A0A087YHP5_POEFO Loading...

Acyl-CoA synthetase short-chain family member 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YHP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 702 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	27.4	Very low	232 Å²	232	163.5 Å²	163.5	100%	1.143	79%	0.791	S	S	*	*				0	110.3	0	-72.3	174	-163.8	0	0	107.3
2	H	27.6	Very low	27.2	Very low	193 Å²	193	164.9 Å²	164.9	89%	0.894	79%	0.79	S	S	*	*				66.3	112.4	117.7	-74.4	32.7	0	0	0	112.5
3	S	27.7	Very low	27.6	Very low	109 Å²	109	160.8 Å²	160.8	76%	0.762	79%	0.785	S	S	*	*				-172.2	124.4	66.2	179	0	0	0	0	107.6
4	Q	29.2	Very low	27.2	Very low	167 Å²	167	157.3 Å²	157.3	78%	0.78	78%	0.783	S	S	*	*				43.5	139.6	83.3	-71.3	-156.3	-9	0	0	114.8
5	I	32	Very low	27.1	Very low	113 Å²	113	152.4 Å²	152.4	58%	0.579	78%	0.777	S	S	*	*			cis	-177	148	0.1	-104.5	171	0	0	0	104.1
6	K	27.7	Very low	26.9	Very low	162 Å²	162	148.8 Å²	148.8	70%	0.704	78%	0.777	S	S	*	*				138.3	132.6	118.4	-117.3	153.9	-153.7	-177.5	0	107.1
7	Y	26.1	Very low	26.8	Very low	193 Å²	193	144.9 Å²	144.9	76%	0.757	77%	0.772	S	S	*	*				-158.6	142	56.9	-111	-86.3	0	0	0	113.3
8	L	25.1	Very low	26.6	Very low	130 Å²	130	150.3 Å²	150.3	68%	0.681	78%	0.78	S	S	*	*			trans	13.2	122.1	154.1	-82	87	0	0	0	120.2
9	V	26	Very low	26.5	Very low	127 Å²	127	146.9 Å²	146.9	77%	0.77	77%	0.771	S	S	*	*				78.2	110.3	67.2	174.6	0	0	0	0	113.9
10	R	24.9	Very low	26.5	Very low	220 Å²	220	149.3 Å²	149.3	83%	0.83	77%	0.774	S	S	*	*				164	134	126.4	-88.9	-169.9	172.4	174.1	-2.2	107.2
11	L	25.6	Very low	26.5	Very low	152 Å²	152	153.4 Å²	153.4	80%	0.796	78%	0.78	S	S	*	*			cis	-158.6	137.5	2.7	-97.8	149.5	0	0	0	106.8
12	K	25.1	Very low	26.4	Very low	181 Å²	181	149.6 Å²	149.6	79%	0.787	76%	0.762	S	S	*	*			trans	-71.7	175.9	161.8	-97.1	-175.6	-178.9	-178	0	110.1
13	P	32.5	Very low	26.4	Very low	112 Å²	112	148.2 Å²	148.2	73%	0.727	76%	0.761	S	S	*	*			cis	-136.5	160.6	24.7	26	0.5	0	0	0	115.2
14	C	22.3	Very low	26.5	Very low	111 Å²	111	150.9 Å²	150.9	75%	0.75	76%	0.761	S	S	*	*				46.6	139.8	81	-98.7	0	0	0	0	112.2
15	A	25.3	Very low	26.6	Very low	84 Å²	84	154.3 Å²	154.3	69%	0.694	77%	0.767	S	S	*	*			cis	-173	137.1	14.8	0	0	0	0	0	103.9
16	A	24.3	Very low	26.5	Very low	94 Å²	94	159.1 Å²	159.1	78%	0.777	78%	0.784	S	S	*	*				90	131.7	100.5	0	0	0	0	0	116
17	A	24.5	Very low	26.6	Very low	84 Å²	84	158.9 Å²	158.9	69%	0.694	79%	0.789	S	S	*	*			trans	91	124.2	132.5	0	0	0	0	0	120
18	R	24	Very low	26.7	Very low	241 Å²	241	161.1 Å²	161.1	91%	0.909	80%	0.796	S	S	*	*			trans	78.6	138.5	145.3	-72.8	170.7	173.1	-173	-1.6	114.9
19	S	23.9	Very low	26.9	Very low	87 Å²	87	160.3 Å²	160.3	61%	0.608	80%	0.802	S	S	*	*			cis	175.8	147.8	4.8	164.3	0	0	0	0	106
20	K	25.9	Very low	27.1	Very low	193 Å²	193	163.6 Å²	163.6	84%	0.839	81%	0.808	S	S	*	*			trans	73.1	145.4	157.5	-76.3	167.5	177.7	-174.2	0	119.3
21	R	26.5	Very low	27.4	Very low	237 Å²	237	158.8 Å²	158.8	89%	0.894	81%	0.807	S	S	*	*			trans	77.7	100.2	-176.1	-55.7	176.5	178.1	-164.8	-1.1	110.7
22	I	28.8	Very low	27.5	Very low	151 Å²	151	156.1 Å²	156.1	77%	0.774	81%	0.807	S	S	*	*				-147.8	101.8	64.3	-72.8	141.7	0	0	0	109
23	L	27.8	Very low	27.7	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	81%	0.812	S	S	*	*			trans	-66.9	149.9	141.6	-138	83.3	0	0	0	105.9
24	E	29.5	Very low	27.7	Very low	166 Å²	166	158.8 Å²	158.8	78%	0.776	82%	0.819	S	S	*	*			trans	86	83.5	-178.7	-53.3	179.8	172.4	0	0	116
25	R	30.7	Very low	28	Very low	239 Å²	239	162.6 Å²	162.6	90%	0.902	83%	0.826	S	S	*	*	S	Bend	trans	173.1	69.7	138.4	-96.5	169.8	179.9	-161	0.7	109.8
26	K	29.5	Very low	28.1	Very low	213 Å²	213	167.8 Å²	167.8	93%	0.926	84%	0.836	S	S	*	*	S	Bend	trans	-166.1	37.4	156.3	-109.1	176.2	-171.9	-173.3	0	111.4
27	L	30.5	Very low	28.3	Very low	158 Å²	158	171.8 Å²	171.8	83%	0.827	84%	0.843	S	S	*	*	S	Bend	trans	-130.2	140.9	158.2	-95	136.2	0	0	0	103.2
28	W	27.8	Very low	28.3	Very low	239 Å²	239	177.6 Å²	177.6	91%	0.905	86%	0.856	S	S	*	*			trans	92.9	66.1	-174.6	-60.8	65.7	0	0	0	116.3
29	S	30.6	Very low	28.3	Very low	114 Å²	114	170 Å²	170	80%	0.797	85%	0.853	S	S	*	*	S	Bend	trans	-153.9	49.7	146.2	47.1	0	0	0	0	110.6
30	H	28.9	Very low	28.3	Very low	195 Å²	195	169.2 Å²	169.2	90%	0.903	86%	0.858	S	S	*	*	S	Bend	trans	-156.4	55.6	163.1	-92.2	-46.7	0	0	0	109.7
31	C	31.3	Very low	28.3	Very low	119 Å²	119	169.8 Å²	169.8	80%	0.804	86%	0.861	S	S	*	*	S	Bend	trans	-162.1	70.9	163.1	-142.5	0	0	0	0	109.5
32	A	29.1	Very low	28.2	Very low	96 Å²	96	163.3 Å²	163.3	79%	0.793	85%	0.852	S	S	*	*			trans	-164.9	49.6	169.5	0	0	0	0	0	111.1
33	V	29.6	Very low	28.1	Very low	147 Å²	147	160.3 Å²	160.3	89%	0.891	85%	0.85	S	S	*	*	S	Bend	trans	-144.2	62.2	163.8	-170.7	0	0	0	0	107.9
34	K	31.3	Very low	28.1	Very low	202 Å²	202	159.6 Å²	159.6	88%	0.878	85%	0.852	S	S	*	*	S	Bend	trans	-164.5	64.3	168.6	-126.7	-174.6	-174.9	-174.8	0	110.2
35	Q	28.8	Very low	28	Very low	192 Å²	192	155 Å²	155	90%	0.897	85%	0.85	S	S	*	*	S	Bend	trans	171.7	85.4	157.9	-103.2	170.9	-5.9	0	0	108.7
36	Q	26.6	Very low	27.8	Very low	193 Å²	193	151.7 Å²	151.7	90%	0.902	85%	0.85	S	S	*	*			trans	179.2	87	155.6	-107.7	178.2	-14.7	0	0	105.3
37	L	28.3	Very low	27.7	Very low	178 Å²	178	151.1 Å²	151.1	93%	0.932	85%	0.847	S	S	*	*			trans	-172.9	59.7	159.6	-98.6	164.1	0	0	0	107.5
38	E	25.8	Very low	27.8	Very low	205 Å²	205	152.2 Å²	152.2	96%	0.958	85%	0.847	S	S	*	*			trans	-137.4	116.9	155.2	-79.4	-168.8	165.5	0	0	106.9
39	G	24	Very low	27.7	Very low	83 Å²	83	145.9 Å²	145.9	86%	0.856	85%	0.846	S	S	*	*			trans	150.8	82.5	174.8	0	0	0	0	0	115
40	G	22.9	Very low	27.6	Very low	69 Å²	69	145.6 Å²	145.6	71%	0.711	85%	0.851	S	S	*	*			trans	104.9	111.7	139	0	0	0	0	0	119.4
41	F	25.8	Very low	27.6	Very low	206 Å²	206	140.7 Å²	140.7	90%	0.904	84%	0.844	S	S	*	*			trans	112.8	116.8	135.3	-83.9	-85.8	0	0	0	121.9
42	S	26	Very low	27.5	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	85%	0.849	S	S	*	*			trans	55.9	105.7	150.6	63.1	0	0	0	0	118.7
43	A	26.8	Very low	27.3	Very low	87 Å²	87	150.9 Å²	150.9	72%	0.719	85%	0.853	S	S	*	*				65.9	96.3	80	0	0	0	0	0	113.5
44	T	27.6	Very low	27.2	Very low	149 Å²	149	153.7 Å²	153.7	91%	0.914	86%	0.856	S	S	*	*				162.9	135.9	111.3	38.7	0	0	0	0	109.9
45	G	25.7	Very low	27	Very low	71 Å²	71	148.2 Å²	148.2	73%	0.732	85%	0.848	S	S	*	*			trans	111.4	119.8	159.5	0	0	0	0	0	116.3
46	L	27.1	Very low	27.1	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	85%	0.846	S	S	*	*			trans	97.4	72.6	154.3	-63.8	140.4	0	0	0	118	H48	L46-H48 PolarHBondContact O-N 3.49Å
47	K	28.7	Very low	27	Very low	200 Å²	200	144 Å²	144	87%	0.87	85%	0.848	S	S	*	*			trans	-73.6	102.8	135.5	-74.6	-178.3	176.2	-179.9	0	108.3
48	H	30.6	Very low	26.7	Very low	181 Å²	181	138.6 Å²	138.6	84%	0.838	84%	0.836	S	S	*	*			trans	164.8	85.3	146.5	-89.8	-24.5	0	0	0	109.8	L46	L46-H48 PolarHBondContact O-N 3.49Å
49	A	27.3	Very low	27	Very low	106 Å²	106	135.6 Å²	135.6	88%	0.876	83%	0.831	S	S	*	*			trans	175.3	69.7	152.3	0	0	0	0	0	109
50	A	27.1	Very low	27.2	Very low	108 Å²	108	140.3 Å²	140.3	89%	0.893	83%	0.831	S	S	*	*			trans	-128.9	61	170.4	0	0	0	0	0	108.7
51	A	30.2	Very low	27.4	Very low	92 Å²	92	149.2 Å²	149.2	76%	0.76	84%	0.843	S	S	*	*	S	Bend	trans	-168.9	75	167.7	0	0	0	0	0	109
52	R	27.7	Very low	27.6	Very low	245 Å²	245	145 Å²	145	93%	0.925	84%	0.838	S	S	*	*	S	Bend	trans	159	84	157.3	-92.4	167.4	-179.7	-167.2	0.8	109
53	E	25.5	Very low	27.8	Very low	184 Å²	184	150.9 Å²	150.9	86%	0.86	85%	0.845	S	S	*	*			trans	-173.2	64	156.3	-109.2	171.7	-163.1	0	0	109.3
54	H	27.2	Very low	27.7	Very low	207 Å²	207	154.4 Å²	154.4	96%	0.958	85%	0.852	S	S	*	*			trans	-136.2	62.6	159.7	-85.6	-50.2	0	0	0	108.4
55	A	28.4	Very low	28.1	Very low	86 Å²	86	158 Å²	158	71%	0.711	85%	0.85	S	S	*	*	S	Bend	trans	-158.5	131.5	160.3	0	0	0	0	0	107.3
56	V	29.6	Very low	28.5	Very low	140 Å²	140	159.1 Å²	159.1	85%	0.848	85%	0.852	S	S	*	*			trans	81.3	81.7	169	-163	0	0	0	0	116.7
57	V	24.2	Very low	29.2	Very low	156 Å²	156	156 Å²	156	95%	0.945	84%	0.844	S	S	*	*			trans	-173.4	127.2	137.3	-178	0	0	0	0	105.3
58	G	23.2	Very low	30.1	Very low	66 Å²	66	152.5 Å²	152.5	68%	0.68	84%	0.835	S	S	*	*			cis	-170.7	130.2	1.6	0	0	0	0	0	108.6	Q60	G58-Q60 PolarHBondContact O-N 2.72Å; G58-Q60 VanDerWaalsContact O-N 3.16Å
59	T	30.8	Very low	31.8	Very low	141 Å²	141	146.1 Å²	146.1	87%	0.865	81%	0.81	S	S	*	*			trans	-53.1	101.5	152.9	36	0	0	0	0	110.1
60	Q	29.3	Very low	34	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	79%	0.786	S	S	*	*			trans	-176.3	96.6	153.6	-110.8	155.5	-14.9	0	0	111.1	G58	G58-Q60 PolarHBondContact O-N 2.72Å; G58-Q60 VanDerWaalsContact O-N 3.16Å
61	R	26.1	Very low	36.4	Very low	255 Å²	255	138.7 Å²	138.7	96%	0.962	75%	0.747	S	S	*	*			trans	-148.8	55.6	144.1	-107.6	179.2	-171.7	-169.1	2.1	109.5
62	C	30.2	Very low	38.7	Very low	117 Å²	117	137 Å²	137	79%	0.791	73%	0.729	S	S	*	*			trans	-83.1	143.8	147.3	-79.6	0	0	0	0	108.1
63	R	30.1	Very low	41.2	Very low	226 Å²	226	132.7 Å²	132.7	85%	0.853	71%	0.713	S	S	*	*			trans	89	99.2	175.8	-59	-179.1	173.6	173.7	-2.1	115.5
64	N	24.3	Very low	43.8	Very low	161 Å²	161	124.6 Å²	124.6	86%	0.861	68%	0.677	S	S	*	*				-145.4	97.8	100.8	-85.8	-20.1	0	0	0	109.8	A66	N64-A66 PolarHBondContact O-N 2.78Å
65	Y	37.4	Very low	46.4	Very low	223 Å²	223	116.5 Å²	116.5	88%	0.875	64%	0.64	S	S	*	*			trans	-69.6	96.8	156.8	-99.4	-101.9	0	0	0	106.9
66	A	34.6	Very low	48.8	Very low	95 Å²	95	114 Å²	114	79%	0.785	62%	0.619	S	S	*	*			trans	177.5	80.8	159.8	0	0	0	0	0	109.2	N64	N64-A66 PolarHBondContact O-N 2.78Å
67	S	40.4	Very low	51.3	Low	103 Å²	103	109.4 Å²	109.4	72%	0.72	59%	0.593	S	S	*	*			trans	-153.5	126.3	154.8	67.4	0	0	0	0	108.3	C69	S67-C69 PolarHBondContact O-N 3.02Å
68	D	48.3	Very low	53.9	Low	127 Å²	127	102.2 Å²	102.2	68%	0.679	55%	0.549	S	S	*	.			trans	-39	98	160.8	-101.7	-33.3	0	0	0	110.2	A70 R73	D68-A70 PolarHBondContact O-N 2.98Å; D68-R73 HydrophobicContact CB-CG 4.08Å
69	C	65.2	Low	56.6	Low	47 Å²	47	105.1 Å²	105.1	32%	0.318	54%	0.54	S	S	.	.			trans	-65.2	142.6	-177.8	61.2	0	0	0	0	108.4	S67 Y71 S72 R73	S67-C69 PolarHBondContact O-N 3.02Å; C69-Y71 CarbonylContact O-C 3.54Å; C69-Y71 PolarHBondContact O-N 3.37Å; C69-S72 PolarHBondContact O-N 2.79Å; C69-S72 VanDerWaalsContact SG-CB 3.57Å; C69-S72 PolarHBondContact SG-N 2.96Å; C69-S72 VanDerWaalsContact SG-N 3.38Å; C69-S72 PolarHBondContact SG-OG 2.93Å; C69-R73 PolarHBondContact O-N 3.23Å; C69-R73 VanDerWaalsContact O-N 3.15Å
70	A	73.8	Confident	59	Low	45 Å²	45	102.5 Å²	102.5	37%	0.372	52%	0.521	S	S	.	.	H	α-helix	trans	-52.8	-33.1	-179.3	0	0	0	0	0	111.6	D68 A74	D68-A70 PolarHBondContact O-N 2.98Å; A70-A74 WeakPolarHBondContact O-CB 3.19Å; A70-A74 PolarHBondContact O-N 3.2Å
71	Y	79	Confident	61.5	Low	14 Å²	14	99.5 Å²	99.5	6%	0.055	51%	0.506	C	S	.	.	H	α-helix	trans	-56.8	-54.7	167.9	174.7	-92.6	0	0	0	114.2	C69 R73 A74 F75 C471 L474 N476 K487 P488	C69-Y71 CarbonylContact O-C 3.54Å; C69-Y71 PolarHBondContact O-N 3.37Å; Y71-R73 VanDerWaalsContact C-N 3.27Å; Y71-R73 PolarHBondContact O-N 2.99Å; Y71-A74 PolarHBondContact O-N 3.1Å; Y71-F75 VanDerWaalsContact O-CB 3.29Å; Y71-F75 WeakPolarHBondContact O-CB 3.42Å; Y71-F75 PolarHBondContact O-N 3.34Å; Y71-C471 HydrophobicContact CD2-CB 4.23Å; Y71-L474 HydrophobicContact CD2-CD1 4.26Å; Y71-L474 PolarHBondContact N-O 2.85Å; Y71-N476 WeakPolarHBondContact CB-OD1 3.39Å; Y71-N476 VanDerWaalsContact CD2-ND2 3.31Å; Y71-N476 WeakPolarHBondContact CD2-ND2 3.28Å; Y71-N476 VanDerWaalsContact CG-OD1 3.29Å; Y71-K487 HydrophobicContact CE1-CB 4.34Å; Y71-K487 HydrophobicContact CE1-CD 3.97Å; Y71-K487 HydrophobicContact CE2-CB 4.38Å; Y71-K487 WeakPolarHBondContact OH-CB 3.22Å; Y71-P488 PolarHBondContact OH-O 3.43Å
72	S	77.9	Confident	64.1	Low	56 Å²	56	89 Å²	89	39%	0.392	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-37.1	-179.1	-72.8	0	0	0	0	112.2	C69 A76	C69-S72 PolarHBondContact O-N 2.79Å; C69-S72 VanDerWaalsContact SG-CB 3.57Å; C69-S72 PolarHBondContact SG-N 2.96Å; C69-S72 VanDerWaalsContact SG-N 3.38Å; C69-S72 PolarHBondContact SG-OG 2.93Å; S72-A76 VanDerWaalsContact O-CB 3.24Å; S72-A76 WeakPolarHBondContact O-CB 3.44Å; S72-A76 PolarHBondContact O-N 2.99Å
73	R	80.9	Confident	66.5	Low	155 Å²	155	88.3 Å²	88.3	59%	0.585	46%	0.456	S	S	*	.	H	α-helix	trans	-68.3	-45.4	175.4	-69.3	-171.1	-67	166.1	2.1	112.3	D68 C69 Y71 F75 A76 S77	D68-R73 HydrophobicContact CB-CG 4.08Å; C69-R73 PolarHBondContact O-N 3.23Å; C69-R73 VanDerWaalsContact O-N 3.15Å; Y71-R73 VanDerWaalsContact C-N 3.27Å; Y71-R73 PolarHBondContact O-N 2.99Å; R73-F75 VanDerWaalsContact C-N 3.34Å; R73-A76 PolarHBondContact O-N 3.44Å; R73-S77 VanDerWaalsContact O-CB 3.27Å; R73-S77 WeakPolarHBondContact O-CB 3.45Å; R73-S77 PolarHBondContact O-N 3.03Å
74	A	78.4	Confident	69	Low	14 Å²	14	81.5 Å²	81.5	12%	0.116	44%	0.44	C	S	.	.	H	α-helix	trans	-63.6	-41	176.6	0	0	0	0	0	111.5	A70 Y71 S77 A78 F85 L474 P490	A70-A74 WeakPolarHBondContact O-CB 3.19Å; A70-A74 PolarHBondContact O-N 3.2Å; Y71-A74 PolarHBondContact O-N 3.1Å; A74-S77 PolarHBondContact O-N 3.15Å; A74-A78 VanDerWaalsContact O-CB 3.31Å; A74-A78 WeakPolarHBondContact O-CB 3.43Å; A74-A78 PolarHBondContact O-N 3.31Å; A74-F85 HydrophobicContact CB-CE2 4.28Å; A74-L474 HydrophobicContact CB-CD1 4.23Å; A74-L474 HydrophobicContact CB-CD2 4.44Å; A74-P490 HydrophobicContact CB-CG 4.21Å
75	F	81.4	Confident	71.9	Confident	37 Å²	37	74.5 Å²	74.5	16%	0.162	40%	0.402	C	S	.	.	H	α-helix	trans	-65.5	-47.3	177	-171.2	-93.1	0	0	0	111.8	Y71 R73 S77 A78 R79 P488 P490	Y71-F75 VanDerWaalsContact O-CB 3.29Å; Y71-F75 WeakPolarHBondContact O-CB 3.42Å; Y71-F75 PolarHBondContact O-N 3.34Å; R73-F75 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.14Å; F75-A78 PolarHBondContact O-N 2.93Å; F75-R79 WeakPolarHBondContact O-CB 3.37Å; F75-R79 PolarHBondContact O-N 3.44Å; F75-P488 WeakPolarHBondContact CD2-O 3.2Å; F75-P488 HydrophobicContact CE2-CB 3.79Å; F75-P488 WeakPolarHBondContact CE2-O 3.4Å; F75-P488 HydrophobicContact CZ-CB 4.22Å; F75-P490 HydrophobicContact CB-CG 4.33Å; F75-P490 HydrophobicContact CD2-CG 4.4Å
76	A	80.8	Confident	74.1	Confident	33 Å²	33	64 Å²	64	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-42.2	176	0	0	0	0	0	111.8	S72 R73 R79 D80	S72-A76 VanDerWaalsContact O-CB 3.24Å; S72-A76 WeakPolarHBondContact O-CB 3.44Å; S72-A76 PolarHBondContact O-N 2.99Å; R73-A76 PolarHBondContact O-N 3.44Å; A76-R79 PolarHBondContact O-N 3.17Å; A76-D80 VanDerWaalsContact O-CB 3.31Å; A76-D80 WeakPolarHBondContact O-CB 3.46Å; A76-D80 PolarHBondContact O-N 3.25Å
77	S	81	Confident	76.5	Confident	44 Å²	44	59.8 Å²	59.8	31%	0.308	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-44.3	176.9	-178.8	0	0	0	0	112.2	R73 A74 F75 R79 H81	R73-S77 VanDerWaalsContact O-CB 3.27Å; R73-S77 WeakPolarHBondContact O-CB 3.45Å; R73-S77 PolarHBondContact O-N 3.03Å; A74-S77 PolarHBondContact O-N 3.15Å; F75-S77 PolarHBondContact O-N 3.14Å; S77-R79 VanDerWaalsContact C-N 3.3Å; S77-R79 PolarHBondContact O-N 3.08Å; S77-H81 CarbonylContact O-C 3.59Å; S77-H81 WeakPolarHBondContact O-CA 3.45Å; S77-H81 PolarHBondContact O-N 3.2Å
78	A	79.6	Confident	78.6	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-31.6	176.4	0	0	0	0	0	112.8	A74 F75 P82 F85 P490	A74-A78 VanDerWaalsContact O-CB 3.31Å; A74-A78 WeakPolarHBondContact O-CB 3.43Å; A74-A78 PolarHBondContact O-N 3.31Å; F75-A78 PolarHBondContact O-N 2.93Å; A78-P82 WeakPolarHBondContact O-CB 3.27Å; A78-F85 HydrophobicContact CB-CD1 3.8Å; A78-F85 HydrophobicContact CB-CE1 4Å; A78-F85 HydrophobicContact CB-CG 4.11Å; A78-F85 HydrophobicContact CB-CZ 4.48Å; A78-P490 HydrophobicContact CB-CB 3.82Å
79	R	79	Confident	80.4	Confident	128 Å²	128	55.7 Å²	55.7	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-76.6	-48.3	177.6	-174.5	-168.2	68.5	-162.9	-7.3	112.5	F75 A76 S77	F75-R79 WeakPolarHBondContact O-CB 3.37Å; F75-R79 PolarHBondContact O-N 3.44Å; A76-R79 PolarHBondContact O-N 3.17Å; S77-R79 VanDerWaalsContact C-N 3.3Å; S77-R79 PolarHBondContact O-N 3.08Å
80	D	80.8	Confident	81.3	Confident	86 Å²	86	53.5 Å²	53.5	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-89.3	-29.5	-169.9	-59.4	-22.4	0	0	0	111.9	A76	A76-D80 VanDerWaalsContact O-CB 3.31Å; A76-D80 WeakPolarHBondContact O-CB 3.46Å; A76-D80 PolarHBondContact O-N 3.25Å
81	H	82.3	Confident	81.9	Confident	119 Å²	119	58.1 Å²	58.1	55%	0.551	29%	0.292	S	S	*	.			trans	-136.3	60.4	-178.1	-59.9	86.4	0	0	0	112.2	S77 E83 T84 F85	S77-H81 CarbonylContact O-C 3.59Å; S77-H81 WeakPolarHBondContact O-CA 3.45Å; S77-H81 PolarHBondContact O-N 3.2Å; H81-E83 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact O-N 3.44Å; H81-T84 PolarHBondContact O-N 2.75Å; H81-F85 PolarHBondContact O-N 3.08Å; H81-F85 VanDerWaalsContact O-N 3.14Å
82	P	80	Confident	82.1	Confident	34 Å²	34	61.4 Å²	61.4	22%	0.221	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-36.9	-174.6	21.8	-33	0	0	0	113.3	A78 T84 W86 W113	A78-P82 WeakPolarHBondContact O-CB 3.27Å; P82-T84 PolarHBondContact O-N 3.4Å; P82-W86 WeakPolarHBondContact O-CB 3.42Å; P82-W86 PolarHBondContact O-N 2.95Å; P82-W113 HydrophobicContact CB-CH2 4.25Å
83	E	81.1	Confident	82.5	Confident	104 Å²	104	59.1 Å²	59.1	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-38.2	-179.9	-72.9	-175.6	-159.2	0	0	113.6	H81 G87 T102 L103	H81-E83 VanDerWaalsContact C-N 3.29Å; H81-E83 PolarHBondContact O-N 3.44Å; E83-G87 PolarHBondContact O-N 3.17Å; E83-G87 VanDerWaalsContact O-N 3.1Å; E83-T102 WeakPolarHBondContact O-CG2 3.34Å; E83-L103 HydrophobicContact CG-CB 3.68Å; E83-L103 HydrophobicContact CG-CD2 4.45Å
84	T	82.8	Confident	82.8	Confident	82 Å²	82	53.5 Å²	53.5	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-75.7	-47.3	-179.5	-53.4	0	0	0	0	109.7	H81 P82 G87 E88	H81-T84 PolarHBondContact O-N 2.75Å; P82-T84 PolarHBondContact O-N 3.4Å; T84-G87 PolarHBondContact O-N 3.08Å; T84-E88 WeakPolarHBondContact O-CG 3.43Å; T84-E88 PolarHBondContact O-N 3.4Å
85	F	85.1	Confident	83.3	Confident	15 Å²	15	55 Å²	55	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-52.3	-179.7	-176.5	-96.9	0	0	0	112.1	A74 A78 H81 G87 E88 M89 W331 P490	A74-F85 HydrophobicContact CB-CE2 4.28Å; A78-F85 HydrophobicContact CB-CD1 3.8Å; A78-F85 HydrophobicContact CB-CE1 4Å; A78-F85 HydrophobicContact CB-CG 4.11Å; A78-F85 HydrophobicContact CB-CZ 4.48Å; H81-F85 PolarHBondContact O-N 3.08Å; H81-F85 VanDerWaalsContact O-N 3.14Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-G87 PolarHBondContact O-N 3.48Å; F85-E88 PolarHBondContact O-N 3.49Å; F85-M89 HydrophobicContact CE1-CG 4.34Å; F85-M89 WeakPolarHBondContact O-CG 3.23Å; F85-M89 PolarHBondContact O-N 3.21Å; F85-M89 VanDerWaalsContact O-N 3.15Å; F85-W331 HydrophobicContact CZ-CZ2 4.3Å; F85-W331 AromaticContact CZ-NE1 3.67Å; F85-P490 HydrophobicContact CZ-CB 4.42Å
86	W	84.6	Confident	83.5	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-71.9	-26.8	179.7	-68.3	118.1	0	0	0	112.9	P82 M89 A90 T102 W113 F114 V327 M328 W331 P519 P520	P82-W86 WeakPolarHBondContact O-CB 3.42Å; P82-W86 PolarHBondContact O-N 2.95Å; W86-M89 HydrophobicContact CE3-CB 4.26Å; W86-M89 HydrophobicContact CE3-CG 4.48Å; W86-M89 PolarHBondContact O-N 3.11Å; W86-A90 VanDerWaalsContact O-CB 3.25Å; W86-A90 WeakPolarHBondContact O-CB 3.06Å; W86-A90 PolarHBondContact O-N 2.83Å; W86-T102 HydrophobicContact CB-CG2 4.26Å; W86-W113 HydrophobicContact CB-CZ3 4.06Å; W86-W113 AromaticContact CD1-CH2 3.61Å; W86-W113 AromaticContact CD1-CZ3 3.57Å; W86-W113 HydrophobicContact CG-CH2 4.44Å; W86-W113 HydrophobicContact CG-CZ3 4.03Å; W86-F114 HydrophobicContact CB-CZ 4.19Å; W86-V327 HydrophobicContact CE3-CG1 4.13Å; W86-M328 HydrophobicContact CH2-CE 3.31Å; W86-M328 HydrophobicContact CH2-SD 3.63Å; W86-M328 HydrophobicContact CZ2-CE 3.62Å; W86-M328 HydrophobicContact CZ2-SD 4.49Å; W86-M328 HydrophobicContact CZ3-CE 4.16Å; W86-M328 HydrophobicContact CZ3-SD 4.22Å; W86-W331 HydrophobicContact CH2-CD2 4.44Å; W86-W331 HydrophobicContact CZ3-CB 4.46Å; W86-W331 HydrophobicContact CZ3-CG 4.26Å; W86-P519 HydrophobicContact CZ2-CB 4.18Å; W86-P520 HydrophobicContact CB-CG 4.49Å; W86-P520 HydrophobicContact CD2-CG 3.38Å; W86-P520 VanDerWaalsContact CE2-CD 3.46Å; W86-P520 HydrophobicContact CE3-CG 3.59Å; W86-P520 HydrophobicContact CG-CG 3.79Å; W86-P520 HydrophobicContact CH2-CG 4.27Å; W86-P520 HydrophobicContact CZ2-CG 4.07Å; W86-P520 HydrophobicContact CZ3-CG 4.03Å
87	G	83.4	Confident	83.8	Confident	8 Å²	8	60.3 Å²	60.3	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-45.3	172	0	0	0	0	0	112.5	E83 T84 F85 A90 Q91 W99	E83-G87 PolarHBondContact O-N 3.17Å; E83-G87 VanDerWaalsContact O-N 3.1Å; T84-G87 PolarHBondContact O-N 3.08Å; F85-G87 VanDerWaalsContact C-N 3.31Å; F85-G87 PolarHBondContact O-N 3.48Å; G87-A90 PolarHBondContact O-N 3.2Å; G87-Q91 PolarHBondContact O-N 3.35Å; G87-W99 WeakPolarHBondContact O-CZ2 3.38Å
88	E	86	Confident	84	Confident	101 Å²	101	63 Å²	63	47%	0.472	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-43.6	174.7	-71.3	177.2	-176.4	0	0	111.5	T84 F85 A90 Q91	T84-E88 WeakPolarHBondContact O-CG 3.43Å; T84-E88 PolarHBondContact O-N 3.4Å; F85-E88 PolarHBondContact O-N 3.49Å; E88-A90 VanDerWaalsContact C-N 3.3Å; E88-A90 PolarHBondContact O-N 3.06Å; E88-Q91 WeakPolarHBondContact O-CB 3.32Å; E88-Q91 PolarHBondContact O-N 2.88Å
89	M	85.1	Confident	84.2	Confident	43 Å²	43	65.3 Å²	65.3	21%	0.212	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-33.1	178.5	-63.4	-52.6	116.3	0	0	112.4	F85 W86 Q91 N92 V327 W331	F85-M89 HydrophobicContact CE1-CG 4.34Å; F85-M89 WeakPolarHBondContact O-CG 3.23Å; F85-M89 PolarHBondContact O-N 3.21Å; F85-M89 VanDerWaalsContact O-N 3.15Å; W86-M89 HydrophobicContact CE3-CB 4.26Å; W86-M89 HydrophobicContact CE3-CG 4.48Å; W86-M89 PolarHBondContact O-N 3.11Å; M89-Q91 VanDerWaalsContact C-N 3.31Å; M89-Q91 PolarHBondContact O-N 2.68Å; M89-N92 WeakPolarHBondContact O-CB 3.38Å; M89-N92 PolarHBondContact O-N 3.46Å; M89-V327 HydrophobicContact CB-CG1 4Å; M89-W331 VanDerWaalsContact SD-CD1 3.51Å
90	A	84.6	Confident	84.4	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.9	-25.9	177.1	0	0	0	0	0	113.8	W86 G87 E88 N92 I93 W95 W99 F114 V327	W86-A90 VanDerWaalsContact O-CB 3.25Å; W86-A90 WeakPolarHBondContact O-CB 3.06Å; W86-A90 PolarHBondContact O-N 2.83Å; G87-A90 PolarHBondContact O-N 3.2Å; E88-A90 VanDerWaalsContact C-N 3.3Å; E88-A90 PolarHBondContact O-N 3.06Å; A90-N92 PolarHBondContact O-N 2.82Å; A90-I93 WeakPolarHBondContact O-CB 3.26Å; A90-I93 PolarHBondContact O-N 3.43Å; A90-W95 HydrophobicContact CB-CZ2 4.06Å; A90-W95 PolarHBondContact O-NE1 3.36Å; A90-W99 HydrophobicContact CB-CH2 3.49Å; A90-W99 VanDerWaalsContact CB-CH2 3.49Å; A90-W99 HydrophobicContact CB-CZ2 3.88Å; A90-W99 HydrophobicContact CB-CZ3 3.85Å; A90-F114 HydrophobicContact CB-CD1 3.94Å; A90-F114 HydrophobicContact CB-CE1 3.25Å; A90-F114 HydrophobicContact CB-CZ 3.69Å; A90-V327 HydrophobicContact CB-CG1 4.45Å; A90-V327 HydrophobicContact CB-CG2 3.98Å
91	Q	85.3	Confident	84.5	Confident	143 Å²	143	65.1 Å²	65.1	67%	0.668	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.3	173.2	-67.1	177.5	3.1	0	0	112.4	G87 E88 M89 I93 W99	G87-Q91 PolarHBondContact O-N 3.35Å; E88-Q91 WeakPolarHBondContact O-CB 3.32Å; E88-Q91 PolarHBondContact O-N 2.88Å; M89-Q91 VanDerWaalsContact C-N 3.31Å; M89-Q91 PolarHBondContact O-N 2.68Å; Q91-I93 PolarHBondContact O-N 2.88Å; Q91-W99 HydrophobicContact CG-CH2 4.04Å
92	N	83.3	Confident	84.3	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.444	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.7	176.3	-65.2	-45.4	0	0	0	113	M89 A90 R128 K330	M89-N92 WeakPolarHBondContact O-CB 3.38Å; M89-N92 PolarHBondContact O-N 3.46Å; A90-N92 PolarHBondContact O-N 2.82Å; N92-R128 VanDerWaalsContact O-CZ 3.29Å; N92-R128 PolarHBondContact O-NH1 3.27Å; N92-R128 PolarHBondContact O-NH2 2.97Å; N92-K330 HydrophobicContact CB-CD 4.49Å; N92-K330 PolarHBondContact O-NZ 3.19Å
93	I	87	Confident	84.2	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.036	31%	0.308	C	S	.	.	S	Bend	trans	-98.6	148.9	175.2	-62.6	-63.3	0	0	0	109.5	A90 Q91 W95 L119 N124 V327 K330	A90-I93 WeakPolarHBondContact O-CB 3.26Å; A90-I93 PolarHBondContact O-N 3.43Å; Q91-I93 PolarHBondContact O-N 2.88Å; I93-W95 HydrophobicContact CG2-CZ2 4.41Å; I93-W95 PolarHBondContact O-NE1 3.45Å; I93-L119 HydrophobicContact CG2-CD1 4.15Å; I93-N124 WeakPolarHBondContact CG2-OD1 3.34Å; I93-V327 HydrophobicContact CG1-CG2 3.9Å; I93-K330 HydrophobicContact CD1-CB 4.13Å; I93-K330 HydrophobicContact CD1-CD 3.48Å; I93-K330 VanDerWaalsContact CD1-CD 3.48Å; I93-K330 HydrophobicContact CD1-CG 4.44Å; I93-K330 HydrophobicContact CG1-CD 4.46Å
94	S	87.2	Confident	83.9	Confident	37 Å²	37	57.3 Å²	57.3	26%	0.259	30%	0.297	S	S	.	.			trans	-86.9	124.3	175.4	-61.8	0	0	0	0	110	N124 R128	S94-N124 WeakPolarHBondContact CA-OD1 3.4Å; S94-N124 WeakPolarHBondContact CB-OD1 3.25Å; S94-N124 PolarHBondContact N-OD1 3.16Å; S94-N124 PolarHBondContact O-ND2 3.09Å; S94-N124 PolarHBondContact O-OD1 2.95Å; S94-R128 WeakPolarHBondContact OG-CD 3.47Å
95	W	88.4	Confident	83.4	Confident	46 Å²	46	56.6 Å²	56.6	17%	0.174	29%	0.292	C	S	.	.			trans	-114.6	143.1	-178.7	-58.3	82.7	0	0	0	109.8	A90 I93 W99 F114 L119 A323 V327	A90-W95 HydrophobicContact CB-CZ2 4.06Å; A90-W95 PolarHBondContact O-NE1 3.36Å; I93-W95 HydrophobicContact CG2-CZ2 4.41Å; I93-W95 PolarHBondContact O-NE1 3.45Å; W95-W99 AromaticContact CD1-CZ3 3.82Å; W95-W99 AromaticContact CD2-CE3 3.99Å; W95-W99 HydrophobicContact CD2-CE3 3.99Å; W95-W99 HydrophobicContact CD2-CZ3 4.1Å; W95-W99 AromaticContact CE2-CE3 3.74Å; W95-W99 AromaticContact CE2-CZ3 3.57Å; W95-W99 HydrophobicContact CE3-CE3 4.36Å; W95-W99 HydrophobicContact CG-CE3 4.45Å; W95-W99 HydrophobicContact CG-CZ3 4.27Å; W95-W99 HydrophobicContact CH2-CE3 4.27Å; W95-W99 AromaticContact CZ2-CE3 3.92Å; W95-W99 HydrophobicContact CZ2-CE3 3.92Å; W95-W99 AromaticContact CZ2-CZ3 3.96Å; W95-W99 HydrophobicContact CZ2-CZ3 3.96Å; W95-W99 HydrophobicContact CZ3-CE3 4.49Å; W95-W99 AromaticContact NE1-CZ3 3.41Å; W95-F114 HydrophobicContact CH2-CB 3.88Å; W95-F114 HydrophobicContact CH2-CD1 4.41Å; W95-F114 HydrophobicContact CH2-CD2 4.36Å; W95-F114 AromaticContact CH2-CG 3.96Å; W95-F114 HydrophobicContact CH2-CG 3.96Å; W95-F114 HydrophobicContact CZ3-CB 4.35Å; W95-L119 HydrophobicContact CD2-CB 4.37Å; W95-L119 HydrophobicContact CE3-CB 3.84Å; W95-L119 HydrophobicContact CE3-CD2 4.32Å; W95-L119 HydrophobicContact CE3-CG 4.44Å; W95-L119 HydrophobicContact CH2-CD1 4.28Å; W95-L119 HydrophobicContact CH2-CD2 4.5Å; W95-L119 HydrophobicContact CZ3-CB 4.19Å; W95-L119 HydrophobicContact CZ3-CD1 4.21Å; W95-L119 HydrophobicContact CZ3-CD2 3.83Å; W95-L119 HydrophobicContact CZ3-CG 4.28Å; W95-A323 HydrophobicContact CH2-CB 3.7Å; W95-A323 HydrophobicContact CZ3-CB 4.09Å; W95-V327 HydrophobicContact CZ2-CG2 4.3Å
96	F	86.3	Confident	82.4	Confident	93 Å²	93	63.5 Å²	63.5	41%	0.408	32%	0.324	S	S	.	.	S	Bend	trans	-79	-43.2	169.4	-66.2	-78.4	0	0	0	110.5	K118 N120 F123 C294 P296	F96-K118 PolarHBondContact N-O 3.12Å; F96-N120 HydrophobicContact CE2-CB 3.78Å; F96-F123 HydrophobicContact CZ-CB 4.34Å; F96-F123 HydrophobicContact CZ-CD1 4.38Å; F96-F123 HydrophobicContact CZ-CD2 4.24Å; F96-F123 HydrophobicContact CZ-CG 4.05Å; F96-C294 HydrophobicContact CZ-CB 4.33Å; F96-P296 HydrophobicContact CB-CB 4.42Å; F96-P296 HydrophobicContact CD2-CB 4.1Å; F96-P296 HydrophobicContact CG-CB 4.29Å
97	E	87.9	Confident	81.6	Confident	88 Å²	88	65.6 Å²	65.6	41%	0.411	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-128.1	126.9	171.4	-68.8	173.5	-157.3	0	0	108.2	G117 K118	E97-G117 WeakPolarHBondContact O-CA 3.47Å; E97-K118 HydrophobicContact CB-CB 4.09Å; E97-K118 HydrophobicContact CB-CD 4.49Å; E97-K118 HydrophobicContact CB-CG 4.31Å; E97-K118 HydrophobicContact CG-CD 4.34Å; E97-K118 PolarHBondContact N-O 3.19Å; E97-K118 PolarHBondContact O-N 3Å; E97-K118 IonicContact OE1-NZ 3.24Å; E97-K118 PolarHBondContact OE1-NZ 2.78Å; E97-K118 WeakPolarHBondContact OE2-CD 3.26Å; E97-K118 WeakPolarHBondContact OE2-CE 3.22Å; E97-K118 IonicContact OE2-NZ 3.85Å; E97-K118 PolarHBondContact OE2-NZ 2.97Å
98	P	84.4	Confident	80.7	Confident	102 Å²	102	68.6 Å²	68.6	66%	0.662	35%	0.354	S	S	*	.			trans	-67.1	156.2	178.3	29.1	-34	0	0	0	111
99	W	84.3	Confident	79.7	Confident	51 Å²	51	65 Å²	65	19%	0.193	34%	0.338	C	S	.	.			trans	-74.7	152.2	179.1	62.7	94.8	0	0	0	111.9	G87 A90 Q91 W95 T102 F114	G87-W99 WeakPolarHBondContact O-CZ2 3.38Å; A90-W99 HydrophobicContact CB-CH2 3.49Å; A90-W99 VanDerWaalsContact CB-CH2 3.49Å; A90-W99 HydrophobicContact CB-CZ2 3.88Å; A90-W99 HydrophobicContact CB-CZ3 3.85Å; Q91-W99 HydrophobicContact CG-CH2 4.04Å; W95-W99 AromaticContact CD1-CZ3 3.82Å; W95-W99 AromaticContact CD2-CE3 3.99Å; W95-W99 HydrophobicContact CD2-CE3 3.99Å; W95-W99 HydrophobicContact CD2-CZ3 4.1Å; W95-W99 AromaticContact CE2-CE3 3.74Å; W95-W99 AromaticContact CE2-CZ3 3.57Å; W95-W99 HydrophobicContact CE3-CE3 4.36Å; W95-W99 HydrophobicContact CG-CE3 4.45Å; W95-W99 HydrophobicContact CG-CZ3 4.27Å; W95-W99 HydrophobicContact CH2-CE3 4.27Å; W95-W99 AromaticContact CZ2-CE3 3.92Å; W95-W99 HydrophobicContact CZ2-CE3 3.92Å; W95-W99 AromaticContact CZ2-CZ3 3.96Å; W95-W99 HydrophobicContact CZ2-CZ3 3.96Å; W95-W99 HydrophobicContact CZ3-CE3 4.49Å; W95-W99 AromaticContact NE1-CZ3 3.41Å; W99-T102 PolarHBondContact NE1-OG1 3.49Å; W99-T102 VanDerWaalsContact NE1-OG1 3.11Å; W99-F114 HydrophobicContact CB-CB 4.07Å; W99-F114 AromaticContact CD2-CD1 3.97Å; W99-F114 HydrophobicContact CD2-CD1 3.97Å; W99-F114 HydrophobicContact CE3-CD1 4.43Å; W99-F114 HydrophobicContact CG-CB 4.31Å; W99-F114 HydrophobicContact CG-CD1 4.07Å
100	S	82.7	Confident	79	Confident	95 Å²	95	65 Å²	65	66%	0.664	34%	0.337	S	S	*	.	S	Bend	trans	-93	-31.3	176.3	60.1	0	0	0	0	112.7	V115	S100-V115 PolarHBondContact N-O 2.96Å; S100-V115 PolarHBondContact OG-O 2.91Å; S100-V115 VanDerWaalsContact OG-O 3.09Å
101	K	82	Confident	78.5	Confident	116 Å²	116	65.8 Å²	65.8	50%	0.504	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.7	175.2	-66.8	-174.9	179.9	-179.5	0	110.8	F114 V115	K101-F114 CarbonylContact O-C 3.42Å; K101-F114 WeakPolarHBondContact O-CA 3.12Å; K101-V115 HydrophobicContact CB-CB 4.43Å; K101-V115 PolarHBondContact N-O 3.17Å; K101-V115 PolarHBondContact O-N 2.88Å
102	T	77.9	Confident	78.1	Confident	19 Å²	19	61.3 Å²	61.3	12%	0.117	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-41.5	-179.4	-56	0	0	0	0	112.1	E83 W86 W99 W113 F114	E83-T102 WeakPolarHBondContact O-CG2 3.34Å; W86-T102 HydrophobicContact CB-CG2 4.26Å; W99-T102 PolarHBondContact NE1-OG1 3.49Å; W99-T102 VanDerWaalsContact NE1-OG1 3.11Å; T102-W113 HydrophobicContact CG2-CE3 4.42Å; T102-W113 HydrophobicContact CG2-CZ3 4.46Å; T102-W113 CarbonylContact O-C 3.57Å; T102-W113 WeakPolarHBondContact O-CA 3.45Å; T102-F114 HydrophobicContact CG2-CD1 4.14Å; T102-F114 HydrophobicContact CG2-CE1 3.71Å; T102-F114 HydrophobicContact CG2-CZ 4.41Å; T102-F114 PolarHBondContact O-N 2.92Å
103	L	78.6	Confident	78.1	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.7	177.5	180	60.3	0	0	0	109.2	E83 V105 P111 W113 P517	E83-L103 HydrophobicContact CG-CB 3.68Å; E83-L103 HydrophobicContact CG-CD2 4.45Å; L103-V105 HydrophobicContact CD1-CG2 3.79Å; L103-V105 HydrophobicContact CD2-CG2 3.99Å; L103-V105 HydrophobicContact CG-CG2 3.75Å; L103-P111 HydrophobicContact CD1-CB 3.97Å; L103-W113 HydrophobicContact CB-CE3 4.24Å; L103-W113 HydrophobicContact CB-CZ3 4.07Å; L103-W113 HydrophobicContact CD1-CD2 3.83Å; L103-W113 HydrophobicContact CD1-CE3 4.01Å; L103-W113 HydrophobicContact CD1-CG 4.46Å; L103-W113 HydrophobicContact CD1-CH2 3.96Å; L103-W113 HydrophobicContact CD1-CZ2 3.77Å; L103-W113 HydrophobicContact CD1-CZ3 4.08Å; L103-W113 HydrophobicContact CD2-CH2 4.08Å; L103-W113 HydrophobicContact CD2-CZ2 4.45Å; L103-W113 HydrophobicContact CD2-CZ3 4.42Å; L103-W113 HydrophobicContact CG-CH2 4.41Å; L103-W113 HydrophobicContact CG-CZ3 4.41Å; L103-P517 HydrophobicContact CD2-CG 4.29Å
104	H	75.9	Confident	77.9	Confident	55 Å²	55	58 Å²	58	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	111.1	170.2	-167.3	-107.2	0	0	0	109.1	E106 N112 V115	H104-E106 WeakPolarHBondContact CE1-CG 3.34Å; H104-E106 IonicContact CE1-OE1 2.84Å; H104-E106 PolarHBondContact CE1-OE1 3.25Å; H104-E106 VanDerWaalsContact CE1-OE1 3.24Å; H104-E106 IonicContact ND1-OE1 3.23Å; H104-N112 HydrophobicContact CB-CB 4.31Å; H104-N112 PolarHBondContact N-O 2.99Å; H104-N112 PolarHBondContact O-N 3.37Å; H104-V115 HydrophobicContact CB-CG2 3.6Å
105	V	71.6	Confident	77.7	Confident	67 Å²	67	58.5 Å²	58.5	41%	0.406	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	97	179.7	-175.2	0	0	0	0	108.3	L103 P108 P111	L103-V105 HydrophobicContact CD1-CG2 3.79Å; L103-V105 HydrophobicContact CD2-CG2 3.99Å; L103-V105 HydrophobicContact CG-CG2 3.75Å; V105-P108 HydrophobicContact CG1-CB 4.44Å; V105-P108 HydrophobicContact CG1-CG 4.3Å; V105-P111 HydrophobicContact CG2-CB 4.49Å
106	E	63.8	Low	77.3	Confident	159 Å²	159	58.4 Å²	58.4	74%	0.743	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	-41.6	164.1	-68.7	-177.9	172.5	0	0	110.3	H104	H104-E106 WeakPolarHBondContact CE1-CG 3.34Å; H104-E106 IonicContact CE1-OE1 2.84Å; H104-E106 PolarHBondContact CE1-OE1 3.25Å; H104-E106 VanDerWaalsContact CE1-OE1 3.24Å; H104-E106 IonicContact ND1-OE1 3.23Å
107	D	68.1	Low	77.3	Confident	46 Å²	46	54 Å²	54	25%	0.246	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.2	173.2	-172.4	-22.2	0	0	0	107.8	V109 F110 K534	D107-V109 PolarHBondContact O-N 2.94Å; D107-V109 VanDerWaalsContact OD1-CB 3.27Å; D107-V109 WeakPolarHBondContact OD1-CB 3.49Å; D107-V109 WeakPolarHBondContact OD1-CG2 3.5Å; D107-V109 PolarHBondContact OD1-N 3.12Å; D107-F110 HydrophobicContact CB-CD2 4.47Å; D107-F110 CarbonylContact O-C 3.26Å; D107-F110 VanDerWaalsContact O-C 3.26Å; D107-F110 PolarHBondContact O-N 3.41Å; D107-K534 WeakPolarHBondContact OD2-CE 3.38Å; D107-K534 IonicContact OD2-NZ 3.39Å; D107-K534 PolarHBondContact OD2-NZ 2.87Å
108	P	63.9	Low	77.3	Confident	70 Å²	70	53.2 Å²	53.2	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.3	175.7	-24.8	33.8	0	0	0	113.7	V105 L516	V105-P108 HydrophobicContact CG1-CB 4.44Å; V105-P108 HydrophobicContact CG1-CG 4.3Å; P108-L516 HydrophobicContact CB-CD1 4.29Å
109	V	66.1	Low	77.6	Confident	25 Å²	25	48.4 Å²	48.4	15%	0.152	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-26.8	177.7	-178.4	0	0	0	0	112.3	D107 K534 F538	D107-V109 PolarHBondContact O-N 2.94Å; D107-V109 VanDerWaalsContact OD1-CB 3.27Å; D107-V109 WeakPolarHBondContact OD1-CB 3.49Å; D107-V109 WeakPolarHBondContact OD1-CG2 3.5Å; D107-V109 PolarHBondContact OD1-N 3.12Å; V109-K534 HydrophobicContact CG1-CG 3.98Å; V109-F538 HydrophobicContact CB-CD1 4.36Å; V109-F538 HydrophobicContact CB-CE1 4.4Å; V109-F538 HydrophobicContact CB-CG 4.45Å; V109-F538 HydrophobicContact CG1-CB 4.5Å; V109-F538 HydrophobicContact CG1-CD1 3.98Å; V109-F538 HydrophobicContact CG1-CD2 3.51Å; V109-F538 HydrophobicContact CG1-CE1 3.97Å; V109-F538 HydrophobicContact CG1-CE2 3.57Å; V109-F538 HydrophobicContact CG1-CG 3.73Å; V109-F538 HydrophobicContact CG1-CZ 3.79Å; V109-F538 HydrophobicContact CG2-CB 4.23Å; V109-F538 HydrophobicContact CG2-CD1 3.91Å; V109-F538 HydrophobicContact CG2-CE1 4.39Å; V109-F538 HydrophobicContact CG2-CG 4.01Å
110	F	70.3	Confident	77.9	Confident	43 Å²	43	46 Å²	46	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	72.9	-179.7	-59.5	-56	0	0	0	111.5	D107 N112 L524 Q530 F533 K534	D107-F110 HydrophobicContact CB-CD2 4.47Å; D107-F110 CarbonylContact O-C 3.26Å; D107-F110 VanDerWaalsContact O-C 3.26Å; D107-F110 PolarHBondContact O-N 3.41Å; F110-N112 PolarHBondContact O-N 3.37Å; F110-L524 WeakPolarHBondContact CD1-O 3.42Å; F110-L524 VanDerWaalsContact CE1-O 3.23Å; F110-L524 WeakPolarHBondContact CE1-O 3.47Å; F110-Q530 HydrophobicContact CZ-CB 4.19Å; F110-Q530 HydrophobicContact CZ-CG 4.47Å; F110-F533 HydrophobicContact CD1-CE1 4.45Å; F110-F533 AromaticContact CE1-CD1 3.62Å; F110-F533 HydrophobicContact CE1-CD1 3.62Å; F110-F533 AromaticContact CE1-CE1 3.95Å; F110-F533 HydrophobicContact CE1-CE1 3.95Å; F110-F533 HydrophobicContact CZ-CD1 4.28Å; F110-K534 HydrophobicContact CE2-CD 4.33Å; F110-K534 HydrophobicContact CE2-CG 4.39Å; F110-K534 HydrophobicContact CZ-CG 4.11Å
111	P	73.3	Confident	78.2	Confident	18 Å²	18	41.5 Å²	41.5	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.4	176.4	28.7	-33.3	0	0	0	110.4	L103 V105 P517	L103-P111 HydrophobicContact CD1-CB 3.97Å; V105-P111 HydrophobicContact CG2-CB 4.49Å; P111-P517 HydrophobicContact CB-CB 4.1Å; P111-P517 HydrophobicContact CG-CB 4.35Å
112	N	77.8	Confident	78.6	Confident	48 Å²	48	36 Å²	36	26%	0.257	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.1	172.6	-72.4	-57.3	0	0	0	109.6	H104 F110 V115	H104-N112 HydrophobicContact CB-CB 4.31Å; H104-N112 PolarHBondContact N-O 2.99Å; H104-N112 PolarHBondContact O-N 3.37Å; F110-N112 PolarHBondContact O-N 3.37Å; N112-V115 HydrophobicContact CB-CG2 3.96Å
113	W	81.8	Confident	79.2	Confident	20 Å²	20	36.5 Å²	36.5	8%	0.076	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.2	177.4	-67.9	94.3	0	0	0	111.3	P82 W86 T102 L103 L518 P520	P82-W113 HydrophobicContact CB-CH2 4.25Å; W86-W113 HydrophobicContact CB-CZ3 4.06Å; W86-W113 AromaticContact CD1-CH2 3.61Å; W86-W113 AromaticContact CD1-CZ3 3.57Å; W86-W113 HydrophobicContact CG-CH2 4.44Å; W86-W113 HydrophobicContact CG-CZ3 4.03Å; T102-W113 HydrophobicContact CG2-CE3 4.42Å; T102-W113 HydrophobicContact CG2-CZ3 4.46Å; T102-W113 CarbonylContact O-C 3.57Å; T102-W113 WeakPolarHBondContact O-CA 3.45Å; L103-W113 HydrophobicContact CB-CE3 4.24Å; L103-W113 HydrophobicContact CB-CZ3 4.07Å; L103-W113 HydrophobicContact CD1-CD2 3.83Å; L103-W113 HydrophobicContact CD1-CE3 4.01Å; L103-W113 HydrophobicContact CD1-CG 4.46Å; L103-W113 HydrophobicContact CD1-CH2 3.96Å; L103-W113 HydrophobicContact CD1-CZ2 3.77Å; L103-W113 HydrophobicContact CD1-CZ3 4.08Å; L103-W113 HydrophobicContact CD2-CH2 4.08Å; L103-W113 HydrophobicContact CD2-CZ2 4.45Å; L103-W113 HydrophobicContact CD2-CZ3 4.42Å; L103-W113 HydrophobicContact CG-CH2 4.41Å; L103-W113 HydrophobicContact CG-CZ3 4.41Å; W113-L518 WeakPolarHBondContact CZ2-O 3.43Å; W113-L518 PolarHBondContact NE1-O 3.29Å; W113-P520 HydrophobicContact CB-CB 4.39Å; W113-P520 HydrophobicContact CD2-CB 3.97Å; W113-P520 HydrophobicContact CD2-CG 4.42Å; W113-P520 HydrophobicContact CE3-CB 4.36Å; W113-P520 HydrophobicContact CE3-CG 4.47Å; W113-P520 HydrophobicContact CG-CB 3.98Å
114	F	83.3	Confident	79.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.5	51.1	175.8	-49.9	-71.1	0	0	0	114.4	W86 A90 W95 W99 K101 T102 G116 G117 S299 A323 V327 P520	W86-F114 HydrophobicContact CB-CZ 4.19Å; A90-F114 HydrophobicContact CB-CD1 3.94Å; A90-F114 HydrophobicContact CB-CE1 3.25Å; A90-F114 HydrophobicContact CB-CZ 3.69Å; W95-F114 HydrophobicContact CH2-CB 3.88Å; W95-F114 HydrophobicContact CH2-CD1 4.41Å; W95-F114 HydrophobicContact CH2-CD2 4.36Å; W95-F114 AromaticContact CH2-CG 3.96Å; W95-F114 HydrophobicContact CH2-CG 3.96Å; W95-F114 HydrophobicContact CZ3-CB 4.35Å; W99-F114 HydrophobicContact CB-CB 4.07Å; W99-F114 AromaticContact CD2-CD1 3.97Å; W99-F114 HydrophobicContact CD2-CD1 3.97Å; W99-F114 HydrophobicContact CE3-CD1 4.43Å; W99-F114 HydrophobicContact CG-CB 4.31Å; W99-F114 HydrophobicContact CG-CD1 4.07Å; K101-F114 CarbonylContact O-C 3.42Å; K101-F114 WeakPolarHBondContact O-CA 3.12Å; T102-F114 HydrophobicContact CG2-CD1 4.14Å; T102-F114 HydrophobicContact CG2-CE1 3.71Å; T102-F114 HydrophobicContact CG2-CZ 4.41Å; T102-F114 PolarHBondContact O-N 2.92Å; F114-G116 PolarHBondContact O-N 3.24Å; F114-G117 PolarHBondContact O-N 3.26Å; F114-S299 WeakPolarHBondContact O-CB 3.22Å; F114-S299 PolarHBondContact O-OG 2.84Å; F114-A323 HydrophobicContact CB-CB 4.34Å; F114-A323 HydrophobicContact CD2-CB 4Å; F114-V327 HydrophobicContact CE2-CB 4.37Å; F114-V327 HydrophobicContact CE2-CG2 4.06Å; F114-V327 HydrophobicContact CZ-CB 4.48Å; F114-V327 HydrophobicContact CZ-CG1 4.29Å; F114-V327 HydrophobicContact CZ-CG2 4.16Å; F114-P520 HydrophobicContact CE2-CB 4.14Å
115	V	82.9	Confident	80.3	Confident	48 Å²	48	33 Å²	33	29%	0.291	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	134.1	-177.2	-177	0	0	0	0	111.2	S100 K101 H104 N112 G117	S100-V115 PolarHBondContact N-O 2.96Å; S100-V115 PolarHBondContact OG-O 2.91Å; S100-V115 VanDerWaalsContact OG-O 3.09Å; K101-V115 HydrophobicContact CB-CB 4.43Å; K101-V115 PolarHBondContact N-O 3.17Å; K101-V115 PolarHBondContact O-N 2.88Å; H104-V115 HydrophobicContact CB-CG2 3.6Å; N112-V115 HydrophobicContact CB-CG2 3.96Å; V115-G117 PolarHBondContact O-N 3.42Å
116	G	80.3	Confident	81.2	Confident	45 Å²	45	29.9 Å²	29.9	46%	0.464	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-11.2	179.8	0	0	0	0	0	114.9	F114	F114-G116 PolarHBondContact O-N 3.24Å
117	G	86.1	Confident	82.4	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.			trans	-70.8	138.5	177.4	0	0	0	0	0	111.8	E97 F114 V115 S299	E97-G117 WeakPolarHBondContact O-CA 3.47Å; F114-G117 PolarHBondContact O-N 3.26Å; V115-G117 PolarHBondContact O-N 3.42Å; G117-S299 PolarHBondContact O-N 3.48Å
118	K	88.9	Confident	83.4	Confident	72 Å²	72	23.2 Å²	23.2	31%	0.313	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.4	171.4	-62.5	-177.4	-167.8	150	0	111.2	F96 E97 P296 L297	F96-K118 PolarHBondContact N-O 3.12Å; E97-K118 HydrophobicContact CB-CB 4.09Å; E97-K118 HydrophobicContact CB-CD 4.49Å; E97-K118 HydrophobicContact CB-CG 4.31Å; E97-K118 HydrophobicContact CG-CD 4.34Å; E97-K118 PolarHBondContact N-O 3.19Å; E97-K118 PolarHBondContact O-N 3Å; E97-K118 IonicContact OE1-NZ 3.24Å; E97-K118 PolarHBondContact OE1-NZ 2.78Å; E97-K118 WeakPolarHBondContact OE2-CD 3.26Å; E97-K118 WeakPolarHBondContact OE2-CE 3.22Å; E97-K118 IonicContact OE2-NZ 3.85Å; E97-K118 PolarHBondContact OE2-NZ 2.97Å; K118-P296 HydrophobicContact CB-CB 4.36Å; K118-P296 HydrophobicContact CD-CB 4.44Å; K118-L297 CarbonylContact C-O 3.58Å; K118-L297 WeakPolarHBondContact CA-O 3.18Å
119	L	90.7	Very high	84.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	170.7	179.1	78.6	167.1	0	0	0	111.3	I93 W95 L297 T322 A323	I93-L119 HydrophobicContact CG2-CD1 4.15Å; W95-L119 HydrophobicContact CD2-CB 4.37Å; W95-L119 HydrophobicContact CE3-CB 3.84Å; W95-L119 HydrophobicContact CE3-CD2 4.32Å; W95-L119 HydrophobicContact CE3-CG 4.44Å; W95-L119 HydrophobicContact CH2-CD1 4.28Å; W95-L119 HydrophobicContact CH2-CD2 4.5Å; W95-L119 HydrophobicContact CZ3-CB 4.19Å; W95-L119 HydrophobicContact CZ3-CD1 4.21Å; W95-L119 HydrophobicContact CZ3-CD2 3.83Å; W95-L119 HydrophobicContact CZ3-CG 4.28Å; L119-L297 PolarHBondContact N-O 2.69Å; L119-L297 WeakPolarHBondContact O-CB 3.43Å; L119-L297 PolarHBondContact O-N 3.29Å; L119-T322 HydrophobicContact CD1-CG2 4.43Å; L119-T322 HydrophobicContact CD2-CG2 3.91Å; L119-T322 HydrophobicContact CG-CG2 4.02Å; L119-A323 HydrophobicContact CD1-CB 4.21Å; L119-A323 HydrophobicContact CD2-CB 3.78Å
120	N	90.8	Very high	85.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.			trans	-132.8	130	166	-170.8	-72.2	0	0	0	109	F96 C122 F123 N124 A198 R199 C294 V295	F96-N120 HydrophobicContact CE2-CB 3.78Å; N120-C122 WeakPolarHBondContact OD1-CA 3.37Å; N120-C122 WeakPolarHBondContact OD1-CB 3.36Å; N120-C122 PolarHBondContact OD1-N 3.42Å; N120-F123 HydrophobicContact CB-CB 3.95Å; N120-F123 PolarHBondContact O-N 3.22Å; N120-F123 PolarHBondContact OD1-N 3.16Å; N120-F123 VanDerWaalsContact OD1-N 3.15Å; N120-N124 PolarHBondContact O-N 3.21Å; N120-N124 PolarHBondContact O-ND2 3.46Å; N120-A198 PolarHBondContact ND2-O 3.4Å; N120-A198 VanDerWaalsContact ND2-O 3.13Å; N120-R199 PolarHBondContact ND2-O 3.28Å; N120-C294 HydrophobicContact CB-CB 4.16Å; N120-V295 PolarHBondContact ND2-O 2.8Å
121	V	88.6	Confident	86.6	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-70	-37.4	-179	167.4	0	0	0	0	111.3	F123 N124 A125 L303 T322 A326 Y362	V121-F123 VanDerWaalsContact C-N 3.35Å; V121-F123 PolarHBondContact O-N 3.22Å; V121-N124 PolarHBondContact O-N 3.44Å; V121-A125 WeakPolarHBondContact O-CB 3.31Å; V121-A125 PolarHBondContact O-N 2.9Å; V121-L303 HydrophobicContact CB-CD1 4.12Å; V121-L303 HydrophobicContact CG1-CD1 4.41Å; V121-L303 HydrophobicContact CG1-CD2 4.36Å; V121-L303 HydrophobicContact CG2-CD1 4.2Å; V121-L303 HydrophobicContact CG2-CD2 4.29Å; V121-T322 HydrophobicContact CB-CG2 4.46Å; V121-T322 HydrophobicContact CG2-CG2 3.42Å; V121-T322 VanDerWaalsContact CG2-CG2 3.42Å; V121-A326 HydrophobicContact CG2-CB 4.19Å; V121-Y362 HydrophobicContact CG1-CD1 3.55Å; V121-Y362 HydrophobicContact CG1-CE1 3.58Å
122	C	89.8	Confident	87.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-42.9	175.3	-178.7	0	0	0	0	111.1	N120 N124 A125 V126 R199	N120-C122 WeakPolarHBondContact OD1-CA 3.37Å; N120-C122 WeakPolarHBondContact OD1-CB 3.36Å; N120-C122 PolarHBondContact OD1-N 3.42Å; C122-N124 VanDerWaalsContact C-N 3.3Å; C122-N124 PolarHBondContact O-N 3.3Å; C122-A125 PolarHBondContact O-N 3.29Å; C122-V126 PolarHBondContact O-N 3.01Å; C122-R199 HydrophobicContact CB-CB 3.84Å; C122-R199 HydrophobicContact CB-CG 4.29Å
123	F	90.3	Very high	87.7	Confident	30 Å²	30	27.9 Å²	27.9	13%	0.132	17%	0.168	C	C	.	.	I	π-helix	trans	-58	-45	176.2	-177.2	-96.1	0	0	0	111.5	F96 N120 V121 D127 R128 E131 C294	F96-F123 HydrophobicContact CZ-CB 4.34Å; F96-F123 HydrophobicContact CZ-CD1 4.38Å; F96-F123 HydrophobicContact CZ-CD2 4.24Å; F96-F123 HydrophobicContact CZ-CG 4.05Å; N120-F123 HydrophobicContact CB-CB 3.95Å; N120-F123 PolarHBondContact O-N 3.22Å; N120-F123 PolarHBondContact OD1-N 3.16Å; N120-F123 VanDerWaalsContact OD1-N 3.15Å; V121-F123 VanDerWaalsContact C-N 3.35Å; V121-F123 PolarHBondContact O-N 3.22Å; F123-D127 HydrophobicContact CD2-CB 3.51Å; F123-D127 HydrophobicContact CE2-CB 3.79Å; F123-D127 HydrophobicContact CG-CB 4.24Å; F123-D127 PolarHBondContact O-N 3.34Å; F123-R128 HydrophobicContact CE1-CB 4.44Å; F123-R128 WeakPolarHBondContact O-CB 3.42Å; F123-R128 PolarHBondContact O-N 3.5Å; F123-E131 WeakPolarHBondContact CZ-OE2 3.34Å; F123-C294 HydrophobicContact CB-CB 4.22Å
124	N	89.4	Confident	87.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.177	C	C	.	.	I	π-helix	trans	-71.2	-30.6	179.7	-82.7	-77.2	0	0	0	113.8	I93 S94 N120 V121 C122 H129 L366	I93-N124 WeakPolarHBondContact CG2-OD1 3.34Å; S94-N124 WeakPolarHBondContact CA-OD1 3.4Å; S94-N124 WeakPolarHBondContact CB-OD1 3.25Å; S94-N124 PolarHBondContact N-OD1 3.16Å; S94-N124 PolarHBondContact O-ND2 3.09Å; S94-N124 PolarHBondContact O-OD1 2.95Å; N120-N124 PolarHBondContact O-N 3.21Å; N120-N124 PolarHBondContact O-ND2 3.46Å; V121-N124 PolarHBondContact O-N 3.44Å; C122-N124 VanDerWaalsContact C-N 3.3Å; C122-N124 PolarHBondContact O-N 3.3Å; N124-H129 PolarHBondContact O-NE2 2.9Å; N124-L366 HydrophobicContact CB-CD2 3.62Å
125	A	89.1	Confident	88	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-86.7	-22.3	-178.4	0	0	0	0	0	113.2	V121 C122 H129 F155 L195 L365 L366	V121-A125 WeakPolarHBondContact O-CB 3.31Å; V121-A125 PolarHBondContact O-N 2.9Å; C122-A125 PolarHBondContact O-N 3.29Å; A125-H129 PolarHBondContact O-CD2 3.43Å; A125-F155 WeakPolarHBondContact O-CE1 3.42Å; A125-L195 HydrophobicContact CB-CD2 4.31Å; A125-L365 HydrophobicContact CB-CB 3.9Å; A125-L366 HydrophobicContact CB-CD2 4.09Å; A125-L366 HydrophobicContact CB-CG 4.33Å
126	V	89.2	Confident	88.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-130.9	-70	-173.4	-171.8	0	0	0	0	111.7	C122 R128 H129 V130 L158 Q159 L195	C122-V126 PolarHBondContact O-N 3.01Å; V126-R128 VanDerWaalsContact C-N 3.33Å; V126-R128 PolarHBondContact O-N 2.91Å; V126-H129 WeakPolarHBondContact O-CB 3.42Å; V126-H129 PolarHBondContact O-N 3.01Å; V126-V130 PolarHBondContact O-N 3.34Å; V126-L158 HydrophobicContact CG1-CB 4.36Å; V126-L158 HydrophobicContact CG1-CD2 4.23Å; V126-L158 HydrophobicContact CG1-CG 4.09Å; V126-L158 HydrophobicContact CG2-CD2 3.76Å; V126-L158 HydrophobicContact CG2-CG 4.08Å; V126-Q159 HydrophobicContact CG1-CB 3.72Å; V126-Q159 HydrophobicContact CG1-CG 4.28Å; V126-L195 HydrophobicContact CG2-CD1 4.12Å
127	D	89.6	Confident	88.9	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.037	18%	0.177	C	C	.	.	I	π-helix	trans	-58.4	-42.3	-168.6	-55.8	-113.3	0	0	0	112.2	F123 H129 V130 E131 Q159 R199	F123-D127 HydrophobicContact CD2-CB 3.51Å; F123-D127 HydrophobicContact CE2-CB 3.79Å; F123-D127 HydrophobicContact CG-CB 4.24Å; F123-D127 PolarHBondContact O-N 3.34Å; D127-H129 PolarHBondContact O-N 2.93Å; D127-V130 PolarHBondContact O-N 3.02Å; D127-V130 VanDerWaalsContact O-N 3.1Å; D127-E131 WeakPolarHBondContact O-CG 3.45Å; D127-E131 PolarHBondContact O-N 3.19Å; D127-Q159 PolarHBondContact OD1-NE2 2.87Å; D127-R199 VanDerWaalsContact CG-NH1 3.26Å; D127-R199 IonicContact OD1-CZ 3.5Å; D127-R199 IonicContact OD1-NH1 3.56Å; D127-R199 PolarHBondContact OD1-NH1 3.38Å; D127-R199 IonicContact OD1-NH2 2.73Å; D127-R199 PolarHBondContact OD1-NH2 2.99Å; D127-R199 IonicContact OD2-CZ 2.96Å; D127-R199 IonicContact OD2-NH1 3.71Å; D127-R199 PolarHBondContact OD2-NH1 3.37Å
128	R	90	Very high	89.1	Confident	58 Å²	58	35.4 Å²	35.4	22%	0.219	19%	0.191	C	C	.	.	H	α-helix	trans	-55	-38.6	174.8	178.1	-170.8	175.6	165.5	5.2	113.1	N92 S94 F123 V126 S132 K330	N92-R128 VanDerWaalsContact O-CZ 3.29Å; N92-R128 PolarHBondContact O-NH1 3.27Å; N92-R128 PolarHBondContact O-NH2 2.97Å; S94-R128 WeakPolarHBondContact OG-CD 3.47Å; F123-R128 HydrophobicContact CE1-CB 4.44Å; F123-R128 WeakPolarHBondContact O-CB 3.42Å; F123-R128 PolarHBondContact O-N 3.5Å; V126-R128 VanDerWaalsContact C-N 3.33Å; V126-R128 PolarHBondContact O-N 2.91Å; R128-S132 WeakPolarHBondContact O-CB 3.4Å; R128-S132 PolarHBondContact O-N 3.13Å; R128-S132 PolarHBondContact O-OG 3.32Å; R128-K330 VanDerWaalsContact NH1-NZ 3.17Å
129	H	89	Confident	89.2	Confident	2 Å²	2	32 Å²	32	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-72.8	-36.9	-178.8	-64.1	-72.6	0	0	0	111.1	N124 A125 V126 D127 S132 R134 F155 L365 G368	N124-H129 PolarHBondContact O-NE2 2.9Å; A125-H129 PolarHBondContact O-CD2 3.43Å; V126-H129 WeakPolarHBondContact O-CB 3.42Å; V126-H129 PolarHBondContact O-N 3.01Å; D127-H129 PolarHBondContact O-N 2.93Å; H129-S132 WeakPolarHBondContact CA-OG 3.49Å; H129-S132 PolarHBondContact O-N 3.5Å; H129-S132 PolarHBondContact O-OG 3Å; H129-S132 VanDerWaalsContact O-OG 3.07Å; H129-R134 PolarHBondContact ND1-NH2 3.41Å; H129-R134 WeakPolarHBondContact O-CA 3.45Å; H129-R134 WeakPolarHBondContact O-CB 3.35Å; H129-R134 PolarHBondContact O-N 3.26Å; H129-F155 HydrophobicContact CB-CD1 3.78Å; H129-F155 HydrophobicContact CB-CE1 3.97Å; H129-F155 HydrophobicContact CB-CG 4.09Å; H129-F155 HydrophobicContact CB-CZ 4.44Å; H129-F155 AromaticContact CD2-CE1 3.93Å; H129-F155 AromaticContact CG-CE1 3.98Å; H129-L365 PolarHBondContact CD2-O 2.82Å; H129-L365 PolarHBondContact NE2-O 3.01Å; H129-G368 WeakPolarHBondContact CE1-CA 3.42Å; H129-G368 PolarHBondContact CE1-N 3.46Å
130	V	89.3	Confident	89.4	Confident	27 Å²	27	32 Å²	32	16%	0.164	18%	0.176	C	C	.	.	I	π-helix	trans	-65.4	-47	173.5	-176.6	0	0	0	0	110.8	V126 D127 S132 G133 F155 Q159	V126-V130 PolarHBondContact O-N 3.34Å; D127-V130 PolarHBondContact O-N 3.02Å; D127-V130 VanDerWaalsContact O-N 3.1Å; V130-S132 VanDerWaalsContact C-N 3.3Å; V130-S132 PolarHBondContact O-N 3.27Å; V130-G133 PolarHBondContact O-N 3.14Å; V130-G133 VanDerWaalsContact O-N 3.07Å; V130-F155 HydrophobicContact CG2-CB 3.96Å; V130-Q159 HydrophobicContact CG2-CB 4.36Å
131	E	89.1	Confident	89.5	Confident	140 Å²	140	32.5 Å²	32.5	65%	0.654	18%	0.179	S	C	*	.	I	π-helix	trans	-63	-34	178.1	-71.5	176.7	-179.1	0	0	112.8	F123 D127 G133	F123-E131 WeakPolarHBondContact CZ-OE2 3.34Å; D127-E131 WeakPolarHBondContact O-CG 3.45Å; D127-E131 PolarHBondContact O-N 3.19Å; E131-G133 PolarHBondContact O-N 3.08Å
132	S	86.6	Confident	89.7	Confident	64 Å²	64	33.2 Å²	33.2	45%	0.448	18%	0.181	S	C	.	.	I	π-helix	trans	-77.5	10.9	175	58.4	0	0	0	0	114.4	R128 H129 V130	R128-S132 WeakPolarHBondContact O-CB 3.4Å; R128-S132 PolarHBondContact O-N 3.13Å; R128-S132 PolarHBondContact O-OG 3.32Å; H129-S132 WeakPolarHBondContact CA-OG 3.49Å; H129-S132 PolarHBondContact O-N 3.5Å; H129-S132 PolarHBondContact O-OG 3Å; H129-S132 VanDerWaalsContact O-OG 3.07Å; V130-S132 VanDerWaalsContact C-N 3.3Å; V130-S132 PolarHBondContact O-N 3.27Å
133	G	87.1	Confident	89.6	Confident	69 Å²	69	33.3 Å²	33.3	71%	0.711	18%	0.182	S	C	*	.	I	π-helix	trans	82.3	9	175.9	0	0	0	0	0	114.9	V130 E131	V130-G133 PolarHBondContact O-N 3.14Å; V130-G133 VanDerWaalsContact O-N 3.07Å; E131-G133 PolarHBondContact O-N 3.08Å
134	R	86.4	Confident	89.4	Confident	71 Å²	71	31.9 Å²	31.9	27%	0.268	18%	0.175	S	C	.	.	I	π-helix	trans	-98.5	25.7	178.3	-66.2	-178.9	-72.5	-178	-2.8	113.2	H129 E136 Q137	H129-R134 PolarHBondContact ND1-NH2 3.41Å; H129-R134 WeakPolarHBondContact O-CA 3.45Å; H129-R134 WeakPolarHBondContact O-CB 3.35Å; H129-R134 PolarHBondContact O-N 3.26Å; R134-E136 VanDerWaalsContact C-N 3.33Å; R134-E136 PolarHBondContact O-N 3.44Å; R134-Q137 HydrophobicContact CB-CB 4.34Å; R134-Q137 VanDerWaalsContact O-CB 3.28Å; R134-Q137 WeakPolarHBondContact O-CB 3.42Å; R134-Q137 PolarHBondContact O-N 2.88Å; R134-Q137 VanDerWaalsContact O-N 3.17Å
135	G	85.5	Confident	88.9	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.1	-176.9	0	0	0	0	0	114.6	Q137 F155 R156	G135-Q137 VanDerWaalsContact C-N 3.3Å; G135-F155 PolarHBondContact O-N 3.3Å; G135-R156 PolarHBondContact O-N 2.86Å
136	E	90.5	Very high	88.3	Confident	120 Å²	120	35 Å²	35	56%	0.561	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.1	179	-58.6	-54.6	140.9	0	0	113.3	R134 R156	R134-E136 VanDerWaalsContact C-N 3.33Å; R134-E136 PolarHBondContact O-N 3.44Å; E136-R156 IonicContact OE1-CZ 2.73Å; E136-R156 IonicContact OE1-NE 3.76Å; E136-R156 IonicContact OE1-NH1 2.76Å; E136-R156 PolarHBondContact OE1-NH1 3.08Å; E136-R156 IonicContact OE1-NH2 3.1Å; E136-R156 PolarHBondContact OE1-NH2 3.44Å
137	Q	90.4	Very high	87.5	Confident	34 Å²	34	37.4 Å²	37.4	16%	0.159	21%	0.21	C	C	.	.	S	Bend	trans	-66.4	138.2	177.3	-171.1	-170.5	-52.6	0	0	109.2	R134 G135 A139 T154 F155 G368	R134-Q137 HydrophobicContact CB-CB 4.34Å; R134-Q137 VanDerWaalsContact O-CB 3.28Å; R134-Q137 WeakPolarHBondContact O-CB 3.42Å; R134-Q137 PolarHBondContact O-N 2.88Å; R134-Q137 VanDerWaalsContact O-N 3.17Å; G135-Q137 VanDerWaalsContact C-N 3.3Å; Q137-A139 PolarHBondContact O-N 3.38Å; Q137-T154 WeakPolarHBondContact O-CA 3.42Å; Q137-F155 HydrophobicContact CB-CD2 4.08Å; Q137-F155 HydrophobicContact CB-CE2 4.45Å; Q137-F155 HydrophobicContact CG-CE2 4.49Å; Q137-F155 WeakPolarHBondContact O-CD2 3.49Å; Q137-F155 PolarHBondContact O-N 2.74Å; Q137-G368 PolarHBondContact NE2-O 3.25Å
138	P	91.8	Very high	86.9	Confident	44 Å²	44	40.2 Å²	40.2	29%	0.286	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	125.7	167.8	-26.6	36.2	0	0	0	110.9	I152 S370	P138-I152 HydrophobicContact CB-CG2 3.76Å; P138-I152 HydrophobicContact CG-CG2 4.03Å; P138-S370 WeakPolarHBondContact O-CB 3.29Å; P138-S370 PolarHBondContact O-OG 3.08Å
139	A	91.1	Very high	86.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-51.1	171.5	0	0	0	0	0	109.9	Q137 V153 F155 L158 L365 T371	Q137-A139 PolarHBondContact O-N 3.38Å; A139-V153 PolarHBondContact N-O 3.33Å; A139-F155 HydrophobicContact CB-CD1 3.93Å; A139-F155 HydrophobicContact CB-CD2 3.76Å; A139-F155 HydrophobicContact CB-CE1 3.99Å; A139-F155 HydrophobicContact CB-CE2 3.82Å; A139-F155 HydrophobicContact CB-CG 3.81Å; A139-F155 HydrophobicContact CB-CZ 3.93Å; A139-L158 HydrophobicContact CB-CD2 3.87Å; A139-L365 HydrophobicContact CB-CD2 4.11Å; A139-T371 WeakPolarHBondContact O-CG2 3.26Å; A139-T371 PolarHBondContact O-N 3.46Å
140	I	93.5	Very high	86.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.1	-176.9	-55	168	0	0	0	109.4	V153 L158 M191 F192 T371 L373	I140-V153 HydrophobicContact CB-CB 4.3Å; I140-V153 PolarHBondContact N-O 2.79Å; I140-V153 PolarHBondContact O-N 3.29Å; I140-L158 HydrophobicContact CD1-CD1 3.91Å; I140-L158 HydrophobicContact CD1-CD2 4.45Å; I140-M191 HydrophobicContact CD1-CB 4.3Å; I140-M191 HydrophobicContact CD1-CE 3.65Å; I140-M191 HydrophobicContact CD1-SD 3.88Å; I140-M191 HydrophobicContact CG1-CE 3.91Å; I140-M191 HydrophobicContact CG1-SD 4.31Å; I140-M191 HydrophobicContact CG2-SD 4.27Å; I140-F192 HydrophobicContact CD1-CE1 3.96Å; I140-T371 CarbonylContact C-O 3.44Å; I140-T371 WeakPolarHBondContact CA-O 3.43Å; I140-T371 HydrophobicContact CB-CG2 4.47Å; I140-T371 HydrophobicContact CG1-CG2 4.01Å; I140-L373 HydrophobicContact CG2-CB 4.03Å
141	I	93.1	Very high	86.6	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.056	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105	171.1	-60.1	169.7	0	0	0	106.7	V344 T371 I372 L373 Y394	I141-V344 HydrophobicContact CD1-CG1 4.02Å; I141-T371 PolarHBondContact N-O 3.17Å; I141-I372 HydrophobicContact CB-CG1 3.94Å; I141-I372 HydrophobicContact CD1-CG1 4.12Å; I141-I372 HydrophobicContact CG2-CG1 4.23Å; I141-I372 CarbonylContact O-C 3.58Å; I141-I372 WeakPolarHBondContact O-CA 3.25Å; I141-L373 PolarHBondContact O-N 3.38Å; I141-Y394 HydrophobicContact CD1-CD1 4.45Å; I141-Y394 HydrophobicContact CG2-CD1 3.54Å; I141-Y394 HydrophobicContact CG2-CD2 4.4Å; I141-Y394 HydrophobicContact CG2-CE1 3.41Å; I141-Y394 VanDerWaalsContact CG2-CE1 3.41Å; I141-Y394 HydrophobicContact CG2-CE2 4.29Å; I141-Y394 HydrophobicContact CG2-CG 4.04Å
142	Y	92.1	Very high	86.8	Confident	16 Å²	16	47 Å²	47	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.1	177.7	175.5	-122.2	0	0	0	110.2	S144 T149 K150 K151 M186 P188 L373 E375	Y142-S144 VanDerWaalsContact CZ-CB 3.49Å; Y142-S144 VanDerWaalsContact OH-CB 3.32Å; Y142-S144 WeakPolarHBondContact OH-CB 3.39Å; Y142-T149 HydrophobicContact CE1-CG2 4.21Å; Y142-K150 CarbonylContact O-C 3.5Å; Y142-K150 VanDerWaalsContact O-CA 3.31Å; Y142-K150 WeakPolarHBondContact O-CA 3.24Å; Y142-K151 WeakPolarHBondContact CB-O 3.42Å; Y142-K151 HydrophobicContact CD1-CB 4.12Å; Y142-K151 PolarHBondContact N-O 2.87Å; Y142-K151 PolarHBondContact O-N 2.81Å; Y142-M186 WeakPolarHBondContact CE2-O 3.35Å; Y142-P188 HydrophobicContact CD1-CG 4.05Å; Y142-P188 HydrophobicContact CD2-CG 3.92Å; Y142-P188 HydrophobicContact CG-CG 3.64Å; Y142-L373 WeakPolarHBondContact CA-O 3.31Å; Y142-L373 HydrophobicContact CD2-CB 4.42Å; Y142-L373 HydrophobicContact CD2-CD2 3.98Å; Y142-L373 HydrophobicContact CD2-CG 4.26Å; Y142-E375 HydrophobicContact CE2-CB 4.04Å; Y142-E375 PolarHBondContact OH-OE2 2.96Å
143	D	88.9	Confident	87.1	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	113	172.2	-172.9	-17.1	0	0	0	109	P145 L373 Y374 E375 R389 Y394	D143-P145 WeakPolarHBondContact O-CD 3.32Å; D143-P145 WeakPolarHBondContact OD1-CD 3.37Å; D143-L373 PolarHBondContact N-O 3.2Å; D143-Y374 WeakPolarHBondContact O-CA 3.49Å; D143-E375 PolarHBondContact O-N 3.1Å; D143-R389 IonicContact OD1-NH2 2.82Å; D143-R389 PolarHBondContact OD1-NH2 3.37Å; D143-R389 IonicContact OD2-CZ 3.58Å; D143-R389 VanDerWaalsContact OD2-CZ 3.28Å; D143-R389 IonicContact OD2-NH1 3.21Å; D143-R389 PolarHBondContact OD2-NH1 2.79Å; D143-R389 IonicContact OD2-NH2 3.39Å; D143-R389 PolarHBondContact OD2-NH2 3.32Å; D143-Y394 HydrophobicContact CB-CE2 3.97Å; D143-Y394 WeakPolarHBondContact OD2-CE2 3.47Å; D143-Y394 PolarHBondContact OD2-OH 2.77Å
144	S	85.8	Confident	87.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	89.5	175.3	-179	0	0	0	0	109.6	Y142 V146 T147 G148 T149 E375	Y142-S144 VanDerWaalsContact CZ-CB 3.49Å; Y142-S144 VanDerWaalsContact OH-CB 3.32Å; Y142-S144 WeakPolarHBondContact OH-CB 3.39Å; S144-V146 PolarHBondContact O-N 3.45Å; S144-V146 VanDerWaalsContact OG-CG2 3.3Å; S144-V146 WeakPolarHBondContact OG-CG2 3.32Å; S144-T147 WeakPolarHBondContact CB-OG1 3.05Å; S144-T147 PolarHBondContact O-N 2.98Å; S144-T147 PolarHBondContact O-OG1 3.34Å; S144-T147 PolarHBondContact OG-N 2.94Å; S144-T147 PolarHBondContact OG-OG1 2.87Å; S144-G148 WeakPolarHBondContact O-CA 3.33Å; S144-G148 PolarHBondContact O-N 2.89Å; S144-T149 PolarHBondContact N-O 2.65Å; S144-T149 PolarHBondContact O-N 3.15Å; S144-T149 VanDerWaalsContact O-N 3.14Å; S144-E375 WeakPolarHBondContact CB-OE2 3.32Å; S144-E375 PolarHBondContact OG-OE2 2.97Å
145	P	78.3	Confident	87.7	Confident	32 Å²	32	38.5 Å²	38.5	21%	0.208	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.2	174.3	24.8	-36.7	0	0	0	112.4	D143 T147 G148 Y374 E375	D143-P145 WeakPolarHBondContact O-CD 3.32Å; D143-P145 WeakPolarHBondContact OD1-CD 3.37Å; P145-T147 VanDerWaalsContact C-N 3.32Å; P145-T147 PolarHBondContact O-N 3.06Å; P145-G148 PolarHBondContact O-N 3.05Å; P145-Y374 HydrophobicContact CG-CE2 3.61Å; P145-E375 VanDerWaalsContact CD-O 3.27Å; P145-E375 WeakPolarHBondContact CD-O 3.22Å
146	V	76.4	Confident	88	Confident	35 Å²	35	44.9 Å²	44.9	21%	0.212	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.6	179.6	-61.5	0	0	0	0	113.4	S144 I235 E375 T381	S144-V146 PolarHBondContact O-N 3.45Å; S144-V146 VanDerWaalsContact OG-CG2 3.3Å; S144-V146 WeakPolarHBondContact OG-CG2 3.32Å; V146-I235 HydrophobicContact CB-CB 4.19Å; V146-I235 HydrophobicContact CB-CG2 3.8Å; V146-I235 HydrophobicContact CG1-CG2 4.4Å; V146-I235 HydrophobicContact CG2-CB 4.02Å; V146-I235 HydrophobicContact CG2-CD1 4.42Å; V146-I235 HydrophobicContact CG2-CG2 4.21Å; V146-E375 HydrophobicContact CG2-CG 4.01Å; V146-E375 WeakPolarHBondContact CG2-O 3.11Å; V146-T381 HydrophobicContact CG1-CG2 3.76Å
147	T	72	Confident	88.1	Confident	50 Å²	50	43.5 Å²	43.5	31%	0.307	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-2.5	174.3	59.7	0	0	0	0	113.4	S144 P145 T149 I235 R266	S144-T147 WeakPolarHBondContact CB-OG1 3.05Å; S144-T147 PolarHBondContact O-N 2.98Å; S144-T147 PolarHBondContact O-OG1 3.34Å; S144-T147 PolarHBondContact OG-N 2.94Å; S144-T147 PolarHBondContact OG-OG1 2.87Å; P145-T147 VanDerWaalsContact C-N 3.32Å; P145-T147 PolarHBondContact O-N 3.06Å; T147-T149 PolarHBondContact O-N 3.1Å; T147-T149 PolarHBondContact O-OG1 3.36Å; T147-T149 WeakPolarHBondContact OG1-CB 3.48Å; T147-T149 PolarHBondContact OG1-N 2.97Å; T147-T149 PolarHBondContact OG1-OG1 2.79Å; T147-I235 HydrophobicContact CG2-CD1 3.37Å; T147-R266 VanDerWaalsContact CG2-NH2 3.34Å
148	G	77.2	Confident	88.2	Confident	66 Å²	66	41.9 Å²	41.9	68%	0.68	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	18.4	-170.5	0	0	0	0	0	113.7	S144 P145	S144-G148 WeakPolarHBondContact O-CA 3.33Å; S144-G148 PolarHBondContact O-N 2.89Å; P145-G148 PolarHBondContact O-N 3.05Å
149	T	83	Confident	88.2	Confident	60 Å²	60	42 Å²	42	37%	0.368	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.8	-175	-57.7	0	0	0	0	110.4	Y142 S144 T147	Y142-T149 HydrophobicContact CE1-CG2 4.21Å; S144-T149 PolarHBondContact N-O 2.65Å; S144-T149 PolarHBondContact O-N 3.15Å; S144-T149 VanDerWaalsContact O-N 3.14Å; T147-T149 PolarHBondContact O-N 3.1Å; T147-T149 PolarHBondContact O-OG1 3.36Å; T147-T149 WeakPolarHBondContact OG1-CB 3.48Å; T147-T149 PolarHBondContact OG1-N 2.97Å; T147-T149 PolarHBondContact OG1-OG1 2.79Å
150	K	89.9	Confident	88.2	Confident	105 Å²	105	44.8 Å²	44.8	46%	0.457	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.3	171.2	-68.1	173.9	174.5	178.6	0	108.9	Y142 E393 Y394	Y142-K150 CarbonylContact O-C 3.5Å; Y142-K150 VanDerWaalsContact O-CA 3.31Å; Y142-K150 WeakPolarHBondContact O-CA 3.24Å; K150-E393 WeakPolarHBondContact CE-OE1 3.35Å; K150-E393 IonicContact NZ-OE1 3.7Å; K150-E393 PolarHBondContact NZ-OE1 2.89Å; K150-E393 IonicContact NZ-OE2 3.52Å; K150-E393 PolarHBondContact NZ-OE2 3.02Å; K150-Y394 WeakPolarHBondContact CD-OH 3.41Å
151	K	90.4	Very high	88.1	Confident	109 Å²	109	47.7 Å²	47.7	47%	0.474	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.8	178.1	-171.2	175.9	-178.7	179.4	0	109.9	Y142 V153	Y142-K151 WeakPolarHBondContact CB-O 3.42Å; Y142-K151 HydrophobicContact CD1-CB 4.12Å; Y142-K151 PolarHBondContact N-O 2.87Å; Y142-K151 PolarHBondContact O-N 2.81Å; K151-V153 HydrophobicContact CD-CG2 4.27Å; K151-V153 HydrophobicContact CG-CG2 4.24Å
152	I	93	Very high	88.1	Confident	96 Å²	96	47.2 Å²	47.2	49%	0.492	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.5	170	-59.5	175.2	0	0	0	106.5	P138	P138-I152 HydrophobicContact CB-CG2 3.76Å; P138-I152 HydrophobicContact CG-CG2 4.03Å
153	V	92.8	Very high	88	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.9	176.9	-176.4	0	0	0	0	107.8	A139 I140 K151 E157 L158 F192	A139-V153 PolarHBondContact N-O 3.33Å; I140-V153 HydrophobicContact CB-CB 4.3Å; I140-V153 PolarHBondContact N-O 2.79Å; I140-V153 PolarHBondContact O-N 3.29Å; K151-V153 HydrophobicContact CD-CG2 4.27Å; K151-V153 HydrophobicContact CG-CG2 4.24Å; V153-E157 WeakPolarHBondContact CA-OE2 3.41Å; V153-E157 HydrophobicContact CG1-CB 3.89Å; V153-L158 HydrophobicContact CG1-CB 4.25Å; V153-F192 HydrophobicContact CG1-CE1 4.36Å; V153-F192 HydrophobicContact CG1-CZ 4.19Å; V153-F192 HydrophobicContact CG2-CZ 4.36Å
154	T	94.7	Very high	88.1	Confident	21 Å²	21	50.6 Å²	50.6	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	165.2	178.2	65.7	0	0	0	0	111.7	Q137 R156 E157 L158	Q137-T154 WeakPolarHBondContact O-CA 3.42Å; T154-R156 VanDerWaalsContact C-N 3.26Å; T154-R156 PolarHBondContact O-N 3.4Å; T154-E157 PolarHBondContact N-OE2 3.08Å; T154-E157 PolarHBondContact O-N 2.98Å; T154-E157 WeakPolarHBondContact OG1-CG 3.23Å; T154-E157 PolarHBondContact OG1-N 3.1Å; T154-L158 VanDerWaalsContact O-CB 3.29Å; T154-L158 WeakPolarHBondContact O-CB 3.29Å; T154-L158 PolarHBondContact O-N 3.24Å
155	F	91.9	Very high	88.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-35.7	174.3	-83.9	-81.8	0	0	0	112.7	A125 H129 V130 G135 Q137 A139 L158 Q159 L365	A125-F155 WeakPolarHBondContact O-CE1 3.42Å; H129-F155 HydrophobicContact CB-CD1 3.78Å; H129-F155 HydrophobicContact CB-CE1 3.97Å; H129-F155 HydrophobicContact CB-CG 4.09Å; H129-F155 HydrophobicContact CB-CZ 4.44Å; H129-F155 AromaticContact CD2-CE1 3.93Å; H129-F155 AromaticContact CG-CE1 3.98Å; V130-F155 HydrophobicContact CG2-CB 3.96Å; G135-F155 PolarHBondContact O-N 3.3Å; Q137-F155 HydrophobicContact CB-CD2 4.08Å; Q137-F155 HydrophobicContact CB-CE2 4.45Å; Q137-F155 HydrophobicContact CG-CE2 4.49Å; Q137-F155 WeakPolarHBondContact O-CD2 3.49Å; Q137-F155 PolarHBondContact O-N 2.74Å; A139-F155 HydrophobicContact CB-CD1 3.93Å; A139-F155 HydrophobicContact CB-CD2 3.76Å; A139-F155 HydrophobicContact CB-CE1 3.99Å; A139-F155 HydrophobicContact CB-CE2 3.82Å; A139-F155 HydrophobicContact CB-CG 3.81Å; A139-F155 HydrophobicContact CB-CZ 3.93Å; F155-L158 PolarHBondContact O-N 3.29Å; F155-Q159 WeakPolarHBondContact O-CB 3.41Å; F155-Q159 PolarHBondContact O-N 3.16Å; F155-L365 HydrophobicContact CE1-CD2 4.01Å; F155-L365 HydrophobicContact CZ-CD2 4.15Å
156	R	92.2	Very high	88.8	Confident	138 Å²	138	49.1 Å²	49.1	52%	0.521	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-46.1	176.3	-177.8	180	-71.2	156.7	8.2	111.8	G135 E136 T154 L158 Q159 D160	G135-R156 PolarHBondContact O-N 2.86Å; E136-R156 IonicContact OE1-CZ 2.73Å; E136-R156 IonicContact OE1-NE 3.76Å; E136-R156 IonicContact OE1-NH1 2.76Å; E136-R156 PolarHBondContact OE1-NH1 3.08Å; E136-R156 IonicContact OE1-NH2 3.1Å; E136-R156 PolarHBondContact OE1-NH2 3.44Å; T154-R156 VanDerWaalsContact C-N 3.26Å; T154-R156 PolarHBondContact O-N 3.4Å; R156-L158 VanDerWaalsContact C-N 3.31Å; R156-L158 PolarHBondContact O-N 2.83Å; R156-Q159 WeakPolarHBondContact O-CB 3.45Å; R156-Q159 PolarHBondContact O-N 3.38Å; R156-D160 PolarHBondContact O-N 3.1Å; R156-D160 VanDerWaalsContact O-N 3.08Å
157	E	91.9	Very high	89.4	Confident	91 Å²	91	48 Å²	48	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-41.4	175.8	-71.9	174	171.4	0	0	111.2	V153 T154 Q159 D160 Q161	V153-E157 WeakPolarHBondContact CA-OE2 3.41Å; V153-E157 HydrophobicContact CG1-CB 3.89Å; T154-E157 PolarHBondContact N-OE2 3.08Å; T154-E157 PolarHBondContact O-N 2.98Å; T154-E157 WeakPolarHBondContact OG1-CG 3.23Å; T154-E157 PolarHBondContact OG1-N 3.1Å; E157-Q159 VanDerWaalsContact C-N 3.32Å; E157-Q159 PolarHBondContact O-N 3.41Å; E157-D160 PolarHBondContact O-N 3.44Å; E157-Q161 WeakPolarHBondContact O-CB 3.5Å; E157-Q161 VanDerWaalsContact O-CG 3.23Å; E157-Q161 WeakPolarHBondContact O-CG 3.27Å; E157-Q161 PolarHBondContact O-N 3Å
158	L	92.1	Very high	90.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-44.4	175.3	-178.7	62.7	0	0	0	111.3	V126 A139 I140 V153 T154 F155 R156 V162 F192 L195 L365	V126-L158 HydrophobicContact CG1-CB 4.36Å; V126-L158 HydrophobicContact CG1-CD2 4.23Å; V126-L158 HydrophobicContact CG1-CG 4.09Å; V126-L158 HydrophobicContact CG2-CD2 3.76Å; V126-L158 HydrophobicContact CG2-CG 4.08Å; A139-L158 HydrophobicContact CB-CD2 3.87Å; I140-L158 HydrophobicContact CD1-CD1 3.91Å; I140-L158 HydrophobicContact CD1-CD2 4.45Å; V153-L158 HydrophobicContact CG1-CB 4.25Å; T154-L158 VanDerWaalsContact O-CB 3.29Å; T154-L158 WeakPolarHBondContact O-CB 3.29Å; T154-L158 PolarHBondContact O-N 3.24Å; F155-L158 PolarHBondContact O-N 3.29Å; R156-L158 VanDerWaalsContact C-N 3.31Å; R156-L158 PolarHBondContact O-N 2.83Å; L158-V162 HydrophobicContact CD1-CG2 3.84Å; L158-V162 HydrophobicContact CG-CG2 4.3Å; L158-V162 VanDerWaalsContact O-CB 3.25Å; L158-V162 WeakPolarHBondContact O-CB 3.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 3.24Å; L158-F192 HydrophobicContact CD1-CD1 3.39Å; L158-F192 HydrophobicContact CD1-CE1 3.38Å; L158-L195 HydrophobicContact CD1-CD1 3.98Å; L158-L195 HydrophobicContact CD2-CD1 4.19Å; L158-L195 HydrophobicContact CG-CD1 4.36Å; L158-L365 HydrophobicContact CD2-CD1 4.27Å; L158-L365 HydrophobicContact CD2-CD2 4.19Å
159	Q	92.6	Very high	90.6	Very high	46 Å²	46	42.6 Å²	42.6	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-47.7	177.7	-168.8	-174.6	25	0	0	112.3	V126 D127 V130 F155 R156 E157 S163	V126-Q159 HydrophobicContact CG1-CB 3.72Å; V126-Q159 HydrophobicContact CG1-CG 4.28Å; D127-Q159 PolarHBondContact OD1-NE2 2.87Å; V130-Q159 HydrophobicContact CG2-CB 4.36Å; F155-Q159 WeakPolarHBondContact O-CB 3.41Å; F155-Q159 PolarHBondContact O-N 3.16Å; R156-Q159 WeakPolarHBondContact O-CB 3.45Å; R156-Q159 PolarHBondContact O-N 3.38Å; E157-Q159 VanDerWaalsContact C-N 3.32Å; E157-Q159 PolarHBondContact O-N 3.41Å; Q159-S163 WeakPolarHBondContact O-CB 3.38Å; Q159-S163 PolarHBondContact O-N 3.07Å; Q159-S163 PolarHBondContact O-OG 2.64Å
160	D	91.3	Very high	90.9	Very high	58 Å²	58	42.2 Å²	42.2	31%	0.31	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-46.9	179	176.3	73.9	0	0	0	111.2	R156 E157 S163 R164	R156-D160 PolarHBondContact O-N 3.1Å; R156-D160 VanDerWaalsContact O-N 3.08Å; E157-D160 PolarHBondContact O-N 3.44Å; D160-S163 PolarHBondContact O-OG 3.08Å; D160-R164 VanDerWaalsContact CG-NE 3.3Å; D160-R164 WeakPolarHBondContact O-CB 3.33Å; D160-R164 VanDerWaalsContact O-CG 3.26Å; D160-R164 WeakPolarHBondContact O-CG 3.49Å; D160-R164 PolarHBondContact O-N 2.99Å; D160-R164 VanDerWaalsContact O-N 3.11Å; D160-R164 IonicContact OD1-CZ 3.4Å; D160-R164 IonicContact OD1-NE 2.94Å; D160-R164 PolarHBondContact OD1-NE 3.33Å; D160-R164 IonicContact OD1-NH2 2.92Å; D160-R164 PolarHBondContact OD1-NH2 3.42Å; D160-R164 IonicContact OD2-CZ 2.93Å; D160-R164 IonicContact OD2-NE 3.02Å; D160-R164 PolarHBondContact OD2-NE 3.46Å; D160-R164 VanDerWaalsContact OD2-NE 3.13Å; D160-R164 IonicContact OD2-NH2 3.9Å
161	Q	90.8	Very high	90.7	Very high	62 Å²	62	43.6 Å²	43.6	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-65.3	-43.7	180	-65.1	-65.3	-63.3	0	0	112.3	E157 L165 F192 M286	E157-Q161 WeakPolarHBondContact O-CB 3.5Å; E157-Q161 VanDerWaalsContact O-CG 3.23Å; E157-Q161 WeakPolarHBondContact O-CG 3.27Å; E157-Q161 PolarHBondContact O-N 3Å; Q161-L165 WeakPolarHBondContact O-CB 3.38Å; Q161-L165 PolarHBondContact O-N 3.21Å; Q161-F192 HydrophobicContact CB-CD2 4.15Å; Q161-F192 HydrophobicContact CB-CE2 4.2Å; Q161-F192 HydrophobicContact CG-CE2 4.35Å; Q161-M286 HydrophobicContact CB-CE 4.32Å
162	V	92.7	Very high	90.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.3	-41.5	-179.4	170.6	0	0	0	0	111.8	L158 L165 A166 F192 L195 A196	L158-V162 HydrophobicContact CD1-CG2 3.84Å; L158-V162 HydrophobicContact CG-CG2 4.3Å; L158-V162 VanDerWaalsContact O-CB 3.25Å; L158-V162 WeakPolarHBondContact O-CB 3.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 3.24Å; V162-L165 PolarHBondContact O-N 3.42Å; V162-A166 WeakPolarHBondContact O-CB 3.26Å; V162-A166 PolarHBondContact O-N 3.33Å; V162-F192 HydrophobicContact CG2-CB 4.22Å; V162-F192 HydrophobicContact CG2-CD1 4.38Å; V162-L195 HydrophobicContact CG1-CB 3.82Å; V162-L195 HydrophobicContact CG2-CB 3.86Å; V162-L195 HydrophobicContact CG2-CD1 4.15Å; V162-A196 HydrophobicContact CG1-CB 4.26Å
163	S	91.3	Very high	89.9	Confident	8 Å²	8	36.9 Å²	36.9	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-40.2	179.9	60.7	0	0	0	0	112.1	Q159 D160 A166 G167 H292	Q159-S163 WeakPolarHBondContact O-CB 3.38Å; Q159-S163 PolarHBondContact O-N 3.07Å; Q159-S163 PolarHBondContact O-OG 2.64Å; D160-S163 PolarHBondContact O-OG 3.08Å; S163-A166 PolarHBondContact O-N 3.29Å; S163-G167 PolarHBondContact O-N 2.8Å; S163-G167 VanDerWaalsContact O-N 3.11Å; S163-H292 PolarHBondContact O-N 2.85Å
164	R	90.9	Very high	89.6	Confident	81 Å²	81	36.8 Å²	36.8	31%	0.306	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-48.2	172.8	-79.1	179.3	-164.9	-125.1	5.7	112.3	D160 A166 G167 I168 M286 S289	D160-R164 VanDerWaalsContact CG-NE 3.3Å; D160-R164 WeakPolarHBondContact O-CB 3.33Å; D160-R164 VanDerWaalsContact O-CG 3.26Å; D160-R164 WeakPolarHBondContact O-CG 3.49Å; D160-R164 PolarHBondContact O-N 2.99Å; D160-R164 VanDerWaalsContact O-N 3.11Å; D160-R164 IonicContact OD1-CZ 3.4Å; D160-R164 IonicContact OD1-NE 2.94Å; D160-R164 PolarHBondContact OD1-NE 3.33Å; D160-R164 IonicContact OD1-NH2 2.92Å; D160-R164 PolarHBondContact OD1-NH2 3.42Å; D160-R164 IonicContact OD2-CZ 2.93Å; D160-R164 IonicContact OD2-NE 3.02Å; D160-R164 PolarHBondContact OD2-NE 3.46Å; D160-R164 VanDerWaalsContact OD2-NE 3.13Å; D160-R164 IonicContact OD2-NH2 3.9Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 2.76Å; R164-G167 WeakPolarHBondContact O-CA 3.47Å; R164-G167 PolarHBondContact O-N 2.86Å; R164-I168 PolarHBondContact O-N 3.47Å; R164-M286 HydrophobicContact CB-CE 3.9Å; R164-M286 HydrophobicContact CB-SD 4.11Å; R164-S289 VanDerWaalsContact CB-OG 3.24Å; R164-S289 WeakPolarHBondContact CB-OG 3.37Å; R164-S289 WeakPolarHBondContact CG-OG 3.4Å
165	L	89.9	Confident	89.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-39.3	177.9	-175.6	62.9	0	0	0	111.8	Q161 V162 G167 I168 L169 F192 A196 L262 W282 M286	Q161-L165 WeakPolarHBondContact O-CB 3.38Å; Q161-L165 PolarHBondContact O-N 3.21Å; V162-L165 PolarHBondContact O-N 3.42Å; L165-G167 VanDerWaalsContact C-N 3.3Å; L165-G167 PolarHBondContact O-N 2.95Å; L165-I168 HydrophobicContact CD1-CD1 4.16Å; L165-I168 WeakPolarHBondContact O-CB 3.45Å; L165-I168 PolarHBondContact O-N 2.95Å; L165-I168 VanDerWaalsContact O-N 3.15Å; L165-L169 WeakPolarHBondContact O-CG 3.36Å; L165-L169 PolarHBondContact O-N 2.73Å; L165-F192 HydrophobicContact CD2-CB 4.09Å; L165-A196 HydrophobicContact CB-CB 3.98Å; L165-A196 HydrophobicContact CD2-CB 3.77Å; L165-A196 HydrophobicContact CG-CB 3.81Å; L165-L262 HydrophobicContact CD1-CD2 3.76Å; L165-W282 HydrophobicContact CD1-CE3 4.37Å; L165-W282 HydrophobicContact CD1-CH2 3.66Å; L165-W282 HydrophobicContact CD1-CZ2 4.07Å; L165-W282 HydrophobicContact CD1-CZ3 3.81Å; L165-W282 HydrophobicContact CD2-CH2 3.32Å; L165-W282 HydrophobicContact CD2-CZ2 3.93Å; L165-W282 HydrophobicContact CD2-CZ3 4.09Å; L165-W282 HydrophobicContact CG-CH2 4.13Å; L165-M286 HydrophobicContact CB-SD 4.03Å; L165-M286 HydrophobicContact CD1-SD 4.29Å
166	A	88.8	Confident	89	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-40.9	173.2	0	0	0	0	0	111.8	V162 S163 R164 I168 L169 V170 A196 R199 I200 H292	V162-A166 WeakPolarHBondContact O-CB 3.26Å; V162-A166 PolarHBondContact O-N 3.33Å; S163-A166 PolarHBondContact O-N 3.29Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 2.76Å; A166-I168 VanDerWaalsContact C-N 3.31Å; A166-I168 PolarHBondContact O-N 2.85Å; A166-L169 PolarHBondContact O-N 3.26Å; A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 3.44Å; A166-A196 HydrophobicContact CB-CB 4.22Å; A166-R199 HydrophobicContact CB-CB 4.31Å; A166-R199 HydrophobicContact CB-CG 4.42Å; A166-I200 HydrophobicContact CB-CD1 4.02Å; A166-I200 HydrophobicContact CB-CG1 3.95Å; A166-I200 WeakPolarHBondContact O-CD1 3.5Å; A166-H292 HydrophobicContact CB-CB 4.04Å
167	G	87.4	Confident	88.5	Confident	13 Å²	13	42.1 Å²	42.1	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-38.9	173.1	0	0	0	0	0	113.5	S163 R164 L165 K171	S163-G167 PolarHBondContact O-N 2.8Å; S163-G167 VanDerWaalsContact O-N 3.11Å; R164-G167 WeakPolarHBondContact O-CA 3.47Å; R164-G167 PolarHBondContact O-N 2.86Å; L165-G167 VanDerWaalsContact C-N 3.3Å; L165-G167 PolarHBondContact O-N 2.95Å; G167-K171 VanDerWaalsContact O-CB 3.3Å; G167-K171 WeakPolarHBondContact O-CB 3.34Å; G167-K171 PolarHBondContact O-N 3.34Å
168	I	87.7	Confident	88.4	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-47.2	175.6	-60.5	167.1	0	0	0	110.7	R164 L165 A166 V170 K171 N172 E285 M286	R164-I168 PolarHBondContact O-N 3.47Å; L165-I168 HydrophobicContact CD1-CD1 4.16Å; L165-I168 WeakPolarHBondContact O-CB 3.45Å; L165-I168 PolarHBondContact O-N 2.95Å; L165-I168 VanDerWaalsContact O-N 3.15Å; A166-I168 VanDerWaalsContact C-N 3.31Å; A166-I168 PolarHBondContact O-N 2.85Å; I168-V170 VanDerWaalsContact C-N 3.34Å; I168-V170 PolarHBondContact O-N 3.2Å; I168-K171 PolarHBondContact O-N 3.12Å; I168-N172 PolarHBondContact O-N 3.14Å; I168-N172 PolarHBondContact O-ND2 3.44Å; I168-E285 VanDerWaalsContact CD1-C 3.47Å; I168-E285 HydrophobicContact CD1-CB 3.71Å; I168-E285 HydrophobicContact CG1-CB 4.05Å; I168-E285 HydrophobicContact CG2-CB 3.92Å; I168-E285 HydrophobicContact CG2-CG 4.31Å; I168-M286 HydrophobicContact CD1-CB 4.46Å; I168-M286 HydrophobicContact CD1-CG 3.86Å; I168-M286 HydrophobicContact CD1-SD 3.53Å; I168-M286 VanDerWaalsContact CD1-SD 3.53Å
169	L	87.8	Confident	88.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-45	-179.9	-65.4	176.6	0	0	0	110.9	L165 A166 N172 G173 V174 A196 I200 M227	L165-L169 WeakPolarHBondContact O-CG 3.36Å; L165-L169 PolarHBondContact O-N 2.73Å; A166-L169 PolarHBondContact O-N 3.26Å; L169-N172 CarbonylContact O-C 3.6Å; L169-N172 PolarHBondContact O-N 3.18Å; L169-G173 PolarHBondContact O-N 3.34Å; L169-V174 HydrophobicContact CB-CB 4.09Å; L169-V174 HydrophobicContact CB-CG2 4.11Å; L169-V174 HydrophobicContact CD2-CG2 4.49Å; L169-V174 VanDerWaalsContact O-CB 3.27Å; L169-V174 WeakPolarHBondContact O-CB 3.45Å; L169-V174 WeakPolarHBondContact O-CG2 3.42Å; L169-V174 PolarHBondContact O-N 2.95Å; L169-A196 HydrophobicContact CD1-CB 4.08Å; L169-I200 HydrophobicContact CB-CD1 3.55Å; L169-I200 HydrophobicContact CD1-CD1 3.89Å; L169-I200 HydrophobicContact CG-CD1 4.34Å; L169-M227 HydrophobicContact CD2-CE 3.89Å; L169-M227 HydrophobicContact CD2-SD 3.5Å; L169-M227 VanDerWaalsContact CD2-SD 3.5Å
170	V	88	Confident	88.3	Confident	52 Å²	52	38 Å²	38	32%	0.315	20%	0.2	S	C	.	.	H	α-helix	trans	-66.1	-42.3	178.3	175.3	0	0	0	0	112	A166 I168 N172 G173 I200	A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 3.44Å; I168-V170 VanDerWaalsContact C-N 3.34Å; I168-V170 PolarHBondContact O-N 3.2Å; V170-N172 PolarHBondContact O-N 3.22Å; V170-G173 WeakPolarHBondContact O-CA 3.27Å; V170-G173 PolarHBondContact O-N 2.88Å; V170-I200 HydrophobicContact CG2-CD1 3.7Å; V170-I200 HydrophobicContact CG2-CG1 3.8Å; V170-I200 HydrophobicContact CG2-CG2 4Å
171	K	87.4	Confident	88.3	Confident	135 Å²	135	35.2 Å²	35.2	59%	0.587	19%	0.185	S	C	*	.	H	α-helix	trans	-58.5	-34.7	175.1	178.7	-172.6	166.3	-157.1	0	112	G167 I168 G173 E285	G167-K171 VanDerWaalsContact O-CB 3.3Å; G167-K171 WeakPolarHBondContact O-CB 3.34Å; G167-K171 PolarHBondContact O-N 3.34Å; I168-K171 PolarHBondContact O-N 3.12Å; K171-G173 PolarHBondContact O-N 3.35Å; K171-E285 IonicContact NZ-OE1 2.78Å; K171-E285 IonicContact NZ-OE2 3.85Å; K171-E285 PolarHBondContact NZ-OE2 3.17Å
172	N	84.1	Confident	88.4	Confident	36 Å²	36	32.3 Å²	32.3	19%	0.193	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	12.5	176.3	-71.1	-75	0	0	0	113.3	I168 L169 V170 M227 L280	I168-N172 PolarHBondContact O-N 3.14Å; I168-N172 PolarHBondContact O-ND2 3.44Å; L169-N172 CarbonylContact O-C 3.6Å; L169-N172 PolarHBondContact O-N 3.18Å; V170-N172 PolarHBondContact O-N 3.22Å; N172-M227 HydrophobicContact CB-SD 4.26Å; N172-L280 WeakPolarHBondContact OD1-CD1 3.39Å
173	G	82	Confident	88.2	Confident	28 Å²	28	32.3 Å²	32.3	29%	0.289	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	6.7	169.3	0	0	0	0	0	115.2	L169 V170 K171 Q175 K226	L169-G173 PolarHBondContact O-N 3.34Å; V170-G173 WeakPolarHBondContact O-CA 3.27Å; V170-G173 PolarHBondContact O-N 2.88Å; K171-G173 PolarHBondContact O-N 3.35Å; G173-Q175 PolarHBondContact O-N 3.39Å; G173-K226 WeakPolarHBondContact O-CE 3.38Å; G173-K226 PolarHBondContact O-NZ 2.83Å
174	V	87.1	Confident	87.9	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.171	C	C	.	.			trans	-67.8	122.7	175.5	-179.9	0	0	0	0	110.1	L169 D178 V180 A202 M227	L169-V174 HydrophobicContact CB-CB 4.09Å; L169-V174 HydrophobicContact CB-CG2 4.11Å; L169-V174 HydrophobicContact CD2-CG2 4.49Å; L169-V174 VanDerWaalsContact O-CB 3.27Å; L169-V174 WeakPolarHBondContact O-CB 3.45Å; L169-V174 WeakPolarHBondContact O-CG2 3.42Å; L169-V174 PolarHBondContact O-N 2.95Å; V174-D178 HydrophobicContact CG1-CB 4.25Å; V174-V180 HydrophobicContact CG1-CG2 3.99Å; V174-V180 HydrophobicContact CG2-CG2 4.29Å; V174-A202 HydrophobicContact CG1-CB 3.63Å; V174-M227 HydrophobicContact CG2-CB 4.15Å; V174-M227 HydrophobicContact CG2-SD 4.12Å
175	Q	86.7	Confident	87.6	Confident	133 Å²	133	29.1 Å²	29.1	62%	0.621	16%	0.16	S	C	*	.			trans	-114.8	170.8	178	-64.8	-179	-11.7	0	0	111.3	G173 G177 D178	G173-Q175 PolarHBondContact O-N 3.39Å; Q175-G177 PolarHBondContact O-N 3.29Å; Q175-D178 WeakPolarHBondContact CB-OD2 3.4Å; Q175-D178 PolarHBondContact N-OD2 3.01Å; Q175-D178 WeakPolarHBondContact O-CB 3.46Å; Q175-D178 PolarHBondContact O-N 2.86Å
176	K	86	Confident	87.4	Confident	103 Å²	103	29.7 Å²	29.7	45%	0.448	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	127	175	177.2	-179	172.7	-180	0	110.4	D178 L297 P298	K176-D178 VanDerWaalsContact C-N 3.34Å; K176-L297 HydrophobicContact CD-CD2 3.63Å; K176-L297 HydrophobicContact CG-CD2 3.89Å; K176-P298 VanDerWaalsContact NZ-CD 3.29Å
177	G	83.1	Confident	87.4	Confident	35 Å²	35	29.8 Å²	29.8	36%	0.361	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-12.1	-178.3	0	0	0	0	0	114.8	Q175 G201	Q175-G177 PolarHBondContact O-N 3.29Å; G177-G201 PolarHBondContact N-O 3.49Å
178	D	89.1	Confident	87.5	Confident	43 Å²	43	29.3 Å²	29.3	23%	0.23	16%	0.158	C	C	.	.			trans	-72.2	136.9	173.8	-71.3	-28.4	0	0	0	110.8	V174 Q175 K176 A202 P203 K226	V174-D178 HydrophobicContact CG1-CB 4.25Å; Q175-D178 WeakPolarHBondContact CB-OD2 3.4Å; Q175-D178 PolarHBondContact N-OD2 3.01Å; Q175-D178 WeakPolarHBondContact O-CB 3.46Å; Q175-D178 PolarHBondContact O-N 2.86Å; K176-D178 VanDerWaalsContact C-N 3.34Å; D178-A202 VanDerWaalsContact O-CA 3.28Å; D178-A202 WeakPolarHBondContact O-CA 3.32Å; D178-A202 WeakPolarHBondContact O-CB 3.31Å; D178-P203 VanDerWaalsContact O-CD 3.24Å; D178-P203 WeakPolarHBondContact O-CD 3.36Å; D178-K226 HydrophobicContact CB-CB 4.31Å; D178-K226 HydrophobicContact CB-CD 4.02Å; D178-K226 IonicContact OD1-NZ 2.78Å; D178-K226 WeakPolarHBondContact OD2-CD 3.4Å; D178-K226 IonicContact OD2-NZ 2.77Å; D178-K226 PolarHBondContact OD2-NZ 3.45Å
179	L	89.8	Confident	87.6	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.163	C	C	.	.			trans	-88.5	133.3	-177.2	-166.9	152.2	0	0	0	111.6	V181 P203 A223 P225 K226 V305 W527	L179-V181 HydrophobicContact CD2-CG2 3.84Å; L179-P203 VanDerWaalsContact CA-O 3.27Å; L179-P203 WeakPolarHBondContact CA-O 3.38Å; L179-A223 HydrophobicContact CD1-CB 3.91Å; L179-A223 HydrophobicContact CD2-CB 3.68Å; L179-A223 HydrophobicContact CG-CB 4.45Å; L179-P225 HydrophobicContact CD2-CB 3.89Å; L179-P225 CarbonylContact O-C 3.55Å; L179-P225 VanDerWaalsContact O-CA 3.25Å; L179-P225 WeakPolarHBondContact O-CA 3.37Å; L179-K226 PolarHBondContact O-N 3.13Å; L179-V305 HydrophobicContact CD1-CB 4.32Å; L179-V305 HydrophobicContact CD1-CG2 3.94Å; L179-W527 HydrophobicContact CD1-CH2 4.15Å; L179-W527 HydrophobicContact CD1-CZ2 3.83Å
180	V	91.9	Very high	87.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.5	175.4	-179.4	0	0	0	0	110.2	V174 A202 P203 H204 S205 M227 V229	V174-V180 HydrophobicContact CG1-CG2 3.99Å; V174-V180 HydrophobicContact CG2-CG2 4.29Å; V180-A202 HydrophobicContact CG2-CB 4.2Å; V180-P203 PolarHBondContact N-O 3.48Å; V180-H204 CarbonylContact O-C 3.51Å; V180-H204 VanDerWaalsContact O-CA 3.24Å; V180-H204 WeakPolarHBondContact O-CA 3.44Å; V180-S205 PolarHBondContact O-N 3.39Å; V180-M227 WeakPolarHBondContact CA-O 3.47Å; V180-M227 HydrophobicContact CG1-CB 4.5Å; V180-M227 HydrophobicContact CG2-CB 4.5Å; V180-V229 HydrophobicContact CG1-CG2 4.04Å
181	V	92.4	Very high	88	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134	175.9	163.9	0	0	0	0	110.2	L179 S205 I207 P225 M227 L228 V229	L179-V181 HydrophobicContact CD2-CG2 3.84Å; V181-S205 CarbonylContact C-O 3.6Å; V181-S205 WeakPolarHBondContact CA-O 3.48Å; V181-I207 HydrophobicContact CG1-CD1 3.68Å; V181-I207 HydrophobicContact CG1-CG1 4.29Å; V181-I207 HydrophobicContact CG2-CD1 4.45Å; V181-P225 HydrophobicContact CB-CB 4.16Å; V181-P225 HydrophobicContact CB-CG 4.31Å; V181-P225 HydrophobicContact CG2-CB 3.72Å; V181-P225 HydrophobicContact CG2-CG 3.78Å; V181-M227 PolarHBondContact N-O 2.98Å; V181-L228 HydrophobicContact CB-CD1 4.5Å; V181-L228 HydrophobicContact CB-CG 4.41Å; V181-L228 HydrophobicContact CG1-CD1 4.02Å; V181-L228 HydrophobicContact CG1-CG 4.13Å; V181-L228 CarbonylContact O-C 3.58Å; V181-L228 WeakPolarHBondContact O-CA 3.37Å; V181-V229 PolarHBondContact O-N 3.13Å
182	I	91.8	Very high	88.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.8	177.3	-53	173.8	0	0	0	108.2	M184 T193 M194 H204 S205 L206 I207	I182-M184 HydrophobicContact CG2-CB 4.33Å; I182-M184 HydrophobicContact CG2-CG 4.04Å; I182-M184 HydrophobicContact CG2-SD 4.28Å; I182-T193 HydrophobicContact CD1-CG2 3.63Å; I182-T193 HydrophobicContact CG1-CG2 3.75Å; I182-M194 HydrophobicContact CD1-CB 4.45Å; I182-M194 HydrophobicContact CD1-CG 3.72Å; I182-H204 HydrophobicContact CD1-CB 3.89Å; I182-H204 HydrophobicContact CG1-CB 4.46Å; I182-S205 PolarHBondContact N-O 2.68Å; I182-L206 HydrophobicContact CB-CB 4.26Å; I182-L206 HydrophobicContact CB-CD1 4.47Å; I182-L206 HydrophobicContact CB-CG 4.02Å; I182-L206 HydrophobicContact CG2-CD1 4.22Å; I182-L206 HydrophobicContact CG2-CG 4.1Å; I182-L206 WeakPolarHBondContact O-CA 3.38Å; I182-I207 PolarHBondContact O-N 2.85Å
183	Y	88.1	Confident	88.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	78.2	178.3	-173.1	-116	0	0	0	109.4	I207 F208 G209 F211 L216 V229 T230 Y243 L246 V247	Y183-I207 HydrophobicContact CD2-CB 4.06Å; Y183-I207 HydrophobicContact CD2-CG2 3.94Å; Y183-I207 HydrophobicContact CE2-CG2 4.22Å; Y183-F208 WeakPolarHBondContact CE2-O 3.36Å; Y183-G209 PolarHBondContact OH-O 3.29Å; Y183-G209 VanDerWaalsContact OH-O 3.13Å; Y183-F211 PolarHBondContact OH-O 3.08Å; Y183-L216 HydrophobicContact CD1-CD2 4.12Å; Y183-L216 HydrophobicContact CD2-CD1 4.44Å; Y183-L216 HydrophobicContact CE1-CD2 4.17Å; Y183-L216 HydrophobicContact CG-CD2 4.36Å; Y183-V229 PolarHBondContact N-O 2.73Å; Y183-T230 VanDerWaalsContact O-CA 3.28Å; Y183-T230 WeakPolarHBondContact O-CA 3.28Å; Y183-T230 WeakPolarHBondContact O-CB 3.15Å; Y183-T230 PolarHBondContact O-OG1 2.66Å; Y183-Y243 AromaticContact CD1-CD1 3.49Å; Y183-Y243 HydrophobicContact CD1-CD1 3.49Å; Y183-Y243 VanDerWaalsContact CD1-CD1 3.49Å; Y183-Y243 HydrophobicContact CD1-CE1 4.16Å; Y183-Y243 HydrophobicContact CD1-CG 4.47Å; Y183-Y243 AromaticContact CE1-CD1 3.26Å; Y183-Y243 HydrophobicContact CE1-CD1 3.26Å; Y183-Y243 AromaticContact CE1-CE1 3.87Å; Y183-Y243 HydrophobicContact CE1-CE1 3.87Å; Y183-Y243 HydrophobicContact CE1-CG 4.09Å; Y183-Y243 HydrophobicContact CE2-CE1 4.4Å; Y183-Y243 HydrophobicContact CG-CD1 4.22Å; Y183-Y243 AromaticContact CZ-CD1 3.86Å; Y183-Y243 AromaticContact CZ-CE1 4Å; Y183-L246 HydrophobicContact CE1-CB 4.47Å; Y183-V247 HydrophobicContact CD1-CG2 3.6Å; Y183-V247 HydrophobicContact CE1-CG2 4.03Å
184	M	86.7	Confident	89.1	Confident	9 Å²	9	18.7 Å²	18.7	4%	0.044	10%	0.099	C	C	.	.			trans	-131.9	153.8	-173.5	-64.3	-172.9	85.1	0	0	111.3	I182 V187 Q189 A190 V229 A231 Y264	I182-M184 HydrophobicContact CG2-CB 4.33Å; I182-M184 HydrophobicContact CG2-CG 4.04Å; I182-M184 HydrophobicContact CG2-SD 4.28Å; M184-V187 HydrophobicContact CE-CG2 3.96Å; M184-Q189 HydrophobicContact CE-CB 3.76Å; M184-A190 HydrophobicContact CB-CB 3.97Å; M184-A190 HydrophobicContact SD-CB 4.25Å; M184-V229 HydrophobicContact SD-CG1 3.89Å; M184-A231 HydrophobicContact CE-CB 4.11Å; M184-A231 HydrophobicContact CG-CB 4.47Å; M184-Y264 HydrophobicContact CE-CD1 4.04Å; M184-Y264 HydrophobicContact CE-CG 4.12Å
185	P	84.5	Confident	89.4	Confident	13 Å²	13	18.6 Å²	18.6	8%	0.084	10%	0.098	C	C	.	.			trans	-71.2	-176.6	168.8	31.6	-35	0	0	0	111.6	V187 A231	P185-V187 HydrophobicContact CG-CG1 4.03Å; P185-V187 HydrophobicContact CG-CG2 4.35Å; P185-V187 PolarHBondContact O-N 3.29Å; P185-A231 VanDerWaalsContact CD-CB 3.47Å; P185-A231 HydrophobicContact CG-CB 4.12Å
186	M	84.3	Confident	89.6	Confident	13 Å²	13	12.2 Å²	12.2	6%	0.064	7%	0.069	C	C	.	.	S	Bend	trans	-70.8	70.2	178.2	-71.5	-65.4	-76.3	0	0	112.3	Y142 S349 D350 L351 I360 L373 E375	Y142-M186 WeakPolarHBondContact CE2-O 3.35Å; M186-S349 WeakPolarHBondContact CE-O 3.25Å; M186-D350 VanDerWaalsContact SD-CA 3.57Å; M186-D350 HydrophobicContact SD-CB 4.15Å; M186-L351 HydrophobicContact CE-CG 4.38Å; M186-L351 HydrophobicContact SD-CB 4Å; M186-L351 HydrophobicContact SD-CD1 4.16Å; M186-L351 HydrophobicContact SD-CG 3.71Å; M186-L351 PolarHBondContact SD-N 3.43Å; M186-I360 HydrophobicContact CE-CD1 4.07Å; M186-L373 HydrophobicContact CE-CD1 3.41Å; M186-L373 VanDerWaalsContact CE-CD1 3.41Å; M186-L373 HydrophobicContact CE-CG 4.4Å; M186-L373 HydrophobicContact SD-CD1 4.24Å; M186-E375 HydrophobicContact CB-CB 4.11Å; M186-E375 HydrophobicContact CB-CG 4.09Å; M186-E375 WeakPolarHBondContact O-CB 3.36Å
187	V	88.7	Confident	89.9	Confident	2 Å²	2	7.3 Å²	7.3	1%	0.012	5%	0.047	C	C	.	.			trans	-122.8	151	179.7	-64.8	0	0	0	0	111.3	M184 P185 Q189 A190	M184-V187 HydrophobicContact CE-CG2 3.96Å; P185-V187 HydrophobicContact CG-CG1 4.03Å; P185-V187 HydrophobicContact CG-CG2 4.35Å; P185-V187 PolarHBondContact O-N 3.29Å; V187-Q189 HydrophobicContact CG2-CB 4.19Å; V187-Q189 PolarHBondContact O-N 3.28Å; V187-Q189 VanDerWaalsContact O-N 3.11Å; V187-A190 HydrophobicContact CG2-CB 4.44Å; V187-A190 WeakPolarHBondContact O-CB 3.31Å; V187-A190 PolarHBondContact O-N 3.46Å
188	P	90.2	Very high	90.2	Very high	4 Å²	4	5.8 Å²	5.8	3%	0.026	3%	0.031	C	C	.	.	H	α-helix	trans	-56	-31.9	-179.5	-27.8	36.6	0	0	0	113.4	Y142 A190 M191 F192 L373	Y142-P188 HydrophobicContact CD1-CG 4.05Å; Y142-P188 HydrophobicContact CD2-CG 3.92Å; Y142-P188 HydrophobicContact CG-CG 3.64Å; P188-A190 PolarHBondContact O-N 3.45Å; P188-M191 WeakPolarHBondContact O-CA 3.27Å; P188-M191 WeakPolarHBondContact O-CB 3.35Å; P188-M191 PolarHBondContact O-N 2.98Å; P188-F192 HydrophobicContact CB-CE1 4.08Å; P188-F192 HydrophobicContact CB-CE2 4.17Å; P188-F192 HydrophobicContact CB-CZ 3.73Å; P188-F192 VanDerWaalsContact O-CD1 3.25Å; P188-F192 WeakPolarHBondContact O-CD1 3.41Å; P188-F192 VanDerWaalsContact O-CG 3.3Å; P188-F192 WeakPolarHBondContact O-CG 3.33Å; P188-F192 PolarHBondContact O-N 3.18Å; P188-L373 HydrophobicContact CG-CD2 4.07Å
189	Q	90.4	Very high	90.3	Very high	22 Å²	22	4.2 Å²	4.2	10%	0.103	2%	0.022	C	C	.	.	H	α-helix	trans	-60	-30.8	177.4	-68.3	76.7	8.6	0	0	112.8	M184 V187 F192 T193 Y264 W282	M184-Q189 HydrophobicContact CE-CB 3.76Å; V187-Q189 HydrophobicContact CG2-CB 4.19Å; V187-Q189 PolarHBondContact O-N 3.28Å; V187-Q189 VanDerWaalsContact O-N 3.11Å; Q189-F192 HydrophobicContact CG-CD2 4.36Å; Q189-F192 PolarHBondContact O-N 3.44Å; Q189-T193 WeakPolarHBondContact O-CB 3.23Å; Q189-T193 PolarHBondContact O-N 3.16Å; Q189-T193 PolarHBondContact O-OG1 2.62Å; Q189-Y264 HydrophobicContact CB-CD1 4.49Å; Q189-Y264 HydrophobicContact CB-CG 4.49Å; Q189-Y264 VanDerWaalsContact CD-CZ 3.43Å; Q189-Y264 HydrophobicContact CG-CD1 4.23Å; Q189-Y264 HydrophobicContact CG-CD2 3.93Å; Q189-Y264 HydrophobicContact CG-CE1 4.11Å; Q189-Y264 HydrophobicContact CG-CE2 3.83Å; Q189-Y264 HydrophobicContact CG-CG 4.14Å; Q189-Y264 VanDerWaalsContact NE2-CZ 3.29Å; Q189-Y264 PolarHBondContact NE2-OH 3.19Å; Q189-W282 HydrophobicContact CB-CH2 3.97Å; Q189-W282 HydrophobicContact CB-CZ2 3.95Å; Q189-W282 HydrophobicContact CG-CH2 4.37Å; Q189-W282 HydrophobicContact CG-CZ2 3.83Å
190	A	90.8	Very high	90.3	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.008	2%	0.022	C	C	.	.	H	α-helix	trans	-64.5	-44.2	173.6	0	0	0	0	0	110.5	M184 V187 P188 T193 M194 L351	M184-A190 HydrophobicContact CB-CB 3.97Å; M184-A190 HydrophobicContact SD-CB 4.25Å; V187-A190 HydrophobicContact CG2-CB 4.44Å; V187-A190 WeakPolarHBondContact O-CB 3.31Å; V187-A190 PolarHBondContact O-N 3.46Å; P188-A190 PolarHBondContact O-N 3.45Å; A190-T193 PolarHBondContact O-N 2.82Å; A190-M194 VanDerWaalsContact O-CG 3.31Å; A190-M194 WeakPolarHBondContact O-CG 3.29Å; A190-M194 PolarHBondContact O-N 2.94Å; A190-L351 HydrophobicContact CB-CD1 3.72Å
191	M	92.1	Very high	90	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.1	-40.5	174.7	-63.1	-177.9	60.1	0	0	111.9	I140 P188 T193 M194 L195 L351 I360 C361 L365 T371 L373	I140-M191 HydrophobicContact CD1-CB 4.3Å; I140-M191 HydrophobicContact CD1-CE 3.65Å; I140-M191 HydrophobicContact CD1-SD 3.88Å; I140-M191 HydrophobicContact CG1-CE 3.91Å; I140-M191 HydrophobicContact CG1-SD 4.31Å; I140-M191 HydrophobicContact CG2-SD 4.27Å; P188-M191 WeakPolarHBondContact O-CA 3.27Å; P188-M191 WeakPolarHBondContact O-CB 3.35Å; P188-M191 PolarHBondContact O-N 2.98Å; M191-T193 VanDerWaalsContact C-N 3.27Å; M191-T193 PolarHBondContact O-N 3.47Å; M191-M194 PolarHBondContact O-N 3.42Å; M191-L195 WeakPolarHBondContact O-CG 3.33Å; M191-L195 PolarHBondContact O-N 3.48Å; M191-L351 HydrophobicContact CG-CD1 3.84Å; M191-L351 HydrophobicContact CG-CD2 4.14Å; M191-I360 HydrophobicContact SD-CG2 4.26Å; M191-C361 HydrophobicContact CE-CB 4.1Å; M191-L365 HydrophobicContact CE-CD1 4.09Å; M191-T371 HydrophobicContact CE-CG2 3.96Å; M191-L373 HydrophobicContact SD-CD1 4.11Å; M191-L373 HydrophobicContact SD-CD2 4.15Å
192	F	92.9	Very high	89.9	Confident	5 Å²	5	4.3 Å²	4.3	2%	0.022	2%	0.023	C	C	.	.	H	α-helix	trans	-59.6	-42.1	176.2	-56.9	-16.5	0	0	0	110.9	I140 V153 L158 Q161 V162 L165 P188 Q189 L195 A196	I140-F192 HydrophobicContact CD1-CE1 3.96Å; V153-F192 HydrophobicContact CG1-CE1 4.36Å; V153-F192 HydrophobicContact CG1-CZ 4.19Å; V153-F192 HydrophobicContact CG2-CZ 4.36Å; L158-F192 HydrophobicContact CD1-CD1 3.39Å; L158-F192 HydrophobicContact CD1-CE1 3.38Å; Q161-F192 HydrophobicContact CB-CD2 4.15Å; Q161-F192 HydrophobicContact CB-CE2 4.2Å; Q161-F192 HydrophobicContact CG-CE2 4.35Å; V162-F192 HydrophobicContact CG2-CB 4.22Å; V162-F192 HydrophobicContact CG2-CD1 4.38Å; L165-F192 HydrophobicContact CD2-CB 4.09Å; P188-F192 HydrophobicContact CB-CE1 4.08Å; P188-F192 HydrophobicContact CB-CE2 4.17Å; P188-F192 HydrophobicContact CB-CZ 3.73Å; P188-F192 VanDerWaalsContact O-CD1 3.25Å; P188-F192 WeakPolarHBondContact O-CD1 3.41Å; P188-F192 VanDerWaalsContact O-CG 3.3Å; P188-F192 WeakPolarHBondContact O-CG 3.33Å; P188-F192 PolarHBondContact O-N 3.18Å; Q189-F192 HydrophobicContact CG-CD2 4.36Å; Q189-F192 PolarHBondContact O-N 3.44Å; F192-L195 PolarHBondContact O-N 3.06Å; F192-A196 VanDerWaalsContact O-CB 3.25Å; F192-A196 WeakPolarHBondContact O-CB 3.37Å; F192-A196 PolarHBondContact O-N 3.15Å
193	T	91.8	Very high	89.8	Confident	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-64.9	-44.9	177.6	-51.9	0	0	0	0	111.8	I182 Q189 A190 M191 L195 A196 C197 V229 W282	I182-T193 HydrophobicContact CD1-CG2 3.63Å; I182-T193 HydrophobicContact CG1-CG2 3.75Å; Q189-T193 WeakPolarHBondContact O-CB 3.23Å; Q189-T193 PolarHBondContact O-N 3.16Å; Q189-T193 PolarHBondContact O-OG1 2.62Å; A190-T193 PolarHBondContact O-N 2.82Å; M191-T193 VanDerWaalsContact C-N 3.27Å; M191-T193 PolarHBondContact O-N 3.47Å; T193-L195 VanDerWaalsContact C-N 3.32Å; T193-L195 PolarHBondContact O-N 3.27Å; T193-A196 PolarHBondContact O-N 3.25Å; T193-C197 WeakPolarHBondContact O-CB 3.32Å; T193-C197 PolarHBondContact O-N 2.88Å; T193-C197 PolarHBondContact O-SG 2.89Å; T193-V229 HydrophobicContact CG2-CB 3.97Å; T193-V229 HydrophobicContact CG2-CG1 4.02Å; T193-V229 HydrophobicContact CG2-CG2 3.74Å; T193-W282 WeakPolarHBondContact OG1-CH2 3.04Å
194	M	93	Very high	90	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.9	-45	176	-66.8	167.1	72.7	0	0	111.8	I182 A190 M191 A198 L206 L351 H357 C361 Y362	I182-M194 HydrophobicContact CD1-CB 4.45Å; I182-M194 HydrophobicContact CD1-CG 3.72Å; A190-M194 VanDerWaalsContact O-CG 3.31Å; A190-M194 WeakPolarHBondContact O-CG 3.29Å; A190-M194 PolarHBondContact O-N 2.94Å; M191-M194 PolarHBondContact O-N 3.42Å; M194-A198 WeakPolarHBondContact O-CB 3.46Å; M194-A198 PolarHBondContact O-N 3.37Å; M194-A198 VanDerWaalsContact O-N 3.08Å; M194-L206 HydrophobicContact CE-CD1 4.44Å; M194-L206 HydrophobicContact CG-CD1 3.99Å; M194-L206 HydrophobicContact SD-CD1 3.58Å; M194-L206 VanDerWaalsContact SD-CD1 3.58Å; M194-L351 HydrophobicContact SD-CD2 4.23Å; M194-H357 HydrophobicContact CE-CB 4.47Å; M194-C361 HydrophobicContact CE-CB 3.99Å; M194-Y362 HydrophobicContact CE-CE2 4.11Å
195	L	92.7	Very high	90.2	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-71.3	-36.6	179.6	-66.7	169.6	0	0	0	112	A125 V126 L158 V162 M191 F192 T193 A198 R199 Y362 L365	A125-L195 HydrophobicContact CB-CD2 4.31Å; V126-L195 HydrophobicContact CG2-CD1 4.12Å; L158-L195 HydrophobicContact CD1-CD1 3.98Å; L158-L195 HydrophobicContact CD2-CD1 4.19Å; L158-L195 HydrophobicContact CG-CD1 4.36Å; V162-L195 HydrophobicContact CG1-CB 3.82Å; V162-L195 HydrophobicContact CG2-CB 3.86Å; V162-L195 HydrophobicContact CG2-CD1 4.15Å; M191-L195 WeakPolarHBondContact O-CG 3.33Å; M191-L195 PolarHBondContact O-N 3.48Å; F192-L195 PolarHBondContact O-N 3.06Å; T193-L195 VanDerWaalsContact C-N 3.32Å; T193-L195 PolarHBondContact O-N 3.27Å; L195-A198 CarbonylContact O-C 3.47Å; L195-A198 PolarHBondContact O-N 3.24Å; L195-R199 WeakPolarHBondContact O-CB 3.41Å; L195-R199 PolarHBondContact O-N 3.41Å; L195-Y362 HydrophobicContact CD2-CE1 4.28Å; L195-L365 HydrophobicContact CD1-CD1 3.84Å; L195-L365 HydrophobicContact CD2-CD1 4.4Å
196	A	91.8	Very high	90.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.5	0	0	0	0	0	111.6	V162 L165 A166 L169 F192 T193 R199 I200	V162-A196 HydrophobicContact CG1-CB 4.26Å; L165-A196 HydrophobicContact CB-CB 3.98Å; L165-A196 HydrophobicContact CD2-CB 3.77Å; L165-A196 HydrophobicContact CG-CB 3.81Å; A166-A196 HydrophobicContact CB-CB 4.22Å; L169-A196 HydrophobicContact CD1-CB 4.08Å; F192-A196 VanDerWaalsContact O-CB 3.25Å; F192-A196 WeakPolarHBondContact O-CB 3.37Å; F192-A196 PolarHBondContact O-N 3.15Å; T193-A196 PolarHBondContact O-N 3.25Å; A196-R199 WeakPolarHBondContact O-CB 3.31Å; A196-R199 PolarHBondContact O-N 3.01Å; A196-R199 VanDerWaalsContact O-N 3.17Å; A196-I200 PolarHBondContact O-N 2.79Å
197	C	91.4	Very high	90.2	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-60	-45.7	171.8	-68.5	0	0	0	0	111.3	T193 R199 I200 G201 A202 H204	T193-C197 WeakPolarHBondContact O-CB 3.32Å; T193-C197 PolarHBondContact O-N 2.88Å; T193-C197 PolarHBondContact O-SG 2.89Å; C197-R199 VanDerWaalsContact C-N 3.27Å; C197-R199 PolarHBondContact O-N 2.75Å; C197-I200 PolarHBondContact O-N 3.47Å; C197-G201 PolarHBondContact O-N 3.06Å; C197-A202 CarbonylContact C-O 3.58Å; C197-A202 HydrophobicContact CB-CB 4.38Å; C197-A202 WeakPolarHBondContact CB-O 3.33Å; C197-A202 PolarHBondContact O-N 3.45Å; C197-H204 HydrophobicContact CB-CB 3.85Å
198	A	90.3	Very high	89.5	Confident	2 Å²	2	4.1 Å²	4.1	2%	0.017	2%	0.02	C	C	.	.	H	α-helix	trans	-63.2	-30	175.2	0	0	0	0	0	113.3	N120 M194 L195 L303	N120-A198 PolarHBondContact ND2-O 3.4Å; N120-A198 VanDerWaalsContact ND2-O 3.13Å; M194-A198 WeakPolarHBondContact O-CB 3.46Å; M194-A198 PolarHBondContact O-N 3.37Å; M194-A198 VanDerWaalsContact O-N 3.08Å; L195-A198 CarbonylContact O-C 3.47Å; L195-A198 PolarHBondContact O-N 3.24Å; A198-L303 HydrophobicContact CB-CD1 3.69Å
199	R	90.8	Very high	88.3	Confident	11 Å²	11	4.1 Å²	4.1	4%	0.042	2%	0.021	C	C	.	.	H	α-helix	trans	-67.3	-39.3	177.6	-165.8	172.5	-172.7	96.2	1.8	112.4	N120 C122 D127 A166 L195 A196 C197 H292 C294 V295	N120-R199 PolarHBondContact ND2-O 3.28Å; C122-R199 HydrophobicContact CB-CB 3.84Å; C122-R199 HydrophobicContact CB-CG 4.29Å; D127-R199 VanDerWaalsContact CG-NH1 3.26Å; D127-R199 IonicContact OD1-CZ 3.5Å; D127-R199 IonicContact OD1-NH1 3.56Å; D127-R199 PolarHBondContact OD1-NH1 3.38Å; D127-R199 IonicContact OD1-NH2 2.73Å; D127-R199 PolarHBondContact OD1-NH2 2.99Å; D127-R199 IonicContact OD2-CZ 2.96Å; D127-R199 IonicContact OD2-NH1 3.71Å; D127-R199 PolarHBondContact OD2-NH1 3.37Å; A166-R199 HydrophobicContact CB-CB 4.31Å; A166-R199 HydrophobicContact CB-CG 4.42Å; L195-R199 WeakPolarHBondContact O-CB 3.41Å; L195-R199 PolarHBondContact O-N 3.41Å; A196-R199 WeakPolarHBondContact O-CB 3.31Å; A196-R199 PolarHBondContact O-N 3.01Å; A196-R199 VanDerWaalsContact O-N 3.17Å; C197-R199 VanDerWaalsContact C-N 3.27Å; C197-R199 PolarHBondContact O-N 2.75Å; R199-H292 PolarHBondContact NE-O 2.84Å; R199-H292 PolarHBondContact NH2-O 3.28Å; R199-C294 HydrophobicContact CG-CB 4.47Å; R199-C294 PolarHBondContact NH1-SG 3.33Å; R199-V295 PolarHBondContact O-N 3.01Å
200	I	89.1	Confident	87.1	Confident	6 Å²	6	4.6 Å²	4.6	3%	0.031	3%	0.032	C	C	.	.	H	α-helix	trans	-83.4	-27.3	178.7	-57.5	160.3	0	0	0	111.3	A166 L169 V170 A196 C197	A166-I200 HydrophobicContact CB-CD1 4.02Å; A166-I200 HydrophobicContact CB-CG1 3.95Å; A166-I200 WeakPolarHBondContact O-CD1 3.5Å; L169-I200 HydrophobicContact CB-CD1 3.55Å; L169-I200 HydrophobicContact CD1-CD1 3.89Å; L169-I200 HydrophobicContact CG-CD1 4.34Å; V170-I200 HydrophobicContact CG2-CD1 3.7Å; V170-I200 HydrophobicContact CG2-CG1 3.8Å; V170-I200 HydrophobicContact CG2-CG2 4Å; A196-I200 PolarHBondContact O-N 2.79Å; C197-I200 PolarHBondContact O-N 3.47Å
201	G	85.9	Confident	85.9	Confident	2 Å²	2	5.7 Å²	5.7	2%	0.021	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	28.3	-168.6	0	0	0	0	0	113.4	G177 C197 H301	G177-G201 PolarHBondContact N-O 3.49Å; C197-G201 PolarHBondContact O-N 3.06Å; G201-H301 PolarHBondContact O-CE1 3.24Å; G201-H301 PolarHBondContact O-NE2 3.3Å
202	A	90.1	Very high	84.7	Confident	1 Å²	1	8 Å²	8	1%	0.008	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-85.7	118.7	167.3	0	0	0	0	0	108.5	V174 D178 V180 C197 H204	V174-A202 HydrophobicContact CG1-CB 3.63Å; D178-A202 VanDerWaalsContact O-CA 3.28Å; D178-A202 WeakPolarHBondContact O-CA 3.32Å; D178-A202 WeakPolarHBondContact O-CB 3.31Å; V180-A202 HydrophobicContact CG2-CB 4.2Å; C197-A202 CarbonylContact C-O 3.58Å; C197-A202 HydrophobicContact CB-CB 4.38Å; C197-A202 WeakPolarHBondContact CB-O 3.33Å; C197-A202 PolarHBondContact O-N 3.45Å; A202-H204 PolarHBondContact O-N 2.81Å
203	P	91.3	Very high	83.7	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-61.5	126.1	173	-20.2	32.5	0	0	0	109.5	D178 L179 V180 P302 L303	D178-P203 VanDerWaalsContact O-CD 3.24Å; D178-P203 WeakPolarHBondContact O-CD 3.36Å; L179-P203 VanDerWaalsContact CA-O 3.27Å; L179-P203 WeakPolarHBondContact CA-O 3.38Å; V180-P203 PolarHBondContact N-O 3.48Å; P203-P302 HydrophobicContact CB-CB 4.4Å; P203-P302 HydrophobicContact CG-CB 4.05Å; P203-P302 HydrophobicContact CG-CG 3.79Å; P203-P302 WeakPolarHBondContact CG-O 3.44Å; P203-L303 WeakPolarHBondContact CA-O 3.39Å
204	H	92.3	Very high	82.5	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	153.5	175.3	68.9	84	0	0	0	111.4	V180 I182 C197 A202 L303 Y304 V305 H357 Y362	V180-H204 CarbonylContact O-C 3.51Å; V180-H204 VanDerWaalsContact O-CA 3.24Å; V180-H204 WeakPolarHBondContact O-CA 3.44Å; I182-H204 HydrophobicContact CD1-CB 3.89Å; I182-H204 HydrophobicContact CG1-CB 4.46Å; C197-H204 HydrophobicContact CB-CB 3.85Å; A202-H204 PolarHBondContact O-N 2.81Å; H204-L303 PolarHBondContact N-O 2.89Å; H204-Y304 VanDerWaalsContact CE1-CB 3.48Å; H204-Y304 WeakPolarHBondContact CE1-CB 3.38Å; H204-Y304 CarbonylContact O-C 3.53Å; H204-Y304 WeakPolarHBondContact O-CA 3.31Å; H204-Y304 VanDerWaalsContact O-CB 3.25Å; H204-Y304 WeakPolarHBondContact O-CB 3.4Å; H204-V305 PolarHBondContact O-N 3.37Å; H204-H357 AromaticContact CE1-CD2 3.74Å; H204-H357 AromaticContact CE1-NE2 3.7Å; H204-Y362 AromaticContact NE2-CZ 3.87Å; H204-Y362 PolarHBondContact NE2-OH 2.8Å
205	S	90.2	Very high	81.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	101.7	172.2	-168.3	0	0	0	0	109.4	V180 V181 I182 V305 Y307	V180-S205 PolarHBondContact O-N 3.39Å; V181-S205 CarbonylContact C-O 3.6Å; V181-S205 WeakPolarHBondContact CA-O 3.48Å; I182-S205 PolarHBondContact N-O 2.68Å; S205-V305 VanDerWaalsContact CA-O 3.31Å; S205-V305 WeakPolarHBondContact CA-O 3.34Å; S205-V305 VanDerWaalsContact CB-O 3.29Å; S205-V305 WeakPolarHBondContact CB-O 3.44Å; S205-V305 PolarHBondContact OG-O 3.4Å; S205-Y307 WeakPolarHBondContact OG-CD2 3.4Å; S205-Y307 VanDerWaalsContact OG-CE2 3.32Å; S205-Y307 WeakPolarHBondContact OG-CE2 3.33Å
206	L	87.3	Confident	80.7	Confident	7 Å²	7	17.5 Å²	17.5	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.4	179.5	-162.3	159.1	0	0	0	109.8	I182 M194 L351 G352	I182-L206 HydrophobicContact CB-CB 4.26Å; I182-L206 HydrophobicContact CB-CD1 4.47Å; I182-L206 HydrophobicContact CB-CG 4.02Å; I182-L206 HydrophobicContact CG2-CD1 4.22Å; I182-L206 HydrophobicContact CG2-CG 4.1Å; I182-L206 WeakPolarHBondContact O-CA 3.38Å; M194-L206 HydrophobicContact CE-CD1 4.44Å; M194-L206 HydrophobicContact CG-CD1 3.99Å; M194-L206 HydrophobicContact SD-CD1 3.58Å; M194-L206 VanDerWaalsContact SD-CD1 3.58Å; L206-L351 HydrophobicContact CD1-CB 3.87Å; L206-L351 HydrophobicContact CD2-CB 4.34Å; L206-L351 WeakPolarHBondContact CD2-O 3.43Å; L206-G352 VanDerWaalsContact CD2-CA 3.47Å
207	I	80.4	Confident	80	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.015	10%	0.101	C	C	.	.			trans	-107.2	128.9	-179.2	-59.7	176.8	0	0	0	107.9	V181 I182 Y183 G209 F211 L216 R219	V181-I207 HydrophobicContact CG1-CD1 3.68Å; V181-I207 HydrophobicContact CG1-CG1 4.29Å; V181-I207 HydrophobicContact CG2-CD1 4.45Å; I182-I207 PolarHBondContact O-N 2.85Å; Y183-I207 HydrophobicContact CD2-CB 4.06Å; Y183-I207 HydrophobicContact CD2-CG2 3.94Å; Y183-I207 HydrophobicContact CE2-CG2 4.22Å; I207-G209 PolarHBondContact O-N 3.37Å; I207-F211 HydrophobicContact CG2-CB 4.41Å; I207-F211 HydrophobicContact CG2-CD2 3.69Å; I207-F211 HydrophobicContact CG2-CE2 4.49Å; I207-F211 HydrophobicContact CG2-CG 4.47Å; I207-L216 HydrophobicContact CD1-CD1 3.47Å; I207-L216 VanDerWaalsContact CD1-CD1 3.47Å; I207-L216 HydrophobicContact CG2-CD1 4.27Å; I207-R219 HydrophobicContact CD1-CB 3.74Å; I207-R219 HydrophobicContact CD1-CG 4.42Å
208	F	75.1	Confident	79.3	Confident	23 Å²	23	20.2 Å²	20.2	10%	0.101	12%	0.116	C	C	.	.			trans	-59.8	131	179.9	175.6	-109.2	0	0	0	111.8	Y183 G210 F211 D350	Y183-F208 WeakPolarHBondContact CE2-O 3.36Å; F208-G210 VanDerWaalsContact CD1-N 3.31Å; F208-G210 VanDerWaalsContact CE1-CA 3.46Å; F208-G210 PolarHBondContact O-N 3.44Å; F208-G210 VanDerWaalsContact O-N 3.12Å; F208-F211 HydrophobicContact CB-CD2 3.66Å; F208-F211 HydrophobicContact CB-CE2 3.6Å; F208-F211 HydrophobicContact CD1-CD2 4.4Å; F208-F211 WeakPolarHBondContact O-CB 3.14Å; F208-F211 VanDerWaalsContact O-CD2 3.25Å; F208-F211 WeakPolarHBondContact O-CD2 3.32Å; F208-F211 PolarHBondContact O-N 3.05Å; F208-D350 HydrophobicContact CD2-CB 4.2Å; F208-D350 HydrophobicContact CE2-CB 4.06Å
209	G	65.3	Low	78.8	Confident	3 Å²	3	20.7 Å²	20.7	3%	0.031	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.9	-172.9	0	0	0	0	0	116.6	Y183 I207 Y243	Y183-G209 PolarHBondContact OH-O 3.29Å; Y183-G209 VanDerWaalsContact OH-O 3.13Å; I207-G209 PolarHBondContact O-N 3.37Å; G209-Y243 VanDerWaalsContact CA-OH 3.24Å; G209-Y243 WeakPolarHBondContact CA-OH 3.32Å; G209-Y243 PolarHBondContact O-OH 3.32Å
210	G	64.6	Low	78.5	Confident	33 Å²	33	20.2 Å²	20.2	34%	0.34	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.5	172.6	0	0	0	0	0	114.8	F208	F208-G210 VanDerWaalsContact CD1-N 3.31Å; F208-G210 VanDerWaalsContact CE1-CA 3.46Å; F208-G210 PolarHBondContact O-N 3.44Å; F208-G210 VanDerWaalsContact O-N 3.12Å
211	F	65.8	Low	78.2	Confident	24 Å²	24	22.1 Å²	22.1	11%	0.105	13%	0.126	C	C	.	.			trans	-71.5	143	176.8	-77.7	-56.5	0	0	0	112.1	Y183 I207 F208 E215 T679	Y183-F211 PolarHBondContact OH-O 3.08Å; I207-F211 HydrophobicContact CG2-CB 4.41Å; I207-F211 HydrophobicContact CG2-CD2 3.69Å; I207-F211 HydrophobicContact CG2-CE2 4.49Å; I207-F211 HydrophobicContact CG2-CG 4.47Å; F208-F211 HydrophobicContact CB-CD2 3.66Å; F208-F211 HydrophobicContact CB-CE2 3.6Å; F208-F211 HydrophobicContact CD1-CD2 4.4Å; F208-F211 WeakPolarHBondContact O-CB 3.14Å; F208-F211 VanDerWaalsContact O-CD2 3.25Å; F208-F211 WeakPolarHBondContact O-CD2 3.32Å; F208-F211 PolarHBondContact O-N 3.05Å; F211-E215 HydrophobicContact CB-CB 4.11Å; F211-E215 HydrophobicContact CD1-CB 4.11Å; F211-E215 HydrophobicContact CD1-CG 4.31Å; F211-E215 HydrophobicContact CG-CB 4.33Å; F211-T679 HydrophobicContact CD1-CG2 4.11Å; F211-T679 HydrophobicContact CE1-CG2 3.35Å; F211-T679 HydrophobicContact CZ-CG2 4.11Å
212	A	66.6	Low	78	Confident	47 Å²	47	24.3 Å²	24.3	39%	0.388	14%	0.135	S	C	.	.			trans	-72.8	160.9	175.8	0	0	0	0	0	112.3	K214 E215 L216	A212-K214 PolarHBondContact O-N 2.94Å; A212-K214 VanDerWaalsContact O-N 3.13Å; A212-E215 WeakPolarHBondContact O-CB 3.42Å; A212-E215 PolarHBondContact O-N 3.05Å; A212-L216 PolarHBondContact O-N 2.8Å
213	S	72.9	Confident	77.6	Confident	12 Å²	12	24.4 Å²	24.4	8%	0.084	14%	0.136	C	C	.	.	H	α-helix	trans	-53.2	-36	179.6	-57.9	0	0	0	0	114.3	L216 S217 L246 A250	S213-L216 PolarHBondContact O-N 2.96Å; S213-S217 WeakPolarHBondContact O-CB 3.14Å; S213-S217 PolarHBondContact O-N 2.97Å; S213-L246 WeakPolarHBondContact CB-O 3.47Å; S213-L246 VanDerWaalsContact OG-CA 3.29Å; S213-L246 WeakPolarHBondContact OG-CA 3.42Å; S213-L246 WeakPolarHBondContact OG-CD2 3.48Å; S213-L246 PolarHBondContact OG-O 3.35Å; S213-A250 VanDerWaalsContact O-CB 3.28Å; S213-A250 WeakPolarHBondContact O-CB 3.43Å
214	K	66.7	Low	77.4	Confident	138 Å²	138	30.3 Å²	30.3	60%	0.6	16%	0.162	S	C	*	.	H	α-helix	trans	-65.4	-41.4	177	-174.9	178.7	-179	178.7	0	112.4	A212 L216 S217 V218 M253	A212-K214 PolarHBondContact O-N 2.94Å; A212-K214 VanDerWaalsContact O-N 3.13Å; K214-L216 VanDerWaalsContact C-N 3.3Å; K214-S217 PolarHBondContact O-N 2.99Å; K214-S217 PolarHBondContact O-OG 2.78Å; K214-V218 VanDerWaalsContact O-CG2 3.29Å; K214-V218 WeakPolarHBondContact O-CG2 3.34Å; K214-V218 PolarHBondContact O-N 2.99Å; K214-V218 VanDerWaalsContact O-N 3.13Å; K214-M253 HydrophobicContact CB-CE 4Å; K214-M253 HydrophobicContact CG-CE 4.02Å
215	E	70.3	Confident	77.2	Confident	55 Å²	55	30.3 Å²	30.3	26%	0.257	16%	0.162	S	C	.	.	H	α-helix	trans	-70.1	-33.3	178.3	-76.7	-59.1	139.3	0	0	111.4	F211 A212 R219 P678	F211-E215 HydrophobicContact CB-CB 4.11Å; F211-E215 HydrophobicContact CD1-CB 4.11Å; F211-E215 HydrophobicContact CD1-CG 4.31Å; F211-E215 HydrophobicContact CG-CB 4.33Å; A212-E215 WeakPolarHBondContact O-CB 3.42Å; A212-E215 PolarHBondContact O-N 3.05Å; E215-R219 WeakPolarHBondContact O-CG 3.46Å; E215-R219 PolarHBondContact O-N 2.81Å; E215-R219 PolarHBondContact O-NH1 2.92Å; E215-R219 IonicContact OE2-CZ 3.46Å; E215-R219 IonicContact OE2-NH1 3.75Å; E215-R219 PolarHBondContact OE2-NH1 3.36Å; E215-R219 IonicContact OE2-NH2 3.26Å; E215-P678 HydrophobicContact CG-CG 3.84Å
216	L	76.6	Confident	77.1	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-45.4	171.5	179.5	58.4	0	0	0	111.3	Y183 I207 A212 S213 K214 V218 R219 I220 V247 A250	Y183-L216 HydrophobicContact CD1-CD2 4.12Å; Y183-L216 HydrophobicContact CD2-CD1 4.44Å; Y183-L216 HydrophobicContact CE1-CD2 4.17Å; Y183-L216 HydrophobicContact CG-CD2 4.36Å; I207-L216 HydrophobicContact CD1-CD1 3.47Å; I207-L216 VanDerWaalsContact CD1-CD1 3.47Å; I207-L216 HydrophobicContact CG2-CD1 4.27Å; A212-L216 PolarHBondContact O-N 2.8Å; S213-L216 PolarHBondContact O-N 2.96Å; K214-L216 VanDerWaalsContact C-N 3.3Å; L216-V218 PolarHBondContact O-N 2.82Å; L216-R219 PolarHBondContact O-N 2.89Å; L216-I220 HydrophobicContact CD1-CD1 3.88Å; L216-I220 HydrophobicContact CD1-CG1 4.11Å; L216-I220 HydrophobicContact CD2-CD1 4.46Å; L216-I220 HydrophobicContact CG-CD1 3.75Å; L216-I220 HydrophobicContact CG-CG1 4.39Å; L216-I220 WeakPolarHBondContact O-CG1 3.3Å; L216-I220 PolarHBondContact O-N 2.9Å; L216-V247 HydrophobicContact CD2-CG2 4.02Å; L216-A250 HydrophobicContact CB-CB 3.89Å; L216-A250 HydrophobicContact CD2-CB 3.62Å; L216-A250 HydrophobicContact CG-CB 3.69Å
217	S	76.9	Confident	77.2	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-44.8	-178.5	74.5	0	0	0	0	112.1	S213 K214 R219 I220 D221 A250	S213-S217 WeakPolarHBondContact O-CB 3.14Å; S213-S217 PolarHBondContact O-N 2.97Å; K214-S217 PolarHBondContact O-N 2.99Å; K214-S217 PolarHBondContact O-OG 2.78Å; S217-R219 VanDerWaalsContact C-N 3.26Å; S217-R219 PolarHBondContact O-N 2.77Å; S217-I220 PolarHBondContact O-N 2.56Å; S217-I220 VanDerWaalsContact O-N 3.15Å; S217-D221 WeakPolarHBondContact O-CB 3.46Å; S217-D221 PolarHBondContact O-N 3.43Å; S217-A250 WeakPolarHBondContact CB-O 3.21Å
218	V	76.3	Confident	77.7	Confident	52 Å²	52	32.7 Å²	32.7	32%	0.315	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-37.6	178.1	175	0	0	0	0	111.4	K214 L216 H222 P315	K214-V218 VanDerWaalsContact O-CG2 3.29Å; K214-V218 WeakPolarHBondContact O-CG2 3.34Å; K214-V218 PolarHBondContact O-N 2.99Å; K214-V218 VanDerWaalsContact O-N 3.13Å; L216-V218 PolarHBondContact O-N 2.82Å; V218-H222 WeakPolarHBondContact O-CB 3.4Å; V218-H222 PolarHBondContact O-N 2.73Å; V218-H222 VanDerWaalsContact O-N 3.14Å; V218-P315 HydrophobicContact CG1-CG 3.83Å
219	R	81.3	Confident	78.4	Confident	12 Å²	12	31.6 Å²	31.6	5%	0.045	17%	0.167	C	C	.	.	H	α-helix	trans	-73.3	-37.5	176.4	-72	173.9	178.9	74.6	-1.1	112.3	I207 E215 L216 S217 H222 A223 Y307	I207-R219 HydrophobicContact CD1-CB 3.74Å; I207-R219 HydrophobicContact CD1-CG 4.42Å; E215-R219 WeakPolarHBondContact O-CG 3.46Å; E215-R219 PolarHBondContact O-N 2.81Å; E215-R219 PolarHBondContact O-NH1 2.92Å; E215-R219 IonicContact OE2-CZ 3.46Å; E215-R219 IonicContact OE2-NH1 3.75Å; E215-R219 PolarHBondContact OE2-NH1 3.36Å; E215-R219 IonicContact OE2-NH2 3.26Å; L216-R219 PolarHBondContact O-N 2.89Å; S217-R219 VanDerWaalsContact C-N 3.26Å; S217-R219 PolarHBondContact O-N 2.77Å; R219-H222 PolarHBondContact O-N 3.37Å; R219-A223 WeakPolarHBondContact O-CB 3.33Å; R219-A223 PolarHBondContact O-N 2.9Å; R219-Y307 HydrophobicContact CB-CD2 4.23Å; R219-Y307 HydrophobicContact CB-CE2 4.21Å; R219-Y307 HydrophobicContact CG-CD1 4.33Å; R219-Y307 HydrophobicContact CG-CD2 3.9Å; R219-Y307 HydrophobicContact CG-CE2 4.3Å; R219-Y307 HydrophobicContact CG-CG 3.92Å
220	I	83.4	Confident	79.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-45	174.8	-69.5	170.3	0	0	0	110.1	L216 S217 H222 A223 K224 P225 L228 L251 S254	L216-I220 HydrophobicContact CD1-CD1 3.88Å; L216-I220 HydrophobicContact CD1-CG1 4.11Å; L216-I220 HydrophobicContact CD2-CD1 4.46Å; L216-I220 HydrophobicContact CG-CD1 3.75Å; L216-I220 HydrophobicContact CG-CG1 4.39Å; L216-I220 WeakPolarHBondContact O-CG1 3.3Å; L216-I220 PolarHBondContact O-N 2.9Å; S217-I220 PolarHBondContact O-N 2.56Å; S217-I220 VanDerWaalsContact O-N 3.15Å; I220-H222 VanDerWaalsContact C-N 3.31Å; I220-H222 PolarHBondContact O-N 3.42Å; I220-A223 PolarHBondContact O-N 2.78Å; I220-K224 WeakPolarHBondContact O-CA 3.45Å; I220-K224 PolarHBondContact O-N 2.64Å; I220-P225 HydrophobicContact CG2-CG 4.04Å; I220-P225 WeakPolarHBondContact O-CD 3.36Å; I220-L228 HydrophobicContact CD1-CD1 3.84Å; I220-L251 HydrophobicContact CD1-CD2 4.27Å; I220-S254 WeakPolarHBondContact CG2-OG 3.18Å
221	D	83.4	Confident	80.5	Confident	46 Å²	46	29.9 Å²	29.9	25%	0.246	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-39.3	178.3	-76.5	-29.1	0	0	0	112.3	S217 K224 S254 S255 H256	S217-D221 WeakPolarHBondContact O-CB 3.46Å; S217-D221 PolarHBondContact O-N 3.43Å; D221-K224 WeakPolarHBondContact O-CG 3.39Å; D221-S254 WeakPolarHBondContact OD1-CA 3.46Å; D221-S254 WeakPolarHBondContact OD1-CB 3.44Å; D221-S254 PolarHBondContact OD1-OG 2.86Å; D221-S255 PolarHBondContact OD1-N 3.23Å; D221-H256 PolarHBondContact OD1-N 3.21Å
222	H	80.9	Confident	81.2	Confident	48 Å²	48	28.8 Å²	28.8	22%	0.222	14%	0.144	C	C	.	.	H	α-helix	trans	-76.3	-43.5	178.7	-170.6	-93.7	0	0	0	112.6	V218 R219 I220 Y307 P315 W527	V218-H222 WeakPolarHBondContact O-CB 3.4Å; V218-H222 PolarHBondContact O-N 2.73Å; V218-H222 VanDerWaalsContact O-N 3.14Å; R219-H222 PolarHBondContact O-N 3.37Å; I220-H222 VanDerWaalsContact C-N 3.31Å; I220-H222 PolarHBondContact O-N 3.42Å; H222-Y307 AromaticContact ND1-CE1 3.45Å; H222-Y307 WeakPolarHBondContact ND1-CE1 3.34Å; H222-Y307 AromaticContact ND1-CZ 3.65Å; H222-Y307 PolarHBondContact ND1-OH 3.44Å; H222-P315 HydrophobicContact CB-CG 4.16Å; H222-W527 AromaticContact CE1-CD1 3.67Å; H222-W527 PolarHBondContact CE1-O 2.95Å; H222-W527 AromaticContact ND1-CD1 3.7Å
223	A	82.4	Confident	81.6	Confident	3 Å²	3	27.6 Å²	27.6	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-76.4	-26.3	-176.9	0	0	0	0	0	112.9	L179 R219 I220 Y307	L179-A223 HydrophobicContact CD1-CB 3.91Å; L179-A223 HydrophobicContact CD2-CB 3.68Å; L179-A223 HydrophobicContact CG-CB 4.45Å; R219-A223 WeakPolarHBondContact O-CB 3.33Å; R219-A223 PolarHBondContact O-N 2.9Å; I220-A223 PolarHBondContact O-N 2.78Å; A223-Y307 WeakPolarHBondContact CA-OH 3.37Å; A223-Y307 HydrophobicContact CB-CE2 4.17Å; A223-Y307 VanDerWaalsContact CB-OH 3.28Å; A223-Y307 WeakPolarHBondContact CB-OH 3.44Å; A223-Y307 PolarHBondContact N-OH 2.94Å
224	K	86.3	Confident	81.7	Confident	124 Å²	124	27.1 Å²	27.1	54%	0.539	13%	0.128	S	C	.	.			trans	45.1	58.2	-173	-61	-176	-179.5	177.6	0	112.5	I220 D221	I220-K224 WeakPolarHBondContact O-CA 3.45Å; I220-K224 PolarHBondContact O-N 2.64Å; D221-K224 WeakPolarHBondContact O-CG 3.39Å
225	P	88.7	Confident	82	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.			trans	-66.8	146.5	-175.1	29.4	-35.4	0	0	0	111.7	L179 V181 I220 H256	L179-P225 HydrophobicContact CD2-CB 3.89Å; L179-P225 CarbonylContact O-C 3.55Å; L179-P225 VanDerWaalsContact O-CA 3.25Å; L179-P225 WeakPolarHBondContact O-CA 3.37Å; V181-P225 HydrophobicContact CB-CB 4.16Å; V181-P225 HydrophobicContact CB-CG 4.31Å; V181-P225 HydrophobicContact CG2-CB 3.72Å; V181-P225 HydrophobicContact CG2-CG 3.78Å; I220-P225 HydrophobicContact CG2-CG 4.04Å; I220-P225 WeakPolarHBondContact O-CD 3.36Å; P225-H256 PolarHBondContact O-NE2 2.63Å
226	K	87.6	Confident	81.9	Confident	58 Å²	58	21.8 Å²	21.8	25%	0.252	11%	0.106	S	C	.	.	S	Bend	trans	-78.7	-34.1	171.3	-165.1	169.2	-162.7	169.4	0	111.7	G173 D178 L179 S259	G173-K226 WeakPolarHBondContact O-CE 3.38Å; G173-K226 PolarHBondContact O-NZ 2.83Å; D178-K226 HydrophobicContact CB-CB 4.31Å; D178-K226 HydrophobicContact CB-CD 4.02Å; D178-K226 IonicContact OD1-NZ 2.78Å; D178-K226 WeakPolarHBondContact OD2-CD 3.4Å; D178-K226 IonicContact OD2-NZ 2.77Å; D178-K226 PolarHBondContact OD2-NZ 3.45Å; L179-K226 PolarHBondContact O-N 3.13Å; K226-S259 WeakPolarHBondContact O-CB 3.28Å; K226-S259 PolarHBondContact O-N 2.99Å
227	M	89.7	Confident	81.3	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.8	-177.7	-167.4	164.1	173.4	0	0	110.7	L169 N172 V174 V180 V181 K260 L262 L280	L169-M227 HydrophobicContact CD2-CE 3.89Å; L169-M227 HydrophobicContact CD2-SD 3.5Å; L169-M227 VanDerWaalsContact CD2-SD 3.5Å; N172-M227 HydrophobicContact CB-SD 4.26Å; V174-M227 HydrophobicContact CG2-CB 4.15Å; V174-M227 HydrophobicContact CG2-SD 4.12Å; V180-M227 WeakPolarHBondContact CA-O 3.47Å; V180-M227 HydrophobicContact CG1-CB 4.5Å; V180-M227 HydrophobicContact CG2-CB 4.5Å; V181-M227 PolarHBondContact N-O 2.98Å; M227-K260 WeakPolarHBondContact CA-O 3.35Å; M227-K260 HydrophobicContact CG-CB 4.46Å; M227-K260 WeakPolarHBondContact CG-O 3.42Å; M227-L262 HydrophobicContact CE-CB 3.58Å; M227-L262 HydrophobicContact CE-CD2 4.34Å; M227-L262 HydrophobicContact CE-CG 4.44Å; M227-L280 HydrophobicContact CE-CD1 4.06Å
228	L	90.1	Very high	80.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.9	174.1	-173.9	149.7	0	0	0	109.2	V181 I220 T230 V247 P258 K260 V261 L262	V181-L228 HydrophobicContact CB-CD1 4.5Å; V181-L228 HydrophobicContact CB-CG 4.41Å; V181-L228 HydrophobicContact CG1-CD1 4.02Å; V181-L228 HydrophobicContact CG1-CG 4.13Å; V181-L228 CarbonylContact O-C 3.58Å; V181-L228 WeakPolarHBondContact O-CA 3.37Å; I220-L228 HydrophobicContact CD1-CD1 3.84Å; L228-T230 HydrophobicContact CD2-CG2 4.12Å; L228-V247 HydrophobicContact CD1-CG1 4.38Å; L228-V247 HydrophobicContact CD2-CG1 4.05Å; L228-V247 HydrophobicContact CD2-CG2 4.4Å; L228-P258 HydrophobicContact CB-CB 4.48Å; L228-P258 HydrophobicContact CB-CG 4.26Å; L228-K260 PolarHBondContact N-O 3.39Å; L228-K260 VanDerWaalsContact N-O 3.12Å; L228-V261 HydrophobicContact CB-CG2 4.35Å; L228-V261 HydrophobicContact CD2-CG1 3.74Å; L228-V261 CarbonylContact O-C 3.53Å; L228-V261 VanDerWaalsContact O-CA 3.23Å; L228-V261 WeakPolarHBondContact O-CA 3.43Å; L228-L262 PolarHBondContact O-N 3.34Å
229	V	90.4	Very high	80.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.2	176	-174.1	0	0	0	0	108.5	V180 V181 Y183 M184 T193 L262 W282	V180-V229 HydrophobicContact CG1-CG2 4.04Å; V181-V229 PolarHBondContact O-N 3.13Å; Y183-V229 PolarHBondContact N-O 2.73Å; M184-V229 HydrophobicContact SD-CG1 3.89Å; T193-V229 HydrophobicContact CG2-CB 3.97Å; T193-V229 HydrophobicContact CG2-CG1 4.02Å; T193-V229 HydrophobicContact CG2-CG2 3.74Å; V229-L262 WeakPolarHBondContact CA-O 3.31Å; V229-L262 HydrophobicContact CG1-CB 4.3Å; V229-L262 HydrophobicContact CG1-CD2 4.26Å; V229-L262 HydrophobicContact CG2-CB 4.21Å; V229-L262 HydrophobicContact CG2-CD2 4.44Å; V229-W282 HydrophobicContact CG1-CE3 4.42Å; V229-W282 HydrophobicContact CG1-CZ3 3.88Å
230	T	89.6	Confident	80	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	166.9	-177.3	-163.2	0	0	0	0	112.4	Y183 L228 V247 V261 L262 I263 Y264	Y183-T230 VanDerWaalsContact O-CA 3.28Å; Y183-T230 WeakPolarHBondContact O-CA 3.28Å; Y183-T230 WeakPolarHBondContact O-CB 3.15Å; Y183-T230 PolarHBondContact O-OG1 2.66Å; L228-T230 HydrophobicContact CD2-CG2 4.12Å; T230-V247 HydrophobicContact CG2-CG2 4.4Å; T230-V261 HydrophobicContact CG2-CG1 4Å; T230-L262 PolarHBondContact N-O 3.13Å; T230-I263 HydrophobicContact CG2-CG1 4.12Å; T230-I263 WeakPolarHBondContact O-CA 3.43Å; T230-Y264 PolarHBondContact O-N 3.06Å
231	A	85.8	Confident	79.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	162.7	172.2	0	0	0	0	0	110.2	M184 P185 Y243 Y264	M184-A231 HydrophobicContact CE-CB 4.11Å; M184-A231 HydrophobicContact CG-CB 4.47Å; P185-A231 VanDerWaalsContact CD-CB 3.47Å; P185-A231 HydrophobicContact CG-CB 4.12Å; A231-Y243 WeakPolarHBondContact O-CB 3.35Å; A231-Y264 CarbonylContact C-O 3.3Å; A231-Y264 WeakPolarHBondContact CA-O 3.28Å
232	S	78.8	Confident	79.3	Confident	1 Å²	1	45 Å²	45	1%	0.007	23%	0.227	C	C	.	.	S	Bend	trans	-64.9	-55.7	174.2	42.5	0	0	0	0	112.4	Y243 Y264 R266	S232-Y243 PolarHBondContact O-N 3.18Å; S232-Y264 PolarHBondContact N-O 2.74Å; S232-Y264 PolarHBondContact OG-O 3.42Å; S232-Y264 VanDerWaalsContact OG-O 3.1Å; S232-R266 PolarHBondContact OG-N 2.82Å
233	F	76.6	Confident	79.2	Confident	22 Å²	22	43.3 Å²	43.3	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.9	-177.2	-57.4	-87.9	0	0	0	112.7	V241 E242 R266 M269 D270 V272	F233-V241 CarbonylContact C-O 3.6Å; F233-V241 WeakPolarHBondContact CA-O 3.22Å; F233-E242 HydrophobicContact CD1-CB 4.23Å; F233-E242 HydrophobicContact CD1-CG 3.95Å; F233-E242 HydrophobicContact CE1-CB 4.21Å; F233-E242 HydrophobicContact CE1-CG 3.81Å; F233-R266 WeakPolarHBondContact O-CD 3.42Å; F233-R266 PolarHBondContact O-NH1 2.8Å; F233-M269 HydrophobicContact CB-SD 3.55Å; F233-M269 VanDerWaalsContact CB-SD 3.55Å; F233-M269 HydrophobicContact CD2-CB 3.78Å; F233-M269 HydrophobicContact CD2-CG 4.33Å; F233-M269 HydrophobicContact CD2-SD 3.76Å; F233-M269 HydrophobicContact CE2-CB 4.09Å; F233-M269 HydrophobicContact CG-SD 3.95Å; F233-D270 WeakPolarHBondContact CE2-O 3.12Å; F233-V272 HydrophobicContact CE2-CG2 4.3Å; F233-V272 HydrophobicContact CZ-CG2 3.95Å
234	G	73.4	Confident	79	Confident	3 Å²	3	43.4 Å²	43.4	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	155.1	162.1	0	0	0	0	0	110.6	V241 Y243	G234-V241 PolarHBondContact N-O 3.5Å; G234-V241 PolarHBondContact O-N 2.82Å; G234-Y243 VanDerWaalsContact N-CE2 3.33Å
235	I	73.5	Confident	78.8	Confident	45 Å²	45	40 Å²	40	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.2	177.8	-60.2	164.1	0	0	0	108.5	V146 T147 M269	V146-I235 HydrophobicContact CB-CB 4.19Å; V146-I235 HydrophobicContact CB-CG2 3.8Å; V146-I235 HydrophobicContact CG1-CG2 4.4Å; V146-I235 HydrophobicContact CG2-CB 4.02Å; V146-I235 HydrophobicContact CG2-CD1 4.42Å; V146-I235 HydrophobicContact CG2-CG2 4.21Å; T147-I235 HydrophobicContact CG2-CD1 3.37Å; I235-M269 HydrophobicContact CD1-CE 3.34Å; I235-M269 HydrophobicContact CG1-CE 3.61Å
236	E	69.3	Low	78.2	Confident	35 Å²	35	42.2 Å²	42.2	16%	0.164	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	157.7	166.1	-69.7	-177.3	-179.7	0	0	109.2	G238 R239 V241 R656	E236-G238 PolarHBondContact O-N 2.76Å; E236-R239 CarbonylContact C-O 3.55Å; E236-R239 PolarHBondContact N-O 3.33Å; E236-R239 PolarHBondContact O-N 3.1Å; E236-R239 IonicContact OE2-NE 2.64Å; E236-R239 IonicContact OE2-NH2 3.95Å; E236-R239 PolarHBondContact OE2-NH2 3.34Å; E236-V241 HydrophobicContact CG-CG2 4.02Å; E236-R656 IonicContact OE1-CZ 3.53Å; E236-R656 IonicContact OE1-NH1 2.62Å; E236-R656 PolarHBondContact OE1-NH1 3.04Å; E236-R656 IonicContact OE1-NH2 3.79Å; E236-R656 PolarHBondContact OE1-NH2 2.91Å; E236-R656 IonicContact OE2-CZ 3.85Å; E236-R656 IonicContact OE2-NH1 3.63Å; E236-R656 IonicContact OE2-NH2 2.66Å; E236-R656 PolarHBondContact OE2-NH2 2.98Å
237	P	63.1	Low	77.9	Confident	60 Å²	60	39.4 Å²	39.4	39%	0.39	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	113.5	176.4	-24.4	34.6	0	0	0	110.6	R239 K377 T381	P237-R239 VanDerWaalsContact C-N 3.31Å; P237-R239 PolarHBondContact O-N 3.33Å; P237-K377 HydrophobicContact CG-CB 4.44Å; P237-K377 HydrophobicContact CG-CD 3.94Å; P237-K377 HydrophobicContact CG-CG 3.99Å; P237-T381 HydrophobicContact CB-CG2 4.4Å; P237-T381 HydrophobicContact CG-CG2 3.67Å
238	G	61.9	Low	77.6	Confident	94 Å²	94	44 Å²	44	97%	0.969	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	1	-179.9	0	0	0	0	0	116.5	E236	E236-G238 PolarHBondContact O-N 2.76Å
239	R	70.3	Confident	77.1	Confident	146 Å²	146	49.9 Å²	49.9	55%	0.551	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.7	179.3	-166.1	177.8	72.5	162.1	2.7	112.9	E236 P237	E236-R239 CarbonylContact C-O 3.55Å; E236-R239 PolarHBondContact N-O 3.33Å; E236-R239 PolarHBondContact O-N 3.1Å; E236-R239 IonicContact OE2-NE 2.64Å; E236-R239 IonicContact OE2-NH2 3.95Å; E236-R239 PolarHBondContact OE2-NH2 3.34Å; P237-R239 VanDerWaalsContact C-N 3.31Å; P237-R239 PolarHBondContact O-N 3.33Å
240	R	74.2	Confident	76.5	Confident	186 Å²	186	49.9 Å²	49.9	70%	0.702	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.1	168	-63.1	-179.2	-177.7	-175.3	-0.2	109.1
241	V	73.7	Confident	76.2	Confident	13 Å²	13	50.8 Å²	50.8	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116	174.9	-179	0	0	0	0	107.7	F233 G234 E236 Y243 L246	F233-V241 CarbonylContact C-O 3.6Å; F233-V241 WeakPolarHBondContact CA-O 3.22Å; G234-V241 PolarHBondContact N-O 3.5Å; G234-V241 PolarHBondContact O-N 2.82Å; E236-V241 HydrophobicContact CG-CG2 4.02Å; V241-Y243 HydrophobicContact CB-CD2 4.43Å; V241-Y243 HydrophobicContact CB-CE2 3.96Å; V241-Y243 HydrophobicContact CG1-CD2 4.03Å; V241-Y243 HydrophobicContact CG1-CE2 3.68Å; V241-Y243 WeakPolarHBondContact O-CD2 3.44Å; V241-L246 HydrophobicContact CG1-CD1 4.18Å
242	E	79.2	Confident	76.1	Confident	105 Å²	105	56.6 Å²	56.6	49%	0.491	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107	-180	-49.8	-172.8	152	0	0	109.5	F233 P245 L246	F233-E242 HydrophobicContact CD1-CB 4.23Å; F233-E242 HydrophobicContact CD1-CG 3.95Å; F233-E242 HydrophobicContact CE1-CB 4.21Å; F233-E242 HydrophobicContact CE1-CG 3.81Å; E242-P245 HydrophobicContact CB-CG 3.85Å; E242-L246 WeakPolarHBondContact O-CD1 3.5Å; E242-L246 VanDerWaalsContact O-CG 3.31Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å
243	Y	79.2	Confident	76	Confident	13 Å²	13	61.5 Å²	61.5	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-78	-37.2	-173.7	-81.7	-111	0	0	0	111.5	Y183 G209 A231 S232 G234 V241 L246 V247	Y183-Y243 AromaticContact CD1-CD1 3.49Å; Y183-Y243 HydrophobicContact CD1-CD1 3.49Å; Y183-Y243 VanDerWaalsContact CD1-CD1 3.49Å; Y183-Y243 HydrophobicContact CD1-CE1 4.16Å; Y183-Y243 HydrophobicContact CD1-CG 4.47Å; Y183-Y243 AromaticContact CE1-CD1 3.26Å; Y183-Y243 HydrophobicContact CE1-CD1 3.26Å; Y183-Y243 AromaticContact CE1-CE1 3.87Å; Y183-Y243 HydrophobicContact CE1-CE1 3.87Å; Y183-Y243 HydrophobicContact CE1-CG 4.09Å; Y183-Y243 HydrophobicContact CE2-CE1 4.4Å; Y183-Y243 HydrophobicContact CG-CD1 4.22Å; Y183-Y243 AromaticContact CZ-CD1 3.86Å; Y183-Y243 AromaticContact CZ-CE1 4Å; G209-Y243 VanDerWaalsContact CA-OH 3.24Å; G209-Y243 WeakPolarHBondContact CA-OH 3.32Å; G209-Y243 PolarHBondContact O-OH 3.32Å; A231-Y243 WeakPolarHBondContact O-CB 3.35Å; S232-Y243 PolarHBondContact O-N 3.18Å; G234-Y243 VanDerWaalsContact N-CE2 3.33Å; V241-Y243 HydrophobicContact CB-CD2 4.43Å; V241-Y243 HydrophobicContact CB-CE2 3.96Å; V241-Y243 HydrophobicContact CG1-CD2 4.03Å; V241-Y243 HydrophobicContact CG1-CE2 3.68Å; V241-Y243 WeakPolarHBondContact O-CD2 3.44Å; Y243-L246 WeakPolarHBondContact O-CB 3.47Å; Y243-L246 PolarHBondContact O-N 3.33Å; Y243-L246 VanDerWaalsContact O-N 3.16Å; Y243-V247 WeakPolarHBondContact O-CG2 3.26Å; Y243-V247 PolarHBondContact O-N 3.07Å
244	I	78.6	Confident	76.2	Confident	5 Å²	5	61 Å²	61	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-47.1	-176	-66.5	162.6	0	0	0	112.6	L246 V247 K248 I263 V272 L274	I244-L246 PolarHBondContact O-N 2.89Å; I244-V247 PolarHBondContact O-N 3.2Å; I244-K248 PolarHBondContact O-N 3.05Å; I244-I263 HydrophobicContact CD1-CG2 3.93Å; I244-I263 HydrophobicContact CG1-CG2 4.45Å; I244-V272 HydrophobicContact CB-CG1 4.26Å; I244-V272 HydrophobicContact CD1-CB 3.59Å; I244-V272 HydrophobicContact CD1-CG1 3.96Å; I244-V272 WeakPolarHBondContact CD1-O 3.23Å; I244-V272 HydrophobicContact CG2-CG1 3.85Å; I244-L274 HydrophobicContact CG2-CD2 3.66Å; I244-L274 HydrophobicContact CG2-CG 3.87Å
245	P	80.4	Confident	76.4	Confident	53 Å²	53	66.6 Å²	66.6	34%	0.344	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-35.3	173.8	-25.2	35.8	0	0	0	112.8	E242 K249	E242-P245 HydrophobicContact CB-CG 3.85Å; P245-K249 WeakPolarHBondContact O-CG 3.42Å; P245-K249 PolarHBondContact O-N 2.87Å; P245-K249 VanDerWaalsContact O-N 3.09Å
246	L	77.9	Confident	76.8	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-42.9	176.9	-68.5	171.6	0	0	0	111.7	Y183 S213 V241 E242 Y243 I244 A250	Y183-L246 HydrophobicContact CE1-CB 4.47Å; S213-L246 WeakPolarHBondContact CB-O 3.47Å; S213-L246 VanDerWaalsContact OG-CA 3.29Å; S213-L246 WeakPolarHBondContact OG-CA 3.42Å; S213-L246 WeakPolarHBondContact OG-CD2 3.48Å; S213-L246 PolarHBondContact OG-O 3.35Å; V241-L246 HydrophobicContact CG1-CD1 4.18Å; E242-L246 WeakPolarHBondContact O-CD1 3.5Å; E242-L246 VanDerWaalsContact O-CG 3.31Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å; Y243-L246 WeakPolarHBondContact O-CB 3.47Å; Y243-L246 PolarHBondContact O-N 3.33Å; Y243-L246 VanDerWaalsContact O-N 3.16Å; I244-L246 PolarHBondContact O-N 2.89Å; L246-A250 WeakPolarHBondContact O-CB 3.41Å; L246-A250 PolarHBondContact O-N 3.46Å
247	V	81.3	Confident	77.4	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-45.1	175.6	172.9	0	0	0	0	110.6	Y183 L216 L228 T230 Y243 I244 K249 A250 L251 L274	Y183-V247 HydrophobicContact CD1-CG2 3.6Å; Y183-V247 HydrophobicContact CE1-CG2 4.03Å; L216-V247 HydrophobicContact CD2-CG2 4.02Å; L228-V247 HydrophobicContact CD1-CG1 4.38Å; L228-V247 HydrophobicContact CD2-CG1 4.05Å; L228-V247 HydrophobicContact CD2-CG2 4.4Å; T230-V247 HydrophobicContact CG2-CG2 4.4Å; Y243-V247 WeakPolarHBondContact O-CG2 3.26Å; Y243-V247 PolarHBondContact O-N 3.07Å; I244-V247 PolarHBondContact O-N 3.2Å; V247-K249 PolarHBondContact O-N 3.09Å; V247-A250 WeakPolarHBondContact O-CB 3.26Å; V247-A250 PolarHBondContact O-N 2.73Å; V247-A250 VanDerWaalsContact O-N 3.1Å; V247-L251 HydrophobicContact CG1-CD1 3.92Å; V247-L251 HydrophobicContact CG1-CG 4.22Å; V247-L251 WeakPolarHBondContact O-CG 3.49Å; V247-L251 PolarHBondContact O-N 3.21Å; V247-L274 HydrophobicContact CG1-CD1 4.4Å
248	K	82.1	Confident	78.3	Confident	97 Å²	97	70.8 Å²	70.8	42%	0.422	35%	0.354	S	S	.	.	H	α-helix	trans	-56.9	-50.6	178.2	-173.4	175.1	178.5	173.1	0	111.6	I244 A250 L251 E252 L274	I244-K248 PolarHBondContact O-N 3.05Å; K248-A250 VanDerWaalsContact C-N 3.29Å; K248-A250 PolarHBondContact O-N 2.96Å; K248-L251 PolarHBondContact O-N 3.1Å; K248-E252 WeakPolarHBondContact CE-OE1 3.46Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 2.97Å; K248-L274 HydrophobicContact CB-CD2 3.95Å; K248-L274 HydrophobicContact CD-CD2 4.43Å; K248-L274 HydrophobicContact CG-CD2 4.32Å
249	K	79.9	Confident	79.2	Confident	125 Å²	125	69.6 Å²	69.6	54%	0.543	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-38.4	175.8	-73.2	179	-179.9	-179.7	0	112.2	P245 V247 E252 M253	P245-K249 WeakPolarHBondContact O-CG 3.42Å; P245-K249 PolarHBondContact O-N 2.87Å; P245-K249 VanDerWaalsContact O-N 3.09Å; V247-K249 PolarHBondContact O-N 3.09Å; K249-E252 PolarHBondContact O-N 3.14Å; K249-M253 VanDerWaalsContact O-CG 3.23Å; K249-M253 WeakPolarHBondContact O-CG 3.47Å; K249-M253 PolarHBondContact O-N 2.86Å; K249-M253 VanDerWaalsContact O-N 3.1Å
250	A	78.6	Confident	79.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-38.9	177.6	0	0	0	0	0	112.2	S213 L216 S217 L246 V247 K248 M253 S254	S213-A250 VanDerWaalsContact O-CB 3.28Å; S213-A250 WeakPolarHBondContact O-CB 3.43Å; L216-A250 HydrophobicContact CB-CB 3.89Å; L216-A250 HydrophobicContact CD2-CB 3.62Å; L216-A250 HydrophobicContact CG-CB 3.69Å; S217-A250 WeakPolarHBondContact CB-O 3.21Å; L246-A250 WeakPolarHBondContact O-CB 3.41Å; L246-A250 PolarHBondContact O-N 3.46Å; V247-A250 WeakPolarHBondContact O-CB 3.26Å; V247-A250 PolarHBondContact O-N 2.73Å; V247-A250 VanDerWaalsContact O-N 3.1Å; K248-A250 VanDerWaalsContact C-N 3.29Å; K248-A250 PolarHBondContact O-N 2.96Å; A250-M253 PolarHBondContact O-N 2.86Å; A250-S254 VanDerWaalsContact O-CB 3.22Å; A250-S254 WeakPolarHBondContact O-CB 3.47Å; A250-S254 PolarHBondContact O-N 2.84Å
251	L	82.4	Confident	80.4	Confident	19 Å²	19	56.7 Å²	56.7	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-28.3	176.7	-67.8	177	0	0	0	113.1	I220 V247 K248 P258 V261	I220-L251 HydrophobicContact CD1-CD2 4.27Å; V247-L251 HydrophobicContact CG1-CD1 3.92Å; V247-L251 HydrophobicContact CG1-CG 4.22Å; V247-L251 WeakPolarHBondContact O-CG 3.49Å; V247-L251 PolarHBondContact O-N 3.21Å; K248-L251 PolarHBondContact O-N 3.1Å; L251-P258 VanDerWaalsContact CD2-CD 3.42Å; L251-P258 HydrophobicContact CD2-CG 3.87Å; L251-V261 HydrophobicContact CD1-CG2 4.34Å
252	E	83.8	Confident	81	Confident	121 Å²	121	56.1 Å²	56.1	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-71.6	-35.3	171.5	-72.7	168.5	-173.9	0	0	112	K248 K249	K248-E252 WeakPolarHBondContact CE-OE1 3.46Å; K248-E252 WeakPolarHBondContact O-CG 3.24Å; K248-E252 PolarHBondContact O-N 2.97Å; K249-E252 PolarHBondContact O-N 3.14Å
253	M	77.4	Confident	81.4	Confident	105 Å²	105	51.4 Å²	51.4	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-83.2	-19.1	179.9	-67.8	175.8	70.1	0	0	114.1	K214 K249 A250	K214-M253 HydrophobicContact CB-CE 4Å; K214-M253 HydrophobicContact CG-CE 4.02Å; K249-M253 VanDerWaalsContact O-CG 3.23Å; K249-M253 WeakPolarHBondContact O-CG 3.47Å; K249-M253 PolarHBondContact O-N 2.86Å; K249-M253 VanDerWaalsContact O-N 3.1Å; A250-M253 PolarHBondContact O-N 2.86Å
254	S	79.1	Confident	81.6	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.084	26%	0.261	C	S	.	.			trans	-87.3	142.6	-175.4	179.3	0	0	0	0	111	I220 D221 A250 H256	I220-S254 WeakPolarHBondContact CG2-OG 3.18Å; D221-S254 WeakPolarHBondContact OD1-CA 3.46Å; D221-S254 WeakPolarHBondContact OD1-CB 3.44Å; D221-S254 PolarHBondContact OD1-OG 2.86Å; A250-S254 VanDerWaalsContact O-CB 3.22Å; A250-S254 WeakPolarHBondContact O-CB 3.47Å; A250-S254 PolarHBondContact O-N 2.84Å; S254-H256 VanDerWaalsContact C-N 3.32Å; S254-H256 PolarHBondContact OG-N 2.84Å; S254-H256 PolarHBondContact OG-O 2.65Å
255	S	79.4	Confident	81.7	Confident	119 Å²	119	52.5 Å²	52.5	83%	0.832	26%	0.264	S	S	*	.	S	Bend	trans	-76.1	-24	172.9	-56.9	0	0	0	0	112.1	D221	D221-S255 PolarHBondContact OD1-N 3.23Å
256	H	81.4	Confident	81.4	Confident	56 Å²	56	50.5 Å²	50.5	26%	0.259	25%	0.25	S	C	.	.			trans	-105.7	129.8	-179.6	-178.1	78.3	0	0	0	111.8	D221 P225 S254	D221-H256 PolarHBondContact OD1-N 3.21Å; P225-H256 PolarHBondContact O-NE2 2.63Å; S254-H256 VanDerWaalsContact C-N 3.32Å; S254-H256 PolarHBondContact OG-N 2.84Å; S254-H256 PolarHBondContact OG-O 2.65Å
257	R	80.7	Confident	80.8	Confident	168 Å²	168	52.6 Å²	52.6	63%	0.634	27%	0.266	S	S	*	.			trans	-108.6	127.4	175.5	-70.4	-173.4	174.7	-171	-0.7	111
258	P	82.8	Confident	79.7	Confident	4 Å²	4	60.9 Å²	60.9	3%	0.026	31%	0.31	C	S	.	.			trans	-66.1	152.8	172.4	30.1	-33	0	0	0	110	L228 L251 V261	L228-P258 HydrophobicContact CB-CB 4.48Å; L228-P258 HydrophobicContact CB-CG 4.26Å; L251-P258 VanDerWaalsContact CD2-CD 3.42Å; L251-P258 HydrophobicContact CD2-CG 3.87Å; P258-V261 HydrophobicContact CG-CG2 4.26Å
259	S	80.9	Confident	78.7	Confident	70 Å²	70	58.4 Å²	58.4	49%	0.49	30%	0.301	S	S	.	.	S	Bend	trans	-67.7	-37	-178.6	-54.2	0	0	0	0	112.5	K226	K226-S259 WeakPolarHBondContact O-CB 3.28Å; K226-S259 PolarHBondContact O-N 2.99Å
260	K	84.6	Confident	77.7	Confident	61 Å²	61	58.2 Å²	58.2	27%	0.265	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.5	178.9	-67	-65.9	-179.5	176.2	0	111.3	M227 L228 E277 L280	M227-K260 WeakPolarHBondContact CA-O 3.35Å; M227-K260 HydrophobicContact CG-CB 4.46Å; M227-K260 WeakPolarHBondContact CG-O 3.42Å; L228-K260 PolarHBondContact N-O 3.39Å; L228-K260 VanDerWaalsContact N-O 3.12Å; K260-E277 PolarHBondContact NZ-O 3.28Å; K260-L280 HydrophobicContact CB-CD1 3.97Å; K260-L280 HydrophobicContact CB-CG 4.48Å; K260-L280 HydrophobicContact CD-CD1 4.37Å; K260-L280 HydrophobicContact CD-CG 4.32Å; K260-L280 HydrophobicContact CG-CD1 4.14Å
261	V	85.8	Confident	76.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.5	173.8	-176.4	0	0	0	0	109.3	L228 T230 L251 P258 I263 L274 L278 S279 L280	L228-V261 HydrophobicContact CB-CG2 4.35Å; L228-V261 HydrophobicContact CD2-CG1 3.74Å; L228-V261 CarbonylContact O-C 3.53Å; L228-V261 VanDerWaalsContact O-CA 3.23Å; L228-V261 WeakPolarHBondContact O-CA 3.43Å; T230-V261 HydrophobicContact CG2-CG1 4Å; L251-V261 HydrophobicContact CD1-CG2 4.34Å; P258-V261 HydrophobicContact CG-CG2 4.26Å; V261-I263 HydrophobicContact CG1-CG1 4.06Å; V261-L274 HydrophobicContact CB-CD1 4.28Å; V261-L274 HydrophobicContact CG1-CD1 4Å; V261-L274 HydrophobicContact CG2-CD1 4.4Å; V261-L278 PolarHBondContact N-O 2.94Å; V261-S279 CarbonylContact O-C 3.6Å; V261-S279 WeakPolarHBondContact O-CA 3.16Å; V261-L280 PolarHBondContact O-N 3.4Å
262	L	86.1	Confident	75.8	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.7	174.8	-174.5	67.4	0	0	0	109.8	L165 M227 L228 V229 T230 L280 W282	L165-L262 HydrophobicContact CD1-CD2 3.76Å; M227-L262 HydrophobicContact CE-CB 3.58Å; M227-L262 HydrophobicContact CE-CD2 4.34Å; M227-L262 HydrophobicContact CE-CG 4.44Å; L228-L262 PolarHBondContact O-N 3.34Å; V229-L262 WeakPolarHBondContact CA-O 3.31Å; V229-L262 HydrophobicContact CG1-CB 4.3Å; V229-L262 HydrophobicContact CG1-CD2 4.26Å; V229-L262 HydrophobicContact CG2-CB 4.21Å; V229-L262 HydrophobicContact CG2-CD2 4.44Å; T230-L262 PolarHBondContact N-O 3.13Å; L262-L280 HydrophobicContact CD1-CB 3.71Å; L262-W282 HydrophobicContact CD2-CD2 4.41Å; L262-W282 HydrophobicContact CD2-CE3 3.47Å; L262-W282 VanDerWaalsContact CD2-CE3 3.47Å; L262-W282 HydrophobicContact CD2-CZ3 3.68Å; L262-W282 HydrophobicContact CG-CE3 3.82Å; L262-W282 HydrophobicContact CG-CZ3 4.44Å
263	I	86.2	Confident	74.6	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.031	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120	-173.5	-55.9	176.9	0	0	0	109.4	T230 I244 V261 L274 L280 W282	T230-I263 HydrophobicContact CG2-CG1 4.12Å; T230-I263 WeakPolarHBondContact O-CA 3.43Å; I244-I263 HydrophobicContact CD1-CG2 3.93Å; I244-I263 HydrophobicContact CG1-CG2 4.45Å; V261-I263 HydrophobicContact CG1-CG1 4.06Å; I263-L274 HydrophobicContact CD1-CB 4.28Å; I263-L274 HydrophobicContact CD1-CD1 4.11Å; I263-L274 HydrophobicContact CD1-CG 4.06Å; I263-L280 PolarHBondContact N-O 2.95Å; I263-W282 WeakPolarHBondContact O-CB 3.16Å; I263-W282 PolarHBondContact O-N 2.98Å
264	Y	85	Confident	73.9	Confident	28 Å²	28	61.7 Å²	61.7	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	109	169.5	178.7	-114.4	0	0	0	110.8	M184 Q189 T230 A231 S232 R266 W282	M184-Y264 HydrophobicContact CE-CD1 4.04Å; M184-Y264 HydrophobicContact CE-CG 4.12Å; Q189-Y264 HydrophobicContact CB-CD1 4.49Å; Q189-Y264 HydrophobicContact CB-CG 4.49Å; Q189-Y264 VanDerWaalsContact CD-CZ 3.43Å; Q189-Y264 HydrophobicContact CG-CD1 4.23Å; Q189-Y264 HydrophobicContact CG-CD2 3.93Å; Q189-Y264 HydrophobicContact CG-CE1 4.11Å; Q189-Y264 HydrophobicContact CG-CE2 3.83Å; Q189-Y264 HydrophobicContact CG-CG 4.14Å; Q189-Y264 VanDerWaalsContact NE2-CZ 3.29Å; Q189-Y264 PolarHBondContact NE2-OH 3.19Å; T230-Y264 PolarHBondContact O-N 3.06Å; A231-Y264 CarbonylContact C-O 3.3Å; A231-Y264 WeakPolarHBondContact CA-O 3.28Å; S232-Y264 PolarHBondContact N-O 2.74Å; S232-Y264 PolarHBondContact OG-O 3.42Å; S232-Y264 VanDerWaalsContact OG-O 3.1Å; Y264-R266 HydrophobicContact CD1-CG 4.19Å; Y264-R266 HydrophobicContact CE1-CG 3.97Å; Y264-R266 PolarHBondContact O-N 3.32Å; Y264-W282 HydrophobicContact CD2-CB 4.04Å; Y264-W282 AromaticContact CD2-CD1 3.76Å; Y264-W282 HydrophobicContact CD2-CD2 4.14Å; Y264-W282 AromaticContact CD2-CG 3.71Å; Y264-W282 HydrophobicContact CD2-CG 3.71Å; Y264-W282 HydrophobicContact CG-CG 4.48Å
265	S	80.9	Confident	73.3	Confident	12 Å²	12	65.7 Å²	65.7	8%	0.084	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-76.3	116.6	173.1	-64.4	0	0	0	0	109.3
266	R	73.7	Confident	72.5	Confident	12 Å²	12	65.5 Å²	65.5	5%	0.045	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-73.6	140.3	179.4	-71.6	-174.4	71.9	156.9	9.8	109.7	T147 S232 F233 Y264 M269 E375	T147-R266 VanDerWaalsContact CG2-NH2 3.34Å; S232-R266 PolarHBondContact OG-N 2.82Å; F233-R266 WeakPolarHBondContact O-CD 3.42Å; F233-R266 PolarHBondContact O-NH1 2.8Å; Y264-R266 HydrophobicContact CD1-CG 4.19Å; Y264-R266 HydrophobicContact CE1-CG 3.97Å; Y264-R266 PolarHBondContact O-N 3.32Å; R266-M269 HydrophobicContact CB-CG 4.42Å; R266-M269 HydrophobicContact CB-SD 3.92Å; R266-M269 PolarHBondContact O-N 3.05Å; R266-E375 IonicContact CZ-OE1 3.69Å; R266-E375 VanDerWaalsContact CZ-OE1 3.26Å; R266-E375 IonicContact CZ-OE2 2.64Å; R266-E375 IonicContact NH1-OE1 3.66Å; R266-E375 PolarHBondContact NH1-OE1 2.76Å; R266-E375 IonicContact NH1-OE2 3.76Å; R266-E375 VanDerWaalsContact NH2-CD 3.29Å; R266-E375 IonicContact NH2-OE1 3.13Å; R266-E375 PolarHBondContact NH2-OE1 2.84Å; R266-E375 IonicContact NH2-OE2 3.36Å; R266-E375 PolarHBondContact NH2-OE2 2.98Å
267	P	64.4	Low	71.8	Confident	89 Å²	89	70.6 Å²	70.6	58%	0.578	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	141.7	175.5	22.8	-31	0	0	0	110.6	M269	P267-M269 VanDerWaalsContact C-N 3.34Å
268	N	58	Low	71.4	Confident	173 Å²	173	64.8 Å²	64.8	93%	0.925	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	21.6	-177.2	-51.6	-33.1	0	0	0	116
269	M	61.4	Low	71.2	Confident	45 Å²	45	65.8 Å²	65.8	22%	0.222	36%	0.361	C	S	.	.	S	Bend	trans	-129.9	158.2	175.4	-62.1	-175.7	169.8	0	0	111.4	F233 I235 R266 P267	F233-M269 HydrophobicContact CB-SD 3.55Å; F233-M269 VanDerWaalsContact CB-SD 3.55Å; F233-M269 HydrophobicContact CD2-CB 3.78Å; F233-M269 HydrophobicContact CD2-CG 4.33Å; F233-M269 HydrophobicContact CD2-SD 3.76Å; F233-M269 HydrophobicContact CE2-CB 4.09Å; F233-M269 HydrophobicContact CG-SD 3.95Å; I235-M269 HydrophobicContact CD1-CE 3.34Å; I235-M269 HydrophobicContact CG1-CE 3.61Å; R266-M269 HydrophobicContact CB-CG 4.42Å; R266-M269 HydrophobicContact CB-SD 3.92Å; R266-M269 PolarHBondContact O-N 3.05Å; P267-M269 VanDerWaalsContact C-N 3.34Å
270	D	59.3	Low	71.1	Confident	121 Å²	121	63.4 Å²	63.4	65%	0.647	34%	0.343	S	S	*	.			trans	-61.8	137.5	-178.2	-63.6	-44.2	0	0	0	111.3	F233 V272	F233-D270 WeakPolarHBondContact CE2-O 3.12Å; D270-V272 PolarHBondContact O-N 3.41Å
271	K	60.8	Low	71.1	Confident	151 Å²	151	62 Å²	62	66%	0.657	34%	0.338	S	S	*	.			trans	-74.7	112.4	169.7	-69	-168.7	178.2	-163.7	0	107.9
272	V	59.6	Low	70.9	Confident	55 Å²	55	62.3 Å²	62.3	33%	0.333	34%	0.339	S	S	.	.			trans	-109.3	119.3	172.4	-177.2	0	0	0	0	107	F233 I244 D270	F233-V272 HydrophobicContact CE2-CG2 4.3Å; F233-V272 HydrophobicContact CZ-CG2 3.95Å; I244-V272 HydrophobicContact CB-CG1 4.26Å; I244-V272 HydrophobicContact CD1-CB 3.59Å; I244-V272 HydrophobicContact CD1-CG1 3.96Å; I244-V272 WeakPolarHBondContact CD1-O 3.23Å; I244-V272 HydrophobicContact CG2-CG1 3.85Å; D270-V272 PolarHBondContact O-N 3.41Å
273	S	58.8	Low	70.8	Confident	95 Å²	95	66.3 Å²	66.3	66%	0.664	36%	0.361	S	S	*	.			trans	-98.2	145.1	174.5	57.2	0	0	0	0	110
274	L	62.4	Low	70.5	Confident	18 Å²	18	72.3 Å²	72.3	9%	0.094	39%	0.389	C	S	.	.			trans	-79	-173.4	159.4	-71.1	170.9	0	0	0	109.2	I244 V247 K248 V261 I263	I244-L274 HydrophobicContact CG2-CD2 3.66Å; I244-L274 HydrophobicContact CG2-CG 3.87Å; V247-L274 HydrophobicContact CG1-CD1 4.4Å; K248-L274 HydrophobicContact CB-CD2 3.95Å; K248-L274 HydrophobicContact CD-CD2 4.43Å; K248-L274 HydrophobicContact CG-CD2 4.32Å; V261-L274 HydrophobicContact CB-CD1 4.28Å; V261-L274 HydrophobicContact CG1-CD1 4Å; V261-L274 HydrophobicContact CG2-CD1 4.4Å; I263-L274 HydrophobicContact CD1-CB 4.28Å; I263-L274 HydrophobicContact CD1-CD1 4.11Å; I263-L274 HydrophobicContact CD1-CG 4.06Å
275	D	66.9	Low	70.4	Confident	95 Å²	95	72.6 Å²	72.6	51%	0.508	39%	0.391	S	S	.	.			trans	-51.6	134.7	175.9	-63.7	-43.6	0	0	0	110.7	E277 L278 S279	D275-E277 PolarHBondContact O-N 2.93Å; D275-L278 PolarHBondContact O-N 3.45Å; D275-S279 PolarHBondContact O-N 2.84Å; D275-S279 PolarHBondContact O-OG 2.99Å
276	P	62.9	Low	70.4	Confident	115 Å²	115	72.8 Å²	72.8	75%	0.747	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.6	-171.4	-25.1	32.2	0	0	0	114.3
277	E	66.2	Low	70.7	Confident	164 Å²	164	76.1 Å²	76.1	77%	0.766	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.9	179.2	-64.4	-171.5	164.8	0	0	113.2	K260 D275	K260-E277 PolarHBondContact NZ-O 3.28Å; D275-E277 PolarHBondContact O-N 2.93Å
278	L	71.9	Confident	71.4	Confident	46 Å²	46	75.2 Å²	75.2	24%	0.241	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-27.4	-177.5	-75.5	160.5	0	0	0	112.6	V261 D275	V261-L278 PolarHBondContact N-O 2.94Å; D275-L278 PolarHBondContact O-N 3.45Å
279	S	78.8	Confident	72.5	Confident	24 Å²	24	67.7 Å²	67.7	17%	0.168	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.4	-176	63.9	0	0	0	0	113.6	V261 D275	V261-S279 CarbonylContact O-C 3.6Å; V261-S279 WeakPolarHBondContact O-CA 3.16Å; D275-S279 PolarHBondContact O-N 2.84Å; D275-S279 PolarHBondContact O-OG 2.99Å
280	L	79.9	Confident	73.5	Confident	20 Å²	20	75.7 Å²	75.7	11%	0.105	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.4	164.6	-62	173.5	0	0	0	109	N172 M227 K260 V261 L262 I263 E285	N172-L280 WeakPolarHBondContact OD1-CD1 3.39Å; M227-L280 HydrophobicContact CE-CD1 4.06Å; K260-L280 HydrophobicContact CB-CD1 3.97Å; K260-L280 HydrophobicContact CB-CG 4.48Å; K260-L280 HydrophobicContact CD-CD1 4.37Å; K260-L280 HydrophobicContact CD-CG 4.32Å; K260-L280 HydrophobicContact CG-CD1 4.14Å; V261-L280 PolarHBondContact O-N 3.4Å; L262-L280 HydrophobicContact CD1-CB 3.71Å; I263-L280 PolarHBondContact N-O 2.95Å; L280-E285 HydrophobicContact CB-CG 4.28Å
281	D	83.9	Confident	74.7	Confident	32 Å²	32	74.1 Å²	74.1	17%	0.171	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.7	173.8	-178.2	-90.6	0	0	0	110.1	D283 Q284 E285	D281-D283 PolarHBondContact O-N 3.41Å; D281-D283 PolarHBondContact OD1-N 3.37Å; D281-D283 VanDerWaalsContact OD1-N 3.07Å; D281-Q284 HydrophobicContact CB-CB 4.23Å; D281-Q284 HydrophobicContact CB-CG 4.21Å; D281-Q284 WeakPolarHBondContact OD1-CG 3.45Å; D281-Q284 PolarHBondContact OD1-N 2.98Å; D281-E285 PolarHBondContact O-N 2.95Å; D281-E285 VanDerWaalsContact O-N 3.15Å
282	W	82.9	Confident	76	Confident	6 Å²	6	69.6 Å²	69.6	2%	0.023	39%	0.387	C	S	.	.	H	α-helix	trans	-58.8	-47.6	-177.7	-178	-77.9	0	0	0	112.9	L165 Q189 T193 V229 L262 I263 Y264 M286	L165-W282 HydrophobicContact CD1-CE3 4.37Å; L165-W282 HydrophobicContact CD1-CH2 3.66Å; L165-W282 HydrophobicContact CD1-CZ2 4.07Å; L165-W282 HydrophobicContact CD1-CZ3 3.81Å; L165-W282 HydrophobicContact CD2-CH2 3.32Å; L165-W282 HydrophobicContact CD2-CZ2 3.93Å; L165-W282 HydrophobicContact CD2-CZ3 4.09Å; L165-W282 HydrophobicContact CG-CH2 4.13Å; Q189-W282 HydrophobicContact CB-CH2 3.97Å; Q189-W282 HydrophobicContact CB-CZ2 3.95Å; Q189-W282 HydrophobicContact CG-CH2 4.37Å; Q189-W282 HydrophobicContact CG-CZ2 3.83Å; T193-W282 WeakPolarHBondContact OG1-CH2 3.04Å; V229-W282 HydrophobicContact CG1-CE3 4.42Å; V229-W282 HydrophobicContact CG1-CZ3 3.88Å; L262-W282 HydrophobicContact CD2-CD2 4.41Å; L262-W282 HydrophobicContact CD2-CE3 3.47Å; L262-W282 VanDerWaalsContact CD2-CE3 3.47Å; L262-W282 HydrophobicContact CD2-CZ3 3.68Å; L262-W282 HydrophobicContact CG-CE3 3.82Å; L262-W282 HydrophobicContact CG-CZ3 4.44Å; I263-W282 WeakPolarHBondContact O-CB 3.16Å; I263-W282 PolarHBondContact O-N 2.98Å; Y264-W282 HydrophobicContact CD2-CB 4.04Å; Y264-W282 AromaticContact CD2-CD1 3.76Å; Y264-W282 HydrophobicContact CD2-CD2 4.14Å; Y264-W282 AromaticContact CD2-CG 3.71Å; Y264-W282 HydrophobicContact CD2-CG 3.71Å; Y264-W282 HydrophobicContact CG-CG 4.48Å; W282-M286 HydrophobicContact CG-CG 4.4Å; W282-M286 VanDerWaalsContact O-CB 3.27Å; W282-M286 WeakPolarHBondContact O-CB 3.32Å; W282-M286 WeakPolarHBondContact O-CG 2.94Å; W282-M286 PolarHBondContact O-N 3.16Å
283	D	82.3	Confident	77.3	Confident	85 Å²	85	73.2 Å²	73.2	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-71.7	-39.4	-171.9	-64.6	-34.2	0	0	0	111.2	D281 A287	D281-D283 PolarHBondContact O-N 3.41Å; D281-D283 PolarHBondContact OD1-N 3.37Å; D281-D283 VanDerWaalsContact OD1-N 3.07Å; D283-A287 WeakPolarHBondContact O-CB 3.24Å; D283-A287 PolarHBondContact O-N 3.28Å
284	Q	81.6	Confident	78.7	Confident	133 Å²	133	69.6 Å²	69.6	62%	0.621	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-46.9	176.5	-68.2	-179.4	1.2	0	0	112.1	D281 A287 A288	D281-Q284 HydrophobicContact CB-CB 4.23Å; D281-Q284 HydrophobicContact CB-CG 4.21Å; D281-Q284 WeakPolarHBondContact OD1-CG 3.45Å; D281-Q284 PolarHBondContact OD1-N 2.98Å; Q284-A287 PolarHBondContact O-N 2.84Å; Q284-A288 PolarHBondContact O-N 3.18Å; Q284-A288 VanDerWaalsContact O-N 3.14Å
285	E	81.2	Confident	79.9	Confident	34 Å²	34	70.6 Å²	70.6	16%	0.159	39%	0.386	C	S	.	.	H	α-helix	trans	-69.2	-36.7	179.3	-71.5	-64	144.1	0	0	111.6	I168 K171 L280 D281 A287 A288 S289	I168-E285 VanDerWaalsContact CD1-C 3.47Å; I168-E285 HydrophobicContact CD1-CB 3.71Å; I168-E285 HydrophobicContact CG1-CB 4.05Å; I168-E285 HydrophobicContact CG2-CB 3.92Å; I168-E285 HydrophobicContact CG2-CG 4.31Å; K171-E285 IonicContact NZ-OE1 2.78Å; K171-E285 IonicContact NZ-OE2 3.85Å; K171-E285 PolarHBondContact NZ-OE2 3.17Å; L280-E285 HydrophobicContact CB-CG 4.28Å; D281-E285 PolarHBondContact O-N 2.95Å; D281-E285 VanDerWaalsContact O-N 3.15Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-A287 PolarHBondContact O-N 3.29Å; E285-A288 PolarHBondContact O-N 3.09Å; E285-S289 VanDerWaalsContact O-CB 3.23Å; E285-S289 WeakPolarHBondContact O-CB 3.43Å; E285-S289 PolarHBondContact O-N 3.2Å
286	M	81.5	Confident	80.9	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-61.9	-39.5	174.6	-75.3	-67	-70.3	0	0	112.4	Q161 R164 L165 I168 W282 S289	Q161-M286 HydrophobicContact CB-CE 4.32Å; R164-M286 HydrophobicContact CB-CE 3.9Å; R164-M286 HydrophobicContact CB-SD 4.11Å; L165-M286 HydrophobicContact CB-SD 4.03Å; L165-M286 HydrophobicContact CD1-SD 4.29Å; I168-M286 HydrophobicContact CD1-CB 4.46Å; I168-M286 HydrophobicContact CD1-CG 3.86Å; I168-M286 HydrophobicContact CD1-SD 3.53Å; I168-M286 VanDerWaalsContact CD1-SD 3.53Å; W282-M286 HydrophobicContact CG-CG 4.4Å; W282-M286 VanDerWaalsContact O-CB 3.27Å; W282-M286 WeakPolarHBondContact O-CB 3.32Å; W282-M286 WeakPolarHBondContact O-CG 2.94Å; W282-M286 PolarHBondContact O-N 3.16Å; M286-S289 PolarHBondContact O-OG 2.81Å
287	A	79.5	Confident	82.1	Confident	81 Å²	81	63.8 Å²	63.8	67%	0.669	35%	0.346	S	S	*	.	H	α-helix	trans	-67.3	-35.1	175.8	0	0	0	0	0	113	D283 Q284 E285	D283-A287 WeakPolarHBondContact O-CB 3.24Å; D283-A287 PolarHBondContact O-N 3.28Å; Q284-A287 PolarHBondContact O-N 2.84Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-A287 PolarHBondContact O-N 3.29Å
288	A	78.9	Confident	83.1	Confident	70 Å²	70	58 Å²	58	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-87.2	-10	-178.8	0	0	0	0	0	114.3	Q284 E285	Q284-A288 PolarHBondContact O-N 3.18Å; Q284-A288 VanDerWaalsContact O-N 3.14Å; E285-A288 PolarHBondContact O-N 3.09Å
289	S	80.8	Confident	83.6	Confident	16 Å²	16	56 Å²	56	11%	0.112	31%	0.314	C	S	.	.			trans	-78.5	154.3	-171.7	67.5	0	0	0	0	114.2	R164 E285 M286	R164-S289 VanDerWaalsContact CB-OG 3.24Å; R164-S289 WeakPolarHBondContact CB-OG 3.37Å; R164-S289 WeakPolarHBondContact CG-OG 3.4Å; E285-S289 VanDerWaalsContact O-CB 3.23Å; E285-S289 WeakPolarHBondContact O-CB 3.43Å; E285-S289 PolarHBondContact O-N 3.2Å; M286-S289 PolarHBondContact O-OG 2.81Å
290	R	82.6	Confident	83.7	Confident	212 Å²	212	59 Å²	59	80%	0.8	33%	0.327	S	S	*	.			trans	-108.7	146.8	167.7	-66	-175.7	-177.6	-169.9	0.5	109.3
291	P	85.5	Confident	84	Confident	88 Å²	88	58.9 Å²	58.9	57%	0.571	33%	0.326	S	S	*	.			trans	-63.4	142.4	176.4	27.7	-34.5	0	0	0	110.7
292	H	87.1	Confident	84.2	Confident	56 Å²	56	58.9 Å²	58.9	26%	0.259	33%	0.328	S	S	.	.			trans	-109.8	142.9	174.6	-167	-73.3	0	0	0	110.7	S163 A166 R199	S163-H292 PolarHBondContact O-N 2.85Å; A166-H292 HydrophobicContact CB-CB 4.04Å; R199-H292 PolarHBondContact NE-O 2.84Å; R199-H292 PolarHBondContact NH2-O 3.28Å
293	D	87.4	Confident	84.4	Confident	131 Å²	131	58.8 Å²	58.8	70%	0.701	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-76	160.4	178.4	-67.1	-30.7	0	0	0	112.7	V295	D293-V295 PolarHBondContact O-N 3.14Å
294	C	87.8	Confident	84.8	Confident	20 Å²	20	54.8 Å²	54.8	14%	0.135	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.8	125.6	175.5	-70.5	0	0	0	0	111	F96 N120 F123 R199	F96-C294 HydrophobicContact CZ-CB 4.33Å; N120-C294 HydrophobicContact CB-CB 4.16Å; F123-C294 HydrophobicContact CB-CB 4.22Å; R199-C294 HydrophobicContact CG-CB 4.47Å; R199-C294 PolarHBondContact NH1-SG 3.33Å
295	V	88.5	Confident	85.1	Confident	38 Å²	38	48.5 Å²	48.5	23%	0.23	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-81.2	130.4	176.5	-179.6	0	0	0	0	109.5	N120 R199 D293 L297	N120-V295 PolarHBondContact ND2-O 2.8Å; R199-V295 PolarHBondContact O-N 3.01Å; D293-V295 PolarHBondContact O-N 3.14Å; V295-L297 HydrophobicContact CG1-CD2 4.09Å; V295-L297 PolarHBondContact O-N 3Å
296	P	88.5	Confident	85.3	Confident	65 Å²	65	47.2 Å²	47.2	42%	0.422	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-70.7	121.9	173.7	27.5	-32.6	0	0	0	110.3	F96 K118	F96-P296 HydrophobicContact CB-CB 4.42Å; F96-P296 HydrophobicContact CD2-CB 4.1Å; F96-P296 HydrophobicContact CG-CB 4.29Å; K118-P296 HydrophobicContact CB-CB 4.36Å; K118-P296 HydrophobicContact CD-CB 4.44Å
297	L	87.1	Confident	85.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.4	-177.8	-57.6	169.8	0	0	0	110.5	K118 L119 K176 V295 H301	K118-L297 CarbonylContact C-O 3.58Å; K118-L297 WeakPolarHBondContact CA-O 3.18Å; L119-L297 PolarHBondContact N-O 2.69Å; L119-L297 WeakPolarHBondContact O-CB 3.43Å; L119-L297 PolarHBondContact O-N 3.29Å; K176-L297 HydrophobicContact CD-CD2 3.63Å; K176-L297 HydrophobicContact CG-CD2 3.89Å; V295-L297 HydrophobicContact CG1-CD2 4.09Å; V295-L297 PolarHBondContact O-N 3Å; L297-H301 HydrophobicContact CB-CB 4.12Å
298	P	87	Confident	84.5	Confident	42 Å²	42	44.7 Å²	44.7	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	153	173.8	28.6	-32.5	0	0	0	110.2	K176 N300 H301	K176-P298 VanDerWaalsContact NZ-CD 3.29Å; P298-N300 VanDerWaalsContact C-N 3.26Å; P298-N300 PolarHBondContact O-N 2.95Å; P298-H301 HydrophobicContact CG-CB 4Å; P298-H301 WeakPolarHBondContact O-CB 3.38Å; P298-H301 PolarHBondContact O-N 2.75Å
299	S	81.9	Confident	83.4	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.042	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38	-177.7	49.3	0	0	0	0	114.6	F114 G117 H301 T322 A323	F114-S299 WeakPolarHBondContact O-CB 3.22Å; F114-S299 PolarHBondContact O-OG 2.84Å; G117-S299 PolarHBondContact O-N 3.48Å; S299-H301 VanDerWaalsContact C-N 3.3Å; S299-H301 PolarHBondContact O-N 2.81Å; S299-T322 PolarHBondContact O-N 3.32Å; S299-A323 VanDerWaalsContact CB-CB 3.45Å; S299-A323 PolarHBondContact O-N 2.79Å; S299-A323 VanDerWaalsContact O-N 3.12Å
300	N	81.7	Confident	81.9	Confident	86 Å²	86	47 Å²	47	46%	0.46	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.1	179.5	69.5	-15.8	0	0	0	114.2	P298	P298-N300 VanDerWaalsContact C-N 3.26Å; P298-N300 PolarHBondContact O-N 2.95Å
301	H	86.1	Confident	80	Confident	17 Å²	17	42.7 Å²	42.7	8%	0.079	26%	0.259	C	S	.	.			trans	-64	136.5	179.5	-169.2	77.4	0	0	0	110.8	G201 L297 P298 S299 L303 T322	G201-H301 PolarHBondContact O-CE1 3.24Å; G201-H301 PolarHBondContact O-NE2 3.3Å; L297-H301 HydrophobicContact CB-CB 4.12Å; P298-H301 HydrophobicContact CG-CB 4Å; P298-H301 WeakPolarHBondContact O-CB 3.38Å; P298-H301 PolarHBondContact O-N 2.75Å; S299-H301 VanDerWaalsContact C-N 3.3Å; S299-H301 PolarHBondContact O-N 2.81Å; H301-L303 PolarHBondContact O-N 2.77Å; H301-T322 PolarHBondContact O-N 2.96Å; H301-T322 VanDerWaalsContact O-N 3.12Å; H301-T322 PolarHBondContact O-OG1 3.35Å
302	P	87.9	Confident	78.1	Confident	32 Å²	32	42.3 Å²	42.3	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	121.9	176	24.3	-32.7	0	0	0	111.5	P203 V319 R320	P203-P302 HydrophobicContact CB-CB 4.4Å; P203-P302 HydrophobicContact CG-CB 4.05Å; P203-P302 HydrophobicContact CG-CG 3.79Å; P203-P302 WeakPolarHBondContact CG-O 3.44Å; P302-V319 HydrophobicContact CB-CG1 3.57Å; P302-R320 CarbonylContact C-O 3.58Å; P302-R320 VanDerWaalsContact CA-O 3.28Å; P302-R320 WeakPolarHBondContact CA-O 3.42Å
303	L	88.1	Confident	76.2	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-45.9	177.3	-178.7	65.1	0	0	0	111.8	V121 A198 P203 H204 H301 R320 Y325 Y362	V121-L303 HydrophobicContact CB-CD1 4.12Å; V121-L303 HydrophobicContact CG1-CD1 4.41Å; V121-L303 HydrophobicContact CG1-CD2 4.36Å; V121-L303 HydrophobicContact CG2-CD1 4.2Å; V121-L303 HydrophobicContact CG2-CD2 4.29Å; A198-L303 HydrophobicContact CB-CD1 3.69Å; P203-L303 WeakPolarHBondContact CA-O 3.39Å; H204-L303 PolarHBondContact N-O 2.89Å; H301-L303 PolarHBondContact O-N 2.77Å; L303-R320 PolarHBondContact N-O 2.79Å; L303-Y325 HydrophobicContact CD2-CD1 3.66Å; L303-Y325 HydrophobicContact CD2-CE1 3.98Å; L303-Y362 HydrophobicContact CD2-CE1 4.1Å; L303-Y362 HydrophobicContact CD2-CE2 4.05Å
304	Y	89.6	Confident	74.7	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161.1	179.7	67	-95.6	0	0	0	112	H204 L306 R320 Y325 Y362	H204-Y304 VanDerWaalsContact CE1-CB 3.48Å; H204-Y304 WeakPolarHBondContact CE1-CB 3.38Å; H204-Y304 CarbonylContact O-C 3.53Å; H204-Y304 WeakPolarHBondContact O-CA 3.31Å; H204-Y304 VanDerWaalsContact O-CB 3.25Å; H204-Y304 WeakPolarHBondContact O-CB 3.4Å; Y304-L306 HydrophobicContact CD2-CB 3.97Å; Y304-L306 HydrophobicContact CE2-CB 3.86Å; Y304-R320 HydrophobicContact CD1-CB 4.04Å; Y304-R320 HydrophobicContact CD2-CB 4.47Å; Y304-R320 HydrophobicContact CE1-CB 3.63Å; Y304-R320 HydrophobicContact CE1-CG 3.74Å; Y304-R320 HydrophobicContact CE2-CB 4.12Å; Y304-R320 HydrophobicContact CG-CB 4.42Å; Y304-R320 PolarHBondContact O-N 2.83Å; Y304-R320 PolarHBondContact OH-NE 3.08Å; Y304-Y325 HydrophobicContact CE1-CD1 4.22Å; Y304-Y325 AromaticContact CE1-CE1 3.63Å; Y304-Y325 HydrophobicContact CE1-CE1 3.63Å; Y304-Y325 HydrophobicContact CE1-CE2 4.44Å; Y304-Y325 AromaticContact CE1-CZ 3.73Å; Y304-Y325 PolarHBondContact OH-OH 2.92Å; Y304-Y362 HydrophobicContact CD1-CE2 4.2Å; Y304-Y362 HydrophobicContact CE1-CE2 4.38Å
305	V	88.4	Confident	73.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.6	173.7	-176.3	0	0	0	0	108.6	L179 H204 S205 Y307 V318 V319 W527	L179-V305 HydrophobicContact CD1-CB 4.32Å; L179-V305 HydrophobicContact CD1-CG2 3.94Å; H204-V305 PolarHBondContact O-N 3.37Å; S205-V305 VanDerWaalsContact CA-O 3.31Å; S205-V305 WeakPolarHBondContact CA-O 3.34Å; S205-V305 VanDerWaalsContact CB-O 3.29Å; S205-V305 WeakPolarHBondContact CB-O 3.44Å; S205-V305 PolarHBondContact OG-O 3.4Å; V305-Y307 HydrophobicContact CG1-CE2 4.25Å; V305-V318 WeakPolarHBondContact CA-O 3.28Å; V305-V319 HydrophobicContact CG2-CG2 4.39Å; V305-W527 HydrophobicContact CG1-CB 3.94Å; V305-W527 HydrophobicContact CG1-CG 4.23Å; V305-W527 HydrophobicContact CG2-CD2 4.02Å; V305-W527 HydrophobicContact CG2-CE3 3.55Å; V305-W527 HydrophobicContact CG2-CZ3 3.94Å
306	L	84.8	Confident	73	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.3	179.6	-173.2	62.9	0	0	0	111	Y304 V318 V354 V461	Y304-L306 HydrophobicContact CD2-CB 3.97Å; Y304-L306 HydrophobicContact CE2-CB 3.86Å; L306-V318 PolarHBondContact N-O 2.8Å; L306-V318 PolarHBondContact O-N 3.05Å; L306-V354 HydrophobicContact CD2-CB 3.83Å; L306-V461 HydrophobicContact CB-CG1 4.11Å; L306-V461 HydrophobicContact CD2-CG1 4.17Å; L306-V461 HydrophobicContact CG-CG1 4.22Å
307	Y	77.4	Confident	72.5	Confident	22 Å²	22	36.5 Å²	36.5	9%	0.086	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.8	-176.4	-75.7	-75.8	0	0	0	113	S205 R219 H222 A223 V305 P315 K316 G317	S205-Y307 WeakPolarHBondContact OG-CD2 3.4Å; S205-Y307 VanDerWaalsContact OG-CE2 3.32Å; S205-Y307 WeakPolarHBondContact OG-CE2 3.33Å; R219-Y307 HydrophobicContact CB-CD2 4.23Å; R219-Y307 HydrophobicContact CB-CE2 4.21Å; R219-Y307 HydrophobicContact CG-CD1 4.33Å; R219-Y307 HydrophobicContact CG-CD2 3.9Å; R219-Y307 HydrophobicContact CG-CE2 4.3Å; R219-Y307 HydrophobicContact CG-CG 3.92Å; H222-Y307 AromaticContact ND1-CE1 3.45Å; H222-Y307 WeakPolarHBondContact ND1-CE1 3.34Å; H222-Y307 AromaticContact ND1-CZ 3.65Å; H222-Y307 PolarHBondContact ND1-OH 3.44Å; A223-Y307 WeakPolarHBondContact CA-OH 3.37Å; A223-Y307 HydrophobicContact CB-CE2 4.17Å; A223-Y307 VanDerWaalsContact CB-OH 3.28Å; A223-Y307 WeakPolarHBondContact CB-OH 3.44Å; A223-Y307 PolarHBondContact N-OH 2.94Å; V305-Y307 HydrophobicContact CG1-CE2 4.25Å; Y307-P315 HydrophobicContact CD1-CB 3.77Å; Y307-P315 HydrophobicContact CD1-CG 4.44Å; Y307-P315 HydrophobicContact CE1-CB 4.12Å; Y307-P315 HydrophobicContact CE1-CG 4.3Å; Y307-K316 CarbonylContact C-O 3.53Å; Y307-K316 WeakPolarHBondContact CA-O 3.23Å; Y307-G317 VanDerWaalsContact CD1-CA 3.49Å
308	T	66.6	Low	72.3	Confident	21 Å²	21	36.4 Å²	36.4	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.8	179.4	102.4	0	0	0	0	110.8	G310 K316 V318 V461	T308-G310 PolarHBondContact O-N 2.82Å; T308-K316 HydrophobicContact CG2-CB 4.37Å; T308-K316 WeakPolarHBondContact CG2-O 3.2Å; T308-K316 PolarHBondContact N-O 3.02Å; T308-V318 HydrophobicContact CG2-CG2 3.78Å; T308-V461 HydrophobicContact CG2-CB 3.41Å; T308-V461 VanDerWaalsContact CG2-CB 3.41Å; T308-V461 HydrophobicContact CG2-CG1 3.37Å; T308-V461 HydrophobicContact CG2-CG2 3.28Å
309	S	57.4	Low	72.2	Confident	111 Å²	111	34.8 Å²	34.8	78%	0.776	23%	0.228	S	C	*	.			trans	-69.5	99.5	172.9	55.5	0	0	0	0	109.6
310	G	49.2	Very low	72.4	Confident	23 Å²	23	34.6 Å²	34.6	24%	0.237	23%	0.226	C	C	.	.			trans	-79.1	134.2	170	0	0	0	0	0	111.1	T308 T312	T308-G310 PolarHBondContact O-N 2.82Å; G310-T312 PolarHBondContact O-N 3.06Å
311	T	41.4	Very low	72.7	Confident	122 Å²	122	30.9 Å²	30.9	75%	0.748	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.1	170.3	45.8	0	0	0	0	112.7
312	T	45.9	Very low	72.6	Confident	80 Å²	80	30.1 Å²	30.1	49%	0.491	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.5	-171.4	53.6	0	0	0	0	114.7	G310 T314	G310-T312 PolarHBondContact O-N 3.06Å; T312-T314 PolarHBondContact O-N 2.94Å; T312-T314 VanDerWaalsContact O-N 3.17Å
313	G	47.5	Very low	72.5	Confident	67 Å²	67	28.6 Å²	28.6	69%	0.691	19%	0.193	S	C	*	.	S	Bend	trans	80	-15.3	174.6	0	0	0	0	0	116.1
314	T	56.9	Low	72.3	Confident	77 Å²	77	28.4 Å²	28.4	47%	0.472	19%	0.192	S	C	.	.	S	Bend	trans	-99	134.9	169.6	42.7	0	0	0	0	111.2	T312 K316	T312-T314 PolarHBondContact O-N 2.94Å; T312-T314 VanDerWaalsContact O-N 3.17Å; T314-K316 PolarHBondContact O-N 3.12Å
315	P	66	Low	72.2	Confident	23 Å²	23	28.4 Å²	28.4	15%	0.149	19%	0.192	C	C	.	.			trans	-68.7	126.7	179.5	32.7	-39.2	0	0	0	110.1	V218 H222 Y307 G317	V218-P315 HydrophobicContact CG1-CG 3.83Å; H222-P315 HydrophobicContact CB-CG 4.16Å; Y307-P315 HydrophobicContact CD1-CB 3.77Å; Y307-P315 HydrophobicContact CD1-CG 4.44Å; Y307-P315 HydrophobicContact CE1-CB 4.12Å; Y307-P315 HydrophobicContact CE1-CG 4.3Å; P315-G317 PolarHBondContact O-N 2.99Å
316	K	72.8	Confident	72.2	Confident	20 Å²	20	28.5 Å²	28.5	9%	0.087	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	105.8	179.1	-65.2	179.3	-179	-178.6	0	108.8	Y307 T308 T314 L526 L536	Y307-K316 CarbonylContact C-O 3.53Å; Y307-K316 WeakPolarHBondContact CA-O 3.23Å; T308-K316 HydrophobicContact CG2-CB 4.37Å; T308-K316 WeakPolarHBondContact CG2-O 3.2Å; T308-K316 PolarHBondContact N-O 3.02Å; T314-K316 PolarHBondContact O-N 3.12Å; K316-L526 HydrophobicContact CB-CD2 4.15Å; K316-L536 HydrophobicContact CD-CD1 4.24Å; K316-L536 VanDerWaalsContact NZ-CD1 3.26Å
317	G	78	Confident	72.4	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	102.7	177	0	0	0	0	0	110.6	Y307 P315 L526 W527	Y307-G317 VanDerWaalsContact CD1-CA 3.49Å; P315-G317 PolarHBondContact O-N 2.99Å; G317-L526 CarbonylContact O-C 3.51Å; G317-L526 WeakPolarHBondContact O-CA 3.41Å; G317-W527 WeakPolarHBondContact O-CB 3.33Å; G317-W527 PolarHBondContact O-N 3.32Å
318	V	82.9	Confident	72.9	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.1	-178.9	-176.1	0	0	0	0	110.7	V305 L306 T308 V461 A523 L526	V305-V318 WeakPolarHBondContact CA-O 3.28Å; L306-V318 PolarHBondContact N-O 2.8Å; L306-V318 PolarHBondContact O-N 3.05Å; T308-V318 HydrophobicContact CG2-CG2 3.78Å; V318-V461 HydrophobicContact CB-CB 4.32Å; V318-V461 HydrophobicContact CB-CG1 3.44Å; V318-V461 VanDerWaalsContact CB-CG1 3.44Å; V318-V461 HydrophobicContact CG1-CG1 4.24Å; V318-V461 WeakPolarHBondContact CG1-O 3.46Å; V318-V461 HydrophobicContact CG2-CB 3.82Å; V318-V461 HydrophobicContact CG2-CG1 3.36Å; V318-A523 HydrophobicContact CG1-CB 3.29Å; V318-L526 HydrophobicContact CB-CD2 4.47Å; V318-L526 HydrophobicContact CG2-CD2 3.68Å
319	V	86.3	Confident	74	Confident	8 Å²	8	26.2 Å²	26.2	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.8	-177.7	-174.4	0	0	0	0	110.4	P302 V305 L524 S525 W527	P302-V319 HydrophobicContact CB-CG1 3.57Å; V305-V319 HydrophobicContact CG2-CG2 4.39Å; V319-L524 PolarHBondContact O-N 2.75Å; V319-S525 WeakPolarHBondContact CB-O 3.38Å; V319-S525 PolarHBondContact N-O 3.03Å; V319-W527 HydrophobicContact CG2-CB 4.02Å; V319-W527 HydrophobicContact CG2-CE3 3.87Å
320	R	86.6	Confident	75.5	Confident	1 Å²	1	22.4 Å²	22.4	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.7	177.7	-165.8	69.3	64	-158.8	-14.1	112.1	P302 L303 Y304 Y325 V461 E462 G521	P302-R320 CarbonylContact C-O 3.58Å; P302-R320 VanDerWaalsContact CA-O 3.28Å; P302-R320 WeakPolarHBondContact CA-O 3.42Å; L303-R320 PolarHBondContact N-O 2.79Å; Y304-R320 HydrophobicContact CD1-CB 4.04Å; Y304-R320 HydrophobicContact CD2-CB 4.47Å; Y304-R320 HydrophobicContact CE1-CB 3.63Å; Y304-R320 HydrophobicContact CE1-CG 3.74Å; Y304-R320 HydrophobicContact CE2-CB 4.12Å; Y304-R320 HydrophobicContact CG-CB 4.42Å; Y304-R320 PolarHBondContact O-N 2.83Å; Y304-R320 PolarHBondContact OH-NE 3.08Å; R320-Y325 HydrophobicContact CG-CD1 4.08Å; R320-Y325 HydrophobicContact CG-CD2 3.66Å; R320-Y325 HydrophobicContact CG-CE2 4.2Å; R320-Y325 HydrophobicContact CG-CG 3.58Å; R320-V461 PolarHBondContact NH2-O 3.25Å; R320-E462 PolarHBondContact NH1-O 3.19Å; R320-G521 WeakPolarHBondContact CD-O 3.44Å; R320-G521 PolarHBondContact NH1-O 3.22Å
321	D	86.4	Confident	77.4	Confident	9 Å²	9	21.9 Å²	21.9	5%	0.048	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	163.7	171.3	69.2	-57.2	0	0	0	112.6	G324 Y325 G521 L524	D321-G324 WeakPolarHBondContact OD2-CA 3.32Å; D321-G324 PolarHBondContact OD2-N 3.43Å; D321-Y325 WeakPolarHBondContact O-CB 3.45Å; D321-Y325 PolarHBondContact OD2-N 3.46Å; D321-G521 WeakPolarHBondContact OD1-CA 3.42Å; D321-L524 HydrophobicContact CB-CD1 3.63Å; D321-L524 HydrophobicContact CB-CD2 4.09Å; D321-L524 HydrophobicContact CB-CG 3.82Å
322	T	85.3	Confident	79.6	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-88.7	-48.4	-178.7	-63.6	0	0	0	0	111.3	L119 V121 S299 H301 A326	L119-T322 HydrophobicContact CD1-CG2 4.43Å; L119-T322 HydrophobicContact CD2-CG2 3.91Å; L119-T322 HydrophobicContact CG-CG2 4.02Å; V121-T322 HydrophobicContact CB-CG2 4.46Å; V121-T322 HydrophobicContact CG2-CG2 3.42Å; V121-T322 VanDerWaalsContact CG2-CG2 3.42Å; S299-T322 PolarHBondContact O-N 3.32Å; H301-T322 PolarHBondContact O-N 2.96Å; H301-T322 VanDerWaalsContact O-N 3.12Å; H301-T322 PolarHBondContact O-OG1 3.35Å; T322-A326 WeakPolarHBondContact O-CB 3.23Å; T322-A326 PolarHBondContact O-N 3.45Å
323	A	85.2	Confident	81.6	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-75.1	-58.5	-171.7	0	0	0	0	0	114.3	W95 F114 L119 S299 Y325 A326 V327	W95-A323 HydrophobicContact CH2-CB 3.7Å; W95-A323 HydrophobicContact CZ3-CB 4.09Å; F114-A323 HydrophobicContact CB-CB 4.34Å; F114-A323 HydrophobicContact CD2-CB 4Å; L119-A323 HydrophobicContact CD1-CB 4.21Å; L119-A323 HydrophobicContact CD2-CB 3.78Å; S299-A323 VanDerWaalsContact CB-CB 3.45Å; S299-A323 PolarHBondContact O-N 2.79Å; S299-A323 VanDerWaalsContact O-N 3.12Å; A323-Y325 VanDerWaalsContact C-N 3.28Å; A323-Y325 PolarHBondContact O-N 2.87Å; A323-A326 PolarHBondContact O-N 2.89Å; A323-V327 WeakPolarHBondContact O-CG2 3.38Å; A323-V327 PolarHBondContact O-N 3Å
324	G	83.8	Confident	83.5	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.2	-39	-177.3	0	0	0	0	0	111.6	D321 A326 V327 M328 G521	D321-G324 WeakPolarHBondContact OD2-CA 3.32Å; D321-G324 PolarHBondContact OD2-N 3.43Å; G324-A326 PolarHBondContact O-N 3.38Å; G324-V327 PolarHBondContact O-N 3.24Å; G324-M328 VanDerWaalsContact O-CB 3.29Å; G324-M328 WeakPolarHBondContact O-CB 3.47Å; G324-M328 PolarHBondContact O-N 3.27Å; G324-G521 VanDerWaalsContact C-N 3.34Å
325	Y	87.3	Confident	84.8	Confident	2 Å²	2	9.3 Å²	9.3	1%	0.008	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-45.3	173.4	-172	-117.2	0	0	0	112.6	L303 Y304 R320 D321 A323 L329 S358 Y362	L303-Y325 HydrophobicContact CD2-CD1 3.66Å; L303-Y325 HydrophobicContact CD2-CE1 3.98Å; Y304-Y325 HydrophobicContact CE1-CD1 4.22Å; Y304-Y325 AromaticContact CE1-CE1 3.63Å; Y304-Y325 HydrophobicContact CE1-CE1 3.63Å; Y304-Y325 HydrophobicContact CE1-CE2 4.44Å; Y304-Y325 AromaticContact CE1-CZ 3.73Å; Y304-Y325 PolarHBondContact OH-OH 2.92Å; R320-Y325 HydrophobicContact CG-CD1 4.08Å; R320-Y325 HydrophobicContact CG-CD2 3.66Å; R320-Y325 HydrophobicContact CG-CE2 4.2Å; R320-Y325 HydrophobicContact CG-CG 3.58Å; D321-Y325 WeakPolarHBondContact O-CB 3.45Å; D321-Y325 PolarHBondContact OD2-N 3.46Å; A323-Y325 VanDerWaalsContact C-N 3.28Å; A323-Y325 PolarHBondContact O-N 2.87Å; Y325-L329 HydrophobicContact CD1-CD1 3.96Å; Y325-L329 HydrophobicContact CD2-CD1 4.2Å; Y325-L329 HydrophobicContact CD2-CG 4.18Å; Y325-L329 HydrophobicContact CE1-CD1 3.44Å; Y325-L329 VanDerWaalsContact CE1-CD1 3.44Å; Y325-L329 HydrophobicContact CE1-CG 4.4Å; Y325-L329 HydrophobicContact CE2-CD1 3.71Å; Y325-L329 HydrophobicContact CE2-CD2 4.18Å; Y325-L329 HydrophobicContact CE2-CG 3.94Å; Y325-L329 HydrophobicContact CG-CD1 4.33Å; Y325-L329 WeakPolarHBondContact O-CB 3.35Å; Y325-L329 VanDerWaalsContact O-CG 3.29Å; Y325-L329 WeakPolarHBondContact O-CG 3.35Å; Y325-L329 PolarHBondContact O-N 3.05Å; Y325-S358 VanDerWaalsContact OH-CA 3.23Å; Y325-S358 WeakPolarHBondContact OH-CA 3.41Å; Y325-S358 PolarHBondContact OH-N 2.81Å; Y325-S358 PolarHBondContact OH-OG 2.89Å; Y325-Y362 AromaticContact CE1-CD2 3.63Å; Y325-Y362 HydrophobicContact CE1-CD2 3.63Å; Y325-Y362 HydrophobicContact CE1-CE2 4.27Å; Y325-Y362 HydrophobicContact CE1-CG 4.02Å
326	A	88.1	Confident	85.7	Confident	1 Å²	1	8.2 Å²	8.2	1%	0.008	5%	0.045	C	C	.	.	H	α-helix	trans	-65.5	-42.1	178.4	0	0	0	0	0	112.9	V121 T322 A323 G324 K330 L366	V121-A326 HydrophobicContact CG2-CB 4.19Å; T322-A326 WeakPolarHBondContact O-CB 3.23Å; T322-A326 PolarHBondContact O-N 3.45Å; A323-A326 PolarHBondContact O-N 2.89Å; G324-A326 PolarHBondContact O-N 3.38Å; A326-K330 WeakPolarHBondContact O-CB 3.49Å; A326-K330 PolarHBondContact O-N 3.04Å; A326-K330 VanDerWaalsContact O-N 3.09Å; A326-L366 HydrophobicContact CB-CD1 4.02Å; A326-L366 HydrophobicContact CB-CD2 4.39Å
327	V	89.2	Confident	86.3	Confident	2 Å²	2	7.4 Å²	7.4	1%	0.012	4%	0.042	C	C	.	.	H	α-helix	trans	-64.1	-48.6	178.5	174.7	0	0	0	0	110.6	W86 M89 A90 I93 W95 F114 A323 G324 K330 W331	W86-V327 HydrophobicContact CE3-CG1 4.13Å; M89-V327 HydrophobicContact CB-CG1 4Å; A90-V327 HydrophobicContact CB-CG1 4.45Å; A90-V327 HydrophobicContact CB-CG2 3.98Å; I93-V327 HydrophobicContact CG1-CG2 3.9Å; W95-V327 HydrophobicContact CZ2-CG2 4.3Å; F114-V327 HydrophobicContact CE2-CB 4.37Å; F114-V327 HydrophobicContact CE2-CG2 4.06Å; F114-V327 HydrophobicContact CZ-CB 4.48Å; F114-V327 HydrophobicContact CZ-CG1 4.29Å; F114-V327 HydrophobicContact CZ-CG2 4.16Å; A323-V327 WeakPolarHBondContact O-CG2 3.38Å; A323-V327 PolarHBondContact O-N 3Å; G324-V327 PolarHBondContact O-N 3.24Å; V327-K330 PolarHBondContact O-N 2.95Å; V327-W331 WeakPolarHBondContact O-CB 3.47Å; V327-W331 PolarHBondContact O-N 3.17Å
328	M	87.8	Confident	86.5	Confident	1 Å²	1	8.8 Å²	8.8	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-48.5	180	179.2	60.7	84	0	0	111.5	W86 G324 K330 W331 T332 S465 Y492 P519 P520	W86-M328 HydrophobicContact CH2-CE 3.31Å; W86-M328 HydrophobicContact CH2-SD 3.63Å; W86-M328 HydrophobicContact CZ2-CE 3.62Å; W86-M328 HydrophobicContact CZ2-SD 4.49Å; W86-M328 HydrophobicContact CZ3-CE 4.16Å; W86-M328 HydrophobicContact CZ3-SD 4.22Å; G324-M328 VanDerWaalsContact O-CB 3.29Å; G324-M328 WeakPolarHBondContact O-CB 3.47Å; G324-M328 PolarHBondContact O-N 3.27Å; M328-K330 PolarHBondContact O-N 3.45Å; M328-W331 WeakPolarHBondContact O-CA 3.21Å; M328-W331 WeakPolarHBondContact O-CB 3.21Å; M328-W331 PolarHBondContact O-N 2.62Å; M328-W331 VanDerWaalsContact O-N 3.09Å; M328-W331 HydrophobicContact SD-CE3 4.17Å; M328-T332 HydrophobicContact CG-CG2 4.41Å; M328-T332 WeakPolarHBondContact O-CG2 3.22Å; M328-T332 PolarHBondContact O-N 3.05Å; M328-T332 HydrophobicContact SD-CG2 4.15Å; M328-S465 WeakPolarHBondContact CG-OG 3.31Å; M328-Y492 HydrophobicContact CE-CE2 4.19Å; M328-P519 HydrophobicContact CE-CB 3.64Å; M328-P519 HydrophobicContact CE-CG 4.02Å; M328-P520 WeakPolarHBondContact CB-O 3.06Å; M328-P520 HydrophobicContact CE-CG 4.41Å; M328-P520 WeakPolarHBondContact CE-O 3.5Å
329	L	89.1	Confident	86.6	Confident	0 Å²	0	9 Å²	9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64	-38.9	-179.1	-74.4	-170.8	0	0	0	113.4	Y325 W331 T332 M333 Y359 A363 L366	Y325-L329 HydrophobicContact CD1-CD1 3.96Å; Y325-L329 HydrophobicContact CD2-CD1 4.2Å; Y325-L329 HydrophobicContact CD2-CG 4.18Å; Y325-L329 HydrophobicContact CE1-CD1 3.44Å; Y325-L329 VanDerWaalsContact CE1-CD1 3.44Å; Y325-L329 HydrophobicContact CE1-CG 4.4Å; Y325-L329 HydrophobicContact CE2-CD1 3.71Å; Y325-L329 HydrophobicContact CE2-CD2 4.18Å; Y325-L329 HydrophobicContact CE2-CG 3.94Å; Y325-L329 HydrophobicContact CG-CD1 4.33Å; Y325-L329 WeakPolarHBondContact O-CB 3.35Å; Y325-L329 VanDerWaalsContact O-CG 3.29Å; Y325-L329 WeakPolarHBondContact O-CG 3.35Å; Y325-L329 PolarHBondContact O-N 3.05Å; L329-W331 VanDerWaalsContact C-N 3.27Å; L329-W331 PolarHBondContact O-N 2.95Å; L329-T332 PolarHBondContact O-N 3.12Å; L329-T332 PolarHBondContact O-OG1 3.13Å; L329-M333 WeakPolarHBondContact O-CG 3.48Å; L329-M333 PolarHBondContact O-N 2.81Å; L329-Y359 HydrophobicContact CD2-CE1 4.38Å; L329-A363 HydrophobicContact CB-CB 3.77Å; L329-A363 HydrophobicContact CD1-CB 4.15Å; L329-A363 HydrophobicContact CD2-CB 4.16Å; L329-A363 HydrophobicContact CG-CB 4.25Å; L329-L366 HydrophobicContact CB-CD1 4.25Å
330	K	89.5	Confident	86.6	Confident	32 Å²	32	11.9 Å²	11.9	14%	0.139	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-39.3	173.8	-176.7	171.2	-178.5	166.2	0	111.2	N92 I93 R128 A326 V327 M328	N92-K330 HydrophobicContact CB-CD 4.49Å; N92-K330 PolarHBondContact O-NZ 3.19Å; I93-K330 HydrophobicContact CD1-CB 4.13Å; I93-K330 HydrophobicContact CD1-CD 3.48Å; I93-K330 VanDerWaalsContact CD1-CD 3.48Å; I93-K330 HydrophobicContact CD1-CG 4.44Å; I93-K330 HydrophobicContact CG1-CD 4.46Å; R128-K330 VanDerWaalsContact NH1-NZ 3.17Å; A326-K330 WeakPolarHBondContact O-CB 3.49Å; A326-K330 PolarHBondContact O-N 3.04Å; A326-K330 VanDerWaalsContact O-N 3.09Å; V327-K330 PolarHBondContact O-N 2.95Å; M328-K330 PolarHBondContact O-N 3.45Å
331	W	88.4	Confident	86.6	Confident	12 Å²	12	15.3 Å²	15.3	5%	0.045	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-41	177.9	-177.8	90.6	0	0	0	112.1	F85 W86 M89 V327 M328 L329 S334 N335 I336 L474 V489 P490	F85-W331 HydrophobicContact CZ-CZ2 4.3Å; F85-W331 AromaticContact CZ-NE1 3.67Å; W86-W331 HydrophobicContact CH2-CD2 4.44Å; W86-W331 HydrophobicContact CZ3-CB 4.46Å; W86-W331 HydrophobicContact CZ3-CG 4.26Å; M89-W331 VanDerWaalsContact SD-CD1 3.51Å; V327-W331 WeakPolarHBondContact O-CB 3.47Å; V327-W331 PolarHBondContact O-N 3.17Å; M328-W331 WeakPolarHBondContact O-CA 3.21Å; M328-W331 WeakPolarHBondContact O-CB 3.21Å; M328-W331 PolarHBondContact O-N 2.62Å; M328-W331 VanDerWaalsContact O-N 3.09Å; M328-W331 HydrophobicContact SD-CE3 4.17Å; L329-W331 VanDerWaalsContact C-N 3.27Å; L329-W331 PolarHBondContact O-N 2.95Å; W331-S334 PolarHBondContact O-N 3.14Å; W331-N335 HydrophobicContact CD2-CB 4.14Å; W331-N335 HydrophobicContact CE3-CB 4.39Å; W331-N335 HydrophobicContact CH2-CB 3.91Å; W331-N335 HydrophobicContact CZ2-CB 3.7Å; W331-N335 HydrophobicContact CZ3-CB 4.26Å; W331-N335 PolarHBondContact NE1-ND2 3.19Å; W331-N335 WeakPolarHBondContact O-CB 3.29Å; W331-N335 PolarHBondContact O-N 2.98Å; W331-N335 PolarHBondContact O-ND2 3.01Å; W331-I336 HydrophobicContact CZ3-CD1 4.21Å; W331-I336 HydrophobicContact CZ3-CG1 4.03Å; W331-L474 HydrophobicContact CH2-CD1 4.35Å; W331-L474 HydrophobicContact CZ2-CD1 4.16Å; W331-V489 HydrophobicContact CE3-CG1 4.48Å; W331-V489 HydrophobicContact CH2-CG1 3.67Å; W331-V489 HydrophobicContact CZ3-CG1 3.36Å; W331-P490 HydrophobicContact CH2-CB 4.09Å; W331-P490 HydrophobicContact CH2-CG 3.87Å; W331-P490 HydrophobicContact CZ2-CB 4.03Å; W331-P490 HydrophobicContact CZ2-CG 3.95Å
332	T	88.9	Confident	86.4	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-38.2	-179.6	58.7	0	0	0	0	112.7	M328 L329 S334 I336 Y337	M328-T332 HydrophobicContact CG-CG2 4.41Å; M328-T332 WeakPolarHBondContact O-CG2 3.22Å; M328-T332 PolarHBondContact O-N 3.05Å; M328-T332 HydrophobicContact SD-CG2 4.15Å; L329-T332 PolarHBondContact O-N 3.12Å; L329-T332 PolarHBondContact O-OG1 3.13Å; T332-S334 VanDerWaalsContact C-N 3.32Å; T332-S334 PolarHBondContact O-N 3.38Å; T332-I336 HydrophobicContact CG2-CD1 3.6Å; T332-I336 HydrophobicContact CG2-CG1 4.31Å; T332-I336 WeakPolarHBondContact O-CA 3.4Å; T332-I336 VanDerWaalsContact O-CB 3.23Å; T332-I336 WeakPolarHBondContact O-CB 3.42Å; T332-I336 PolarHBondContact O-N 3.23Å; T332-Y337 WeakPolarHBondContact O-CD2 3.35Å; T332-Y337 PolarHBondContact O-N 3.46Å; T332-Y337 VanDerWaalsContact O-N 3.15Å
333	M	88	Confident	86.6	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-43	178.2	-67.2	-57	-76.5	0	0	112.8	L329 Y337 G338 L339 W345 Y359 A363 P364 H367	L329-M333 WeakPolarHBondContact O-CG 3.48Å; L329-M333 PolarHBondContact O-N 2.81Å; M333-Y337 HydrophobicContact SD-CD2 3.92Å; M333-Y337 HydrophobicContact SD-CE2 4.41Å; M333-G338 PolarHBondContact O-N 2.78Å; M333-L339 HydrophobicContact CE-CD1 3.28Å; M333-L339 PolarHBondContact O-N 3.49Å; M333-L339 VanDerWaalsContact O-N 3.07Å; M333-L339 HydrophobicContact SD-CD1 4.37Å; M333-W345 HydrophobicContact CE-CB 4.35Å; M333-W345 HydrophobicContact CE-CD2 4.17Å; M333-W345 HydrophobicContact CE-CG 4.02Å; M333-Y359 HydrophobicContact SD-CD1 4.33Å; M333-A363 HydrophobicContact CG-CB 3.63Å; M333-A363 HydrophobicContact SD-CB 3.73Å; M333-P364 HydrophobicContact CE-CB 4.19Å; M333-P364 HydrophobicContact CE-CG 4.07Å; M333-H367 HydrophobicContact CB-CB 3.9Å; M333-H367 HydrophobicContact CG-CB 4.14Å
334	S	86.7	Confident	86.9	Confident	52 Å²	52	19.7 Å²	19.7	36%	0.364	13%	0.132	S	C	.	.	H	α-helix	trans	-79	-48.2	179.3	-175.2	0	0	0	0	112.2	W331 T332 G338	W331-S334 PolarHBondContact O-N 3.14Å; T332-S334 VanDerWaalsContact C-N 3.32Å; T332-S334 PolarHBondContact O-N 3.38Å; S334-G338 VanDerWaalsContact O-CA 3.23Å; S334-G338 WeakPolarHBondContact O-CA 3.14Å; S334-G338 PolarHBondContact O-N 3.14Å
335	N	85.2	Confident	87.3	Confident	30 Å²	30	19.7 Å²	19.7	16%	0.16	13%	0.132	C	C	.	.	H	α-helix	trans	-88.6	-34.9	-168.6	-66.2	-75.2	0	0	0	114.1	W331 C471 G473 L474	W331-N335 HydrophobicContact CD2-CB 4.14Å; W331-N335 HydrophobicContact CE3-CB 4.39Å; W331-N335 HydrophobicContact CH2-CB 3.91Å; W331-N335 HydrophobicContact CZ2-CB 3.7Å; W331-N335 HydrophobicContact CZ3-CB 4.26Å; W331-N335 PolarHBondContact NE1-ND2 3.19Å; W331-N335 WeakPolarHBondContact O-CB 3.29Å; W331-N335 PolarHBondContact O-N 2.98Å; W331-N335 PolarHBondContact O-ND2 3.01Å; N335-C471 CarbonylContact O-C 3.59Å; N335-C471 WeakPolarHBondContact O-CB 3.4Å; N335-G473 WeakPolarHBondContact O-CA 3.44Å; N335-G473 PolarHBondContact O-N 2.85Å; N335-L474 HydrophobicContact CB-CD1 4.28Å; N335-L474 HydrophobicContact CB-CD2 4.42Å; N335-L474 HydrophobicContact CB-CG 4.07Å; N335-L474 PolarHBondContact O-N 2.86Å; N335-L474 WeakPolarHBondContact OD1-CD2 3.3Å
336	I	84.3	Confident	87.5	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-58.2	177.7	-58.5	-174.7	0	0	0	109.6	W331 T332 F431 A466 S469 I472 V489	W331-I336 HydrophobicContact CZ3-CD1 4.21Å; W331-I336 HydrophobicContact CZ3-CG1 4.03Å; T332-I336 HydrophobicContact CG2-CD1 3.6Å; T332-I336 HydrophobicContact CG2-CG1 4.31Å; T332-I336 WeakPolarHBondContact O-CA 3.4Å; T332-I336 VanDerWaalsContact O-CB 3.23Å; T332-I336 WeakPolarHBondContact O-CB 3.42Å; T332-I336 PolarHBondContact O-N 3.23Å; I336-F431 HydrophobicContact CG2-CE1 4.36Å; I336-A466 HydrophobicContact CD1-CB 3.73Å; I336-S469 WeakPolarHBondContact CG2-OG 3.45Å; I336-I472 WeakPolarHBondContact O-CB 3.32Å; I336-I472 PolarHBondContact O-N 3.12Å; I336-V489 HydrophobicContact CD1-CG1 4.1Å; I336-V489 HydrophobicContact CD1-CG2 3.82Å
337	Y	84.8	Confident	87.6	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.008	13%	0.131	C	C	.	.	S	Bend	trans	-84.2	-11.7	-172.1	-58.3	-74.2	0	0	0	113.8	T332 M333 L339 W345 Y359 F431 H456	T332-Y337 WeakPolarHBondContact O-CD2 3.35Å; T332-Y337 PolarHBondContact O-N 3.46Å; T332-Y337 VanDerWaalsContact O-N 3.15Å; M333-Y337 HydrophobicContact SD-CD2 3.92Å; M333-Y337 HydrophobicContact SD-CE2 4.41Å; Y337-L339 PolarHBondContact O-N 3.49Å; Y337-W345 AromaticContact CD1-CH2 3.28Å; Y337-W345 HydrophobicContact CD1-CH2 3.28Å; Y337-W345 HydrophobicContact CD1-CZ2 4.28Å; Y337-W345 AromaticContact CD1-CZ3 3.63Å; Y337-W345 HydrophobicContact CD1-CZ3 3.63Å; Y337-W345 AromaticContact CE1-CH2 3.42Å; Y337-W345 HydrophobicContact CE1-CH2 3.42Å; Y337-W345 VanDerWaalsContact CE1-CH2 3.42Å; Y337-W345 HydrophobicContact CE1-CZ2 4.15Å; Y337-W345 HydrophobicContact CE1-CZ3 4.24Å; Y337-W345 AromaticContact CG-CH2 3.89Å; Y337-W345 HydrophobicContact CG-CH2 3.89Å; Y337-W345 HydrophobicContact CG-CZ3 4.02Å; Y337-Y359 HydrophobicContact CD2-CE1 4.45Å; Y337-Y359 AromaticContact CE2-CD1 3.85Å; Y337-Y359 HydrophobicContact CE2-CD1 3.85Å; Y337-Y359 AromaticContact CE2-CE1 3.37Å; Y337-Y359 HydrophobicContact CE2-CE1 3.37Å; Y337-Y359 AromaticContact CE2-CZ 3.93Å; Y337-Y359 AromaticContact CZ-CE1 3.83Å; Y337-Y359 WeakPolarHBondContact OH-CE1 3.39Å; Y337-Y359 VanDerWaalsContact OH-CZ 3.22Å; Y337-F431 HydrophobicContact CD1-CD1 4.01Å; Y337-F431 AromaticContact CD1-CD2 3.59Å; Y337-F431 HydrophobicContact CD1-CD2 3.59Å; Y337-F431 AromaticContact CD1-CE1 3.85Å; Y337-F431 HydrophobicContact CD1-CE1 3.85Å; Y337-F431 AromaticContact CD1-CE2 3.43Å; Y337-F431 HydrophobicContact CD1-CE2 3.43Å; Y337-F431 VanDerWaalsContact CD1-CE2 3.43Å; Y337-F431 AromaticContact CD1-CG 3.87Å; Y337-F431 HydrophobicContact CD1-CG 3.87Å; Y337-F431 AromaticContact CD1-CZ 3.54Å; Y337-F431 HydrophobicContact CD1-CZ 3.54Å; Y337-F431 HydrophobicContact CE1-CB 4.25Å; Y337-F431 AromaticContact CE1-CD1 3.79Å; Y337-F431 HydrophobicContact CE1-CD1 3.79Å; Y337-F431 AromaticContact CE1-CD2 3.91Å; Y337-F431 HydrophobicContact CE1-CD2 3.91Å; Y337-F431 HydrophobicContact CE1-CE1 4.03Å; Y337-F431 HydrophobicContact CE1-CE2 4.15Å; Y337-F431 AromaticContact CE1-CG 3.71Å; Y337-F431 HydrophobicContact CE1-CG 3.71Å; Y337-F431 HydrophobicContact CE1-CZ 4.18Å; Y337-F431 HydrophobicContact CG-CE2 4.39Å; Y337-F431 HydrophobicContact CG-CZ 4.38Å; Y337-H456 PolarHBondContact OH-NE2 3.27Å
338	G	81.8	Confident	87.4	Confident	30 Å²	30	20.6 Å²	20.6	31%	0.309	14%	0.14	S	C	.	.			trans	68.5	20.3	176.2	0	0	0	0	0	113.9	M333 S334	M333-G338 PolarHBondContact O-N 2.78Å; S334-G338 VanDerWaalsContact O-CA 3.23Å; S334-G338 WeakPolarHBondContact O-CA 3.14Å; S334-G338 PolarHBondContact O-N 3.14Å
339	L	85.7	Confident	87.2	Confident	5 Å²	5	22 Å²	22	3%	0.026	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-82.5	144.6	-173.5	-66.4	167.8	0	0	0	111.3	M333 Y337 D343 W345 H367	M333-L339 HydrophobicContact CE-CD1 3.28Å; M333-L339 PolarHBondContact O-N 3.49Å; M333-L339 VanDerWaalsContact O-N 3.07Å; M333-L339 HydrophobicContact SD-CD1 4.37Å; Y337-L339 PolarHBondContact O-N 3.49Å; L339-D343 HydrophobicContact CD2-CB 4.07Å; L339-W345 HydrophobicContact CD1-CB 4.24Å; L339-W345 HydrophobicContact CD1-CD2 4.07Å; L339-W345 HydrophobicContact CD1-CE3 3.57Å; L339-W345 HydrophobicContact CD1-CG 4.38Å; L339-W345 HydrophobicContact CD1-CZ3 4.19Å; L339-H367 PolarHBondContact O-CE1 3.38Å
340	S	86.1	Confident	86.9	Confident	69 Å²	69	24.8 Å²	24.8	48%	0.483	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-97.7	152	168.8	-64.3	0	0	0	0	110.3	G342 D343 N369	S340-G342 PolarHBondContact O-N 3.07Å; S340-D343 WeakPolarHBondContact CA-OD2 3.48Å; S340-D343 WeakPolarHBondContact CB-OD2 3.39Å; S340-D343 PolarHBondContact N-OD2 2.97Å; S340-D343 WeakPolarHBondContact O-CB 3.23Å; S340-D343 PolarHBondContact O-N 3.17Å; S340-D343 VanDerWaalsContact O-N 3.14Å; S340-N369 PolarHBondContact O-ND2 3.26Å
341	P	86.1	Confident	86.4	Confident	73 Å²	73	23.5 Å²	23.5	47%	0.474	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.2	174.4	-20.4	31.9	0	0	0	110.8
342	G	83.6	Confident	85.7	Confident	32 Å²	32	23.4 Å²	23.4	33%	0.33	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-18.5	-173.6	0	0	0	0	0	114.8	S340 G368	S340-G342 PolarHBondContact O-N 3.07Å; G342-G368 PolarHBondContact N-O 3.01Å
343	D	89.9	Confident	85.3	Confident	46 Å²	46	26.8 Å²	26.8	25%	0.246	18%	0.175	C	C	.	.			trans	-65	151.9	174.9	-70.5	-33.5	0	0	0	111.5	L339 S340 N369 S370	L339-D343 HydrophobicContact CD2-CB 4.07Å; S340-D343 WeakPolarHBondContact CA-OD2 3.48Å; S340-D343 WeakPolarHBondContact CB-OD2 3.39Å; S340-D343 PolarHBondContact N-OD2 2.97Å; S340-D343 WeakPolarHBondContact O-CB 3.23Å; S340-D343 PolarHBondContact O-N 3.17Å; S340-D343 VanDerWaalsContact O-N 3.14Å; D343-N369 WeakPolarHBondContact CB-ND2 3.25Å; D343-N369 PolarHBondContact N-ND2 3.04Å; D343-N369 WeakPolarHBondContact O-CA 3.37Å; D343-N369 WeakPolarHBondContact O-CB 3.3Å; D343-N369 PolarHBondContact O-ND2 2.95Å; D343-S370 PolarHBondContact O-N 2.83Å
344	V	90.1	Very high	84.9	Confident	25 Å²	25	26.8 Å²	26.8	15%	0.152	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.8	175.5	-177.9	0	0	0	0	108.8	I141 S370 I372 P396 S397	I141-V344 HydrophobicContact CD1-CG1 4.02Å; V344-S370 WeakPolarHBondContact CA-O 3.24Å; V344-I372 HydrophobicContact CG1-CD1 3.54Å; V344-I372 HydrophobicContact CG1-CG1 3.96Å; V344-P396 HydrophobicContact CB-CB 4.49Å; V344-P396 HydrophobicContact CG1-CB 4.12Å; V344-P396 CarbonylContact O-C 3.47Å; V344-P396 VanDerWaalsContact O-CA 3.29Å; V344-P396 WeakPolarHBondContact O-CA 3.34Å; V344-P396 WeakPolarHBondContact O-CB 3.42Å; V344-S397 PolarHBondContact O-N 3.38Å
345	W	92.3	Very high	84.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138	179.1	169.7	-102.8	0	0	0	110.2	M333 Y337 L339 A347 Y359 P364 S370 T371 I372 S398 F400 F431	M333-W345 HydrophobicContact CE-CB 4.35Å; M333-W345 HydrophobicContact CE-CD2 4.17Å; M333-W345 HydrophobicContact CE-CG 4.02Å; Y337-W345 AromaticContact CD1-CH2 3.28Å; Y337-W345 HydrophobicContact CD1-CH2 3.28Å; Y337-W345 HydrophobicContact CD1-CZ2 4.28Å; Y337-W345 AromaticContact CD1-CZ3 3.63Å; Y337-W345 HydrophobicContact CD1-CZ3 3.63Å; Y337-W345 AromaticContact CE1-CH2 3.42Å; Y337-W345 HydrophobicContact CE1-CH2 3.42Å; Y337-W345 VanDerWaalsContact CE1-CH2 3.42Å; Y337-W345 HydrophobicContact CE1-CZ2 4.15Å; Y337-W345 HydrophobicContact CE1-CZ3 4.24Å; Y337-W345 AromaticContact CG-CH2 3.89Å; Y337-W345 HydrophobicContact CG-CH2 3.89Å; Y337-W345 HydrophobicContact CG-CZ3 4.02Å; L339-W345 HydrophobicContact CD1-CB 4.24Å; L339-W345 HydrophobicContact CD1-CD2 4.07Å; L339-W345 HydrophobicContact CD1-CE3 3.57Å; L339-W345 HydrophobicContact CD1-CG 4.38Å; L339-W345 HydrophobicContact CD1-CZ3 4.19Å; W345-A347 HydrophobicContact CZ2-CB 4.4Å; W345-Y359 VanDerWaalsContact CD1-O 3.24Å; W345-Y359 PolarHBondContact NE1-O 3Å; W345-P364 VanDerWaalsContact CD1-CG 3.48Å; W345-P364 HydrophobicContact CG-CG 4.33Å; W345-S370 PolarHBondContact N-O 3.4Å; W345-T371 WeakPolarHBondContact O-CA 2.81Å; W345-I372 PolarHBondContact O-N 2.88Å; W345-S398 VanDerWaalsContact CZ3-CB 3.41Å; W345-F400 HydrophobicContact CH2-CB 3.6Å; W345-F400 HydrophobicContact CH2-CG 4.42Å; W345-F400 HydrophobicContact CZ2-CB 3.48Å; W345-F400 VanDerWaalsContact CZ2-CB 3.48Å; W345-F400 HydrophobicContact CZ2-CD2 4.09Å; W345-F400 HydrophobicContact CZ2-CG 4.18Å; W345-F431 HydrophobicContact CH2-CD2 4.37Å; W345-F431 HydrophobicContact CZ3-CD2 4.39Å
346	W	92.2	Very high	84.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.5	175.4	-175.9	30.1	0	0	0	112	A348 I372 F387 V390 L391 P396 S398 M399 F400	W346-A348 HydrophobicContact CZ2-CB 3.97Å; W346-I372 HydrophobicContact CB-CB 4.14Å; W346-I372 HydrophobicContact CB-CD1 3.88Å; W346-I372 HydrophobicContact CG-CB 3.98Å; W346-I372 HydrophobicContact CG-CD1 4.2Å; W346-I372 HydrophobicContact CG-CG2 4.13Å; W346-F387 HydrophobicContact CH2-CB 3.79Å; W346-F387 AromaticContact CH2-CD1 3.53Å; W346-F387 HydrophobicContact CH2-CD1 3.53Å; W346-F387 AromaticContact CH2-CD2 3.98Å; W346-F387 HydrophobicContact CH2-CD2 3.98Å; W346-F387 AromaticContact CH2-CE1 3.97Å; W346-F387 HydrophobicContact CH2-CE1 3.97Å; W346-F387 HydrophobicContact CH2-CE2 4.39Å; W346-F387 AromaticContact CH2-CG 3.51Å; W346-F387 HydrophobicContact CH2-CG 3.51Å; W346-F387 HydrophobicContact CH2-CZ 4.38Å; W346-F387 AromaticContact CZ2-CD1 3.91Å; W346-F387 HydrophobicContact CZ2-CD1 3.91Å; W346-F387 AromaticContact CZ2-CE1 3.93Å; W346-F387 HydrophobicContact CZ2-CE1 3.93Å; W346-F387 HydrophobicContact CZ2-CG 4.31Å; W346-F387 HydrophobicContact CZ2-CZ 4.37Å; W346-F387 HydrophobicContact CZ3-CB 4.32Å; W346-F387 HydrophobicContact CZ3-CG 4.37Å; W346-V390 HydrophobicContact CD2-CG1 3.99Å; W346-V390 HydrophobicContact CE3-CG1 4.11Å; W346-V390 HydrophobicContact CH2-CB 4.09Å; W346-V390 HydrophobicContact CH2-CG1 4.04Å; W346-V390 HydrophobicContact CZ2-CB 4.31Å; W346-V390 HydrophobicContact CZ2-CG1 3.92Å; W346-V390 HydrophobicContact CZ3-CB 4.33Å; W346-V390 HydrophobicContact CZ3-CG1 4.13Å; W346-L391 HydrophobicContact CE3-CD2 3.63Å; W346-L391 HydrophobicContact CE3-CG 4.16Å; W346-L391 HydrophobicContact CZ3-CD1 4.44Å; W346-L391 HydrophobicContact CZ3-CD2 3.72Å; W346-L391 HydrophobicContact CZ3-CG 3.73Å; W346-P396 HydrophobicContact CB-CB 4.09Å; W346-P396 HydrophobicContact CB-CG 4.27Å; W346-S398 PolarHBondContact N-O 2.93Å; W346-M399 HydrophobicContact CD2-CE 4.47Å; W346-M399 HydrophobicContact CD2-CG 4.35Å; W346-M399 HydrophobicContact CE3-CB 4.37Å; W346-M399 HydrophobicContact CE3-CE 3.74Å; W346-M399 HydrophobicContact CE3-CG 3.65Å; W346-M399 HydrophobicContact CE3-SD 3.59Å; W346-M399 VanDerWaalsContact CE3-SD 3.59Å; W346-M399 HydrophobicContact CH2-CE 3.52Å; W346-M399 HydrophobicContact CH2-SD 4.29Å; W346-M399 HydrophobicContact CZ2-CE 4.29Å; W346-M399 HydrophobicContact CZ3-CE 3.19Å; W346-M399 HydrophobicContact CZ3-CG 4.06Å; W346-M399 HydrophobicContact CZ3-SD 3.36Å; W346-M399 WeakPolarHBondContact CZ3-SD 3.24Å; W346-M399 CarbonylContact O-C 3.5Å; W346-M399 WeakPolarHBondContact O-CA 3.44Å; W346-F400 PolarHBondContact O-N 3.13Å
347	A	89.3	Confident	84.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112	167.1	0	0	0	0	0	109.8	W345 S349 I360 F400	W345-A347 HydrophobicContact CZ2-CB 4.4Å; A347-S349 VanDerWaalsContact C-N 3.33Å; A347-S349 PolarHBondContact O-N 3.27Å; A347-S349 VanDerWaalsContact O-N 3.08Å; A347-I360 HydrophobicContact CB-CG1 3.7Å; A347-I360 WeakPolarHBondContact O-CD1 3.44Å; A347-F400 CarbonylContact C-O 3.56Å; A347-F400 WeakPolarHBondContact CA-O 3.16Å; A347-F400 HydrophobicContact CB-CB 4.11Å; A347-F400 HydrophobicContact CB-CD2 4.03Å; A347-F400 HydrophobicContact CB-CG 4.5Å
348	A	85.8	Confident	85	Confident	22 Å²	22	23.7 Å²	23.7	18%	0.182	16%	0.155	C	C	.	.			trans	-82.8	76.8	176.7	0	0	0	0	0	110.2	W346 F387 M399 F400	W346-A348 HydrophobicContact CZ2-CB 3.97Å; A348-F387 HydrophobicContact CB-CE1 4.47Å; A348-F387 HydrophobicContact CB-CE2 4.13Å; A348-F387 HydrophobicContact CB-CZ 3.73Å; A348-M399 HydrophobicContact CB-CE 4.37Å; A348-F400 PolarHBondContact N-O 2.99Å
349	S	83.8	Confident	85.3	Confident	32 Å²	32	22.2 Å²	22.2	22%	0.224	14%	0.14	C	C	.	.	S	Bend	trans	-146	177.2	176.3	-162.4	0	0	0	0	110.8	M186 A347 V355 I360	M186-S349 WeakPolarHBondContact CE-O 3.25Å; A347-S349 VanDerWaalsContact C-N 3.33Å; A347-S349 PolarHBondContact O-N 3.27Å; A347-S349 VanDerWaalsContact O-N 3.08Å; S349-V355 WeakPolarHBondContact OG-CB 3.46Å; S349-I360 WeakPolarHBondContact O-CD1 3.35Å
350	D	81.4	Confident	85.6	Confident	58 Å²	58	22 Å²	22	31%	0.31	14%	0.139	S	C	.	.			trans	-95.5	148.7	173.9	-57.6	-84.7	0	0	0	112.3	M186 F208 G352 W353 G356	M186-D350 VanDerWaalsContact SD-CA 3.57Å; M186-D350 HydrophobicContact SD-CB 4.15Å; F208-D350 HydrophobicContact CD2-CB 4.2Å; F208-D350 HydrophobicContact CE2-CB 4.06Å; D350-G352 PolarHBondContact O-N 3.05Å; D350-W353 PolarHBondContact O-N 2.73Å; D350-W353 VanDerWaalsContact O-N 3.12Å; D350-G356 WeakPolarHBondContact O-CA 2.87Å; D350-G356 PolarHBondContact O-N 2.79Å
351	L	80.8	Confident	85.8	Confident	4 Å²	4	18.7 Å²	18.7	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.9	169.8	-67.7	171.7	0	0	0	112.2	M186 A190 M191 M194 L206 W353 H357 I360 C361 L373	M186-L351 HydrophobicContact CE-CG 4.38Å; M186-L351 HydrophobicContact SD-CB 4Å; M186-L351 HydrophobicContact SD-CD1 4.16Å; M186-L351 HydrophobicContact SD-CG 3.71Å; M186-L351 PolarHBondContact SD-N 3.43Å; A190-L351 HydrophobicContact CB-CD1 3.72Å; M191-L351 HydrophobicContact CG-CD1 3.84Å; M191-L351 HydrophobicContact CG-CD2 4.14Å; M194-L351 HydrophobicContact SD-CD2 4.23Å; L206-L351 HydrophobicContact CD1-CB 3.87Å; L206-L351 HydrophobicContact CD2-CB 4.34Å; L206-L351 WeakPolarHBondContact CD2-O 3.43Å; L351-W353 PolarHBondContact O-N 3.07Å; L351-H357 PolarHBondContact O-CE1 3.15Å; L351-H357 PolarHBondContact O-ND1 3.31Å; L351-I360 HydrophobicContact CD2-CB 4.18Å; L351-I360 HydrophobicContact CD2-CG2 4.03Å; L351-C361 HydrophobicContact CD2-CB 4.46Å; L351-L373 HydrophobicContact CD1-CD1 4.19Å; L351-L373 HydrophobicContact CG-CD1 4.38Å
352	G	73.4	Confident	86	Confident	10 Å²	10	15.2 Å²	15.2	10%	0.103	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.6	173.2	0	0	0	0	0	115	L206 D350	L206-G352 VanDerWaalsContact CD2-CA 3.47Å; D350-G352 PolarHBondContact O-N 3.05Å
353	W	79.2	Confident	86.4	Confident	71 Å²	71	13.7 Å²	13.7	27%	0.269	8%	0.078	S	C	.	.	S	Bend	trans	-107.7	160.8	-179.5	-51.1	110.5	0	0	0	110.2	D350 L351 V355 G356 H357	D350-W353 PolarHBondContact O-N 2.73Å; D350-W353 VanDerWaalsContact O-N 3.12Å; L351-W353 PolarHBondContact O-N 3.07Å; W353-V355 PolarHBondContact O-N 3.15Å; W353-G356 PolarHBondContact O-N 2.88Å; W353-G356 VanDerWaalsContact O-N 3.08Å; W353-H357 PolarHBondContact O-N 3.24Å; W353-H357 VanDerWaalsContact O-N 3.15Å; W353-H357 PolarHBondContact O-ND1 2.85Å
354	V	81.3	Confident	86.5	Confident	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-61.1	-26.8	174.8	67.9	0	0	0	0	112.4	L306 G356 H357 S358 W458 T460	L306-V354 HydrophobicContact CD2-CB 3.83Å; V354-G356 PolarHBondContact O-N 3.24Å; V354-H357 PolarHBondContact O-N 3.06Å; V354-S358 WeakPolarHBondContact O-CB 3.41Å; V354-S358 PolarHBondContact O-N 3.4Å; V354-S358 PolarHBondContact O-OG 3.41Å; V354-W458 HydrophobicContact CB-CH2 4.42Å; V354-W458 HydrophobicContact CB-CZ3 4.15Å; V354-W458 HydrophobicContact CG1-CE3 4.26Å; V354-W458 HydrophobicContact CG1-CH2 3.48Å; V354-W458 VanDerWaalsContact CG1-CH2 3.48Å; V354-W458 HydrophobicContact CG1-CZ3 3.26Å; V354-W458 HydrophobicContact CG2-CH2 4.35Å; V354-W458 HydrophobicContact CG2-CZ3 3.83Å; V354-T460 WeakPolarHBondContact CB-O 3.32Å; V354-T460 VanDerWaalsContact CG1-CA 3.43Å; V354-T460 VanDerWaalsContact CG1-CB 3.47Å; V354-T460 HydrophobicContact CG1-CG2 3.7Å; V354-T460 WeakPolarHBondContact CG1-O 3.47Å; V354-T460 WeakPolarHBondContact CG2-O 3.46Å
355	V	83.5	Confident	86.5	Confident	17 Å²	17	10.3 Å²	10.3	10%	0.103	6%	0.059	C	C	.	.	H	α-helix	trans	-60.1	-43.6	177.2	176.3	0	0	0	0	109	S349 W353 Y359 I360 F400 W458	S349-V355 WeakPolarHBondContact OG-CB 3.46Å; W353-V355 PolarHBondContact O-N 3.15Å; V355-Y359 WeakPolarHBondContact O-CA 3.43Å; V355-Y359 WeakPolarHBondContact O-CB 3.45Å; V355-Y359 PolarHBondContact O-N 2.73Å; V355-I360 PolarHBondContact O-N 2.87Å; V355-F400 HydrophobicContact CB-CE2 4.46Å; V355-F400 HydrophobicContact CG1-CD2 3.88Å; V355-F400 HydrophobicContact CG1-CE2 3.4Å; V355-F400 HydrophobicContact CG1-CZ 4.09Å; V355-F400 HydrophobicContact CG2-CE2 4.44Å; V355-W458 HydrophobicContact CB-CH2 4.36Å; V355-W458 HydrophobicContact CB-CZ2 4.41Å; V355-W458 HydrophobicContact CG2-CH2 3.77Å; V355-W458 HydrophobicContact CG2-CZ2 3.6Å
356	G	83	Confident	86.5	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-68.7	-39.7	174.3	0	0	0	0	0	113.4	D350 W353 V354 I360 C361	D350-G356 WeakPolarHBondContact O-CA 2.87Å; D350-G356 PolarHBondContact O-N 2.79Å; W353-G356 PolarHBondContact O-N 2.88Å; W353-G356 VanDerWaalsContact O-N 3.08Å; V354-G356 PolarHBondContact O-N 3.24Å; G356-I360 WeakPolarHBondContact O-CA 3.28Å; G356-I360 VanDerWaalsContact O-CB 3.24Å; G356-I360 WeakPolarHBondContact O-CB 3.44Å; G356-I360 PolarHBondContact O-N 2.97Å; G356-I360 VanDerWaalsContact O-N 3.08Å; G356-C361 PolarHBondContact O-N 3.3Å
357	H	87.3	Confident	86.3	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.063	C	C	.	.	I	π-helix	trans	-62.2	-57	176.2	-71.2	70.2	0	0	0	111.6	M194 H204 L351 W353 V354 Y362	M194-H357 HydrophobicContact CE-CB 4.47Å; H204-H357 AromaticContact CE1-CD2 3.74Å; H204-H357 AromaticContact CE1-NE2 3.7Å; L351-H357 PolarHBondContact O-CE1 3.15Å; L351-H357 PolarHBondContact O-ND1 3.31Å; W353-H357 PolarHBondContact O-N 3.24Å; W353-H357 VanDerWaalsContact O-N 3.15Å; W353-H357 PolarHBondContact O-ND1 2.85Å; V354-H357 PolarHBondContact O-N 3.06Å; H357-Y362 WeakPolarHBondContact O-CD2 3.25Å; H357-Y362 PolarHBondContact O-N 2.99Å
358	S	87.8	Confident	86.3	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-69.2	-52.5	-176.1	-65.6	0	0	0	0	111.4	Y325 V354 A363 G464	Y325-S358 VanDerWaalsContact OH-CA 3.23Å; Y325-S358 WeakPolarHBondContact OH-CA 3.41Å; Y325-S358 PolarHBondContact OH-N 2.81Å; Y325-S358 PolarHBondContact OH-OG 2.89Å; V354-S358 WeakPolarHBondContact O-CB 3.41Å; V354-S358 PolarHBondContact O-N 3.4Å; V354-S358 PolarHBondContact O-OG 3.41Å; S358-A363 WeakPolarHBondContact O-CA 3.19Å; S358-A363 WeakPolarHBondContact O-CB 3.34Å; S358-A363 PolarHBondContact O-N 2.96Å; S358-G464 PolarHBondContact OG-O 2.65Å
359	Y	89.4	Confident	86.5	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-110.8	-4.4	-165.8	-59.1	-64	0	0	0	115.2	L329 M333 Y337 W345 V355 A363 P364 F400 W458 A466	L329-Y359 HydrophobicContact CD2-CE1 4.38Å; M333-Y359 HydrophobicContact SD-CD1 4.33Å; Y337-Y359 HydrophobicContact CD2-CE1 4.45Å; Y337-Y359 AromaticContact CE2-CD1 3.85Å; Y337-Y359 HydrophobicContact CE2-CD1 3.85Å; Y337-Y359 AromaticContact CE2-CE1 3.37Å; Y337-Y359 HydrophobicContact CE2-CE1 3.37Å; Y337-Y359 AromaticContact CE2-CZ 3.93Å; Y337-Y359 AromaticContact CZ-CE1 3.83Å; Y337-Y359 WeakPolarHBondContact OH-CE1 3.39Å; Y337-Y359 VanDerWaalsContact OH-CZ 3.22Å; W345-Y359 VanDerWaalsContact CD1-O 3.24Å; W345-Y359 PolarHBondContact NE1-O 3Å; V355-Y359 WeakPolarHBondContact O-CA 3.43Å; V355-Y359 WeakPolarHBondContact O-CB 3.45Å; V355-Y359 PolarHBondContact O-N 2.73Å; Y359-A363 HydrophobicContact CD1-CB 4.05Å; Y359-A363 HydrophobicContact CE1-CB 4.44Å; Y359-P364 WeakPolarHBondContact O-CG 3.4Å; Y359-F400 HydrophobicContact CD2-CD2 4.25Å; Y359-F400 AromaticContact CD2-CE2 3.69Å; Y359-F400 HydrophobicContact CD2-CE2 3.69Å; Y359-F400 HydrophobicContact CE2-CE2 4.31Å; Y359-F400 HydrophobicContact CG-CD2 4.39Å; Y359-F400 HydrophobicContact CG-CE2 4.28Å; Y359-W458 AromaticContact CD2-CH2 3.95Å; Y359-W458 HydrophobicContact CD2-CH2 3.95Å; Y359-W458 AromaticContact CD2-CZ2 3.81Å; Y359-W458 HydrophobicContact CD2-CZ2 3.81Å; Y359-W458 AromaticContact CE2-CH2 3.7Å; Y359-W458 HydrophobicContact CE2-CH2 3.7Å; Y359-W458 AromaticContact CE2-CZ2 3.5Å; Y359-W458 HydrophobicContact CE2-CZ2 3.5Å; Y359-W458 VanDerWaalsContact CE2-CZ2 3.5Å; Y359-W458 HydrophobicContact CE2-CZ3 4.44Å; Y359-A466 PolarHBondContact OH-N 3.38Å
360	I	90.4	Very high	86.9	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-98.9	-46.1	166.1	-60.3	172.3	0	0	0	110	M186 M191 A347 S349 L351 V355 G356 T371 L373	M186-I360 HydrophobicContact CE-CD1 4.07Å; M191-I360 HydrophobicContact SD-CG2 4.26Å; A347-I360 HydrophobicContact CB-CG1 3.7Å; A347-I360 WeakPolarHBondContact O-CD1 3.44Å; S349-I360 WeakPolarHBondContact O-CD1 3.35Å; L351-I360 HydrophobicContact CD2-CB 4.18Å; L351-I360 HydrophobicContact CD2-CG2 4.03Å; V355-I360 PolarHBondContact O-N 2.87Å; G356-I360 WeakPolarHBondContact O-CA 3.28Å; G356-I360 VanDerWaalsContact O-CB 3.24Å; G356-I360 WeakPolarHBondContact O-CB 3.44Å; G356-I360 PolarHBondContact O-N 2.97Å; G356-I360 VanDerWaalsContact O-N 3.08Å; I360-T371 WeakPolarHBondContact O-CB 3.41Å; I360-T371 VanDerWaalsContact O-CG2 3.3Å; I360-T371 WeakPolarHBondContact O-CG2 3.34Å; I360-T371 PolarHBondContact O-OG1 3.19Å; I360-L373 HydrophobicContact CG2-CD1 3.91Å
361	C	90.2	Very high	87.5	Confident	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	I	π-helix	trans	-93.7	-71.9	-174.4	-168.2	0	0	0	0	113	M191 M194 L351 G356 L365	M191-C361 HydrophobicContact CE-CB 4.1Å; M194-C361 HydrophobicContact CE-CB 3.99Å; L351-C361 HydrophobicContact CD2-CB 4.46Å; G356-C361 PolarHBondContact O-N 3.3Å; C361-L365 WeakPolarHBondContact O-CB 3.38Å; C361-L365 VanDerWaalsContact O-CD1 3.29Å; C361-L365 WeakPolarHBondContact O-CD1 3.29Å; C361-L365 WeakPolarHBondContact O-CG 3.4Å
362	Y	91.6	Very high	88.1	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-74.6	-53.4	-163.5	-70	-63.3	0	0	0	114.2	V121 M194 L195 H204 L303 Y304 Y325 H357 L365 L366	V121-Y362 HydrophobicContact CG1-CD1 3.55Å; V121-Y362 HydrophobicContact CG1-CE1 3.58Å; M194-Y362 HydrophobicContact CE-CE2 4.11Å; L195-Y362 HydrophobicContact CD2-CE1 4.28Å; H204-Y362 AromaticContact NE2-CZ 3.87Å; H204-Y362 PolarHBondContact NE2-OH 2.8Å; L303-Y362 HydrophobicContact CD2-CE1 4.1Å; L303-Y362 HydrophobicContact CD2-CE2 4.05Å; Y304-Y362 HydrophobicContact CD1-CE2 4.2Å; Y304-Y362 HydrophobicContact CE1-CE2 4.38Å; Y325-Y362 AromaticContact CE1-CD2 3.63Å; Y325-Y362 HydrophobicContact CE1-CD2 3.63Å; Y325-Y362 HydrophobicContact CE1-CE2 4.27Å; Y325-Y362 HydrophobicContact CE1-CG 4.02Å; H357-Y362 WeakPolarHBondContact O-CD2 3.25Å; H357-Y362 PolarHBondContact O-N 2.99Å; Y362-L365 PolarHBondContact O-N 3.08Å; Y362-L366 VanDerWaalsContact O-CB 3.28Å; Y362-L366 WeakPolarHBondContact O-CB 3.49Å; Y362-L366 WeakPolarHBondContact O-CD1 3.46Å; Y362-L366 WeakPolarHBondContact O-CG 3.28Å; Y362-L366 PolarHBondContact O-N 3.37Å
363	A	91.1	Very high	89	Confident	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-63.2	-47.5	-172.1	0	0	0	0	0	113.4	L329 M333 S358 Y359 L365 L366 H367	L329-A363 HydrophobicContact CB-CB 3.77Å; L329-A363 HydrophobicContact CD1-CB 4.15Å; L329-A363 HydrophobicContact CD2-CB 4.16Å; L329-A363 HydrophobicContact CG-CB 4.25Å; M333-A363 HydrophobicContact CG-CB 3.63Å; M333-A363 HydrophobicContact SD-CB 3.73Å; S358-A363 WeakPolarHBondContact O-CA 3.19Å; S358-A363 WeakPolarHBondContact O-CB 3.34Å; S358-A363 PolarHBondContact O-N 2.96Å; Y359-A363 HydrophobicContact CD1-CB 4.05Å; Y359-A363 HydrophobicContact CE1-CB 4.44Å; A363-L365 PolarHBondContact O-N 3.39Å; A363-L366 PolarHBondContact O-N 3.36Å; A363-H367 WeakPolarHBondContact O-CB 3.32Å; A363-H367 PolarHBondContact O-N 2.9Å; A363-H367 VanDerWaalsContact O-N 3.11Å
364	P	91.8	Very high	89.4	Confident	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-63.3	-43	178.5	-20.3	33.5	0	0	0	111.9	M333 W345 Y359 H367 G368 N369	M333-P364 HydrophobicContact CE-CB 4.19Å; M333-P364 HydrophobicContact CE-CG 4.07Å; W345-P364 VanDerWaalsContact CD1-CG 3.48Å; W345-P364 HydrophobicContact CG-CG 4.33Å; Y359-P364 WeakPolarHBondContact O-CG 3.4Å; P364-H367 PolarHBondContact O-N 3.04Å; P364-G368 PolarHBondContact O-N 2.91Å; P364-N369 HydrophobicContact CB-CB 4.12Å; P364-N369 PolarHBondContact O-N 3.15Å
365	L	91.3	Very high	89.6	Confident	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-67.7	-41.2	-179.7	-64.7	179.1	0	0	0	111.7	A125 H129 A139 F155 L158 M191 L195 C361 Y362 A363 H367 G368	A125-L365 HydrophobicContact CB-CB 3.9Å; H129-L365 PolarHBondContact CD2-O 2.82Å; H129-L365 PolarHBondContact NE2-O 3.01Å; A139-L365 HydrophobicContact CB-CD2 4.11Å; F155-L365 HydrophobicContact CE1-CD2 4.01Å; F155-L365 HydrophobicContact CZ-CD2 4.15Å; L158-L365 HydrophobicContact CD2-CD1 4.27Å; L158-L365 HydrophobicContact CD2-CD2 4.19Å; M191-L365 HydrophobicContact CE-CD1 4.09Å; L195-L365 HydrophobicContact CD1-CD1 3.84Å; L195-L365 HydrophobicContact CD2-CD1 4.4Å; C361-L365 WeakPolarHBondContact O-CB 3.38Å; C361-L365 VanDerWaalsContact O-CD1 3.29Å; C361-L365 WeakPolarHBondContact O-CD1 3.29Å; C361-L365 WeakPolarHBondContact O-CG 3.4Å; Y362-L365 PolarHBondContact O-N 3.08Å; A363-L365 PolarHBondContact O-N 3.39Å; L365-H367 VanDerWaalsContact C-N 3.28Å; L365-H367 PolarHBondContact O-N 3.26Å; L365-G368 PolarHBondContact O-N 2.91Å; L365-G368 VanDerWaalsContact O-N 3.13Å
366	L	91.1	Very high	89.3	Confident	1 Å²	1	3.8 Å²	3.8	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-63.5	-30.8	176.2	-73.7	169.1	0	0	0	113.8	N124 A125 A326 L329 Y362 A363	N124-L366 HydrophobicContact CB-CD2 3.62Å; A125-L366 HydrophobicContact CB-CD2 4.09Å; A125-L366 HydrophobicContact CB-CG 4.33Å; A326-L366 HydrophobicContact CB-CD1 4.02Å; A326-L366 HydrophobicContact CB-CD2 4.39Å; L329-L366 HydrophobicContact CB-CD1 4.25Å; Y362-L366 VanDerWaalsContact O-CB 3.28Å; Y362-L366 WeakPolarHBondContact O-CB 3.49Å; Y362-L366 WeakPolarHBondContact O-CD1 3.46Å; Y362-L366 WeakPolarHBondContact O-CG 3.28Å; Y362-L366 PolarHBondContact O-N 3.37Å; A363-L366 PolarHBondContact O-N 3.36Å
367	H	90	Very high	89	Confident	17 Å²	17	7.5 Å²	7.5	8%	0.079	4%	0.042	C	C	.	.	H	α-helix	trans	-85.8	-17.3	177.1	-165.8	-103.7	0	0	0	112.3	M333 L339 A363 P364 L365 N369	M333-H367 HydrophobicContact CB-CB 3.9Å; M333-H367 HydrophobicContact CG-CB 4.14Å; L339-H367 PolarHBondContact O-CE1 3.38Å; A363-H367 WeakPolarHBondContact O-CB 3.32Å; A363-H367 PolarHBondContact O-N 2.9Å; A363-H367 VanDerWaalsContact O-N 3.11Å; P364-H367 PolarHBondContact O-N 3.04Å; L365-H367 VanDerWaalsContact C-N 3.28Å; L365-H367 PolarHBondContact O-N 3.26Å; H367-N369 WeakPolarHBondContact CB-OD1 3.32Å; H367-N369 PolarHBondContact ND1-OD1 3.17Å
368	G	88	Confident	88.2	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	33.1	-176.1	0	0	0	0	0	113.1	H129 Q137 G342 P364 L365	H129-G368 WeakPolarHBondContact CE1-CA 3.42Å; H129-G368 PolarHBondContact CE1-N 3.46Å; Q137-G368 PolarHBondContact NE2-O 3.25Å; G342-G368 PolarHBondContact N-O 3.01Å; P364-G368 PolarHBondContact O-N 2.91Å; L365-G368 PolarHBondContact O-N 2.91Å; L365-G368 VanDerWaalsContact O-N 3.13Å
369	N	91	Very high	87.3	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-90.4	157.5	172.1	-71.5	109.6	0	0	0	111.6	S340 D343 P364 H367	S340-N369 PolarHBondContact O-ND2 3.26Å; D343-N369 WeakPolarHBondContact CB-ND2 3.25Å; D343-N369 PolarHBondContact N-ND2 3.04Å; D343-N369 WeakPolarHBondContact O-CA 3.37Å; D343-N369 WeakPolarHBondContact O-CB 3.3Å; D343-N369 PolarHBondContact O-ND2 2.95Å; P364-N369 HydrophobicContact CB-CB 4.12Å; P364-N369 PolarHBondContact O-N 3.15Å; H367-N369 WeakPolarHBondContact CB-OD1 3.32Å; H367-N369 PolarHBondContact ND1-OD1 3.17Å
370	S	92.3	Very high	86.2	Confident	5 Å²	5	12 Å²	12	4%	0.035	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125	169.5	-44.9	0	0	0	0	108.5	P138 D343 V344 W345	P138-S370 WeakPolarHBondContact O-CB 3.29Å; P138-S370 PolarHBondContact O-OG 3.08Å; D343-S370 PolarHBondContact O-N 2.83Å; V344-S370 WeakPolarHBondContact CA-O 3.24Å; W345-S370 PolarHBondContact N-O 3.4Å
371	T	93.9	Very high	84.9	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137	179.1	-168.1	0	0	0	0	111.2	A139 I140 I141 M191 W345 I360	A139-T371 WeakPolarHBondContact O-CG2 3.26Å; A139-T371 PolarHBondContact O-N 3.46Å; I140-T371 CarbonylContact C-O 3.44Å; I140-T371 WeakPolarHBondContact CA-O 3.43Å; I140-T371 HydrophobicContact CB-CG2 4.47Å; I140-T371 HydrophobicContact CG1-CG2 4.01Å; I141-T371 PolarHBondContact N-O 3.17Å; M191-T371 HydrophobicContact CE-CG2 3.96Å; W345-T371 WeakPolarHBondContact O-CA 2.81Å; I360-T371 WeakPolarHBondContact O-CB 3.41Å; I360-T371 VanDerWaalsContact O-CG2 3.3Å; I360-T371 WeakPolarHBondContact O-CG2 3.34Å; I360-T371 PolarHBondContact O-OG1 3.19Å
372	I	92.8	Very high	83.6	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.2	175.2	-67.1	160.8	0	0	0	109.7	I141 V344 W345 W346 V390 Y394 P396	I141-I372 HydrophobicContact CB-CG1 3.94Å; I141-I372 HydrophobicContact CD1-CG1 4.12Å; I141-I372 HydrophobicContact CG2-CG1 4.23Å; I141-I372 CarbonylContact O-C 3.58Å; I141-I372 WeakPolarHBondContact O-CA 3.25Å; V344-I372 HydrophobicContact CG1-CD1 3.54Å; V344-I372 HydrophobicContact CG1-CG1 3.96Å; W345-I372 PolarHBondContact O-N 2.88Å; W346-I372 HydrophobicContact CB-CB 4.14Å; W346-I372 HydrophobicContact CB-CD1 3.88Å; W346-I372 HydrophobicContact CG-CB 3.98Å; W346-I372 HydrophobicContact CG-CD1 4.2Å; W346-I372 HydrophobicContact CG-CG2 4.13Å; I372-V390 HydrophobicContact CG2-CG1 4.18Å; I372-Y394 HydrophobicContact CD1-CD2 4.28Å; I372-Y394 HydrophobicContact CD1-CG 4.24Å; I372-P396 HydrophobicContact CD1-CB 4.26Å; I372-P396 HydrophobicContact CD1-CG 4.41Å
373	L	91.4	Very high	82.7	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.8	171.9	-173.3	71.4	0	0	0	109.3	I140 I141 Y142 D143 M186 P188 M191 L351 I360	I140-L373 HydrophobicContact CG2-CB 4.03Å; I141-L373 PolarHBondContact O-N 3.38Å; Y142-L373 WeakPolarHBondContact CA-O 3.31Å; Y142-L373 HydrophobicContact CD2-CB 4.42Å; Y142-L373 HydrophobicContact CD2-CD2 3.98Å; Y142-L373 HydrophobicContact CD2-CG 4.26Å; D143-L373 PolarHBondContact N-O 3.2Å; M186-L373 HydrophobicContact CE-CD1 3.41Å; M186-L373 VanDerWaalsContact CE-CD1 3.41Å; M186-L373 HydrophobicContact CE-CG 4.4Å; M186-L373 HydrophobicContact SD-CD1 4.24Å; P188-L373 HydrophobicContact CG-CD2 4.07Å; M191-L373 HydrophobicContact SD-CD1 4.11Å; M191-L373 HydrophobicContact SD-CD2 4.15Å; L351-L373 HydrophobicContact CD1-CD1 4.19Å; L351-L373 HydrophobicContact CG-CD1 4.38Å; I360-L373 HydrophobicContact CG2-CD1 3.91Å
374	Y	88.6	Confident	81.7	Confident	15 Å²	15	21.7 Å²	21.7	6%	0.059	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.9	-177.6	-179.8	-107	0	0	0	111.1	D143 P145 G376 K377 T381 F387 V390	D143-Y374 WeakPolarHBondContact O-CA 3.49Å; P145-Y374 HydrophobicContact CG-CE2 3.61Å; Y374-G376 WeakPolarHBondContact CE1-O 3.36Å; Y374-K377 PolarHBondContact OH-O 3.42Å; Y374-T381 PolarHBondContact OH-OG1 2.76Å; Y374-F387 HydrophobicContact CD1-CE1 4.37Å; Y374-F387 AromaticContact CE1-CE1 3.89Å; Y374-F387 HydrophobicContact CE1-CE1 3.89Å; Y374-V390 HydrophobicContact CD2-CG2 4.04Å; Y374-V390 HydrophobicContact CE2-CG2 3.96Å
375	E	84.7	Confident	80.8	Confident	9 Å²	9	21.7 Å²	21.7	4%	0.042	14%	0.139	C	C	.	.			trans	-104.6	82.2	174	-170.5	-175	-157.6	0	0	110.1	Y142 D143 S144 P145 V146 M186 R266	Y142-E375 HydrophobicContact CE2-CB 4.04Å; Y142-E375 PolarHBondContact OH-OE2 2.96Å; D143-E375 PolarHBondContact O-N 3.1Å; S144-E375 WeakPolarHBondContact CB-OE2 3.32Å; S144-E375 PolarHBondContact OG-OE2 2.97Å; P145-E375 VanDerWaalsContact CD-O 3.27Å; P145-E375 WeakPolarHBondContact CD-O 3.22Å; V146-E375 HydrophobicContact CG2-CG 4.01Å; V146-E375 WeakPolarHBondContact CG2-O 3.11Å; M186-E375 HydrophobicContact CB-CB 4.11Å; M186-E375 HydrophobicContact CB-CG 4.09Å; M186-E375 WeakPolarHBondContact O-CB 3.36Å; R266-E375 IonicContact CZ-OE1 3.69Å; R266-E375 VanDerWaalsContact CZ-OE1 3.26Å; R266-E375 IonicContact CZ-OE2 2.64Å; R266-E375 IonicContact NH1-OE1 3.66Å; R266-E375 PolarHBondContact NH1-OE1 2.76Å; R266-E375 IonicContact NH1-OE2 3.76Å; R266-E375 VanDerWaalsContact NH2-CD 3.29Å; R266-E375 IonicContact NH2-OE1 3.13Å; R266-E375 PolarHBondContact NH2-OE1 2.84Å; R266-E375 IonicContact NH2-OE2 3.36Å; R266-E375 PolarHBondContact NH2-OE2 2.98Å
376	G	77.7	Confident	80.2	Confident	32 Å²	32	21.7 Å²	21.7	33%	0.33	14%	0.139	S	C	.	.	S	Bend	trans	-176	-175.2	179.9	0	0	0	0	0	112.8	Y374	Y374-G376 WeakPolarHBondContact CE1-O 3.36Å
377	K	77.4	Confident	79.8	Confident	77 Å²	77	21.9 Å²	21.9	34%	0.335	14%	0.14	S	C	.	.			trans	-106	160.3	173.7	-72.7	-154.4	-178	-173.3	0	110.6	P237 Y374 V379 T381	P237-K377 HydrophobicContact CG-CB 4.44Å; P237-K377 HydrophobicContact CG-CD 3.94Å; P237-K377 HydrophobicContact CG-CG 3.99Å; Y374-K377 PolarHBondContact OH-O 3.42Å; K377-V379 WeakPolarHBondContact CB-O 3.34Å; K377-V379 PolarHBondContact O-N 3.11Å; K377-T381 HydrophobicContact CB-CG2 4.5Å; K377-T381 PolarHBondContact N-OG1 2.82Å; K377-T381 PolarHBondContact O-OG1 3.21Å
378	P	70.6	Confident	79.4	Confident	26 Å²	26	21.2 Å²	21.2	17%	0.169	14%	0.137	C	C	.	.	S	Bend	trans	-63.5	-27.3	171.8	23.9	-33.6	0	0	0	112.6	F387 A405 I409	P378-F387 HydrophobicContact CB-CD1 4.28Å; P378-F387 HydrophobicContact CB-CD2 4.34Å; P378-F387 HydrophobicContact CB-CE1 3.81Å; P378-F387 HydrophobicContact CB-CE2 3.87Å; P378-F387 HydrophobicContact CB-CZ 3.59Å; P378-F387 HydrophobicContact CG-CZ 4.44Å; P378-A405 HydrophobicContact CB-CB 4.2Å; P378-A405 HydrophobicContact CG-CB 4.04Å; P378-I409 HydrophobicContact CB-CD1 4.11Å; P378-I409 HydrophobicContact CB-CG1 4.09Å
379	V	68.9	Low	79.3	Confident	23 Å²	23	23.1 Å²	23.1	14%	0.139	14%	0.144	C	C	.	.	S	Bend	trans	-131.8	143.8	-179.9	-66.2	0	0	0	0	110.4	K377 P384 A408 I409 Q412	K377-V379 WeakPolarHBondContact CB-O 3.34Å; K377-V379 PolarHBondContact O-N 3.11Å; V379-P384 HydrophobicContact CG1-CB 4.2Å; V379-A408 HydrophobicContact CG1-CB 4.45Å; V379-A408 HydrophobicContact CG2-CB 4.37Å; V379-I409 HydrophobicContact CG1-CG1 4.18Å; V379-Q412 HydrophobicContact CG1-CG 4.44Å
380	G	65.3	Low	79	Confident	47 Å²	47	23.1 Å²	23.1	49%	0.485	14%	0.144	S	C	.	.	S	Bend	trans	83.5	9.3	174.6	0	0	0	0	0	115.8
381	T	63.9	Low	78.6	Confident	11 Å²	11	23.2 Å²	23.2	7%	0.067	14%	0.144	C	C	.	.	S	Bend	trans	-135.2	72.5	174	57.6	0	0	0	0	111.9	V146 P237 Y374 K377	V146-T381 HydrophobicContact CG1-CG2 3.76Å; P237-T381 HydrophobicContact CB-CG2 4.4Å; P237-T381 HydrophobicContact CG-CG2 3.67Å; Y374-T381 PolarHBondContact OH-OG1 2.76Å; K377-T381 HydrophobicContact CB-CG2 4.5Å; K377-T381 PolarHBondContact N-OG1 2.82Å; K377-T381 PolarHBondContact O-OG1 3.21Å
382	P	63.3	Low	78.2	Confident	108 Å²	108	25.1 Å²	25.1	70%	0.701	16%	0.158	S	C	*	.	S	Bend	cis	-102.7	-12.2	-4.2	36.2	-31.3	0	0	0	114.7
383	D	71.5	Confident	77.8	Confident	56 Å²	56	29.6 Å²	29.6	30%	0.299	18%	0.179	S	C	.	.			trans	-134.6	166.1	-178.8	64.4	16.6	0	0	0	110.4	G385 A386	D383-G385 PolarHBondContact O-N 3.2Å; D383-G385 VanDerWaalsContact O-N 3.14Å; D383-G385 VanDerWaalsContact OD1-C 3.25Å; D383-G385 VanDerWaalsContact OD1-CA 3.26Å; D383-G385 WeakPolarHBondContact OD1-CA 3.34Å; D383-G385 PolarHBondContact OD1-N 2.89Å; D383-A386 PolarHBondContact O-N 2.91Å; D383-A386 PolarHBondContact OD1-N 3.43Å
384	P	69.8	Low	77.5	Confident	28 Å²	28	31.3 Å²	31.3	18%	0.182	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-1	171.7	27.9	-35.4	0	0	0	113.3	V379 Q412 D413 A418	V379-P384 HydrophobicContact CG1-CB 4.2Å; P384-Q412 HydrophobicContact CB-CB 4.27Å; P384-D413 HydrophobicContact CB-CB 4.39Å; P384-D413 HydrophobicContact CG-CB 4.26Å; P384-A418 HydrophobicContact CG-CB 4.48Å
385	G	73	Confident	77.3	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.3	175.5	0	0	0	0	0	113.9	D383 F387 F388 R389	D383-G385 PolarHBondContact O-N 3.2Å; D383-G385 VanDerWaalsContact O-N 3.14Å; D383-G385 VanDerWaalsContact OD1-C 3.25Å; D383-G385 VanDerWaalsContact OD1-CA 3.26Å; D383-G385 WeakPolarHBondContact OD1-CA 3.34Å; D383-G385 PolarHBondContact OD1-N 2.89Å; G385-F387 VanDerWaalsContact C-N 3.26Å; G385-F387 PolarHBondContact O-N 3.12Å; G385-F388 WeakPolarHBondContact O-CB 3.5Å; G385-F388 PolarHBondContact O-N 3.12Å; G385-R389 PolarHBondContact O-N 2.81Å
386	A	79.2	Confident	77.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-39.8	-173.8	0	0	0	0	0	113.1	D383 R389 V390	D383-A386 PolarHBondContact O-N 2.91Å; D383-A386 PolarHBondContact OD1-N 3.43Å; A386-R389 WeakPolarHBondContact O-CB 3.47Å; A386-R389 PolarHBondContact O-N 3.1Å; A386-V390 WeakPolarHBondContact O-CG2 3.41Å; A386-V390 PolarHBondContact O-N 2.7Å; A386-V390 VanDerWaalsContact O-N 3.12Å
387	F	83	Confident	77.6	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-43.6	176.6	-81.1	14.1	0	0	0	112.1	W346 A348 Y374 P378 G385 R389 V390 L391 M399 A405 I409	W346-F387 HydrophobicContact CH2-CB 3.79Å; W346-F387 AromaticContact CH2-CD1 3.53Å; W346-F387 HydrophobicContact CH2-CD1 3.53Å; W346-F387 AromaticContact CH2-CD2 3.98Å; W346-F387 HydrophobicContact CH2-CD2 3.98Å; W346-F387 AromaticContact CH2-CE1 3.97Å; W346-F387 HydrophobicContact CH2-CE1 3.97Å; W346-F387 HydrophobicContact CH2-CE2 4.39Å; W346-F387 AromaticContact CH2-CG 3.51Å; W346-F387 HydrophobicContact CH2-CG 3.51Å; W346-F387 HydrophobicContact CH2-CZ 4.38Å; W346-F387 AromaticContact CZ2-CD1 3.91Å; W346-F387 HydrophobicContact CZ2-CD1 3.91Å; W346-F387 AromaticContact CZ2-CE1 3.93Å; W346-F387 HydrophobicContact CZ2-CE1 3.93Å; W346-F387 HydrophobicContact CZ2-CG 4.31Å; W346-F387 HydrophobicContact CZ2-CZ 4.37Å; W346-F387 HydrophobicContact CZ3-CB 4.32Å; W346-F387 HydrophobicContact CZ3-CG 4.37Å; A348-F387 HydrophobicContact CB-CE1 4.47Å; A348-F387 HydrophobicContact CB-CE2 4.13Å; A348-F387 HydrophobicContact CB-CZ 3.73Å; Y374-F387 HydrophobicContact CD1-CE1 4.37Å; Y374-F387 AromaticContact CE1-CE1 3.89Å; Y374-F387 HydrophobicContact CE1-CE1 3.89Å; P378-F387 HydrophobicContact CB-CD1 4.28Å; P378-F387 HydrophobicContact CB-CD2 4.34Å; P378-F387 HydrophobicContact CB-CE1 3.81Å; P378-F387 HydrophobicContact CB-CE2 3.87Å; P378-F387 HydrophobicContact CB-CZ 3.59Å; P378-F387 HydrophobicContact CG-CZ 4.44Å; G385-F387 VanDerWaalsContact C-N 3.26Å; G385-F387 PolarHBondContact O-N 3.12Å; F387-R389 VanDerWaalsContact C-N 3.3Å; F387-R389 PolarHBondContact O-N 2.89Å; F387-V390 PolarHBondContact O-N 3.28Å; F387-L391 VanDerWaalsContact O-CG 3.26Å; F387-L391 WeakPolarHBondContact O-CG 3.43Å; F387-L391 PolarHBondContact O-N 2.9Å; F387-M399 HydrophobicContact CD2-CE 3.48Å; F387-M399 VanDerWaalsContact CD2-CE 3.48Å; F387-M399 HydrophobicContact CE2-CE 3.72Å; F387-M399 HydrophobicContact CG-CE 4.23Å; F387-A405 HydrophobicContact CE2-CB 4.19Å; F387-I409 HydrophobicContact CB-CD1 4.38Å; F387-I409 HydrophobicContact CD2-CD1 3.67Å; F387-I409 HydrophobicContact CE2-CD1 4.3Å; F387-I409 HydrophobicContact CG-CD1 4.15Å
388	F	81.4	Confident	78.1	Confident	3 Å²	3	25.8 Å²	25.8	1%	0.013	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-35.1	176.9	-65.5	-86.8	0	0	0	112.3	G385 L391 S392 I409 G419 Y422 L424 F449	G385-F388 WeakPolarHBondContact O-CB 3.5Å; G385-F388 PolarHBondContact O-N 3.12Å; F388-L391 PolarHBondContact O-N 2.85Å; F388-S392 WeakPolarHBondContact O-CB 2.96Å; F388-S392 PolarHBondContact O-N 3.18Å; F388-I409 HydrophobicContact CE2-CG2 4.33Å; F388-G419 VanDerWaalsContact CG-CA 3.48Å; F388-Y422 HydrophobicContact CB-CD2 3.64Å; F388-Y422 HydrophobicContact CB-CE2 4.48Å; F388-Y422 HydrophobicContact CB-CG 4.13Å; F388-L424 HydrophobicContact CD1-CD1 4.1Å; F388-L424 HydrophobicContact CD1-CD2 4.44Å; F388-L424 HydrophobicContact CE1-CD1 4.21Å; F388-F449 HydrophobicContact CD1-CD1 4.45Å; F388-F449 HydrophobicContact CD1-CE1 4.1Å; F388-F449 AromaticContact CE1-CD1 3.72Å; F388-F449 HydrophobicContact CE1-CD1 3.72Å; F388-F449 AromaticContact CE1-CE1 3.45Å; F388-F449 HydrophobicContact CE1-CE1 3.45Å; F388-F449 VanDerWaalsContact CE1-CE1 3.45Å; F388-F449 HydrophobicContact CE1-CG 4.48Å; F388-F449 HydrophobicContact CE1-CZ 4.02Å; F388-F449 HydrophobicContact CE2-CE1 4.35Å; F388-F449 HydrophobicContact CE2-CZ 4.28Å; F388-F449 HydrophobicContact CZ-CD1 4.2Å; F388-F449 AromaticContact CZ-CE1 3.6Å; F388-F449 HydrophobicContact CZ-CE1 3.6Å; F388-F449 HydrophobicContact CZ-CE2 4.31Å; F388-F449 AromaticContact CZ-CZ 3.65Å; F388-F449 HydrophobicContact CZ-CZ 3.65Å
389	R	85.1	Confident	78.9	Confident	40 Å²	40	24.6 Å²	24.6	15%	0.151	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-51.8	172.1	-178	-170.1	63.8	75	-4.8	111.3	D143 G385 A386 F387 L391 S392 E393 Y422	D143-R389 IonicContact OD1-NH2 2.82Å; D143-R389 PolarHBondContact OD1-NH2 3.37Å; D143-R389 IonicContact OD2-CZ 3.58Å; D143-R389 VanDerWaalsContact OD2-CZ 3.28Å; D143-R389 IonicContact OD2-NH1 3.21Å; D143-R389 PolarHBondContact OD2-NH1 2.79Å; D143-R389 IonicContact OD2-NH2 3.39Å; D143-R389 PolarHBondContact OD2-NH2 3.32Å; G385-R389 PolarHBondContact O-N 2.81Å; A386-R389 WeakPolarHBondContact O-CB 3.47Å; A386-R389 PolarHBondContact O-N 3.1Å; F387-R389 VanDerWaalsContact C-N 3.3Å; F387-R389 PolarHBondContact O-N 2.89Å; R389-L391 VanDerWaalsContact C-N 3.3Å; R389-L391 PolarHBondContact O-N 2.85Å; R389-S392 PolarHBondContact O-N 2.82Å; R389-E393 IonicContact NH1-OE2 2.81Å; R389-E393 PolarHBondContact NH1-OE2 2.76Å; R389-E393 VanDerWaalsContact O-CB 3.25Å; R389-E393 WeakPolarHBondContact O-CB 3.44Å; R389-E393 PolarHBondContact O-N 3.31Å; R389-Y422 HydrophobicContact CB-CD1 4.48Å; R389-Y422 HydrophobicContact CB-CE1 3.99Å; R389-Y422 HydrophobicContact CB-CE2 4.36Å; R389-Y422 HydrophobicContact CG-CE1 4.17Å
390	V	84.9	Confident	79.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-42.6	179.4	173.2	0	0	0	0	110.6	W346 I372 Y374 A386 F387 S392 Y394	W346-V390 HydrophobicContact CD2-CG1 3.99Å; W346-V390 HydrophobicContact CE3-CG1 4.11Å; W346-V390 HydrophobicContact CH2-CB 4.09Å; W346-V390 HydrophobicContact CH2-CG1 4.04Å; W346-V390 HydrophobicContact CZ2-CB 4.31Å; W346-V390 HydrophobicContact CZ2-CG1 3.92Å; W346-V390 HydrophobicContact CZ3-CB 4.33Å; W346-V390 HydrophobicContact CZ3-CG1 4.13Å; I372-V390 HydrophobicContact CG2-CG1 4.18Å; Y374-V390 HydrophobicContact CD2-CG2 4.04Å; Y374-V390 HydrophobicContact CE2-CG2 3.96Å; A386-V390 WeakPolarHBondContact O-CG2 3.41Å; A386-V390 PolarHBondContact O-N 2.7Å; A386-V390 VanDerWaalsContact O-N 3.12Å; F387-V390 PolarHBondContact O-N 3.28Å; V390-S392 PolarHBondContact O-N 2.86Å; V390-Y394 HydrophobicContact CB-CD2 4.42Å; V390-Y394 HydrophobicContact CG1-CD2 3.79Å; V390-Y394 HydrophobicContact CG1-CE2 4.22Å; V390-Y394 WeakPolarHBondContact O-CD2 3.29Å; V390-Y394 PolarHBondContact O-N 3.16Å; V390-Y394 VanDerWaalsContact O-N 3.08Å
391	L	84.3	Confident	80.9	Confident	6 Å²	6	21.9 Å²	21.9	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-42.1	176.3	-69.8	171.9	0	0	0	112.6	W346 F387 F388 R389 G395 P396 M399 L424 L427 F449	W346-L391 HydrophobicContact CE3-CD2 3.63Å; W346-L391 HydrophobicContact CE3-CG 4.16Å; W346-L391 HydrophobicContact CZ3-CD1 4.44Å; W346-L391 HydrophobicContact CZ3-CD2 3.72Å; W346-L391 HydrophobicContact CZ3-CG 3.73Å; F387-L391 VanDerWaalsContact O-CG 3.26Å; F387-L391 WeakPolarHBondContact O-CG 3.43Å; F387-L391 PolarHBondContact O-N 2.9Å; F388-L391 PolarHBondContact O-N 2.85Å; R389-L391 VanDerWaalsContact C-N 3.3Å; R389-L391 PolarHBondContact O-N 2.85Å; L391-G395 VanDerWaalsContact O-CA 3.23Å; L391-G395 WeakPolarHBondContact O-CA 3.4Å; L391-G395 PolarHBondContact O-N 2.85Å; L391-P396 HydrophobicContact CD2-CG 3.48Å; L391-P396 VanDerWaalsContact CD2-CG 3.48Å; L391-P396 WeakPolarHBondContact O-CD 3.34Å; L391-M399 HydrophobicContact CD1-SD 4.07Å; L391-M399 HydrophobicContact CD2-CB 4.26Å; L391-M399 HydrophobicContact CD2-CG 4.48Å; L391-M399 HydrophobicContact CD2-SD 3.85Å; L391-M399 HydrophobicContact CG-SD 4.31Å; L391-L424 HydrophobicContact CB-CD2 3.48Å; L391-L424 VanDerWaalsContact CB-CD2 3.48Å; L391-L424 HydrophobicContact CD1-CD2 3.86Å; L391-L424 HydrophobicContact CG-CD2 4.29Å; L391-L427 HydrophobicContact CD1-CD2 4.27Å; L391-L427 HydrophobicContact CD2-CD1 4.14Å; L391-L427 HydrophobicContact CD2-CD2 4.39Å; L391-F449 HydrophobicContact CD1-CD1 4.06Å; L391-F449 HydrophobicContact CD1-CE1 3.8Å
392	S	84.8	Confident	81.8	Confident	41 Å²	41	23 Å²	23	29%	0.287	13%	0.132	S	C	.	.	H	α-helix	trans	-76.2	-37	-178.3	-171.1	0	0	0	0	112.6	F388 R389 V390 P423	F388-S392 WeakPolarHBondContact O-CB 2.96Å; F388-S392 PolarHBondContact O-N 3.18Å; R389-S392 PolarHBondContact O-N 2.82Å; V390-S392 PolarHBondContact O-N 2.86Å; S392-P423 WeakPolarHBondContact OG-CD 3.44Å; S392-P423 PolarHBondContact OG-O 3.21Å
393	E	86	Confident	82.5	Confident	93 Å²	93	17.9 Å²	17.9	44%	0.435	10%	0.099	S	C	.	.	H	α-helix	trans	-74.5	-44.9	-176.6	-173.1	173.3	172.4	0	0	112.7	K150 R389	K150-E393 WeakPolarHBondContact CE-OE1 3.35Å; K150-E393 IonicContact NZ-OE1 3.7Å; K150-E393 PolarHBondContact NZ-OE1 2.89Å; K150-E393 IonicContact NZ-OE2 3.52Å; K150-E393 PolarHBondContact NZ-OE2 3.02Å; R389-E393 IonicContact NH1-OE2 2.81Å; R389-E393 PolarHBondContact NH1-OE2 2.76Å; R389-E393 VanDerWaalsContact O-CB 3.25Å; R389-E393 WeakPolarHBondContact O-CB 3.44Å; R389-E393 PolarHBondContact O-N 3.31Å
394	Y	84.7	Confident	82.6	Confident	36 Å²	36	16.8 Å²	16.8	14%	0.141	9%	0.094	C	C	.	.	H	α-helix	trans	-99.9	-15.4	-176.1	-56	-64.2	0	0	0	113.5	I141 D143 K150 I372 V390	I141-Y394 HydrophobicContact CD1-CD1 4.45Å; I141-Y394 HydrophobicContact CG2-CD1 3.54Å; I141-Y394 HydrophobicContact CG2-CD2 4.4Å; I141-Y394 HydrophobicContact CG2-CE1 3.41Å; I141-Y394 VanDerWaalsContact CG2-CE1 3.41Å; I141-Y394 HydrophobicContact CG2-CE2 4.29Å; I141-Y394 HydrophobicContact CG2-CG 4.04Å; D143-Y394 HydrophobicContact CB-CE2 3.97Å; D143-Y394 WeakPolarHBondContact OD2-CE2 3.47Å; D143-Y394 PolarHBondContact OD2-OH 2.77Å; K150-Y394 WeakPolarHBondContact CD-OH 3.41Å; I372-Y394 HydrophobicContact CD1-CD2 4.28Å; I372-Y394 HydrophobicContact CD1-CG 4.24Å; V390-Y394 HydrophobicContact CB-CD2 4.42Å; V390-Y394 HydrophobicContact CG1-CD2 3.79Å; V390-Y394 HydrophobicContact CG1-CE2 4.22Å; V390-Y394 WeakPolarHBondContact O-CD2 3.29Å; V390-Y394 PolarHBondContact O-N 3.16Å; V390-Y394 VanDerWaalsContact O-N 3.08Å
395	G	83.4	Confident	82.9	Confident	8 Å²	8	16.2 Å²	16.2	8%	0.082	9%	0.092	C	C	.	.			trans	57	50.8	176	0	0	0	0	0	115.1	L391	L391-G395 VanDerWaalsContact O-CA 3.23Å; L391-G395 WeakPolarHBondContact O-CA 3.4Å; L391-G395 PolarHBondContact O-N 2.85Å
396	P	84.8	Confident	83.2	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.092	C	C	.	.			trans	-63.1	138.8	177.5	29	-33.3	0	0	0	111.5	V344 W346 I372 L391 S398 L427	V344-P396 HydrophobicContact CB-CB 4.49Å; V344-P396 HydrophobicContact CG1-CB 4.12Å; V344-P396 CarbonylContact O-C 3.47Å; V344-P396 VanDerWaalsContact O-CA 3.29Å; V344-P396 WeakPolarHBondContact O-CA 3.34Å; V344-P396 WeakPolarHBondContact O-CB 3.42Å; W346-P396 HydrophobicContact CB-CB 4.09Å; W346-P396 HydrophobicContact CB-CG 4.27Å; I372-P396 HydrophobicContact CD1-CB 4.26Å; I372-P396 HydrophobicContact CD1-CG 4.41Å; L391-P396 HydrophobicContact CD2-CG 3.48Å; L391-P396 VanDerWaalsContact CD2-CG 3.48Å; L391-P396 WeakPolarHBondContact O-CD 3.34Å; P396-S398 VanDerWaalsContact C-N 3.34Å; P396-L427 WeakPolarHBondContact O-CA 3.48Å
397	S	85.1	Confident	83.2	Confident	8 Å²	8	18.1 Å²	18.1	6%	0.056	10%	0.099	C	C	.	.	S	Bend	trans	-69.6	-36.4	177.7	-57.5	0	0	0	0	111	V344 Q428	V344-S397 PolarHBondContact O-N 3.38Å; S397-Q428 WeakPolarHBondContact O-CB 3.32Å; S397-Q428 PolarHBondContact O-N 3.17Å
398	S	86.8	Confident	82.8	Confident	1 Å²	1	19 Å²	19	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.3	179.1	-53.1	0	0	0	0	110.5	W345 W346 P396 T429	W345-S398 VanDerWaalsContact CZ3-CB 3.41Å; W346-S398 PolarHBondContact N-O 2.93Å; P396-S398 VanDerWaalsContact C-N 3.34Å; S398-T429 WeakPolarHBondContact CA-O 3.32Å; S398-T429 VanDerWaalsContact CB-OG1 3.26Å; S398-T429 WeakPolarHBondContact CB-OG1 3.45Å; S398-T429 PolarHBondContact OG-OG1 3.13Å
399	M	88.9	Confident	82.7	Confident	1 Å²	1	19 Å²	19	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.2	179	177	-178.4	-179.9	0	0	110.4	W346 A348 F387 L391 T401 L427 T429 L430 F431	W346-M399 HydrophobicContact CD2-CE 4.47Å; W346-M399 HydrophobicContact CD2-CG 4.35Å; W346-M399 HydrophobicContact CE3-CB 4.37Å; W346-M399 HydrophobicContact CE3-CE 3.74Å; W346-M399 HydrophobicContact CE3-CG 3.65Å; W346-M399 HydrophobicContact CE3-SD 3.59Å; W346-M399 VanDerWaalsContact CE3-SD 3.59Å; W346-M399 HydrophobicContact CH2-CE 3.52Å; W346-M399 HydrophobicContact CH2-SD 4.29Å; W346-M399 HydrophobicContact CZ2-CE 4.29Å; W346-M399 HydrophobicContact CZ3-CE 3.19Å; W346-M399 HydrophobicContact CZ3-CG 4.06Å; W346-M399 HydrophobicContact CZ3-SD 3.36Å; W346-M399 WeakPolarHBondContact CZ3-SD 3.24Å; W346-M399 CarbonylContact O-C 3.5Å; W346-M399 WeakPolarHBondContact O-CA 3.44Å; A348-M399 HydrophobicContact CB-CE 4.37Å; F387-M399 HydrophobicContact CD2-CE 3.48Å; F387-M399 VanDerWaalsContact CD2-CE 3.48Å; F387-M399 HydrophobicContact CE2-CE 3.72Å; F387-M399 HydrophobicContact CG-CE 4.23Å; L391-M399 HydrophobicContact CD1-SD 4.07Å; L391-M399 HydrophobicContact CD2-CB 4.26Å; L391-M399 HydrophobicContact CD2-CG 4.48Å; L391-M399 HydrophobicContact CD2-SD 3.85Å; L391-M399 HydrophobicContact CG-SD 4.31Å; M399-T401 HydrophobicContact CE-CG2 4.2Å; M399-L427 HydrophobicContact CB-CD1 3.98Å; M399-T429 PolarHBondContact N-O 2.84Å; M399-L430 HydrophobicContact CB-CD1 3.75Å; M399-L430 HydrophobicContact CG-CD1 3.64Å; M399-L430 CarbonylContact O-C 3.57Å; M399-L430 HydrophobicContact SD-CD1 3.68Å; M399-F431 PolarHBondContact O-N 3.06Å
400	F	89.1	Confident	82.3	Confident	5 Å²	5	19.5 Å²	19.5	2%	0.022	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	173.3	-179.8	30.3	0	0	0	111	W345 W346 A347 A348 V355 Y359 F431 A433 H456 W458	W345-F400 HydrophobicContact CH2-CB 3.6Å; W345-F400 HydrophobicContact CH2-CG 4.42Å; W345-F400 HydrophobicContact CZ2-CB 3.48Å; W345-F400 VanDerWaalsContact CZ2-CB 3.48Å; W345-F400 HydrophobicContact CZ2-CD2 4.09Å; W345-F400 HydrophobicContact CZ2-CG 4.18Å; W346-F400 PolarHBondContact O-N 3.13Å; A347-F400 CarbonylContact C-O 3.56Å; A347-F400 WeakPolarHBondContact CA-O 3.16Å; A347-F400 HydrophobicContact CB-CB 4.11Å; A347-F400 HydrophobicContact CB-CD2 4.03Å; A347-F400 HydrophobicContact CB-CG 4.5Å; A348-F400 PolarHBondContact N-O 2.99Å; V355-F400 HydrophobicContact CB-CE2 4.46Å; V355-F400 HydrophobicContact CG1-CD2 3.88Å; V355-F400 HydrophobicContact CG1-CE2 3.4Å; V355-F400 HydrophobicContact CG1-CZ 4.09Å; V355-F400 HydrophobicContact CG2-CE2 4.44Å; Y359-F400 HydrophobicContact CD2-CD2 4.25Å; Y359-F400 AromaticContact CD2-CE2 3.69Å; Y359-F400 HydrophobicContact CD2-CE2 3.69Å; Y359-F400 HydrophobicContact CE2-CE2 4.31Å; Y359-F400 HydrophobicContact CG-CD2 4.39Å; Y359-F400 HydrophobicContact CG-CE2 4.28Å; F400-F431 WeakPolarHBondContact CA-O 3.49Å; F400-F431 HydrophobicContact CB-CB 4.37Å; F400-F431 HydrophobicContact CD1-CB 3.88Å; F400-F431 WeakPolarHBondContact CD1-O 3.31Å; F400-F431 HydrophobicContact CG-CB 4.43Å; F400-A433 HydrophobicContact CE1-CB 3.4Å; F400-A433 VanDerWaalsContact CE1-CB 3.4Å; F400-A433 HydrophobicContact CZ-CB 3.54Å; F400-H456 AromaticContact CD1-CE1 3.67Å; F400-H456 AromaticContact CE1-CE1 3.16Å; F400-H456 WeakPolarHBondContact CE1-CE1 3.27Å; F400-H456 AromaticContact CE1-NE2 3.57Å; F400-H456 AromaticContact CZ-CE1 3.55Å; F400-H456 AromaticContact CZ-NE2 3.42Å; F400-H456 WeakPolarHBondContact CZ-NE2 3.25Å; F400-W458 HydrophobicContact CE2-CZ2 4.17Å; F400-W458 HydrophobicContact CZ-CZ2 4.1Å
401	T	85.7	Confident	81.8	Confident	8 Å²	8	25.8 Å²	25.8	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	171.2	-179.3	-163.1	0	0	0	0	112.4	M399 I406 L430 F431 L432 A433	M399-T401 HydrophobicContact CE-CG2 4.2Å; T401-I406 HydrophobicContact CG2-CD1 3.83Å; T401-I406 HydrophobicContact CG2-CG1 3.89Å; T401-L430 HydrophobicContact CG2-CD1 4.05Å; T401-F431 PolarHBondContact N-O 3.09Å; T401-L432 HydrophobicContact CG2-CD2 3.56Å; T401-L432 WeakPolarHBondContact O-CA 3.5Å; T401-A433 PolarHBondContact O-N 3.49Å
402	A	82.3	Confident	81.1	Confident	34 Å²	34	30.8 Å²	30.8	28%	0.281	16%	0.162	S	C	.	.			trans	-92	141.6	173.9	0	0	0	0	0	110.8	T404 A405 I406	A402-T404 PolarHBondContact O-N 3.15Å; A402-T404 VanDerWaalsContact O-N 3.13Å; A402-A405 WeakPolarHBondContact O-CB 3.13Å; A402-A405 PolarHBondContact O-N 2.96Å; A402-I406 PolarHBondContact O-N 3.22Å
403	P	79	Confident	80.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-48.6	-36.2	172.6	-29.8	33.5	0	0	0	114.5	A405 I406 R407 L432 A433 E435 C437	P403-A405 VanDerWaalsContact C-N 3.32Å; P403-A405 PolarHBondContact O-N 2.81Å; P403-I406 WeakPolarHBondContact O-CB 3.36Å; P403-I406 PolarHBondContact O-N 3.32Å; P403-I406 VanDerWaalsContact O-N 3.13Å; P403-R407 PolarHBondContact O-N 2.64Å; P403-L432 HydrophobicContact CG-CB 4.14Å; P403-L432 HydrophobicContact CG-CD1 4.43Å; P403-A433 WeakPolarHBondContact CD-O 3.23Å; P403-E435 HydrophobicContact CB-CG 3.72Å; P403-E435 HydrophobicContact CG-CG 3.54Å; P403-C437 HydrophobicContact CG-CB 4.1Å
404	T	73	Confident	79.4	Confident	34 Å²	34	29.7 Å²	29.7	21%	0.209	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-39.8	176.7	-71.4	0	0	0	0	112.3	A402 I406 R407 A408 E435	A402-T404 PolarHBondContact O-N 3.15Å; A402-T404 VanDerWaalsContact O-N 3.13Å; T404-I406 VanDerWaalsContact C-N 3.29Å; T404-I406 PolarHBondContact O-N 3.36Å; T404-R407 PolarHBondContact O-N 3.36Å; T404-R407 PolarHBondContact OG1-NH2 3.06Å; T404-A408 WeakPolarHBondContact O-CB 3.29Å; T404-A408 PolarHBondContact O-N 3.4Å; T404-E435 WeakPolarHBondContact CA-OE1 3.47Å; T404-E435 WeakPolarHBondContact CB-OE1 3.42Å; T404-E435 PolarHBondContact N-OE1 2.88Å; T404-E435 VanDerWaalsContact OG1-CD 3.23Å; T404-E435 PolarHBondContact OG1-OE1 2.93Å; T404-E435 PolarHBondContact OG1-OE2 2.96Å
405	A	77.1	Confident	78.4	Confident	15 Å²	15	30 Å²	30	12%	0.124	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-40.6	177.2	0	0	0	0	0	110.6	P378 F387 A402 P403 A408 I409	P378-A405 HydrophobicContact CB-CB 4.2Å; P378-A405 HydrophobicContact CG-CB 4.04Å; F387-A405 HydrophobicContact CE2-CB 4.19Å; A402-A405 WeakPolarHBondContact O-CB 3.13Å; A402-A405 PolarHBondContact O-N 2.96Å; P403-A405 VanDerWaalsContact C-N 3.32Å; P403-A405 PolarHBondContact O-N 2.81Å; A405-A408 PolarHBondContact O-N 3.13Å; A405-I409 VanDerWaalsContact O-CG1 3.31Å; A405-I409 WeakPolarHBondContact O-CG1 3.29Å; A405-I409 PolarHBondContact O-N 3.06Å; A405-I409 VanDerWaalsContact O-N 3.08Å
406	I	79.8	Confident	77.6	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-43.3	175.3	-60.9	-171.3	0	0	0	111.2	T401 A402 P403 T404 A408 I409 R410 L430 L432 T441 W444 A445	T401-I406 HydrophobicContact CG2-CD1 3.83Å; T401-I406 HydrophobicContact CG2-CG1 3.89Å; A402-I406 PolarHBondContact O-N 3.22Å; P403-I406 WeakPolarHBondContact O-CB 3.36Å; P403-I406 PolarHBondContact O-N 3.32Å; P403-I406 VanDerWaalsContact O-N 3.13Å; T404-I406 VanDerWaalsContact C-N 3.29Å; T404-I406 PolarHBondContact O-N 3.36Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 3.01Å; I406-I409 PolarHBondContact O-N 3.36Å; I406-R410 WeakPolarHBondContact O-CB 3.41Å; I406-R410 PolarHBondContact O-N 3.1Å; I406-L430 HydrophobicContact CD1-CD2 3.96Å; I406-L432 HydrophobicContact CD1-CD1 4.29Å; I406-L432 HydrophobicContact CD1-CD2 3.37Å; I406-L432 HydrophobicContact CD1-CG 4.45Å; I406-L432 HydrophobicContact CG1-CD2 4.38Å; I406-T441 HydrophobicContact CB-CG2 4.07Å; I406-T441 HydrophobicContact CG2-CG2 3.65Å; I406-W444 HydrophobicContact CG2-CE3 3.73Å; I406-W444 HydrophobicContact CG2-CZ3 3.69Å; I406-A445 HydrophobicContact CD1-CB 4.18Å; I406-A445 HydrophobicContact CG2-CB 4.24Å
407	R	78.1	Confident	76.7	Confident	39 Å²	39	33 Å²	33	15%	0.147	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-40.9	175.4	-72.6	-170	-62.3	-114.2	-1.2	112.1	P403 T404 R410 Q411 E435 D438 T441	P403-R407 PolarHBondContact O-N 2.64Å; T404-R407 PolarHBondContact O-N 3.36Å; T404-R407 PolarHBondContact OG1-NH2 3.06Å; R407-R410 PolarHBondContact O-N 2.95Å; R407-Q411 WeakPolarHBondContact O-CG 3.23Å; R407-Q411 PolarHBondContact O-N 3.08Å; R407-E435 IonicContact CZ-OE2 3.33Å; R407-E435 IonicContact NH1-OE2 2.74Å; R407-E435 IonicContact NH2-OE1 3.03Å; R407-E435 PolarHBondContact NH2-OE1 3.36Å; R407-E435 IonicContact NH2-OE2 2.8Å; R407-E435 PolarHBondContact NH2-OE2 3.31Å; R407-D438 IonicContact CZ-OD2 3.28Å; R407-D438 IonicContact NH1-OD2 2.65Å; R407-D438 PolarHBondContact NH1-OD2 2.95Å; R407-T441 HydrophobicContact CG-CG2 3.92Å; R407-T441 WeakPolarHBondContact CG-OG1 3.32Å
408	A	74.8	Confident	75.7	Confident	25 Å²	25	33.3 Å²	33.3	21%	0.207	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-42.4	176.3	0	0	0	0	0	112	V379 T404 A405 I406 Q411 Q412	V379-A408 HydrophobicContact CG1-CB 4.45Å; V379-A408 HydrophobicContact CG2-CB 4.37Å; T404-A408 WeakPolarHBondContact O-CB 3.29Å; T404-A408 PolarHBondContact O-N 3.4Å; A405-A408 PolarHBondContact O-N 3.13Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 3.01Å; A408-Q411 PolarHBondContact O-N 3.27Å; A408-Q412 PolarHBondContact O-N 3.49Å
409	I	78.1	Confident	74.6	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-47.4	174.2	-65.1	165.1	0	0	0	110	P378 V379 F387 F388 A405 I406 Q411 Q412 D413 W444	P378-I409 HydrophobicContact CB-CD1 4.11Å; P378-I409 HydrophobicContact CB-CG1 4.09Å; V379-I409 HydrophobicContact CG1-CG1 4.18Å; F387-I409 HydrophobicContact CB-CD1 4.38Å; F387-I409 HydrophobicContact CD2-CD1 3.67Å; F387-I409 HydrophobicContact CE2-CD1 4.3Å; F387-I409 HydrophobicContact CG-CD1 4.15Å; F388-I409 HydrophobicContact CE2-CG2 4.33Å; A405-I409 VanDerWaalsContact O-CG1 3.31Å; A405-I409 WeakPolarHBondContact O-CG1 3.29Å; A405-I409 PolarHBondContact O-N 3.06Å; A405-I409 VanDerWaalsContact O-N 3.08Å; I406-I409 PolarHBondContact O-N 3.36Å; I409-Q411 VanDerWaalsContact C-N 3.32Å; I409-Q411 PolarHBondContact O-N 3.46Å; I409-Q412 PolarHBondContact O-N 2.93Å; I409-D413 PolarHBondContact O-N 3.36Å; I409-W444 HydrophobicContact CB-CH2 4.48Å; I409-W444 HydrophobicContact CG2-CH2 3.82Å
410	R	77.8	Confident	73.7	Confident	50 Å²	50	43 Å²	43	19%	0.189	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-37.6	179.4	177.1	179.3	167.6	-143.8	-14.7	113.1	I406 R407 Q412 D413 P414 E440 W444	I406-R410 WeakPolarHBondContact O-CB 3.41Å; I406-R410 PolarHBondContact O-N 3.1Å; R407-R410 PolarHBondContact O-N 2.95Å; R410-Q412 VanDerWaalsContact C-N 3.34Å; R410-D413 CarbonylContact O-C 3.56Å; R410-P414 WeakPolarHBondContact O-CA 3.36Å; R410-P414 WeakPolarHBondContact O-CG 3.2Å; R410-E440 VanDerWaalsContact CZ-CD 3.4Å; R410-E440 IonicContact CZ-OE1 2.75Å; R410-E440 IonicContact CZ-OE2 3.64Å; R410-E440 IonicContact NH1-OE1 3.39Å; R410-E440 IonicContact NH1-OE2 3.81Å; R410-E440 PolarHBondContact NH1-OE2 2.68Å; R410-E440 IonicContact NH2-OE1 2.62Å; R410-E440 PolarHBondContact NH2-OE1 2.98Å; R410-E440 IonicContact NH2-OE2 3.15Å; R410-E440 PolarHBondContact NH2-OE2 3.33Å; R410-W444 HydrophobicContact CB-CD2 4.04Å; R410-W444 HydrophobicContact CB-CE3 4.31Å; R410-W444 HydrophobicContact CB-CH2 4.24Å; R410-W444 HydrophobicContact CB-CZ2 3.91Å; R410-W444 HydrophobicContact CB-CZ3 4.42Å; R410-W444 HydrophobicContact CG-CD2 4.01Å; R410-W444 HydrophobicContact CG-CG 4.16Å; R410-W444 HydrophobicContact CG-CZ2 4.3Å
411	Q	73.9	Confident	73	Confident	132 Å²	132	50.5 Å²	50.5	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-35.5	177.7	-79.1	-178.8	-2.7	0	0	112.5	R407 A408 I409	R407-Q411 WeakPolarHBondContact O-CG 3.23Å; R407-Q411 PolarHBondContact O-N 3.08Å; A408-Q411 PolarHBondContact O-N 3.27Å; I409-Q411 VanDerWaalsContact C-N 3.32Å; I409-Q411 PolarHBondContact O-N 3.46Å
412	Q	70.7	Confident	72.5	Confident	112 Å²	112	53.3 Å²	53.3	52%	0.523	28%	0.283	S	S	.	.	H	α-helix	trans	-89.7	-31.9	-178.8	-65.4	-169.8	8.5	0	0	113.2	V379 P384 A408 I409 R410	V379-Q412 HydrophobicContact CG1-CG 4.44Å; P384-Q412 HydrophobicContact CB-CB 4.27Å; A408-Q412 PolarHBondContact O-N 3.49Å; I409-Q412 PolarHBondContact O-N 2.93Å; R410-Q412 VanDerWaalsContact C-N 3.34Å
413	D	69.1	Low	72.2	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.102	30%	0.296	C	S	.	.			trans	-134.1	76.7	178.4	-171	5.9	0	0	0	111.4	P384 I409 R410 G415 A416 A417 A418	P384-D413 HydrophobicContact CB-CB 4.39Å; P384-D413 HydrophobicContact CG-CB 4.26Å; I409-D413 PolarHBondContact O-N 3.36Å; R410-D413 CarbonylContact O-C 3.56Å; D413-G415 PolarHBondContact O-N 3.48Å; D413-A416 VanDerWaalsContact CG-CA 3.47Å; D413-A416 PolarHBondContact O-N 3.42Å; D413-A416 WeakPolarHBondContact OD1-CA 3.39Å; D413-A416 PolarHBondContact OD1-N 2.95Å; D413-A416 VanDerWaalsContact OD2-CA 3.23Å; D413-A416 WeakPolarHBondContact OD2-CA 3.42Å; D413-A417 VanDerWaalsContact CG-N 3.33Å; D413-A417 PolarHBondContact OD1-N 3.11Å; D413-A417 PolarHBondContact OD2-N 3.44Å; D413-A418 WeakPolarHBondContact OD2-CB 2.92Å; D413-A418 PolarHBondContact OD2-N 2.88Å
414	P	65.9	Low	72.1	Confident	91 Å²	91	57.9 Å²	57.9	59%	0.591	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.4	-179.9	-22.8	32.4	0	0	0	113.4	R410 W444	R410-P414 WeakPolarHBondContact O-CA 3.36Å; R410-P414 WeakPolarHBondContact O-CG 3.2Å; P414-W444 PolarHBondContact O-NE1 3.35Å; P414-W444 VanDerWaalsContact O-NE1 3.11Å
415	G	63	Low	72.1	Confident	44 Å²	44	62.2 Å²	62.2	45%	0.454	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.1	-177.8	0	0	0	0	0	115.1	D413 A417	D413-G415 PolarHBondContact O-N 3.48Å; G415-A417 PolarHBondContact O-N 2.87Å
416	A	67.5	Low	72.2	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.033	36%	0.357	C	S	.	.			trans	49.8	36.9	-172.7	0	0	0	0	0	113.3	D413 A418 G419 R420 N448	D413-A416 VanDerWaalsContact CG-CA 3.47Å; D413-A416 PolarHBondContact O-N 3.42Å; D413-A416 WeakPolarHBondContact OD1-CA 3.39Å; D413-A416 PolarHBondContact OD1-N 2.95Å; D413-A416 VanDerWaalsContact OD2-CA 3.23Å; D413-A416 WeakPolarHBondContact OD2-CA 3.42Å; A416-A418 VanDerWaalsContact C-N 3.27Å; A416-A418 PolarHBondContact O-N 3.35Å; A416-G419 PolarHBondContact O-N 3.36Å; A416-G419 VanDerWaalsContact O-N 3.17Å; A416-R420 WeakPolarHBondContact O-CG 3.42Å; A416-R420 PolarHBondContact O-N 3.47Å; A416-N448 HydrophobicContact CB-CB 4.17Å
417	A	64.8	Low	72.3	Confident	66 Å²	66	69.9 Å²	69.9	55%	0.545	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.8	-179.5	0	0	0	0	0	112.2	D413 G415	D413-A417 VanDerWaalsContact CG-N 3.33Å; D413-A417 PolarHBondContact OD1-N 3.11Å; D413-A417 PolarHBondContact OD2-N 3.44Å; G415-A417 PolarHBondContact O-N 2.87Å
418	A	65	Low	72.5	Confident	16 Å²	16	73.8 Å²	73.8	13%	0.132	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-36.5	172.8	0	0	0	0	0	111.6	P384 D413 A416 K421 Y422	P384-A418 HydrophobicContact CG-CB 4.48Å; D413-A418 WeakPolarHBondContact OD2-CB 2.92Å; D413-A418 PolarHBondContact OD2-N 2.88Å; A416-A418 VanDerWaalsContact C-N 3.27Å; A416-A418 PolarHBondContact O-N 3.35Å; A418-K421 PolarHBondContact O-N 3.31Å; A418-Y422 WeakPolarHBondContact O-CD2 3.45Å
419	G	63.3	Low	72.9	Confident	5 Å²	5	72.9 Å²	72.9	5%	0.052	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-68.3	-38.6	179.7	0	0	0	0	0	113.9	F388 A416 K421 Y422	F388-G419 VanDerWaalsContact CG-CA 3.48Å; A416-G419 PolarHBondContact O-N 3.36Å; A416-G419 VanDerWaalsContact O-N 3.17Å; G419-K421 PolarHBondContact O-N 2.95Å; G419-K421 VanDerWaalsContact O-N 3.08Å; G419-Y422 PolarHBondContact O-N 3.42Å; G419-Y422 VanDerWaalsContact O-N 3.08Å
420	R	69.6	Low	73.3	Confident	199 Å²	199	72.8 Å²	72.8	75%	0.751	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-62.2	-16.9	178.5	-75.2	-179.4	-172.6	-176.8	3.6	114.6	A416 Y422	A416-R420 WeakPolarHBondContact O-CG 3.42Å; A416-R420 PolarHBondContact O-N 3.47Å; R420-Y422 PolarHBondContact O-N 3.4Å
421	K	73.7	Confident	73.8	Confident	164 Å²	164	70.4 Å²	70.4	71%	0.713	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-70.4	-18.8	176.5	-62.8	179.5	-178.2	178.1	0	112.5	A418 G419	A418-K421 PolarHBondContact O-N 3.31Å; G419-K421 PolarHBondContact O-N 2.95Å; G419-K421 VanDerWaalsContact O-N 3.08Å
422	Y	75.9	Confident	74.2	Confident	66 Å²	66	64.1 Å²	64.1	26%	0.259	33%	0.334	S	S	.	.	S	Bend	trans	-113.8	117.1	-172.2	-62.4	-73	0	0	0	110.6	F388 R389 A418 G419 R420 L424	F388-Y422 HydrophobicContact CB-CD2 3.64Å; F388-Y422 HydrophobicContact CB-CE2 4.48Å; F388-Y422 HydrophobicContact CB-CG 4.13Å; R389-Y422 HydrophobicContact CB-CD1 4.48Å; R389-Y422 HydrophobicContact CB-CE1 3.99Å; R389-Y422 HydrophobicContact CB-CE2 4.36Å; R389-Y422 HydrophobicContact CG-CE1 4.17Å; A418-Y422 WeakPolarHBondContact O-CD2 3.45Å; G419-Y422 PolarHBondContact O-N 3.42Å; G419-Y422 VanDerWaalsContact O-N 3.08Å; R420-Y422 PolarHBondContact O-N 3.4Å; Y422-L424 PolarHBondContact O-N 2.88Å
423	P	75.6	Confident	74.5	Confident	84 Å²	84	59 Å²	59	55%	0.545	31%	0.311	S	S	.	.			trans	-72.3	126.8	177.8	28.5	-33.3	0	0	0	110.9	S392 T425	S392-P423 WeakPolarHBondContact OG-CD 3.44Å; S392-P423 PolarHBondContact OG-O 3.21Å; P423-T425 HydrophobicContact CB-CG2 4.37Å
424	L	77.8	Confident	74.5	Confident	46 Å²	46	61.3 Å²	61.3	24%	0.241	34%	0.339	C	S	.	.			trans	-100.3	75.6	177	-58.5	180	0	0	0	110	F388 L391 Y422 F449	F388-L424 HydrophobicContact CD1-CD1 4.1Å; F388-L424 HydrophobicContact CD1-CD2 4.44Å; F388-L424 HydrophobicContact CE1-CD1 4.21Å; L391-L424 HydrophobicContact CB-CD2 3.48Å; L391-L424 VanDerWaalsContact CB-CD2 3.48Å; L391-L424 HydrophobicContact CD1-CD2 3.86Å; L391-L424 HydrophobicContact CG-CD2 4.29Å; Y422-L424 PolarHBondContact O-N 2.88Å; L424-F449 HydrophobicContact CD1-CD1 4Å
425	T	72.4	Confident	74.8	Confident	126 Å²	126	59.1 Å²	59.1	77%	0.773	32%	0.321	S	S	*	.	S	Bend	trans	-89.3	-20.1	-173.8	50.9	0	0	0	0	114.3	P423	P423-T425 HydrophobicContact CB-CG2 4.37Å
426	R	79.7	Confident	75.1	Confident	161 Å²	161	59.9 Å²	59.9	61%	0.608	31%	0.31	S	S	*	.	S	Bend	trans	-112.6	-14	-172.1	-61.6	-177.2	72.1	150	4.7	114.4	Q428	R426-Q428 PolarHBondContact O-N 2.88Å
427	L	81.9	Confident	75.1	Confident	16 Å²	16	59.9 Å²	59.9	8%	0.084	31%	0.309	C	S	.	.			trans	-71.1	123.8	178.7	-174.2	67.7	0	0	0	109.2	L391 P396 M399 F449 V451	L391-L427 HydrophobicContact CD1-CD2 4.27Å; L391-L427 HydrophobicContact CD2-CD1 4.14Å; L391-L427 HydrophobicContact CD2-CD2 4.39Å; P396-L427 WeakPolarHBondContact O-CA 3.48Å; M399-L427 HydrophobicContact CB-CD1 3.98Å; L427-F449 HydrophobicContact CD2-CD1 4.42Å; L427-V451 HydrophobicContact CB-CG1 4.33Å; L427-V451 HydrophobicContact CD2-CG1 4.17Å; L427-V451 HydrophobicContact CD2-CG2 3.83Å; L427-V451 HydrophobicContact CG-CG1 4.05Å; L427-V451 HydrophobicContact CG-CG2 4.21Å; L427-V451 VanDerWaalsContact O-CG1 3.27Å; L427-V451 WeakPolarHBondContact O-CG1 3.22Å
428	Q	81.9	Confident	75.4	Confident	121 Å²	121	58.4 Å²	58.4	57%	0.565	29%	0.292	S	S	*	.			trans	-102	-38.3	177.8	-60.9	-178	-3.1	0	0	111.2	S397 R426 P452	S397-Q428 WeakPolarHBondContact O-CB 3.32Å; S397-Q428 PolarHBondContact O-N 3.17Å; R426-Q428 PolarHBondContact O-N 2.88Å; Q428-P452 WeakPolarHBondContact O-CD 3.38Å
429	T	83.3	Confident	75.8	Confident	7 Å²	7	60 Å²	60	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144	-168.7	64.9	0	0	0	0	112.3	S398 M399 F431 I472	S398-T429 WeakPolarHBondContact CA-O 3.32Å; S398-T429 VanDerWaalsContact CB-OG1 3.26Å; S398-T429 WeakPolarHBondContact CB-OG1 3.45Å; S398-T429 PolarHBondContact OG-OG1 3.13Å; M399-T429 PolarHBondContact N-O 2.84Å; T429-F431 VanDerWaalsContact OG1-CE2 3.24Å; T429-F431 WeakPolarHBondContact OG1-CE2 3.13Å; T429-I472 HydrophobicContact CG2-CD1 3.28Å
430	L	86.8	Confident	76.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.5	174.6	179.9	64.7	0	0	0	109.4	M399 T401 I406 L432 A445 F449 V451 P452 V453 L454	M399-L430 HydrophobicContact CB-CD1 3.75Å; M399-L430 HydrophobicContact CG-CD1 3.64Å; M399-L430 CarbonylContact O-C 3.57Å; M399-L430 HydrophobicContact SD-CD1 3.68Å; T401-L430 HydrophobicContact CG2-CD1 4.05Å; I406-L430 HydrophobicContact CD1-CD2 3.96Å; L430-L432 HydrophobicContact CG-CD2 4.46Å; L430-A445 HydrophobicContact CD2-CB 4.41Å; L430-F449 HydrophobicContact CD2-CD2 3.9Å; L430-F449 HydrophobicContact CD2-CE2 4.16Å; L430-F449 HydrophobicContact CD2-CG 4.31Å; L430-V451 HydrophobicContact CB-CG2 4.02Å; L430-P452 PolarHBondContact N-O 2.98Å; L430-V453 HydrophobicContact CB-CG1 4.49Å; L430-V453 HydrophobicContact CB-CG2 4.24Å; L430-V453 HydrophobicContact CD2-CG1 4.07Å; L430-V453 HydrophobicContact CD2-CG2 3.95Å; L430-V453 HydrophobicContact CG-CG1 4.27Å; L430-V453 CarbonylContact O-C 3.6Å; L430-V453 VanDerWaalsContact O-CA 3.31Å; L430-V453 WeakPolarHBondContact O-CA 3.27Å; L430-L454 PolarHBondContact O-N 2.98Å
431	F	87.1	Confident	76.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140	177.3	-69.4	-91.1	0	0	0	110.8	I336 Y337 W345 M399 F400 T401 T429 L454 H456 I472	I336-F431 HydrophobicContact CG2-CE1 4.36Å; Y337-F431 HydrophobicContact CD1-CD1 4.01Å; Y337-F431 AromaticContact CD1-CD2 3.59Å; Y337-F431 HydrophobicContact CD1-CD2 3.59Å; Y337-F431 AromaticContact CD1-CE1 3.85Å; Y337-F431 HydrophobicContact CD1-CE1 3.85Å; Y337-F431 AromaticContact CD1-CE2 3.43Å; Y337-F431 HydrophobicContact CD1-CE2 3.43Å; Y337-F431 VanDerWaalsContact CD1-CE2 3.43Å; Y337-F431 AromaticContact CD1-CG 3.87Å; Y337-F431 HydrophobicContact CD1-CG 3.87Å; Y337-F431 AromaticContact CD1-CZ 3.54Å; Y337-F431 HydrophobicContact CD1-CZ 3.54Å; Y337-F431 HydrophobicContact CE1-CB 4.25Å; Y337-F431 AromaticContact CE1-CD1 3.79Å; Y337-F431 HydrophobicContact CE1-CD1 3.79Å; Y337-F431 AromaticContact CE1-CD2 3.91Å; Y337-F431 HydrophobicContact CE1-CD2 3.91Å; Y337-F431 HydrophobicContact CE1-CE1 4.03Å; Y337-F431 HydrophobicContact CE1-CE2 4.15Å; Y337-F431 AromaticContact CE1-CG 3.71Å; Y337-F431 HydrophobicContact CE1-CG 3.71Å; Y337-F431 HydrophobicContact CE1-CZ 4.18Å; Y337-F431 HydrophobicContact CG-CE2 4.39Å; Y337-F431 HydrophobicContact CG-CZ 4.38Å; W345-F431 HydrophobicContact CH2-CD2 4.37Å; W345-F431 HydrophobicContact CZ3-CD2 4.39Å; M399-F431 PolarHBondContact O-N 3.06Å; F400-F431 WeakPolarHBondContact CA-O 3.49Å; F400-F431 HydrophobicContact CB-CB 4.37Å; F400-F431 HydrophobicContact CD1-CB 3.88Å; F400-F431 WeakPolarHBondContact CD1-O 3.31Å; F400-F431 HydrophobicContact CG-CB 4.43Å; T401-F431 PolarHBondContact N-O 3.09Å; T429-F431 VanDerWaalsContact OG1-CE2 3.24Å; T429-F431 WeakPolarHBondContact OG1-CE2 3.13Å; F431-L454 CarbonylContact C-O 3.58Å; F431-L454 WeakPolarHBondContact CA-O 3.43Å; F431-L454 HydrophobicContact CD1-CB 4.11Å; F431-L454 HydrophobicContact CE1-CB 4.21Å; F431-L454 HydrophobicContact CE1-CD1 3.95Å; F431-L454 HydrophobicContact CZ-CD1 4.17Å; F431-H456 AromaticContact CD1-ND1 3.87Å; F431-I472 HydrophobicContact CE1-CD1 4.29Å; F431-I472 HydrophobicContact CE2-CD1 4.05Å; F431-I472 HydrophobicContact CZ-CD1 3.43Å; F431-I472 VanDerWaalsContact CZ-CD1 3.43Å; F431-I472 HydrophobicContact CZ-CG1 4.07Å
432	L	83.5	Confident	76.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.3	174.3	-56.8	-180	0	0	0	110.2	T401 P403 I406 L430 C437 V453 L454 H456	T401-L432 HydrophobicContact CG2-CD2 3.56Å; T401-L432 WeakPolarHBondContact O-CA 3.5Å; P403-L432 HydrophobicContact CG-CB 4.14Å; P403-L432 HydrophobicContact CG-CD1 4.43Å; I406-L432 HydrophobicContact CD1-CD1 4.29Å; I406-L432 HydrophobicContact CD1-CD2 3.37Å; I406-L432 HydrophobicContact CD1-CG 4.45Å; I406-L432 HydrophobicContact CG1-CD2 4.38Å; L430-L432 HydrophobicContact CG-CD2 4.46Å; L432-C437 HydrophobicContact CD1-CB 4.13Å; L432-C437 WeakPolarHBondContact CD1-SG 3.35Å; L432-V453 HydrophobicContact CD1-CG1 3.45Å; L432-V453 VanDerWaalsContact CD1-CG1 3.45Å; L432-V453 HydrophobicContact CG-CG1 3.77Å; L432-L454 PolarHBondContact N-O 2.86Å; L432-H456 PolarHBondContact O-CE1 2.94Å; L432-H456 PolarHBondContact O-N 3.07Å; L432-H456 PolarHBondContact O-ND1 2.79Å
433	A	77.8	Confident	76.8	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.041	26%	0.26	C	S	.	.			trans	-160.9	176.4	169.8	0	0	0	0	0	111.5	F400 T401 P403 E435 H456	F400-A433 HydrophobicContact CE1-CB 3.4Å; F400-A433 VanDerWaalsContact CE1-CB 3.4Å; F400-A433 HydrophobicContact CZ-CB 3.54Å; T401-A433 PolarHBondContact O-N 3.49Å; P403-A433 WeakPolarHBondContact CD-O 3.23Å; A433-E435 VanDerWaalsContact C-N 3.32Å; A433-H456 VanDerWaalsContact CB-O 3.28Å; A433-H456 WeakPolarHBondContact CB-O 3.33Å
434	G	69.1	Low	77.1	Confident	67 Å²	67	46 Å²	46	69%	0.691	24%	0.239	S	C	*	.	S	Bend	trans	97.1	-24.3	177.7	0	0	0	0	0	113
435	E	70.6	Confident	77.3	Confident	44 Å²	44	43.9 Å²	43.9	21%	0.206	23%	0.228	C	C	.	.	S	Bend	trans	-155.9	164.5	175.8	63.7	-170	139.6	0	0	110.2	P403 T404 R407 A433 C437	P403-E435 HydrophobicContact CB-CG 3.72Å; P403-E435 HydrophobicContact CG-CG 3.54Å; T404-E435 WeakPolarHBondContact CA-OE1 3.47Å; T404-E435 WeakPolarHBondContact CB-OE1 3.42Å; T404-E435 PolarHBondContact N-OE1 2.88Å; T404-E435 VanDerWaalsContact OG1-CD 3.23Å; T404-E435 PolarHBondContact OG1-OE1 2.93Å; T404-E435 PolarHBondContact OG1-OE2 2.96Å; R407-E435 IonicContact CZ-OE2 3.33Å; R407-E435 IonicContact NH1-OE2 2.74Å; R407-E435 IonicContact NH2-OE1 3.03Å; R407-E435 PolarHBondContact NH2-OE1 3.36Å; R407-E435 IonicContact NH2-OE2 2.8Å; R407-E435 PolarHBondContact NH2-OE2 3.31Å; A433-E435 VanDerWaalsContact C-N 3.32Å; E435-C437 PolarHBondContact O-N 3.44Å
436	R	68.8	Low	77.7	Confident	61 Å²	61	40.4 Å²	40.4	23%	0.23	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64.1	130.2	175.1	-172.3	177.3	-177.7	-158.7	-11.4	109.9	I561 G579 E583	R436-I561 WeakPolarHBondContact CD-O 3.41Å; R436-I561 PolarHBondContact NE-O 2.78Å; R436-G579 PolarHBondContact NH1-O 2.93Å; R436-E583 IonicContact CZ-OE2 3.7Å; R436-E583 IonicContact NH1-OE2 3.69Å; R436-E583 IonicContact NH2-OE1 2.7Å; R436-E583 IonicContact NH2-OE2 2.9Å; R436-E583 PolarHBondContact NH2-OE2 3.12Å
437	C	69.2	Low	77.8	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.02	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-85.5	122	173.6	-173.1	0	0	0	0	111.2	P403 L432 E435	P403-C437 HydrophobicContact CG-CB 4.1Å; L432-C437 HydrophobicContact CD1-CB 4.13Å; L432-C437 WeakPolarHBondContact CD1-SG 3.35Å; E435-C437 PolarHBondContact O-N 3.44Å
438	D	71	Confident	77.7	Confident	35 Å²	35	41.8 Å²	41.8	19%	0.187	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.4	144.3	171.9	-43.8	-65.1	0	0	0	110.6	R407 E440 T441 L442	R407-D438 IonicContact CZ-OD2 3.28Å; R407-D438 IonicContact NH1-OD2 2.65Å; R407-D438 PolarHBondContact NH1-OD2 2.95Å; D438-E440 PolarHBondContact O-N 3.06Å; D438-T441 PolarHBondContact O-N 2.82Å; D438-T441 VanDerWaalsContact O-N 3.13Å; D438-L442 PolarHBondContact O-N 3.46Å
439	V	72.3	Confident	77.5	Confident	49 Å²	49	36.5 Å²	36.5	30%	0.297	19%	0.189	S	C	.	.	H	α-helix	trans	-57.6	-38.9	178.9	176.8	0	0	0	0	111.6	T441 L442 E443 A482 E583	V439-T441 PolarHBondContact O-N 3.33Å; V439-L442 WeakPolarHBondContact O-CB 3.42Å; V439-L442 PolarHBondContact O-N 2.92Å; V439-E443 HydrophobicContact CG1-CG 4.33Å; V439-E443 WeakPolarHBondContact O-CG 3.19Å; V439-E443 PolarHBondContact O-N 2.88Å; V439-A482 HydrophobicContact CB-CB 4.5Å; V439-A482 HydrophobicContact CG1-CB 3.93Å; V439-A482 HydrophobicContact CG2-CB 3.93Å; V439-E583 WeakPolarHBondContact CG2-OE1 3.5Å
440	E	73.2	Confident	77.1	Confident	97 Å²	97	39.3 Å²	39.3	45%	0.453	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-39.2	179.6	-159.9	-170.3	-170.2	0	0	112.3	R410 D438 W444	R410-E440 VanDerWaalsContact CZ-CD 3.4Å; R410-E440 IonicContact CZ-OE1 2.75Å; R410-E440 IonicContact CZ-OE2 3.64Å; R410-E440 IonicContact NH1-OE1 3.39Å; R410-E440 IonicContact NH1-OE2 3.81Å; R410-E440 PolarHBondContact NH1-OE2 2.68Å; R410-E440 IonicContact NH2-OE1 2.62Å; R410-E440 PolarHBondContact NH2-OE1 2.98Å; R410-E440 IonicContact NH2-OE2 3.15Å; R410-E440 PolarHBondContact NH2-OE2 3.33Å; D438-E440 PolarHBondContact O-N 3.06Å; E440-W444 VanDerWaalsContact O-CB 3.25Å; E440-W444 WeakPolarHBondContact O-CB 3.48Å; E440-W444 PolarHBondContact O-N 2.91Å
441	T	74.4	Confident	76.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-40	175.6	-58	0	0	0	0	110.8	I406 R407 D438 V439 A445	I406-T441 HydrophobicContact CB-CG2 4.07Å; I406-T441 HydrophobicContact CG2-CG2 3.65Å; R407-T441 HydrophobicContact CG-CG2 3.92Å; R407-T441 WeakPolarHBondContact CG-OG1 3.32Å; D438-T441 PolarHBondContact O-N 2.82Å; D438-T441 VanDerWaalsContact O-N 3.13Å; V439-T441 PolarHBondContact O-N 3.33Å; T441-A445 WeakPolarHBondContact O-CB 3.38Å; T441-A445 PolarHBondContact O-N 3.38Å
442	L	77.1	Confident	76.6	Confident	12 Å²	12	42 Å²	42	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-50.7	177	-173.4	72.9	0	0	0	111.6	D438 V439 A445 K446 V453 A482	D438-L442 PolarHBondContact O-N 3.46Å; V439-L442 WeakPolarHBondContact O-CB 3.42Å; V439-L442 PolarHBondContact O-N 2.92Å; L442-A445 PolarHBondContact O-N 3Å; L442-K446 HydrophobicContact CG-CD 4.46Å; L442-K446 WeakPolarHBondContact O-CG 3.32Å; L442-K446 PolarHBondContact O-N 3.38Å; L442-V453 HydrophobicContact CD1-CB 3.79Å; L442-V453 HydrophobicContact CD1-CG1 3.63Å; L442-A482 HydrophobicContact CD2-CB 4.21Å
443	E	80.1	Confident	76.5	Confident	89 Å²	89	42 Å²	42	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-67.5	-37.3	-179.3	-69.7	-54.3	131.6	0	0	112.2	V439 K446 K447	V439-E443 HydrophobicContact CG1-CG 4.33Å; V439-E443 WeakPolarHBondContact O-CG 3.19Å; V439-E443 PolarHBondContact O-N 2.88Å; E443-K446 PolarHBondContact O-N 2.74Å; E443-K446 IonicContact OE1-NZ 2.68Å; E443-K446 PolarHBondContact OE1-NZ 3.33Å; E443-K447 VanDerWaalsContact O-CB 3.32Å; E443-K447 WeakPolarHBondContact O-CB 3.29Å; E443-K447 PolarHBondContact O-N 3.38Å
444	W	81.2	Confident	76.7	Confident	27 Å²	27	41.8 Å²	41.8	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-44.5	172.2	-177.5	92.8	0	0	0	111.6	I406 I409 R410 P414 E440 K447 N448 F449	I406-W444 HydrophobicContact CG2-CE3 3.73Å; I406-W444 HydrophobicContact CG2-CZ3 3.69Å; I409-W444 HydrophobicContact CB-CH2 4.48Å; I409-W444 HydrophobicContact CG2-CH2 3.82Å; R410-W444 HydrophobicContact CB-CD2 4.04Å; R410-W444 HydrophobicContact CB-CE3 4.31Å; R410-W444 HydrophobicContact CB-CH2 4.24Å; R410-W444 HydrophobicContact CB-CZ2 3.91Å; R410-W444 HydrophobicContact CB-CZ3 4.42Å; R410-W444 HydrophobicContact CG-CD2 4.01Å; R410-W444 HydrophobicContact CG-CG 4.16Å; R410-W444 HydrophobicContact CG-CZ2 4.3Å; P414-W444 PolarHBondContact O-NE1 3.35Å; P414-W444 VanDerWaalsContact O-NE1 3.11Å; E440-W444 VanDerWaalsContact O-CB 3.25Å; E440-W444 WeakPolarHBondContact O-CB 3.48Å; E440-W444 PolarHBondContact O-N 2.91Å; W444-K447 PolarHBondContact O-N 3.06Å; W444-N448 VanDerWaalsContact CD2-ND2 3.28Å; W444-N448 WeakPolarHBondContact CZ2-ND2 3.43Å; W444-N448 PolarHBondContact NE1-ND2 3.04Å; W444-N448 WeakPolarHBondContact O-CB 3.23Å; W444-N448 PolarHBondContact O-N 2.86Å; W444-N448 PolarHBondContact O-ND2 2.97Å; W444-F449 HydrophobicContact CZ3-CE2 4.23Å
445	A	81.1	Confident	77.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-45.8	179	0	0	0	0	0	111.6	I406 L430 T441 L442 K447 N448 F449 V453	I406-A445 HydrophobicContact CD1-CB 4.18Å; I406-A445 HydrophobicContact CG2-CB 4.24Å; L430-A445 HydrophobicContact CD2-CB 4.41Å; T441-A445 WeakPolarHBondContact O-CB 3.38Å; T441-A445 PolarHBondContact O-N 3.38Å; L442-A445 PolarHBondContact O-N 3Å; A445-K447 VanDerWaalsContact C-N 3.29Å; A445-K447 PolarHBondContact O-N 3.28Å; A445-N448 PolarHBondContact O-N 3.18Å; A445-F449 HydrophobicContact CB-CD2 4.11Å; A445-F449 HydrophobicContact CB-CE2 4.42Å; A445-F449 WeakPolarHBondContact O-CB 3.33Å; A445-F449 WeakPolarHBondContact O-CD2 3.46Å; A445-F449 PolarHBondContact O-N 3.49Å; A445-V453 HydrophobicContact CB-CG1 4.4Å; A445-V453 HydrophobicContact CB-CG2 3.87Å
446	K	82.7	Confident	78	Confident	53 Å²	53	37.5 Å²	37.5	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-44.7	174.4	-73.7	174.3	-176.8	168.6	0	111.5	L442 E443 G450 V453	L442-K446 HydrophobicContact CG-CD 4.46Å; L442-K446 WeakPolarHBondContact O-CG 3.32Å; L442-K446 PolarHBondContact O-N 3.38Å; E443-K446 PolarHBondContact O-N 2.74Å; E443-K446 IonicContact OE1-NZ 2.68Å; E443-K446 PolarHBondContact OE1-NZ 3.33Å; K446-G450 WeakPolarHBondContact O-CA 3.35Å; K446-G450 PolarHBondContact O-N 3.27Å; K446-G450 VanDerWaalsContact O-N 3.09Å; K446-V453 HydrophobicContact CB-CG2 4.4Å; K446-V453 HydrophobicContact CG-CB 4.02Å; K446-V453 HydrophobicContact CG-CG2 3.73Å
447	K	81.8	Confident	78.7	Confident	172 Å²	172	35.9 Å²	35.9	75%	0.748	19%	0.191	S	C	*	.	H	α-helix	trans	-65.8	-41.6	-179.5	-175.7	178.6	179.9	179.4	0	113	E443 W444 A445	E443-K447 VanDerWaalsContact O-CB 3.32Å; E443-K447 WeakPolarHBondContact O-CB 3.29Å; E443-K447 PolarHBondContact O-N 3.38Å; W444-K447 PolarHBondContact O-N 3.06Å; A445-K447 VanDerWaalsContact C-N 3.29Å; A445-K447 PolarHBondContact O-N 3.28Å
448	N	79.4	Confident	79.2	Confident	35 Å²	35	36.4 Å²	36.4	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-90.6	-35.2	-171.3	-71.1	-21.8	0	0	0	114.1	A416 W444 A445	A416-N448 HydrophobicContact CB-CB 4.17Å; W444-N448 VanDerWaalsContact CD2-ND2 3.28Å; W444-N448 WeakPolarHBondContact CZ2-ND2 3.43Å; W444-N448 PolarHBondContact NE1-ND2 3.04Å; W444-N448 WeakPolarHBondContact O-CB 3.23Å; W444-N448 PolarHBondContact O-N 2.86Å; W444-N448 PolarHBondContact O-ND2 2.97Å; A445-N448 PolarHBondContact O-N 3.18Å
449	F	77.4	Confident	79.2	Confident	10 Å²	10	35.8 Å²	35.8	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-83.6	-20.6	175.1	-68.1	-81.3	0	0	0	112.2	F388 L391 L424 L427 L430 W444 A445 V451	F388-F449 HydrophobicContact CD1-CD1 4.45Å; F388-F449 HydrophobicContact CD1-CE1 4.1Å; F388-F449 AromaticContact CE1-CD1 3.72Å; F388-F449 HydrophobicContact CE1-CD1 3.72Å; F388-F449 AromaticContact CE1-CE1 3.45Å; F388-F449 HydrophobicContact CE1-CE1 3.45Å; F388-F449 VanDerWaalsContact CE1-CE1 3.45Å; F388-F449 HydrophobicContact CE1-CG 4.48Å; F388-F449 HydrophobicContact CE1-CZ 4.02Å; F388-F449 HydrophobicContact CE2-CE1 4.35Å; F388-F449 HydrophobicContact CE2-CZ 4.28Å; F388-F449 HydrophobicContact CZ-CD1 4.2Å; F388-F449 AromaticContact CZ-CE1 3.6Å; F388-F449 HydrophobicContact CZ-CE1 3.6Å; F388-F449 HydrophobicContact CZ-CE2 4.31Å; F388-F449 AromaticContact CZ-CZ 3.65Å; F388-F449 HydrophobicContact CZ-CZ 3.65Å; L391-F449 HydrophobicContact CD1-CD1 4.06Å; L391-F449 HydrophobicContact CD1-CE1 3.8Å; L424-F449 HydrophobicContact CD1-CD1 4Å; L427-F449 HydrophobicContact CD2-CD1 4.42Å; L430-F449 HydrophobicContact CD2-CD2 3.9Å; L430-F449 HydrophobicContact CD2-CE2 4.16Å; L430-F449 HydrophobicContact CD2-CG 4.31Å; W444-F449 HydrophobicContact CZ3-CE2 4.23Å; A445-F449 HydrophobicContact CB-CD2 4.11Å; A445-F449 HydrophobicContact CB-CE2 4.42Å; A445-F449 WeakPolarHBondContact O-CB 3.33Å; A445-F449 WeakPolarHBondContact O-CD2 3.46Å; A445-F449 PolarHBondContact O-N 3.49Å; F449-V451 HydrophobicContact CB-CG2 3.9Å; F449-V451 PolarHBondContact O-N 2.64Å
450	G	74.3	Confident	78.5	Confident	66 Å²	66	36.3 Å²	36.3	68%	0.68	19%	0.192	S	C	*	.			trans	69.1	16.7	178.4	0	0	0	0	0	114.1	K446	K446-G450 WeakPolarHBondContact O-CA 3.35Å; K446-G450 PolarHBondContact O-N 3.27Å; K446-G450 VanDerWaalsContact O-N 3.09Å
451	V	81.4	Confident	77.6	Confident	17 Å²	17	32.2 Å²	32.2	10%	0.103	17%	0.174	C	C	.	.	S	Bend	trans	-127.2	156.9	-177.5	-61.1	0	0	0	0	111.3	L427 L430 F449 V453	L427-V451 HydrophobicContact CB-CG1 4.33Å; L427-V451 HydrophobicContact CD2-CG1 4.17Å; L427-V451 HydrophobicContact CD2-CG2 3.83Å; L427-V451 HydrophobicContact CG-CG1 4.05Å; L427-V451 HydrophobicContact CG-CG2 4.21Å; L427-V451 VanDerWaalsContact O-CG1 3.27Å; L427-V451 WeakPolarHBondContact O-CG1 3.22Å; L430-V451 HydrophobicContact CB-CG2 4.02Å; F449-V451 HydrophobicContact CB-CG2 3.9Å; F449-V451 PolarHBondContact O-N 2.64Å; V451-V453 PolarHBondContact O-N 3.49Å
452	P	81.4	Confident	77.2	Confident	38 Å²	38	33.4 Å²	33.4	25%	0.247	18%	0.179	C	C	.	.			trans	-52.8	125.8	167.8	-27	35.5	0	0	0	111.8	Q428 L430 L478	Q428-P452 WeakPolarHBondContact O-CD 3.38Å; L430-P452 PolarHBondContact N-O 2.98Å; P452-L478 HydrophobicContact CB-CB 4.24Å; P452-L478 HydrophobicContact CB-CD2 4.48Å; P452-L478 HydrophobicContact CG-CB 4.01Å; P452-L478 HydrophobicContact CG-CD1 4.43Å; P452-L478 HydrophobicContact CG-CD2 4.42Å
453	V	82.3	Confident	76.8	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.9	173.7	-171.8	0	0	0	0	108.1	L430 L432 L442 A445 K446 V451	L430-V453 HydrophobicContact CB-CG1 4.49Å; L430-V453 HydrophobicContact CB-CG2 4.24Å; L430-V453 HydrophobicContact CD2-CG1 4.07Å; L430-V453 HydrophobicContact CD2-CG2 3.95Å; L430-V453 HydrophobicContact CG-CG1 4.27Å; L430-V453 CarbonylContact O-C 3.6Å; L430-V453 VanDerWaalsContact O-CA 3.31Å; L430-V453 WeakPolarHBondContact O-CA 3.27Å; L432-V453 HydrophobicContact CD1-CG1 3.45Å; L432-V453 VanDerWaalsContact CD1-CG1 3.45Å; L432-V453 HydrophobicContact CG-CG1 3.77Å; L442-V453 HydrophobicContact CD1-CB 3.79Å; L442-V453 HydrophobicContact CD1-CG1 3.63Å; A445-V453 HydrophobicContact CB-CG1 4.4Å; A445-V453 HydrophobicContact CB-CG2 3.87Å; K446-V453 HydrophobicContact CB-CG2 4.4Å; K446-V453 HydrophobicContact CG-CB 4.02Å; K446-V453 HydrophobicContact CG-CG2 3.73Å; V451-V453 PolarHBondContact O-N 3.49Å
454	L	82.6	Confident	76	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.5	-172.1	-58.7	174.2	0	0	0	109.9	L430 F431 L432 I472 P480	L430-L454 PolarHBondContact O-N 2.98Å; F431-L454 CarbonylContact C-O 3.58Å; F431-L454 WeakPolarHBondContact CA-O 3.43Å; F431-L454 HydrophobicContact CD1-CB 4.11Å; F431-L454 HydrophobicContact CE1-CB 4.21Å; F431-L454 HydrophobicContact CE1-CD1 3.95Å; F431-L454 HydrophobicContact CZ-CD1 4.17Å; L432-L454 PolarHBondContact N-O 2.86Å; L454-I472 HydrophobicContact CD1-CD1 3.45Å; L454-I472 VanDerWaalsContact CD1-CD1 3.45Å; L454-I472 HydrophobicContact CD1-CG1 3.69Å; L454-P480 HydrophobicContact CD2-CG 3.62Å
455	D	81.7	Confident	75.9	Confident	20 Å²	20	27.5 Å²	27.5	11%	0.107	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.6	170.5	-165.8	7.1	0	0	0	109.6	Q484 A485	D455-Q484 WeakPolarHBondContact CB-O 3.35Å; D455-A485 CarbonylContact O-C 3.58Å
456	H	84.9	Confident	76	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.			trans	-140.7	140.4	174.7	67.4	-81.7	0	0	0	109.7	Y337 F400 F431 L432 A433 W458 T468 S469	Y337-H456 PolarHBondContact OH-NE2 3.27Å; F400-H456 AromaticContact CD1-CE1 3.67Å; F400-H456 AromaticContact CE1-CE1 3.16Å; F400-H456 WeakPolarHBondContact CE1-CE1 3.27Å; F400-H456 AromaticContact CE1-NE2 3.57Å; F400-H456 AromaticContact CZ-CE1 3.55Å; F400-H456 AromaticContact CZ-NE2 3.42Å; F400-H456 WeakPolarHBondContact CZ-NE2 3.25Å; F431-H456 AromaticContact CD1-ND1 3.87Å; L432-H456 PolarHBondContact O-CE1 2.94Å; L432-H456 PolarHBondContact O-N 3.07Å; L432-H456 PolarHBondContact O-ND1 2.79Å; A433-H456 VanDerWaalsContact CB-O 3.28Å; A433-H456 WeakPolarHBondContact CB-O 3.33Å; H456-W458 AromaticContact CD2-CD1 3.42Å; H456-W458 VanDerWaalsContact CD2-CD1 3.42Å; H456-W458 AromaticContact CD2-NE1 3.37Å; H456-W458 PolarHBondContact CD2-NE1 3.41Å; H456-W458 AromaticContact NE2-CD1 3.85Å; H456-W458 AromaticContact NE2-NE1 3.26Å; H456-W458 PolarHBondContact NE2-NE1 3.04Å; H456-T468 CarbonylContact C-O 3.48Å; H456-T468 WeakPolarHBondContact CA-O 3.34Å; H456-T468 VanDerWaalsContact CB-O 3.26Å; H456-T468 WeakPolarHBondContact CB-O 3.36Å; H456-S469 WeakPolarHBondContact CB-OG 3.31Å
457	W	83.3	Confident	76	Confident	27 Å²	27	25 Å²	25	10%	0.102	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-112.5	142.1	-177.2	166	79.1	0	0	0	112.5	Q459 I467 T468 A485 I512 T547 D549 L559 I561	W457-Q459 HydrophobicContact CZ2-CG 4.04Å; W457-I467 HydrophobicContact CD2-CD1 4.38Å; W457-I467 HydrophobicContact CE3-CB 3.87Å; W457-I467 HydrophobicContact CE3-CD1 4.13Å; W457-I467 HydrophobicContact CE3-CG2 4.03Å; W457-I467 HydrophobicContact CH2-CD1 3.91Å; W457-I467 HydrophobicContact CH2-CG2 4.44Å; W457-I467 HydrophobicContact CZ2-CD1 4.13Å; W457-I467 HydrophobicContact CZ3-CB 3.96Å; W457-I467 HydrophobicContact CZ3-CD1 3.9Å; W457-I467 HydrophobicContact CZ3-CG2 3.63Å; W457-I467 PolarHBondContact O-N 2.95Å; W457-T468 HydrophobicContact CE3-CG2 3.99Å; W457-T468 HydrophobicContact CZ3-CG2 4.31Å; W457-T468 PolarHBondContact N-O 3.07Å; W457-T468 PolarHBondContact O-N 3.37Å; W457-A485 HydrophobicContact CB-CB 3.72Å; W457-I512 HydrophobicContact CH2-CB 4.4Å; W457-I512 HydrophobicContact CH2-CD1 4.48Å; W457-I512 HydrophobicContact CH2-CG2 3.67Å; W457-I512 HydrophobicContact CZ3-CG2 4.02Å; W457-T547 HydrophobicContact CH2-CG2 3.91Å; W457-T547 HydrophobicContact CZ2-CG2 4.4Å; W457-D549 HydrophobicContact CZ2-CB 3.96Å; W457-D549 VanDerWaalsContact CZ2-OD2 3.24Å; W457-D549 WeakPolarHBondContact CZ2-OD2 3.17Å; W457-D549 PolarHBondContact NE1-OD2 3.03Å; W457-D549 VanDerWaalsContact NE1-OD2 3.1Å; W457-L559 HydrophobicContact CE3-CD2 3.61Å; W457-L559 HydrophobicContact CH2-CD2 4.45Å; W457-L559 HydrophobicContact CZ3-CD2 3.53Å; W457-I561 HydrophobicContact CB-CD1 3.16Å; W457-I561 HydrophobicContact CD2-CD1 3.2Å; W457-I561 HydrophobicContact CD2-CG1 4.4Å; W457-I561 HydrophobicContact CE3-CD1 3.78Å; W457-I561 HydrophobicContact CG-CD1 2.92Å; W457-I561 HydrophobicContact CG-CG1 4.37Å
458	W	79.5	Confident	76	Confident	14 Å²	14	16.8 Å²	16.8	5%	0.053	11%	0.106	C	C	.	.			trans	-164.9	164.7	172.3	50.2	-64.2	0	0	0	110.1	V354 V355 Y359 F400 H456 S465 I467	V354-W458 HydrophobicContact CB-CH2 4.42Å; V354-W458 HydrophobicContact CB-CZ3 4.15Å; V354-W458 HydrophobicContact CG1-CE3 4.26Å; V354-W458 HydrophobicContact CG1-CH2 3.48Å; V354-W458 VanDerWaalsContact CG1-CH2 3.48Å; V354-W458 HydrophobicContact CG1-CZ3 3.26Å; V354-W458 HydrophobicContact CG2-CH2 4.35Å; V354-W458 HydrophobicContact CG2-CZ3 3.83Å; V355-W458 HydrophobicContact CB-CH2 4.36Å; V355-W458 HydrophobicContact CB-CZ2 4.41Å; V355-W458 HydrophobicContact CG2-CH2 3.77Å; V355-W458 HydrophobicContact CG2-CZ2 3.6Å; Y359-W458 AromaticContact CD2-CH2 3.95Å; Y359-W458 HydrophobicContact CD2-CH2 3.95Å; Y359-W458 AromaticContact CD2-CZ2 3.81Å; Y359-W458 HydrophobicContact CD2-CZ2 3.81Å; Y359-W458 AromaticContact CE2-CH2 3.7Å; Y359-W458 HydrophobicContact CE2-CH2 3.7Å; Y359-W458 AromaticContact CE2-CZ2 3.5Å; Y359-W458 HydrophobicContact CE2-CZ2 3.5Å; Y359-W458 VanDerWaalsContact CE2-CZ2 3.5Å; Y359-W458 HydrophobicContact CE2-CZ3 4.44Å; F400-W458 HydrophobicContact CE2-CZ2 4.17Å; F400-W458 HydrophobicContact CZ-CZ2 4.1Å; H456-W458 AromaticContact CD2-CD1 3.42Å; H456-W458 VanDerWaalsContact CD2-CD1 3.42Å; H456-W458 AromaticContact CD2-NE1 3.37Å; H456-W458 PolarHBondContact CD2-NE1 3.41Å; H456-W458 AromaticContact NE2-CD1 3.85Å; H456-W458 AromaticContact NE2-NE1 3.26Å; H456-W458 PolarHBondContact NE2-NE1 3.04Å; W458-S465 WeakPolarHBondContact CB-O 3.24Å; W458-I467 HydrophobicContact CB-CG1 4.13Å
459	Q	71.1	Confident	76.2	Confident	22 Å²	22	15.1 Å²	15.1	10%	0.103	10%	0.097	C	C	.	.			trans	-107.2	128.5	-176.7	-58.6	-166.7	-48.1	0	0	109.8	W457 V461 T463 I467 Y545 T547 D549	W457-Q459 HydrophobicContact CZ2-CG 4.04Å; Q459-V461 PolarHBondContact O-N 3.38Å; Q459-T463 HydrophobicContact CB-CG2 4.41Å; Q459-T463 PolarHBondContact N-OG1 3.02Å; Q459-T463 PolarHBondContact O-OG1 2.54Å; Q459-I467 HydrophobicContact CG-CD1 4Å; Q459-Y545 PolarHBondContact OE1-OH 3.44Å; Q459-Y545 VanDerWaalsContact OE1-OH 3.04Å; Q459-T547 PolarHBondContact NE2-O 3.49Å; Q459-T547 PolarHBondContact OE1-O 2.78Å; Q459-D549 PolarHBondContact NE2-OD2 2.92Å
460	T	56.8	Low	76.3	Confident	61 Å²	61	14.8 Å²	14.8	37%	0.374	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6	-157	42.5	0	0	0	0	113.9	V354	V354-T460 WeakPolarHBondContact CB-O 3.32Å; V354-T460 VanDerWaalsContact CG1-CA 3.43Å; V354-T460 VanDerWaalsContact CG1-CB 3.47Å; V354-T460 HydrophobicContact CG1-CG2 3.7Å; V354-T460 WeakPolarHBondContact CG1-O 3.47Å; V354-T460 WeakPolarHBondContact CG2-O 3.46Å
461	V	55.8	Low	76.4	Confident	11 Å²	11	11.6 Å²	11.6	7%	0.067	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-24.1	-177.5	-146.5	0	0	0	0	113.5	L306 T308 V318 R320 Q459	L306-V461 HydrophobicContact CB-CG1 4.11Å; L306-V461 HydrophobicContact CD2-CG1 4.17Å; L306-V461 HydrophobicContact CG-CG1 4.22Å; T308-V461 HydrophobicContact CG2-CB 3.41Å; T308-V461 VanDerWaalsContact CG2-CB 3.41Å; T308-V461 HydrophobicContact CG2-CG1 3.37Å; T308-V461 HydrophobicContact CG2-CG2 3.28Å; V318-V461 HydrophobicContact CB-CB 4.32Å; V318-V461 HydrophobicContact CB-CG1 3.44Å; V318-V461 VanDerWaalsContact CB-CG1 3.44Å; V318-V461 HydrophobicContact CG1-CG1 4.24Å; V318-V461 WeakPolarHBondContact CG1-O 3.46Å; V318-V461 HydrophobicContact CG2-CB 3.82Å; V318-V461 HydrophobicContact CG2-CG1 3.36Å; R320-V461 PolarHBondContact NH2-O 3.25Å; Q459-V461 PolarHBondContact O-N 3.38Å
462	E	64.6	Low	76.1	Confident	26 Å²	26	12.6 Å²	12.6	12%	0.121	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-42.7	-177.8	-59.2	84.9	174.4	0	0	111.3	R320 A523 Y537 Y545	R320-E462 PolarHBondContact NH1-O 3.19Å; E462-A523 WeakPolarHBondContact O-CB 3.49Å; E462-A523 PolarHBondContact O-N 2.93Å; E462-Y537 HydrophobicContact CG-CD1 4.46Å; E462-Y537 HydrophobicContact CG-CE1 3.65Å; E462-Y537 HydrophobicContact CG-CE2 4.28Å; E462-Y537 VanDerWaalsContact OE1-CZ 3.32Å; E462-Y537 PolarHBondContact OE1-OH 2.94Å; E462-Y545 HydrophobicContact CB-CE2 4.21Å; E462-Y545 WeakPolarHBondContact CB-OH 3.43Å; E462-Y545 VanDerWaalsContact CG-OH 3.25Å; E462-Y545 WeakPolarHBondContact CG-OH 3.36Å
463	T	68.7	Low	75.2	Confident	1 Å²	1	12.8 Å²	12.8	1%	0.006	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-31.4	-170.7	60.9	0	0	0	0	114.9	Q459 S465 I467 Y492 Y545	Q459-T463 HydrophobicContact CB-CG2 4.41Å; Q459-T463 PolarHBondContact N-OG1 3.02Å; Q459-T463 PolarHBondContact O-OG1 2.54Å; T463-S465 PolarHBondContact O-N 2.82Å; T463-S465 PolarHBondContact OG1-O 3.5Å; T463-I467 HydrophobicContact CG2-CD1 3.46Å; T463-I467 VanDerWaalsContact CG2-CD1 3.46Å; T463-I467 HydrophobicContact CG2-CG1 3.72Å; T463-Y492 HydrophobicContact CG2-CE1 4.27Å; T463-Y492 PolarHBondContact O-OH 3.3Å; T463-Y545 HydrophobicContact CG2-CE1 4.29Å
464	G	65.1	Low	74.5	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.01	8%	0.08	C	C	.	.			trans	72.3	-16	173.7	0	0	0	0	0	116.1	S358	S358-G464 PolarHBondContact OG-O 2.65Å
465	S	77.9	Confident	73.5	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.007	11%	0.111	C	C	.	.	S	Bend	trans	-146.7	171.8	178.9	76	0	0	0	0	111	M328 W458 T463 I467 Y492	M328-S465 WeakPolarHBondContact CG-OG 3.31Å; W458-S465 WeakPolarHBondContact CB-O 3.24Å; T463-S465 PolarHBondContact O-N 2.82Å; T463-S465 PolarHBondContact OG1-O 3.5Å; S465-I467 PolarHBondContact O-N 3.07Å; S465-Y492 PolarHBondContact OG-OH 2.83Å; S465-Y492 VanDerWaalsContact OG-OH 3.06Å
466	A	82.8	Confident	72.7	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.112	C	C	.	.			trans	-61.4	123.1	-178.5	0	0	0	0	0	111.7	I336 Y359 V489	I336-A466 HydrophobicContact CD1-CB 3.73Å; Y359-A466 PolarHBondContact OH-N 3.38Å; A466-V489 HydrophobicContact CB-CG2 4.32Å; A466-V489 WeakPolarHBondContact O-CB 3.46Å; A466-V489 WeakPolarHBondContact O-CG2 3.38Å
467	I	82.7	Confident	71.6	Confident	0 Å²	0	20 Å²	20	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-80.2	-45.7	175.5	-56.7	170.8	0	0	0	109.2	W457 W458 Q459 T463 S465 V489 Y492 V494 V514	W457-I467 HydrophobicContact CD2-CD1 4.38Å; W457-I467 HydrophobicContact CE3-CB 3.87Å; W457-I467 HydrophobicContact CE3-CD1 4.13Å; W457-I467 HydrophobicContact CE3-CG2 4.03Å; W457-I467 HydrophobicContact CH2-CD1 3.91Å; W457-I467 HydrophobicContact CH2-CG2 4.44Å; W457-I467 HydrophobicContact CZ2-CD1 4.13Å; W457-I467 HydrophobicContact CZ3-CB 3.96Å; W457-I467 HydrophobicContact CZ3-CD1 3.9Å; W457-I467 HydrophobicContact CZ3-CG2 3.63Å; W457-I467 PolarHBondContact O-N 2.95Å; W458-I467 HydrophobicContact CB-CG1 4.13Å; Q459-I467 HydrophobicContact CG-CD1 4Å; T463-I467 HydrophobicContact CG2-CD1 3.46Å; T463-I467 VanDerWaalsContact CG2-CD1 3.46Å; T463-I467 HydrophobicContact CG2-CG1 3.72Å; S465-I467 PolarHBondContact O-N 3.07Å; I467-V489 PolarHBondContact O-N 3.38Å; I467-Y492 HydrophobicContact CB-CG 4.48Å; I467-Y492 HydrophobicContact CG1-CD1 4.32Å; I467-Y492 HydrophobicContact CG1-CE1 4.24Å; I467-Y492 HydrophobicContact CG2-CD1 4.06Å; I467-Y492 HydrophobicContact CG2-CG 4.04Å; I467-V494 HydrophobicContact CG2-CG2 3.63Å; I467-V514 HydrophobicContact CG2-CG2 4.46Å
468	T	82.7	Confident	70.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.7	173.4	63.3	0	0	0	0	110	H456 W457 A485 K487 P488 V494 L559	H456-T468 CarbonylContact C-O 3.48Å; H456-T468 WeakPolarHBondContact CA-O 3.34Å; H456-T468 VanDerWaalsContact CB-O 3.26Å; H456-T468 WeakPolarHBondContact CB-O 3.36Å; W457-T468 HydrophobicContact CE3-CG2 3.99Å; W457-T468 HydrophobicContact CZ3-CG2 4.31Å; W457-T468 PolarHBondContact N-O 3.07Å; W457-T468 PolarHBondContact O-N 3.37Å; T468-A485 CarbonylContact C-O 3.58Å; T468-A485 VanDerWaalsContact C-O 3.3Å; T468-A485 WeakPolarHBondContact CB-O 3.46Å; T468-A485 PolarHBondContact OG1-O 3.03Å; T468-K487 CarbonylContact C-O 3.56Å; T468-K487 VanDerWaalsContact CA-O 3.22Å; T468-K487 WeakPolarHBondContact CA-O 3.2Å; T468-P488 HydrophobicContact CG2-CG 4.38Å; T468-V494 HydrophobicContact CG2-CG2 4.36Å; T468-L559 HydrophobicContact CG2-CB 4.03Å; T468-L559 HydrophobicContact CG2-CD2 3.44Å; T468-L559 VanDerWaalsContact CG2-CD2 3.44Å; T468-L559 HydrophobicContact CG2-CG 4.39Å
469	S	82.5	Confident	69.5	Low	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	162.4	177.1	-169.8	0	0	0	0	111.3	I336 H456 C471 K487	I336-S469 WeakPolarHBondContact CG2-OG 3.45Å; H456-S469 WeakPolarHBondContact CB-OG 3.31Å; S469-C471 PolarHBondContact O-N 2.83Å; S469-K487 PolarHBondContact N-O 3.48Å; S469-K487 PolarHBondContact O-N 3.02Å; S469-K487 VanDerWaalsContact O-N 3.15Å; S469-K487 VanDerWaalsContact O-O 3.08Å
470	S	79.6	Confident	69.3	Low	3 Å²	3	26.9 Å²	26.9	2%	0.021	18%	0.181	C	C	.	.			trans	-87	97	166.3	-60.8	0	0	0	0	108.7	I472	S470-I472 PolarHBondContact O-N 3.15Å
471	C	76.4	Confident	69.5	Low	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.179	C	C	.	.			trans	-68.7	96.4	-177.3	-58	0	0	0	0	112.9	Y71 N335 S469 L474 G475 N476	Y71-C471 HydrophobicContact CD2-CB 4.23Å; N335-C471 CarbonylContact O-C 3.59Å; N335-C471 WeakPolarHBondContact O-CB 3.4Å; S469-C471 PolarHBondContact O-N 2.83Å; C471-L474 HydrophobicContact CB-CB 3.89Å; C471-L474 HydrophobicContact CB-CD1 3.93Å; C471-L474 HydrophobicContact CB-CG 4.14Å; C471-L474 PolarHBondContact O-N 2.83Å; C471-G475 PolarHBondContact O-N 2.82Å; C471-N476 PolarHBondContact N-ND2 2.83Å; C471-N476 WeakPolarHBondContact O-CB 3.13Å; C471-N476 PolarHBondContact O-N 2.75Å; C471-N476 VanDerWaalsContact O-N 3.12Å
472	I	75.6	Confident	69.8	Low	38 Å²	38	28 Å²	28	20%	0.195	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-43.3	-177.2	-54.7	-174.3	0	0	0	111	I336 T429 F431 L454 S470 L474 G475 L478	I336-I472 WeakPolarHBondContact O-CB 3.32Å; I336-I472 PolarHBondContact O-N 3.12Å; T429-I472 HydrophobicContact CG2-CD1 3.28Å; F431-I472 HydrophobicContact CE1-CD1 4.29Å; F431-I472 HydrophobicContact CE2-CD1 4.05Å; F431-I472 HydrophobicContact CZ-CD1 3.43Å; F431-I472 VanDerWaalsContact CZ-CD1 3.43Å; F431-I472 HydrophobicContact CZ-CG1 4.07Å; L454-I472 HydrophobicContact CD1-CD1 3.45Å; L454-I472 VanDerWaalsContact CD1-CD1 3.45Å; L454-I472 HydrophobicContact CD1-CG1 3.69Å; S470-I472 PolarHBondContact O-N 3.15Å; I472-L474 PolarHBondContact O-N 2.89Å; I472-G475 PolarHBondContact O-N 2.85Å; I472-L478 HydrophobicContact CD1-CD2 4.11Å; I472-L478 HydrophobicContact CG1-CD2 4.14Å; I472-L478 HydrophobicContact CG2-CD2 4.05Å
473	G	63.2	Low	69.7	Low	41 Å²	41	27.2 Å²	27.2	42%	0.423	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	178.6	0	0	0	0	0	113.5	N335	N335-G473 WeakPolarHBondContact O-CA 3.44Å; N335-G473 PolarHBondContact O-N 2.85Å
474	L	67.6	Low	70.2	Confident	19 Å²	19	27.5 Å²	27.5	10%	0.099	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8.8	175.9	-62.6	176.6	0	0	0	113.5	Y71 A74 W331 N335 C471 I472 P490	Y71-L474 HydrophobicContact CD2-CD1 4.26Å; Y71-L474 PolarHBondContact N-O 2.85Å; A74-L474 HydrophobicContact CB-CD1 4.23Å; A74-L474 HydrophobicContact CB-CD2 4.44Å; W331-L474 HydrophobicContact CH2-CD1 4.35Å; W331-L474 HydrophobicContact CZ2-CD1 4.16Å; N335-L474 HydrophobicContact CB-CD1 4.28Å; N335-L474 HydrophobicContact CB-CD2 4.42Å; N335-L474 HydrophobicContact CB-CG 4.07Å; N335-L474 PolarHBondContact O-N 2.86Å; N335-L474 WeakPolarHBondContact OD1-CD2 3.3Å; C471-L474 HydrophobicContact CB-CB 3.89Å; C471-L474 HydrophobicContact CB-CD1 3.93Å; C471-L474 HydrophobicContact CB-CG 4.14Å; C471-L474 PolarHBondContact O-N 2.83Å; I472-L474 PolarHBondContact O-N 2.89Å; L474-P490 HydrophobicContact CD1-CG 4.23Å
475	G	60.6	Low	70.7	Confident	63 Å²	63	27.6 Å²	27.6	65%	0.649	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	25.5	175.3	0	0	0	0	0	114.6	C471 I472	C471-G475 PolarHBondContact O-N 2.82Å; I472-G475 PolarHBondContact O-N 2.85Å
476	N	66.1	Low	70.7	Confident	22 Å²	22	27.6 Å²	27.6	12%	0.118	19%	0.193	C	C	.	.			trans	-67.7	154.2	171.5	-78.5	-8.3	0	0	0	111.4	Y71 C471 L478	Y71-N476 WeakPolarHBondContact CB-OD1 3.39Å; Y71-N476 VanDerWaalsContact CD2-ND2 3.31Å; Y71-N476 WeakPolarHBondContact CD2-ND2 3.28Å; Y71-N476 VanDerWaalsContact CG-OD1 3.29Å; C471-N476 PolarHBondContact N-ND2 2.83Å; C471-N476 WeakPolarHBondContact O-CB 3.13Å; C471-N476 PolarHBondContact O-N 2.75Å; C471-N476 VanDerWaalsContact O-N 3.12Å; N476-L478 PolarHBondContact O-N 3.04Å
477	S	60.8	Low	70.8	Confident	71 Å²	71	29.7 Å²	29.7	50%	0.497	20%	0.202	S	C	.	.			trans	-57.7	132.4	179.5	-176.4	0	0	0	0	111.6	T479	S477-T479 PolarHBondContact O-N 3.36Å; S477-T479 PolarHBondContact OG-N 3.31Å; S477-T479 PolarHBondContact OG-OG1 3.02Å
478	L	60.8	Low	70.9	Confident	80 Å²	80	30.3 Å²	30.3	42%	0.419	21%	0.206	S	C	.	.	S	Bend	trans	-77.6	-6.4	175.2	-65.5	172.5	0	0	0	112.8	P452 I472 N476 P480	P452-L478 HydrophobicContact CB-CB 4.24Å; P452-L478 HydrophobicContact CB-CD2 4.48Å; P452-L478 HydrophobicContact CG-CB 4.01Å; P452-L478 HydrophobicContact CG-CD1 4.43Å; P452-L478 HydrophobicContact CG-CD2 4.42Å; I472-L478 HydrophobicContact CD1-CD2 4.11Å; I472-L478 HydrophobicContact CG1-CD2 4.14Å; I472-L478 HydrophobicContact CG2-CD2 4.05Å; N476-L478 PolarHBondContact O-N 3.04Å; L478-P480 WeakPolarHBondContact O-CD 3.37Å
479	T	59.3	Low	70.9	Confident	112 Å²	112	30.3 Å²	30.3	69%	0.687	21%	0.206	S	C	*	.	S	Bend	trans	-121.4	73	177.4	55.4	0	0	0	0	110.7	S477	S477-T479 PolarHBondContact O-N 3.36Å; S477-T479 PolarHBondContact OG-N 3.31Å; S477-T479 PolarHBondContact OG-OG1 3.02Å
480	P	64.9	Low	70.9	Confident	15 Å²	15	30.3 Å²	30.3	10%	0.097	21%	0.206	C	C	.	.			trans	-65.3	152.1	170.5	25.6	-32.9	0	0	0	112.5	L454 L478 Q484	L454-P480 HydrophobicContact CD2-CG 3.62Å; L478-P480 WeakPolarHBondContact O-CD 3.37Å; P480-Q484 VanDerWaalsContact CB-CD 3.48Å; P480-Q484 HydrophobicContact CB-CG 3.99Å
481	P	61.2	Low	70.7	Confident	53 Å²	53	31 Å²	31	34%	0.344	21%	0.213	S	C	.	.			trans	-45.1	148	163.5	-28.5	30.7	0	0	0	113.1	Q484 F558 Y560	P481-Q484 VanDerWaalsContact CG-OE1 3.32Å; P481-Q484 VanDerWaalsContact O-CG 3.32Å; P481-Q484 WeakPolarHBondContact O-CG 3.36Å; P481-F558 HydrophobicContact CG-CD2 4.37Å; P481-F558 HydrophobicContact CG-CE2 4.37Å; P481-Y560 WeakPolarHBondContact CB-OH 3.29Å
482	A	63.4	Low	71	Confident	42 Å²	42	31 Å²	31	35%	0.347	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	140	-178.4	0	0	0	0	0	111.5	V439 L442	V439-A482 HydrophobicContact CB-CB 4.5Å; V439-A482 HydrophobicContact CG1-CB 3.93Å; V439-A482 HydrophobicContact CG2-CB 3.93Å; L442-A482 HydrophobicContact CD2-CB 4.21Å
483	G	62	Low	71.4	Confident	9 Å²	9	31.2 Å²	31.2	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	9.5	175.2	0	0	0	0	0	116.1	Y560	G483-Y560 WeakPolarHBondContact O-CD1 3.43Å
484	Q	78.2	Confident	72.5	Confident	7 Å²	7	29.7 Å²	29.7	3%	0.033	20%	0.197	C	C	.	.			trans	-94.2	155.3	175.1	76.8	176.2	32.9	0	0	112.6	D455 P480 P481 F558 Y560	D455-Q484 WeakPolarHBondContact CB-O 3.35Å; P480-Q484 VanDerWaalsContact CB-CD 3.48Å; P480-Q484 HydrophobicContact CB-CG 3.99Å; P481-Q484 VanDerWaalsContact CG-OE1 3.32Å; P481-Q484 VanDerWaalsContact O-CG 3.32Å; P481-Q484 WeakPolarHBondContact O-CG 3.36Å; Q484-F558 HydrophobicContact CB-CB 4.42Å; Q484-F558 VanDerWaalsContact OE1-CB 3.25Å; Q484-F558 VanDerWaalsContact OE1-CD1 3.3Å; Q484-Y560 HydrophobicContact CB-CD1 4.08Å; Q484-Y560 HydrophobicContact CB-CE1 3.71Å; Q484-Y560 HydrophobicContact CB-CE2 4.16Å; Q484-Y560 HydrophobicContact CB-CG 4.48Å
485	A	75.4	Confident	73.3	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.033	20%	0.198	C	C	.	.			trans	-99.7	22.1	176.5	0	0	0	0	0	113.9	D455 W457 T468 L559 I561	D455-A485 CarbonylContact O-C 3.58Å; W457-A485 HydrophobicContact CB-CB 3.72Å; T468-A485 CarbonylContact C-O 3.58Å; T468-A485 VanDerWaalsContact C-O 3.3Å; T468-A485 WeakPolarHBondContact CB-O 3.46Å; T468-A485 PolarHBondContact OG1-O 3.03Å; A485-L559 PolarHBondContact N-O 2.92Å; A485-I561 HydrophobicContact CB-CD1 3.67Å; A485-I561 HydrophobicContact CB-CG1 4.14Å
486	G	79.2	Confident	74.4	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.			trans	81.9	-164.9	-179.8	0	0	0	0	0	114.2	L559	G486-L559 PolarHBondContact O-N 2.89Å
487	K	84	Confident	75.3	Confident	45 Å²	45	26 Å²	26	20%	0.196	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	156.6	178	-57.3	-164.6	-177.7	-157.4	0	111.1	Y71 T468 S469 V489 E556 F558	Y71-K487 HydrophobicContact CE1-CB 4.34Å; Y71-K487 HydrophobicContact CE1-CD 3.97Å; Y71-K487 HydrophobicContact CE2-CB 4.38Å; Y71-K487 WeakPolarHBondContact OH-CB 3.22Å; T468-K487 CarbonylContact C-O 3.56Å; T468-K487 VanDerWaalsContact CA-O 3.22Å; T468-K487 WeakPolarHBondContact CA-O 3.2Å; S469-K487 PolarHBondContact N-O 3.48Å; S469-K487 PolarHBondContact O-N 3.02Å; S469-K487 VanDerWaalsContact O-N 3.15Å; S469-K487 VanDerWaalsContact O-O 3.08Å; K487-V489 PolarHBondContact O-N 3.1Å; K487-E556 WeakPolarHBondContact CE-O 3.48Å; K487-E556 PolarHBondContact NZ-O 3.4Å; K487-F558 HydrophobicContact CD-CD1 4.24Å; K487-F558 HydrophobicContact CD-CE1 4.01Å; K487-F558 HydrophobicContact CD-CZ 4.48Å; K487-F558 HydrophobicContact CG-CD1 3.39Å; K487-F558 HydrophobicContact CG-CE1 3.45Å; K487-F558 VanDerWaalsContact CG-CE1 3.45Å; K487-F558 HydrophobicContact CG-CG 4.29Å; K487-F558 HydrophobicContact CG-CZ 4.37Å
488	P	84.8	Confident	76.3	Confident	13 Å²	13	24.1 Å²	24.1	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	123.7	177.6	-26.8	36.5	0	0	0	113.8	Y71 F75 T468 Y492 V494 G557	Y71-P488 PolarHBondContact OH-O 3.43Å; F75-P488 WeakPolarHBondContact CD2-O 3.2Å; F75-P488 HydrophobicContact CE2-CB 3.79Å; F75-P488 WeakPolarHBondContact CE2-O 3.4Å; F75-P488 HydrophobicContact CZ-CB 4.22Å; T468-P488 HydrophobicContact CG2-CG 4.38Å; P488-Y492 WeakPolarHBondContact CB-O 3.4Å; P488-V494 HydrophobicContact CB-CB 4.25Å; P488-V494 HydrophobicContact CB-CG2 4.01Å; P488-V494 HydrophobicContact CG-CB 3.97Å; P488-V494 HydrophobicContact CG-CG2 4.17Å; P488-G557 WeakPolarHBondContact CD-O 3.28Å
489	V	84	Confident	77	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.151	C	C	.	.			trans	-66.1	138.5	179	172.9	0	0	0	0	109.5	W331 I336 A466 I467 K487 G491 Y492	W331-V489 HydrophobicContact CE3-CG1 4.48Å; W331-V489 HydrophobicContact CH2-CG1 3.67Å; W331-V489 HydrophobicContact CZ3-CG1 3.36Å; I336-V489 HydrophobicContact CD1-CG1 4.1Å; I336-V489 HydrophobicContact CD1-CG2 3.82Å; A466-V489 HydrophobicContact CB-CG2 4.32Å; A466-V489 WeakPolarHBondContact O-CB 3.46Å; A466-V489 WeakPolarHBondContact O-CG2 3.38Å; I467-V489 PolarHBondContact O-N 3.38Å; K487-V489 PolarHBondContact O-N 3.1Å; V489-G491 PolarHBondContact O-N 2.9Å; V489-Y492 HydrophobicContact CB-CD2 4.16Å; V489-Y492 HydrophobicContact CG1-CD2 4.49Å; V489-Y492 PolarHBondContact O-N 3.21Å
490	P	81.7	Confident	77.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	121.9	172.7	-32.1	32.9	0	0	0	113	A74 F75 A78 F85 W331 L474	A74-P490 HydrophobicContact CB-CG 4.21Å; F75-P490 HydrophobicContact CB-CG 4.33Å; F75-P490 HydrophobicContact CD2-CG 4.4Å; A78-P490 HydrophobicContact CB-CB 3.82Å; F85-P490 HydrophobicContact CZ-CB 4.42Å; W331-P490 HydrophobicContact CH2-CB 4.09Å; W331-P490 HydrophobicContact CH2-CG 3.87Å; W331-P490 HydrophobicContact CZ2-CB 4.03Å; W331-P490 HydrophobicContact CZ2-CG 3.95Å; L474-P490 HydrophobicContact CD1-CG 4.23Å
491	G	75.9	Confident	78.2	Confident	16 Å²	16	29.3 Å²	29.3	17%	0.165	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	-24.8	-174.9	0	0	0	0	0	114.4	V489 P519	V489-G491 PolarHBondContact O-N 2.9Å; G491-P519 WeakPolarHBondContact O-CD 3.26Å
492	Y	82.8	Confident	79.1	Confident	1 Å²	1	33 Å²	33	0%	0.004	18%	0.182	C	C	.	.			trans	-96.2	101.4	170.1	-66.5	-82.4	0	0	0	109.8	M328 T463 S465 I467 P488 V489 V494 V514 P519	M328-Y492 HydrophobicContact CE-CE2 4.19Å; T463-Y492 HydrophobicContact CG2-CE1 4.27Å; T463-Y492 PolarHBondContact O-OH 3.3Å; S465-Y492 PolarHBondContact OG-OH 2.83Å; S465-Y492 VanDerWaalsContact OG-OH 3.06Å; I467-Y492 HydrophobicContact CB-CG 4.48Å; I467-Y492 HydrophobicContact CG1-CD1 4.32Å; I467-Y492 HydrophobicContact CG1-CE1 4.24Å; I467-Y492 HydrophobicContact CG2-CD1 4.06Å; I467-Y492 HydrophobicContact CG2-CG 4.04Å; P488-Y492 WeakPolarHBondContact CB-O 3.4Å; V489-Y492 HydrophobicContact CB-CD2 4.16Å; V489-Y492 HydrophobicContact CG1-CD2 4.49Å; V489-Y492 PolarHBondContact O-N 3.21Å; Y492-V494 PolarHBondContact O-N 3.46Å; Y492-V514 HydrophobicContact CD1-CG1 4.24Å; Y492-P519 HydrophobicContact CD1-CG 3.61Å; Y492-P519 HydrophobicContact CD2-CG 3.79Å; Y492-P519 HydrophobicContact CE1-CG 3.33Å; Y492-P519 HydrophobicContact CE2-CG 3.53Å; Y492-P519 HydrophobicContact CG-CG 3.83Å
493	N	84	Confident	79.9	Confident	42 Å²	42	37.3 Å²	37.3	23%	0.225	20%	0.195	C	C	.	.			trans	-86.2	85.2	174	-170.3	11.5	0	0	0	109.9	V514 R515	N493-V514 WeakPolarHBondContact O-CA 3.1Å; N493-R515 HydrophobicContact CB-CB 4.17Å; N493-R515 PolarHBondContact O-N 2.9Å
494	V	85.4	Confident	80.7	Confident	9 Å²	9	39.2 Å²	39.2	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.9	-178.2	-176.6	0	0	0	0	110.2	I467 T468 P488 Y492 I512 V513 V514 L559	I467-V494 HydrophobicContact CG2-CG2 3.63Å; T468-V494 HydrophobicContact CG2-CG2 4.36Å; P488-V494 HydrophobicContact CB-CB 4.25Å; P488-V494 HydrophobicContact CB-CG2 4.01Å; P488-V494 HydrophobicContact CG-CB 3.97Å; P488-V494 HydrophobicContact CG-CG2 4.17Å; Y492-V494 PolarHBondContact O-N 3.46Å; V494-I512 HydrophobicContact CG1-CG2 3.51Å; V494-V513 WeakPolarHBondContact CA-O 3.49Å; V494-V514 HydrophobicContact CG2-CG2 4.26Å; V494-L559 HydrophobicContact CG1-CD2 4.41Å
495	T	84.2	Confident	80.7	Confident	17 Å²	17	47 Å²	47	10%	0.104	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.4	170.9	56.8	0	0	0	0	110.2	V513	T495-V513 PolarHBondContact N-O 2.91Å; T495-V513 PolarHBondContact O-N 3.43Å; T495-V513 VanDerWaalsContact O-O 3.09Å; T495-V513 WeakPolarHBondContact OG1-CG2 3.5Å
496	V	85.1	Confident	80.9	Confident	10 Å²	10	50.2 Å²	50.2	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.8	175.5	179.3	0	0	0	0	107.9	L504 N511 I512 L553 L559	V496-L504 HydrophobicContact CG1-CD1 4.33Å; V496-L504 PolarHBondContact O-N 3.1Å; V496-N511 WeakPolarHBondContact CA-O 3.34Å; V496-I512 HydrophobicContact CG2-CG1 4.47Å; V496-L553 HydrophobicContact CG2-CD1 3.86Å; V496-L553 HydrophobicContact CG2-CG 3.8Å; V496-L559 HydrophobicContact CG2-CD1 4.48Å
497	I	84.6	Confident	80.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.5	-177.1	64.2	170.2	0	0	0	111.3	Q502 N511 V513 F541	I497-Q502 WeakPolarHBondContact CA-O 3.39Å; I497-N511 HydrophobicContact CG1-CB 4.47Å; I497-N511 PolarHBondContact N-O 3.48Å; I497-N511 PolarHBondContact O-N 3.38Å; I497-V513 HydrophobicContact CB-CG2 4.43Å; I497-V513 HydrophobicContact CD1-CB 4.37Å; I497-V513 HydrophobicContact CD1-CG1 3.73Å; I497-V513 HydrophobicContact CD1-CG2 3.82Å; I497-V513 HydrophobicContact CG1-CB 4.47Å; I497-V513 HydrophobicContact CG1-CG1 3.84Å; I497-V513 HydrophobicContact CG1-CG2 3.77Å; I497-V513 HydrophobicContact CG2-CG2 3.9Å; I497-F541 HydrophobicContact CD1-CB 4.15Å; I497-F541 HydrophobicContact CD1-CD1 3.39Å; I497-F541 HydrophobicContact CD1-CD2 4.08Å; I497-F541 HydrophobicContact CD1-CE1 3.64Å; I497-F541 HydrophobicContact CD1-CE2 4.31Å; I497-F541 HydrophobicContact CD1-CG 3.62Å; I497-F541 HydrophobicContact CD1-CZ 4.1Å; I497-F541 HydrophobicContact CG1-CE1 4.4Å
498	D	81	Confident	80.6	Confident	32 Å²	32	58.4 Å²	58.4	17%	0.171	29%	0.294	C	S	.	.			trans	-80.4	-176.8	164.1	62.4	21.2	0	0	0	111.9	D500 M501 Q502 L504	D498-D500 PolarHBondContact O-N 3.3Å; D498-D500 WeakPolarHBondContact OD1-CA 3.24Å; D498-D500 PolarHBondContact OD1-N 2.94Å; D498-M501 PolarHBondContact O-N 3.13Å; D498-M501 PolarHBondContact OD1-N 3.4Å; D498-Q502 PolarHBondContact N-O 3.36Å; D498-Q502 VanDerWaalsContact N-O 3.07Å; D498-Q502 PolarHBondContact OD1-N 3Å; D498-L504 HydrophobicContact CB-CD1 4.24Å; D498-L504 HydrophobicContact CB-CD2 4.04Å; D498-L504 HydrophobicContact CB-CG 4.21Å
499	D	75.4	Confident	80.3	Confident	89 Å²	89	59.7 Å²	59.7	48%	0.476	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.1	178.2	-57.9	-46.1	0	0	0	112.2	N511 R575	D499-N511 PolarHBondContact OD1-ND2 2.9Å; D499-R575 IonicContact OD1-NH1 2.97Å; D499-R575 IonicContact OD2-CZ 2.81Å; D499-R575 IonicContact OD2-NH1 3.63Å; D499-R575 PolarHBondContact OD2-NH1 2.95Å
500	D	74.8	Confident	80.3	Confident	129 Å²	129	59.8 Å²	59.8	69%	0.69	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	9	175.6	-64.9	-47.8	0	0	0	112.7	D498 Q502	D498-D500 PolarHBondContact O-N 3.3Å; D498-D500 WeakPolarHBondContact OD1-CA 3.24Å; D498-D500 PolarHBondContact OD1-N 2.94Å; D500-Q502 VanDerWaalsContact C-N 3.29Å; D500-Q502 PolarHBondContact O-N 3.19Å
501	M	75.6	Confident	80.3	Confident	98 Å²	98	59.8 Å²	59.8	48%	0.483	30%	0.3	S	S	.	.	S	Bend	trans	63.6	22.4	-178.4	-56	-173.3	-68.9	0	0	115.6	D498 F541	D498-M501 PolarHBondContact O-N 3.13Å; D498-M501 PolarHBondContact OD1-N 3.4Å; M501-F541 HydrophobicContact CG-CD1 3.99Å
502	Q	79.9	Confident	80.8	Confident	130 Å²	130	59 Å²	59	61%	0.607	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-88.9	136.8	172	-56.9	-171.7	32.4	0	0	110.9	I497 D498 D500 L504	I497-Q502 WeakPolarHBondContact CA-O 3.39Å; D498-Q502 PolarHBondContact N-O 3.36Å; D498-Q502 VanDerWaalsContact N-O 3.07Å; D498-Q502 PolarHBondContact OD1-N 3Å; D500-Q502 VanDerWaalsContact C-N 3.29Å; D500-Q502 PolarHBondContact O-N 3.19Å; Q502-L504 PolarHBondContact O-N 3.35Å
503	E	80.1	Confident	81	Confident	132 Å²	132	59 Å²	59	62%	0.617	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-66.3	124.7	173.2	-69.3	-175.4	-177.8	0	0	109.8
504	L	78.4	Confident	81.1	Confident	50 Å²	50	57 Å²	57	26%	0.262	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-82.8	152.5	-177.9	-70.2	177	0	0	0	111.9	V496 D498 Q502 T508 L509	V496-L504 HydrophobicContact CG1-CD1 4.33Å; V496-L504 PolarHBondContact O-N 3.1Å; D498-L504 HydrophobicContact CB-CD1 4.24Å; D498-L504 HydrophobicContact CB-CD2 4.04Å; D498-L504 HydrophobicContact CB-CG 4.21Å; Q502-L504 PolarHBondContact O-N 3.35Å; L504-T508 HydrophobicContact CB-CG2 4.37Å; L504-T508 HydrophobicContact CD1-CG2 4.08Å; L504-T508 HydrophobicContact CD2-CG2 4.22Å; L504-T508 HydrophobicContact CG-CG2 4.48Å; L504-L509 WeakPolarHBondContact CD1-O 3.25Å
505	K	79.2	Confident	81.1	Confident	169 Å²	169	63.1 Å²	63.1	74%	0.735	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-63.9	152.4	174.2	-67.7	-178.3	-177.4	176.8	0	110.6	R507 T508	K505-R507 PolarHBondContact O-N 3.07Å; K505-T508 VanDerWaalsContact O-CB 3.23Å; K505-T508 WeakPolarHBondContact O-CB 3.32Å; K505-T508 PolarHBondContact O-N 3.48Å; K505-T508 VanDerWaalsContact O-N 3.12Å; K505-T508 PolarHBondContact O-OG1 3.01Å
506	P	78.9	Confident	80.9	Confident	73 Å²	73	63.6 Å²	63.6	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	143	173.5	-26.7	34.4	0	0	0	111.8	T508 L553 E555	P506-T508 PolarHBondContact O-N 3.19Å; P506-L553 CarbonylContact C-O 3.58Å; P506-L553 VanDerWaalsContact CA-O 3.29Å; P506-L553 WeakPolarHBondContact CA-O 3.4Å; P506-E555 HydrophobicContact CB-CG 4.02Å; P506-E555 HydrophobicContact CG-CG 4.48Å
507	R	78.4	Confident	80.6	Confident	159 Å²	159	65.4 Å²	65.4	60%	0.6	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	16.6	-176.9	-54.2	-178.1	173.4	176.2	-1.6	115.9	K505 F552 L553 D554	K505-R507 PolarHBondContact O-N 3.07Å; R507-F552 HydrophobicContact CB-CD2 4.49Å; R507-L553 PolarHBondContact N-O 3.07Å; R507-D554 IonicContact CZ-OD1 3.28Å; R507-D554 VanDerWaalsContact CZ-OD1 3.29Å; R507-D554 IonicContact NE-OD1 2.75Å; R507-D554 PolarHBondContact NE-OD1 3.27Å; R507-D554 IonicContact NH2-OD1 2.76Å; R507-D554 PolarHBondContact NH2-OD1 2.85Å; R507-D554 IonicContact NH2-OD2 2.73Å
508	T	78.9	Confident	80.3	Confident	58 Å²	58	65.9 Å²	65.9	36%	0.356	32%	0.32	S	S	.	.			trans	-99.6	132.8	171.6	-46.4	0	0	0	0	109.9	L504 K505 P506 G510 F552	L504-T508 HydrophobicContact CB-CG2 4.37Å; L504-T508 HydrophobicContact CD1-CG2 4.08Å; L504-T508 HydrophobicContact CD2-CG2 4.22Å; L504-T508 HydrophobicContact CG-CG2 4.48Å; K505-T508 VanDerWaalsContact O-CB 3.23Å; K505-T508 WeakPolarHBondContact O-CB 3.32Å; K505-T508 PolarHBondContact O-N 3.48Å; K505-T508 VanDerWaalsContact O-N 3.12Å; K505-T508 PolarHBondContact O-OG1 3.01Å; P506-T508 PolarHBondContact O-N 3.19Å; T508-G510 PolarHBondContact O-N 2.99Å; T508-F552 VanDerWaalsContact O-CB 3.23Å; T508-F552 WeakPolarHBondContact O-CB 3.23Å
509	L	78.6	Confident	80.2	Confident	40 Å²	40	64.5 Å²	64.5	21%	0.209	31%	0.313	C	S	.	.			trans	-70.1	125.7	178	-173.9	74.4	0	0	0	110.6	L504 M562 R575	L504-L509 WeakPolarHBondContact CD1-O 3.25Å; L509-M562 HydrophobicContact CD1-CB 4.03Å; L509-M562 HydrophobicContact CD1-CG 4.01Å; L509-R575 HydrophobicContact CD2-CB 4.04Å
510	G	82.4	Confident	80.3	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	-171.3	173.8	0	0	0	0	0	112.9	T508 A550 G551	T508-G510 PolarHBondContact O-N 2.99Å; G510-A550 CarbonylContact O-C 3.56Å; G510-A550 VanDerWaalsContact O-CA 3.25Å; G510-A550 WeakPolarHBondContact O-CA 3.3Å; G510-G551 PolarHBondContact N-O 2.83Å; G510-G551 PolarHBondContact O-N 3.29Å
511	N	83.6	Confident	80.2	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.2	174.2	-57.8	-66.6	0	0	0	109.2	V496 I497 D499 F541 S565	V496-N511 WeakPolarHBondContact CA-O 3.34Å; I497-N511 HydrophobicContact CG1-CB 4.47Å; I497-N511 PolarHBondContact N-O 3.48Å; I497-N511 PolarHBondContact O-N 3.38Å; D499-N511 PolarHBondContact OD1-ND2 2.9Å; N511-F541 HydrophobicContact CB-CE2 4.22Å; N511-F541 HydrophobicContact CB-CZ 4.23Å; N511-S565 PolarHBondContact OD1-OG 2.95Å; N511-S565 VanDerWaalsContact OD1-OG 3.12Å
512	I	86.2	Confident	80.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.6	176.8	-54.9	166.9	0	0	0	107.5	W457 V494 V496 T547 D549 L559 I561	W457-I512 HydrophobicContact CH2-CB 4.4Å; W457-I512 HydrophobicContact CH2-CD1 4.48Å; W457-I512 HydrophobicContact CH2-CG2 3.67Å; W457-I512 HydrophobicContact CZ3-CG2 4.02Å; V494-I512 HydrophobicContact CG1-CG2 3.51Å; V496-I512 HydrophobicContact CG2-CG1 4.47Å; I512-T547 WeakPolarHBondContact O-CB 3.31Å; I512-T547 WeakPolarHBondContact O-CG2 3.34Å; I512-T547 PolarHBondContact O-N 3.48Å; I512-T547 PolarHBondContact O-OG1 3.31Å; I512-D549 WeakPolarHBondContact CB-O 3.47Å; I512-D549 HydrophobicContact CD1-CB 4.2Å; I512-D549 PolarHBondContact N-O 3.43Å; I512-L559 HydrophobicContact CD1-CD1 4.09Å; I512-L559 HydrophobicContact CD1-CD2 4.25Å; I512-L559 HydrophobicContact CD1-CG 4.45Å; I512-L559 HydrophobicContact CG1-CD1 4.26Å; I512-L559 HydrophobicContact CG2-CD1 4.45Å; I512-L559 HydrophobicContact CG2-CD2 4.3Å; I512-I561 HydrophobicContact CD1-CG1 4.12Å
513	V	86.4	Confident	80.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.8	179.4	-61.9	0	0	0	0	110.8	V494 T495 I497 F541 Y544 Y545	V494-V513 WeakPolarHBondContact CA-O 3.49Å; T495-V513 PolarHBondContact N-O 2.91Å; T495-V513 PolarHBondContact O-N 3.43Å; T495-V513 VanDerWaalsContact O-O 3.09Å; T495-V513 WeakPolarHBondContact OG1-CG2 3.5Å; I497-V513 HydrophobicContact CB-CG2 4.43Å; I497-V513 HydrophobicContact CD1-CB 4.37Å; I497-V513 HydrophobicContact CD1-CG1 3.73Å; I497-V513 HydrophobicContact CD1-CG2 3.82Å; I497-V513 HydrophobicContact CG1-CB 4.47Å; I497-V513 HydrophobicContact CG1-CG1 3.84Å; I497-V513 HydrophobicContact CG1-CG2 3.77Å; I497-V513 HydrophobicContact CG2-CG2 3.9Å; V513-F541 HydrophobicContact CG1-CD2 3.84Å; V513-F541 HydrophobicContact CG1-CE2 4.19Å; V513-F541 HydrophobicContact CG1-CG 4.44Å; V513-Y544 HydrophobicContact CB-CD1 4.21Å; V513-Y544 HydrophobicContact CB-CG 4.33Å; V513-Y544 HydrophobicContact CG2-CD1 3.61Å; V513-Y544 HydrophobicContact CG2-CE1 4.2Å; V513-Y544 HydrophobicContact CG2-CG 4Å; V513-Y545 WeakPolarHBondContact CA-O 3.44Å
514	V	86.1	Confident	79.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	175.8	-174.2	0	0	0	0	109.2	I467 Y492 N493 V494 L518 Y544 Y545 T547	I467-V514 HydrophobicContact CG2-CG2 4.46Å; Y492-V514 HydrophobicContact CD1-CG1 4.24Å; N493-V514 WeakPolarHBondContact O-CA 3.1Å; V494-V514 HydrophobicContact CG2-CG2 4.26Å; V514-L518 HydrophobicContact CB-CD2 4.07Å; V514-L518 HydrophobicContact CG1-CD2 3.74Å; V514-Y544 CarbonylContact O-C 3.6Å; V514-Y544 WeakPolarHBondContact O-CA 3.33Å; V514-Y545 HydrophobicContact CB-CD1 4.26Å; V514-Y545 HydrophobicContact CG2-CD1 4.2Å; V514-Y545 PolarHBondContact N-O 2.91Å; V514-Y545 PolarHBondContact O-N 2.89Å; V514-T547 HydrophobicContact CG2-CG2 3.99Å
515	R	84.6	Confident	79.8	Confident	138 Å²	138	38.6 Å²	38.6	52%	0.521	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137.3	177.8	-172.3	173.9	175.1	-179.9	-0.5	111	N493 Y544	N493-R515 HydrophobicContact CB-CB 4.17Å; N493-R515 PolarHBondContact O-N 2.9Å; R515-Y544 HydrophobicContact CB-CD1 4.03Å; R515-Y544 HydrophobicContact CB-CE1 3.83Å; R515-Y544 HydrophobicContact CG-CD1 4.48Å; R515-Y544 HydrophobicContact CG-CE1 4.06Å
516	L	81.7	Confident	79.9	Confident	27 Å²	27	30.8 Å²	30.8	14%	0.141	16%	0.156	C	C	.	.	S	Bend	trans	-78.4	151.8	179.3	-59.9	178.4	0	0	0	112.9	P108 L518 F538 G543	P108-L516 HydrophobicContact CB-CD1 4.29Å; L516-L518 HydrophobicContact CD2-CD2 4.5Å; L516-L518 HydrophobicContact CD2-CG 3.88Å; L516-F538 HydrophobicContact CD1-CD1 3.79Å; L516-F538 HydrophobicContact CD1-CE1 3.76Å; L516-F538 HydrophobicContact CD2-CD1 4.43Å; L516-F538 HydrophobicContact CD2-CE1 3.66Å; L516-F538 HydrophobicContact CG-CE1 4.31Å; L516-G543 WeakPolarHBondContact CG-O 3.39Å; L516-G543 PolarHBondContact N-O 3.1Å
517	P	77.4	Confident	79.9	Confident	48 Å²	48	29.3 Å²	29.3	31%	0.312	14%	0.141	S	C	.	.	S	Bend	cis	-78.1	147.9	2.4	31.6	-35	0	0	0	113.6	L103 P111	L103-P517 HydrophobicContact CD2-CG 4.29Å; P111-P517 HydrophobicContact CB-CB 4.1Å; P111-P517 HydrophobicContact CG-CB 4.35Å
518	L	78.5	Confident	79.8	Confident	10 Å²	10	28.1 Å²	28.1	5%	0.052	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-64.9	147.3	170.9	-72.8	176.4	0	0	0	110.9	W113 V514 L516 A522 Y545	W113-L518 WeakPolarHBondContact CZ2-O 3.43Å; W113-L518 PolarHBondContact NE1-O 3.29Å; V514-L518 HydrophobicContact CB-CD2 4.07Å; V514-L518 HydrophobicContact CG1-CD2 3.74Å; L516-L518 HydrophobicContact CD2-CD2 4.5Å; L516-L518 HydrophobicContact CD2-CG 3.88Å; L518-A522 HydrophobicContact CB-CB 3.72Å; L518-A522 HydrophobicContact CD1-CB 3.95Å; L518-A522 HydrophobicContact CG-CB 4.43Å; L518-Y545 HydrophobicContact CD1-CD2 4.01Å; L518-Y545 HydrophobicContact CD1-CG 4.03Å; L518-Y545 HydrophobicContact CD2-CD1 4.27Å; L518-Y545 HydrophobicContact CD2-CG 4.14Å
519	P	78.3	Confident	79.8	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.019	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-68	164.9	-178.9	29.5	-35.3	0	0	0	112.3	W86 M328 G491 Y492 A522	W86-P519 HydrophobicContact CZ2-CB 4.18Å; M328-P519 HydrophobicContact CE-CB 3.64Å; M328-P519 HydrophobicContact CE-CG 4.02Å; G491-P519 WeakPolarHBondContact O-CD 3.26Å; Y492-P519 HydrophobicContact CD1-CG 3.61Å; Y492-P519 HydrophobicContact CD2-CG 3.79Å; Y492-P519 HydrophobicContact CE1-CG 3.33Å; Y492-P519 HydrophobicContact CE2-CG 3.53Å; Y492-P519 HydrophobicContact CG-CG 3.83Å; P519-A522 WeakPolarHBondContact O-CB 3.23Å; P519-A522 PolarHBondContact O-N 2.96Å
520	P	78.6	Confident	79.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	142.3	178.5	23	-33.1	0	0	0	111.5	W86 W113 F114 M328	W86-P520 HydrophobicContact CB-CG 4.49Å; W86-P520 HydrophobicContact CD2-CG 3.38Å; W86-P520 VanDerWaalsContact CE2-CD 3.46Å; W86-P520 HydrophobicContact CE3-CG 3.59Å; W86-P520 HydrophobicContact CG-CG 3.79Å; W86-P520 HydrophobicContact CH2-CG 4.27Å; W86-P520 HydrophobicContact CZ2-CG 4.07Å; W86-P520 HydrophobicContact CZ3-CG 4.03Å; W113-P520 HydrophobicContact CB-CB 4.39Å; W113-P520 HydrophobicContact CD2-CB 3.97Å; W113-P520 HydrophobicContact CD2-CG 4.42Å; W113-P520 HydrophobicContact CE3-CB 4.36Å; W113-P520 HydrophobicContact CE3-CG 4.47Å; W113-P520 HydrophobicContact CG-CB 3.98Å; F114-P520 HydrophobicContact CE2-CB 4.14Å; M328-P520 WeakPolarHBondContact CB-O 3.06Å; M328-P520 HydrophobicContact CE-CG 4.41Å; M328-P520 WeakPolarHBondContact CE-O 3.5Å
521	G	71.6	Confident	79.5	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-2.1	-177.3	0	0	0	0	0	114.8	R320 D321 G324	R320-G521 WeakPolarHBondContact CD-O 3.44Å; R320-G521 PolarHBondContact NH1-O 3.22Å; D321-G521 WeakPolarHBondContact OD1-CA 3.42Å; G324-G521 VanDerWaalsContact C-N 3.34Å
522	A	77.7	Confident	79.2	Confident	11 Å²	11	40 Å²	40	9%	0.091	19%	0.194	C	C	.	.	S	Bend	trans	-66.3	161	165.6	0	0	0	0	0	111.7	L518 P519 L524	L518-A522 HydrophobicContact CB-CB 3.72Å; L518-A522 HydrophobicContact CD1-CB 3.95Å; L518-A522 HydrophobicContact CG-CB 4.43Å; P519-A522 WeakPolarHBondContact O-CB 3.23Å; P519-A522 PolarHBondContact O-N 2.96Å; A522-L524 PolarHBondContact O-N 3.19Å
523	A	75.6	Confident	78.8	Confident	11 Å²	11	40 Å²	40	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.6	-176.9	0	0	0	0	0	111.2	V318 E462 F533	V318-A523 HydrophobicContact CG1-CB 3.29Å; E462-A523 WeakPolarHBondContact O-CB 3.49Å; E462-A523 PolarHBondContact O-N 2.93Å; A523-F533 HydrophobicContact CB-CE2 4.24Å; A523-F533 HydrophobicContact CB-CZ 4.28Å
524	L	73.7	Confident	78.4	Confident	42 Å²	42	43.5 Å²	43.5	22%	0.22	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-45.2	177.3	-72.8	176.1	0	0	0	111.4	F110 V319 D321 A522	F110-L524 WeakPolarHBondContact CD1-O 3.42Å; F110-L524 VanDerWaalsContact CE1-O 3.23Å; F110-L524 WeakPolarHBondContact CE1-O 3.47Å; V319-L524 PolarHBondContact O-N 2.75Å; D321-L524 HydrophobicContact CB-CD1 3.63Å; D321-L524 HydrophobicContact CB-CD2 4.09Å; D321-L524 HydrophobicContact CB-CG 3.82Å; A522-L524 PolarHBondContact O-N 3.19Å
525	S	79.4	Confident	78.2	Confident	18 Å²	18	48.5 Å²	48.5	13%	0.126	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	175.8	-178.6	57	0	0	0	0	111.2	V319	V319-S525 WeakPolarHBondContact CB-O 3.38Å; V319-S525 PolarHBondContact N-O 3.03Å
526	L	81.3	Confident	77.8	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.7	160.7	-59.2	173.1	0	0	0	109.6	K316 G317 V318 Q528 N529 L532 F533 L536	K316-L526 HydrophobicContact CB-CD2 4.15Å; G317-L526 CarbonylContact O-C 3.51Å; G317-L526 WeakPolarHBondContact O-CA 3.41Å; V318-L526 HydrophobicContact CB-CD2 4.47Å; V318-L526 HydrophobicContact CG2-CD2 3.68Å; L526-Q528 PolarHBondContact O-N 3.47Å; L526-N529 HydrophobicContact CB-CB 4.47Å; L526-N529 WeakPolarHBondContact CB-O 3.48Å; L526-N529 CarbonylContact O-C 3.58Å; L526-N529 PolarHBondContact O-N 3.09Å; L526-L532 HydrophobicContact CD1-CB 4.22Å; L526-L532 HydrophobicContact CD1-CD2 4.02Å; L526-L532 HydrophobicContact CD1-CG 4.02Å; L526-F533 HydrophobicContact CD1-CB 4.2Å; L526-F533 HydrophobicContact CD2-CD2 4.46Å; L526-F533 HydrophobicContact CG-CB 3.99Å; L526-F533 HydrophobicContact CG-CD2 3.98Å; L526-F533 HydrophobicContact CG-CG 4.43Å; L526-L536 HydrophobicContact CD1-CD1 4.38Å
527	W	78.6	Confident	77.7	Confident	42 Å²	42	42.8 Å²	42.8	16%	0.159	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	120.6	179.8	-176	-103	0	0	0	110.1	L179 H222 V305 G317 V319 N529	L179-W527 HydrophobicContact CD1-CH2 4.15Å; L179-W527 HydrophobicContact CD1-CZ2 3.83Å; H222-W527 AromaticContact CE1-CD1 3.67Å; H222-W527 PolarHBondContact CE1-O 2.95Å; H222-W527 AromaticContact ND1-CD1 3.7Å; V305-W527 HydrophobicContact CG1-CB 3.94Å; V305-W527 HydrophobicContact CG1-CG 4.23Å; V305-W527 HydrophobicContact CG2-CD2 4.02Å; V305-W527 HydrophobicContact CG2-CE3 3.55Å; V305-W527 HydrophobicContact CG2-CZ3 3.94Å; G317-W527 WeakPolarHBondContact O-CB 3.33Å; G317-W527 PolarHBondContact O-N 3.32Å; V319-W527 HydrophobicContact CG2-CB 4.02Å; V319-W527 HydrophobicContact CG2-CE3 3.87Å; W527-N529 PolarHBondContact O-N 3.39Å
528	Q	76.8	Confident	77.8	Confident	134 Å²	134	41.2 Å²	41.2	63%	0.626	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	13.8	-177.8	-59.7	178.7	2	0	0	115.1	L526	L526-Q528 PolarHBondContact O-N 3.47Å
529	N	78.8	Confident	77.9	Confident	62 Å²	62	44.5 Å²	44.5	33%	0.332	23%	0.225	S	C	.	.			trans	-147.6	72.1	-178.5	-158.4	-17.8	0	0	0	114	L526 W527 H531 L532	L526-N529 HydrophobicContact CB-CB 4.47Å; L526-N529 WeakPolarHBondContact CB-O 3.48Å; L526-N529 CarbonylContact O-C 3.58Å; L526-N529 PolarHBondContact O-N 3.09Å; W527-N529 PolarHBondContact O-N 3.39Å; N529-H531 VanDerWaalsContact C-N 3.34Å; N529-H531 PolarHBondContact O-N 3.26Å; N529-L532 HydrophobicContact CB-CB 4.35Å; N529-L532 VanDerWaalsContact CG-CB 3.42Å; N529-L532 VanDerWaalsContact OD1-CB 3.22Å; N529-L532 WeakPolarHBondContact OD1-CB 3.18Å; N529-L532 PolarHBondContact OD1-N 2.89Å; N529-L532 VanDerWaalsContact OD1-N 3.1Å
530	Q	76.7	Confident	77.8	Confident	119 Å²	119	49.3 Å²	49.3	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-68.4	-30.6	177.5	-69.5	179.9	-13.8	0	0	113.4	F110 F533 K534	F110-Q530 HydrophobicContact CZ-CB 4.19Å; F110-Q530 HydrophobicContact CZ-CG 4.47Å; Q530-F533 WeakPolarHBondContact O-CB 3.24Å; Q530-F533 PolarHBondContact O-N 3.23Å; Q530-K534 PolarHBondContact O-N 2.87Å
531	H	78.6	Confident	77.8	Confident	138 Å²	138	49.4 Å²	49.4	64%	0.639	25%	0.246	S	C	*	.	H	α-helix	trans	-64.8	-47.8	179.9	-174.6	-82.1	0	0	0	111.4	N529 F533 K534 E535	N529-H531 VanDerWaalsContact C-N 3.34Å; N529-H531 PolarHBondContact O-N 3.26Å; H531-F533 PolarHBondContact O-N 3.38Å; H531-K534 PolarHBondContact O-N 3.24Å; H531-K534 VanDerWaalsContact O-N 3.13Å; H531-E535 IonicContact CE1-OE2 4Å; H531-E535 IonicContact ND1-OE2 2.64Å; H531-E535 PolarHBondContact ND1-OE2 3.41Å; H531-E535 WeakPolarHBondContact O-CB 3.25Å; H531-E535 PolarHBondContact O-N 3.48Å
532	L	76.4	Confident	78.3	Confident	30 Å²	30	53.5 Å²	53.5	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-32.2	178.1	-176.3	64.6	0	0	0	112	L526 N529 E535 L536	L526-L532 HydrophobicContact CD1-CB 4.22Å; L526-L532 HydrophobicContact CD1-CD2 4.02Å; L526-L532 HydrophobicContact CD1-CG 4.02Å; N529-L532 HydrophobicContact CB-CB 4.35Å; N529-L532 VanDerWaalsContact CG-CB 3.42Å; N529-L532 VanDerWaalsContact OD1-CB 3.22Å; N529-L532 WeakPolarHBondContact OD1-CB 3.18Å; N529-L532 PolarHBondContact OD1-N 2.89Å; N529-L532 VanDerWaalsContact OD1-N 3.1Å; L532-E535 PolarHBondContact O-N 3.09Å; L532-L536 HydrophobicContact CD1-CD1 3.8Å; L532-L536 HydrophobicContact CD1-CD2 4.37Å; L532-L536 HydrophobicContact CD1-CG 3.84Å; L532-L536 HydrophobicContact CD2-CD1 4.27Å; L532-L536 HydrophobicContact CG-CD1 3.63Å; L532-L536 HydrophobicContact CG-CG 4.12Å; L532-L536 VanDerWaalsContact O-CB 3.3Å; L532-L536 WeakPolarHBondContact O-CB 3.11Å; L532-L536 WeakPolarHBondContact O-CD1 3Å; L532-L536 WeakPolarHBondContact O-CG 3.25Å; L532-L536 PolarHBondContact O-N 2.99Å
533	F	77.3	Confident	78.4	Confident	2 Å²	2	55 Å²	55	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-45.9	175.2	-174.5	-108.5	0	0	0	111.8	F110 A523 L526 Q530 H531 Y537 F538	F110-F533 HydrophobicContact CD1-CE1 4.45Å; F110-F533 AromaticContact CE1-CD1 3.62Å; F110-F533 HydrophobicContact CE1-CD1 3.62Å; F110-F533 AromaticContact CE1-CE1 3.95Å; F110-F533 HydrophobicContact CE1-CE1 3.95Å; F110-F533 HydrophobicContact CZ-CD1 4.28Å; A523-F533 HydrophobicContact CB-CE2 4.24Å; A523-F533 HydrophobicContact CB-CZ 4.28Å; L526-F533 HydrophobicContact CD1-CB 4.2Å; L526-F533 HydrophobicContact CD2-CD2 4.46Å; L526-F533 HydrophobicContact CG-CB 3.99Å; L526-F533 HydrophobicContact CG-CD2 3.98Å; L526-F533 HydrophobicContact CG-CG 4.43Å; Q530-F533 WeakPolarHBondContact O-CB 3.24Å; Q530-F533 PolarHBondContact O-N 3.23Å; H531-F533 PolarHBondContact O-N 3.38Å; F533-Y537 AromaticContact CD2-CD2 3.49Å; F533-Y537 HydrophobicContact CD2-CD2 3.49Å; F533-Y537 VanDerWaalsContact CD2-CD2 3.49Å; F533-Y537 AromaticContact CD2-CE2 3.64Å; F533-Y537 HydrophobicContact CD2-CE2 3.64Å; F533-Y537 AromaticContact CE2-CD2 3.63Å; F533-Y537 HydrophobicContact CE2-CD2 3.63Å; F533-Y537 AromaticContact CE2-CE2 3.85Å; F533-Y537 HydrophobicContact CE2-CE2 3.85Å; F533-Y537 HydrophobicContact CG-CD2 4.24Å; F533-Y537 HydrophobicContact CZ-CD2 4.49Å; F533-Y537 WeakPolarHBondContact O-CD2 3.36Å; F533-Y537 PolarHBondContact O-N 3.17Å; F533-F538 AromaticContact CD1-CE2 3.9Å; F533-F538 HydrophobicContact CD1-CE2 3.9Å; F533-F538 HydrophobicContact CE1-CD2 4.45Å; F533-F538 AromaticContact CE1-CE2 3.44Å; F533-F538 HydrophobicContact CE1-CE2 3.44Å; F533-F538 VanDerWaalsContact CE1-CE2 3.44Å; F533-F538 HydrophobicContact CE1-CZ 4.04Å; F533-F538 AromaticContact CZ-CE2 3.84Å; F533-F538 HydrophobicContact CZ-CE2 3.84Å; F533-F538 HydrophobicContact CZ-CZ 4.32Å
534	K	79.7	Confident	78.8	Confident	73 Å²	73	56.5 Å²	56.5	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-47.6	174.7	-66.1	-164.3	170.8	-174.7	0	111.4	D107 V109 F110 Q530 H531 L536 F538 S539	D107-K534 WeakPolarHBondContact OD2-CE 3.38Å; D107-K534 IonicContact OD2-NZ 3.39Å; D107-K534 PolarHBondContact OD2-NZ 2.87Å; V109-K534 HydrophobicContact CG1-CG 3.98Å; F110-K534 HydrophobicContact CE2-CD 4.33Å; F110-K534 HydrophobicContact CE2-CG 4.39Å; F110-K534 HydrophobicContact CZ-CG 4.11Å; Q530-K534 PolarHBondContact O-N 2.87Å; H531-K534 PolarHBondContact O-N 3.24Å; H531-K534 VanDerWaalsContact O-N 3.13Å; K534-L536 PolarHBondContact O-N 2.92Å; K534-F538 WeakPolarHBondContact O-CA 3.38Å; K534-F538 WeakPolarHBondContact O-CB 3.37Å; K534-F538 PolarHBondContact O-N 2.84Å; K534-S539 PolarHBondContact O-N 3.02Å
535	E	81.1	Confident	79.3	Confident	105 Å²	105	54.5 Å²	54.5	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-43.2	-176.2	-168.7	-179.1	163.6	0	0	112.7	H531 L532 S539	H531-E535 IonicContact CE1-OE2 4Å; H531-E535 IonicContact ND1-OE2 2.64Å; H531-E535 PolarHBondContact ND1-OE2 3.41Å; H531-E535 WeakPolarHBondContact O-CB 3.25Å; H531-E535 PolarHBondContact O-N 3.48Å; L532-E535 PolarHBondContact O-N 3.09Å; E535-S539 WeakPolarHBondContact CA-OG 3.32Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å
536	L	77	Confident	79.5	Confident	38 Å²	38	53.9 Å²	53.9	20%	0.199	28%	0.277	C	S	.	.	H	α-helix	trans	-75.7	-40.7	-175.5	-72.3	172	0	0	0	113.8	K316 L526 L532 K534 M548	K316-L536 HydrophobicContact CD-CD1 4.24Å; K316-L536 VanDerWaalsContact NZ-CD1 3.26Å; L526-L536 HydrophobicContact CD1-CD1 4.38Å; L532-L536 HydrophobicContact CD1-CD1 3.8Å; L532-L536 HydrophobicContact CD1-CD2 4.37Å; L532-L536 HydrophobicContact CD1-CG 3.84Å; L532-L536 HydrophobicContact CD2-CD1 4.27Å; L532-L536 HydrophobicContact CG-CD1 3.63Å; L532-L536 HydrophobicContact CG-CG 4.12Å; L532-L536 VanDerWaalsContact O-CB 3.3Å; L532-L536 WeakPolarHBondContact O-CB 3.11Å; L532-L536 WeakPolarHBondContact O-CD1 3Å; L532-L536 WeakPolarHBondContact O-CG 3.25Å; L532-L536 PolarHBondContact O-N 2.99Å; K534-L536 PolarHBondContact O-N 2.92Å; L536-M548 HydrophobicContact CB-CE 4.38Å; L536-M548 WeakPolarHBondContact O-CE 3.44Å
537	Y	78.4	Confident	79.5	Confident	6 Å²	6	53.9 Å²	53.9	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-108.2	-18.3	-168	-59.9	-74.1	0	0	0	114.2	E462 F533 Y545 D546 M548	E462-Y537 HydrophobicContact CG-CD1 4.46Å; E462-Y537 HydrophobicContact CG-CE1 3.65Å; E462-Y537 HydrophobicContact CG-CE2 4.28Å; E462-Y537 VanDerWaalsContact OE1-CZ 3.32Å; E462-Y537 PolarHBondContact OE1-OH 2.94Å; F533-Y537 AromaticContact CD2-CD2 3.49Å; F533-Y537 HydrophobicContact CD2-CD2 3.49Å; F533-Y537 VanDerWaalsContact CD2-CD2 3.49Å; F533-Y537 AromaticContact CD2-CE2 3.64Å; F533-Y537 HydrophobicContact CD2-CE2 3.64Å; F533-Y537 AromaticContact CE2-CD2 3.63Å; F533-Y537 HydrophobicContact CE2-CD2 3.63Å; F533-Y537 AromaticContact CE2-CE2 3.85Å; F533-Y537 HydrophobicContact CE2-CE2 3.85Å; F533-Y537 HydrophobicContact CG-CD2 4.24Å; F533-Y537 HydrophobicContact CZ-CD2 4.49Å; F533-Y537 WeakPolarHBondContact O-CD2 3.36Å; F533-Y537 PolarHBondContact O-N 3.17Å; Y537-Y545 HydrophobicContact CD1-CD2 4.39Å; Y537-Y545 AromaticContact CD1-CE2 3.51Å; Y537-Y545 HydrophobicContact CD1-CE2 3.51Å; Y537-Y545 AromaticContact CD1-CZ 3.98Å; Y537-Y545 HydrophobicContact CE1-CE2 4.27Å; Y537-Y545 HydrophobicContact CG-CD2 4.35Å; Y537-Y545 AromaticContact CG-CE2 3.74Å; Y537-Y545 HydrophobicContact CG-CE2 3.74Å; Y537-D546 PolarHBondContact O-N 3.33Å; Y537-M548 HydrophobicContact CD1-CE 4.2Å; Y537-M548 HydrophobicContact CE1-CE 4.2Å
538	F	80.7	Confident	79.4	Confident	15 Å²	15	54.2 Å²	54.2	7%	0.066	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-15.2	-170.2	-59.1	-89.2	0	0	0	114.1	V109 L516 F533 K534 Y545	V109-F538 HydrophobicContact CB-CD1 4.36Å; V109-F538 HydrophobicContact CB-CE1 4.4Å; V109-F538 HydrophobicContact CB-CG 4.45Å; V109-F538 HydrophobicContact CG1-CB 4.5Å; V109-F538 HydrophobicContact CG1-CD1 3.98Å; V109-F538 HydrophobicContact CG1-CD2 3.51Å; V109-F538 HydrophobicContact CG1-CE1 3.97Å; V109-F538 HydrophobicContact CG1-CE2 3.57Å; V109-F538 HydrophobicContact CG1-CG 3.73Å; V109-F538 HydrophobicContact CG1-CZ 3.79Å; V109-F538 HydrophobicContact CG2-CB 4.23Å; V109-F538 HydrophobicContact CG2-CD1 3.91Å; V109-F538 HydrophobicContact CG2-CE1 4.39Å; V109-F538 HydrophobicContact CG2-CG 4.01Å; L516-F538 HydrophobicContact CD1-CD1 3.79Å; L516-F538 HydrophobicContact CD1-CE1 3.76Å; L516-F538 HydrophobicContact CD2-CD1 4.43Å; L516-F538 HydrophobicContact CD2-CE1 3.66Å; L516-F538 HydrophobicContact CG-CE1 4.31Å; F533-F538 AromaticContact CD1-CE2 3.9Å; F533-F538 HydrophobicContact CD1-CE2 3.9Å; F533-F538 HydrophobicContact CE1-CD2 4.45Å; F533-F538 AromaticContact CE1-CE2 3.44Å; F533-F538 HydrophobicContact CE1-CE2 3.44Å; F533-F538 VanDerWaalsContact CE1-CE2 3.44Å; F533-F538 HydrophobicContact CE1-CZ 4.04Å; F533-F538 AromaticContact CZ-CE2 3.84Å; F533-F538 HydrophobicContact CZ-CE2 3.84Å; F533-F538 HydrophobicContact CZ-CZ 4.32Å; K534-F538 WeakPolarHBondContact O-CA 3.38Å; K534-F538 WeakPolarHBondContact O-CB 3.37Å; K534-F538 PolarHBondContact O-N 2.84Å; F538-Y545 HydrophobicContact CE1-CD2 4.46Å; F538-Y545 HydrophobicContact CE2-CD2 4.46Å; F538-Y545 HydrophobicContact CZ-CD2 4.06Å
539	S	78.9	Confident	79.6	Confident	79 Å²	79	48.7 Å²	48.7	55%	0.552	26%	0.256	S	S	*	.	S	Bend	trans	-75.5	-31.8	-179.9	-68.6	0	0	0	0	114	K534 E535	K534-S539 PolarHBondContact O-N 3.02Å; E535-S539 WeakPolarHBondContact CA-OG 3.32Å; E535-S539 WeakPolarHBondContact O-CB 3.44Å
540	K	76.8	Confident	79.6	Confident	104 Å²	104	45.7 Å²	45.7	45%	0.452	24%	0.24	S	C	.	.	S	Bend	trans	-71.6	-39.2	-176	-168.2	-179	175.7	-168.9	0	112.3	D546	K540-D546 WeakPolarHBondContact CD-OD2 3.29Å
541	F	79.1	Confident	79.9	Confident	3 Å²	3	40 Å²	40	1%	0.013	21%	0.214	C	C	.	.	S	Bend	trans	-132.1	91.5	-178.8	-58.6	-63.3	0	0	0	110.1	I497 M501 N511 V513 G543 Y544 D546	I497-F541 HydrophobicContact CD1-CB 4.15Å; I497-F541 HydrophobicContact CD1-CD1 3.39Å; I497-F541 HydrophobicContact CD1-CD2 4.08Å; I497-F541 HydrophobicContact CD1-CE1 3.64Å; I497-F541 HydrophobicContact CD1-CE2 4.31Å; I497-F541 HydrophobicContact CD1-CG 3.62Å; I497-F541 HydrophobicContact CD1-CZ 4.1Å; I497-F541 HydrophobicContact CG1-CE1 4.4Å; M501-F541 HydrophobicContact CG-CD1 3.99Å; N511-F541 HydrophobicContact CB-CE2 4.22Å; N511-F541 HydrophobicContact CB-CZ 4.23Å; V513-F541 HydrophobicContact CG1-CD2 3.84Å; V513-F541 HydrophobicContact CG1-CE2 4.19Å; V513-F541 HydrophobicContact CG1-CG 4.44Å; F541-G543 PolarHBondContact O-N 2.8Å; F541-Y544 PolarHBondContact O-N 3.01Å; F541-Y544 VanDerWaalsContact O-O 3.12Å; F541-D546 HydrophobicContact CD2-CB 4.04Å
542	P	81.3	Confident	80.1	Confident	87 Å²	87	35.7 Å²	35.7	57%	0.565	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	129.4	-179.7	-26.2	34.7	0	0	0	112.4	Y544	P542-Y544 VanDerWaalsContact C-N 3.31Å
543	G	79.8	Confident	80.4	Confident	44 Å²	44	36.1 Å²	36.1	45%	0.454	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-2	-178.6	0	0	0	0	0	115.1	L516 F541	L516-G543 WeakPolarHBondContact CG-O 3.39Å; L516-G543 PolarHBondContact N-O 3.1Å; F541-G543 PolarHBondContact O-N 2.8Å
544	Y	83.6	Confident	80.6	Confident	41 Å²	41	36.9 Å²	36.9	16%	0.161	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.3	175.8	-64.2	-86	0	0	0	111.4	V513 V514 R515 F541 P542	V513-Y544 HydrophobicContact CB-CD1 4.21Å; V513-Y544 HydrophobicContact CB-CG 4.33Å; V513-Y544 HydrophobicContact CG2-CD1 3.61Å; V513-Y544 HydrophobicContact CG2-CE1 4.2Å; V513-Y544 HydrophobicContact CG2-CG 4Å; V514-Y544 CarbonylContact O-C 3.6Å; V514-Y544 WeakPolarHBondContact O-CA 3.33Å; R515-Y544 HydrophobicContact CB-CD1 4.03Å; R515-Y544 HydrophobicContact CB-CE1 3.83Å; R515-Y544 HydrophobicContact CG-CD1 4.48Å; R515-Y544 HydrophobicContact CG-CE1 4.06Å; F541-Y544 PolarHBondContact O-N 3.01Å; F541-Y544 VanDerWaalsContact O-O 3.12Å; P542-Y544 VanDerWaalsContact C-N 3.31Å
545	Y	84.2	Confident	80.6	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.4	164.5	168.8	-101	0	0	0	108.4	Q459 E462 T463 V513 V514 L518 Y537 F538 T547	Q459-Y545 PolarHBondContact OE1-OH 3.44Å; Q459-Y545 VanDerWaalsContact OE1-OH 3.04Å; E462-Y545 HydrophobicContact CB-CE2 4.21Å; E462-Y545 WeakPolarHBondContact CB-OH 3.43Å; E462-Y545 VanDerWaalsContact CG-OH 3.25Å; E462-Y545 WeakPolarHBondContact CG-OH 3.36Å; T463-Y545 HydrophobicContact CG2-CE1 4.29Å; V513-Y545 WeakPolarHBondContact CA-O 3.44Å; V514-Y545 HydrophobicContact CB-CD1 4.26Å; V514-Y545 HydrophobicContact CG2-CD1 4.2Å; V514-Y545 PolarHBondContact N-O 2.91Å; V514-Y545 PolarHBondContact O-N 2.89Å; L518-Y545 HydrophobicContact CD1-CD2 4.01Å; L518-Y545 HydrophobicContact CD1-CG 4.03Å; L518-Y545 HydrophobicContact CD2-CD1 4.27Å; L518-Y545 HydrophobicContact CD2-CG 4.14Å; Y537-Y545 HydrophobicContact CD1-CD2 4.39Å; Y537-Y545 AromaticContact CD1-CE2 3.51Å; Y537-Y545 HydrophobicContact CD1-CE2 3.51Å; Y537-Y545 AromaticContact CD1-CZ 3.98Å; Y537-Y545 HydrophobicContact CE1-CE2 4.27Å; Y537-Y545 HydrophobicContact CG-CD2 4.35Å; Y537-Y545 AromaticContact CG-CE2 3.74Å; Y537-Y545 HydrophobicContact CG-CE2 3.74Å; F538-Y545 HydrophobicContact CE1-CD2 4.46Å; F538-Y545 HydrophobicContact CE2-CD2 4.46Å; F538-Y545 HydrophobicContact CZ-CD2 4.06Å; Y545-T547 HydrophobicContact CD1-CG2 3.89Å; Y545-T547 HydrophobicContact CE1-CG2 3.79Å; Y545-T547 PolarHBondContact O-N 3.49Å
546	D	84.1	Confident	80.1	Confident	5 Å²	5	41 Å²	41	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.5	174.3	-172.5	6.8	0	0	0	109.7	Y537 K540 F541 M548	Y537-D546 PolarHBondContact O-N 3.33Å; K540-D546 WeakPolarHBondContact CD-OD2 3.29Å; F541-D546 HydrophobicContact CD2-CB 4.04Å; D546-M548 PolarHBondContact O-N 2.89Å; D546-M548 PolarHBondContact OD1-N 2.79Å
547	T	80.6	Confident	80	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-16.7	175	74.6	0	0	0	0	111.2	W457 Q459 I512 V514 Y545 D549	W457-T547 HydrophobicContact CH2-CG2 3.91Å; W457-T547 HydrophobicContact CZ2-CG2 4.4Å; Q459-T547 PolarHBondContact NE2-O 3.49Å; Q459-T547 PolarHBondContact OE1-O 2.78Å; I512-T547 WeakPolarHBondContact O-CB 3.31Å; I512-T547 WeakPolarHBondContact O-CG2 3.34Å; I512-T547 PolarHBondContact O-N 3.48Å; I512-T547 PolarHBondContact O-OG1 3.31Å; V514-T547 HydrophobicContact CG2-CG2 3.99Å; Y545-T547 HydrophobicContact CD1-CG2 3.89Å; Y545-T547 HydrophobicContact CE1-CG2 3.79Å; Y545-T547 PolarHBondContact O-N 3.49Å; T547-D549 PolarHBondContact O-N 3.11Å; T547-D549 PolarHBondContact OG1-N 3.03Å
548	M	77.8	Confident	80.2	Confident	50 Å²	50	41 Å²	41	25%	0.246	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	15.4	-171	-46	179.8	175.9	0	0	113.7	L536 Y537 D546 S565	L536-M548 HydrophobicContact CB-CE 4.38Å; L536-M548 WeakPolarHBondContact O-CE 3.44Å; Y537-M548 HydrophobicContact CD1-CE 4.2Å; Y537-M548 HydrophobicContact CE1-CE 4.2Å; D546-M548 PolarHBondContact O-N 2.89Å; D546-M548 PolarHBondContact OD1-N 2.79Å; M548-S565 PolarHBondContact O-N 2.85Å; M548-S565 PolarHBondContact O-OG 3.37Å
549	D	80.1	Confident	80.4	Confident	17 Å²	17	40.2 Å²	40.2	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.8	172.3	-71	-37	0	0	0	110.3	W457 Q459 I512 T547 R564	W457-D549 HydrophobicContact CZ2-CB 3.96Å; W457-D549 VanDerWaalsContact CZ2-OD2 3.24Å; W457-D549 WeakPolarHBondContact CZ2-OD2 3.17Å; W457-D549 PolarHBondContact NE1-OD2 3.03Å; W457-D549 VanDerWaalsContact NE1-OD2 3.1Å; Q459-D549 PolarHBondContact NE2-OD2 2.92Å; I512-D549 WeakPolarHBondContact CB-O 3.47Å; I512-D549 HydrophobicContact CD1-CB 4.2Å; I512-D549 PolarHBondContact N-O 3.43Å; T547-D549 PolarHBondContact O-N 3.11Å; T547-D549 PolarHBondContact OG1-N 3.03Å; D549-R564 WeakPolarHBondContact OD1-CG 3.39Å
550	A	80.1	Confident	80.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.4	-179	0	0	0	0	0	111	G510 M562 S563 V568	G510-A550 CarbonylContact O-C 3.56Å; G510-A550 VanDerWaalsContact O-CA 3.25Å; G510-A550 WeakPolarHBondContact O-CA 3.3Å; A550-M562 PolarHBondContact O-N 2.68Å; A550-S563 WeakPolarHBondContact CA-O 3.36Å; A550-S563 PolarHBondContact N-O 2.82Å; A550-S563 PolarHBondContact O-N 2.83Å; A550-S563 VanDerWaalsContact O-O 3.09Å; A550-V568 HydrophobicContact CB-CG2 3.76Å
551	G	82.8	Confident	80.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-167.9	-174.7	0	0	0	0	0	112.9	G510 Y560	G510-G551 PolarHBondContact N-O 2.83Å; G510-G551 PolarHBondContact O-N 3.29Å; G551-Y560 CarbonylContact C-O 3.58Å; G551-Y560 WeakPolarHBondContact CA-O 3.45Å
552	F	82	Confident	80.3	Confident	46 Å²	46	35 Å²	35	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.7	177.2	63.9	-95.3	0	0	0	111	R507 T508 Y560 M562	R507-F552 HydrophobicContact CB-CD2 4.49Å; T508-F552 VanDerWaalsContact O-CB 3.23Å; T508-F552 WeakPolarHBondContact O-CB 3.23Å; F552-Y560 AromaticContact CD2-CD2 3.97Å; F552-Y560 HydrophobicContact CD2-CD2 3.97Å; F552-Y560 HydrophobicContact CD2-CG 4.31Å; F552-Y560 HydrophobicContact CE1-CG 4.34Å; F552-Y560 HydrophobicContact CE2-CD1 4.38Å; F552-Y560 AromaticContact CE2-CD2 3.38Å; F552-Y560 HydrophobicContact CE2-CD2 3.38Å; F552-Y560 HydrophobicContact CE2-CE2 4.05Å; F552-Y560 AromaticContact CE2-CG 3.58Å; F552-Y560 HydrophobicContact CE2-CG 3.58Å; F552-Y560 HydrophobicContact CZ-CD1 4.1Å; F552-Y560 AromaticContact CZ-CD2 3.92Å; F552-Y560 HydrophobicContact CZ-CD2 3.92Å; F552-Y560 AromaticContact CZ-CG 3.59Å; F552-Y560 HydrophobicContact CZ-CG 3.59Å; F552-Y560 PolarHBondContact N-O 2.74Å; F552-Y560 PolarHBondContact O-N 3.21Å; F552-M562 HydrophobicContact CD1-CG 4.05Å; F552-M562 HydrophobicContact CE1-CE 3.7Å; F552-M562 HydrophobicContact CE1-CG 4Å; F552-M562 HydrophobicContact CE1-SD 3.97Å; F552-M562 HydrophobicContact CZ-CE 4.26Å
553	L	83.4	Confident	79.5	Confident	39 Å²	39	31.5 Å²	31.5	20%	0.204	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.6	170.9	-73.8	165.6	0	0	0	109.4	V496 P506 R507 F558 L559	V496-L553 HydrophobicContact CG2-CD1 3.86Å; V496-L553 HydrophobicContact CG2-CG 3.8Å; P506-L553 CarbonylContact C-O 3.58Å; P506-L553 VanDerWaalsContact CA-O 3.29Å; P506-L553 WeakPolarHBondContact CA-O 3.4Å; R507-L553 PolarHBondContact N-O 3.07Å; L553-F558 WeakPolarHBondContact CA-O 3.4Å; L553-L559 HydrophobicContact CD2-CB 3.99Å; L553-L559 HydrophobicContact CD2-CD1 3.7Å; L553-L559 HydrophobicContact CD2-CG 4.46Å; L553-L559 HydrophobicContact CG-CD1 4.02Å
554	D	82.2	Confident	78.9	Confident	18 Å²	18	33 Å²	33	10%	0.096	16%	0.16	C	C	.	.			trans	-83.2	167.6	171.5	-164.3	17.6	0	0	0	111.7	R507 E556 G557 F558 Y560	R507-D554 IonicContact CZ-OD1 3.28Å; R507-D554 VanDerWaalsContact CZ-OD1 3.29Å; R507-D554 IonicContact NE-OD1 2.75Å; R507-D554 PolarHBondContact NE-OD1 3.27Å; R507-D554 IonicContact NH2-OD1 2.76Å; R507-D554 PolarHBondContact NH2-OD1 2.85Å; R507-D554 IonicContact NH2-OD2 2.73Å; D554-E556 PolarHBondContact O-N 3.4Å; D554-E556 VanDerWaalsContact O-N 3.14Å; D554-G557 WeakPolarHBondContact O-CA 3.09Å; D554-G557 PolarHBondContact O-N 3.08Å; D554-F558 PolarHBondContact N-O 2.77Å; D554-Y560 HydrophobicContact CB-CD2 4.44Å; D554-Y560 HydrophobicContact CB-CE2 3.86Å
555	E	78.4	Confident	77.8	Confident	155 Å²	155	32.2 Å²	32.2	72%	0.724	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	180	-64.7	-178.3	-178.4	0	0	112.7	P506 G557	P506-E555 HydrophobicContact CB-CG 4.02Å; P506-E555 HydrophobicContact CG-CG 4.48Å; E555-G557 VanDerWaalsContact C-N 3.3Å
556	E	71.8	Confident	76.6	Confident	109 Å²	109	36.2 Å²	36.2	51%	0.509	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.9	176.1	-64.1	-168.6	-157.5	0	0	114.1	K487 D554 F558	K487-E556 WeakPolarHBondContact CE-O 3.48Å; K487-E556 PolarHBondContact NZ-O 3.4Å; D554-E556 PolarHBondContact O-N 3.4Å; D554-E556 VanDerWaalsContact O-N 3.14Å; E556-F558 HydrophobicContact CB-CD2 3.7Å; E556-F558 HydrophobicContact CB-CE2 3.87Å; E556-F558 WeakPolarHBondContact OE2-CE2 3.22Å
557	G	75.1	Confident	75.3	Confident	27 Å²	27	37.1 Å²	37.1	28%	0.278	19%	0.187	S	C	.	.			trans	77.6	20.4	-179.6	0	0	0	0	0	114.4	P488 D554 E555	P488-G557 WeakPolarHBondContact CD-O 3.28Å; D554-G557 WeakPolarHBondContact O-CA 3.09Å; D554-G557 PolarHBondContact O-N 3.08Å; E555-G557 VanDerWaalsContact C-N 3.3Å
558	F	82.2	Confident	74.2	Confident	17 Å²	17	37.9 Å²	37.9	8%	0.075	19%	0.192	C	C	.	.			trans	-82.1	134.2	171.1	-67.8	-64.6	0	0	0	110.5	P481 Q484 K487 L553 D554 E556 Y560	P481-F558 HydrophobicContact CG-CD2 4.37Å; P481-F558 HydrophobicContact CG-CE2 4.37Å; Q484-F558 HydrophobicContact CB-CB 4.42Å; Q484-F558 VanDerWaalsContact OE1-CB 3.25Å; Q484-F558 VanDerWaalsContact OE1-CD1 3.3Å; K487-F558 HydrophobicContact CD-CD1 4.24Å; K487-F558 HydrophobicContact CD-CE1 4.01Å; K487-F558 HydrophobicContact CD-CZ 4.48Å; K487-F558 HydrophobicContact CG-CD1 3.39Å; K487-F558 HydrophobicContact CG-CE1 3.45Å; K487-F558 VanDerWaalsContact CG-CE1 3.45Å; K487-F558 HydrophobicContact CG-CG 4.29Å; K487-F558 HydrophobicContact CG-CZ 4.37Å; L553-F558 WeakPolarHBondContact CA-O 3.4Å; D554-F558 PolarHBondContact N-O 2.77Å; E556-F558 HydrophobicContact CB-CD2 3.7Å; E556-F558 HydrophobicContact CB-CE2 3.87Å; E556-F558 WeakPolarHBondContact OE2-CE2 3.22Å; F558-Y560 HydrophobicContact CB-CE2 4.13Å
559	L	83.7	Confident	73.5	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.4	-179.9	-175	68.6	0	0	0	110.4	W457 T468 A485 G486 V494 V496 I512 L553 I561	W457-L559 HydrophobicContact CE3-CD2 3.61Å; W457-L559 HydrophobicContact CH2-CD2 4.45Å; W457-L559 HydrophobicContact CZ3-CD2 3.53Å; T468-L559 HydrophobicContact CG2-CB 4.03Å; T468-L559 HydrophobicContact CG2-CD2 3.44Å; T468-L559 VanDerWaalsContact CG2-CD2 3.44Å; T468-L559 HydrophobicContact CG2-CG 4.39Å; A485-L559 PolarHBondContact N-O 2.92Å; G486-L559 PolarHBondContact O-N 2.89Å; V494-L559 HydrophobicContact CG1-CD2 4.41Å; V496-L559 HydrophobicContact CG2-CD1 4.48Å; I512-L559 HydrophobicContact CD1-CD1 4.09Å; I512-L559 HydrophobicContact CD1-CD2 4.25Å; I512-L559 HydrophobicContact CD1-CG 4.45Å; I512-L559 HydrophobicContact CG1-CD1 4.26Å; I512-L559 HydrophobicContact CG2-CD1 4.45Å; I512-L559 HydrophobicContact CG2-CD2 4.3Å; L553-L559 HydrophobicContact CD2-CB 3.99Å; L553-L559 HydrophobicContact CD2-CD1 3.7Å; L553-L559 HydrophobicContact CD2-CG 4.46Å; L553-L559 HydrophobicContact CG-CD1 4.02Å; L559-I561 HydrophobicContact CD2-CD1 4.3Å; L559-I561 HydrophobicContact CD2-CG1 4.12Å; L559-I561 HydrophobicContact CG-CG1 4.16Å
560	Y	81.8	Confident	72.2	Confident	30 Å²	30	38.9 Å²	38.9	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.7	172.3	-67	-99.9	0	0	0	109.5	P481 G483 Q484 G551 F552 D554 F558 M562	P481-Y560 WeakPolarHBondContact CB-OH 3.29Å; G483-Y560 WeakPolarHBondContact O-CD1 3.43Å; Q484-Y560 HydrophobicContact CB-CD1 4.08Å; Q484-Y560 HydrophobicContact CB-CE1 3.71Å; Q484-Y560 HydrophobicContact CB-CE2 4.16Å; Q484-Y560 HydrophobicContact CB-CG 4.48Å; G551-Y560 CarbonylContact C-O 3.58Å; G551-Y560 WeakPolarHBondContact CA-O 3.45Å; F552-Y560 AromaticContact CD2-CD2 3.97Å; F552-Y560 HydrophobicContact CD2-CD2 3.97Å; F552-Y560 HydrophobicContact CD2-CG 4.31Å; F552-Y560 HydrophobicContact CE1-CG 4.34Å; F552-Y560 HydrophobicContact CE2-CD1 4.38Å; F552-Y560 AromaticContact CE2-CD2 3.38Å; F552-Y560 HydrophobicContact CE2-CD2 3.38Å; F552-Y560 HydrophobicContact CE2-CE2 4.05Å; F552-Y560 AromaticContact CE2-CG 3.58Å; F552-Y560 HydrophobicContact CE2-CG 3.58Å; F552-Y560 HydrophobicContact CZ-CD1 4.1Å; F552-Y560 AromaticContact CZ-CD2 3.92Å; F552-Y560 HydrophobicContact CZ-CD2 3.92Å; F552-Y560 AromaticContact CZ-CG 3.59Å; F552-Y560 HydrophobicContact CZ-CG 3.59Å; F552-Y560 PolarHBondContact N-O 2.74Å; F552-Y560 PolarHBondContact O-N 3.21Å; D554-Y560 HydrophobicContact CB-CD2 4.44Å; D554-Y560 HydrophobicContact CB-CE2 3.86Å; F558-Y560 HydrophobicContact CB-CE2 4.13Å; Y560-M562 HydrophobicContact CD1-CE 4.48Å
561	I	78.1	Confident	70.9	Confident	26 Å²	26	39 Å²	39	13%	0.133	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.1	-175.4	-56.7	172.7	0	0	0	107.4	R436 W457 A485 I512 L559	R436-I561 WeakPolarHBondContact CD-O 3.41Å; R436-I561 PolarHBondContact NE-O 2.78Å; W457-I561 HydrophobicContact CB-CD1 3.16Å; W457-I561 HydrophobicContact CD2-CD1 3.2Å; W457-I561 HydrophobicContact CD2-CG1 4.4Å; W457-I561 HydrophobicContact CE3-CD1 3.78Å; W457-I561 HydrophobicContact CG-CD1 2.92Å; W457-I561 HydrophobicContact CG-CG1 4.37Å; A485-I561 HydrophobicContact CB-CD1 3.67Å; A485-I561 HydrophobicContact CB-CG1 4.14Å; I512-I561 HydrophobicContact CD1-CG1 4.12Å; L559-I561 HydrophobicContact CD2-CD1 4.3Å; L559-I561 HydrophobicContact CD2-CG1 4.12Å; L559-I561 HydrophobicContact CG-CG1 4.16Å
562	M	72.6	Confident	68.9	Low	21 Å²	21	42.4 Å²	42.4	10%	0.103	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-50.9	-168.9	-70.1	-66.8	118.5	0	0	110.6	L509 A550 F552 Y560 S577 A580	L509-M562 HydrophobicContact CD1-CB 4.03Å; L509-M562 HydrophobicContact CD1-CG 4.01Å; A550-M562 PolarHBondContact O-N 2.68Å; F552-M562 HydrophobicContact CD1-CG 4.05Å; F552-M562 HydrophobicContact CE1-CE 3.7Å; F552-M562 HydrophobicContact CE1-CG 4Å; F552-M562 HydrophobicContact CE1-SD 3.97Å; F552-M562 HydrophobicContact CZ-CE 4.26Å; Y560-M562 HydrophobicContact CD1-CE 4.48Å; M562-S577 VanDerWaalsContact CB-OG 3.32Å; M562-S577 WeakPolarHBondContact CB-OG 3.4Å; M562-S577 PolarHBondContact O-OG 2.98Å; M562-A580 HydrophobicContact SD-CB 4.31Å
563	S	64.9	Low	67	Low	12 Å²	12	43.7 Å²	43.7	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	172.8	179.4	52.1	0	0	0	0	110.1	A550 S577	A550-S563 WeakPolarHBondContact CA-O 3.36Å; A550-S563 PolarHBondContact N-O 2.82Å; A550-S563 PolarHBondContact O-N 2.83Å; A550-S563 VanDerWaalsContact O-O 3.09Å; S563-S577 WeakPolarHBondContact CB-OG 3.46Å; S563-S577 PolarHBondContact OG-OG 3.28Å
564	R	68.1	Low	65.3	Low	76 Å²	76	47 Å²	47	29%	0.287	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	155.3	163.6	-62.2	-131	-55.5	167.8	3.7	110.5	D549 D566 D567 V568	D549-R564 WeakPolarHBondContact OD1-CG 3.39Å; R564-D566 WeakPolarHBondContact CB-OD1 3.5Å; R564-D566 IonicContact CZ-OD1 3.36Å; R564-D566 IonicContact CZ-OD2 3.29Å; R564-D566 IonicContact NE-OD1 2.99Å; R564-D566 PolarHBondContact NE-OD1 2.95Å; R564-D566 IonicContact NE-OD2 3.99Å; R564-D566 VanDerWaalsContact NH2-CG 3.33Å; R564-D566 IonicContact NH2-OD1 3.8Å; R564-D566 PolarHBondContact NH2-OD1 3.14Å; R564-D566 IonicContact NH2-OD2 2.78Å; R564-D566 PolarHBondContact NH2-OD2 3.24Å; R564-D566 PolarHBondContact O-N 3.01Å; R564-D567 HydrophobicContact CB-CB 4.25Å; R564-D567 CarbonylContact O-C 3.6Å; R564-D567 PolarHBondContact O-N 3.37Å; R564-V568 PolarHBondContact O-N 3.39Å
565	S	60.3	Low	63.9	Low	24 Å²	24	49.7 Å²	49.7	17%	0.168	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.2	-25.7	177.1	-60.8	0	0	0	0	112.7	N511 M548	N511-S565 PolarHBondContact OD1-OG 2.95Å; N511-S565 VanDerWaalsContact OD1-OG 3.12Å; M548-S565 PolarHBondContact O-N 2.85Å; M548-S565 PolarHBondContact O-OG 3.37Å
566	D	58.6	Low	62.9	Low	86 Å²	86	43.3 Å²	43.3	46%	0.46	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-78.6	-20.9	172.1	62.1	-31.5	0	0	0	113.7	R564	R564-D566 WeakPolarHBondContact CB-OD1 3.5Å; R564-D566 IonicContact CZ-OD1 3.36Å; R564-D566 IonicContact CZ-OD2 3.29Å; R564-D566 IonicContact NE-OD1 2.99Å; R564-D566 PolarHBondContact NE-OD1 2.95Å; R564-D566 IonicContact NE-OD2 3.99Å; R564-D566 VanDerWaalsContact NH2-CG 3.33Å; R564-D566 IonicContact NH2-OD1 3.8Å; R564-D566 PolarHBondContact NH2-OD1 3.14Å; R564-D566 IonicContact NH2-OD2 2.78Å; R564-D566 PolarHBondContact NH2-OD2 3.24Å; R564-D566 PolarHBondContact O-N 3.01Å
567	D	56.6	Low	62.3	Low	24 Å²	24	38.5 Å²	38.5	13%	0.128	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-94.3	6.1	179.5	-70.4	-24.7	0	0	0	112.4	R564 R662	R564-D567 HydrophobicContact CB-CB 4.25Å; R564-D567 CarbonylContact O-C 3.6Å; R564-D567 PolarHBondContact O-N 3.37Å; D567-R662 IonicContact OD2-NH1 3.81Å
568	V	58.1	Low	61.8	Low	19 Å²	19	37.3 Å²	37.3	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.1	173.3	178.8	0	0	0	0	109.1	A550 R564 R575	A550-V568 HydrophobicContact CB-CG2 3.76Å; R564-V568 PolarHBondContact O-N 3.39Å; V568-R575 HydrophobicContact CG1-CB 3.92Å; V568-R575 HydrophobicContact CG1-CG 4.44Å
569	I	62.1	Low	60.7	Low	9 Å²	9	36.9 Å²	36.9	5%	0.046	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122	179.7	-54.7	174.4	0	0	0	108.2	V571 L576 A578 V596 H606 P608	I569-V571 HydrophobicContact CG2-CG2 3.87Å; I569-L576 PolarHBondContact N-O 3.41Å; I569-L576 PolarHBondContact O-N 3.24Å; I569-A578 HydrophobicContact CD1-CB 4.3Å; I569-V596 HydrophobicContact CD1-CG1 4.09Å; I569-H606 HydrophobicContact CG2-CB 3.58Å; I569-P608 HydrophobicContact CD1-CB 4.07Å
570	N	52.9	Low	59.6	Low	78 Å²	78	38 Å²	38	42%	0.417	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.2	173.2	-72.7	-27.3	0	0	0	109.7	R575 H606	N570-R575 WeakPolarHBondContact OD1-CG 3.46Å; N570-H606 PolarHBondContact O-N 3.06Å
571	V	52.6	Low	58.9	Low	3 Å²	3	36.7 Å²	36.7	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.8	176.6	-174.7	0	0	0	0	108.1	I569 G573 H574 L576 H606 A642	I569-V571 HydrophobicContact CG2-CG2 3.87Å; V571-G573 PolarHBondContact O-N 3.15Å; V571-G573 VanDerWaalsContact O-N 3.14Å; V571-H574 PolarHBondContact N-O 3.02Å; V571-H574 PolarHBondContact O-N 3.43Å; V571-L576 HydrophobicContact CB-CD1 3.92Å; V571-L576 HydrophobicContact CG2-CD1 3.68Å; V571-H606 WeakPolarHBondContact CG2-O 3.46Å; V571-A642 HydrophobicContact CG1-CB 4.03Å
572	A	41	Very low	58.5	Low	71 Å²	71	36.4 Å²	36.4	59%	0.587	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	38.6	177.3	0	0	0	0	0	114.5	K604	A572-K604 PolarHBondContact N-O 3.06Å; A572-K604 VanDerWaalsContact N-O 3.1Å
573	G	42.5	Very low	58.1	Low	74 Å²	74	38 Å²	38	76%	0.763	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-4.4	-180	0	0	0	0	0	115.4	V571	V571-G573 PolarHBondContact O-N 3.15Å; V571-G573 VanDerWaalsContact O-N 3.14Å
574	H	47.3	Very low	58.1	Low	108 Å²	108	37.7 Å²	37.7	50%	0.5	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.9	173.6	-64.3	-78.3	0	0	0	111.1	V571 L576 V640	V571-H574 PolarHBondContact N-O 3.02Å; V571-H574 PolarHBondContact O-N 3.43Å; H574-L576 PolarHBondContact O-N 2.84Å; H574-V640 HydrophobicContact CB-CG1 3.78Å
575	R	52.3	Low	58.1	Low	75 Å²	75	34.1 Å²	34.1	28%	0.283	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.7	175.7	-60.9	-174.3	78.5	158.1	1.7	109.2	D499 L509 V568 N570	D499-R575 IonicContact OD1-NH1 2.97Å; D499-R575 IonicContact OD2-CZ 2.81Å; D499-R575 IonicContact OD2-NH1 3.63Å; D499-R575 PolarHBondContact OD2-NH1 2.95Å; L509-R575 HydrophobicContact CD2-CB 4.04Å; V568-R575 HydrophobicContact CG1-CB 3.92Å; V568-R575 HydrophobicContact CG1-CG 4.44Å; N570-R575 WeakPolarHBondContact OD1-CG 3.46Å
576	L	59	Low	58.5	Low	21 Å²	21	34.6 Å²	34.6	11%	0.11	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.2	177.8	-65.2	168.5	0	0	0	109.8	I569 V571 H574 I637 A641	I569-L576 PolarHBondContact N-O 3.41Å; I569-L576 PolarHBondContact O-N 3.24Å; V571-L576 HydrophobicContact CB-CD1 3.92Å; V571-L576 HydrophobicContact CG2-CD1 3.68Å; H574-L576 PolarHBondContact O-N 2.84Å; L576-I637 HydrophobicContact CD2-CG2 4.27Å; L576-A641 HydrophobicContact CD1-CB 4.24Å
577	S	58.9	Low	58.9	Low	8 Å²	8	36.2 Å²	36.2	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.3	175.8	-178.4	0	0	0	0	111.1	M562 S563 G579 A580 L581	M562-S577 VanDerWaalsContact CB-OG 3.32Å; M562-S577 WeakPolarHBondContact CB-OG 3.4Å; M562-S577 PolarHBondContact O-OG 2.98Å; S563-S577 WeakPolarHBondContact CB-OG 3.46Å; S563-S577 PolarHBondContact OG-OG 3.28Å; S577-G579 PolarHBondContact O-N 3.21Å; S577-G579 PolarHBondContact OG-N 2.93Å; S577-A580 PolarHBondContact O-N 3Å; S577-L581 PolarHBondContact O-N 2.81Å
578	A	64.9	Low	59.6	Low	2 Å²	2	36 Å²	36	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-57.3	-37.2	171.9	0	0	0	0	0	112.1	I569 A580 L581 E582 V596	I569-A578 HydrophobicContact CD1-CB 4.3Å; A578-A580 PolarHBondContact O-N 3.01Å; A578-L581 WeakPolarHBondContact O-CB 3.31Å; A578-L581 PolarHBondContact O-N 2.74Å; A578-E582 WeakPolarHBondContact O-CG 3.47Å; A578-E582 PolarHBondContact O-N 2.84Å; A578-V596 HydrophobicContact CB-CB 4.23Å; A578-V596 HydrophobicContact CB-CG1 4.34Å
579	G	59.4	Low	59.9	Low	7 Å²	7	39.8 Å²	39.8	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-33.1	-179.2	0	0	0	0	0	113.9	R436 S577 L581 E582 E583	R436-G579 PolarHBondContact NH1-O 2.93Å; S577-G579 PolarHBondContact O-N 3.21Å; S577-G579 PolarHBondContact OG-N 2.93Å; G579-L581 VanDerWaalsContact C-N 3.33Å; G579-E582 PolarHBondContact O-N 2.83Å; G579-E583 PolarHBondContact O-N 2.72Å; G579-E583 VanDerWaalsContact O-N 3.08Å
580	A	60	Low	60.2	Low	25 Å²	25	39.8 Å²	39.8	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-36.9	173.6	0	0	0	0	0	111.7	M562 S577 A578 S584 I637	M562-A580 HydrophobicContact SD-CB 4.31Å; S577-A580 PolarHBondContact O-N 3Å; A578-A580 PolarHBondContact O-N 3.01Å; A580-S584 PolarHBondContact O-N 2.82Å; A580-S584 PolarHBondContact O-OG 3.31Å; A580-I637 HydrophobicContact CB-CD1 4.36Å
581	L	66.7	Low	61	Low	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-44.7	174.1	-67.3	163.6	0	0	0	110.9	S577 A578 G579 E583 S584 V585 V596 P608 V633 I637 A641	S577-L581 PolarHBondContact O-N 2.81Å; A578-L581 WeakPolarHBondContact O-CB 3.31Å; A578-L581 PolarHBondContact O-N 2.74Å; G579-L581 VanDerWaalsContact C-N 3.33Å; L581-E583 PolarHBondContact O-N 3.38Å; L581-S584 PolarHBondContact O-N 3.46Å; L581-V585 VanDerWaalsContact O-CG2 3.22Å; L581-V585 WeakPolarHBondContact O-CG2 3.37Å; L581-V585 PolarHBondContact O-N 3.38Å; L581-V596 HydrophobicContact CB-CB 4.38Å; L581-V596 HydrophobicContact CB-CG1 4.21Å; L581-V596 HydrophobicContact CB-CG2 3.91Å; L581-V596 HydrophobicContact CD1-CG1 3.96Å; L581-P608 HydrophobicContact CD1-CB 3.75Å; L581-P608 HydrophobicContact CD1-CG 4.17Å; L581-V633 HydrophobicContact CD2-CG1 3.6Å; L581-I637 HydrophobicContact CB-CD1 4.5Å; L581-I637 HydrophobicContact CD2-CD1 3.53Å; L581-I637 HydrophobicContact CG-CD1 4Å; L581-A641 HydrophobicContact CD2-CB 4Å
582	E	69.9	Low	61.5	Low	20 Å²	20	37.5 Å²	37.5	9%	0.093	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-46.4	175.8	-73.2	170.7	-177.1	0	0	111.8	A578 G579 S584 V585 L586 A595 V596 R662	A578-E582 WeakPolarHBondContact O-CG 3.47Å; A578-E582 PolarHBondContact O-N 2.84Å; G579-E582 PolarHBondContact O-N 2.83Å; E582-S584 PolarHBondContact O-N 2.94Å; E582-V585 PolarHBondContact O-N 2.69Å; E582-V585 VanDerWaalsContact O-N 3.15Å; E582-L586 WeakPolarHBondContact O-CG 3.49Å; E582-L586 PolarHBondContact O-N 2.86Å; E582-A595 WeakPolarHBondContact OE1-CA 3.48Å; E582-V596 HydrophobicContact CG-CB 3.94Å; E582-V596 HydrophobicContact CG-CG2 3.67Å; E582-V596 PolarHBondContact OE1-N 2.83Å; E582-R662 IonicContact OE1-CZ 3.91Å; E582-R662 IonicContact OE1-NE 2.85Å; E582-R662 PolarHBondContact OE1-NE 2.82Å; E582-R662 IonicContact OE1-NH2 2.85Å; E582-R662 PolarHBondContact OE1-NH2 2.87Å; E582-R662 VanDerWaalsContact OE1-NH2 3.1Å; E582-R662 IonicContact OE2-CZ 3.67Å; E582-R662 IonicContact OE2-NH2 3.34Å; E582-R662 PolarHBondContact OE2-NH2 2.84Å
583	E	63.1	Low	63	Low	55 Å²	55	35.2 Å²	35.2	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-43.7	178.8	-177.3	173.8	-154.7	0	0	112.3	R436 V439 G579 L581 V585 L586 L587	R436-E583 IonicContact CZ-OE2 3.7Å; R436-E583 IonicContact NH1-OE2 3.69Å; R436-E583 IonicContact NH2-OE1 2.7Å; R436-E583 IonicContact NH2-OE2 2.9Å; R436-E583 PolarHBondContact NH2-OE2 3.12Å; V439-E583 WeakPolarHBondContact CG2-OE1 3.5Å; G579-E583 PolarHBondContact O-N 2.72Å; G579-E583 VanDerWaalsContact O-N 3.08Å; L581-E583 PolarHBondContact O-N 3.38Å; E583-V585 PolarHBondContact O-N 3.26Å; E583-L586 PolarHBondContact O-N 2.77Å; E583-L587 PolarHBondContact O-N 3.4Å; E583-L587 VanDerWaalsContact O-N 3.17Å
584	S	65.6	Low	64.6	Low	6 Å²	6	31.9 Å²	31.9	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-35.4	176.8	-59	0	0	0	0	111.6	A580 L581 E582 L632 I637	A580-S584 PolarHBondContact O-N 2.82Å; A580-S584 PolarHBondContact O-OG 3.31Å; L581-S584 PolarHBondContact O-N 3.46Å; E582-S584 PolarHBondContact O-N 2.94Å; S584-L632 VanDerWaalsContact O-CD2 3.26Å; S584-L632 WeakPolarHBondContact O-CD2 3.47Å; S584-I637 WeakPolarHBondContact OG-CD1 3.35Å
585	V	68.8	Low	65.8	Low	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.8	-37.3	177.2	177	0	0	0	0	111.5	L581 E582 E583 L587 H588 V591 C594 V629 V633 F643	L581-V585 VanDerWaalsContact O-CG2 3.22Å; L581-V585 WeakPolarHBondContact O-CG2 3.37Å; L581-V585 PolarHBondContact O-N 3.38Å; E582-V585 PolarHBondContact O-N 2.69Å; E582-V585 VanDerWaalsContact O-N 3.15Å; E583-V585 PolarHBondContact O-N 3.26Å; V585-L587 VanDerWaalsContact C-N 3.28Å; V585-L587 PolarHBondContact O-N 3.15Å; V585-H588 VanDerWaalsContact O-CB 3.26Å; V585-H588 WeakPolarHBondContact O-CB 3.5Å; V585-H588 PolarHBondContact O-N 3.14Å; V585-H588 VanDerWaalsContact O-N 3.12Å; V585-V591 HydrophobicContact CG1-CG1 4.28Å; V585-V591 HydrophobicContact CG1-CG2 4.25Å; V585-C594 HydrophobicContact CB-CB 4.35Å; V585-C594 HydrophobicContact CG1-CB 3.95Å; V585-C594 VanDerWaalsContact CG1-SG 3.59Å; V585-V629 HydrophobicContact CB-CG1 4.25Å; V585-V629 HydrophobicContact CG1-CG1 3.81Å; V585-V629 HydrophobicContact CG2-CG1 3.74Å; V585-V633 HydrophobicContact CG2-CG2 3.73Å; V585-F643 HydrophobicContact CG2-CZ 4.24Å
586	L	68.4	Low	66.8	Low	35 Å²	35	23.2 Å²	23.2	18%	0.183	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-22.4	178.8	-74.4	170.9	0	0	0	113.7	E582 E583 H588 V591 C594	E582-L586 WeakPolarHBondContact O-CG 3.49Å; E582-L586 PolarHBondContact O-N 2.86Å; E583-L586 PolarHBondContact O-N 2.77Å; L586-H588 PolarHBondContact O-N 3.17Å; L586-H588 VanDerWaalsContact O-N 3.16Å; L586-V591 HydrophobicContact CD2-CG1 4.34Å; L586-C594 HydrophobicContact CD2-CB 4.28Å; L586-C594 HydrophobicContact CG-CB 4.35Å
587	L	67.1	Low	67.5	Low	119 Å²	119	22.4 Å²	22.4	62%	0.623	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.9	170.5	-71.3	172.2	0	0	0	112.7	E583 V585 S589 L632	E583-L587 PolarHBondContact O-N 3.4Å; E583-L587 VanDerWaalsContact O-N 3.17Å; V585-L587 VanDerWaalsContact C-N 3.28Å; V585-L587 PolarHBondContact O-N 3.15Å; L587-S589 PolarHBondContact O-N 2.99Å; L587-L632 HydrophobicContact CB-CD2 4.13Å
588	H	70.8	Confident	68	Low	21 Å²	21	22.8 Å²	22.8	10%	0.097	14%	0.144	C	C	.	.	S	Bend	trans	-75.7	122.2	179.4	-166.2	-89.5	0	0	0	112	V585 L586 A590 V591 E628 V629 L632	V585-H588 VanDerWaalsContact O-CB 3.26Å; V585-H588 WeakPolarHBondContact O-CB 3.5Å; V585-H588 PolarHBondContact O-N 3.14Å; V585-H588 VanDerWaalsContact O-N 3.12Å; L586-H588 PolarHBondContact O-N 3.17Å; L586-H588 VanDerWaalsContact O-N 3.16Å; H588-A590 WeakPolarHBondContact ND1-CB 3.36Å; H588-A590 PolarHBondContact ND1-N 3.31Å; H588-A590 PolarHBondContact O-N 2.55Å; H588-V591 HydrophobicContact CB-CG2 4.06Å; H588-V591 PolarHBondContact O-N 3.3Å; H588-E628 IonicContact CE1-OE2 2.78Å; H588-E628 IonicContact NE2-OE2 2.65Å; H588-E628 PolarHBondContact NE2-OE2 2.88Å; H588-E628 VanDerWaalsContact NE2-OE2 3.15Å; H588-V629 HydrophobicContact CB-CG2 4.31Å; H588-L632 HydrophobicContact CB-CD2 4.11Å
589	S	65.3	Low	68.2	Low	98 Å²	98	23.7 Å²	23.7	69%	0.685	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.2	-174.5	58.8	0	0	0	0	115.2	L587 K615	L587-S589 PolarHBondContact O-N 2.99Å; S589-K615 PolarHBondContact O-NZ 2.76Å
590	A	68.6	Low	68.3	Low	8 Å²	8	27.9 Å²	27.9	7%	0.066	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.5	-179.3	0	0	0	0	0	114.6	H588 L614 K615 V618	H588-A590 WeakPolarHBondContact ND1-CB 3.36Å; H588-A590 PolarHBondContact ND1-N 3.31Å; H588-A590 PolarHBondContact O-N 2.55Å; A590-L614 HydrophobicContact CB-CD2 4.5Å; A590-K615 PolarHBondContact O-N 3.2Å; A590-K615 VanDerWaalsContact O-N 3.1Å; A590-V618 HydrophobicContact CB-CG1 4.04Å; A590-V618 HydrophobicContact CB-CG2 3.79Å
591	V	68.9	Low	68.4	Low	3 Å²	3	29.5 Å²	29.5	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.3	-177.4	-176.5	0	0	0	0	109.4	V585 L586 H588 D593 C594 K615 V629	V585-V591 HydrophobicContact CG1-CG1 4.28Å; V585-V591 HydrophobicContact CG1-CG2 4.25Å; L586-V591 HydrophobicContact CD2-CG1 4.34Å; H588-V591 HydrophobicContact CB-CG2 4.06Å; H588-V591 PolarHBondContact O-N 3.3Å; V591-D593 WeakPolarHBondContact CG1-O 3.39Å; V591-C594 HydrophobicContact CG1-CB 4.27Å; V591-K615 VanDerWaalsContact O-CE 3.25Å; V591-K615 WeakPolarHBondContact O-CE 3.35Å; V591-K615 PolarHBondContact O-NZ 2.94Å; V591-V629 HydrophobicContact CG2-CG2 4.4Å
592	G	64.1	Low	67.6	Low	30 Å²	30	35.5 Å²	35.5	31%	0.309	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-32.6	176.7	0	0	0	0	0	113.5	V613	G592-V613 PolarHBondContact N-O 3.27Å
593	D	71.3	Confident	66.9	Low	24 Å²	24	41.9 Å²	41.9	13%	0.128	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	148.4	177.7	-149.6	-13.3	0	0	0	109.6	V591 V613 L652 K654	V591-D593 WeakPolarHBondContact CG1-O 3.39Å; D593-V613 HydrophobicContact CB-CB 3.99Å; D593-V613 HydrophobicContact CB-CG2 4.13Å; D593-V613 PolarHBondContact N-O 3.4Å; D593-V613 PolarHBondContact O-N 2.84Å; D593-L652 HydrophobicContact CB-CD1 3.99Å; D593-K654 WeakPolarHBondContact OD2-CE 3.25Å; D593-K654 IonicContact OD2-NZ 2.95Å; D593-K654 PolarHBondContact OD2-NZ 3.48Å
594	C	76.1	Confident	66.4	Low	3 Å²	3	42.7 Å²	42.7	2%	0.02	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.6	-178.5	179.6	0	0	0	0	111	V585 L586 V591 L611	V585-C594 HydrophobicContact CB-CB 4.35Å; V585-C594 HydrophobicContact CG1-CB 3.95Å; V585-C594 VanDerWaalsContact CG1-SG 3.59Å; L586-C594 HydrophobicContact CD2-CB 4.28Å; L586-C594 HydrophobicContact CG-CB 4.35Å; V591-C594 HydrophobicContact CG1-CB 4.27Å; C594-L611 CarbonylContact C-O 3.46Å; C594-L611 WeakPolarHBondContact CA-O 3.4Å
595	A	73.6	Confident	66.1	Low	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.7	168.5	0	0	0	0	0	110.1	E582 A610 L611 L652 I660	E582-A595 WeakPolarHBondContact OE1-CA 3.48Å; A595-A610 CarbonylContact O-C 3.56Å; A595-A610 WeakPolarHBondContact O-CA 3.21Å; A595-L611 HydrophobicContact CB-CB 4.4Å; A595-L611 PolarHBondContact N-O 3.42Å; A595-L611 PolarHBondContact O-N 3.29Å; A595-L652 HydrophobicContact CB-CD1 4.01Å; A595-L652 HydrophobicContact CB-CD2 3.86Å; A595-I660 HydrophobicContact CB-CD1 4.13Å; A595-I660 HydrophobicContact CB-CG2 4.12Å
596	V	72.5	Confident	65.9	Low	1 Å²	1	47.6 Å²	47.6	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.8	176	177.7	0	0	0	0	109.7	I569 A578 L581 E582 P608 L609 A610	I569-V596 HydrophobicContact CD1-CG1 4.09Å; A578-V596 HydrophobicContact CB-CB 4.23Å; A578-V596 HydrophobicContact CB-CG1 4.34Å; L581-V596 HydrophobicContact CB-CB 4.38Å; L581-V596 HydrophobicContact CB-CG1 4.21Å; L581-V596 HydrophobicContact CB-CG2 3.91Å; L581-V596 HydrophobicContact CD1-CG1 3.96Å; E582-V596 HydrophobicContact CG-CB 3.94Å; E582-V596 HydrophobicContact CG-CG2 3.67Å; E582-V596 PolarHBondContact OE1-N 2.83Å; V596-P608 HydrophobicContact CG1-CB 3.85Å; V596-L609 CarbonylContact C-O 3.2Å; V596-L609 WeakPolarHBondContact CA-O 3.35Å; V596-A610 HydrophobicContact CG2-CB 4.01Å
597	V	73.6	Confident	65.8	Low	5 Å²	5	46.4 Å²	46.4	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.5	178.6	-62.8	0	0	0	0	110.6	L609 L665 A666 V669	V597-L609 HydrophobicContact CG2-CB 4.02Å; V597-L609 HydrophobicContact CG2-CD2 4.03Å; V597-L609 HydrophobicContact CG2-CG 4.33Å; V597-L609 PolarHBondContact N-O 2.97Å; V597-L609 PolarHBondContact O-N 3.15Å; V597-L665 HydrophobicContact CG1-CB 3.93Å; V597-A666 HydrophobicContact CB-CB 4.42Å; V597-V669 HydrophobicContact CG2-CB 4.5Å; V597-V669 HydrophobicContact CG2-CG1 4.49Å; V597-V669 HydrophobicContact CG2-CG2 4.09Å
598	G	69.9	Low	66	Low	15 Å²	15	40.8 Å²	40.8	16%	0.155	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.9	174.9	0	0	0	0	0	111.6	N670	G598-N670 PolarHBondContact O-ND2 2.71Å
599	L	69.3	Low	66.3	Low	22 Å²	22	40.2 Å²	40.2	12%	0.115	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.5	166	-178.8	70.6	0	0	0	108.9	H606 V607 L609 V669 W697	L599-H606 CarbonylContact O-C 3.51Å; L599-H606 VanDerWaalsContact O-CA 3.22Å; L599-H606 WeakPolarHBondContact O-CA 3.41Å; L599-V607 WeakPolarHBondContact CB-O 3.37Å; L599-V607 PolarHBondContact N-O 2.79Å; L599-V607 PolarHBondContact O-N 3.46Å; L599-L609 HydrophobicContact CB-CB 4.43Å; L599-V669 HydrophobicContact CB-CG1 4.44Å; L599-V669 HydrophobicContact CD1-CG1 3.54Å; L599-W697 HydrophobicContact CD1-CH2 4.25Å; L599-W697 HydrophobicContact CD1-CZ2 3.8Å
600	E	61.7	Low	66.7	Low	94 Å²	94	35.5 Å²	35.5	44%	0.439	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.7	174.6	-76.3	171.7	-167.8	0	0	110.7	N670 K672	E600-N670 PolarHBondContact N-OD1 3.14Å; E600-K672 IonicContact OE1-NZ 2.84Å; E600-K672 PolarHBondContact OE1-NZ 3.3Å; E600-K672 IonicContact OE2-NZ 3.39Å; E600-K672 PolarHBondContact OE2-NZ 3.04Å
601	D	61.9	Low	67	Low	59 Å²	59	35.1 Å²	35.1	32%	0.316	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.5	177.6	-176.3	-12.4	0	0	0	109.3	L603 K604 G605 V607	D601-L603 PolarHBondContact O-N 3.21Å; D601-L603 VanDerWaalsContact O-N 3.16Å; D601-L603 PolarHBondContact OD1-N 2.85Å; D601-K604 PolarHBondContact O-N 3.34Å; D601-G605 PolarHBondContact N-O 3.19Å; D601-G605 CarbonylContact O-C 3.52Å; D601-G605 WeakPolarHBondContact O-CA 3.39Å; D601-G605 PolarHBondContact O-N 2.91Å; D601-V607 HydrophobicContact CB-CG2 3.65Å; D601-V607 VanDerWaalsContact OD2-CG2 3.31Å; D601-V607 WeakPolarHBondContact OD2-CG2 3.39Å
602	S	48.5	Very low	67.2	Low	127 Å²	127	35 Å²	35	89%	0.888	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22	-175.3	54.8	0	0	0	0	114.1
603	L	55.2	Low	67.8	Low	155 Å²	155	34.7 Å²	34.7	81%	0.812	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-27.3	-178.6	-104.4	145.9	0	0	0	114.1	D601	D601-L603 PolarHBondContact O-N 3.21Å; D601-L603 VanDerWaalsContact O-N 3.16Å; D601-L603 PolarHBondContact OD1-N 2.85Å
604	K	54	Low	67.9	Low	72 Å²	72	35.9 Å²	35.9	31%	0.313	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	0.3	-172.4	-68	-177.4	179.6	179	0	114.1	A572 D601 H606 V607	A572-K604 PolarHBondContact N-O 3.06Å; A572-K604 VanDerWaalsContact N-O 3.1Å; D601-K604 PolarHBondContact O-N 3.34Å; K604-H606 PolarHBondContact O-N 3.45Å; K604-V607 HydrophobicContact CB-CG2 4.27Å; K604-V607 HydrophobicContact CD-CG2 4.32Å
605	G	59.3	Low	67.6	Low	43 Å²	43	39.9 Å²	39.9	44%	0.443	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-72	-172.8	0	0	0	0	0	110.1	D601	D601-G605 PolarHBondContact N-O 3.19Å; D601-G605 CarbonylContact O-C 3.52Å; D601-G605 WeakPolarHBondContact O-CA 3.39Å; D601-G605 PolarHBondContact O-N 2.91Å
606	H	63.1	Low	66.7	Low	65 Å²	65	50 Å²	50	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.4	174	-62	-80.2	0	0	0	111.9	I569 N570 V571 L599 K604	I569-H606 HydrophobicContact CG2-CB 3.58Å; N570-H606 PolarHBondContact O-N 3.06Å; V571-H606 WeakPolarHBondContact CG2-O 3.46Å; L599-H606 CarbonylContact O-C 3.51Å; L599-H606 VanDerWaalsContact O-CA 3.22Å; L599-H606 WeakPolarHBondContact O-CA 3.41Å; K604-H606 PolarHBondContact O-N 3.45Å
607	V	67.7	Low	65.8	Low	11 Å²	11	57.3 Å²	57.3	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.9	172.2	176.9	0	0	0	0	108.6	L599 D601 K604 L609	L599-V607 WeakPolarHBondContact CB-O 3.37Å; L599-V607 PolarHBondContact N-O 2.79Å; L599-V607 PolarHBondContact O-N 3.46Å; D601-V607 HydrophobicContact CB-CG2 3.65Å; D601-V607 VanDerWaalsContact OD2-CG2 3.31Å; D601-V607 WeakPolarHBondContact OD2-CG2 3.39Å; K604-V607 HydrophobicContact CB-CG2 4.27Å; K604-V607 HydrophobicContact CD-CG2 4.32Å; V607-L609 PolarHBondContact O-N 3.44Å
608	P	70.5	Confident	64.9	Low	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.9	177.9	27.8	-33.6	0	0	0	111.4	I569 L581 V596 A641 F643	I569-P608 HydrophobicContact CD1-CB 4.07Å; L581-P608 HydrophobicContact CD1-CB 3.75Å; L581-P608 HydrophobicContact CD1-CG 4.17Å; V596-P608 HydrophobicContact CG1-CB 3.85Å; P608-A641 VanDerWaalsContact CG-O 3.28Å; P608-A641 WeakPolarHBondContact CG-O 3.36Å; P608-F643 HydrophobicContact CB-CD2 4.08Å; P608-F643 HydrophobicContact CG-CB 4.45Å; P608-F643 HydrophobicContact CG-CD2 3.96Å
609	L	76.6	Confident	63.9	Low	9 Å²	9	68 Å²	68	5%	0.047	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	172.3	177.5	72.7	0	0	0	108.5	V596 V597 L599 V607 N645 L647 V669	V596-L609 CarbonylContact C-O 3.2Å; V596-L609 WeakPolarHBondContact CA-O 3.35Å; V597-L609 HydrophobicContact CG2-CB 4.02Å; V597-L609 HydrophobicContact CG2-CD2 4.03Å; V597-L609 HydrophobicContact CG2-CG 4.33Å; V597-L609 PolarHBondContact N-O 2.97Å; V597-L609 PolarHBondContact O-N 3.15Å; L599-L609 HydrophobicContact CB-CB 4.43Å; V607-L609 PolarHBondContact O-N 3.44Å; L609-N645 HydrophobicContact CD1-CB 3.31Å; L609-L647 HydrophobicContact CD1-CD1 3.97Å; L609-L647 HydrophobicContact CD1-CG 4Å; L609-L647 HydrophobicContact CD2-CD1 3.84Å; L609-L647 HydrophobicContact CG-CD1 4.24Å; L609-V669 HydrophobicContact CD2-CB 4.24Å; L609-V669 HydrophobicContact CD2-CG1 3.38Å; L609-V669 HydrophobicContact CD2-CG2 3.78Å
610	A	74.9	Confident	63.5	Low	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.2	173.2	0	0	0	0	0	111.9	A595 V596 F643 N645 V646 L647	A595-A610 CarbonylContact O-C 3.56Å; A595-A610 WeakPolarHBondContact O-CA 3.21Å; V596-A610 HydrophobicContact CG2-CB 4.01Å; A610-F643 HydrophobicContact CB-CE2 3.66Å; A610-F643 HydrophobicContact CB-CZ 3.36Å; A610-N645 PolarHBondContact N-O 3Å; A610-N645 VanDerWaalsContact N-O 3.08Å; A610-V646 CarbonylContact O-C 3.55Å; A610-V646 WeakPolarHBondContact O-CA 3.38Å; A610-L647 PolarHBondContact O-N 3Å
611	L	75.3	Confident	63.7	Low	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.2	166.3	-56.7	176.4	0	0	0	107.8	C594 A595 L647 V649 L652 L665	C594-L611 CarbonylContact C-O 3.46Å; C594-L611 WeakPolarHBondContact CA-O 3.4Å; A595-L611 HydrophobicContact CB-CB 4.4Å; A595-L611 PolarHBondContact N-O 3.42Å; A595-L611 PolarHBondContact O-N 3.29Å; L611-L647 CarbonylContact C-O 3.51Å; L611-L647 WeakPolarHBondContact CA-O 3.36Å; L611-L647 HydrophobicContact CD2-CB 3.8Å; L611-L647 HydrophobicContact CD2-CD1 3.76Å; L611-L647 HydrophobicContact CD2-CG 4.36Å; L611-V649 HydrophobicContact CB-CG2 4.27Å; L611-V649 HydrophobicContact CD2-CG1 4.35Å; L611-L652 HydrophobicContact CB-CD2 3.77Å; L611-L652 HydrophobicContact CD1-CD2 4.3Å; L611-L665 HydrophobicContact CD1-CD1 4.17Å; L611-L665 HydrophobicContact CD1-CD2 4.11Å
612	C	73	Confident	63.9	Low	1 Å²	1	73.9 Å²	73.9	1%	0.007	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.3	-175.6	-66	0	0	0	0	111.4	V646 L647 F648 V649	C612-V646 HydrophobicContact CB-CG1 4.25Å; C612-L647 PolarHBondContact N-O 2.87Å; C612-F648 HydrophobicContact CB-CD1 4.04Å; C612-F648 HydrophobicContact CB-CE1 4.16Å; C612-F648 WeakPolarHBondContact O-CA 3.02Å; C612-V649 PolarHBondContact O-N 2.99Å
613	V	74.9	Confident	64.7	Low	23 Å²	23	74.8 Å²	74.8	14%	0.139	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.1	169	-177.4	0	0	0	0	108.4	G592 D593 V649 L652	G592-V613 PolarHBondContact N-O 3.27Å; D593-V613 HydrophobicContact CB-CB 3.99Å; D593-V613 HydrophobicContact CB-CG2 4.13Å; D593-V613 PolarHBondContact N-O 3.4Å; D593-V613 PolarHBondContact O-N 2.84Å; V613-V649 WeakPolarHBondContact CA-O 3.42Å; V613-V649 HydrophobicContact CG2-CG2 3.94Å; V613-L652 HydrophobicContact CG2-CD1 4.18Å; V613-L652 HydrophobicContact CG2-CG 3.84Å
614	L	73.6	Confident	65.5	Low	49 Å²	49	72.2 Å²	72.2	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	149.5	177.6	-65.3	173.5	0	0	0	111.6	A590 I625 F648	A590-L614 HydrophobicContact CB-CD2 4.5Å; L614-I625 HydrophobicContact CD1-CD1 4.15Å; L614-I625 HydrophobicContact CD2-CD1 3.96Å; L614-I625 HydrophobicContact CD2-CG2 4.23Å; L614-F648 HydrophobicContact CD1-CD1 3.76Å; L614-F648 HydrophobicContact CD1-CE1 4.1Å; L614-F648 HydrophobicContact CD1-CG 4.29Å; L614-F648 HydrophobicContact CD2-CD1 3.98Å; L614-F648 HydrophobicContact CD2-CE1 3.79Å; L614-F648 HydrophobicContact CG-CD1 3.7Å; L614-F648 HydrophobicContact CG-CE1 4.04Å
615	K	70.9	Confident	66.3	Low	87 Å²	87	68.8 Å²	68.8	38%	0.378	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-70.4	151.3	169.5	-68.8	176	-174.4	153	0	110.3	S589 A590 V591 D617 V618	S589-K615 PolarHBondContact O-NZ 2.76Å; A590-K615 PolarHBondContact O-N 3.2Å; A590-K615 VanDerWaalsContact O-N 3.1Å; V591-K615 VanDerWaalsContact O-CE 3.25Å; V591-K615 WeakPolarHBondContact O-CE 3.35Å; V591-K615 PolarHBondContact O-NZ 2.94Å; K615-D617 PolarHBondContact O-N 2.92Å; K615-V618 HydrophobicContact CB-CG2 4.35Å; K615-V618 WeakPolarHBondContact O-CG2 3.28Å
616	K	54.3	Low	66.9	Low	211 Å²	211	68.2 Å²	68.2	92%	0.917	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-6.4	-173.3	-73.3	-174.9	176	-178.7	0	115.7
617	D	53.3	Low	67.5	Low	156 Å²	156	72.4 Å²	72.4	83%	0.834	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	27.7	-174.4	-63.7	-45.7	0	0	0	114.2	K615	K615-D617 PolarHBondContact O-N 2.92Å
618	V	54.3	Low	67.9	Low	46 Å²	46	75.2 Å²	75.2	28%	0.279	36%	0.362	S	S	.	.			trans	-94.6	116.5	-177.7	-177	0	0	0	0	111	A590 K615 K620 I625	A590-V618 HydrophobicContact CB-CG1 4.04Å; A590-V618 HydrophobicContact CB-CG2 3.79Å; K615-V618 HydrophobicContact CB-CG2 4.35Å; K615-V618 WeakPolarHBondContact O-CG2 3.28Å; V618-K620 HydrophobicContact CG1-CB 4.13Å; V618-I625 HydrophobicContact CG1-CD1 3.67Å
619	Q	48.8	Very low	68	Low	198 Å²	198	75.3 Å²	75.3	93%	0.925	36%	0.362	S	S	*	.			trans	-90.9	-0.7	178	-72.9	-104.6	-17.1	0	0	114
620	K	62.2	Low	67.8	Low	101 Å²	101	75.7 Å²	75.7	44%	0.439	37%	0.365	S	S	.	.	S	Bend	trans	-86.2	151.7	-177.8	-69	-169	-179.9	-173.2	0	112	V618 I625 E628	V618-K620 HydrophobicContact CG1-CB 4.13Å; K620-I625 HydrophobicContact CB-CD1 4.04Å; K620-I625 HydrophobicContact CB-CG1 3.91Å; K620-E628 IonicContact NZ-OE1 3.73Å; K620-E628 PolarHBondContact NZ-OE1 3.46Å; K620-E628 IonicContact NZ-OE2 2.72Å; K620-E628 PolarHBondContact NZ-OE2 3.46Å
621	T	64.9	Low	67.8	Low	81 Å²	81	82.1 Å²	82.1	50%	0.497	39%	0.393	S	S	.	.			trans	-72.5	146.3	176.7	58.9	0	0	0	0	111.9	E623 E624 I625	T621-E623 PolarHBondContact O-N 2.89Å; T621-E624 PolarHBondContact N-OE2 2.95Å; T621-E624 PolarHBondContact O-N 3.38Å; T621-E624 VanDerWaalsContact O-N 3.14Å; T621-E624 WeakPolarHBondContact OG1-CG 3.3Å; T621-E624 PolarHBondContact OG1-OE2 3.01Å; T621-I625 WeakPolarHBondContact O-CG1 3.42Å; T621-I625 PolarHBondContact O-N 3.41Å; T621-I625 VanDerWaalsContact O-N 3.17Å
622	E	66.3	Low	67.5	Low	117 Å²	117	84.5 Å²	84.5	55%	0.547	41%	0.406	S	S	.	.	H	α-helix	trans	-56.3	-33.7	-178.3	-70.4	-178.9	178.1	0	0	112.9	T626 F648	E622-T626 WeakPolarHBondContact O-CB 3.43Å; E622-T626 PolarHBondContact O-N 3.4Å; E622-T626 PolarHBondContact O-OG1 3.19Å; E622-F648 HydrophobicContact CB-CD2 3.77Å; E622-F648 HydrophobicContact CB-CE2 3.62Å; E622-F648 HydrophobicContact CG-CD2 3.81Å; E622-F648 HydrophobicContact CG-CE2 4.1Å; E622-F648 HydrophobicContact CG-CG 4.41Å; E622-F648 VanDerWaalsContact O-CE2 3.27Å; E622-F648 WeakPolarHBondContact O-CE2 3.38Å; E622-F648 WeakPolarHBondContact O-CZ 3.22Å
623	E	66	Low	67.1	Low	145 Å²	145	84.5 Å²	84.5	68%	0.678	41%	0.405	S	S	*	.	H	α-helix	trans	-72.1	-37.4	178.5	-67	-176.7	-179.6	0	0	113.3	T621 T626 K627	T621-E623 PolarHBondContact O-N 2.89Å; E623-T626 PolarHBondContact O-N 3.17Å; E623-K627 WeakPolarHBondContact O-CG 3.21Å; E623-K627 PolarHBondContact O-N 3.33Å; E623-K627 VanDerWaalsContact O-N 3.08Å
624	E	71.1	Confident	66.7	Low	102 Å²	102	88.9 Å²	88.9	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-43.7	175.7	-73.7	169.9	151.8	0	0	110.7	T621 T626 K627 E628	T621-E624 PolarHBondContact N-OE2 2.95Å; T621-E624 PolarHBondContact O-N 3.38Å; T621-E624 VanDerWaalsContact O-N 3.14Å; T621-E624 WeakPolarHBondContact OG1-CG 3.3Å; T621-E624 PolarHBondContact OG1-OE2 3.01Å; E624-T626 VanDerWaalsContact C-N 3.31Å; E624-T626 PolarHBondContact O-N 3.39Å; E624-K627 PolarHBondContact O-N 3.28Å; E624-E628 WeakPolarHBondContact O-CG 3.28Å; E624-E628 PolarHBondContact O-N 2.74Å
625	I	71.4	Confident	66.2	Low	0 Å²	0	92.2 Å²	92.2	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-63.1	-40.9	176.7	-60.6	168.3	0	0	0	110.2	L614 V618 K620 T621 K627 E628 V629 F648	L614-I625 HydrophobicContact CD1-CD1 4.15Å; L614-I625 HydrophobicContact CD2-CD1 3.96Å; L614-I625 HydrophobicContact CD2-CG2 4.23Å; V618-I625 HydrophobicContact CG1-CD1 3.67Å; K620-I625 HydrophobicContact CB-CD1 4.04Å; K620-I625 HydrophobicContact CB-CG1 3.91Å; T621-I625 WeakPolarHBondContact O-CG1 3.42Å; T621-I625 PolarHBondContact O-N 3.41Å; T621-I625 VanDerWaalsContact O-N 3.17Å; I625-K627 PolarHBondContact O-N 2.78Å; I625-E628 PolarHBondContact O-N 3.15Å; I625-V629 HydrophobicContact CG2-CG2 4.12Å; I625-V629 WeakPolarHBondContact O-CB 3.42Å; I625-V629 VanDerWaalsContact O-CG2 3.22Å; I625-V629 WeakPolarHBondContact O-CG2 3.24Å; I625-V629 PolarHBondContact O-N 3.18Å; I625-F648 HydrophobicContact CB-CZ 4.08Å; I625-F648 HydrophobicContact CG2-CE1 3.99Å; I625-F648 HydrophobicContact CG2-CZ 3.92Å
626	T	72.4	Confident	65.5	Low	31 Å²	31	91.7 Å²	91.7	19%	0.19	44%	0.442	C	S	.	.	H	α-helix	trans	-60.1	-45	176.5	-60	0	0	0	0	111.5	E622 E623 E624 V629 V630 V646 F648	E622-T626 WeakPolarHBondContact O-CB 3.43Å; E622-T626 PolarHBondContact O-N 3.4Å; E622-T626 PolarHBondContact O-OG1 3.19Å; E623-T626 PolarHBondContact O-N 3.17Å; E624-T626 VanDerWaalsContact C-N 3.31Å; E624-T626 PolarHBondContact O-N 3.39Å; T626-V629 PolarHBondContact O-N 2.68Å; T626-V630 HydrophobicContact CG2-CG2 4.32Å; T626-V630 WeakPolarHBondContact O-CB 3.44Å; T626-V630 WeakPolarHBondContact O-CG2 3.35Å; T626-V630 PolarHBondContact O-N 3.21Å; T626-V646 HydrophobicContact CG2-CB 3.94Å; T626-V646 HydrophobicContact CG2-CG2 3.95Å; T626-F648 WeakPolarHBondContact OG1-CE2 3.43Å
627	K	75.4	Confident	65.7	Low	152 Å²	152	84.4 Å²	84.4	66%	0.661	41%	0.412	S	S	*	.	H	α-helix	trans	-65.4	-41.5	177.2	-72.7	173.9	-175.5	167	0	112.3	E623 E624 I625 K631	E623-K627 WeakPolarHBondContact O-CG 3.21Å; E623-K627 PolarHBondContact O-N 3.33Å; E623-K627 VanDerWaalsContact O-N 3.08Å; E624-K627 PolarHBondContact O-N 3.28Å; I625-K627 PolarHBondContact O-N 2.78Å; K627-K631 WeakPolarHBondContact O-CB 3.27Å; K627-K631 PolarHBondContact O-N 3.27Å
628	E	76.4	Confident	65.6	Low	71 Å²	71	77.8 Å²	77.8	33%	0.332	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-46	177	-74.3	178	174.5	0	0	111.3	H588 K620 E624 I625 K631 L632	H588-E628 IonicContact CE1-OE2 2.78Å; H588-E628 IonicContact NE2-OE2 2.65Å; H588-E628 PolarHBondContact NE2-OE2 2.88Å; H588-E628 VanDerWaalsContact NE2-OE2 3.15Å; K620-E628 IonicContact NZ-OE1 3.73Å; K620-E628 PolarHBondContact NZ-OE1 3.46Å; K620-E628 IonicContact NZ-OE2 2.72Å; K620-E628 PolarHBondContact NZ-OE2 3.46Å; E624-E628 WeakPolarHBondContact O-CG 3.28Å; E624-E628 PolarHBondContact O-N 2.74Å; I625-E628 PolarHBondContact O-N 3.15Å; E628-K631 PolarHBondContact O-N 2.96Å; E628-L632 WeakPolarHBondContact O-CB 3.27Å; E628-L632 PolarHBondContact O-N 3.32Å
629	V	71.8	Confident	65.7	Low	1 Å²	1	80.8 Å²	80.8	1%	0.006	40%	0.401	C	S	.	.	H	α-helix	trans	-65.9	-45.2	178.2	172.7	0	0	0	0	111.5	V585 H588 V591 I625 T626 K631 L632 V633 F643	V585-V629 HydrophobicContact CB-CG1 4.25Å; V585-V629 HydrophobicContact CG1-CG1 3.81Å; V585-V629 HydrophobicContact CG2-CG1 3.74Å; H588-V629 HydrophobicContact CB-CG2 4.31Å; V591-V629 HydrophobicContact CG2-CG2 4.4Å; I625-V629 HydrophobicContact CG2-CG2 4.12Å; I625-V629 WeakPolarHBondContact O-CB 3.42Å; I625-V629 VanDerWaalsContact O-CG2 3.22Å; I625-V629 WeakPolarHBondContact O-CG2 3.24Å; I625-V629 PolarHBondContact O-N 3.18Å; T626-V629 PolarHBondContact O-N 2.68Å; V629-K631 VanDerWaalsContact C-N 3.28Å; V629-K631 PolarHBondContact O-N 3.11Å; V629-L632 PolarHBondContact O-N 3.17Å; V629-V633 HydrophobicContact CG1-CG2 4.47Å; V629-V633 WeakPolarHBondContact O-CG2 3.46Å; V629-V633 PolarHBondContact O-N 3.12Å; V629-F643 HydrophobicContact CG1-CE1 4.09Å
630	V	72.8	Confident	65.8	Low	18 Å²	18	74.8 Å²	74.8	11%	0.109	38%	0.378	C	S	.	.	H	α-helix	trans	-60.6	-40.1	176.9	169.9	0	0	0	0	111.1	T626 R634 F643 V646	T626-V630 HydrophobicContact CG2-CG2 4.32Å; T626-V630 WeakPolarHBondContact O-CB 3.44Å; T626-V630 WeakPolarHBondContact O-CG2 3.35Å; T626-V630 PolarHBondContact O-N 3.21Å; V630-R634 VanDerWaalsContact O-CG 3.32Å; V630-R634 WeakPolarHBondContact O-CG 3.41Å; V630-R634 PolarHBondContact O-N 2.7Å; V630-R634 VanDerWaalsContact O-N 3.1Å; V630-F643 HydrophobicContact CB-CD1 4.36Å; V630-F643 WeakPolarHBondContact CG1-O 3.46Å; V630-F643 HydrophobicContact CG2-CD1 3.74Å; V630-F643 HydrophobicContact CG2-CE1 4.03Å; V630-V646 HydrophobicContact CG2-CG2 4.48Å
631	K	74.4	Confident	65.2	Low	135 Å²	135	70 Å²	70	59%	0.587	36%	0.358	S	S	*	.	H	α-helix	trans	-65.5	-46.1	176.4	-172	-178.5	176.2	-173.4	0	111.3	K627 E628 V629 V633 R634 D635	K627-K631 WeakPolarHBondContact O-CB 3.27Å; K627-K631 PolarHBondContact O-N 3.27Å; E628-K631 PolarHBondContact O-N 2.96Å; V629-K631 VanDerWaalsContact C-N 3.28Å; V629-K631 PolarHBondContact O-N 3.11Å; K631-V633 VanDerWaalsContact C-N 3.34Å; K631-V633 PolarHBondContact O-N 3.45Å; K631-R634 WeakPolarHBondContact O-CB 3.25Å; K631-R634 PolarHBondContact O-N 3.25Å; K631-R634 VanDerWaalsContact O-N 3.12Å; K631-D635 VanDerWaalsContact O-CG 3.28Å; K631-D635 PolarHBondContact O-N 2.83Å
632	L	69.6	Low	64.7	Low	50 Å²	50	67 Å²	67	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-41.9	179.4	-170.8	67.7	0	0	0	112.5	S584 L587 H588 E628 V629 D635 T636	S584-L632 VanDerWaalsContact O-CD2 3.26Å; S584-L632 WeakPolarHBondContact O-CD2 3.47Å; L587-L632 HydrophobicContact CB-CD2 4.13Å; H588-L632 HydrophobicContact CB-CD2 4.11Å; E628-L632 WeakPolarHBondContact O-CB 3.27Å; E628-L632 PolarHBondContact O-N 3.32Å; V629-L632 PolarHBondContact O-N 3.17Å; L632-D635 PolarHBondContact O-N 3.12Å; L632-T636 WeakPolarHBondContact O-CB 3.49Å; L632-T636 PolarHBondContact O-N 3.42Å; L632-T636 PolarHBondContact O-OG1 3.31Å
633	V	64.1	Low	64.4	Low	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-39.6	175.4	172	0	0	0	0	111.1	L581 V585 V629 K631 T636 I637 A641 F643	L581-V633 HydrophobicContact CD2-CG1 3.6Å; V585-V633 HydrophobicContact CG2-CG2 3.73Å; V629-V633 HydrophobicContact CG1-CG2 4.47Å; V629-V633 WeakPolarHBondContact O-CG2 3.46Å; V629-V633 PolarHBondContact O-N 3.12Å; K631-V633 VanDerWaalsContact C-N 3.34Å; K631-V633 PolarHBondContact O-N 3.45Å; V633-T636 PolarHBondContact O-N 3.06Å; V633-I637 HydrophobicContact CG1-CD1 4.46Å; V633-I637 PolarHBondContact O-N 3.34Å; V633-A641 HydrophobicContact CG1-CB 4.37Å; V633-F643 HydrophobicContact CB-CD1 4.42Å; V633-F643 HydrophobicContact CG1-CB 4.05Å; V633-F643 HydrophobicContact CG1-CD1 4.47Å; V633-F643 HydrophobicContact CG1-CG 4.16Å; V633-F643 HydrophobicContact CG2-CD1 4.4Å; V633-F643 HydrophobicContact CG2-CE1 4.4Å
634	R	67.4	Low	64.2	Low	115 Å²	115	62.3 Å²	62.3	43%	0.434	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-36.3	175.4	-76.3	179	-176	177.8	5.8	112.9	V630 K631 G638	V630-R634 VanDerWaalsContact O-CG 3.32Å; V630-R634 WeakPolarHBondContact O-CG 3.41Å; V630-R634 PolarHBondContact O-N 2.7Å; V630-R634 VanDerWaalsContact O-N 3.1Å; K631-R634 WeakPolarHBondContact O-CB 3.25Å; K631-R634 PolarHBondContact O-N 3.25Å; K631-R634 VanDerWaalsContact O-N 3.12Å; R634-G638 CarbonylContact O-C 3.58Å; R634-G638 WeakPolarHBondContact O-CA 3.47Å; R634-G638 PolarHBondContact O-N 3.32Å
635	D	63.2	Low	64.1	Low	119 Å²	119	60 Å²	60	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-74.2	-31.5	179	-66.9	-16.1	0	0	0	111.4	K631 L632	K631-D635 VanDerWaalsContact O-CG 3.28Å; K631-D635 PolarHBondContact O-N 2.83Å; L632-D635 PolarHBondContact O-N 3.12Å
636	T	56.2	Low	64	Low	77 Å²	77	60.9 Å²	60.9	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-88.7	-44.4	-175.9	-49.2	0	0	0	0	113.5	L632 V633	L632-T636 WeakPolarHBondContact O-CB 3.49Å; L632-T636 PolarHBondContact O-N 3.42Å; L632-T636 PolarHBondContact O-OG1 3.31Å; V633-T636 PolarHBondContact O-N 3.06Å
637	I	57.1	Low	64.1	Low	57 Å²	57	60.1 Å²	60.1	29%	0.292	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-28.2	-175.7	-66.9	167.9	0	0	0	111.7	L576 A580 L581 S584 V633 A641	L576-I637 HydrophobicContact CD2-CG2 4.27Å; A580-I637 HydrophobicContact CB-CD1 4.36Å; L581-I637 HydrophobicContact CB-CD1 4.5Å; L581-I637 HydrophobicContact CD2-CD1 3.53Å; L581-I637 HydrophobicContact CG-CD1 4Å; S584-I637 WeakPolarHBondContact OG-CD1 3.35Å; V633-I637 HydrophobicContact CG1-CD1 4.46Å; V633-I637 PolarHBondContact O-N 3.34Å; I637-A641 HydrophobicContact CG2-CB 4.16Å
638	G	52.6	Low	64	Low	17 Å²	17	54.3 Å²	54.3	18%	0.175	28%	0.278	C	S	.	.			trans	110.2	169.8	-179.5	0	0	0	0	0	114.1	R634 V640 A641	R634-G638 CarbonylContact O-C 3.58Å; R634-G638 WeakPolarHBondContact O-CA 3.47Å; R634-G638 PolarHBondContact O-N 3.32Å; G638-V640 PolarHBondContact O-N 3.45Å; G638-V640 VanDerWaalsContact O-N 3.15Å; G638-A641 PolarHBondContact O-N 3.39Å
639	P	56.1	Low	63.8	Low	109 Å²	109	51.4 Å²	51.4	71%	0.708	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18.7	179.9	-20.1	31.9	0	0	0	114.3	A641 A642	P639-A641 PolarHBondContact O-N 2.94Å; P639-A642 PolarHBondContact O-N 3.03Å
640	V	49.4	Very low	63.6	Low	73 Å²	73	58.3 Å²	58.3	44%	0.442	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.9	-24.2	-177.8	-175.8	0	0	0	0	111.9	H574 G638 A642	H574-V640 HydrophobicContact CB-CG1 3.78Å; G638-V640 PolarHBondContact O-N 3.45Å; G638-V640 VanDerWaalsContact O-N 3.15Å; V640-A642 PolarHBondContact O-N 3.26Å
641	A	50.6	Low	63.4	Low	1 Å²	1	65 Å²	65	1%	0.008	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-66.7	-16.4	178.5	0	0	0	0	0	114.8	L576 L581 P608 V633 I637 G638 P639 F643	L576-A641 HydrophobicContact CD1-CB 4.24Å; L581-A641 HydrophobicContact CD2-CB 4Å; P608-A641 VanDerWaalsContact CG-O 3.28Å; P608-A641 WeakPolarHBondContact CG-O 3.36Å; V633-A641 HydrophobicContact CG1-CB 4.37Å; I637-A641 HydrophobicContact CG2-CB 4.16Å; G638-A641 PolarHBondContact O-N 3.39Å; P639-A641 PolarHBondContact O-N 2.94Å; A641-F643 PolarHBondContact O-N 2.95Å
642	A	54.7	Low	63.2	Low	17 Å²	17	59.1 Å²	59.1	14%	0.14	30%	0.295	C	S	.	.			trans	43.5	29.5	-179	0	0	0	0	0	114.8	V571 P639 V640 R644	V571-A642 HydrophobicContact CG1-CB 4.03Å; P639-A642 PolarHBondContact O-N 3.03Å; V640-A642 PolarHBondContact O-N 3.26Å; A642-R644 PolarHBondContact O-N 2.9Å
643	F	60.4	Low	63.1	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.			trans	-68.5	118	-174.7	-171	-96.3	0	0	0	109.8	V585 P608 A610 V629 V630 V633 A641 V646	V585-F643 HydrophobicContact CG2-CZ 4.24Å; P608-F643 HydrophobicContact CB-CD2 4.08Å; P608-F643 HydrophobicContact CG-CB 4.45Å; P608-F643 HydrophobicContact CG-CD2 3.96Å; A610-F643 HydrophobicContact CB-CE2 3.66Å; A610-F643 HydrophobicContact CB-CZ 3.36Å; V629-F643 HydrophobicContact CG1-CE1 4.09Å; V630-F643 HydrophobicContact CB-CD1 4.36Å; V630-F643 WeakPolarHBondContact CG1-O 3.46Å; V630-F643 HydrophobicContact CG2-CD1 3.74Å; V630-F643 HydrophobicContact CG2-CE1 4.03Å; V633-F643 HydrophobicContact CB-CD1 4.42Å; V633-F643 HydrophobicContact CG1-CB 4.05Å; V633-F643 HydrophobicContact CG1-CD1 4.47Å; V633-F643 HydrophobicContact CG1-CG 4.16Å; V633-F643 HydrophobicContact CG2-CD1 4.4Å; V633-F643 HydrophobicContact CG2-CE1 4.4Å; A641-F643 PolarHBondContact O-N 2.95Å; F643-V646 HydrophobicContact CE1-CG2 3.46Å; F643-V646 VanDerWaalsContact CE1-CG2 3.46Å; F643-V646 HydrophobicContact CZ-CG2 3.77Å
644	R	62.1	Low	63.2	Low	163 Å²	163	58.7 Å²	58.7	62%	0.615	29%	0.291	S	S	*	.			trans	-132.6	-28.1	-175.4	-73.2	-175.6	179.4	-168.4	-2	113.8	A642	A642-R644 PolarHBondContact O-N 2.9Å
645	N	67.8	Low	63	Low	54 Å²	54	53.8 Å²	53.8	29%	0.289	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.5	-168.9	-59.7	4	0	0	0	109.9	L609 A610	L609-N645 HydrophobicContact CD1-CB 3.31Å; A610-N645 PolarHBondContact N-O 3Å; A610-N645 VanDerWaalsContact N-O 3.08Å
646	V	70.2	Confident	62.6	Low	19 Å²	19	52.2 Å²	52.2	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.9	173.8	-176.8	0	0	0	0	107.7	A610 C612 T626 V630 F643 F648	A610-V646 CarbonylContact O-C 3.55Å; A610-V646 WeakPolarHBondContact O-CA 3.38Å; C612-V646 HydrophobicContact CB-CG1 4.25Å; T626-V646 HydrophobicContact CG2-CB 3.94Å; T626-V646 HydrophobicContact CG2-CG2 3.95Å; V630-V646 HydrophobicContact CG2-CG2 4.48Å; F643-V646 HydrophobicContact CE1-CG2 3.46Å; F643-V646 VanDerWaalsContact CE1-CG2 3.46Å; F643-V646 HydrophobicContact CZ-CG2 3.77Å; V646-F648 HydrophobicContact CG1-CE1 4.23Å; V646-F648 HydrophobicContact CG1-CE2 4.47Å; V646-F648 HydrophobicContact CG1-CZ 4.07Å
647	L	74	Confident	62.4	Low	15 Å²	15	51.3 Å²	51.3	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131	174.7	-68.1	173.2	0	0	0	109.1	L609 A610 L611 C612 V693 V696	L609-L647 HydrophobicContact CD1-CD1 3.97Å; L609-L647 HydrophobicContact CD1-CG 4Å; L609-L647 HydrophobicContact CD2-CD1 3.84Å; L609-L647 HydrophobicContact CG-CD1 4.24Å; A610-L647 PolarHBondContact O-N 3Å; L611-L647 CarbonylContact C-O 3.51Å; L611-L647 WeakPolarHBondContact CA-O 3.36Å; L611-L647 HydrophobicContact CD2-CB 3.8Å; L611-L647 HydrophobicContact CD2-CD1 3.76Å; L611-L647 HydrophobicContact CD2-CG 4.36Å; C612-L647 PolarHBondContact N-O 2.87Å; L647-V693 HydrophobicContact CD1-CG2 3.99Å; L647-V696 HydrophobicContact CD2-CB 3.85Å; L647-V696 HydrophobicContact CD2-CG1 4.03Å; L647-V696 HydrophobicContact CD2-CG2 3.26Å
648	F	73.8	Confident	62.3	Low	29 Å²	29	48.9 Å²	48.9	13%	0.127	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.6	173.9	-61.6	-72.9	0	0	0	110	C612 L614 E622 I625 T626 V646	C612-F648 HydrophobicContact CB-CD1 4.04Å; C612-F648 HydrophobicContact CB-CE1 4.16Å; C612-F648 WeakPolarHBondContact O-CA 3.02Å; L614-F648 HydrophobicContact CD1-CD1 3.76Å; L614-F648 HydrophobicContact CD1-CE1 4.1Å; L614-F648 HydrophobicContact CD1-CG 4.29Å; L614-F648 HydrophobicContact CD2-CD1 3.98Å; L614-F648 HydrophobicContact CD2-CE1 3.79Å; L614-F648 HydrophobicContact CG-CD1 3.7Å; L614-F648 HydrophobicContact CG-CE1 4.04Å; E622-F648 HydrophobicContact CB-CD2 3.77Å; E622-F648 HydrophobicContact CB-CE2 3.62Å; E622-F648 HydrophobicContact CG-CD2 3.81Å; E622-F648 HydrophobicContact CG-CE2 4.1Å; E622-F648 HydrophobicContact CG-CG 4.41Å; E622-F648 VanDerWaalsContact O-CE2 3.27Å; E622-F648 WeakPolarHBondContact O-CE2 3.38Å; E622-F648 WeakPolarHBondContact O-CZ 3.22Å; I625-F648 HydrophobicContact CB-CZ 4.08Å; I625-F648 HydrophobicContact CG2-CE1 3.99Å; I625-F648 HydrophobicContact CG2-CZ 3.92Å; T626-F648 WeakPolarHBondContact OG1-CE2 3.43Å; V646-F648 HydrophobicContact CG1-CE1 4.23Å; V646-F648 HydrophobicContact CG1-CE2 4.47Å; V646-F648 HydrophobicContact CG1-CZ 4.07Å
649	V	71.9	Confident	62.8	Low	10 Å²	10	52.9 Å²	52.9	6%	0.061	26%	0.258	C	S	.	.			trans	-125.6	147.9	180	-62.9	0	0	0	0	109.9	L611 C612 V613 L652 I689	L611-V649 HydrophobicContact CB-CG2 4.27Å; L611-V649 HydrophobicContact CD2-CG1 4.35Å; C612-V649 PolarHBondContact O-N 2.99Å; V613-V649 WeakPolarHBondContact CA-O 3.42Å; V613-V649 HydrophobicContact CG2-CG2 3.94Å; V649-L652 HydrophobicContact CG2-CD2 3.88Å; V649-L652 HydrophobicContact CG2-CG 4.33Å; V649-I689 HydrophobicContact CG1-CG1 4.09Å
650	H	67	Low	63.4	Low	146 Å²	146	48.5 Å²	48.5	68%	0.676	23%	0.228	S	C	*	.	S	Bend	trans	-70.9	-34.9	-179	-67.1	-56.7	0	0	0	112.6
651	R	67.9	Low	64.2	Low	158 Å²	158	45.8 Å²	45.8	60%	0.596	21%	0.212	S	C	*	.			trans	-150.5	153.6	177.3	-62.6	-173.4	-139.8	156.8	10.5	110.2	D682 V685	R651-D682 IonicContact NH1-OD2 3.56Å; R651-D682 PolarHBondContact NH1-OD2 2.81Å; R651-V685 HydrophobicContact CB-CG1 4.31Å; R651-V685 HydrophobicContact CB-CG2 4.28Å; R651-V685 VanDerWaalsContact O-CG1 3.24Å; R651-V685 WeakPolarHBondContact O-CG1 3.33Å
652	L	71.1	Confident	65	Low	12 Å²	12	48.3 Å²	48.3	6%	0.063	22%	0.221	C	C	.	.			trans	-98.4	141.6	170.4	-70.1	168	0	0	0	110.1	D593 A595 L611 V613 V649 K654 I660	D593-L652 HydrophobicContact CB-CD1 3.99Å; A595-L652 HydrophobicContact CB-CD1 4.01Å; A595-L652 HydrophobicContact CB-CD2 3.86Å; L611-L652 HydrophobicContact CB-CD2 3.77Å; L611-L652 HydrophobicContact CD1-CD2 4.3Å; V613-L652 HydrophobicContact CG2-CD1 4.18Å; V613-L652 HydrophobicContact CG2-CG 3.84Å; V649-L652 HydrophobicContact CG2-CD2 3.88Å; V649-L652 HydrophobicContact CG2-CG 4.33Å; L652-K654 PolarHBondContact O-N 3.26Å; L652-I660 HydrophobicContact CD1-CD1 4.22Å
653	P	67.1	Low	65.4	Low	1 Å²	1	50.6 Å²	50.6	1%	0.006	24%	0.236	C	C	.	.			trans	-71.2	120.7	177.1	27.8	-31.2	0	0	0	108.8	P661 L665 I680 V685 F686 I689	P653-P661 HydrophobicContact CG-CG 4.41Å; P653-P661 WeakPolarHBondContact O-CD 3.46Å; P653-L665 HydrophobicContact CG-CD1 4.1Å; P653-L665 HydrophobicContact CG-CD2 3.83Å; P653-L665 HydrophobicContact CG-CG 4.19Å; P653-I680 HydrophobicContact CB-CG2 4.39Å; P653-V685 HydrophobicContact CB-CB 4.49Å; P653-V685 HydrophobicContact CB-CG1 4.22Å; P653-V685 HydrophobicContact CG-CG1 4.49Å; P653-F686 HydrophobicContact CB-CD2 4.13Å; P653-F686 HydrophobicContact CB-CE2 3.4Å; P653-F686 VanDerWaalsContact CB-CE2 3.4Å; P653-F686 HydrophobicContact CB-CZ 3.72Å; P653-F686 HydrophobicContact CG-CE1 4.37Å; P653-F686 HydrophobicContact CG-CE2 3.98Å; P653-F686 HydrophobicContact CG-CZ 3.82Å; P653-I689 HydrophobicContact CG-CD1 4.18Å
654	K	66.7	Low	65.7	Low	40 Å²	40	51.3 Å²	51.3	17%	0.174	24%	0.241	C	C	.	.			trans	-114.8	138.9	176.4	-65.4	-177.8	-177.4	-177	0	109.6	D593 L652 I660 E681	D593-K654 WeakPolarHBondContact OD2-CE 3.25Å; D593-K654 IonicContact OD2-NZ 2.95Å; D593-K654 PolarHBondContact OD2-NZ 3.48Å; L652-K654 PolarHBondContact O-N 3.26Å; K654-I660 HydrophobicContact CG-CG1 4.41Å; K654-E681 PolarHBondContact O-N 2.82Å
655	T	64	Low	66.1	Low	13 Å²	13	43.5 Å²	43.5	8%	0.08	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-71.2	160	161.1	64.1	0	0	0	0	109.1	S657 G658 K659 T679 I680	T655-S657 PolarHBondContact O-N 3.2Å; T655-S657 VanDerWaalsContact O-N 3.07Å; T655-S657 PolarHBondContact OG1-N 3.49Å; T655-S657 PolarHBondContact OG1-OG 3.28Å; T655-G658 WeakPolarHBondContact O-CA 3.35Å; T655-G658 PolarHBondContact O-N 3.43Å; T655-K659 PolarHBondContact N-O 3.05Å; T655-K659 WeakPolarHBondContact OG1-CB 3.35Å; T655-K659 PolarHBondContact OG1-N 3.32Å; T655-K659 PolarHBondContact OG1-O 2.96Å; T655-T679 WeakPolarHBondContact CA-O 3.46Å; T655-I680 HydrophobicContact CG2-CG1 4.25Å
656	R	53.3	Low	66.1	Low	85 Å²	85	42 Å²	42	32%	0.321	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17	171.9	-71.8	-179.6	174.1	-154	-5.6	113.9	E236 T679 E681	E236-R656 IonicContact OE1-CZ 3.53Å; E236-R656 IonicContact OE1-NH1 2.62Å; E236-R656 PolarHBondContact OE1-NH1 3.04Å; E236-R656 IonicContact OE1-NH2 3.79Å; E236-R656 PolarHBondContact OE1-NH2 2.91Å; E236-R656 IonicContact OE2-CZ 3.85Å; E236-R656 IonicContact OE2-NH1 3.63Å; E236-R656 IonicContact OE2-NH2 2.66Å; E236-R656 PolarHBondContact OE2-NH2 2.98Å; R656-T679 PolarHBondContact N-O 3.36Å; R656-T679 VanDerWaalsContact N-O 3.09Å; R656-E681 HydrophobicContact CG-CG 3.74Å
657	S	52.1	Low	66	Low	58 Å²	58	43.5 Å²	43.5	41%	0.406	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	7.5	170.6	65.5	0	0	0	0	113.6	T655 K659	T655-S657 PolarHBondContact O-N 3.2Å; T655-S657 VanDerWaalsContact O-N 3.07Å; T655-S657 PolarHBondContact OG1-N 3.49Å; T655-S657 PolarHBondContact OG1-OG 3.28Å; S657-K659 PolarHBondContact O-N 2.98Å
658	G	55.2	Low	65.9	Low	6 Å²	6	43.3 Å²	43.3	6%	0.062	21%	0.213	C	C	.	.	S	Bend	trans	79.4	-4.2	-178.6	0	0	0	0	0	114.9	T655	T655-G658 WeakPolarHBondContact O-CA 3.35Å; T655-G658 PolarHBondContact O-N 3.43Å
659	K	64.4	Low	65.6	Low	102 Å²	102	42 Å²	42	44%	0.443	21%	0.208	S	C	.	.			trans	-78.5	134	-174.2	-171.4	176.1	-179.5	176.4	0	111.3	T655 S657	T655-K659 PolarHBondContact N-O 3.05Å; T655-K659 WeakPolarHBondContact OG1-CB 3.35Å; T655-K659 PolarHBondContact OG1-N 3.32Å; T655-K659 PolarHBondContact OG1-O 2.96Å; S657-K659 PolarHBondContact O-N 2.98Å
660	I	67.3	Low	65.2	Low	16 Å²	16	43.2 Å²	43.2	8%	0.082	21%	0.214	C	C	.	.			trans	-83.8	122.4	169	-60.7	168	0	0	0	107.9	A595 L652 K654 R662 L665	A595-I660 HydrophobicContact CB-CD1 4.13Å; A595-I660 HydrophobicContact CB-CG2 4.12Å; L652-I660 HydrophobicContact CD1-CD1 4.22Å; K654-I660 HydrophobicContact CG-CG1 4.41Å; I660-R662 HydrophobicContact CG2-CG 4.25Å; I660-R662 PolarHBondContact O-N 3.49Å; I660-L665 HydrophobicContact CG2-CD1 3.48Å; I660-L665 VanDerWaalsContact CG2-CD1 3.48Å
661	P	65.9	Low	64.9	Low	17 Å²	17	39.8 Å²	39.8	11%	0.11	22%	0.218	C	C	.	.			trans	-77.1	74.8	-179.4	32.7	-33.7	0	0	0	110.6	P653 S663 S664 L665 I680 F686	P653-P661 HydrophobicContact CG-CG 4.41Å; P653-P661 WeakPolarHBondContact O-CD 3.46Å; P661-S663 VanDerWaalsContact C-N 3.34Å; P661-S663 PolarHBondContact O-N 2.95Å; P661-S664 PolarHBondContact O-N 3.13Å; P661-S664 VanDerWaalsContact O-N 3.13Å; P661-L665 PolarHBondContact O-N 3.25Å; P661-I680 HydrophobicContact CG-CD1 4.03Å; P661-F686 HydrophobicContact CG-CZ 3.93Å
662	R	67.9	Low	65	Low	53 Å²	53	36.1 Å²	36.1	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-38.5	-175.3	-65.9	-169.6	-173.6	87	1.8	113.6	D567 E582 I660 S664 L665 A666	D567-R662 IonicContact OD2-NH1 3.81Å; E582-R662 IonicContact OE1-CZ 3.91Å; E582-R662 IonicContact OE1-NE 2.85Å; E582-R662 PolarHBondContact OE1-NE 2.82Å; E582-R662 IonicContact OE1-NH2 2.85Å; E582-R662 PolarHBondContact OE1-NH2 2.87Å; E582-R662 VanDerWaalsContact OE1-NH2 3.1Å; E582-R662 IonicContact OE2-CZ 3.67Å; E582-R662 IonicContact OE2-NH2 3.34Å; E582-R662 PolarHBondContact OE2-NH2 2.84Å; I660-R662 HydrophobicContact CG2-CG 4.25Å; I660-R662 PolarHBondContact O-N 3.49Å; R662-S664 PolarHBondContact O-N 3.26Å; R662-L665 CarbonylContact O-C 3.47Å; R662-L665 PolarHBondContact O-N 3.34Å; R662-A666 VanDerWaalsContact O-CB 3.31Å; R662-A666 WeakPolarHBondContact O-CB 3.41Å; R662-A666 PolarHBondContact O-N 3.18Å
663	S	64.3	Low	64.4	Low	65 Å²	65	41.9 Å²	41.9	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-42.1	175.4	177.9	0	0	0	0	112.5	P661 N667	P661-S663 VanDerWaalsContact C-N 3.34Å; P661-S663 PolarHBondContact O-N 2.95Å; S663-N667 WeakPolarHBondContact O-CB 3.2Å; S663-N667 VanDerWaalsContact O-CG 3.23Å; S663-N667 PolarHBondContact O-N 3.1Å; S663-N667 PolarHBondContact O-ND2 3.5Å; S663-N667 VanDerWaalsContact O-ND2 3.17Å
664	S	66.6	Low	64.2	Low	15 Å²	15	44.8 Å²	44.8	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-38	175.2	-60	0	0	0	0	111.8	P661 R662 L668 K675	P661-S664 PolarHBondContact O-N 3.13Å; P661-S664 VanDerWaalsContact O-N 3.13Å; R662-S664 PolarHBondContact O-N 3.26Å; S664-L668 WeakPolarHBondContact O-CB 3.12Å; S664-L668 PolarHBondContact O-N 3.44Å; S664-K675 PolarHBondContact OG-O 3.44Å
665	L	69.8	Low	63.9	Low	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-42.2	175.7	-73.4	171.5	0	0	0	112.5	V597 L611 P653 I660 P661 R662 N667 L668 V669 F686 I689	V597-L665 HydrophobicContact CG1-CB 3.93Å; L611-L665 HydrophobicContact CD1-CD1 4.17Å; L611-L665 HydrophobicContact CD1-CD2 4.11Å; P653-L665 HydrophobicContact CG-CD1 4.1Å; P653-L665 HydrophobicContact CG-CD2 3.83Å; P653-L665 HydrophobicContact CG-CG 4.19Å; I660-L665 HydrophobicContact CG2-CD1 3.48Å; I660-L665 VanDerWaalsContact CG2-CD1 3.48Å; P661-L665 PolarHBondContact O-N 3.25Å; R662-L665 CarbonylContact O-C 3.47Å; R662-L665 PolarHBondContact O-N 3.34Å; L665-N667 VanDerWaalsContact C-N 3.34Å; L665-L668 PolarHBondContact O-N 3.38Å; L665-V669 WeakPolarHBondContact O-CB 3.15Å; L665-V669 VanDerWaalsContact O-CG2 3.27Å; L665-V669 WeakPolarHBondContact O-CG2 3.23Å; L665-V669 PolarHBondContact O-N 2.98Å; L665-F686 HydrophobicContact CD2-CE1 4.37Å; L665-I689 HydrophobicContact CD2-CD1 3.85Å; L665-I689 HydrophobicContact CD2-CG2 4.5Å
666	A	66.8	Low	63.6	Low	22 Å²	22	54.6 Å²	54.6	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-41	175.5	0	0	0	0	0	110.9	V597 R662 V669 N670	V597-A666 HydrophobicContact CB-CB 4.42Å; R662-A666 VanDerWaalsContact O-CB 3.31Å; R662-A666 WeakPolarHBondContact O-CB 3.41Å; R662-A666 PolarHBondContact O-N 3.18Å; A666-V669 PolarHBondContact O-N 3.26Å; A666-N670 VanDerWaalsContact O-CB 3.32Å; A666-N670 WeakPolarHBondContact O-CB 3.47Å; A666-N670 VanDerWaalsContact O-CG 3.3Å; A666-N670 PolarHBondContact O-N 3.43Å; A666-N670 PolarHBondContact O-ND2 3.04Å
667	N	69.1	Low	63.8	Low	50 Å²	50	53 Å²	53	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-41.7	173.7	-73.4	-27.2	0	0	0	112.1	S663 L665 N670 G671 K672	S663-N667 WeakPolarHBondContact O-CB 3.2Å; S663-N667 VanDerWaalsContact O-CG 3.23Å; S663-N667 PolarHBondContact O-N 3.1Å; S663-N667 PolarHBondContact O-ND2 3.5Å; S663-N667 VanDerWaalsContact O-ND2 3.17Å; L665-N667 VanDerWaalsContact C-N 3.34Å; N667-N670 CarbonylContact O-C 3.54Å; N667-N670 PolarHBondContact O-N 3.31Å; N667-G671 PolarHBondContact O-N 3.47Å; N667-G671 VanDerWaalsContact O-N 3.09Å; N667-K672 HydrophobicContact CB-CB 4.17Å; N667-K672 PolarHBondContact O-N 3.22Å
668	L	70.8	Confident	64	Low	11 Å²	11	54 Å²	54	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-46.2	175.4	-178.5	152.6	0	0	0	111.4	S664 L665 N670 G671 Y674 F686 I689 E690 V693	S664-L668 WeakPolarHBondContact O-CB 3.12Å; S664-L668 PolarHBondContact O-N 3.44Å; L665-L668 PolarHBondContact O-N 3.38Å; L668-N670 VanDerWaalsContact C-N 3.3Å; L668-N670 PolarHBondContact O-N 3.1Å; L668-G671 PolarHBondContact O-N 3.19Å; L668-Y674 HydrophobicContact CB-CD1 4.06Å; L668-Y674 HydrophobicContact CB-CE1 4.29Å; L668-Y674 HydrophobicContact CB-CG 4.41Å; L668-Y674 HydrophobicContact CD1-CD1 4.49Å; L668-Y674 HydrophobicContact CD1-CE1 3.99Å; L668-Y674 HydrophobicContact CD1-CE2 4.2Å; L668-Y674 HydrophobicContact CG-CD1 4.42Å; L668-Y674 HydrophobicContact CG-CE1 4.14Å; L668-F686 HydrophobicContact CD1-CB 4.49Å; L668-F686 HydrophobicContact CD1-CD1 3.82Å; L668-I689 HydrophobicContact CD2-CG2 3.74Å; L668-E690 HydrophobicContact CD1-CB 4.43Å; L668-V693 HydrophobicContact CD2-CG2 4.09Å
669	V	67.9	Low	64.1	Low	2 Å²	2	55.3 Å²	55.3	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-34.3	178.7	164	0	0	0	0	112.2	V597 L599 L609 L665 A666 V693	V597-V669 HydrophobicContact CG2-CB 4.5Å; V597-V669 HydrophobicContact CG2-CG1 4.49Å; V597-V669 HydrophobicContact CG2-CG2 4.09Å; L599-V669 HydrophobicContact CB-CG1 4.44Å; L599-V669 HydrophobicContact CD1-CG1 3.54Å; L609-V669 HydrophobicContact CD2-CB 4.24Å; L609-V669 HydrophobicContact CD2-CG1 3.38Å; L609-V669 HydrophobicContact CD2-CG2 3.78Å; L665-V669 WeakPolarHBondContact O-CB 3.15Å; L665-V669 VanDerWaalsContact O-CG2 3.27Å; L665-V669 WeakPolarHBondContact O-CG2 3.23Å; L665-V669 PolarHBondContact O-N 2.98Å; A666-V669 PolarHBondContact O-N 3.26Å; V669-V693 HydrophobicContact CG2-CG2 4.28Å
670	N	64.4	Low	64.1	Low	35 Å²	35	51.1 Å²	51.1	19%	0.187	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6	177.4	-67	-43.5	0	0	0	113.6	G598 E600 A666 N667 L668 K672	G598-N670 PolarHBondContact O-ND2 2.71Å; E600-N670 PolarHBondContact N-OD1 3.14Å; A666-N670 VanDerWaalsContact O-CB 3.32Å; A666-N670 WeakPolarHBondContact O-CB 3.47Å; A666-N670 VanDerWaalsContact O-CG 3.3Å; A666-N670 PolarHBondContact O-N 3.43Å; A666-N670 PolarHBondContact O-ND2 3.04Å; N667-N670 CarbonylContact O-C 3.54Å; N667-N670 PolarHBondContact O-N 3.31Å; L668-N670 VanDerWaalsContact C-N 3.3Å; L668-N670 PolarHBondContact O-N 3.1Å; N670-K672 VanDerWaalsContact C-N 3.26Å; N670-K672 HydrophobicContact CB-CG 4.49Å; N670-K672 PolarHBondContact O-N 2.86Å
671	G	60.3	Low	63.9	Low	74 Å²	74	55.7 Å²	55.7	76%	0.763	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	20.2	179.3	0	0	0	0	0	115.2	N667 L668	N667-G671 PolarHBondContact O-N 3.47Å; N667-G671 VanDerWaalsContact O-N 3.09Å; L668-G671 PolarHBondContact O-N 3.19Å
672	K	69.4	Low	63.7	Low	82 Å²	82	57.3 Å²	57.3	36%	0.357	32%	0.323	S	S	.	.			trans	-87.8	151.1	178.1	-69.4	177.5	-175.5	172.2	0	110.7	E600 N667 N670 Y674	E600-K672 IonicContact OE1-NZ 2.84Å; E600-K672 PolarHBondContact OE1-NZ 3.3Å; E600-K672 IonicContact OE2-NZ 3.39Å; E600-K672 PolarHBondContact OE2-NZ 3.04Å; N667-K672 HydrophobicContact CB-CB 4.17Å; N667-K672 PolarHBondContact O-N 3.22Å; N670-K672 VanDerWaalsContact C-N 3.26Å; N670-K672 HydrophobicContact CB-CG 4.49Å; N670-K672 PolarHBondContact O-N 2.86Å; K672-Y674 PolarHBondContact O-N 3.32Å
673	P	59.6	Low	63.5	Low	133 Å²	133	58.1 Å²	58.1	86%	0.864	34%	0.335	S	S	*	.			trans	-59.6	115.7	176.4	23.2	-32.3	0	0	0	110.3
674	Y	62.8	Low	63.5	Low	61 Å²	61	59 Å²	59	24%	0.239	34%	0.335	C	S	.	.			trans	-105.2	145.1	-179.5	63.7	-87.7	0	0	0	110.9	L668 K672 I676 F686 E690	L668-Y674 HydrophobicContact CB-CD1 4.06Å; L668-Y674 HydrophobicContact CB-CE1 4.29Å; L668-Y674 HydrophobicContact CB-CG 4.41Å; L668-Y674 HydrophobicContact CD1-CD1 4.49Å; L668-Y674 HydrophobicContact CD1-CE1 3.99Å; L668-Y674 HydrophobicContact CD1-CE2 4.2Å; L668-Y674 HydrophobicContact CG-CD1 4.42Å; L668-Y674 HydrophobicContact CG-CE1 4.14Å; K672-Y674 PolarHBondContact O-N 3.32Å; Y674-I676 HydrophobicContact CD2-CG1 4Å; Y674-I676 HydrophobicContact CE2-CD1 4.1Å; Y674-I676 HydrophobicContact CE2-CG1 3.75Å; Y674-F686 HydrophobicContact CD2-CD1 4.42Å; Y674-F686 HydrophobicContact CE2-CD1 4.08Å; Y674-E690 PolarHBondContact OH-OE1 2.81Å
675	K	59.1	Low	63.6	Low	180 Å²	180	58.6 Å²	58.6	78%	0.783	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-100.6	123.9	169.4	-76	-179	179.4	174.1	0	109	S664 T677	S664-K675 PolarHBondContact OG-O 3.44Å; K675-T677 PolarHBondContact O-N 2.99Å
676	I	59.4	Low	63.4	Low	79 Å²	79	58.7 Å²	58.7	41%	0.405	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-74.6	121.6	169.8	-57.7	177.4	0	0	0	107.2	Y674 I680 F686	Y674-I676 HydrophobicContact CD2-CG1 4Å; Y674-I676 HydrophobicContact CE2-CD1 4.1Å; Y674-I676 HydrophobicContact CE2-CG1 3.75Å; I676-I680 HydrophobicContact CG2-CD1 4.02Å; I676-F686 HydrophobicContact CD1-CB 4.43Å; I676-F686 HydrophobicContact CD1-CG 4.45Å; I676-F686 HydrophobicContact CG1-CG 4.48Å; I676-F686 HydrophobicContact CG2-CD2 4.48Å; I676-F686 HydrophobicContact CG2-CE2 4.43Å
677	T	57.3	Low	63.4	Low	53 Å²	53	63.7 Å²	63.7	33%	0.325	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-76.2	134	177.1	-51	0	0	0	0	108.5	K675 T679 I680	K675-T677 PolarHBondContact O-N 2.99Å; T677-T679 VanDerWaalsContact CG2-OG1 3.22Å; T677-T679 WeakPolarHBondContact CG2-OG1 3.18Å; T677-T679 PolarHBondContact O-N 3.35Å; T677-I680 WeakPolarHBondContact O-CD1 3.37Å; T677-I680 VanDerWaalsContact O-CG1 3.28Å; T677-I680 WeakPolarHBondContact O-CG1 3.46Å; T677-I680 PolarHBondContact O-N 2.97Å
678	P	55.5	Low	63.3	Low	78 Å²	78	65.3 Å²	65.3	51%	0.506	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.6	-176.7	25.5	-34.2	0	0	0	114.5	E215 I680	E215-P678 HydrophobicContact CG-CG 3.84Å; P678-I680 VanDerWaalsContact C-N 3.29Å
679	T	57.4	Low	63.2	Low	33 Å²	33	64.8 Å²	64.8	20%	0.202	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.1	179.3	50.1	0	0	0	0	114.3	F211 T655 R656 T677	F211-T679 HydrophobicContact CD1-CG2 4.11Å; F211-T679 HydrophobicContact CE1-CG2 3.35Å; F211-T679 HydrophobicContact CZ-CG2 4.11Å; T655-T679 WeakPolarHBondContact CA-O 3.46Å; R656-T679 PolarHBondContact N-O 3.36Å; R656-T679 VanDerWaalsContact N-O 3.09Å; T677-T679 VanDerWaalsContact CG2-OG1 3.22Å; T677-T679 WeakPolarHBondContact CG2-OG1 3.18Å; T677-T679 PolarHBondContact O-N 3.35Å
680	I	64.9	Low	63.3	Low	14 Å²	14	68.2 Å²	68.2	7%	0.072	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-79.4	139.3	-177.9	-64.8	174.3	0	0	0	109.7	P653 T655 P661 I676 T677 P678 F686	P653-I680 HydrophobicContact CB-CG2 4.39Å; T655-I680 HydrophobicContact CG2-CG1 4.25Å; P661-I680 HydrophobicContact CG-CD1 4.03Å; I676-I680 HydrophobicContact CG2-CD1 4.02Å; T677-I680 WeakPolarHBondContact O-CD1 3.37Å; T677-I680 VanDerWaalsContact O-CG1 3.28Å; T677-I680 WeakPolarHBondContact O-CG1 3.46Å; T677-I680 PolarHBondContact O-N 2.97Å; P678-I680 VanDerWaalsContact C-N 3.29Å; I680-F686 HydrophobicContact CD1-CE2 3.4Å; I680-F686 VanDerWaalsContact CD1-CE2 3.4Å; I680-F686 HydrophobicContact CD1-CZ 3.63Å; I680-F686 HydrophobicContact CG2-CE2 4.16Å
681	E	61.9	Low	63.4	Low	113 Å²	113	74.7 Å²	74.7	53%	0.528	39%	0.393	S	S	.	.	S	Bend	trans	-66	-38.5	-177.8	-68.4	-165.8	143.8	0	0	112.9	K654 R656	K654-E681 PolarHBondContact O-N 2.82Å; R656-E681 HydrophobicContact CG-CG 3.74Å
682	D	62.5	Low	63.8	Low	51 Å²	51	74.4 Å²	74.4	27%	0.273	37%	0.372	S	S	.	.			trans	-142.9	108.1	-176.7	-168.6	-16.2	0	0	0	110.6	R651 D684 V685	R651-D682 IonicContact NH1-OD2 3.56Å; R651-D682 PolarHBondContact NH1-OD2 2.81Å; D682-D684 VanDerWaalsContact C-N 3.31Å; D682-D684 PolarHBondContact O-N 2.91Å; D682-D684 PolarHBondContact OD1-N 3.46Å; D682-V685 HydrophobicContact CB-CG2 3.93Å
683	P	63.3	Low	63.7	Low	70 Å²	70	71 Å²	71	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.8	178.4	-18.7	31.7	0	0	0	114.1	V685 F686	P683-V685 PolarHBondContact O-N 3.13Å; P683-F686 PolarHBondContact O-N 3.02Å
684	D	65.4	Low	64	Low	83 Å²	83	69.7 Å²	69.7	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-72.4	-18.1	-174.3	-73.1	-41.3	0	0	0	112.3	D682 F686 K687 D688	D682-D684 VanDerWaalsContact C-N 3.31Å; D682-D684 PolarHBondContact O-N 2.91Å; D682-D684 PolarHBondContact OD1-N 3.46Å; D684-F686 PolarHBondContact O-N 3.36Å; D684-K687 PolarHBondContact O-N 2.91Å; D684-K687 VanDerWaalsContact O-N 3.1Å; D684-K687 IonicContact OD1-NZ 2.95Å; D684-K687 PolarHBondContact OD1-NZ 2.99Å; D684-D688 PolarHBondContact O-N 2.98Å
685	V	68.3	Low	63.9	Low	7 Å²	7	69.8 Å²	69.8	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-30.5	172.5	-178	0	0	0	0	112.1	R651 P653 D682 P683 D688 I689	R651-V685 HydrophobicContact CB-CG1 4.31Å; R651-V685 HydrophobicContact CB-CG2 4.28Å; R651-V685 VanDerWaalsContact O-CG1 3.24Å; R651-V685 WeakPolarHBondContact O-CG1 3.33Å; P653-V685 HydrophobicContact CB-CB 4.49Å; P653-V685 HydrophobicContact CB-CG1 4.22Å; P653-V685 HydrophobicContact CG-CG1 4.49Å; D682-V685 HydrophobicContact CB-CG2 3.93Å; P683-V685 PolarHBondContact O-N 3.13Å; V685-D688 PolarHBondContact O-N 3.33Å; V685-I689 HydrophobicContact CG1-CD1 3.99Å; V685-I689 HydrophobicContact CG1-CG1 4.46Å; V685-I689 VanDerWaalsContact O-CG1 3.29Å; V685-I689 WeakPolarHBondContact O-CG1 3.49Å; V685-I689 PolarHBondContact O-N 2.92Å; V685-I689 VanDerWaalsContact O-N 3.1Å
686	F	65.5	Low	64.1	Low	1 Å²	1	63.2 Å²	63.2	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-67	-37.5	176.7	-78.8	-92.5	0	0	0	112.2	P653 P661 L665 L668 Y674 I676 I680 P683 D684 I689 E690	P653-F686 HydrophobicContact CB-CD2 4.13Å; P653-F686 HydrophobicContact CB-CE2 3.4Å; P653-F686 VanDerWaalsContact CB-CE2 3.4Å; P653-F686 HydrophobicContact CB-CZ 3.72Å; P653-F686 HydrophobicContact CG-CE1 4.37Å; P653-F686 HydrophobicContact CG-CE2 3.98Å; P653-F686 HydrophobicContact CG-CZ 3.82Å; P661-F686 HydrophobicContact CG-CZ 3.93Å; L665-F686 HydrophobicContact CD2-CE1 4.37Å; L668-F686 HydrophobicContact CD1-CB 4.49Å; L668-F686 HydrophobicContact CD1-CD1 3.82Å; Y674-F686 HydrophobicContact CD2-CD1 4.42Å; Y674-F686 HydrophobicContact CE2-CD1 4.08Å; I676-F686 HydrophobicContact CD1-CB 4.43Å; I676-F686 HydrophobicContact CD1-CG 4.45Å; I676-F686 HydrophobicContact CG1-CG 4.48Å; I676-F686 HydrophobicContact CG2-CD2 4.48Å; I676-F686 HydrophobicContact CG2-CE2 4.43Å; I680-F686 HydrophobicContact CD1-CE2 3.4Å; I680-F686 VanDerWaalsContact CD1-CE2 3.4Å; I680-F686 HydrophobicContact CD1-CZ 3.63Å; I680-F686 HydrophobicContact CG2-CE2 4.16Å; P683-F686 PolarHBondContact O-N 3.02Å; D684-F686 PolarHBondContact O-N 3.36Å; F686-I689 PolarHBondContact O-N 3.06Å; F686-E690 WeakPolarHBondContact O-CB 3.11Å; F686-E690 PolarHBondContact O-N 3.47Å
687	K	65.7	Low	64	Low	127 Å²	127	66.2 Å²	66.2	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-68.5	-37.9	178.1	-63	175.4	-173.3	152.6	0	111.4	D684 E690 R691	D684-K687 PolarHBondContact O-N 2.91Å; D684-K687 VanDerWaalsContact O-N 3.1Å; D684-K687 IonicContact OD1-NZ 2.95Å; D684-K687 PolarHBondContact OD1-NZ 2.99Å; K687-E690 PolarHBondContact O-N 2.95Å; K687-R691 WeakPolarHBondContact O-CB 3.4Å; K687-R691 PolarHBondContact O-N 3.29Å
688	D	68.6	Low	63.7	Low	84 Å²	84	71.8 Å²	71.8	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-42.5	175.5	-75.2	-18.7	0	0	0	111.3	D684 V685 Q692	D684-D688 PolarHBondContact O-N 2.98Å; V685-D688 PolarHBondContact O-N 3.33Å; D688-Q692 VanDerWaalsContact O-CG 3.31Å; D688-Q692 WeakPolarHBondContact O-CG 3.08Å; D688-Q692 PolarHBondContact O-N 3.22Å; D688-Q692 VanDerWaalsContact O-N 3.08Å
689	I	69.1	Low	63.4	Low	1 Å²	1	77.2 Å²	77.2	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-44.1	176.7	-65.2	172.5	0	0	0	110.6	V649 P653 L665 L668 V685 F686 R691 Q692 V693	V649-I689 HydrophobicContact CG1-CG1 4.09Å; P653-I689 HydrophobicContact CG-CD1 4.18Å; L665-I689 HydrophobicContact CD2-CD1 3.85Å; L665-I689 HydrophobicContact CD2-CG2 4.5Å; L668-I689 HydrophobicContact CD2-CG2 3.74Å; V685-I689 HydrophobicContact CG1-CD1 3.99Å; V685-I689 HydrophobicContact CG1-CG1 4.46Å; V685-I689 VanDerWaalsContact O-CG1 3.29Å; V685-I689 WeakPolarHBondContact O-CG1 3.49Å; V685-I689 PolarHBondContact O-N 2.92Å; V685-I689 VanDerWaalsContact O-N 3.1Å; F686-I689 PolarHBondContact O-N 3.06Å; I689-R691 VanDerWaalsContact C-N 3.32Å; I689-R691 PolarHBondContact O-N 2.94Å; I689-Q692 PolarHBondContact O-N 2.95Å; I689-Q692 VanDerWaalsContact O-N 3.16Å; I689-V693 HydrophobicContact CG2-CG2 4.08Å; I689-V693 WeakPolarHBondContact O-CB 3.27Å; I689-V693 VanDerWaalsContact O-CG2 3.23Å; I689-V693 WeakPolarHBondContact O-CG2 3.47Å; I689-V693 PolarHBondContact O-N 2.79Å
690	E	69.3	Low	62.9	Low	74 Å²	74	82.3 Å²	82.3	35%	0.346	37%	0.373	S	S	.	.	H	α-helix	trans	-56.9	-45.5	176.7	-170.6	167.6	-127.2	0	0	111.4	L668 Y674 F686 K687 Q692 V693 E694	L668-E690 HydrophobicContact CD1-CB 4.43Å; Y674-E690 PolarHBondContact OH-OE1 2.81Å; F686-E690 WeakPolarHBondContact O-CB 3.11Å; F686-E690 PolarHBondContact O-N 3.47Å; K687-E690 PolarHBondContact O-N 2.95Å; E690-Q692 PolarHBondContact O-N 3.41Å; E690-V693 PolarHBondContact O-N 2.91Å; E690-E694 WeakPolarHBondContact O-CB 3.07Å; E690-E694 WeakPolarHBondContact O-CG 3.33Å; E690-E694 PolarHBondContact O-N 2.84Å
691	R	67.1	Low	61.5	Low	171 Å²	171	85.7 Å²	85.7	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-63	-39.6	175.9	-170.4	178.5	-178.3	-176.1	0.1	113	K687 I689 N695	K687-R691 WeakPolarHBondContact O-CB 3.4Å; K687-R691 PolarHBondContact O-N 3.29Å; I689-R691 VanDerWaalsContact C-N 3.32Å; I689-R691 PolarHBondContact O-N 2.94Å; R691-N695 WeakPolarHBondContact O-CB 3.34Å; R691-N695 PolarHBondContact O-N 2.67Å; R691-N695 PolarHBondContact O-ND2 3.11Å
692	Q	68.4	Low	60	Low	67 Å²	67	89.9 Å²	89.9	31%	0.313	43%	0.429	S	S	.	.	H	α-helix	trans	-70.7	-39	177.6	-71.4	-65.8	-10.1	0	0	112	D688 I689 E690 N695 V696	D688-Q692 VanDerWaalsContact O-CG 3.31Å; D688-Q692 WeakPolarHBondContact O-CG 3.08Å; D688-Q692 PolarHBondContact O-N 3.22Å; D688-Q692 VanDerWaalsContact O-N 3.08Å; I689-Q692 PolarHBondContact O-N 2.95Å; I689-Q692 VanDerWaalsContact O-N 3.16Å; E690-Q692 PolarHBondContact O-N 3.41Å; Q692-N695 PolarHBondContact O-N 2.73Å; Q692-V696 PolarHBondContact O-N 2.92Å
693	V	67.1	Low	59.9	Low	11 Å²	11	91.9 Å²	91.9	7%	0.067	44%	0.437	C	S	.	.	H	α-helix	trans	-61.7	-53.1	173.9	171.3	0	0	0	0	109.2	L647 L668 V669 I689 E690 N695 V696 W697	L647-V693 HydrophobicContact CD1-CG2 3.99Å; L668-V693 HydrophobicContact CD2-CG2 4.09Å; V669-V693 HydrophobicContact CG2-CG2 4.28Å; I689-V693 HydrophobicContact CG2-CG2 4.08Å; I689-V693 WeakPolarHBondContact O-CB 3.27Å; I689-V693 VanDerWaalsContact O-CG2 3.23Å; I689-V693 WeakPolarHBondContact O-CG2 3.47Å; I689-V693 PolarHBondContact O-N 2.79Å; E690-V693 PolarHBondContact O-N 2.91Å; V693-N695 VanDerWaalsContact C-N 3.29Å; V693-N695 PolarHBondContact O-N 3.07Å; V693-V696 PolarHBondContact O-N 3.33Å; V693-W697 VanDerWaalsContact CG1-NE1 3.28Å; V693-W697 PolarHBondContact O-N 3.35Å
694	E	64.9	Low	59.7	Low	106 Å²	106	93 Å²	93	50%	0.495	44%	0.436	S	S	.	.	H	α-helix	trans	-54.6	-40.2	176.6	-77.5	-173.6	169.5	0	0	113.5	E690 V696 W697 R698	E690-E694 WeakPolarHBondContact O-CB 3.07Å; E690-E694 WeakPolarHBondContact O-CG 3.33Å; E690-E694 PolarHBondContact O-N 2.84Å; E694-V696 VanDerWaalsContact C-N 3.31Å; E694-V696 PolarHBondContact O-N 3.19Å; E694-W697 PolarHBondContact O-N 2.88Å; E694-R698 PolarHBondContact O-N 3.49Å
695	N	62	Low	59.4	Low	62 Å²	62	93.6 Å²	93.6	33%	0.332	44%	0.436	S	S	.	.	H	α-helix	trans	-63.4	-35.3	177	-75	-23.9	0	0	0	112.7	R691 Q692 V693 R699	R691-N695 WeakPolarHBondContact O-CB 3.34Å; R691-N695 PolarHBondContact O-N 2.67Å; R691-N695 PolarHBondContact O-ND2 3.11Å; Q692-N695 PolarHBondContact O-N 2.73Å; V693-N695 VanDerWaalsContact C-N 3.29Å; V693-N695 PolarHBondContact O-N 3.07Å; N695-R699 WeakPolarHBondContact O-CG 3.34Å; N695-R699 PolarHBondContact O-N 2.63Å
696	V	62.3	Low	58.9	Low	42 Å²	42	98.6 Å²	98.6	26%	0.255	46%	0.459	S	S	.	.	H	α-helix	trans	-78.1	-37	177.8	172.5	0	0	0	0	112.1	L647 Q692 V693 E694 R698 R699 H700	L647-V696 HydrophobicContact CD2-CB 3.85Å; L647-V696 HydrophobicContact CD2-CG1 4.03Å; L647-V696 HydrophobicContact CD2-CG2 3.26Å; Q692-V696 PolarHBondContact O-N 2.92Å; V693-V696 PolarHBondContact O-N 3.33Å; E694-V696 VanDerWaalsContact C-N 3.31Å; E694-V696 PolarHBondContact O-N 3.19Å; V696-R698 VanDerWaalsContact C-N 3.32Å; V696-R698 PolarHBondContact O-N 3.09Å; V696-R699 PolarHBondContact O-N 3.42Å; V696-H700 PolarHBondContact O-N 2.85Å
697	W	57.8	Low	58.4	Low	142 Å²	142	104.8 Å²	104.8	54%	0.538	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-35.1	172.7	-72	98.4	0	0	0	112.3	L599 V693 E694 H700 A701	L599-W697 HydrophobicContact CD1-CH2 4.25Å; L599-W697 HydrophobicContact CD1-CZ2 3.8Å; V693-W697 VanDerWaalsContact CG1-NE1 3.28Å; V693-W697 PolarHBondContact O-N 3.35Å; E694-W697 PolarHBondContact O-N 2.88Å; W697-H700 PolarHBondContact O-N 2.64Å; W697-A701 PolarHBondContact O-N 2.78Å
698	R	50.3	Low	58	Low	171 Å²	171	103.3 Å²	103.3	65%	0.645	48%	0.483	S	S	*	.	H	α-helix	trans	-65.5	-40.8	171.9	-77.6	-176	-175.9	168.6	5.7	112.9	E694 V696 H700 A701 D702	E694-R698 PolarHBondContact O-N 3.49Å; V696-R698 VanDerWaalsContact C-N 3.32Å; V696-R698 PolarHBondContact O-N 3.09Å; R698-H700 PolarHBondContact O-N 2.77Å; R698-A701 PolarHBondContact O-N 2.86Å; R698-D702 PolarHBondContact O-N 3.24Å
699	R	49.8	Very low	57.2	Low	191 Å²	191	104.6 Å²	104.6	72%	0.721	49%	0.485	S	S	*	.	H	α-helix	trans	-68.8	-14.2	177.2	-75.9	179.7	-179.6	175.6	1.2	114.8	N695 V696	N695-R699 WeakPolarHBondContact O-CG 3.34Å; N695-R699 PolarHBondContact O-N 2.63Å; V696-R699 PolarHBondContact O-N 3.42Å
700	H	46	Very low	56.3	Low	141 Å²	141	112.6 Å²	112.6	65%	0.653	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-6.4	174.9	-78.4	-39.7	0	0	0	113.5	V696 W697 R698	V696-H700 PolarHBondContact O-N 2.85Å; W697-H700 PolarHBondContact O-N 2.64Å; R698-H700 PolarHBondContact O-N 2.77Å
701	A	35.8	Very low	55.2	Low	85 Å²	85	115.8 Å²	115.8	70%	0.702	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-18.3	177.3	0	0	0	0	0	113.4	W697 R698	W697-A701 PolarHBondContact O-N 2.78Å; R698-A701 PolarHBondContact O-N 2.86Å
702	D	30.8	Very low	54.1	Low	201 Å²	201	110.8 Å²	110.8	100%	1.075	53%	0.527	S	S	*	.			trans	-91.9	0	164	-67.3	-30.5	0	0	0	110.2	R698	R698-D702 PolarHBondContact O-N 3.24Å

Retrieved 702 of 702 residues in 229.5 ms (Link to these results)

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