A0A2K5YPT8_MANLE Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes. Negative regulator of DNA damage repair which specifically deubiquitinates monoubiquitinated FANCD2. Also involved in PCNA-mediated translesion synthesis (TLS) by deubiquitinating monoubiquitinated PCNA. Has almost no deubiquitinating activity by itself and requires the interaction with WDR48 to have a high activity.

AlphaFold DB , UniProt , Accession A0A2K5YPT8, Species MANLE (Mandrillus leucophaeus, Drill), Gene USP1, Length 785 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.5	Very low	36.1	Very low	237 Å²	237	128.8 Å²	128.8	100%	1.167	79%	0.788	S	S	*	*				0	154.8	0	-74.9	179.6	66.8	0	0	108.6
2	P	46.3	Very low	35.7	Very low	130 Å²	130	132.9 Å²	132.9	84%	0.844	80%	0.8	S	S	*	*			cis	-105.9	-175.3	-29.4	37.2	-24.7	0	0	0	109.8
3	G	30.8	Very low	35.5	Very low	59 Å²	59	130.4 Å²	130.4	61%	0.608	79%	0.792	S	S	*	*			cis	-160.7	154.4	-8.1	0	0	0	0	0	107.5
4	V	37.4	Very low	35.3	Very low	135 Å²	135	138.6 Å²	138.6	82%	0.818	80%	0.802	S	S	*	*				65.9	127	53.8	-177.6	0	0	0	0	109.5
5	I	41.9	Very low	34.8	Very low	158 Å²	158	134.6 Å²	134.6	81%	0.81	80%	0.802	S	S	*	*				-149.5	-175.8	73.3	-11.5	176.3	0	0	0	113.1
6	P	54.5	Low	34.7	Very low	103 Å²	103	133.4 Å²	133.4	67%	0.669	80%	0.802	S	S	*	*				-139.6	-147.5	-109.1	49.9	-29.8	0	0	0	116.3
7	S	33.3	Very low	35.4	Very low	101 Å²	101	132 Å²	132	71%	0.706	80%	0.797	S	S	*	*			trans	76.1	139.1	155.2	58.3	0	0	0	0	118.4
8	E	34	Very low	35.1	Very low	174 Å²	174	130 Å²	130	81%	0.813	79%	0.79	S	S	*	*			cis	-162.7	-175.7	-9.6	-121	-152.7	-99.2	0	0	109.1
9	S	32.2	Very low	35.1	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	79%	0.79	S	S	*	*			cis	-140.9	-90.8	9.5	53.2	0	0	0	0	114.1
10	N	30.7	Very low	35.3	Very low	153 Å²	153	135.6 Å²	135.6	82%	0.818	79%	0.792	S	S	*	*			trans	-138.2	162.3	-160.6	-79.4	-65.3	0	0	0	113.4
11	G	29	Very low	35.1	Very low	73 Å²	73	136.9 Å²	136.9	75%	0.753	80%	0.796	S	S	*	*			trans	-137.7	-179.8	176.5	0	0	0	0	0	114
12	L	31.2	Very low	35.5	Very low	178 Å²	178	135.5 Å²	135.5	93%	0.932	78%	0.777	S	S	*	*			trans	-135.9	147.1	178.2	-93.9	168.3	0	0	0	112.7
13	S	32.8	Very low	34.7	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	77%	0.773	S	S	*	*			trans	-82.5	173.5	179.9	70.5	0	0	0	0	112.5
14	R	33.2	Very low	34.8	Very low	246 Å²	246	138.2 Å²	138.2	93%	0.928	78%	0.778	S	S	*	*			cis	-167.6	148.5	22.2	-148.1	172.2	-168.8	-173	5.4	109.6
15	G	27.2	Very low	34.3	Very low	78 Å²	78	140 Å²	140	80%	0.804	78%	0.782	S	S	*	*			trans	-179.1	142.9	171.7	0	0	0	0	0	116.5
16	S	33.7	Very low	33.7	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	78%	0.779	S	S	*	*			trans	-174.3	174.1	176.6	70.1	0	0	0	0	109.6
17	P	46.2	Very low	32.5	Very low	109 Å²	109	144 Å²	144	71%	0.708	78%	0.783	S	S	*	*			cis	-140.4	179.9	-3.3	42.1	-24	0	0	0	117.1
18	S	29.4	Very low	32.4	Very low	96 Å²	96	147.1 Å²	147.1	67%	0.671	78%	0.784	S	S	*	*			trans	100.1	138.7	134.8	85.8	0	0	0	0	125.1
19	K	36.5	Very low	32.3	Very low	184 Å²	184	146.7 Å²	146.7	80%	0.8	78%	0.782	S	S	*	*			trans	72.3	117.7	142.3	-73	164.4	-177.2	171.4	0	123.9
20	K	38.3	Very low	32.2	Very low	187 Å²	187	152.6 Å²	152.6	81%	0.813	80%	0.796	S	S	*	*			trans	55.5	134.8	135.1	-61.6	-175.7	177	-174.4	0	121.6
21	N	30.2	Very low	32.4	Very low	164 Å²	164	152.9 Å²	152.9	88%	0.877	79%	0.79	S	S	*	*				-167.9	178.8	111.8	-111.1	-22.6	0	0	0	116.7
22	R	36.2	Very low	32.5	Very low	208 Å²	208	155.8 Å²	155.8	79%	0.785	78%	0.784	S	S	*	*			trans	-113.7	176.9	178.5	-77.3	171.3	50.7	165.9	-3.8	111.4
23	L	30	Very low	32.4	Very low	145 Å²	145	154.3 Å²	154.3	76%	0.759	78%	0.782	S	S	*	*			trans	78.3	160	162.3	-48.1	179.7	0	0	0	114.6
24	S	32.1	Very low	32.4	Very low	100 Å²	100	158.8 Å²	158.8	70%	0.699	79%	0.789	S	S	*	*			cis	-174.2	170.1	-33.9	61.6	0	0	0	0	107.3
25	L	27.7	Very low	32.3	Very low	172 Å²	172	158.6 Å²	158.6	90%	0.901	79%	0.789	S	S	*	*			trans	-154.9	169	162	-114.3	164.8	0	0	0	113.5
26	K	29.4	Very low	32.4	Very low	174 Å²	174	159.1 Å²	159.1	76%	0.757	79%	0.785	S	S	*	*			trans	-153	130.6	-165.1	-93.7	-170.9	175.5	-174.4	0	111.1
27	F	29.9	Very low	32.1	Very low	171 Å²	171	161 Å²	161	75%	0.75	79%	0.786	S	S	*	*			trans	57	175	152.8	-72.5	-96	0	0	0	116.9
28	F	29.5	Very low	31.3	Very low	168 Å²	168	162.2 Å²	162.2	74%	0.737	79%	0.786	S	S	*	*			cis	-140.3	170.6	0.5	-131	-68.4	0	0	0	110.6
29	Q	33.4	Very low	31.2	Very low	165 Å²	165	167.3 Å²	167.3	77%	0.771	80%	0.796	S	S	*	*			trans	-70.3	167.9	-179.3	-56.7	154.9	-37.4	0	0	115.6
30	K	29.8	Very low	31.1	Very low	218 Å²	218	163.8 Å²	163.8	95%	0.948	79%	0.79	S	S	*	*			trans	-140.7	171.8	145.1	-121	177.1	-177.6	-178.7	0	111.6
31	K	33.8	Very low	30.5	Very low	159 Å²	159	162 Å²	162	69%	0.691	79%	0.789	S	S	*	*			trans	-122.8	148.3	-148.6	-104.9	-179.8	152.9	-127.1	0	115.4
32	E	31.9	Very low	30.7	Very low	134 Å²	134	159.9 Å²	159.9	63%	0.626	79%	0.788	S	S	*	*			trans	48.5	124.2	136.6	-64.3	163.6	165.1	0	0	122.2
33	T	29.1	Very low	30.2	Very low	146 Å²	146	159.3 Å²	159.3	90%	0.896	79%	0.794	S	S	*	*				-135.1	171.9	122.2	49.6	0	0	0	0	109.5
34	K	33	Very low	30.1	Very low	194 Å²	194	159.9 Å²	159.9	84%	0.843	79%	0.793	S	S	*	*			trans	-145.8	162.1	-179.6	-74.3	-171.5	176.6	-174.4	0	111.5
35	R	30.5	Very low	29.9	Very low	243 Å²	243	160.9 Å²	160.9	92%	0.917	79%	0.791	S	S	*	*			trans	101.2	152.8	142.6	-155.3	-178.6	-162	179.6	5.2	117.2
36	A	28.9	Very low	29.9	Very low	88 Å²	88	162.2 Å²	162.2	73%	0.727	79%	0.792	S	S	*	*			trans	72.8	152.6	174.5	0	0	0	0	0	114.6
37	L	27.5	Very low	29.8	Very low	157 Å²	157	161.9 Å²	161.9	82%	0.822	79%	0.793	S	S	*	*			cis	-171.6	179.6	-37.9	-118.8	166.4	0	0	0	105.2
38	D	30.7	Very low	29.7	Very low	133 Å²	133	163.2 Å²	163.2	71%	0.711	80%	0.799	S	S	*	*			trans	-55.7	148.7	173.2	-52.8	-80.3	0	0	0	112.9
39	F	26.9	Very low	29.5	Very low	203 Å²	203	159.5 Å²	159.5	89%	0.89	80%	0.799	S	S	*	*				-161.1	146.4	126.3	-103	-65	0	0	0	110.9
40	T	34.1	Very low	29.2	Very low	110 Å²	110	156.5 Å²	156.5	68%	0.675	80%	0.797	S	S	*	*			trans	-67.7	144.4	156.2	53.5	0	0	0	0	109.1
41	D	26.1	Very low	29.1	Very low	149 Å²	149	154.6 Å²	154.6	80%	0.797	79%	0.791	S	S	*	*				-178.8	149.8	109.1	-86	-10.4	0	0	0	110.9
42	S	33.2	Very low	28.8	Very low	121 Å²	121	156 Å²	156	85%	0.846	79%	0.793	S	S	*	*			trans	-78.6	142.6	167.4	-60.7	0	0	0	0	109.3
43	Q	27.6	Very low	28.6	Very low	196 Å²	196	160 Å²	160	92%	0.916	80%	0.803	S	S	*	*			trans	-126.8	112.7	165.4	-145.6	-179.7	-2.2	0	0	111.4
44	E	26.6	Very low	28.3	Very low	156 Å²	156	157.2 Å²	157.2	73%	0.729	79%	0.794	S	S	*	*			trans	-65.8	170.1	161.1	-38.8	173.3	157.8	0	0	109.3
45	N	27.5	Very low	28.2	Very low	122 Å²	122	153.1 Å²	153.1	65%	0.652	79%	0.79	S	S	*	*			cis	-152.7	161.8	16.5	-99.8	-62.6	0	0	0	107.8
46	E	28.1	Very low	28.2	Very low	200 Å²	200	149.2 Å²	149.2	94%	0.935	78%	0.782	S	S	*	*				-154.3	146	123.6	-126.8	-179	-161.9	0	0	111.4
47	E	28.5	Very low	28.2	Very low	166 Å²	166	151.8 Å²	151.8	78%	0.776	78%	0.782	S	S	*	*			trans	-98.1	156.6	-159.2	-50.6	170.4	114.3	0	0	113.9
48	K	26.8	Very low	28.2	Very low	199 Å²	199	150.3 Å²	150.3	87%	0.865	78%	0.775	S	S	*	*				-166.2	129.3	121.6	-107.8	148.9	-169.9	155.7	0	114.5
49	A	25.2	Very low	28.1	Very low	90 Å²	90	151.9 Å²	151.9	74%	0.744	78%	0.778	S	S	*	*			trans	39.3	140	137.2	0	0	0	0	0	121
50	S	28.3	Very low	28.2	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	78%	0.775	S	S	*	*			cis	168.6	136.3	-20.3	45.8	0	0	0	0	106.7
51	E	26.3	Very low	28.1	Very low	177 Å²	177	150 Å²	150	83%	0.827	78%	0.782	S	S	*	*			trans	-175.8	124.2	134.4	-105.9	-178.6	164.4	0	0	114.8
52	Y	27.6	Very low	28.6	Very low	189 Å²	189	148.5 Å²	148.5	74%	0.741	78%	0.781	S	S	*	*			trans	67.7	119	139.4	-89.9	-122.2	0	0	0	124.5
53	R	27.6	Very low	28.2	Very low	219 Å²	219	147.7 Å²	147.7	83%	0.826	78%	0.782	S	S	*	*			trans	93.1	110.3	136	-75.3	-77.3	166.9	-177.4	-0.9	120.7
54	A	23.7	Very low	28.3	Very low	86 Å²	86	142.8 Å²	142.8	71%	0.711	78%	0.775	S	S	*	*			trans	-95.5	161.8	173.9	0	0	0	0	0	114.2
55	S	30	Very low	28.3	Very low	108 Å²	108	144.1 Å²	144.1	76%	0.755	78%	0.781	S	S	*	*			trans	-157.4	123.2	135	-80.4	0	0	0	0	105.9
56	E	30.3	Very low	28.2	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.752	78%	0.784	S	S	*	*				93.1	120.4	54.4	-84.7	-168	145.8	0	0	114.1
57	I	30.6	Very low	28.2	Very low	142 Å²	142	139.3 Å²	139.3	73%	0.728	78%	0.779	S	S	*	*			trans	76.2	140.2	147	-62.5	166.5	0	0	0	115.4
58	D	26.9	Very low	28.3	Very low	127 Å²	127	137 Å²	137	68%	0.679	78%	0.778	S	S	*	*			cis	-140.1	-174.7	14.5	-142.8	-20.4	0	0	0	115.6
59	Q	29.2	Very low	28.5	Very low	165 Å²	165	135.2 Å²	135.2	77%	0.771	78%	0.777	S	S	*	*			trans	-80.5	162.4	-172.8	-57.7	148.4	73.7	0	0	116
60	V	28.8	Very low	28.6	Very low	137 Å²	137	137.7 Å²	137.7	83%	0.83	78%	0.777	S	S	*	*				-180	141.7	114.7	150.3	0	0	0	0	111.3
61	V	30.3	Very low	28.6	Very low	136 Å²	136	138.3 Å²	138.3	82%	0.824	78%	0.78	S	S	*	*			trans	-145	134.8	178.4	176.8	0	0	0	0	105.1
62	P	36.9	Very low	28.9	Very low	118 Å²	118	137.7 Å²	137.7	77%	0.766	78%	0.777	S	S	*	*				-158.6	-168.2	69.6	45.2	-23.7	0	0	0	118.3
63	A	25	Very low	29.2	Very low	105 Å²	105	138.1 Å²	138.1	87%	0.868	78%	0.783	S	S	*	*			trans	95.1	140.7	160.1	0	0	0	0	0	117.3
64	A	29.5	Very low	29.8	Very low	93 Å²	93	136.1 Å²	136.1	77%	0.769	78%	0.775	S	S	*	*			trans	-117.4	152.2	-167.7	0	0	0	0	0	112.5
65	Q	27.8	Very low	31.2	Very low	184 Å²	184	141 Å²	141	86%	0.86	78%	0.784	S	S	*	*			trans	-157.8	142.7	159.2	-119.8	154.5	80.8	0	0	111.7
66	S	25.9	Very low	33	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	78%	0.783	S	S	*	*			trans	30.4	109	163	56.7	0	0	0	0	118.9	P68	S66-P68 WeakPolarHBondContact O-CD 3.37Å
67	S	27.1	Very low	35.4	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-60.9	120.5	157.1	50.8	0	0	0	0	110.9
68	P	31.1	Very low	38.1	Very low	118 Å²	118	132.3 Å²	132.3	77%	0.766	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-71	143.6	165.2	30.8	-32.4	0	0	0	109.5	S66 N70	S66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-N70 PolarHBondContact O-N 3.24Å
69	I	31.5	Very low	41.1	Very low	162 Å²	162	126.6 Å²	126.6	83%	0.831	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.5	120.8	171.6	-65.9	164.5	0	0	0	107.5	C71	I69-C71 VanDerWaalsContact C-N 3.31Å; I69-C71 PolarHBondContact O-N 3.06Å
70	N	25.8	Very low	44.1	Very low	142 Å²	142	119 Å²	119	76%	0.759	67%	0.669	S	S	*	*			trans	-72.9	90.1	174.9	-166.8	39.1	0	0	0	108.3	P68 E72	P68-N70 PolarHBondContact O-N 3.24Å; N70-E72 PolarHBondContact O-N 2.91Å
71	C	29.1	Very low	47.2	Very low	115 Å²	115	112.7 Å²	112.7	78%	0.777	63%	0.631	S	S	*	*			trans	-73.9	99	-180	-162.8	0	0	0	0	108.2	I69	I69-C71 VanDerWaalsContact C-N 3.31Å; I69-C71 PolarHBondContact O-N 3.06Å
72	E	32.1	Very low	50.4	Low	165 Å²	165	106.2 Å²	106.2	77%	0.771	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.8	139.6	178.5	-64	-177.9	149.1	0	0	109.8	N70 R74	N70-E72 PolarHBondContact O-N 2.91Å; E72-R74 PolarHBondContact O-N 3.39Å
73	K	33.5	Very low	53.3	Low	198 Å²	198	100.7 Å²	100.7	86%	0.861	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-66	123.7	-175.4	-67	177	179.6	176.1	0	108.8	E75	K73-E75 PolarHBondContact O-N 3.27Å
74	R	41.2	Very low	56.6	Low	176 Å²	176	96.8 Å²	96.8	66%	0.664	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-50.6	122.9	158.6	-79.4	178.8	167.2	-178.5	-8.2	107.9	E72 N76 E168	E72-R74 PolarHBondContact O-N 3.39Å; R74-N76 PolarHBondContact O-N 3.26Å; R74-E168 IonicContact NH1-OE2 3.02Å; R74-E168 PolarHBondContact NH1-OE2 3.31Å
75	E	52.1	Low	59.7	Low	189 Å²	189	95.3 Å²	95.3	88%	0.883	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-71.5	116.8	161	-63	-165.1	163	0	0	106.6	K73 L77	K73-E75 PolarHBondContact O-N 3.27Å; E75-L77 PolarHBondContact O-N 3.03Å
76	N	68.4	Low	62.8	Low	141 Å²	141	88.3 Å²	88.3	75%	0.754	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-71.9	117.8	-175.6	-70.6	-26.4	0	0	0	109.2	R74 L78	R74-N76 PolarHBondContact O-N 3.26Å; N76-L78 PolarHBondContact O-N 3.33Å
77	L	81.9	Confident	65.7	Low	53 Å²	53	84.8 Å²	84.8	28%	0.277	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-50.4	137.7	172.2	-72.4	172	0	0	0	110.7	E75 F163	E75-L77 PolarHBondContact O-N 3.03Å; L77-F163 HydrophobicContact CB-CE2 3.77Å; L77-F163 HydrophobicContact CB-CZ 3.81Å; L77-F163 HydrophobicContact CD1-CE2 4.29Å; L77-F163 VanDerWaalsContact O-CZ 3.28Å; L77-F163 WeakPolarHBondContact O-CZ 3.32Å
78	L	87	Confident	68.8	Low	35 Å²	35	83.1 Å²	83.1	18%	0.183	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-79.2	151.1	177.9	-66.8	176.6	0	0	0	111	N76 F80 L174 Y743 V755 V757	N76-L78 PolarHBondContact O-N 3.33Å; L78-F80 HydrophobicContact CB-CD2 4.22Å; L78-F80 PolarHBondContact O-N 3.08Å; L78-L174 VanDerWaalsContact O-CD2 3.26Å; L78-L174 WeakPolarHBondContact O-CD2 3.3Å; L78-Y743 HydrophobicContact CD2-CE1 4.02Å; L78-V755 HydrophobicContact CD1-CB 4.39Å; L78-V755 HydrophobicContact CD1-CG1 4.24Å; L78-V755 WeakPolarHBondContact CD1-O 3.29Å; L78-V757 HydrophobicContact CD1-CG2 3.76Å; L78-V757 HydrophobicContact CD2-CG2 3.81Å; L78-V757 HydrophobicContact CG-CG2 4.47Å
79	P	89.4	Confident	71.8	Confident	7 Å²	7	77.6 Å²	77.6	5%	0.045	39%	0.394	C	S	.	.	S	Bend	trans	-79.3	46.6	176.4	36.1	-37.7	0	0	0	112.2	Q160 F163 L164 L740 Y743	P79-Q160 WeakPolarHBondContact O-CG 3.08Å; P79-Q160 PolarHBondContact O-NE2 2.96Å; P79-F163 HydrophobicContact CB-CD1 4.05Å; P79-F163 HydrophobicContact CB-CE1 4.03Å; P79-L164 HydrophobicContact CB-CD1 4.15Å; P79-L164 HydrophobicContact CB-CD2 3.54Å; P79-L164 HydrophobicContact CB-CG 3.81Å; P79-L164 HydrophobicContact CG-CD2 4.37Å; P79-L740 HydrophobicContact CB-CD2 4.17Å; P79-L740 HydrophobicContact CG-CD2 4.11Å; P79-Y743 WeakPolarHBondContact CD-OH 3.44Å; P79-Y743 HydrophobicContact CG-CD2 4.4Å; P79-Y743 HydrophobicContact CG-CE2 3.66Å
80	F	92.1	Very high	74.9	Confident	5 Å²	5	70 Å²	70	2%	0.022	36%	0.355	C	S	.	.	S	Bend	trans	-140.8	136.8	-179.9	-63	-71	0	0	0	109.5	L78 F101 L740 Y743 L748 F750 V755	L78-F80 HydrophobicContact CB-CD2 4.22Å; L78-F80 PolarHBondContact O-N 3.08Å; F80-F101 HydrophobicContact CD1-CZ 4.2Å; F80-L740 HydrophobicContact CE1-CD2 3.86Å; F80-L740 HydrophobicContact CZ-CD2 3.91Å; F80-Y743 AromaticContact CE2-CD1 3.69Å; F80-Y743 HydrophobicContact CE2-CD1 3.69Å; F80-Y743 AromaticContact CE2-CD2 3.92Å; F80-Y743 HydrophobicContact CE2-CD2 3.92Å; F80-Y743 HydrophobicContact CE2-CE1 4.1Å; F80-Y743 HydrophobicContact CE2-CE2 4.33Å; F80-Y743 AromaticContact CE2-CG 3.59Å; F80-Y743 HydrophobicContact CE2-CG 3.59Å; F80-Y743 HydrophobicContact CZ-CD1 4.35Å; F80-Y743 HydrophobicContact CZ-CD2 4.02Å; F80-Y743 AromaticContact CZ-CG 3.8Å; F80-Y743 HydrophobicContact CZ-CG 3.8Å; F80-L748 HydrophobicContact CB-CD1 4.46Å; F80-L748 HydrophobicContact CD1-CD1 3.69Å; F80-L748 HydrophobicContact CD2-CD1 3.77Å; F80-L748 HydrophobicContact CD2-CD2 3.78Å; F80-L748 HydrophobicContact CD2-CG 4.46Å; F80-L748 HydrophobicContact CE1-CD1 3.79Å; F80-L748 HydrophobicContact CE2-CD1 3.87Å; F80-L748 HydrophobicContact CE2-CD2 3.84Å; F80-L748 HydrophobicContact CE2-CG 4.49Å; F80-L748 HydrophobicContact CG-CD1 3.69Å; F80-L748 HydrophobicContact CG-CD2 4.47Å; F80-L748 HydrophobicContact CZ-CD1 3.89Å; F80-F750 HydrophobicContact CB-CE1 4.42Å; F80-F750 HydrophobicContact CB-CZ 4.49Å; F80-V755 HydrophobicContact CB-CG1 3.98Å
81	V	94.6	Very high	78.3	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.024	32%	0.319	C	S	.	.			trans	-95.9	125	-169.4	178.4	0	0	0	0	110.8	Q97 V156 L159 Q160 L174 T176	V81-Q97 PolarHBondContact O-NE2 3.02Å; V81-V156 HydrophobicContact CB-CG1 4.1Å; V81-V156 HydrophobicContact CG1-CG2 4.17Å; V81-V156 HydrophobicContact CG2-CG1 4.42Å; V81-L159 HydrophobicContact CG1-CD2 3.81Å; V81-L159 HydrophobicContact CG1-CG 4.44Å; V81-L159 HydrophobicContact CG2-CB 4.09Å; V81-L159 HydrophobicContact CG2-CD2 4.3Å; V81-L159 HydrophobicContact CG2-CG 4.04Å; V81-Q160 HydrophobicContact CG2-CB 3.92Å; V81-L174 CarbonylContact C-O 3.54Å; V81-L174 VanDerWaalsContact CA-O 3.31Å; V81-L174 WeakPolarHBondContact CA-O 3.3Å; V81-L174 HydrophobicContact CG2-CD2 4.3Å; V81-L174 HydrophobicContact CG2-CG 4.17Å; V81-T176 HydrophobicContact CG1-CG2 4.01Å
82	G	96.3	Very high	81.5	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	173.7	170.8	0	0	0	0	0	113.3	L174 A175 T176 D752	G82-L174 PolarHBondContact N-O 3.01Å; G82-A175 VanDerWaalsContact O-CA 3.23Å; G82-A175 WeakPolarHBondContact O-CA 3.36Å; G82-A175 WeakPolarHBondContact O-CB 3.42Å; G82-T176 PolarHBondContact O-N 3.31Å; G82-D752 WeakPolarHBondContact CA-O 3.5Å
83	L	97.5	Very high	84.7	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116	174.6	-65.1	177.7	0	0	0	110.1	N93 L96 Q97 L152 T176 D752 S753	L83-N93 HydrophobicContact CB-CB 4.02Å; L83-N93 HydrophobicContact CD1-CB 4.29Å; L83-N93 PolarHBondContact O-ND2 3.18Å; L83-N93 VanDerWaalsContact O-ND2 3.16Å; L83-L96 HydrophobicContact CD1-CB 3.69Å; L83-L96 HydrophobicContact CD1-CD1 4.17Å; L83-Q97 HydrophobicContact CD1-CG 4.21Å; L83-L152 HydrophobicContact CD2-CD1 3.96Å; L83-T176 CarbonylContact C-O 3.54Å; L83-T176 VanDerWaalsContact CA-O 3.31Å; L83-T176 WeakPolarHBondContact CA-O 3.32Å; L83-T176 HydrophobicContact CD2-CG2 3.77Å; L83-D752 PolarHBondContact N-O 3.25Å; L83-D752 CarbonylContact O-C 3.46Å; L83-D752 VanDerWaalsContact O-CA 3.31Å; L83-D752 WeakPolarHBondContact O-CA 3.43Å; L83-D752 WeakPolarHBondContact O-CB 3.13Å; L83-S753 PolarHBondContact O-N 2.99Å
84	N	96.1	Very high	87.7	Confident	22 Å²	22	41 Å²	41	12%	0.118	21%	0.207	C	C	.	.			trans	-61.6	143.8	-179.3	-55	108.9	0	0	0	111.1	L86 N93 E173 T176 Q177 S753	N84-L86 PolarHBondContact O-N 2.64Å; N84-N93 PolarHBondContact O-ND2 3.08Å; N84-N93 VanDerWaalsContact O-ND2 3.12Å; N84-E173 PolarHBondContact ND2-OE1 2.79Å; N84-E173 VanDerWaalsContact ND2-OE1 3.13Å; N84-E173 PolarHBondContact ND2-OE2 3.14Å; N84-T176 PolarHBondContact N-O 2.91Å; N84-Q177 HydrophobicContact CB-CG 4Å; N84-Q177 WeakPolarHBondContact OD1-CG 3.37Å; N84-Q177 PolarHBondContact OD1-NE2 3.41Å; N84-S753 WeakPolarHBondContact ND2-CB 3.19Å
85	N	93.4	Very high	90.5	Very high	62 Å²	62	32.6 Å²	32.6	33%	0.332	18%	0.175	S	C	.	.			trans	-74.7	122.4	175.6	-164.3	-51.5	0	0	0	110.6	G87 N88 T89 D752	N85-G87 VanDerWaalsContact C-N 3.3Å; N85-G87 PolarHBondContact O-N 3.34Å; N85-G87 WeakPolarHBondContact OD1-CA 3.34Å; N85-G87 PolarHBondContact OD1-N 3.38Å; N85-N88 PolarHBondContact OD1-N 2.9Å; N85-T89 PolarHBondContact OD1-N 3.19Å; N85-T89 VanDerWaalsContact OD1-N 3.09Å; N85-D752 HydrophobicContact CB-CB 4.26Å; N85-D752 WeakPolarHBondContact CB-OD2 3.39Å; N85-D752 PolarHBondContact ND2-OD2 2.89Å
86	L	92	Very high	92.7	Very high	37 Å²	37	24 Å²	24	19%	0.194	14%	0.135	C	C	.	.	S	Bend	trans	-95.8	25.4	-178.8	-60.6	176.7	0	0	0	112.7	N84 T89 Q177 P178 R179 L182	N84-L86 PolarHBondContact O-N 2.64Å; L86-T89 HydrophobicContact CB-CG2 3.88Å; L86-T89 PolarHBondContact N-OG1 3.47Å; L86-Q177 HydrophobicContact CD2-CB 4.28Å; L86-P178 HydrophobicContact CD1-CG 4.18Å; L86-R179 HydrophobicContact CD1-CB 4.36Å; L86-R179 HydrophobicContact CD1-CG 3.7Å; L86-R179 HydrophobicContact CD2-CG 4.12Å; L86-L182 HydrophobicContact CB-CD2 3.99Å; L86-L182 HydrophobicContact CD1-CD2 3.9Å
87	G	88	Confident	94	Very high	29 Å²	29	17.6 Å²	17.6	30%	0.299	10%	0.101	S	C	.	.	S	Bend	trans	97.5	92.3	-177.7	0	0	0	0	0	111.8	N85 T89	N85-G87 VanDerWaalsContact C-N 3.3Å; N85-G87 PolarHBondContact O-N 3.34Å; N85-G87 WeakPolarHBondContact OD1-CA 3.34Å; N85-G87 PolarHBondContact OD1-N 3.38Å; G87-T89 PolarHBondContact O-N 3.07Å
88	N	91.3	Very high	94.8	Very high	83 Å²	83	15.1 Å²	15.1	44%	0.444	9%	0.088	S	C	.	.	S	Bend	trans	61.7	20.1	-176.3	-60	-35.6	0	0	0	115	N85 C90 Y91 Y195 Q197	N85-N88 PolarHBondContact OD1-N 2.9Å; N88-C90 VanDerWaalsContact C-N 3.33Å; N88-C90 PolarHBondContact O-N 3.2Å; N88-Y91 WeakPolarHBondContact O-CD1 3.42Å; N88-Y91 WeakPolarHBondContact O-CE1 3.39Å; N88-Y195 PolarHBondContact ND2-O 2.96Å; N88-Q197 HydrophobicContact CB-CB 4.32Å
89	T	95.6	Very high	95.3	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.012	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	11.8	-173.5	67	0	0	0	0	115.2	N85 L86 G87 Y91 L92 N93 L182	N85-T89 PolarHBondContact OD1-N 3.19Å; N85-T89 VanDerWaalsContact OD1-N 3.09Å; L86-T89 HydrophobicContact CB-CG2 3.88Å; L86-T89 PolarHBondContact N-OG1 3.47Å; G87-T89 PolarHBondContact O-N 3.07Å; T89-Y91 PolarHBondContact O-N 3.35Å; T89-L92 WeakPolarHBondContact O-CA 3.39Å; T89-L92 WeakPolarHBondContact O-CB 3.4Å; T89-L92 PolarHBondContact O-N 3.3Å; T89-N93 PolarHBondContact O-N 3.11Å; T89-N93 PolarHBondContact OG1-ND2 3.32Å; T89-L182 HydrophobicContact CG2-CD1 4.48Å; T89-L182 HydrophobicContact CG2-CD2 3.92Å
90	C	95.9	Very high	95.5	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.02	8%	0.081	C	C	.	.	H	α-helix	trans	-57.8	-32.2	179.7	55.3	0	0	0	0	113.1	N88 L92 N93 S94 Q197 H593 D752	N88-C90 VanDerWaalsContact C-N 3.33Å; N88-C90 PolarHBondContact O-N 3.2Å; C90-L92 PolarHBondContact O-N 2.95Å; C90-N93 PolarHBondContact O-N 2.98Å; C90-S94 WeakPolarHBondContact O-CB 3.12Å; C90-S94 PolarHBondContact O-N 3.16Å; C90-S94 PolarHBondContact O-OG 3.18Å; C90-Q197 PolarHBondContact SG-NE2 3.48Å; C90-H593 VanDerWaalsContact CB-CE1 3.41Å; C90-H593 WeakPolarHBondContact CB-CE1 3.41Å; C90-H593 VanDerWaalsContact CB-ND1 3.32Å; C90-H593 WeakPolarHBondContact CB-ND1 3.35Å; C90-H593 PolarHBondContact SG-ND1 2.99Å; C90-D752 WeakPolarHBondContact CA-OD1 3.29Å
91	Y	96.4	Very high	95.6	Very high	3 Å²	3	15.4 Å²	15.4	1%	0.012	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-35.3	172.5	69.2	-99.1	0	0	0	112.8	N88 T89 S94 I95 Q197 H198 V203	N88-Y91 WeakPolarHBondContact O-CD1 3.42Å; N88-Y91 WeakPolarHBondContact O-CE1 3.39Å; T89-Y91 PolarHBondContact O-N 3.35Å; Y91-S94 PolarHBondContact O-OG 2.96Å; Y91-I95 VanDerWaalsContact O-CG1 3.31Å; Y91-I95 WeakPolarHBondContact O-CG1 3.44Å; Y91-Q197 HydrophobicContact CD1-CG 4.35Å; Y91-H198 WeakPolarHBondContact CB-O 3.45Å; Y91-H198 HydrophobicContact CD1-CB 4.15Å; Y91-H198 HydrophobicContact CD2-CB 4.05Å; Y91-H198 HydrophobicContact CE1-CB 4.03Å; Y91-H198 AromaticContact CE1-CD2 3.66Å; Y91-H198 HydrophobicContact CE2-CB 3.93Å; Y91-H198 HydrophobicContact CG-CB 4.17Å; Y91-H198 AromaticContact CZ-CD2 3.57Å; Y91-H198 PolarHBondContact OH-CD2 2.8Å; Y91-V203 HydrophobicContact CD2-CB 4.21Å; Y91-V203 HydrophobicContact CD2-CG1 4.19Å; Y91-V203 HydrophobicContact CD2-CG2 3.58Å; Y91-V203 HydrophobicContact CE2-CB 4.48Å; Y91-V203 HydrophobicContact CE2-CG1 4.29Å; Y91-V203 HydrophobicContact CE2-CG2 3.59Å
92	L	97.4	Very high	95.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-82.8	-47.9	178.6	176.6	62.4	0	0	0	109.3	T89 C90 S94 I95 L96 L182 L185 V203 I207	T89-L92 WeakPolarHBondContact O-CA 3.39Å; T89-L92 WeakPolarHBondContact O-CB 3.4Å; T89-L92 PolarHBondContact O-N 3.3Å; C90-L92 PolarHBondContact O-N 2.95Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 3.49Å; L92-I95 PolarHBondContact O-N 2.98Å; L92-I95 VanDerWaalsContact O-N 3.07Å; L92-L96 HydrophobicContact CD1-CD1 3.88Å; L92-L96 HydrophobicContact CD1-CD2 4.21Å; L92-L96 HydrophobicContact CD1-CG 3.86Å; L92-L96 HydrophobicContact CD2-CD1 4.27Å; L92-L96 HydrophobicContact CG-CD1 3.68Å; L92-L96 HydrophobicContact CG-CG 4.09Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.24Å; L92-L96 PolarHBondContact O-N 3.37Å; L92-L182 HydrophobicContact CD2-CB 4.16Å; L92-L182 HydrophobicContact CD2-CD1 3.82Å; L92-L185 HydrophobicContact CD1-CD2 4.06Å; L92-L185 HydrophobicContact CD2-CD2 4.46Å; L92-V203 HydrophobicContact CD1-CG1 3.78Å; L92-I207 HydrophobicContact CD1-CD1 3.93Å
93	N	97.8	Very high	95.1	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-57.9	-42.2	-178.9	-69.5	-12.3	0	0	0	111.9	L83 N84 T89 C90 I95 L96 Q97 P178 D752	L83-N93 HydrophobicContact CB-CB 4.02Å; L83-N93 HydrophobicContact CD1-CB 4.29Å; L83-N93 PolarHBondContact O-ND2 3.18Å; L83-N93 VanDerWaalsContact O-ND2 3.16Å; N84-N93 PolarHBondContact O-ND2 3.08Å; N84-N93 VanDerWaalsContact O-ND2 3.12Å; T89-N93 PolarHBondContact O-N 3.11Å; T89-N93 PolarHBondContact OG1-ND2 3.32Å; C90-N93 PolarHBondContact O-N 2.98Å; N93-I95 PolarHBondContact O-N 3.15Å; N93-L96 PolarHBondContact O-N 3.14Å; N93-Q97 WeakPolarHBondContact O-CG 3.41Å; N93-Q97 PolarHBondContact O-N 3.39Å; N93-P178 WeakPolarHBondContact OD1-CG 3.14Å; N93-D752 WeakPolarHBondContact CB-OD1 3.17Å; N93-D752 PolarHBondContact ND2-OD1 3.33Å
94	S	98.1	Very high	94.7	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-41.5	175	60.3	0	0	0	0	112.8	C90 Y91 L92 V98 Y594	C90-S94 WeakPolarHBondContact O-CB 3.12Å; C90-S94 PolarHBondContact O-N 3.16Å; C90-S94 PolarHBondContact O-OG 3.18Å; Y91-S94 PolarHBondContact O-OG 2.96Å; L92-S94 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 3.49Å; S94-V98 WeakPolarHBondContact O-CG2 3.21Å; S94-V98 PolarHBondContact O-N 3.43Å; S94-Y594 WeakPolarHBondContact OG-CB 3.42Å
95	I	98.5	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-42.8	177.1	-69.6	-59.9	0	0	0	111.2	Y91 L92 N93 Q97 V98 L99 A200 L204 I207 V582 L779 F781	Y91-I95 VanDerWaalsContact O-CG1 3.31Å; Y91-I95 WeakPolarHBondContact O-CG1 3.44Å; L92-I95 PolarHBondContact O-N 2.98Å; L92-I95 VanDerWaalsContact O-N 3.07Å; N93-I95 PolarHBondContact O-N 3.15Å; I95-Q97 PolarHBondContact O-N 3.47Å; I95-V98 PolarHBondContact O-N 3.27Å; I95-L99 HydrophobicContact CG2-CD1 3.81Å; I95-L99 HydrophobicContact CG2-CG 4.28Å; I95-L99 WeakPolarHBondContact O-CB 3.34Å; I95-L99 WeakPolarHBondContact O-CG 3.2Å; I95-L99 PolarHBondContact O-N 2.7Å; I95-A200 HydrophobicContact CD1-CB 4.17Å; I95-A200 WeakPolarHBondContact CD1-O 3.03Å; I95-A200 HydrophobicContact CG1-CB 4.01Å; I95-A200 WeakPolarHBondContact CG1-O 3.48Å; I95-L204 HydrophobicContact CD1-CB 3.97Å; I95-L204 HydrophobicContact CG1-CB 4.46Å; I95-L204 HydrophobicContact CG2-CB 4.24Å; I95-L204 HydrophobicContact CG2-CD1 4Å; I95-I207 HydrophobicContact CG2-CD1 4.22Å; I95-V582 HydrophobicContact CD1-CG2 4.34Å; I95-L779 HydrophobicContact CD1-CD1 3.6Å; I95-F781 HydrophobicContact CD1-CZ 4.47Å
96	L	98.3	Very high	94.5	Very high	9 Å²	9	16.2 Å²	16.2	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-38.1	179.8	-67.1	177.4	0	0	0	112.2	L83 L92 N93 L99 Y100 L149 L152 P178 L181 I207	L83-L96 HydrophobicContact CD1-CB 3.69Å; L83-L96 HydrophobicContact CD1-CD1 4.17Å; L92-L96 HydrophobicContact CD1-CD1 3.88Å; L92-L96 HydrophobicContact CD1-CD2 4.21Å; L92-L96 HydrophobicContact CD1-CG 3.86Å; L92-L96 HydrophobicContact CD2-CD1 4.27Å; L92-L96 HydrophobicContact CG-CD1 3.68Å; L92-L96 HydrophobicContact CG-CG 4.09Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.24Å; L92-L96 PolarHBondContact O-N 3.37Å; N93-L96 PolarHBondContact O-N 3.14Å; L96-L99 PolarHBondContact O-N 3.08Å; L96-Y100 WeakPolarHBondContact O-CB 3.34Å; L96-Y100 PolarHBondContact O-N 3.01Å; L96-L149 HydrophobicContact CD2-CD2 4.15Å; L96-L152 HydrophobicContact CD1-CD2 3.87Å; L96-P178 HydrophobicContact CD1-CB 3.88Å; L96-P178 HydrophobicContact CD1-CG 4.28Å; L96-L181 HydrophobicContact CD1-CD2 3.74Å; L96-L181 HydrophobicContact CD2-CD2 3.57Å; L96-L181 HydrophobicContact CG-CD2 4.32Å; L96-I207 HydrophobicContact CD2-CD1 4.29Å
97	Q	97.1	Very high	94.4	Very high	5 Å²	5	18 Å²	18	2%	0.023	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-47	172.9	-70.3	-70.6	11.1	0	0	111.4	V81 L83 N93 I95 L99 Y100 F101 A596 F750	V81-Q97 PolarHBondContact O-NE2 3.02Å; L83-Q97 HydrophobicContact CD1-CG 4.21Å; N93-Q97 WeakPolarHBondContact O-CG 3.41Å; N93-Q97 PolarHBondContact O-N 3.39Å; I95-Q97 PolarHBondContact O-N 3.47Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 2.87Å; Q97-Y100 PolarHBondContact O-N 3.45Å; Q97-F101 WeakPolarHBondContact O-CD2 3.49Å; Q97-F101 PolarHBondContact O-N 3.08Å; Q97-F101 VanDerWaalsContact O-N 3.16Å; Q97-A596 HydrophobicContact CB-CB 4.26Å; Q97-F750 HydrophobicContact CB-CB 4.37Å; Q97-F750 HydrophobicContact CB-CD2 4.32Å; Q97-F750 HydrophobicContact CB-CG 4.2Å; Q97-F750 VanDerWaalsContact CD-CD1 3.4Å; Q97-F750 HydrophobicContact CG-CB 3.95Å; Q97-F750 HydrophobicContact CG-CD1 3.97Å; Q97-F750 HydrophobicContact CG-CD2 4.48Å; Q97-F750 HydrophobicContact CG-CG 3.87Å; Q97-F750 VanDerWaalsContact NE2-CD1 3.26Å
98	V	97.6	Very high	94.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-41.9	176.1	173.8	0	0	0	0	112	S94 I95 C102 A580 V582 A596 V598 F781	S94-V98 WeakPolarHBondContact O-CG2 3.21Å; S94-V98 PolarHBondContact O-N 3.43Å; I95-V98 PolarHBondContact O-N 3.27Å; V98-C102 WeakPolarHBondContact O-CB 3.28Å; V98-C102 PolarHBondContact O-N 3.01Å; V98-A580 HydrophobicContact CB-CB 4.45Å; V98-A580 HydrophobicContact CG1-CB 3.87Å; V98-A580 HydrophobicContact CG2-CB 3.91Å; V98-V582 HydrophobicContact CG2-CG2 3.91Å; V98-A596 HydrophobicContact CG2-CB 3.96Å; V98-V598 HydrophobicContact CG2-CG2 4.38Å; V98-F781 HydrophobicContact CB-CE2 4.47Å; V98-F781 HydrophobicContact CG1-CB 4.42Å; V98-F781 HydrophobicContact CG1-CD1 3.85Å; V98-F781 HydrophobicContact CG1-CD2 3.69Å; V98-F781 HydrophobicContact CG1-CE1 3.92Å; V98-F781 HydrophobicContact CG1-CE2 3.78Å; V98-F781 HydrophobicContact CG1-CG 3.72Å; V98-F781 HydrophobicContact CG1-CZ 3.88Å; V98-F781 HydrophobicContact CG2-CD2 4.48Å; V98-F781 HydrophobicContact CG2-CE2 4.31Å
99	L	97.1	Very high	94.8	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-67.8	-37.8	177	-71.4	176	0	0	0	112.5	I95 L96 Q97 F101 C102 F105 L204 I207 L208 F430	I95-L99 HydrophobicContact CG2-CD1 3.81Å; I95-L99 HydrophobicContact CG2-CG 4.28Å; I95-L99 WeakPolarHBondContact O-CB 3.34Å; I95-L99 WeakPolarHBondContact O-CG 3.2Å; I95-L99 PolarHBondContact O-N 2.7Å; L96-L99 PolarHBondContact O-N 3.08Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 2.87Å; L99-F101 VanDerWaalsContact C-N 3.33Å; L99-F101 PolarHBondContact O-N 3.13Å; L99-C102 VanDerWaalsContact O-CB 3.31Å; L99-C102 WeakPolarHBondContact O-CB 3.41Å; L99-C102 PolarHBondContact O-N 3.3Å; L99-C102 VanDerWaalsContact O-N 3.16Å; L99-F105 HydrophobicContact CB-CD1 4.05Å; L99-F105 HydrophobicContact CB-CE1 3.81Å; L99-F105 HydrophobicContact CB-CZ 4.15Å; L99-F105 HydrophobicContact CD1-CZ 4.15Å; L99-F105 HydrophobicContact CD2-CD2 4.26Å; L99-F105 HydrophobicContact CD2-CE2 4.04Å; L99-F105 HydrophobicContact CD2-CZ 4.23Å; L99-F105 HydrophobicContact CG-CZ 4.42Å; L99-F105 WeakPolarHBondContact O-CD1 3.39Å; L99-L204 HydrophobicContact CD1-CD1 4.27Å; L99-L204 HydrophobicContact CD2-CD1 4.07Å; L99-L204 HydrophobicContact CG-CD1 4.36Å; L99-I207 HydrophobicContact CD1-CG2 4.08Å; L99-L208 HydrophobicContact CD2-CD2 4.46Å; L99-F430 HydrophobicContact CD2-CZ 3.84Å
100	Y	95.3	Very high	94.7	Very high	18 Å²	18	15.6 Å²	15.6	7%	0.071	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-40.2	176.6	177	-89.2	0	0	0	112.3	L96 Q97 K106 I153 V156 E157	L96-Y100 WeakPolarHBondContact O-CB 3.34Å; L96-Y100 PolarHBondContact O-N 3.01Å; Q97-Y100 PolarHBondContact O-N 3.45Å; Y100-K106 HydrophobicContact CD2-CD 3.57Å; Y100-K106 HydrophobicContact CD2-CG 4.47Å; Y100-K106 HydrophobicContact CE1-CD 4.44Å; Y100-K106 HydrophobicContact CE2-CD 3.42Å; Y100-K106 VanDerWaalsContact CE2-CD 3.42Å; Y100-K106 HydrophobicContact CG-CD 4.12Å; Y100-K106 VanDerWaalsContact CZ-NZ 3.32Å; Y100-K106 VanDerWaalsContact O-CD 3.3Å; Y100-K106 WeakPolarHBondContact O-CD 3.41Å; Y100-K106 WeakPolarHBondContact O-CG 3.23Å; Y100-K106 PolarHBondContact OH-NZ 3.36Å; Y100-I153 HydrophobicContact CD2-CG1 4.25Å; Y100-I153 HydrophobicContact CE2-CG2 4.38Å; Y100-V156 HydrophobicContact CD2-CB 4.49Å; Y100-V156 HydrophobicContact CD2-CG1 4.06Å; Y100-V156 HydrophobicContact CE1-CG1 4.07Å; Y100-V156 HydrophobicContact CE2-CB 3.97Å; Y100-V156 HydrophobicContact CE2-CG1 3.4Å; Y100-V156 VanDerWaalsContact CZ-CG1 3.41Å; Y100-E157 HydrophobicContact CE2-CG 4.41Å; Y100-E157 WeakPolarHBondContact OH-CG 3.42Å
101	F	93.5	Very high	94.5	Very high	32 Å²	32	17.5 Å²	17.5	14%	0.14	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.9	175.9	-71.2	-79.8	0	0	0	114.2	F80 Q97 L99 P103 V598 L748 F750	F80-F101 HydrophobicContact CD1-CZ 4.2Å; Q97-F101 WeakPolarHBondContact O-CD2 3.49Å; Q97-F101 PolarHBondContact O-N 3.08Å; Q97-F101 VanDerWaalsContact O-N 3.16Å; L99-F101 VanDerWaalsContact C-N 3.33Å; L99-F101 PolarHBondContact O-N 3.13Å; F101-P103 WeakPolarHBondContact O-CD 3.22Å; F101-V598 HydrophobicContact CB-CG1 3.52Å; F101-V598 HydrophobicContact CD1-CG1 4.38Å; F101-V598 HydrophobicContact CD2-CG1 4.07Å; F101-V598 HydrophobicContact CD2-CG2 4.45Å; F101-V598 HydrophobicContact CG-CG1 3.75Å; F101-L748 HydrophobicContact CZ-CD1 4.28Å; F101-F750 HydrophobicContact CD2-CE2 4.18Å; F101-F750 HydrophobicContact CD2-CZ 4.28Å; F101-F750 HydrophobicContact CE2-CE1 4.18Å; F101-F750 AromaticContact CE2-CE2 3.62Å; F101-F750 HydrophobicContact CE2-CE2 3.62Å; F101-F750 AromaticContact CE2-CZ 3.3Å; F101-F750 HydrophobicContact CE2-CZ 3.3Å; F101-F750 HydrophobicContact CZ-CE2 4.29Å; F101-F750 AromaticContact CZ-CZ 3.72Å; F101-F750 HydrophobicContact CZ-CZ 3.72Å
102	C	93.6	Very high	94.3	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.027	10%	0.103	C	C	.	.	S	Bend	trans	-69.3	119.5	177.9	-174.1	0	0	0	0	110.6	V98 L99 G104 F105 F579	V98-C102 WeakPolarHBondContact O-CB 3.28Å; V98-C102 PolarHBondContact O-N 3.01Å; L99-C102 VanDerWaalsContact O-CB 3.31Å; L99-C102 WeakPolarHBondContact O-CB 3.41Å; L99-C102 PolarHBondContact O-N 3.3Å; L99-C102 VanDerWaalsContact O-N 3.16Å; C102-G104 PolarHBondContact O-N 2.98Å; C102-F105 HydrophobicContact CB-CB 3.87Å; C102-F105 VanDerWaalsContact O-CB 3.3Å; C102-F105 WeakPolarHBondContact O-CB 3.36Å; C102-F105 PolarHBondContact O-N 2.97Å; C102-F579 HydrophobicContact CB-CE2 4.45Å; C102-F579 HydrophobicContact CB-CZ 4.36Å
103	P	86.6	Confident	94.1	Very high	24 Å²	24	19.4 Å²	19.4	16%	0.156	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	129	-174.7	-28.6	37.8	0	0	0	113	F101 F105 K783	F101-P103 WeakPolarHBondContact O-CD 3.22Å; P103-F105 PolarHBondContact O-N 3.41Å; P103-K783 HydrophobicContact CG-CD 3.92Å; P103-K783 HydrophobicContact CG-CG 4.23Å
104	G	88.4	Confident	93.9	Very high	44 Å²	44	22.9 Å²	22.9	45%	0.454	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-17	-177.3	0	0	0	0	0	115.6	C102 K106 S107 G108	C102-G104 PolarHBondContact O-N 2.98Å; G104-K106 PolarHBondContact O-N 3.12Å; G104-S107 PolarHBondContact O-N 2.97Å; G104-G108 PolarHBondContact O-N 3Å
105	F	93.4	Very high	93.5	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.013	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-50.4	-176.6	-176.9	-99.2	0	0	0	112.2	L99 C102 P103 S107 G108 V109 I211 L429 F430	L99-F105 HydrophobicContact CB-CD1 4.05Å; L99-F105 HydrophobicContact CB-CE1 3.81Å; L99-F105 HydrophobicContact CB-CZ 4.15Å; L99-F105 HydrophobicContact CD1-CZ 4.15Å; L99-F105 HydrophobicContact CD2-CD2 4.26Å; L99-F105 HydrophobicContact CD2-CE2 4.04Å; L99-F105 HydrophobicContact CD2-CZ 4.23Å; L99-F105 HydrophobicContact CG-CZ 4.42Å; L99-F105 WeakPolarHBondContact O-CD1 3.39Å; C102-F105 HydrophobicContact CB-CB 3.87Å; C102-F105 VanDerWaalsContact O-CB 3.3Å; C102-F105 WeakPolarHBondContact O-CB 3.36Å; C102-F105 PolarHBondContact O-N 2.97Å; P103-F105 PolarHBondContact O-N 3.41Å; F105-S107 VanDerWaalsContact C-N 3.35Å; F105-S107 PolarHBondContact O-N 3.24Å; F105-G108 PolarHBondContact O-N 3.19Å; F105-V109 HydrophobicContact CD1-CG2 4.07Å; F105-V109 HydrophobicContact CE1-CG2 3.65Å; F105-V109 HydrophobicContact CE2-CG2 4.17Å; F105-V109 HydrophobicContact CG-CG2 4.5Å; F105-V109 HydrophobicContact CZ-CG2 3.71Å; F105-V109 WeakPolarHBondContact O-CG2 3.42Å; F105-V109 PolarHBondContact O-N 3.08Å; F105-I211 HydrophobicContact CE2-CD1 3.94Å; F105-I211 HydrophobicContact CZ-CD1 3.94Å; F105-L429 HydrophobicContact CB-CD1 4.19Å; F105-F430 HydrophobicContact CD2-CE2 4.1Å; F105-F430 HydrophobicContact CD2-CZ 4.42Å; F105-F430 HydrophobicContact CE2-CE2 4.49Å
106	K	91.9	Very high	93.2	Very high	32 Å²	32	23.8 Å²	23.8	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-43.7	179.3	-58.4	-161.3	-64.9	164.1	0	112.9	Y100 G104 V109 K110 I153 E157	Y100-K106 HydrophobicContact CD2-CD 3.57Å; Y100-K106 HydrophobicContact CD2-CG 4.47Å; Y100-K106 HydrophobicContact CE1-CD 4.44Å; Y100-K106 HydrophobicContact CE2-CD 3.42Å; Y100-K106 VanDerWaalsContact CE2-CD 3.42Å; Y100-K106 HydrophobicContact CG-CD 4.12Å; Y100-K106 VanDerWaalsContact CZ-NZ 3.32Å; Y100-K106 VanDerWaalsContact O-CD 3.3Å; Y100-K106 WeakPolarHBondContact O-CD 3.41Å; Y100-K106 WeakPolarHBondContact O-CG 3.23Å; Y100-K106 PolarHBondContact OH-NZ 3.36Å; G104-K106 PolarHBondContact O-N 3.12Å; K106-V109 PolarHBondContact O-N 2.68Å; K106-K110 WeakPolarHBondContact O-CB 3.43Å; K106-K110 PolarHBondContact O-N 3.08Å; K106-I153 HydrophobicContact CB-CD1 4.34Å; K106-I153 HydrophobicContact CD-CG1 4.49Å; K106-I153 HydrophobicContact CD-CG2 4Å; K106-I153 HydrophobicContact CG-CD1 4.21Å; K106-I153 HydrophobicContact CG-CG1 4.48Å; K106-I153 HydrophobicContact CG-CG2 4.49Å; K106-E157 IonicContact NZ-OE1 2.59Å; K106-E157 PolarHBondContact NZ-OE1 3.16Å
107	S	90.6	Very high	92.8	Very high	74 Å²	74	25.1 Å²	25.1	52%	0.517	15%	0.145	S	C	.	.	H	α-helix	trans	-65	-40.5	178	-174.9	0	0	0	0	111.7	G104 F105 K110 H111	G104-S107 PolarHBondContact O-N 2.97Å; F105-S107 VanDerWaalsContact C-N 3.35Å; F105-S107 PolarHBondContact O-N 3.24Å; S107-K110 PolarHBondContact O-N 3.36Å; S107-H111 WeakPolarHBondContact O-CB 3.5Å; S107-H111 PolarHBondContact O-N 3Å
108	G	92.7	Very high	92.4	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-46.8	173.7	0	0	0	0	0	113.9	G104 F105 K110 H111 L112	G104-G108 PolarHBondContact O-N 3Å; F105-G108 PolarHBondContact O-N 3.19Å; G108-K110 VanDerWaalsContact C-N 3.33Å; G108-K110 PolarHBondContact O-N 2.93Å; G108-H111 PolarHBondContact O-N 2.82Å; G108-L112 WeakPolarHBondContact O-CG 3.35Å; G108-L112 PolarHBondContact O-N 3.29Å
109	V	94.7	Very high	91.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-44.2	176.1	172.2	0	0	0	0	110.5	F105 K106 H111 L112 F113 I146 L149 Q150 I153 L425	F105-V109 HydrophobicContact CD1-CG2 4.07Å; F105-V109 HydrophobicContact CE1-CG2 3.65Å; F105-V109 HydrophobicContact CE2-CG2 4.17Å; F105-V109 HydrophobicContact CG-CG2 4.5Å; F105-V109 HydrophobicContact CZ-CG2 3.71Å; F105-V109 WeakPolarHBondContact O-CG2 3.42Å; F105-V109 PolarHBondContact O-N 3.08Å; K106-V109 PolarHBondContact O-N 2.68Å; V109-H111 PolarHBondContact O-N 3.43Å; V109-L112 PolarHBondContact O-N 3.18Å; V109-F113 WeakPolarHBondContact O-CB 3.46Å; V109-F113 PolarHBondContact O-N 3Å; V109-I146 HydrophobicContact CG1-CG2 4.4Å; V109-L149 HydrophobicContact CG1-CB 3.92Å; V109-Q150 HydrophobicContact CG1-CB 4.06Å; V109-I153 HydrophobicContact CB-CD1 4.15Å; V109-I153 HydrophobicContact CG1-CD1 3.97Å; V109-L425 HydrophobicContact CG2-CD2 4.12Å
110	K	92.9	Very high	91.1	Very high	61 Å²	61	39.5 Å²	39.5	27%	0.265	20%	0.203	S	C	.	.	H	α-helix	trans	-60.2	-42.1	174.4	-174.2	-175.3	-178.3	-175.5	0	112.4	K106 S107 G108 F113 N114 Q150 D609	K106-K110 WeakPolarHBondContact O-CB 3.43Å; K106-K110 PolarHBondContact O-N 3.08Å; S107-K110 PolarHBondContact O-N 3.36Å; G108-K110 VanDerWaalsContact C-N 3.33Å; G108-K110 PolarHBondContact O-N 2.93Å; K110-F113 PolarHBondContact O-N 3Å; K110-N114 WeakPolarHBondContact O-CB 3.23Å; K110-N114 PolarHBondContact O-N 2.77Å; K110-N114 PolarHBondContact O-ND2 3.39Å; K110-N114 PolarHBondContact O-OD1 3.41Å; K110-Q150 VanDerWaalsContact CA-OE1 3.25Å; K110-D609 VanDerWaalsContact CE-OD2 3.31Å; K110-D609 WeakPolarHBondContact CE-OD2 3.44Å; K110-D609 IonicContact NZ-OD2 3.83Å; K110-D609 PolarHBondContact NZ-OD2 3.17Å
111	H	91.9	Very high	90.5	Very high	43 Å²	43	43 Å²	43	20%	0.199	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-43	177	-167.9	-75.3	0	0	0	112.1	S107 G108 V109 N114 I115	S107-H111 WeakPolarHBondContact O-CB 3.5Å; S107-H111 PolarHBondContact O-N 3Å; G108-H111 PolarHBondContact O-N 2.82Å; V109-H111 PolarHBondContact O-N 3.43Å; H111-N114 PolarHBondContact O-N 3.45Å; H111-I115 WeakPolarHBondContact ND1-CD1 3.17Å; H111-I115 WeakPolarHBondContact O-CG1 3.3Å; H111-I115 PolarHBondContact O-N 2.86Å
112	L	92.8	Very high	89.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-43.9	173.5	-73.7	169.7	0	0	0	111.6	G108 V109 N114 I115 I116 I146 I211 L218 G422 L425	G108-L112 WeakPolarHBondContact O-CG 3.35Å; G108-L112 PolarHBondContact O-N 3.29Å; V109-L112 PolarHBondContact O-N 3.18Å; L112-N114 VanDerWaalsContact C-N 3.32Å; L112-N114 PolarHBondContact O-N 3Å; L112-I115 PolarHBondContact O-N 3.48Å; L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 2.65Å; L112-I146 HydrophobicContact CB-CG2 3.79Å; L112-I146 HydrophobicContact CD1-CD1 4.19Å; L112-I211 HydrophobicContact CD1-CG2 3.99Å; L112-L218 HydrophobicContact CD2-CD1 3.98Å; L112-G422 WeakPolarHBondContact CD2-O 3.47Å; L112-L425 HydrophobicContact CD1-CB 4.3Å; L112-L425 HydrophobicContact CD1-CD2 3.71Å
113	F	93.9	Very high	88.9	Confident	43 Å²	43	47.6 Å²	47.6	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-41.2	173.9	177	-100.4	0	0	0	112.3	V109 K110 I116 S117 I146 C147 Q150	V109-F113 WeakPolarHBondContact O-CB 3.46Å; V109-F113 PolarHBondContact O-N 3Å; K110-F113 PolarHBondContact O-N 3Å; F113-I116 PolarHBondContact O-N 2.94Å; F113-S117 VanDerWaalsContact O-CB 3.27Å; F113-S117 WeakPolarHBondContact O-CB 3.2Å; F113-S117 PolarHBondContact O-N 2.79Å; F113-S117 PolarHBondContact O-OG 2.9Å; F113-I146 HydrophobicContact CB-CG2 4.13Å; F113-C147 HydrophobicContact CD2-CB 4.34Å; F113-C147 HydrophobicContact CE2-CB 4.24Å; F113-Q150 HydrophobicContact CB-CB 4.04Å; F113-Q150 HydrophobicContact CB-CG 3.96Å; F113-Q150 HydrophobicContact CD1-CG 3.87Å; F113-Q150 HydrophobicContact CD2-CB 4.04Å; F113-Q150 HydrophobicContact CD2-CG 4.16Å; F113-Q150 HydrophobicContact CE1-CG 4.41Å; F113-Q150 HydrophobicContact CG-CB 3.97Å; F113-Q150 HydrophobicContact CG-CG 3.71Å
114	N	92	Very high	88.1	Confident	76 Å²	76	51.4 Å²	51.4	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-32.9	176.3	-71.1	-13.6	0	0	0	113	K110 H111 L112 R118	K110-N114 WeakPolarHBondContact O-CB 3.23Å; K110-N114 PolarHBondContact O-N 2.77Å; K110-N114 PolarHBondContact O-ND2 3.39Å; K110-N114 PolarHBondContact O-OD1 3.41Å; H111-N114 PolarHBondContact O-N 3.45Å; L112-N114 VanDerWaalsContact C-N 3.32Å; L112-N114 PolarHBondContact O-N 3Å; N114-R118 WeakPolarHBondContact O-CG 3.37Å; N114-R118 PolarHBondContact O-N 2.93Å; N114-R118 PolarHBondContact O-NE 3.19Å
115	I	90.8	Very high	87	Confident	18 Å²	18	54.7 Å²	54.7	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-67.7	-51.2	171.2	-65.3	159.7	0	0	0	110.1	H111 L112 S117 R118 K119 L218 F423	H111-I115 WeakPolarHBondContact ND1-CD1 3.17Å; H111-I115 WeakPolarHBondContact O-CG1 3.3Å; H111-I115 PolarHBondContact O-N 2.86Å; L112-I115 PolarHBondContact O-N 3.48Å; I115-S117 VanDerWaalsContact C-N 3.3Å; I115-S117 PolarHBondContact O-N 2.77Å; I115-R118 PolarHBondContact O-N 2.94Å; I115-K119 PolarHBondContact O-N 2.87Å; I115-L218 HydrophobicContact CG2-CD1 4.14Å; I115-L218 HydrophobicContact CG2-CD2 4.07Å; I115-F423 HydrophobicContact CD1-CD1 4.21Å; I115-F423 HydrophobicContact CD1-CD2 4.43Å; I115-F423 HydrophobicContact CD1-CE1 3.79Å; I115-F423 HydrophobicContact CD1-CE2 4.02Å; I115-F423 HydrophobicContact CD1-CZ 3.69Å; I115-F423 HydrophobicContact CG1-CZ 4.39Å; I115-F423 HydrophobicContact CG2-CE1 4.35Å
116	I	91.1	Very high	85.4	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-41.3	-179	-70.1	165.4	0	0	0	110.9	L112 F113 K119 K120 Y143 I146 T214 L218	L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 2.65Å; F113-I116 PolarHBondContact O-N 2.94Å; I116-K119 PolarHBondContact O-N 2.88Å; I116-K120 WeakPolarHBondContact O-CB 3.26Å; I116-K120 PolarHBondContact O-N 3.3Å; I116-Y143 HydrophobicContact CD1-CD1 3.93Å; I116-Y143 HydrophobicContact CD1-CG 4.15Å; I116-Y143 HydrophobicContact CG1-CD1 4.08Å; I116-Y143 HydrophobicContact CG1-CE1 4.47Å; I116-Y143 HydrophobicContact CG1-CG 4.19Å; I116-Y143 HydrophobicContact CG2-CD2 4.21Å; I116-Y143 HydrophobicContact CG2-CG 4.12Å; I116-I146 HydrophobicContact CD1-CB 3.7Å; I116-I146 HydrophobicContact CD1-CG1 3.8Å; I116-I146 HydrophobicContact CD1-CG2 3.88Å; I116-T214 HydrophobicContact CD1-CG2 4.05Å; I116-L218 HydrophobicContact CD1-CD1 4.43Å; I116-L218 HydrophobicContact CG1-CD1 4.04Å; I116-L218 HydrophobicContact CG1-CD2 4.43Å
117	S	90.7	Very high	83.8	Confident	37 Å²	37	63 Å²	63	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-49.2	178.4	-59.3	0	0	0	0	111.7	F113 I115 K119 K120 E121	F113-S117 VanDerWaalsContact O-CB 3.27Å; F113-S117 WeakPolarHBondContact O-CB 3.2Å; F113-S117 PolarHBondContact O-N 2.79Å; F113-S117 PolarHBondContact O-OG 2.9Å; I115-S117 VanDerWaalsContact C-N 3.3Å; I115-S117 PolarHBondContact O-N 2.77Å; S117-K119 VanDerWaalsContact C-N 3.25Å; S117-K119 PolarHBondContact O-N 3.47Å; S117-K120 PolarHBondContact O-N 3.31Å; S117-K120 VanDerWaalsContact O-N 3.09Å; S117-E121 PolarHBondContact O-N 3.36Å; S117-E121 VanDerWaalsContact O-N 3.11Å
118	R	88.1	Confident	82.1	Confident	144 Å²	144	66 Å²	66	54%	0.543	34%	0.335	S	S	.	.	H	α-helix	trans	-53.5	-43.4	173.4	-77.1	-174.4	-71.4	170.9	-3.4	111.6	N114 I115 A122 E419	N114-R118 WeakPolarHBondContact O-CG 3.37Å; N114-R118 PolarHBondContact O-N 2.93Å; N114-R118 PolarHBondContact O-NE 3.19Å; I115-R118 PolarHBondContact O-N 2.94Å; R118-A122 PolarHBondContact O-N 2.96Å; R118-E419 IonicContact NH1-OE1 3.15Å; R118-E419 IonicContact NH2-OE1 2.66Å
119	K	83.9	Confident	80.4	Confident	51 Å²	51	73.8 Å²	73.8	22%	0.222	37%	0.371	C	S	.	.	H	α-helix	trans	-67.3	-39.9	177.6	-171.6	-174.2	176.6	-170.2	0	112.6	I115 I116 S117 E121 A122 L123 Y143 L218 E221	I115-K119 PolarHBondContact O-N 2.87Å; I116-K119 PolarHBondContact O-N 2.88Å; S117-K119 VanDerWaalsContact C-N 3.25Å; S117-K119 PolarHBondContact O-N 3.47Å; K119-E121 VanDerWaalsContact C-N 3.33Å; K119-E121 PolarHBondContact O-N 2.96Å; K119-A122 PolarHBondContact O-N 3Å; K119-L123 HydrophobicContact CG-CD1 4.19Å; K119-L123 WeakPolarHBondContact O-CG 3.47Å; K119-L123 PolarHBondContact O-N 2.98Å; K119-Y143 HydrophobicContact CD-CE2 4.41Å; K119-Y143 PolarHBondContact NZ-OH 2.75Å; K119-L218 HydrophobicContact CD-CD2 4.37Å; K119-E221 IonicContact NZ-OE1 2.71Å; K119-E221 PolarHBondContact NZ-OE1 2.91Å; K119-E221 IonicContact NZ-OE2 2.71Å; K119-E221 PolarHBondContact NZ-OE2 3.36Å
120	K	84.1	Confident	77.9	Confident	117 Å²	117	82.7 Å²	82.7	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-36.4	-179.3	-168.1	171.3	-174	171.8	0	112	I116 S117 K124	I116-K120 WeakPolarHBondContact O-CB 3.26Å; I116-K120 PolarHBondContact O-N 3.3Å; S117-K120 PolarHBondContact O-N 3.31Å; S117-K120 VanDerWaalsContact O-N 3.09Å; K120-K124 WeakPolarHBondContact O-CG 3.48Å; K120-K124 PolarHBondContact O-N 3.16Å
121	E	82.7	Confident	75.8	Confident	91 Å²	91	86.8 Å²	86.8	43%	0.425	43%	0.434	S	S	.	.	H	α-helix	trans	-71.2	-47	173.7	-57.2	-46.1	116.5	0	0	111.9	S117 K119 L123 K124 D125	S117-E121 PolarHBondContact O-N 3.36Å; S117-E121 VanDerWaalsContact O-N 3.11Å; K119-E121 VanDerWaalsContact C-N 3.33Å; K119-E121 PolarHBondContact O-N 2.96Å; E121-L123 PolarHBondContact O-N 2.9Å; E121-K124 WeakPolarHBondContact O-CA 3.26Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 2.84Å; E121-K124 VanDerWaalsContact OE1-CE 3.31Å; E121-K124 WeakPolarHBondContact OE1-CE 3.35Å; E121-K124 IonicContact OE1-NZ 3.57Å; E121-K124 PolarHBondContact OE1-NZ 3.24Å; E121-K124 WeakPolarHBondContact OE2-CD 3.1Å; E121-K124 WeakPolarHBondContact OE2-CE 3.34Å; E121-K124 IonicContact OE2-NZ 2.9Å; E121-K124 PolarHBondContact OE2-NZ 2.86Å; E121-D125 PolarHBondContact O-N 3.07Å
122	A	79.5	Confident	73.7	Confident	52 Å²	52	94.2 Å²	94.2	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-55.8	-37.4	176.3	0	0	0	0	0	113	R118 K119 K124 D125 E126	R118-A122 PolarHBondContact O-N 2.96Å; K119-A122 PolarHBondContact O-N 3Å; A122-K124 PolarHBondContact O-N 3.17Å; A122-D125 PolarHBondContact O-N 2.86Å; A122-E126 PolarHBondContact O-N 3.04Å; A122-E126 VanDerWaalsContact O-N 3.14Å
123	L	73.5	Confident	71.3	Confident	81 Å²	81	97.6 Å²	97.6	42%	0.424	50%	0.501	S	S	.	.	H	α-helix	trans	-69.3	-26.3	175	-73.2	171.3	0	0	0	113.7	K119 E121 A127	K119-L123 HydrophobicContact CG-CD1 4.19Å; K119-L123 WeakPolarHBondContact O-CG 3.47Å; K119-L123 PolarHBondContact O-N 2.98Å; E121-L123 PolarHBondContact O-N 2.9Å; L123-A127 WeakPolarHBondContact O-CB 3.26Å; L123-A127 PolarHBondContact O-N 3.2Å
124	K	71.4	Confident	68.8	Low	103 Å²	103	103.1 Å²	103.1	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-70.2	-41.8	171.1	-65.9	171.9	-166.2	168.9	0	110.8	K120 E121 A122 E126 A127 N128	K120-K124 WeakPolarHBondContact O-CG 3.48Å; K120-K124 PolarHBondContact O-N 3.16Å; E121-K124 WeakPolarHBondContact O-CA 3.26Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 2.84Å; E121-K124 VanDerWaalsContact OE1-CE 3.31Å; E121-K124 WeakPolarHBondContact OE1-CE 3.35Å; E121-K124 IonicContact OE1-NZ 3.57Å; E121-K124 PolarHBondContact OE1-NZ 3.24Å; E121-K124 WeakPolarHBondContact OE2-CD 3.1Å; E121-K124 WeakPolarHBondContact OE2-CE 3.34Å; E121-K124 IonicContact OE2-NZ 2.9Å; E121-K124 PolarHBondContact OE2-NZ 2.86Å; A122-K124 PolarHBondContact O-N 3.17Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 3.48Å; K124-A127 PolarHBondContact O-N 3.02Å; K124-N128 PolarHBondContact O-N 2.99Å; K124-N128 PolarHBondContact O-ND2 3.25Å
125	D	64.9	Low	66.6	Low	114 Å²	114	103.9 Å²	103.9	61%	0.61	54%	0.543	S	S	*	.	H	α-helix	trans	-62.9	-40	179	-69	-30.2	0	0	0	111.6	E121 A122	E121-D125 PolarHBondContact O-N 3.07Å; A122-D125 PolarHBondContact O-N 2.86Å
126	E	60.3	Low	64.9	Low	139 Å²	139	109.5 Å²	109.5	65%	0.65	57%	0.566	S	S	*	*	H	α-helix	trans	-73.1	-37.5	174.1	-67.9	-166.2	147.2	0	0	113.6	A122 K124 N128 Q129 K130	A122-E126 PolarHBondContact O-N 3.04Å; A122-E126 VanDerWaalsContact O-N 3.14Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 3.48Å; E126-N128 PolarHBondContact O-N 2.77Å; E126-Q129 PolarHBondContact O-N 2.9Å; E126-K130 PolarHBondContact O-N 2.94Å
127	A	57.8	Low	63.3	Low	70 Å²	70	117.5 Å²	117.5	58%	0.579	60%	0.604	S	S	*	*	H	α-helix	trans	-61.9	-25.3	177.8	0	0	0	0	0	112.9	L123 K124 Q129	L123-A127 WeakPolarHBondContact O-CB 3.26Å; L123-A127 PolarHBondContact O-N 3.2Å; K124-A127 PolarHBondContact O-N 3.02Å; A127-Q129 PolarHBondContact O-N 2.77Å
128	N	55.1	Low	61.6	Low	136 Å²	136	121.2 Å²	121.2	73%	0.727	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-4.5	171.6	-74.6	-49.2	0	0	0	114.1	K124 E126	K124-N128 PolarHBondContact O-N 2.99Å; K124-N128 PolarHBondContact O-ND2 3.25Å; E126-N128 PolarHBondContact O-N 2.77Å
129	Q	55.5	Low	60.8	Low	168 Å²	168	115.3 Å²	115.3	79%	0.785	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	-10	-178	-63.1	-165.1	33.6	0	0	116.1	E126 A127	E126-Q129 PolarHBondContact O-N 2.9Å; A127-Q129 PolarHBondContact O-N 2.77Å
130	K	43.8	Very low	60.5	Low	186 Å²	186	118.6 Å²	118.6	81%	0.809	62%	0.621	S	S	*	*	S	Bend	trans	-153.4	145.7	175.6	-109.6	156.1	-167.8	166.2	0	114.7	E126	E126-K130 PolarHBondContact O-N 2.94Å
131	D	47.9	Very low	60.4	Low	147 Å²	147	113.9 Å²	113.9	79%	0.786	60%	0.604	S	S	*	*			trans	-75.1	156.9	-178.3	-154.9	-9.8	0	0	0	112.6	G133	D131-G133 PolarHBondContact O-N 2.94Å
132	K	48.7	Very low	60.5	Low	199 Å²	199	109.8 Å²	109.8	87%	0.865	59%	0.585	S	S	*	*			trans	-33.8	104.1	-161.9	-67.4	172.6	-178	-177.2	0	116.9
133	G	40.9	Very low	61.1	Low	71 Å²	71	108.9 Å²	108.9	73%	0.732	57%	0.571	S	S	*	*			trans	-78.2	136.2	150	0	0	0	0	0	110.7	D131 C135	D131-G133 PolarHBondContact O-N 2.94Å; G133-C135 PolarHBondContact O-N 3.39Å
134	N	42.3	Very low	62.1	Low	159 Å²	159	106.9 Å²	106.9	85%	0.85	56%	0.56	S	S	*	*			trans	-77.8	85.7	-177	-167.8	52.9	0	0	0	111.7
135	C	45.1	Very low	63.2	Low	92 Å²	92	102 Å²	102	62%	0.622	54%	0.538	S	S	*	.			trans	-62.4	136	166.3	-167.4	0	0	0	0	109.1	G133 E137	G133-C135 PolarHBondContact O-N 3.39Å; C135-E137 PolarHBondContact O-N 3.05Å
136	K	55.8	Low	64.7	Low	136 Å²	136	96.6 Å²	96.6	59%	0.591	51%	0.509	S	S	*	.			trans	-71.9	130.6	-176.7	-66.8	-174	176.9	-170.5	0	110.8	D138 S139	K136-D138 PolarHBondContact O-N 2.83Å; K136-S139 PolarHBondContact O-N 2.81Å; K136-S139 VanDerWaalsContact O-N 3.15Å
137	E	56.5	Low	66.4	Low	175 Å²	175	90.4 Å²	90.4	82%	0.818	48%	0.481	S	S	*	.	H	α-helix	trans	-57	-47.7	-179.9	-157.3	157.2	-161.4	0	0	111.1	C135 S139 L140 A141	C135-E137 PolarHBondContact O-N 3.05Å; E137-S139 VanDerWaalsContact C-N 3.27Å; E137-S139 PolarHBondContact O-N 2.88Å; E137-L140 WeakPolarHBondContact O-CB 3.45Å; E137-L140 PolarHBondContact O-N 3.23Å; E137-A141 PolarHBondContact O-N 3.38Å
138	D	56.2	Low	68.3	Low	114 Å²	114	87.1 Å²	87.1	61%	0.61	45%	0.454	S	S	*	.	H	α-helix	trans	-48.8	-44.9	174.5	-23.7	-48.8	0	0	0	112.9	K136 L140 A141 S142	K136-D138 PolarHBondContact O-N 2.83Å; D138-L140 VanDerWaalsContact C-N 3.26Å; D138-L140 PolarHBondContact O-N 3.15Å; D138-A141 PolarHBondContact O-N 3.13Å; D138-S142 PolarHBondContact O-N 2.88Å; D138-S142 PolarHBondContact O-OG 3.01Å; D138-S142 VanDerWaalsContact O-OG 3.12Å
139	S	70.1	Confident	70.3	Confident	20 Å²	20	81 Å²	81	14%	0.14	42%	0.421	C	S	.	.	H	α-helix	trans	-71	-20.9	-176.2	-55.7	0	0	0	0	113.3	K136 E137 Y143	K136-S139 PolarHBondContact O-N 2.81Å; K136-S139 VanDerWaalsContact O-N 3.15Å; E137-S139 VanDerWaalsContact C-N 3.27Å; E137-S139 PolarHBondContact O-N 2.88Å; S139-Y143 WeakPolarHBondContact O-CD2 3.49Å; S139-Y143 VanDerWaalsContact O-CG 3.25Å; S139-Y143 PolarHBondContact O-N 2.91Å
140	L	78.5	Confident	72.2	Confident	120 Å²	120	73.3 Å²	73.3	63%	0.628	39%	0.386	S	S	*	.	H	α-helix	trans	-78.1	-41.3	175.5	-170.3	148.7	0	0	0	110.8	E137 D138 Y143 E144	E137-L140 WeakPolarHBondContact O-CB 3.45Å; E137-L140 PolarHBondContact O-N 3.23Å; D138-L140 VanDerWaalsContact C-N 3.26Å; D138-L140 PolarHBondContact O-N 3.15Å; L140-Y143 PolarHBondContact O-N 2.89Å; L140-E144 WeakPolarHBondContact O-CB 3.23Å; L140-E144 PolarHBondContact O-N 2.89Å
141	A	82.5	Confident	74.7	Confident	19 Å²	19	66 Å²	66	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-41.7	176	0	0	0	0	0	112	E137 D138 Y143 E144 L145 L188	E137-A141 PolarHBondContact O-N 3.38Å; D138-A141 PolarHBondContact O-N 3.13Å; A141-Y143 VanDerWaalsContact C-N 3.32Å; A141-Y143 PolarHBondContact O-N 2.96Å; A141-E144 PolarHBondContact O-N 3.15Å; A141-E144 VanDerWaalsContact O-N 3.14Å; A141-L145 PolarHBondContact O-N 3.35Å; A141-L188 HydrophobicContact CB-CD2 3.51Å; A141-L188 HydrophobicContact CB-CG 4.01Å
142	S	84.9	Confident	77.1	Confident	5 Å²	5	60 Å²	60	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-36.6	177	-45.9	0	0	0	0	112.5	D138 L145 T214	D138-S142 PolarHBondContact O-N 2.88Å; D138-S142 PolarHBondContact O-OG 3.01Å; D138-S142 VanDerWaalsContact O-OG 3.12Å; S142-L145 WeakPolarHBondContact O-CB 3.43Å; S142-L145 PolarHBondContact O-N 2.59Å; S142-T214 WeakPolarHBondContact CB-OG1 3.31Å; S142-T214 PolarHBondContact O-OG1 2.88Å
143	Y	91.8	Very high	79.3	Confident	32 Å²	32	51 Å²	51	13%	0.125	29%	0.287	C	S	.	.	H	α-helix	trans	-68.4	-37.1	172.6	-68.6	-7.9	0	0	0	112.5	I116 K119 S139 L140 A141 L145 I146 C147 T214 L218 E221	I116-Y143 HydrophobicContact CD1-CD1 3.93Å; I116-Y143 HydrophobicContact CD1-CG 4.15Å; I116-Y143 HydrophobicContact CG1-CD1 4.08Å; I116-Y143 HydrophobicContact CG1-CE1 4.47Å; I116-Y143 HydrophobicContact CG1-CG 4.19Å; I116-Y143 HydrophobicContact CG2-CD2 4.21Å; I116-Y143 HydrophobicContact CG2-CG 4.12Å; K119-Y143 HydrophobicContact CD-CE2 4.41Å; K119-Y143 PolarHBondContact NZ-OH 2.75Å; S139-Y143 WeakPolarHBondContact O-CD2 3.49Å; S139-Y143 VanDerWaalsContact O-CG 3.25Å; S139-Y143 PolarHBondContact O-N 2.91Å; L140-Y143 PolarHBondContact O-N 2.89Å; A141-Y143 VanDerWaalsContact C-N 3.32Å; A141-Y143 PolarHBondContact O-N 2.96Å; Y143-L145 PolarHBondContact O-N 2.64Å; Y143-I146 PolarHBondContact O-N 2.75Å; Y143-I146 VanDerWaalsContact O-N 3.16Å; Y143-C147 PolarHBondContact O-N 3.46Å; Y143-C147 PolarHBondContact O-SG 3.26Å; Y143-T214 HydrophobicContact CD1-CG2 3.77Å; Y143-T214 HydrophobicContact CE1-CG2 4.04Å; Y143-L218 HydrophobicContact CE1-CD2 3.92Å; Y143-L218 HydrophobicContact CE1-CG 4.15Å; Y143-E221 PolarHBondContact OH-OE2 3.46Å
144	E	93.8	Very high	81.8	Confident	40 Å²	40	49.5 Å²	49.5	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-26.7	177.9	-171.5	55.3	-152.3	0	0	111.8	L140 A141 C147 S148 R180 T184	L140-E144 WeakPolarHBondContact O-CB 3.23Å; L140-E144 PolarHBondContact O-N 2.89Å; A141-E144 PolarHBondContact O-N 3.15Å; A141-E144 VanDerWaalsContact O-N 3.14Å; E144-C147 PolarHBondContact O-N 2.86Å; E144-S148 WeakPolarHBondContact O-CB 3.44Å; E144-S148 PolarHBondContact O-N 2.76Å; E144-S148 PolarHBondContact O-OG 2.81Å; E144-R180 IonicContact OE1-CZ 2.66Å; E144-R180 IonicContact OE1-NE 2.74Å; E144-R180 PolarHBondContact OE1-NE 2.96Å; E144-R180 IonicContact OE1-NH2 2.7Å; E144-R180 PolarHBondContact OE1-NH2 3.23Å; E144-R180 IonicContact OE2-NH2 2.67Å; E144-R180 PolarHBondContact OE2-NH2 3.38Å; E144-T184 HydrophobicContact CB-CG2 4.01Å; E144-T184 HydrophobicContact CG-CG2 4.01Å
145	L	95.3	Very high	84.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-44.8	170	-172.9	72.3	0	0	0	111.7	A141 S142 Y143 C147 S148 L149 L181 T184 L188 N210 I211	A141-L145 PolarHBondContact O-N 3.35Å; S142-L145 WeakPolarHBondContact O-CB 3.43Å; S142-L145 PolarHBondContact O-N 2.59Å; Y143-L145 PolarHBondContact O-N 2.64Å; L145-C147 VanDerWaalsContact C-N 3.33Å; L145-S148 WeakPolarHBondContact CA-OG 3.43Å; L145-S148 PolarHBondContact O-N 3.43Å; L145-S148 PolarHBondContact O-OG 3.45Å; L145-S148 VanDerWaalsContact O-OG 3.07Å; L145-L149 HydrophobicContact CG-CD1 4.13Å; L145-L149 WeakPolarHBondContact O-CB 3.31Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 2.63Å; L145-L181 HydrophobicContact CD1-CD1 3.55Å; L145-T184 HydrophobicContact CB-CG2 4.26Å; L145-L188 HydrophobicContact CB-CD1 3.83Å; L145-L188 HydrophobicContact CD1-CD1 4.21Å; L145-L188 HydrophobicContact CD2-CD1 4.12Å; L145-L188 HydrophobicContact CG-CD1 4.28Å; L145-N210 HydrophobicContact CD2-CB 3.37Å; L145-I211 HydrophobicContact CD2-CG1 4.46Å
146	I	95.9	Very high	86.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-40.5	175	-54.3	-56.3	0	0	0	110.7	V109 L112 F113 I116 Y143 Q150 I211 T214	V109-I146 HydrophobicContact CG1-CG2 4.4Å; L112-I146 HydrophobicContact CB-CG2 3.79Å; L112-I146 HydrophobicContact CD1-CD1 4.19Å; F113-I146 HydrophobicContact CB-CG2 4.13Å; I116-I146 HydrophobicContact CD1-CB 3.7Å; I116-I146 HydrophobicContact CD1-CG1 3.8Å; I116-I146 HydrophobicContact CD1-CG2 3.88Å; Y143-I146 PolarHBondContact O-N 2.75Å; Y143-I146 VanDerWaalsContact O-N 3.16Å; I146-Q150 WeakPolarHBondContact O-CB 3.38Å; I146-Q150 PolarHBondContact O-N 2.87Å; I146-I211 HydrophobicContact CD1-CB 4.34Å; I146-I211 HydrophobicContact CD1-CG1 3.81Å; I146-I211 HydrophobicContact CD1-CG2 4.18Å; I146-T214 HydrophobicContact CD1-CG2 4.43Å; I146-T214 HydrophobicContact CG1-CG2 3.81Å
147	C	95.6	Very high	88.3	Confident	9 Å²	9	34.4 Å²	34.4	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-39.2	179.1	-60.9	0	0	0	0	112.5	F113 Y143 E144 L145 S151	F113-C147 HydrophobicContact CD2-CB 4.34Å; F113-C147 HydrophobicContact CE2-CB 4.24Å; Y143-C147 PolarHBondContact O-N 3.46Å; Y143-C147 PolarHBondContact O-SG 3.26Å; E144-C147 PolarHBondContact O-N 2.86Å; L145-C147 VanDerWaalsContact C-N 3.33Å; C147-S151 WeakPolarHBondContact O-CB 3.39Å; C147-S151 PolarHBondContact O-N 2.88Å; C147-S151 PolarHBondContact O-OG 3.37Å
148	S	97.3	Very high	89.9	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-75.7	-38	178.3	55.9	0	0	0	0	112.6	E144 L145 S151 L152 L181	E144-S148 WeakPolarHBondContact O-CB 3.44Å; E144-S148 PolarHBondContact O-N 2.76Å; E144-S148 PolarHBondContact O-OG 2.81Å; L145-S148 WeakPolarHBondContact CA-OG 3.43Å; L145-S148 PolarHBondContact O-N 3.43Å; L145-S148 PolarHBondContact O-OG 3.45Å; L145-S148 VanDerWaalsContact O-OG 3.07Å; S148-S151 PolarHBondContact O-N 3.3Å; S148-L152 PolarHBondContact O-N 2.77Å; S148-L181 WeakPolarHBondContact OG-CD1 3.2Å
149	L	97.5	Very high	91.5	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-49.9	168.3	-77.8	166.6	0	0	0	111.7	L96 V109 L145 S151 L152 I153 L181 I207 I211	L96-L149 HydrophobicContact CD2-CD2 4.15Å; V109-L149 HydrophobicContact CG1-CB 3.92Å; L145-L149 HydrophobicContact CG-CD1 4.13Å; L145-L149 WeakPolarHBondContact O-CB 3.31Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 2.63Å; L149-S151 VanDerWaalsContact C-N 3.31Å; L149-S151 PolarHBondContact O-N 3.28Å; L149-L152 PolarHBondContact O-N 2.98Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 2.87Å; L149-L181 HydrophobicContact CD2-CD1 4.04Å; L149-L181 HydrophobicContact CD2-CD2 3.68Å; L149-L181 HydrophobicContact CG-CD1 3.85Å; L149-L181 HydrophobicContact CG-CD2 4.3Å; L149-I207 HydrophobicContact CD1-CG2 4.5Å; L149-I211 HydrophobicContact CD1-CD1 3.88Å; L149-I211 HydrophobicContact CD1-CG1 4.22Å
150	Q	96.5	Very high	92.5	Very high	8 Å²	8	26 Å²	26	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-37.4	178.8	-176.6	56.8	32.9	0	0	111.9	V109 K110 F113 I146 I153 I154	V109-Q150 HydrophobicContact CG1-CB 4.06Å; K110-Q150 VanDerWaalsContact CA-OE1 3.25Å; F113-Q150 HydrophobicContact CB-CB 4.04Å; F113-Q150 HydrophobicContact CB-CG 3.96Å; F113-Q150 HydrophobicContact CD1-CG 3.87Å; F113-Q150 HydrophobicContact CD2-CB 4.04Å; F113-Q150 HydrophobicContact CD2-CG 4.16Å; F113-Q150 HydrophobicContact CE1-CG 4.41Å; F113-Q150 HydrophobicContact CG-CB 3.97Å; F113-Q150 HydrophobicContact CG-CG 3.71Å; I146-Q150 WeakPolarHBondContact O-CB 3.38Å; I146-Q150 PolarHBondContact O-N 2.87Å; Q150-I153 PolarHBondContact O-N 2.82Å; Q150-I154 HydrophobicContact CG-CD1 4.06Å; Q150-I154 WeakPolarHBondContact O-CG1 3.35Å; Q150-I154 PolarHBondContact O-N 2.85Å
151	S	96.3	Very high	92.8	Very high	31 Å²	31	20.7 Å²	20.7	22%	0.217	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-41.9	176.2	-58	0	0	0	0	111.6	C147 S148 L149 I154 S155 R180	C147-S151 WeakPolarHBondContact O-CB 3.39Å; C147-S151 PolarHBondContact O-N 2.88Å; C147-S151 PolarHBondContact O-OG 3.37Å; S148-S151 PolarHBondContact O-N 3.3Å; L149-S151 VanDerWaalsContact C-N 3.31Å; L149-S151 PolarHBondContact O-N 3.28Å; S151-I154 PolarHBondContact O-N 2.93Å; S151-S155 PolarHBondContact O-N 3.3Å; S151-S155 PolarHBondContact O-OG 3.38Å; S151-R180 PolarHBondContact OG-NH1 3.3Å
152	L	97.1	Very high	93.1	Very high	21 Å²	21	21.8 Å²	21.8	11%	0.11	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-42.8	175.5	-179.1	63.1	0	0	0	112	L83 L96 S148 L149 I154 S155 V156 T176 P178 L181	L83-L152 HydrophobicContact CD2-CD1 3.96Å; L96-L152 HydrophobicContact CD1-CD2 3.87Å; S148-L152 PolarHBondContact O-N 2.77Å; L149-L152 PolarHBondContact O-N 2.98Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.31Å; L152-S155 PolarHBondContact O-N 2.94Å; L152-V156 WeakPolarHBondContact O-CG2 3.29Å; L152-V156 PolarHBondContact O-N 2.66Å; L152-T176 HydrophobicContact CD1-CG2 3.91Å; L152-P178 HydrophobicContact CD1-CB 4.22Å; L152-P178 HydrophobicContact CD2-CB 3.92Å; L152-L181 HydrophobicContact CD2-CD2 3.71Å
153	I	95.5	Very high	93.3	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-45.5	175.2	-71.3	163.6	0	0	0	110.8	Y100 K106 V109 L149 Q150 V156 E157	Y100-I153 HydrophobicContact CD2-CG1 4.25Å; Y100-I153 HydrophobicContact CE2-CG2 4.38Å; K106-I153 HydrophobicContact CB-CD1 4.34Å; K106-I153 HydrophobicContact CD-CG1 4.49Å; K106-I153 HydrophobicContact CD-CG2 4Å; K106-I153 HydrophobicContact CG-CD1 4.21Å; K106-I153 HydrophobicContact CG-CG1 4.48Å; K106-I153 HydrophobicContact CG-CG2 4.49Å; V109-I153 HydrophobicContact CB-CD1 4.15Å; V109-I153 HydrophobicContact CG1-CD1 3.97Å; L149-I153 WeakPolarHBondContact O-CG1 3.44Å; L149-I153 PolarHBondContact O-N 2.87Å; Q150-I153 PolarHBondContact O-N 2.82Å; I153-V156 PolarHBondContact O-N 2.88Å; I153-E157 WeakPolarHBondContact O-CG 3.21Å; I153-E157 PolarHBondContact O-N 3.4Å
154	I	94	Very high	93.1	Very high	39 Å²	39	21.6 Å²	21.6	20%	0.2	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-46.5	177.5	-68.5	164.9	0	0	0	110.9	Q150 S151 L152 V156 E157 Q158	Q150-I154 HydrophobicContact CG-CD1 4.06Å; Q150-I154 WeakPolarHBondContact O-CG1 3.35Å; Q150-I154 PolarHBondContact O-N 2.85Å; S151-I154 PolarHBondContact O-N 2.93Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.31Å; I154-V156 VanDerWaalsContact C-N 3.31Å; I154-V156 PolarHBondContact O-N 3.16Å; I154-E157 PolarHBondContact O-N 3.37Å; I154-Q158 HydrophobicContact CG2-CG 4.09Å; I154-Q158 WeakPolarHBondContact O-CB 3.35Å; I154-Q158 VanDerWaalsContact O-CG 3.31Å; I154-Q158 WeakPolarHBondContact O-CG 3.23Å; I154-Q158 PolarHBondContact O-N 3.03Å
155	S	94.4	Very high	92.7	Very high	49 Å²	49	22.8 Å²	22.8	34%	0.343	13%	0.128	S	C	.	.	H	α-helix	trans	-59.1	-40.5	177.5	-64.4	0	0	0	0	112.6	S151 L152 L159	S151-S155 PolarHBondContact O-N 3.3Å; S151-S155 PolarHBondContact O-OG 3.38Å; L152-S155 PolarHBondContact O-N 2.94Å; S155-L159 WeakPolarHBondContact O-CB 3.31Å; S155-L159 PolarHBondContact O-N 2.96Å
156	V	93.6	Very high	92.2	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-51	174.5	164.9	0	0	0	0	111.1	V81 Y100 L152 I153 I154 Q158 L159 Q160 T176	V81-V156 HydrophobicContact CB-CG1 4.1Å; V81-V156 HydrophobicContact CG1-CG2 4.17Å; V81-V156 HydrophobicContact CG2-CG1 4.42Å; Y100-V156 HydrophobicContact CD2-CB 4.49Å; Y100-V156 HydrophobicContact CD2-CG1 4.06Å; Y100-V156 HydrophobicContact CE1-CG1 4.07Å; Y100-V156 HydrophobicContact CE2-CB 3.97Å; Y100-V156 HydrophobicContact CE2-CG1 3.4Å; Y100-V156 VanDerWaalsContact CZ-CG1 3.41Å; L152-V156 WeakPolarHBondContact O-CG2 3.29Å; L152-V156 PolarHBondContact O-N 2.66Å; I153-V156 PolarHBondContact O-N 2.88Å; I154-V156 VanDerWaalsContact C-N 3.31Å; I154-V156 PolarHBondContact O-N 3.16Å; V156-Q158 PolarHBondContact O-N 3.45Å; V156-L159 PolarHBondContact O-N 3.01Å; V156-Q160 VanDerWaalsContact O-CB 3.29Å; V156-Q160 WeakPolarHBondContact O-CB 3.39Å; V156-Q160 PolarHBondContact O-N 2.67Å; V156-T176 HydrophobicContact CG2-CG2 3.74Å
157	E	90.5	Very high	91.7	Very high	14 Å²	14	29 Å²	29	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-40.2	-178.4	-72.1	-179.9	-175.5	0	0	112.6	Y100 K106 I153 I154 A161 L608 N612	Y100-E157 HydrophobicContact CE2-CG 4.41Å; Y100-E157 WeakPolarHBondContact OH-CG 3.42Å; K106-E157 IonicContact NZ-OE1 2.59Å; K106-E157 PolarHBondContact NZ-OE1 3.16Å; I153-E157 WeakPolarHBondContact O-CG 3.21Å; I153-E157 PolarHBondContact O-N 3.4Å; I154-E157 PolarHBondContact O-N 3.37Å; E157-A161 VanDerWaalsContact O-CB 3.23Å; E157-A161 WeakPolarHBondContact O-CB 3.31Å; E157-A161 PolarHBondContact O-N 3.31Å; E157-L608 HydrophobicContact CB-CD2 4.22Å; E157-L608 HydrophobicContact CG-CD2 3.92Å; E157-N612 PolarHBondContact OE2-ND2 3.05Å
158	Q	89.9	Confident	91.1	Very high	94 Å²	94	35.7 Å²	35.7	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-65.5	-42	176.7	-74.8	180	-14.9	0	0	112.2	I154 V156 A161 S162	I154-Q158 HydrophobicContact CG2-CG 4.09Å; I154-Q158 WeakPolarHBondContact O-CB 3.35Å; I154-Q158 VanDerWaalsContact O-CG 3.31Å; I154-Q158 WeakPolarHBondContact O-CG 3.23Å; I154-Q158 PolarHBondContact O-N 3.03Å; V156-Q158 PolarHBondContact O-N 3.45Å; Q158-A161 PolarHBondContact O-N 3.29Å; Q158-S162 VanDerWaalsContact O-CB 3.26Å; Q158-S162 WeakPolarHBondContact O-CB 3.07Å; Q158-S162 PolarHBondContact O-N 2.84Å
159	L	91.1	Very high	90.5	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-42.2	177.9	-177.5	54.2	0	0	0	111.5	V81 S155 V156 S162 F163 Y170 L174 A175	V81-L159 HydrophobicContact CG1-CD2 3.81Å; V81-L159 HydrophobicContact CG1-CG 4.44Å; V81-L159 HydrophobicContact CG2-CB 4.09Å; V81-L159 HydrophobicContact CG2-CD2 4.3Å; V81-L159 HydrophobicContact CG2-CG 4.04Å; S155-L159 WeakPolarHBondContact O-CB 3.31Å; S155-L159 PolarHBondContact O-N 2.96Å; V156-L159 PolarHBondContact O-N 3.01Å; L159-S162 PolarHBondContact O-N 3.16Å; L159-F163 WeakPolarHBondContact O-CB 3.49Å; L159-F163 PolarHBondContact O-N 2.86Å; L159-Y170 HydrophobicContact CD1-CE1 3.62Å; L159-L174 HydrophobicContact CD1-CD1 3.7Å; L159-L174 HydrophobicContact CD2-CD1 4.33Å; L159-L174 HydrophobicContact CG-CD1 3.69Å; L159-L174 HydrophobicContact CG-CG 4.39Å; L159-A175 WeakPolarHBondContact CD2-O 3.19Å
160	Q	89.8	Confident	89.9	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-45.3	173.8	-167.7	176.5	23.3	0	0	111.9	P79 V81 V156 L164	P79-Q160 WeakPolarHBondContact O-CG 3.08Å; P79-Q160 PolarHBondContact O-NE2 2.96Å; V81-Q160 HydrophobicContact CG2-CB 3.92Å; V156-Q160 VanDerWaalsContact O-CB 3.29Å; V156-Q160 WeakPolarHBondContact O-CB 3.39Å; V156-Q160 PolarHBondContact O-N 2.67Å; Q160-L164 HydrophobicContact CG-CD1 4.46Å; Q160-L164 PolarHBondContact O-N 3.38Å; Q160-L164 VanDerWaalsContact O-N 3.08Å
161	A	86.4	Confident	88.8	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-44.5	176.5	0	0	0	0	0	112.5	E157 Q158 F163 L164 L165 F613	E157-A161 VanDerWaalsContact O-CB 3.23Å; E157-A161 WeakPolarHBondContact O-CB 3.31Å; E157-A161 PolarHBondContact O-N 3.31Å; Q158-A161 PolarHBondContact O-N 3.29Å; A161-F163 VanDerWaalsContact C-N 3.33Å; A161-F163 PolarHBondContact O-N 3.29Å; A161-L164 PolarHBondContact O-N 2.96Å; A161-L165 WeakPolarHBondContact O-CB 3.36Å; A161-L165 VanDerWaalsContact O-CG 3.24Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 3.3Å; A161-F613 HydrophobicContact CB-CD1 3.67Å; A161-F613 HydrophobicContact CB-CE1 3.42Å; A161-F613 VanDerWaalsContact CB-CE1 3.42Å; A161-F613 HydrophobicContact CB-CZ 4.35Å
162	S	88.6	Confident	87.7	Confident	42 Å²	42	54.2 Å²	54.2	29%	0.294	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-42	179	-179.1	0	0	0	0	111.7	Q158 L159 L165 N166 Y170	Q158-S162 VanDerWaalsContact O-CB 3.26Å; Q158-S162 WeakPolarHBondContact O-CB 3.07Å; Q158-S162 PolarHBondContact O-N 2.84Å; L159-S162 PolarHBondContact O-N 3.16Å; S162-L165 PolarHBondContact O-N 3.15Å; S162-N166 PolarHBondContact O-N 2.93Å; S162-N166 PolarHBondContact O-ND2 2.9Å; S162-Y170 VanDerWaalsContact CB-OH 3.3Å; S162-Y170 WeakPolarHBondContact CB-OH 3.21Å; S162-Y170 PolarHBondContact OG-OH 3.24Å
163	F	89.1	Confident	87.1	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-55.6	172.6	177.4	-97.5	0	0	0	111.9	L77 P79 L159 A161 L165 N166 P167 Y170 L174	L77-F163 HydrophobicContact CB-CE2 3.77Å; L77-F163 HydrophobicContact CB-CZ 3.81Å; L77-F163 HydrophobicContact CD1-CE2 4.29Å; L77-F163 VanDerWaalsContact O-CZ 3.28Å; L77-F163 WeakPolarHBondContact O-CZ 3.32Å; P79-F163 HydrophobicContact CB-CD1 4.05Å; P79-F163 HydrophobicContact CB-CE1 4.03Å; L159-F163 WeakPolarHBondContact O-CB 3.49Å; L159-F163 PolarHBondContact O-N 2.86Å; A161-F163 VanDerWaalsContact C-N 3.33Å; A161-F163 PolarHBondContact O-N 3.29Å; F163-L165 PolarHBondContact O-N 2.96Å; F163-L165 VanDerWaalsContact O-N 3.13Å; F163-N166 CarbonylContact O-C 3.26Å; F163-N166 VanDerWaalsContact O-C 3.26Å; F163-N166 PolarHBondContact O-N 3.19Å; F163-P167 HydrophobicContact CE2-CB 4.37Å; F163-P167 HydrophobicContact CZ-CB 4.38Å; F163-P167 WeakPolarHBondContact O-CA 3.31Å; F163-P167 WeakPolarHBondContact O-CD 3.33Å; F163-P167 WeakPolarHBondContact O-CG 3.25Å; F163-Y170 HydrophobicContact CB-CD2 4.22Å; F163-Y170 HydrophobicContact CB-CE2 4.14Å; F163-Y170 AromaticContact CD2-CD2 3.66Å; F163-Y170 HydrophobicContact CD2-CD2 3.66Å; F163-Y170 HydrophobicContact CD2-CE2 4.41Å; F163-Y170 AromaticContact CD2-CG 3.72Å; F163-Y170 HydrophobicContact CD2-CG 3.72Å; F163-Y170 HydrophobicContact CE2-CG 4.44Å; F163-Y170 HydrophobicContact CG-CD2 4.41Å; F163-L174 HydrophobicContact CB-CD1 3.77Å; F163-L174 HydrophobicContact CB-CD2 3.96Å; F163-L174 HydrophobicContact CD1-CD2 4.04Å; F163-L174 HydrophobicContact CD2-CD1 4.06Å; F163-L174 HydrophobicContact CD2-CD2 4.09Å; F163-L174 HydrophobicContact CG-CD1 4.09Å; F163-L174 HydrophobicContact CG-CD2 3.75Å
164	L	86.2	Confident	87	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-26	-179	-79.1	168.9	0	0	0	113.7	P79 Q160 A161 V736 L740	P79-L164 HydrophobicContact CB-CD1 4.15Å; P79-L164 HydrophobicContact CB-CD2 3.54Å; P79-L164 HydrophobicContact CB-CG 3.81Å; P79-L164 HydrophobicContact CG-CD2 4.37Å; Q160-L164 HydrophobicContact CG-CD1 4.46Å; Q160-L164 PolarHBondContact O-N 3.38Å; Q160-L164 VanDerWaalsContact O-N 3.08Å; A161-L164 PolarHBondContact O-N 2.96Å; L164-V736 HydrophobicContact CB-CG2 3.92Å; L164-V736 HydrophobicContact CD1-CB 4.33Å; L164-V736 HydrophobicContact CD1-CG1 3.82Å; L164-V736 HydrophobicContact CD1-CG2 4.27Å; L164-L740 HydrophobicContact CD1-CD1 4.34Å; L164-L740 HydrophobicContact CD1-CD2 4.13Å; L164-L740 HydrophobicContact CD1-CG 4.06Å
165	L	85.8	Confident	87	Confident	65 Å²	65	56.4 Å²	56.4	34%	0.34	30%	0.297	S	S	.	.	H	α-helix	trans	-87.5	-21.7	175.4	-66.6	174.7	0	0	0	114.1	A161 S162 F163 K732 V736	A161-L165 WeakPolarHBondContact O-CB 3.36Å; A161-L165 VanDerWaalsContact O-CG 3.24Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 3.3Å; S162-L165 PolarHBondContact O-N 3.15Å; F163-L165 PolarHBondContact O-N 2.96Å; F163-L165 VanDerWaalsContact O-N 3.13Å; L165-K732 HydrophobicContact CD2-CB 3.88Å; L165-K732 HydrophobicContact CD2-CD 4.02Å; L165-K732 HydrophobicContact CD2-CG 3.86Å; L165-V736 HydrophobicContact CD2-CG2 4.34Å; L165-V736 HydrophobicContact CG-CG2 4.49Å
166	N	86.1	Confident	87	Confident	63 Å²	63	55.3 Å²	55.3	34%	0.337	29%	0.288	S	S	.	.			trans	-147.9	62.5	-176.8	-53.4	-108.5	0	0	0	112.8	S162 F163 E168 K169	S162-N166 PolarHBondContact O-N 2.93Å; S162-N166 PolarHBondContact O-ND2 2.9Å; F163-N166 CarbonylContact O-C 3.26Å; F163-N166 VanDerWaalsContact O-C 3.26Å; F163-N166 PolarHBondContact O-N 3.19Å; N166-E168 VanDerWaalsContact C-N 3.28Å; N166-E168 PolarHBondContact O-N 2.99Å; N166-E168 VanDerWaalsContact O-N 3.16Å; N166-K169 HydrophobicContact CB-CB 4.5Å; N166-K169 HydrophobicContact CB-CD 3.75Å; N166-K169 HydrophobicContact CB-CG 4.04Å; N166-K169 PolarHBondContact O-N 3.01Å; N166-K169 VanDerWaalsContact O-N 3.08Å; N166-K169 PolarHBondContact OD1-NZ 2.83Å
167	P	84.3	Confident	87	Confident	67 Å²	67	58.1 Å²	58.1	44%	0.435	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-57.6	-37.5	-171.8	-26.3	34.8	0	0	0	114	F163 K169 Y170	F163-P167 HydrophobicContact CE2-CB 4.37Å; F163-P167 HydrophobicContact CZ-CB 4.38Å; F163-P167 WeakPolarHBondContact O-CA 3.31Å; F163-P167 WeakPolarHBondContact O-CD 3.33Å; F163-P167 WeakPolarHBondContact O-CG 3.25Å; P167-K169 PolarHBondContact O-N 2.84Å; P167-Y170 PolarHBondContact O-N 2.81Å
168	E	84	Confident	87.3	Confident	149 Å²	149	57.6 Å²	57.6	70%	0.696	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61.9	-8.4	179.9	-60.4	-68	173.6	0	0	115.1	R74 N166	R74-E168 IonicContact NH1-OE2 3.02Å; R74-E168 PolarHBondContact NH1-OE2 3.31Å; N166-E168 VanDerWaalsContact C-N 3.28Å; N166-E168 PolarHBondContact O-N 2.99Å; N166-E168 VanDerWaalsContact O-N 3.16Å
169	K	84.8	Confident	87.5	Confident	145 Å²	145	56.9 Å²	56.9	63%	0.63	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-83.8	-10.4	173.2	-69.1	-176.3	-179.5	170.4	0	113.7	N166 P167	N166-K169 HydrophobicContact CB-CB 4.5Å; N166-K169 HydrophobicContact CB-CD 3.75Å; N166-K169 HydrophobicContact CB-CG 4.04Å; N166-K169 PolarHBondContact O-N 3.01Å; N166-K169 VanDerWaalsContact O-N 3.08Å; N166-K169 PolarHBondContact OD1-NZ 2.83Å; P167-K169 PolarHBondContact O-N 2.84Å
170	Y	84.2	Confident	87.7	Confident	56 Å²	56	59.5 Å²	59.5	22%	0.22	30%	0.299	C	S	.	.			trans	-117.2	115.8	-173	-63.9	-90.1	0	0	0	109.4	L159 S162 F163 P167 L174	L159-Y170 HydrophobicContact CD1-CE1 3.62Å; S162-Y170 VanDerWaalsContact CB-OH 3.3Å; S162-Y170 WeakPolarHBondContact CB-OH 3.21Å; S162-Y170 PolarHBondContact OG-OH 3.24Å; F163-Y170 HydrophobicContact CB-CD2 4.22Å; F163-Y170 HydrophobicContact CB-CE2 4.14Å; F163-Y170 AromaticContact CD2-CD2 3.66Å; F163-Y170 HydrophobicContact CD2-CD2 3.66Å; F163-Y170 HydrophobicContact CD2-CE2 4.41Å; F163-Y170 AromaticContact CD2-CG 3.72Å; F163-Y170 HydrophobicContact CD2-CG 3.72Å; F163-Y170 HydrophobicContact CE2-CG 4.44Å; F163-Y170 HydrophobicContact CG-CD2 4.41Å; P167-Y170 PolarHBondContact O-N 2.81Å; Y170-L174 HydrophobicContact CD1-CD1 3.84Å; Y170-L174 HydrophobicContact CE1-CD1 3.92Å; Y170-L174 HydrophobicContact CG-CD1 4.42Å
171	T	73.6	Confident	88	Confident	98 Å²	98	59.4 Å²	59.4	60%	0.601	30%	0.299	S	S	*	.	S	Bend	trans	-105.5	-38.2	-171.5	40.4	0	0	0	0	114
172	D	73.3	Confident	88.4	Confident	138 Å²	138	59.1 Å²	59.1	74%	0.738	30%	0.296	S	S	*	.	S	Bend	trans	-127.6	-42	-162.8	-50.6	-81.7	0	0	0	114.1
173	E	83.8	Confident	88.7	Confident	91 Å²	91	60.8 Å²	60.8	43%	0.425	30%	0.302	S	S	.	.			trans	-146	147.1	-175.3	-163	-175.8	-124.2	0	0	111.4	N84 A175 S753	N84-E173 PolarHBondContact ND2-OE1 2.79Å; N84-E173 VanDerWaalsContact ND2-OE1 3.13Å; N84-E173 PolarHBondContact ND2-OE2 3.14Å; E173-A175 HydrophobicContact CG-CB 3.92Å; E173-S753 WeakPolarHBondContact OE1-CB 3.32Å; E173-S753 PolarHBondContact OE1-OG 2.83Å
174	L	92.7	Very high	89	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.042	30%	0.299	C	S	.	.			trans	-124.8	77.2	171.6	-170.8	70.1	0	0	0	109.7	L78 V81 G82 L159 F163 Y170	L78-L174 VanDerWaalsContact O-CD2 3.26Å; L78-L174 WeakPolarHBondContact O-CD2 3.3Å; V81-L174 CarbonylContact C-O 3.54Å; V81-L174 VanDerWaalsContact CA-O 3.31Å; V81-L174 WeakPolarHBondContact CA-O 3.3Å; V81-L174 HydrophobicContact CG2-CD2 4.3Å; V81-L174 HydrophobicContact CG2-CG 4.17Å; G82-L174 PolarHBondContact N-O 3.01Å; L159-L174 HydrophobicContact CD1-CD1 3.7Å; L159-L174 HydrophobicContact CD2-CD1 4.33Å; L159-L174 HydrophobicContact CG-CD1 3.69Å; L159-L174 HydrophobicContact CG-CG 4.39Å; F163-L174 HydrophobicContact CB-CD1 3.77Å; F163-L174 HydrophobicContact CB-CD2 3.96Å; F163-L174 HydrophobicContact CD1-CD2 4.04Å; F163-L174 HydrophobicContact CD2-CD1 4.06Å; F163-L174 HydrophobicContact CD2-CD2 4.09Å; F163-L174 HydrophobicContact CG-CD1 4.09Å; F163-L174 HydrophobicContact CG-CD2 3.75Å; Y170-L174 HydrophobicContact CD1-CD1 3.84Å; Y170-L174 HydrophobicContact CE1-CD1 3.92Å; Y170-L174 HydrophobicContact CG-CD1 4.42Å
175	A	94.4	Very high	89.3	Confident	18 Å²	18	59.4 Å²	59.4	15%	0.149	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.4	-175.5	0	0	0	0	0	113.5	G82 L159 E173	G82-A175 VanDerWaalsContact O-CA 3.23Å; G82-A175 WeakPolarHBondContact O-CA 3.36Å; G82-A175 WeakPolarHBondContact O-CB 3.42Å; L159-A175 WeakPolarHBondContact CD2-O 3.19Å; E173-A175 HydrophobicContact CG-CB 3.92Å
176	T	95.4	Very high	89.7	Confident	26 Å²	26	58.4 Å²	58.4	16%	0.16	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	169.9	174.9	-165.1	0	0	0	0	111.7	V81 G82 L83 N84 L152 V156	V81-T176 HydrophobicContact CG1-CG2 4.01Å; G82-T176 PolarHBondContact O-N 3.31Å; L83-T176 CarbonylContact C-O 3.54Å; L83-T176 VanDerWaalsContact CA-O 3.31Å; L83-T176 WeakPolarHBondContact CA-O 3.32Å; L83-T176 HydrophobicContact CD2-CG2 3.77Å; N84-T176 PolarHBondContact N-O 2.91Å; L152-T176 HydrophobicContact CD1-CG2 3.91Å; V156-T176 HydrophobicContact CG2-CG2 3.74Å
177	Q	93.8	Very high	90	Very high	65 Å²	65	61.7 Å²	61.7	30%	0.304	30%	0.3	S	S	.	.			trans	-118.4	117.4	-167.5	-54.6	-157.9	4.6	0	0	111.5	N84 L86 R179	N84-Q177 HydrophobicContact CB-CG 4Å; N84-Q177 WeakPolarHBondContact OD1-CG 3.37Å; N84-Q177 PolarHBondContact OD1-NE2 3.41Å; L86-Q177 HydrophobicContact CD2-CB 4.28Å; Q177-R179 HydrophobicContact CB-CG 3.99Å; Q177-R179 PolarHBondContact O-N 3.03Å
178	P	95.1	Very high	90.3	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.026	29%	0.289	C	S	.	.			trans	-77.7	37.5	-178.8	32.9	-35.8	0	0	0	113.2	L86 N93 L96 L152 R180 L181 L182	L86-P178 HydrophobicContact CD1-CG 4.18Å; N93-P178 WeakPolarHBondContact OD1-CG 3.14Å; L96-P178 HydrophobicContact CD1-CB 3.88Å; L96-P178 HydrophobicContact CD1-CG 4.28Å; L152-P178 HydrophobicContact CD1-CB 4.22Å; L152-P178 HydrophobicContact CD2-CB 3.92Å; P178-R180 PolarHBondContact O-N 3.01Å; P178-L181 HydrophobicContact CB-CB 4.49Å; P178-L181 PolarHBondContact O-N 2.89Å; P178-L182 WeakPolarHBondContact O-CB 3.33Å; P178-L182 PolarHBondContact O-N 3.13Å
179	R	95	Very high	90.7	Very high	79 Å²	79	55.4 Å²	55.4	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-56.6	-54.1	-171.8	-73.8	171.9	177.3	-172	5.9	113.1	L86 Q177 L181 L182 N183 E625	L86-R179 HydrophobicContact CD1-CB 4.36Å; L86-R179 HydrophobicContact CD1-CG 3.7Å; L86-R179 HydrophobicContact CD2-CG 4.12Å; Q177-R179 HydrophobicContact CB-CG 3.99Å; Q177-R179 PolarHBondContact O-N 3.03Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 2.88Å; R179-L182 PolarHBondContact O-N 2.74Å; R179-N183 PolarHBondContact O-N 3.21Å; R179-E625 WeakPolarHBondContact CB-OE1 3.5Å; R179-E625 WeakPolarHBondContact CD-OE1 3.09Å; R179-E625 IonicContact NH1-OE1 2.69Å
180	R	95.2	Very high	91	Very high	89 Å²	89	52.3 Å²	52.3	34%	0.336	26%	0.262	S	S	.	.	H	α-helix	trans	-56.7	-46.8	178.1	-175.2	-178.7	170.4	-172.8	-4.1	111.2	E144 S151 P178 N183 T184	E144-R180 IonicContact OE1-CZ 2.66Å; E144-R180 IonicContact OE1-NE 2.74Å; E144-R180 PolarHBondContact OE1-NE 2.96Å; E144-R180 IonicContact OE1-NH2 2.7Å; E144-R180 PolarHBondContact OE1-NH2 3.23Å; E144-R180 IonicContact OE2-NH2 2.67Å; E144-R180 PolarHBondContact OE2-NH2 3.38Å; S151-R180 PolarHBondContact OG-NH1 3.3Å; P178-R180 PolarHBondContact O-N 3.01Å; R180-N183 PolarHBondContact O-N 3.13Å; R180-T184 PolarHBondContact O-N 3.16Å; R180-T184 PolarHBondContact O-OG1 2.94Å; R180-T184 VanDerWaalsContact O-OG1 3.11Å
181	L	95.7	Very high	91.4	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-42.7	-179.1	178.9	57.1	0	0	0	112.7	L96 L145 S148 L149 L152 P178 R179 N183 T184 L185	L96-L181 HydrophobicContact CD1-CD2 3.74Å; L96-L181 HydrophobicContact CD2-CD2 3.57Å; L96-L181 HydrophobicContact CG-CD2 4.32Å; L145-L181 HydrophobicContact CD1-CD1 3.55Å; S148-L181 WeakPolarHBondContact OG-CD1 3.2Å; L149-L181 HydrophobicContact CD2-CD1 4.04Å; L149-L181 HydrophobicContact CD2-CD2 3.68Å; L149-L181 HydrophobicContact CG-CD1 3.85Å; L149-L181 HydrophobicContact CG-CD2 4.3Å; L152-L181 HydrophobicContact CD2-CD2 3.71Å; P178-L181 HydrophobicContact CB-CB 4.49Å; P178-L181 PolarHBondContact O-N 2.89Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 2.88Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 3.34Å; L181-T184 PolarHBondContact O-N 3.1Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 PolarHBondContact O-N 3.02Å
182	L	95.3	Very high	92.3	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-38.9	174.5	175.2	63.7	0	0	0	111.9	L86 T89 L92 P178 R179 L185 R186	L86-L182 HydrophobicContact CB-CD2 3.99Å; L86-L182 HydrophobicContact CD1-CD2 3.9Å; T89-L182 HydrophobicContact CG2-CD1 4.48Å; T89-L182 HydrophobicContact CG2-CD2 3.92Å; L92-L182 HydrophobicContact CD2-CB 4.16Å; L92-L182 HydrophobicContact CD2-CD1 3.82Å; P178-L182 WeakPolarHBondContact O-CB 3.33Å; P178-L182 PolarHBondContact O-N 3.13Å; R179-L182 PolarHBondContact O-N 2.74Å; L182-L185 PolarHBondContact O-N 3.1Å; L182-R186 WeakPolarHBondContact O-CG 3.4Å; L182-R186 PolarHBondContact O-N 2.7Å; L182-R186 VanDerWaalsContact O-N 3.09Å
183	N	94.6	Very high	92.9	Very high	76 Å²	76	48.1 Å²	48.1	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-70.6	-43.9	177.6	-69.1	-13.9	0	0	0	111.7	R179 R180 L181 L185 R186 E187	R179-N183 PolarHBondContact O-N 3.21Å; R180-N183 PolarHBondContact O-N 3.13Å; L181-N183 VanDerWaalsContact C-N 3.32Å; L181-N183 PolarHBondContact O-N 3.34Å; N183-L185 VanDerWaalsContact C-N 3.28Å; N183-L185 PolarHBondContact O-N 3.25Å; N183-R186 WeakPolarHBondContact O-CB 3.41Å; N183-R186 PolarHBondContact O-N 3.44Å; N183-R186 VanDerWaalsContact O-N 3.12Å; N183-R186 PolarHBondContact OD1-NH1 3.35Å; N183-R186 VanDerWaalsContact OD1-NH1 3.16Å; N183-E187 WeakPolarHBondContact O-CG 3.44Å; N183-E187 PolarHBondContact O-N 3.42Å
184	T	94.9	Very high	93.1	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-34.1	173.1	-53.6	0	0	0	0	112.5	E144 L145 R180 L181 R186 E187 L188	E144-T184 HydrophobicContact CB-CG2 4.01Å; E144-T184 HydrophobicContact CG-CG2 4.01Å; L145-T184 HydrophobicContact CB-CG2 4.26Å; R180-T184 PolarHBondContact O-N 3.16Å; R180-T184 PolarHBondContact O-OG1 2.94Å; R180-T184 VanDerWaalsContact O-OG1 3.11Å; L181-T184 PolarHBondContact O-N 3.1Å; T184-R186 VanDerWaalsContact C-N 3.34Å; T184-E187 PolarHBondContact O-N 2.94Å; T184-L188 HydrophobicContact CG2-CD1 4.17Å; T184-L188 WeakPolarHBondContact O-CB 3.31Å; T184-L188 WeakPolarHBondContact O-CG 3.45Å; T184-L188 PolarHBondContact O-N 2.89Å
185	L	93.9	Very high	92.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-34.9	174.2	-174.9	64	0	0	0	112.2	L92 L181 L182 N183 N189 Y192 V203 I207	L92-L185 HydrophobicContact CD1-CD2 4.06Å; L92-L185 HydrophobicContact CD2-CD2 4.46Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 PolarHBondContact O-N 3.02Å; L182-L185 PolarHBondContact O-N 3.1Å; N183-L185 VanDerWaalsContact C-N 3.28Å; N183-L185 PolarHBondContact O-N 3.25Å; L185-N189 PolarHBondContact O-N 3.46Å; L185-Y192 HydrophobicContact CD1-CD2 4.17Å; L185-Y192 HydrophobicContact CD1-CE2 4.05Å; L185-Y192 HydrophobicContact CD2-CD2 4.12Å; L185-Y192 HydrophobicContact CD2-CE2 4.35Å; L185-Y192 HydrophobicContact CD2-CG 4.49Å; L185-Y192 HydrophobicContact CG-CD2 3.7Å; L185-Y192 HydrophobicContact CG-CE2 4.05Å; L185-Y192 HydrophobicContact CG-CG 4.42Å; L185-V203 HydrophobicContact CD2-CG1 4.37Å; L185-I207 HydrophobicContact CD1-CG1 4.35Å
186	R	93.8	Very high	92.5	Very high	43 Å²	43	58 Å²	58	16%	0.162	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-43.4	172.3	-73.3	164.6	171.5	155.2	-5	112.3	L182 N183 T184 L188 N189 P190 Y192 E193 G194	L182-R186 WeakPolarHBondContact O-CG 3.4Å; L182-R186 PolarHBondContact O-N 2.7Å; L182-R186 VanDerWaalsContact O-N 3.09Å; N183-R186 WeakPolarHBondContact O-CB 3.41Å; N183-R186 PolarHBondContact O-N 3.44Å; N183-R186 VanDerWaalsContact O-N 3.12Å; N183-R186 PolarHBondContact OD1-NH1 3.35Å; N183-R186 VanDerWaalsContact OD1-NH1 3.16Å; T184-R186 VanDerWaalsContact C-N 3.34Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-L188 PolarHBondContact O-N 3.45Å; R186-N189 CarbonylContact O-C 3.59Å; R186-N189 PolarHBondContact O-N 3.21Å; R186-P190 WeakPolarHBondContact O-CA 3.36Å; R186-Y192 VanDerWaalsContact CG-O 3.28Å; R186-Y192 WeakPolarHBondContact CG-O 3.48Å; R186-Y192 PolarHBondContact NE-O 3.09Å; R186-E193 HydrophobicContact CB-CG 4.43Å; R186-G194 PolarHBondContact NH2-O 2.72Å
187	E	92.3	Very high	92.2	Very high	132 Å²	132	57.9 Å²	57.9	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-42.5	175.6	-70.5	165.1	-175.7	0	0	111.8	N183 T184	N183-E187 WeakPolarHBondContact O-CG 3.44Å; N183-E187 PolarHBondContact O-N 3.42Å; T184-E187 PolarHBondContact O-N 2.94Å
188	L	91.4	Very high	92.1	Very high	39 Å²	39	55.8 Å²	55.8	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-72.7	-32.3	176.6	-77.8	170.3	0	0	0	113.6	A141 L145 T184 R186 N210	A141-L188 HydrophobicContact CB-CD2 3.51Å; A141-L188 HydrophobicContact CB-CG 4.01Å; L145-L188 HydrophobicContact CB-CD1 3.83Å; L145-L188 HydrophobicContact CD1-CD1 4.21Å; L145-L188 HydrophobicContact CD2-CD1 4.12Å; L145-L188 HydrophobicContact CG-CD1 4.28Å; T184-L188 HydrophobicContact CG2-CD1 4.17Å; T184-L188 WeakPolarHBondContact O-CB 3.31Å; T184-L188 WeakPolarHBondContact O-CG 3.45Å; T184-L188 PolarHBondContact O-N 2.89Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-L188 PolarHBondContact O-N 3.45Å; L188-N210 HydrophobicContact CD1-CB 4.46Å
189	N	92.1	Very high	92	Very high	45 Å²	45	56.4 Å²	56.4	24%	0.241	28%	0.276	C	S	.	.			trans	-147.8	96.3	-179.3	-171.7	-4.1	0	0	0	111.4	L185 R186 M191 Y192	L185-N189 PolarHBondContact O-N 3.46Å; R186-N189 CarbonylContact O-C 3.59Å; R186-N189 PolarHBondContact O-N 3.21Å; N189-M191 PolarHBondContact ND2-SD 3.09Å; N189-M191 PolarHBondContact O-N 2.93Å; N189-M191 VanDerWaalsContact OD1-CG 3.27Å; N189-M191 WeakPolarHBondContact OD1-CG 3.39Å; N189-M191 PolarHBondContact OD1-N 3.49Å; N189-Y192 HydrophobicContact CB-CD2 3.95Å; N189-Y192 HydrophobicContact CB-CE2 3.9Å; N189-Y192 WeakPolarHBondContact ND2-CE2 3.36Å; N189-Y192 WeakPolarHBondContact O-CD2 3.41Å; N189-Y192 PolarHBondContact O-N 3.42Å; N189-Y192 VanDerWaalsContact O-N 3.16Å
190	P	91.5	Very high	92.1	Very high	80 Å²	80	52.7 Å²	52.7	52%	0.519	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.3	-6.4	-179.1	-30.1	37.5	0	0	0	115.9	R186 Y192 E193	R186-P190 WeakPolarHBondContact O-CA 3.36Å; P190-Y192 PolarHBondContact O-N 3.13Å; P190-E193 HydrophobicContact CB-CG 4.35Å; P190-E193 WeakPolarHBondContact O-CB 3.31Å; P190-E193 PolarHBondContact O-N 3.44Å
191	M	91.4	Very high	92.1	Very high	80 Å²	80	49.7 Å²	49.7	39%	0.394	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.2	171.3	81.9	-173.2	-86.9	0	0	113.1	N189 H198 E202	N189-M191 PolarHBondContact ND2-SD 3.09Å; N189-M191 PolarHBondContact O-N 2.93Å; N189-M191 VanDerWaalsContact OD1-CG 3.27Å; N189-M191 WeakPolarHBondContact OD1-CG 3.39Å; N189-M191 PolarHBondContact OD1-N 3.49Å; M191-H198 PolarHBondContact O-CE1 3.04Å; M191-E202 VanDerWaalsContact CE-OE2 3.23Å; M191-E202 WeakPolarHBondContact CE-OE2 3.4Å
192	Y	91.6	Very high	92	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-94.5	8.8	179	-53.1	-60	0	0	0	114.1	L185 R186 N189 P190 H198 E202 V203 C206	L185-Y192 HydrophobicContact CD1-CD2 4.17Å; L185-Y192 HydrophobicContact CD1-CE2 4.05Å; L185-Y192 HydrophobicContact CD2-CD2 4.12Å; L185-Y192 HydrophobicContact CD2-CE2 4.35Å; L185-Y192 HydrophobicContact CD2-CG 4.49Å; L185-Y192 HydrophobicContact CG-CD2 3.7Å; L185-Y192 HydrophobicContact CG-CE2 4.05Å; L185-Y192 HydrophobicContact CG-CG 4.42Å; R186-Y192 VanDerWaalsContact CG-O 3.28Å; R186-Y192 WeakPolarHBondContact CG-O 3.48Å; R186-Y192 PolarHBondContact NE-O 3.09Å; N189-Y192 HydrophobicContact CB-CD2 3.95Å; N189-Y192 HydrophobicContact CB-CE2 3.9Å; N189-Y192 WeakPolarHBondContact ND2-CE2 3.36Å; N189-Y192 WeakPolarHBondContact O-CD2 3.41Å; N189-Y192 PolarHBondContact O-N 3.42Å; N189-Y192 VanDerWaalsContact O-N 3.16Å; P190-Y192 PolarHBondContact O-N 3.13Å; Y192-H198 HydrophobicContact CD1-CB 4.16Å; Y192-H198 AromaticContact CD1-CD2 3.97Å; Y192-H198 AromaticContact CD1-CG 3.67Å; Y192-H198 AromaticContact CD1-ND1 3.79Å; Y192-H198 HydrophobicContact CE1-CB 4.08Å; Y192-E202 PolarHBondContact OH-O 2.9Å; Y192-V203 HydrophobicContact CD1-CG2 4.12Å; Y192-V203 HydrophobicContact CE1-CG2 3.3Å; Y192-C206 HydrophobicContact CE2-CB 4.2Å
193	E	87.8	Confident	92.1	Very high	122 Å²	122	53.7 Å²	53.7	57%	0.57	27%	0.27	S	S	*	.			trans	-66.3	149	175.5	-77.3	-175.9	-170.8	0	0	112.8	R186 P190	R186-E193 HydrophobicContact CB-CG 4.43Å; P190-E193 HydrophobicContact CB-CG 4.35Å; P190-E193 WeakPolarHBondContact O-CB 3.31Å; P190-E193 PolarHBondContact O-N 3.44Å
194	G	87	Confident	92.3	Very high	39 Å²	39	50.2 Å²	50.2	40%	0.402	25%	0.252	S	S	.	.	S	Bend	trans	75.5	-148.3	-177.2	0	0	0	0	0	113.3	R186	R186-G194 PolarHBondContact NH2-O 2.72Å
195	Y	86.4	Confident	92.3	Very high	166 Å²	166	52.8 Å²	52.8	65%	0.651	26%	0.263	S	S	*	.	S	Bend	trans	-126.6	33.9	-167.7	-54.1	-82.6	0	0	0	112.1	N88	N88-Y195 PolarHBondContact ND2-O 2.96Å
196	L	88.6	Confident	92.5	Very high	119 Å²	119	53.5 Å²	53.5	62%	0.623	27%	0.269	S	S	*	.			trans	-81.4	158	175.7	-64.2	178.8	0	0	0	110.7	H198	L196-H198 PolarHBondContact O-CD2 3.47Å; L196-H198 PolarHBondContact O-NE2 3Å
197	Q	88.9	Confident	92.6	Very high	24 Å²	24	51.5 Å²	51.5	11%	0.112	26%	0.261	C	S	.	.			trans	-89.6	137.5	168.9	-170.8	164.7	32.5	0	0	109.1	N88 C90 Y91 S591 G592 Y594	N88-Q197 HydrophobicContact CB-CB 4.32Å; C90-Q197 PolarHBondContact SG-NE2 3.48Å; Y91-Q197 HydrophobicContact CD1-CG 4.35Å; Q197-S591 VanDerWaalsContact OE1-CA 3.29Å; Q197-G592 VanDerWaalsContact NE2-C 3.31Å; Q197-G592 PolarHBondContact NE2-O 3.44Å; Q197-G592 PolarHBondContact OE1-O 2.67Å; Q197-Y594 HydrophobicContact CG-CE2 4.4Å
198	H	92.1	Very high	92.8	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.102	23%	0.232	C	C	.	.			trans	-121.3	168.1	-175.7	-63.4	-84.6	0	0	0	111.8	Y91 M191 Y192 L196 V203 Y594	Y91-H198 WeakPolarHBondContact CB-O 3.45Å; Y91-H198 HydrophobicContact CD1-CB 4.15Å; Y91-H198 HydrophobicContact CD2-CB 4.05Å; Y91-H198 HydrophobicContact CE1-CB 4.03Å; Y91-H198 AromaticContact CE1-CD2 3.66Å; Y91-H198 HydrophobicContact CE2-CB 3.93Å; Y91-H198 HydrophobicContact CG-CB 4.17Å; Y91-H198 AromaticContact CZ-CD2 3.57Å; Y91-H198 PolarHBondContact OH-CD2 2.8Å; M191-H198 PolarHBondContact O-CE1 3.04Å; Y192-H198 HydrophobicContact CD1-CB 4.16Å; Y192-H198 AromaticContact CD1-CD2 3.97Å; Y192-H198 AromaticContact CD1-CG 3.67Å; Y192-H198 AromaticContact CD1-ND1 3.79Å; Y192-H198 HydrophobicContact CE1-CB 4.08Å; L196-H198 PolarHBondContact O-CD2 3.47Å; L196-H198 PolarHBondContact O-NE2 3Å; H198-V203 HydrophobicContact CB-CG2 4.3Å; H198-Y594 WeakPolarHBondContact O-CE2 3.46Å; H198-Y594 PolarHBondContact O-OH 2.77Å
199	D	93.3	Very high	93	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.091	24%	0.237	C	C	.	.			trans	-73.2	124.4	173.8	-172.2	-23.3	0	0	0	110.3	Q201 E202 V203 I589 Y778	D199-Q201 PolarHBondContact O-N 3.44Å; D199-Q201 WeakPolarHBondContact OD1-CA 3.2Å; D199-Q201 VanDerWaalsContact OD1-CB 3.23Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.48Å; D199-Q201 PolarHBondContact OD1-N 2.92Å; D199-E202 HydrophobicContact CB-CB 4.07Å; D199-E202 HydrophobicContact CB-CG 3.85Å; D199-E202 PolarHBondContact O-N 2.78Å; D199-V203 VanDerWaalsContact O-CG2 3.27Å; D199-V203 WeakPolarHBondContact O-CG2 3.44Å; D199-V203 PolarHBondContact O-N 3.44Å; D199-V203 VanDerWaalsContact O-N 3.12Å; D199-I589 HydrophobicContact CB-CD1 4.07Å; D199-I589 HydrophobicContact CB-CG1 4.41Å; D199-Y778 WeakPolarHBondContact OD1-CE1 3.5Å; D199-Y778 PolarHBondContact OD1-OH 2.72Å; D199-Y778 PolarHBondContact OD2-OH 2.95Å
200	A	95.6	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-28.4	176.2	0	0	0	0	0	112.9	I95 L204 Y594 Y778 L779	I95-A200 HydrophobicContact CD1-CB 4.17Å; I95-A200 WeakPolarHBondContact CD1-O 3.03Å; I95-A200 HydrophobicContact CG1-CB 4.01Å; I95-A200 WeakPolarHBondContact CG1-O 3.48Å; A200-L204 WeakPolarHBondContact O-CB 3.41Å; A200-L204 PolarHBondContact O-N 3.48Å; A200-Y594 HydrophobicContact CB-CD1 3.99Å; A200-Y594 HydrophobicContact CB-CE1 3.77Å; A200-Y778 HydrophobicContact CB-CD1 4.46Å; A200-Y778 HydrophobicContact CB-CE1 4.39Å; A200-L779 HydrophobicContact CB-CD1 4.39Å
201	Q	95.6	Very high	93.4	Very high	26 Å²	26	40 Å²	40	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-69.5	-48.1	175.1	-162.7	-86.9	0	0	0	110.9	D199 V203 L204 Q205 D455 H531 Y778 L779	D199-Q201 PolarHBondContact O-N 3.44Å; D199-Q201 WeakPolarHBondContact OD1-CA 3.2Å; D199-Q201 VanDerWaalsContact OD1-CB 3.23Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.48Å; D199-Q201 PolarHBondContact OD1-N 2.92Å; Q201-V203 VanDerWaalsContact C-N 3.26Å; Q201-V203 PolarHBondContact O-N 3.18Å; Q201-L204 PolarHBondContact O-N 2.98Å; Q201-Q205 WeakPolarHBondContact O-CG 3.46Å; Q201-Q205 PolarHBondContact O-N 3.02Å; Q201-D455 PolarHBondContact NE2-OD2 3.02Å; Q201-H531 HydrophobicContact CG-CB 3.99Å; Q201-Y778 HydrophobicContact CB-CE1 4.14Å; Q201-L779 HydrophobicContact CB-CD2 4.03Å; Q201-L779 HydrophobicContact CG-CD2 3.93Å
202	E	95	Very high	93.5	Very high	91 Å²	91	38.3 Å²	38.3	43%	0.425	20%	0.198	S	C	.	.	H	α-helix	trans	-60.9	-37.6	177	-66.8	-173.2	145.8	0	0	111.4	M191 Y192 D199 Q205 C206	M191-E202 VanDerWaalsContact CE-OE2 3.23Å; M191-E202 WeakPolarHBondContact CE-OE2 3.4Å; Y192-E202 PolarHBondContact OH-O 2.9Å; D199-E202 HydrophobicContact CB-CB 4.07Å; D199-E202 HydrophobicContact CB-CG 3.85Å; D199-E202 PolarHBondContact O-N 2.78Å; E202-Q205 PolarHBondContact O-N 3.39Å; E202-C206 VanDerWaalsContact O-CB 3.32Å; E202-C206 WeakPolarHBondContact O-CB 3.46Å; E202-C206 PolarHBondContact O-N 2.93Å
203	V	96.4	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.7	-41	179.3	169.5	0	0	0	0	112	Y91 L92 L185 Y192 H198 D199 Q201 C206 I207	Y91-V203 HydrophobicContact CD2-CB 4.21Å; Y91-V203 HydrophobicContact CD2-CG1 4.19Å; Y91-V203 HydrophobicContact CD2-CG2 3.58Å; Y91-V203 HydrophobicContact CE2-CB 4.48Å; Y91-V203 HydrophobicContact CE2-CG1 4.29Å; Y91-V203 HydrophobicContact CE2-CG2 3.59Å; L92-V203 HydrophobicContact CD1-CG1 3.78Å; L185-V203 HydrophobicContact CD2-CG1 4.37Å; Y192-V203 HydrophobicContact CD1-CG2 4.12Å; Y192-V203 HydrophobicContact CE1-CG2 3.3Å; H198-V203 HydrophobicContact CB-CG2 4.3Å; D199-V203 VanDerWaalsContact O-CG2 3.27Å; D199-V203 WeakPolarHBondContact O-CG2 3.44Å; D199-V203 PolarHBondContact O-N 3.44Å; D199-V203 VanDerWaalsContact O-N 3.12Å; Q201-V203 VanDerWaalsContact C-N 3.26Å; Q201-V203 PolarHBondContact O-N 3.18Å; V203-C206 PolarHBondContact O-N 3.27Å; V203-I207 HydrophobicContact CG1-CD1 4.05Å; V203-I207 WeakPolarHBondContact O-CG1 3.29Å; V203-I207 PolarHBondContact O-N 2.95Å
204	L	97.8	Very high	93.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-48.2	170.8	178	65.1	0	0	0	111.5	I95 L99 A200 Q201 C206 I207 L208 T529 L779 F781	I95-L204 HydrophobicContact CD1-CB 3.97Å; I95-L204 HydrophobicContact CG1-CB 4.46Å; I95-L204 HydrophobicContact CG2-CB 4.24Å; I95-L204 HydrophobicContact CG2-CD1 4Å; L99-L204 HydrophobicContact CD1-CD1 4.27Å; L99-L204 HydrophobicContact CD2-CD1 4.07Å; L99-L204 HydrophobicContact CG-CD1 4.36Å; A200-L204 WeakPolarHBondContact O-CB 3.41Å; A200-L204 PolarHBondContact O-N 3.48Å; Q201-L204 PolarHBondContact O-N 2.98Å; L204-C206 VanDerWaalsContact C-N 3.32Å; L204-C206 PolarHBondContact O-N 3.42Å; L204-I207 PolarHBondContact O-N 2.99Å; L204-L208 HydrophobicContact CD1-CD1 3.87Å; L204-L208 HydrophobicContact CD1-CG 4.05Å; L204-L208 HydrophobicContact CG-CD1 4.03Å; L204-L208 HydrophobicContact CG-CG 4.46Å; L204-L208 WeakPolarHBondContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.25Å; L204-T529 HydrophobicContact CD2-CG2 3.83Å; L204-L779 HydrophobicContact CD2-CD1 4.33Å; L204-F781 HydrophobicContact CD2-CE1 3.81Å; L204-F781 HydrophobicContact CD2-CZ 3.9Å
205	Q	96.6	Very high	94	Very high	57 Å²	57	35.8 Å²	35.8	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-61.3	-40.1	177.5	-65.3	-81.3	-18	0	0	111.5	Q201 E202 G209 D455	Q201-Q205 WeakPolarHBondContact O-CG 3.46Å; Q201-Q205 PolarHBondContact O-N 3.02Å; E202-Q205 PolarHBondContact O-N 3.39Å; Q205-G209 WeakPolarHBondContact O-CA 3.4Å; Q205-G209 PolarHBondContact O-N 2.89Å; Q205-D455 PolarHBondContact NE2-OD1 3.38Å
206	C	96.6	Very high	94.3	Very high	17 Å²	17	31.8 Å²	31.8	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-43.1	178.1	-167.7	0	0	0	0	111.9	Y192 E202 V203 L204 N210	Y192-C206 HydrophobicContact CE2-CB 4.2Å; E202-C206 VanDerWaalsContact O-CB 3.32Å; E202-C206 WeakPolarHBondContact O-CB 3.46Å; E202-C206 PolarHBondContact O-N 2.93Å; V203-C206 PolarHBondContact O-N 3.27Å; L204-C206 VanDerWaalsContact C-N 3.32Å; L204-C206 PolarHBondContact O-N 3.42Å; C206-N210 WeakPolarHBondContact O-CB 3.42Å; C206-N210 PolarHBondContact O-N 3.48Å; C206-N210 VanDerWaalsContact O-N 3.12Å; C206-N210 PolarHBondContact O-ND2 3.18Å
207	I	97.3	Very high	94.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-53.2	175.9	-68.5	166.8	0	0	0	110.4	L92 I95 L96 L99 L149 L185 V203 L204 G209 N210 I211	L92-I207 HydrophobicContact CD1-CD1 3.93Å; I95-I207 HydrophobicContact CG2-CD1 4.22Å; L96-I207 HydrophobicContact CD2-CD1 4.29Å; L99-I207 HydrophobicContact CD1-CG2 4.08Å; L149-I207 HydrophobicContact CD1-CG2 4.5Å; L185-I207 HydrophobicContact CD1-CG1 4.35Å; V203-I207 HydrophobicContact CG1-CD1 4.05Å; V203-I207 WeakPolarHBondContact O-CG1 3.29Å; V203-I207 PolarHBondContact O-N 2.95Å; L204-I207 PolarHBondContact O-N 2.99Å; I207-G209 PolarHBondContact O-N 3.44Å; I207-N210 PolarHBondContact O-N 3.37Å; I207-I211 HydrophobicContact CG2-CD1 3.74Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 2.91Å
208	L	96.6	Very high	94.2	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-38.4	-178.6	-67	-178.4	0	0	0	112.4	L99 L204 I211 Q212 V426 F430	L99-L208 HydrophobicContact CD2-CD2 4.46Å; L204-L208 HydrophobicContact CD1-CD1 3.87Å; L204-L208 HydrophobicContact CD1-CG 4.05Å; L204-L208 HydrophobicContact CG-CD1 4.03Å; L204-L208 HydrophobicContact CG-CG 4.46Å; L204-L208 WeakPolarHBondContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 3.25Å; L208-I211 PolarHBondContact O-N 2.84Å; L208-Q212 WeakPolarHBondContact O-CB 3.42Å; L208-Q212 PolarHBondContact O-N 3.06Å; L208-V426 HydrophobicContact CB-CG1 4.43Å; L208-V426 HydrophobicContact CD2-CG2 4.46Å; L208-F430 HydrophobicContact CD1-CB 4.3Å; L208-F430 HydrophobicContact CD1-CD1 4.23Å; L208-F430 HydrophobicContact CD1-CD2 4.08Å; L208-F430 HydrophobicContact CD1-CE2 4.45Å; L208-F430 HydrophobicContact CD1-CG 3.96Å; L208-F430 HydrophobicContact CD2-CD2 3.67Å; L208-F430 HydrophobicContact CD2-CE2 3.55Å; L208-F430 HydrophobicContact CD2-CG 4.38Å; L208-F430 HydrophobicContact CD2-CZ 4.18Å
209	G	95.1	Very high	94	Very high	30 Å²	30	28.6 Å²	28.6	31%	0.309	15%	0.146	S	C	.	.	H	α-helix	trans	-61.3	-46.5	175.1	0	0	0	0	0	112.9	Q205 I207 Q212 E213	Q205-G209 WeakPolarHBondContact O-CA 3.4Å; Q205-G209 PolarHBondContact O-N 2.89Å; I207-G209 PolarHBondContact O-N 3.44Å; G209-Q212 PolarHBondContact O-N 3.2Å; G209-E213 PolarHBondContact O-N 3.02Å
210	N	95.4	Very high	93.7	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-35.9	176.8	-83.2	-79.6	0	0	0	112.9	L145 L188 C206 I207 T214	L145-N210 HydrophobicContact CD2-CB 3.37Å; L188-N210 HydrophobicContact CD1-CB 4.46Å; C206-N210 WeakPolarHBondContact O-CB 3.42Å; C206-N210 PolarHBondContact O-N 3.48Å; C206-N210 VanDerWaalsContact O-N 3.12Å; C206-N210 PolarHBondContact O-ND2 3.18Å; I207-N210 PolarHBondContact O-N 3.37Å; N210-T214 WeakPolarHBondContact O-CB 3.33Å; N210-T214 PolarHBondContact O-N 3.44Å; N210-T214 PolarHBondContact O-OG1 2.88Å
211	I	95.5	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-43	171.5	-62.9	166.1	0	0	0	109.8	F105 L112 L145 I146 L149 I207 L208 T214 C215 L425 V426	F105-I211 HydrophobicContact CE2-CD1 3.94Å; F105-I211 HydrophobicContact CZ-CD1 3.94Å; L112-I211 HydrophobicContact CD1-CG2 3.99Å; L145-I211 HydrophobicContact CD2-CG1 4.46Å; I146-I211 HydrophobicContact CD1-CB 4.34Å; I146-I211 HydrophobicContact CD1-CG1 3.81Å; I146-I211 HydrophobicContact CD1-CG2 4.18Å; L149-I211 HydrophobicContact CD1-CD1 3.88Å; L149-I211 HydrophobicContact CD1-CG1 4.22Å; I207-I211 HydrophobicContact CG2-CD1 3.74Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 2.91Å; L208-I211 PolarHBondContact O-N 2.84Å; I211-T214 WeakPolarHBondContact O-CB 3.46Å; I211-T214 PolarHBondContact O-N 2.97Å; I211-C215 PolarHBondContact O-N 3.28Å; I211-C215 PolarHBondContact O-SG 3.48Å; I211-L425 HydrophobicContact CG2-CD2 4.1Å; I211-V426 HydrophobicContact CB-CG2 3.95Å; I211-V426 HydrophobicContact CG2-CG2 3.63Å
212	Q	94.3	Very high	92.1	Very high	43 Å²	43	38.6 Å²	38.6	20%	0.201	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-41.5	178.9	-164.1	-173	16.4	0	0	112.1	L208 G209 C215 Q216 V426 Q454	L208-Q212 WeakPolarHBondContact O-CB 3.42Å; L208-Q212 PolarHBondContact O-N 3.06Å; G209-Q212 PolarHBondContact O-N 3.2Å; Q212-C215 WeakPolarHBondContact O-CB 3.42Å; Q212-C215 PolarHBondContact O-N 3.38Å; Q212-Q216 WeakPolarHBondContact O-CG 3.35Å; Q212-Q216 PolarHBondContact O-N 3.07Å; Q212-V426 HydrophobicContact CB-CB 4.15Å; Q212-V426 HydrophobicContact CB-CG1 4.24Å; Q212-V426 HydrophobicContact CB-CG2 4.22Å; Q212-V426 HydrophobicContact CG-CB 4.31Å; Q212-V426 HydrophobicContact CG-CG1 4.41Å; Q212-Q454 VanDerWaalsContact OE1-NE2 3.07Å
213	E	92.6	Very high	91.2	Very high	103 Å²	103	39.2 Å²	39.2	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-43.6	172.9	178	152.2	-151.5	0	0	111.1	G209 C215 Q216 L217	G209-E213 PolarHBondContact O-N 3.02Å; E213-C215 VanDerWaalsContact C-N 3.35Å; E213-C215 PolarHBondContact O-N 2.85Å; E213-Q216 CarbonylContact O-C 3.57Å; E213-Q216 PolarHBondContact O-N 2.89Å; E213-Q216 VanDerWaalsContact O-N 3.14Å; E213-L217 HydrophobicContact CG-CD1 4.04Å; E213-L217 HydrophobicContact CG-CG 4.22Å; E213-L217 WeakPolarHBondContact O-CG 3.29Å; E213-L217 PolarHBondContact O-N 3Å
214	T	92.8	Very high	90.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.6	-47.4	174	-61.2	0	0	0	0	111.8	I116 S142 Y143 I146 N210 I211 Q216 L217 L218	I116-T214 HydrophobicContact CD1-CG2 4.05Å; S142-T214 WeakPolarHBondContact CB-OG1 3.31Å; S142-T214 PolarHBondContact O-OG1 2.88Å; Y143-T214 HydrophobicContact CD1-CG2 3.77Å; Y143-T214 HydrophobicContact CE1-CG2 4.04Å; I146-T214 HydrophobicContact CD1-CG2 4.43Å; I146-T214 HydrophobicContact CG1-CG2 3.81Å; N210-T214 WeakPolarHBondContact O-CB 3.33Å; N210-T214 PolarHBondContact O-N 3.44Å; N210-T214 PolarHBondContact O-OG1 2.88Å; I211-T214 WeakPolarHBondContact O-CB 3.46Å; I211-T214 PolarHBondContact O-N 2.97Å; T214-Q216 VanDerWaalsContact C-N 3.35Å; T214-Q216 PolarHBondContact O-N 3.33Å; T214-L217 PolarHBondContact O-N 2.96Å; T214-L218 HydrophobicContact CG2-CD1 3.99Å; T214-L218 VanDerWaalsContact O-CG 3.3Å; T214-L218 WeakPolarHBondContact O-CG 3.35Å; T214-L218 PolarHBondContact O-N 2.85Å
215	C	92.7	Very high	88.5	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-48.1	174.6	-68.6	0	0	0	0	111.4	I211 Q212 E213 L217 L218 K219 F423	I211-C215 PolarHBondContact O-N 3.28Å; I211-C215 PolarHBondContact O-SG 3.48Å; Q212-C215 WeakPolarHBondContact O-CB 3.42Å; Q212-C215 PolarHBondContact O-N 3.38Å; E213-C215 VanDerWaalsContact C-N 3.35Å; E213-C215 PolarHBondContact O-N 2.85Å; C215-L217 PolarHBondContact O-N 3.36Å; C215-L218 PolarHBondContact O-N 3.46Å; C215-K219 WeakPolarHBondContact O-CG 3.46Å; C215-K219 PolarHBondContact O-N 2.85Å; C215-F423 WeakPolarHBondContact CB-O 3.49Å
216	Q	90.6	Very high	86.9	Confident	83 Å²	83	52.5 Å²	52.5	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-38.3	178.7	-74	-172.8	35.3	0	0	113.4	Q212 E213 T214 K220	Q212-Q216 WeakPolarHBondContact O-CG 3.35Å; Q212-Q216 PolarHBondContact O-N 3.07Å; E213-Q216 CarbonylContact O-C 3.57Å; E213-Q216 PolarHBondContact O-N 2.89Å; E213-Q216 VanDerWaalsContact O-N 3.14Å; T214-Q216 VanDerWaalsContact C-N 3.35Å; T214-Q216 PolarHBondContact O-N 3.33Å; Q216-K220 WeakPolarHBondContact O-CB 3.3Å; Q216-K220 WeakPolarHBondContact O-CD 3.4Å; Q216-K220 WeakPolarHBondContact O-CG 3.13Å; Q216-K220 PolarHBondContact O-N 3.21Å
217	L	89.2	Confident	85.1	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.188	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-49.4	176.1	-73.8	170.8	0	0	0	109.8	E213 T214 C215 K220 E221	E213-L217 HydrophobicContact CG-CD1 4.04Å; E213-L217 HydrophobicContact CG-CG 4.22Å; E213-L217 WeakPolarHBondContact O-CG 3.29Å; E213-L217 PolarHBondContact O-N 3Å; T214-L217 PolarHBondContact O-N 2.96Å; C215-L217 PolarHBondContact O-N 3.36Å; L217-K220 PolarHBondContact O-N 3Å; L217-K220 VanDerWaalsContact O-N 3.14Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 2.75Å; L217-E221 VanDerWaalsContact O-N 3.17Å
218	L	88.1	Confident	82.9	Confident	6 Å²	6	62.7 Å²	62.7	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-46.6	178.7	-64.4	169.9	0	0	0	111.9	L112 I115 I116 K119 Y143 T214 C215 K220 E221 E222 F423	L112-L218 HydrophobicContact CD2-CD1 3.98Å; I115-L218 HydrophobicContact CG2-CD1 4.14Å; I115-L218 HydrophobicContact CG2-CD2 4.07Å; I116-L218 HydrophobicContact CD1-CD1 4.43Å; I116-L218 HydrophobicContact CG1-CD1 4.04Å; I116-L218 HydrophobicContact CG1-CD2 4.43Å; K119-L218 HydrophobicContact CD-CD2 4.37Å; Y143-L218 HydrophobicContact CE1-CD2 3.92Å; Y143-L218 HydrophobicContact CE1-CG 4.15Å; T214-L218 HydrophobicContact CG2-CD1 3.99Å; T214-L218 VanDerWaalsContact O-CG 3.3Å; T214-L218 WeakPolarHBondContact O-CG 3.35Å; T214-L218 PolarHBondContact O-N 2.85Å; C215-L218 PolarHBondContact O-N 3.46Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.3Å; L218-E221 PolarHBondContact O-N 3.48Å; L218-E221 VanDerWaalsContact O-N 3.12Å; L218-E222 PolarHBondContact O-N 3.08Å; L218-E222 VanDerWaalsContact O-N 3.09Å; L218-F423 HydrophobicContact CB-CD1 3.94Å; L218-F423 HydrophobicContact CB-CE1 3.85Å
219	K	87.5	Confident	79.9	Confident	56 Å²	56	69.3 Å²	69.3	24%	0.243	37%	0.366	C	S	.	.	H	α-helix	trans	-54.4	-43.2	172.3	-70.1	-164	-165.6	-171.4	0	111.6	C215 E221 V223 F423 E424 E427	C215-K219 WeakPolarHBondContact O-CG 3.46Å; C215-K219 PolarHBondContact O-N 2.85Å; K219-E221 PolarHBondContact O-N 3.12Å; K219-V223 WeakPolarHBondContact O-CG2 3.43Å; K219-V223 PolarHBondContact O-N 2.71Å; K219-F423 HydrophobicContact CD-CB 4.28Å; K219-F423 WeakPolarHBondContact CE-O 3.47Å; K219-F423 HydrophobicContact CG-CB 3.73Å; K219-F423 HydrophobicContact CG-CD1 4.13Å; K219-F423 HydrophobicContact CG-CG 4.19Å; K219-E424 IonicContact NZ-OE1 2.7Å; K219-E424 PolarHBondContact NZ-OE1 3.38Å; K219-E427 IonicContact NZ-OE2 2.72Å; K219-E427 PolarHBondContact NZ-OE2 2.87Å
220	K	86.2	Confident	77.5	Confident	107 Å²	107	73 Å²	73	47%	0.465	39%	0.385	S	S	.	.	H	α-helix	trans	-71.6	-12.7	-178.1	-71.9	162.1	-164.2	163.3	0	113.9	Q216 L217 L218 K224	Q216-K220 WeakPolarHBondContact O-CB 3.3Å; Q216-K220 WeakPolarHBondContact O-CD 3.4Å; Q216-K220 WeakPolarHBondContact O-CG 3.13Å; Q216-K220 PolarHBondContact O-N 3.21Å; L217-K220 PolarHBondContact O-N 3Å; L217-K220 VanDerWaalsContact O-N 3.14Å; L218-K220 VanDerWaalsContact C-N 3.29Å; L218-K220 PolarHBondContact O-N 3.3Å; K220-K224 WeakPolarHBondContact O-CD 3.35Å; K220-K224 WeakPolarHBondContact O-CE 3.31Å; K220-K224 WeakPolarHBondContact O-CG 3.4Å
221	E	80.9	Confident	74.9	Confident	55 Å²	55	78.4 Å²	78.4	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-101.2	-41.7	179.9	-69	173	124.4	0	0	111.7	K119 Y143 L217 L218 K219 V223 K224 N225	K119-E221 IonicContact NZ-OE1 2.71Å; K119-E221 PolarHBondContact NZ-OE1 2.91Å; K119-E221 IonicContact NZ-OE2 2.71Å; K119-E221 PolarHBondContact NZ-OE2 3.36Å; Y143-E221 PolarHBondContact OH-OE2 3.46Å; L217-E221 WeakPolarHBondContact O-CG 3.46Å; L217-E221 PolarHBondContact O-N 2.75Å; L217-E221 VanDerWaalsContact O-N 3.17Å; L218-E221 PolarHBondContact O-N 3.48Å; L218-E221 VanDerWaalsContact O-N 3.12Å; K219-E221 PolarHBondContact O-N 3.12Å; E221-V223 VanDerWaalsContact C-N 3.29Å; E221-V223 PolarHBondContact O-N 3.11Å; E221-K224 WeakPolarHBondContact O-CB 3.41Å; E221-K224 PolarHBondContact O-N 3.36Å; E221-N225 PolarHBondContact O-N 2.83Å; E221-N225 PolarHBondContact O-OD1 3.2Å
222	E	76.8	Confident	72	Confident	90 Å²	90	87 Å²	87	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-55.8	-44.2	172.9	-175.6	172.1	-128.2	0	0	111.9	L218 K224 N225 V226 F423	L218-E222 PolarHBondContact O-N 3.08Å; L218-E222 VanDerWaalsContact O-N 3.09Å; E222-K224 PolarHBondContact O-N 2.81Å; E222-N225 PolarHBondContact O-N 3.24Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 3.01Å; E222-F423 WeakPolarHBondContact OE2-CZ 3.39Å
223	V	75.6	Confident	69.2	Low	104 Å²	104	90.7 Å²	90.7	63%	0.63	48%	0.481	S	S	*	.	H	α-helix	trans	-60.7	-30	175.8	171.9	0	0	0	0	112.9	K219 E221 A227	K219-V223 WeakPolarHBondContact O-CG2 3.43Å; K219-V223 PolarHBondContact O-N 2.71Å; E221-V223 VanDerWaalsContact C-N 3.29Å; E221-V223 PolarHBondContact O-N 3.11Å; V223-A227 WeakPolarHBondContact O-CB 3.36Å; V223-A227 PolarHBondContact O-N 2.87Å
224	K	73.3	Confident	66.4	Low	114 Å²	114	93.8 Å²	93.8	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-74.9	-45.8	175	-64.5	169.5	-171.6	162.5	0	111.1	K220 E221 E222 V226 A227 E228	K220-K224 WeakPolarHBondContact O-CD 3.35Å; K220-K224 WeakPolarHBondContact O-CE 3.31Å; K220-K224 WeakPolarHBondContact O-CG 3.4Å; E221-K224 WeakPolarHBondContact O-CB 3.41Å; E221-K224 PolarHBondContact O-N 3.36Å; E222-K224 PolarHBondContact O-N 2.81Å; K224-V226 PolarHBondContact O-N 2.84Å; K224-A227 CarbonylContact O-C 3.51Å; K224-A227 WeakPolarHBondContact O-CA 3.42Å; K224-A227 PolarHBondContact O-N 2.78Å; K224-E228 PolarHBondContact O-N 2.81Å
225	N	64.8	Low	63.6	Low	111 Å²	111	102.6 Å²	102.6	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-59.2	-37.3	-179.8	-64.1	-5.1	0	0	0	111.4	E221 E222 L229	E221-N225 PolarHBondContact O-N 2.83Å; E221-N225 PolarHBondContact O-OD1 3.2Å; E222-N225 PolarHBondContact O-N 3.24Å; N225-L229 WeakPolarHBondContact O-CD1 3.48Å
226	V	64.1	Low	60.7	Low	114 Å²	114	108.9 Å²	108.9	69%	0.691	57%	0.568	S	S	*	*	H	α-helix	trans	-69.9	-33	173.3	175.6	0	0	0	0	112.5	E222 K224	E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 3.01Å; K224-V226 PolarHBondContact O-N 2.84Å
227	A	57	Low	58	Low	81 Å²	81	110.5 Å²	110.5	67%	0.669	59%	0.586	S	S	*	*	H	α-helix	trans	-79.5	-17.7	-179.4	0	0	0	0	0	114.6	V223 K224	V223-A227 WeakPolarHBondContact O-CB 3.36Å; V223-A227 PolarHBondContact O-N 2.87Å; K224-A227 CarbonylContact O-C 3.51Å; K224-A227 WeakPolarHBondContact O-CA 3.42Å; K224-A227 PolarHBondContact O-N 2.78Å
228	E	51.6	Low	55.1	Low	151 Å²	151	117.2 Å²	117.2	71%	0.706	62%	0.616	S	S	*	*	S	Bend	trans	-96.2	-1.5	-174.9	-71.8	-173.3	-168.5	0	0	115	K224 P230	K224-E228 PolarHBondContact O-N 2.81Å; E228-P230 WeakPolarHBondContact O-CD 3.4Å
229	L	34.6	Very low	52.3	Low	142 Å²	142	125.9 Å²	125.9	74%	0.743	66%	0.656	S	S	*	*			trans	-68.6	114.4	171.6	-97.7	78.7	0	0	0	111.6	N225	N225-L229 WeakPolarHBondContact O-CD1 3.48Å
230	P	44	Very low	49.5	Very low	108 Å²	108	131.1 Å²	131.1	70%	0.701	68%	0.679	S	S	*	*			trans	-83.2	134	179.5	-6.8	26.2	0	0	0	110.9	E228 K232	E228-P230 WeakPolarHBondContact O-CD 3.4Å; P230-K232 VanDerWaalsContact C-N 3.31Å; P230-K232 PolarHBondContact O-N 3.41Å
231	T	40.1	Very low	46.6	Very low	135 Å²	135	135.5 Å²	135.5	83%	0.828	70%	0.701	S	S	*	*			trans	-69.7	81.6	177.1	-39.8	0	0	0	0	111.9	V233	T231-V233 HydrophobicContact CG2-CG2 4.26Å; T231-V233 PolarHBondContact O-N 2.85Å; T231-V233 VanDerWaalsContact O-N 3.15Å
232	K	35.4	Very low	44	Very low	182 Å²	182	139.4 Å²	139.4	79%	0.791	72%	0.719	S	S	*	*			trans	-76.1	93.5	166.9	-74.2	-173.6	177.8	-179.9	0	109.7	P230 E234	P230-K232 VanDerWaalsContact C-N 3.31Å; P230-K232 PolarHBondContact O-N 3.41Å; K232-E234 PolarHBondContact O-N 3.37Å
233	V	34.8	Very low	41.6	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	73%	0.734	S	S	*	*			trans	-74.6	111.7	160.1	-179.3	0	0	0	0	107.2	T231	T231-V233 HydrophobicContact CG2-CG2 4.26Å; T231-V233 PolarHBondContact O-N 2.85Å; T231-V233 VanDerWaalsContact O-N 3.15Å
234	E	34.1	Very low	39.3	Very low	169 Å²	169	142.8 Å²	142.8	79%	0.79	74%	0.743	S	S	*	*			trans	-82.3	113.4	169.6	-66	-168.4	145.2	0	0	109.2	K232 I236	K232-E234 PolarHBondContact O-N 3.37Å; E234-I236 PolarHBondContact O-N 3.24Å
235	E	33.7	Very low	37	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	75%	0.752	S	S	*	*			trans	-74.8	108.9	173.2	-67.9	-173.2	148	0	0	110.1
236	I	33.1	Very low	35.2	Very low	138 Å²	138	143 Å²	143	71%	0.708	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-81	121.6	170.4	-61.1	177.7	0	0	0	108.7	E234	E234-I236 PolarHBondContact O-N 3.24Å
237	P	32.5	Very low	33.5	Very low	117 Å²	117	144.6 Å²	144.6	76%	0.76	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-83	122	-175.3	31.6	-33.8	0	0	0	112.1
238	H	29.1	Very low	32.1	Very low	178 Å²	178	146 Å²	146	82%	0.824	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-104	140.5	164.5	-86.8	-80	0	0	0	111.7
239	Q	29.8	Very low	30.9	Very low	188 Å²	188	146.1 Å²	146.1	88%	0.879	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-91.5	146.3	-174.6	-62.6	-176.3	5.5	0	0	112.1
240	K	28	Very low	30.6	Very low	166 Å²	166	146.4 Å²	146.4	72%	0.722	77%	0.773	S	S	*	*			trans	-2.3	136.9	159.4	-62.8	178.6	156.8	-146.7	0	118.5	E242	K240-E242 IonicContact NZ-OE1 3.84Å; K240-E242 PolarHBondContact NZ-OE1 3.46Å
241	E	26.2	Very low	29.9	Very low	199 Å²	199	148.5 Å²	148.5	93%	0.93	78%	0.775	S	S	*	*				-126.7	161.3	124.9	-98	-174.4	160.9	0	0	110.8
242	E	26.1	Very low	29.3	Very low	136 Å²	136	147.5 Å²	147.5	64%	0.636	77%	0.765	S	S	*	*			trans	-113.6	163.8	-172.7	-96.2	169.9	-142	0	0	107.8	K240	K240-E242 IonicContact NZ-OE1 3.84Å; K240-E242 PolarHBondContact NZ-OE1 3.46Å
243	M	26.7	Very low	29	Very low	147 Å²	147	144.7 Å²	144.7	72%	0.724	77%	0.768	S	S	*	*			cis	-169.9	156	10.6	165.2	75.9	75	0	0	108.7
244	S	25.7	Very low	28.7	Very low	118 Å²	118	143.5 Å²	143.5	83%	0.825	76%	0.761	S	S	*	*			trans	65.6	153.6	164.5	69.6	0	0	0	0	119.6
245	G	25.5	Very low	28.5	Very low	66 Å²	66	146.7 Å²	146.7	68%	0.68	77%	0.766	S	S	*	*			cis	165.8	174.1	-11.1	0	0	0	0	0	115.2
246	I	28.2	Very low	28.3	Very low	163 Å²	163	144.8 Å²	144.8	84%	0.836	76%	0.757	S	S	*	*			trans	79.2	109.7	165.2	-50.6	177.4	0	0	0	118.7
247	N	27.2	Very low	28.2	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	75%	0.752	S	S	*	*			trans	10.1	135.1	142.5	-46	-14	0	0	0	120.2
248	S	27.3	Very low	28.2	Very low	111 Å²	111	144 Å²	144	78%	0.776	75%	0.749	S	S	*	*				-172.3	168.8	92.1	-153.2	0	0	0	0	114.5
249	M	26.2	Very low	28.3	Very low	153 Å²	153	140.6 Å²	140.6	75%	0.754	74%	0.737	S	S	*	*			trans	-54.6	171.5	175.9	-58.2	154.6	72.7	0	0	113.4
250	E	29	Very low	28.2	Very low	149 Å²	149	136.8 Å²	136.8	70%	0.696	73%	0.73	S	S	*	*			cis	-165.2	172.8	35.6	-148.7	165.9	-132	0	0	112.9
251	M	29.5	Very low	28.3	Very low	152 Å²	152	135.5 Å²	135.5	75%	0.749	73%	0.725	S	S	*	*			trans	21.6	151	144.8	-81.6	174.9	74.6	0	0	122.7
252	D	26.8	Very low	28.3	Very low	114 Å²	114	133 Å²	133	61%	0.61	71%	0.713	S	S	*	*			cis	-169.1	158.4	-11.7	-150.7	-10.5	0	0	0	109.2
253	S	29	Very low	28.3	Very low	123 Å²	123	134.9 Å²	134.9	86%	0.86	72%	0.719	S	S	*	*			trans	177.4	126.8	143.6	-87.3	0	0	0	0	112.7
254	V	29.8	Very low	28.5	Very low	93 Å²	93	135.8 Å²	135.8	56%	0.564	73%	0.726	S	S	*	*			trans	-122.1	134.1	-169.3	171.5	0	0	0	0	112.3
255	R	28.5	Very low	29.2	Very low	236 Å²	236	135.3 Å²	135.3	89%	0.891	72%	0.72	S	S	*	*			trans	-175.3	119.4	135.2	-95.9	153.5	-130.9	-124.8	4.5	108.2
256	H	30.1	Very low	29.5	Very low	146 Å²	146	142 Å²	142	68%	0.676	73%	0.731	S	S	*	*				57.8	135.2	66.6	-78.1	-74	0	0	0	113.4	E258	H256-E258 IonicContact CE1-OE1 2.9Å; H256-E258 IonicContact ND1-OE1 3.14Å; H256-E258 PolarHBondContact ND1-OE1 2.72Å
257	S	31.1	Very low	29.3	Very low	88 Å²	88	138 Å²	138	62%	0.615	73%	0.729	S	S	*	*			cis	-164.5	138.9	9.9	37.5	0	0	0	0	113.8
258	E	32.9	Very low	29.4	Very low	150 Å²	150	139.5 Å²	139.5	70%	0.701	74%	0.737	S	S	*	*			trans	64.2	148.6	133.7	-66.4	138.1	-122.8	0	0	120.8	H256	H256-E258 IonicContact CE1-OE1 2.9Å; H256-E258 IonicContact ND1-OE1 3.14Å; H256-E258 PolarHBondContact ND1-OE1 2.72Å
259	D	31.4	Very low	29.5	Very low	106 Å²	106	138.2 Å²	138.2	57%	0.567	74%	0.741	S	S	*	*			cis	-135.1	-158.5	5.9	-158.7	59.6	0	0	0	113.4	K261	D259-K261 IonicContact OD1-NZ 2.65Å; D259-K261 PolarHBondContact OD1-NZ 3.09Å; D259-K261 VanDerWaalsContact OD2-CD 3.3Å; D259-K261 WeakPolarHBondContact OD2-CD 3.33Å; D259-K261 WeakPolarHBondContact OD2-CE 3.38Å; D259-K261 IonicContact OD2-NZ 2.75Å; D259-K261 PolarHBondContact OD2-NZ 2.92Å
260	C	27.8	Very low	29.8	Very low	109 Å²	109	140.5 Å²	140.5	74%	0.736	75%	0.747	S	S	*	*			trans	-132.2	-132.7	179.2	-49.6	0	0	0	0	109.4
261	K	28.9	Very low	30	Very low	139 Å²	139	145.4 Å²	145.4	60%	0.604	76%	0.759	S	S	*	*			cis	-126.5	139.2	-0.7	-90	85.6	-168.5	-172.7	0	107.6	D259	D259-K261 IonicContact OD1-NZ 2.65Å; D259-K261 PolarHBondContact OD1-NZ 3.09Å; D259-K261 VanDerWaalsContact OD2-CD 3.3Å; D259-K261 WeakPolarHBondContact OD2-CD 3.33Å; D259-K261 WeakPolarHBondContact OD2-CE 3.38Å; D259-K261 IonicContact OD2-NZ 2.75Å; D259-K261 PolarHBondContact OD2-NZ 2.92Å
262	E	27.3	Very low	30.1	Very low	145 Å²	145	147.4 Å²	147.4	68%	0.678	76%	0.764	S	S	*	*				67.1	109.8	61.7	-159.8	-147.4	-160.1	0	0	113.1
263	K	26.2	Very low	30.4	Very low	177 Å²	177	146.8 Å²	146.8	77%	0.77	77%	0.768	S	S	*	*				172.1	135.1	115.4	-90.6	177	-165.8	-170.6	0	115.4
264	L	29.2	Very low	30.5	Very low	165 Å²	165	147.6 Å²	147.6	86%	0.864	76%	0.763	S	S	*	*			trans	-91	-173	156.1	-72.9	165.9	0	0	0	107.9
265	P	41	Very low	30.7	Very low	108 Å²	108	149.2 Å²	149.2	70%	0.701	77%	0.773	S	S	*	*			cis	-144.5	-177.5	8.8	44.6	-25	0	0	0	117.8
266	K	31.9	Very low	30.9	Very low	208 Å²	208	145.3 Å²	145.3	90%	0.904	77%	0.765	S	S	*	*			trans	33.8	133.7	143.4	-68.8	174.9	178.9	177.9	0	121.7
267	G	25	Very low	30.9	Very low	78 Å²	78	147.6 Å²	147.6	80%	0.804	77%	0.773	S	S	*	*			trans	-160.1	134.7	156.2	0	0	0	0	0	113.6
268	N	28.4	Very low	30.7	Very low	180 Å²	180	146.5 Å²	146.5	96%	0.963	78%	0.776	S	S	*	*			trans	-108.3	147.6	174.9	-86.7	-17.8	0	0	0	110.6
269	G	28.8	Very low	30.7	Very low	83 Å²	83	147.2 Å²	147.2	86%	0.856	78%	0.784	S	S	*	*			trans	-179.4	135.7	168.6	0	0	0	0	0	115.8
270	K	33	Very low	30.6	Very low	201 Å²	201	149.4 Å²	149.4	87%	0.874	79%	0.793	S	S	*	*			trans	-117.5	136.8	169.5	-66.9	176.9	178	175.2	0	109.6
271	R	32.5	Very low	30.9	Very low	252 Å²	252	152.9 Å²	152.9	95%	0.951	80%	0.796	S	S	*	*				157.3	170.4	129.4	-86	169.9	179.6	173.2	1.2	113.3
272	K	33.2	Very low	31.1	Very low	195 Å²	195	156 Å²	156	85%	0.848	81%	0.809	S	S	*	*			trans	-89.1	156.7	-176.9	-44.9	170.3	178.6	-179.1	0	111.6
273	S	33	Very low	31.3	Very low	100 Å²	100	158.6 Å²	158.6	70%	0.699	82%	0.818	S	S	*	*				166.6	117.8	109.3	58.7	0	0	0	0	114.7
274	D	30	Very low	31.5	Very low	140 Å²	140	155.7 Å²	155.7	75%	0.749	82%	0.815	S	S	*	*				55.9	146.9	126.1	-43.4	-37.8	0	0	0	124.9
275	T	34.6	Very low	31.3	Very low	127 Å²	127	156 Å²	156	78%	0.779	81%	0.81	S	S	*	*			trans	74	148	155.7	21.5	0	0	0	0	119.6
276	E	33	Very low	30.6	Very low	154 Å²	154	155.8 Å²	155.8	72%	0.72	81%	0.806	S	S	*	*			cis	-155.8	-179.8	-0.5	-162.7	159.4	-146.2	0	0	112.8
277	F	30	Very low	30.4	Very low	195 Å²	195	150.8 Å²	150.8	86%	0.855	80%	0.797	S	S	*	*			trans	76.8	133.4	171.4	-66	-92.1	0	0	0	118.8
278	G	27.4	Very low	30.4	Very low	65 Å²	65	154.7 Å²	154.7	67%	0.67	79%	0.792	S	S	*	*			cis	169.9	125.6	-14.2	0	0	0	0	0	116.8
279	N	31.3	Very low	30.2	Very low	165 Å²	165	152.6 Å²	152.6	88%	0.882	78%	0.776	S	S	*	*			trans	63.4	157.2	164.1	-84.7	-56.9	0	0	0	118.5
280	M	30.9	Very low	30.1	Very low	151 Å²	151	156 Å²	156	74%	0.744	77%	0.769	S	S	*	*			cis	-157.2	164.9	25.3	-154.5	163.6	61.5	0	0	114.8
281	K	33.2	Very low	29.8	Very low	182 Å²	182	154 Å²	154	79%	0.791	76%	0.764	S	S	*	*			trans	92.2	85.5	162.3	-59.6	-175.9	179.8	176.2	0	121.1
282	K	33.2	Very low	29.4	Very low	205 Å²	205	148.2 Å²	148.2	89%	0.891	76%	0.761	S	S	*	*			trans	-3.9	144.4	131.9	-71.4	168.1	171.7	168.9	0	117
283	K	31	Very low	29	Very low	199 Å²	199	146.5 Å²	146.5	87%	0.865	76%	0.761	S	S	*	*			cis	-158.4	-166.3	42.8	-103.2	-177.3	176.2	176.2	0	108.2
284	V	30.5	Very low	28.7	Very low	116 Å²	116	149.6 Å²	149.6	70%	0.703	76%	0.764	S	S	*	*			cis	179.8	157.9	-45.1	83.3	0	0	0	0	105.1
285	K	25.8	Very low	28.5	Very low	173 Å²	173	150.3 Å²	150.3	75%	0.752	76%	0.763	S	S	*	*			cis	-155.3	138.3	30.2	-130.6	-142.8	164	-167.8	0	107.1
286	V	26.7	Very low	28.1	Very low	102 Å²	102	150 Å²	150	62%	0.618	76%	0.756	S	S	*	*				85.1	111.4	81.8	167.2	0	0	0	0	118.2
287	S	26.5	Very low	27.8	Very low	103 Å²	103	151.4 Å²	151.4	72%	0.72	76%	0.763	S	S	*	*			trans	74.2	136.6	139.2	75.1	0	0	0	0	126.4
288	K	26.4	Very low	27.6	Very low	160 Å²	160	152 Å²	152	70%	0.696	76%	0.76	S	S	*	*			trans	83.4	122.2	132.7	-102.7	-170.5	179	-108.2	0	122.3
289	E	23.9	Very low	27.6	Very low	136 Å²	136	156.7 Å²	156.7	64%	0.636	76%	0.764	S	S	*	*				66.3	140	127.1	-84.4	167	-160.1	0	0	124.8
290	H	26.9	Very low	27.4	Very low	154 Å²	154	154.2 Å²	154.2	71%	0.713	76%	0.755	S	S	*	*			trans	74.7	146.2	150.7	-90	-92	0	0	0	123.1
291	Q	25.1	Very low	27.1	Very low	161 Å²	161	158 Å²	158	75%	0.752	76%	0.761	S	S	*	*			trans	-39.5	150.5	174.8	-59.5	149.9	-60.4	0	0	116.9
292	S	24.7	Very low	27.1	Very low	129 Å²	129	153.5 Å²	153.5	90%	0.902	75%	0.753	S	S	*	*				-164.4	178.3	126	18	0	0	0	0	111.2
293	L	25.3	Very low	27.1	Very low	159 Å²	159	152.8 Å²	152.8	83%	0.832	75%	0.749	S	S	*	*			trans	-101.8	178.5	-166.6	-79.9	151.4	0	0	0	113.6
294	E	25.8	Very low	27.4	Very low	166 Å²	166	154.1 Å²	154.1	78%	0.776	75%	0.749	S	S	*	*			trans	93.1	117.2	143.5	-88.2	165.9	-162.5	0	0	123
295	E	26.8	Very low	27.7	Very low	155 Å²	155	156.8 Å²	156.8	72%	0.724	75%	0.751	S	S	*	*				64	116.4	130	-79.8	-145.8	110.7	0	0	125.1
296	N	26.4	Very low	28	Very low	119 Å²	119	152.5 Å²	152.5	64%	0.636	75%	0.748	S	S	*	*				52.9	103.2	120.8	-77.2	-37.5	0	0	0	121.6
297	Q	26.3	Very low	28.3	Very low	185 Å²	185	153 Å²	153	86%	0.864	75%	0.752	S	S	*	*				-160.6	121.6	122.2	-103.7	151	90.4	0	0	109.4
298	R	26	Very low	28.4	Very low	208 Å²	208	152 Å²	152	79%	0.785	74%	0.744	S	S	*	*				61.5	110	78.5	-72.1	-169.5	177.3	-168.9	2.4	115.8
299	Q	27.7	Very low	28.7	Very low	162 Å²	162	150.6 Å²	150.6	76%	0.757	74%	0.744	S	S	*	*			trans	59.7	137.7	135.4	-49.9	178	-16.6	0	0	118.7
300	T	25.8	Very low	29.1	Very low	114 Å²	114	149.3 Å²	149.3	70%	0.699	75%	0.746	S	S	*	*				-179.5	168.4	67.9	41.5	0	0	0	0	112.5
301	R	25.9	Very low	29.3	Very low	231 Å²	231	148.8 Å²	148.8	87%	0.872	75%	0.748	S	S	*	*			trans	74	147.5	153.7	-79	168	93.9	161.5	3.1	117.6
302	S	32.3	Very low	29.3	Very low	87 Å²	87	148.2 Å²	148.2	61%	0.608	75%	0.745	S	S	*	*			cis	-146.4	132.6	-2.9	-171.6	0	0	0	0	108.9
303	K	34	Very low	29.4	Very low	189 Å²	189	149 Å²	149	82%	0.822	74%	0.738	S	S	*	*				49.5	126.6	80.1	-102.1	174.1	-177.7	172.9	0	112.3
304	R	37.4	Very low	30.9	Very low	227 Å²	227	146 Å²	146	86%	0.857	73%	0.728	S	S	*	*			cis	-140.7	152.9	37.1	-70	178.4	179.8	175.7	-1.6	111.9
305	K	35.9	Very low	32.1	Very low	173 Å²	173	143 Å²	143	75%	0.752	72%	0.722	S	S	*	*				68.6	128.4	61.6	-131.9	-157.5	176.6	-163	0	111.1
306	A	33.3	Very low	32.4	Very low	83 Å²	83	144.7 Å²	144.7	69%	0.686	73%	0.727	S	S	*	*				-175.6	163.9	64.9	0	0	0	0	0	111
307	T	31.1	Very low	32.4	Very low	113 Å²	113	147.1 Å²	147.1	69%	0.693	74%	0.739	S	S	*	*			cis	-168.2	147.6	1.8	18.4	0	0	0	0	110.1
308	S	30.5	Very low	32.5	Very low	81 Å²	81	145.5 Å²	145.5	57%	0.566	73%	0.734	S	S	*	*			cis	-147.2	-57	-23.2	-3.1	0	0	0	0	115.2
309	D	30.9	Very low	33.3	Very low	131 Å²	131	141 Å²	141	70%	0.701	73%	0.732	S	S	*	*				-147.6	170.5	-78.3	-119.4	-36.2	0	0	0	108.3
310	T	32.1	Very low	33.2	Very low	108 Å²	108	141.9 Å²	141.9	66%	0.663	73%	0.734	S	S	*	*			cis	-169.6	157.2	-10.6	-129.8	0	0	0	0	105.2
311	L	31.1	Very low	33.1	Very low	144 Å²	144	141.3 Å²	141.3	75%	0.754	73%	0.733	S	S	*	*			cis	-162.9	178	-20.2	-98.8	169.5	0	0	0	105.3
312	E	26.5	Very low	33.2	Very low	148 Å²	148	137.2 Å²	137.2	69%	0.692	73%	0.727	S	S	*	*			cis	-134.6	-135.6	5.2	-150.7	-122.3	-118.2	0	0	110.9	P314	E312-P314 WeakPolarHBondContact OE2-CD 3.36Å
313	I	27.5	Very low	32.8	Very low	147 Å²	147	137.1 Å²	137.1	75%	0.754	73%	0.726	S	S	*	*			trans	-140.2	-112.3	-164.3	-20.8	171.3	0	0	0	117.1
314	P	55	Low	32.4	Very low	95 Å²	95	135.9 Å²	135.9	62%	0.617	72%	0.723	S	S	*	*				-116	-146.1	-109	42.8	-29.1	0	0	0	113.8	E312	E312-P314 WeakPolarHBondContact OE2-CD 3.36Å
315	P	51.7	Low	31.8	Very low	103 Å²	103	131.7 Å²	131.7	67%	0.669	72%	0.718	S	S	*	*			cis	-143.8	158.7	-10.4	38.1	-17.1	0	0	0	120.5
316	K	32.1	Very low	31.2	Very low	190 Å²	190	131.2 Å²	131.2	83%	0.826	72%	0.718	S	S	*	*			trans	39.9	151.3	133.8	-58.7	177.1	178.9	175.2	0	125.1
317	I	27.6	Very low	30.9	Very low	171 Å²	171	132.8 Å²	132.8	88%	0.877	72%	0.724	S	S	*	*				-171.2	159.9	117.2	-96.6	158	0	0	0	112.9
318	I	27.9	Very low	30.6	Very low	150 Å²	150	133.2 Å²	133.2	77%	0.769	73%	0.729	S	S	*	*			trans	-147.7	137.7	-167.3	-73.8	167.9	0	0	0	110.6
319	P	42	Very low	30.5	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	74%	0.744	S	S	*	*				-145.8	158.4	104.6	35.5	-16.5	0	0	0	114.5
320	K	27.1	Very low	30.3	Very low	180 Å²	180	140.4 Å²	140.4	78%	0.783	75%	0.751	S	S	*	*				69.7	133	50.1	-117.5	-170.6	175.6	-171.2	0	112.5
321	C	24.2	Very low	30	Very low	101 Å²	101	140 Å²	140	68%	0.682	75%	0.752	S	S	*	*			cis	-148.4	-166.8	26.1	-72.6	0	0	0	0	109.5
322	I	26.2	Very low	29.8	Very low	145 Å²	145	142.5 Å²	142.5	74%	0.744	76%	0.76	S	S	*	*			cis	-179.8	156.5	-28.3	-87.5	170.8	0	0	0	104.6
323	S	25.3	Very low	29.9	Very low	85 Å²	85	144.3 Å²	144.3	59%	0.594	77%	0.765	S	S	*	*			cis	-143.1	-162.2	14.6	58.4	0	0	0	0	113.3
324	E	24.9	Very low	30	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	77%	0.773	S	S	*	*			trans	5.9	146.2	149.1	-70.2	126.7	-119.3	0	0	122.1
325	N	24.7	Very low	28.6	Very low	138 Å²	138	147.9 Å²	147.9	74%	0.738	78%	0.779	S	S	*	*			cis	-153.3	164.6	33.6	-132.5	-11.4	0	0	0	116.7
326	E	24.4	Very low	27.5	Very low	164 Å²	164	154.3 Å²	154.3	77%	0.766	79%	0.79	S	S	*	*			trans	41	109.1	159.6	-60.4	-163.5	128.8	0	0	124.2
327	S	25.4	Very low	27.2	Very low	115 Å²	115	151 Å²	151	80%	0.804	79%	0.785	S	S	*	*			trans	52.1	146.3	133.8	84	0	0	0	0	123.7
328	P	26.6	Very low	27.2	Very low	122 Å²	122	151 Å²	151	79%	0.792	78%	0.779	S	S	*	*			trans	-107.8	149.4	-165.5	39.6	-32.2	0	0	0	116.1
329	R	26.6	Very low	27.4	Very low	235 Å²	235	150.9 Å²	150.9	89%	0.887	78%	0.778	S	S	*	*			trans	-95.2	136.4	154	-65.7	-176.7	-177.3	-179.8	1.3	109.6	S331	R329-S331 PolarHBondContact O-N 2.95Å
330	P	27	Very low	26.8	Very low	129 Å²	129	152 Å²	152	84%	0.838	78%	0.778	S	S	*	*			trans	-70.3	119	-179.9	27.9	-33.5	0	0	0	111.1
331	S	26.2	Very low	27.2	Very low	99 Å²	99	154.2 Å²	154.2	69%	0.692	78%	0.782	S	S	*	*			trans	-96	109.3	169.4	41.8	0	0	0	0	109.4	R329 K333	R329-S331 PolarHBondContact O-N 2.95Å; S331-K333 PolarHBondContact O-N 3.46Å
332	Q	27.9	Very low	27.6	Very low	197 Å²	197	157.2 Å²	157.2	92%	0.921	79%	0.79	S	S	*	*			trans	-70.3	97.6	173.7	-75.8	-170.2	-12.4	0	0	110
333	K	27.5	Very low	27.8	Very low	186 Å²	186	159.3 Å²	159.3	81%	0.809	79%	0.794	S	S	*	*			trans	-70.1	133.8	168.9	-67.4	177.1	180	174.8	0	109	S331 S335	S331-K333 PolarHBondContact O-N 3.46Å; K333-S335 PolarHBondContact O-N 3.44Å
334	K	29.8	Very low	28.1	Very low	210 Å²	210	160.7 Å²	160.7	91%	0.913	80%	0.804	S	S	*	*			trans	-58.9	110.3	171.7	-65	-172.3	177.1	-170.5	0	109.5	R336	K334-R336 PolarHBondContact O-N 3.42Å
335	S	26.5	Very low	28.4	Very low	106 Å²	106	156.8 Å²	156.8	74%	0.741	80%	0.799	S	S	*	*			trans	-77	106.1	172	-170.1	0	0	0	0	109	K333 V337	K333-S335 PolarHBondContact O-N 3.44Å; S335-V337 PolarHBondContact O-N 3.06Å
336	R	28.6	Very low	28.9	Very low	238 Å²	238	157.4 Å²	157.4	90%	0.898	81%	0.808	S	S	*	*			trans	-73.9	103.1	165.4	-94.9	-179.1	156.2	173.5	-8.5	107.9	K334 K338	K334-R336 PolarHBondContact O-N 3.42Å; R336-K338 PolarHBondContact O-N 3.36Å; R336-K338 VanDerWaalsContact O-N 3.13Å
337	V	25.6	Very low	29.5	Very low	120 Å²	120	158.1 Å²	158.1	73%	0.727	81%	0.809	S	S	*	*			trans	-61.4	112.8	167.9	178.9	0	0	0	0	107.9	S335 I339	S335-V337 PolarHBondContact O-N 3.06Å; V337-I339 HydrophobicContact CG1-CG1 4.25Å; V337-I339 PolarHBondContact O-N 3.05Å
338	K	27.9	Very low	30.1	Very low	172 Å²	172	159.6 Å²	159.6	75%	0.748	80%	0.803	S	S	*	*			trans	-81.2	105.9	171.1	-85.9	-165	169.4	-163	0	109	R336 N340	R336-K338 PolarHBondContact O-N 3.36Å; R336-K338 VanDerWaalsContact O-N 3.13Å; K338-N340 VanDerWaalsContact C-N 3.34Å; K338-N340 PolarHBondContact O-N 2.64Å; K338-N340 VanDerWaalsContact O-N 3.1Å
339	I	30.8	Very low	30.4	Very low	147 Å²	147	158.4 Å²	158.4	75%	0.754	80%	0.795	S	S	*	*			trans	-80.8	85.2	171.2	-54.7	178	0	0	0	108	V337 W341	V337-I339 HydrophobicContact CG1-CG1 4.25Å; V337-I339 PolarHBondContact O-N 3.05Å; I339-W341 VanDerWaalsContact C-N 3.32Å; I339-W341 PolarHBondContact O-N 3.29Å; I339-W341 VanDerWaalsContact O-N 3.11Å
340	N	29	Very low	31.1	Very low	138 Å²	138	148.9 Å²	148.9	74%	0.738	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	71.1	177	-78.6	15	0	0	0	110.9	K338	K338-N340 VanDerWaalsContact C-N 3.34Å; K338-N340 PolarHBondContact O-N 2.64Å; K338-N340 VanDerWaalsContact O-N 3.1Å
341	W	37.2	Very low	32.1	Very low	227 Å²	227	145.4 Å²	145.4	86%	0.86	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-25.2	171.1	-162.3	-89.5	0	0	0	114.4	I339 K343	I339-W341 VanDerWaalsContact C-N 3.32Å; I339-W341 PolarHBondContact O-N 3.29Å; I339-W341 VanDerWaalsContact O-N 3.11Å; W341-K343 PolarHBondContact O-N 3.43Å; W341-K343 VanDerWaalsContact O-N 3.1Å
342	L	31.1	Very low	33	Very low	164 Å²	164	141 Å²	141	86%	0.859	71%	0.707	S	S	*	*			trans	-73.4	106.1	175.4	-70.1	167.7	0	0	0	110.4
343	K	31.8	Very low	33.6	Very low	189 Å²	189	134.2 Å²	134.2	82%	0.822	68%	0.681	S	S	*	*			trans	-98.8	147.8	152.4	-75.4	-177.9	177.2	178	0	108	W341 A345	W341-K343 PolarHBondContact O-N 3.43Å; W341-K343 VanDerWaalsContact O-N 3.1Å; K343-A345 PolarHBondContact O-N 3.39Å
344	S	30.7	Very low	34.1	Very low	115 Å²	115	134.4 Å²	134.4	80%	0.804	68%	0.682	S	S	*	*			trans	-69.8	125.9	173.9	43.5	0	0	0	0	111.6
345	A	30.8	Very low	34.8	Very low	81 Å²	81	129.7 Å²	129.7	67%	0.669	66%	0.662	S	S	*	*			trans	-123.8	116.8	166	0	0	0	0	0	108	K343 K347	K343-A345 PolarHBondContact O-N 3.39Å; A345-K347 PolarHBondContact O-N 3.38Å
346	T	35	Very low	35.2	Very low	152 Å²	152	129.3 Å²	129.3	93%	0.933	66%	0.658	S	S	*	*	S	Bend	trans	-80.5	28.6	179.4	44.5	0	0	0	0	113
347	K	37.8	Very low	35.7	Very low	178 Å²	178	123.3 Å²	123.3	77%	0.774	65%	0.652	S	S	*	*	S	Bend	trans	-140.9	137	173.1	-64.4	-173.6	177.2	-173.4	0	106.7	A345	A345-K347 PolarHBondContact O-N 3.38Å
348	Q	37.7	Very low	35.9	Very low	146 Å²	146	125.8 Å²	125.8	68%	0.682	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-59.5	133.1	166.6	-71.9	-164.6	-2.9	0	0	108.3
349	P	32.8	Very low	35.9	Very low	98 Å²	98	120.8 Å²	120.8	64%	0.636	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-65.2	140.8	174	30	-34.8	0	0	0	108.5
350	S	41.8	Very low	35.8	Very low	34 Å²	34	123.8 Å²	123.8	24%	0.238	67%	0.666	C	S	.	*	P	Polyproline II helix	trans	-48.1	144.7	177.5	167.4	0	0	0	0	111	L352 S353 E496	S350-L352 PolarHBondContact O-N 2.79Å; S350-L352 PolarHBondContact OG-N 2.85Å; S350-L352 VanDerWaalsContact OG-N 3.11Å; S350-S353 WeakPolarHBondContact O-CB 3.36Å; S350-S353 PolarHBondContact O-N 3.45Å; S350-S353 PolarHBondContact O-OG 2.78Å; S350-E496 VanDerWaalsContact CB-CD 3.41Å; S350-E496 WeakPolarHBondContact CB-OE1 3.35Å; S350-E496 WeakPolarHBondContact CB-OE2 3.4Å; S350-E496 PolarHBondContact OG-OE1 2.8Å; S350-E496 PolarHBondContact OG-OE2 2.74Å
351	I	47	Very low	35.9	Very low	56 Å²	56	123.8 Å²	123.8	29%	0.287	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-49.6	-35.1	172	-171.8	178.4	0	0	0	111.1	S353 F355 F492	I351-S353 VanDerWaalsContact C-N 3.28Å; I351-S353 PolarHBondContact O-N 3.24Å; I351-F355 VanDerWaalsContact O-CE2 3.31Å; I351-F355 WeakPolarHBondContact O-CE2 3.25Å; I351-F492 HydrophobicContact CD1-CD2 3.72Å; I351-F492 HydrophobicContact CD1-CE2 3.81Å
352	L	46.1	Very low	35.4	Very low	8 Å²	8	119.3 Å²	119.3	4%	0.042	66%	0.662	C	S	.	*	G	3₁₀ helix	trans	-80.6	1.8	-178.2	-52.1	179.5	0	0	0	114.4	S350 F355 L436 R517 L519	S350-L352 PolarHBondContact O-N 2.79Å; S350-L352 PolarHBondContact OG-N 2.85Å; S350-L352 VanDerWaalsContact OG-N 3.11Å; L352-F355 HydrophobicContact CD2-CE2 4.46Å; L352-L436 HydrophobicContact CD1-CD1 4.3Å; L352-L436 HydrophobicContact CD2-CD1 4.25Å; L352-R517 VanDerWaalsContact CB-NH2 3.3Å; L352-R517 HydrophobicContact CD1-CG 3.88Å; L352-R517 PolarHBondContact O-NH1 3.43Å; L352-R517 PolarHBondContact O-NH2 3.07Å; L352-L519 HydrophobicContact CD2-CD1 3.74Å; L352-L519 HydrophobicContact CD2-CD2 4.34Å; L352-L519 HydrophobicContact CD2-CG 3.93Å
353	S	39.2	Very low	35.2	Very low	53 Å²	53	117.2 Å²	117.2	37%	0.371	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-73.6	-31.3	176.2	62.5	0	0	0	0	113.3	S350 I351 F355	S350-S353 WeakPolarHBondContact O-CB 3.36Å; S350-S353 PolarHBondContact O-N 3.45Å; S350-S353 PolarHBondContact O-OG 2.78Å; I351-S353 VanDerWaalsContact C-N 3.28Å; I351-S353 PolarHBondContact O-N 3.24Å; S353-F355 VanDerWaalsContact C-N 3.27Å; S353-F355 PolarHBondContact O-N 3.12Å
354	K	38	Very low	35.1	Very low	191 Å²	191	115.8 Å²	115.8	83%	0.83	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-11.5	-176.7	-69	-171.6	177.5	-175.8	0	114.5	C356	K354-C356 PolarHBondContact O-N 3.31Å
355	F	45.5	Very low	34.9	Very low	110 Å²	110	119.4 Å²	119.4	48%	0.482	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-10.9	-170.1	-70.7	-102.2	0	0	0	113.9	I351 L352 S353 S357	I351-F355 VanDerWaalsContact O-CE2 3.31Å; I351-F355 WeakPolarHBondContact O-CE2 3.25Å; L352-F355 HydrophobicContact CD2-CE2 4.46Å; S353-F355 VanDerWaalsContact C-N 3.27Å; S353-F355 PolarHBondContact O-N 3.12Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 3.31Å
356	C	34.5	Very low	34.7	Very low	98 Å²	98	119.2 Å²	119.2	66%	0.662	67%	0.668	S	S	*	*	S	Bend	trans	-83	47.4	-172.7	-65.7	0	0	0	0	115.1	K354	K354-C356 PolarHBondContact O-N 3.31Å
357	S	39.2	Very low	34.3	Very low	112 Å²	112	116.9 Å²	116.9	78%	0.783	66%	0.664	S	S	*	*			trans	-169.8	62.2	164.4	-86.7	0	0	0	0	116.5	F355	F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 3.31Å
358	L	30.1	Very low	33.7	Very low	172 Å²	172	118.4 Å²	118.4	90%	0.901	67%	0.67	S	S	*	*			trans	-139	139.4	149.5	-75.8	-178.2	0	0	0	109.2
359	G	28.3	Very low	33.2	Very low	67 Å²	67	115 Å²	115	69%	0.691	68%	0.675	S	S	*	*			trans	-134.5	-167.3	-160.5	0	0	0	0	0	116.7
360	K	28.5	Very low	32.8	Very low	210 Å²	210	119.6 Å²	119.6	91%	0.913	69%	0.688	S	S	*	*			trans	81.3	133.5	-168.4	-56.5	176.1	-178.3	173	0	113.4
361	I	31.9	Very low	32	Very low	138 Å²	138	123.7 Å²	123.7	71%	0.708	72%	0.717	S	S	*	*			trans	-121.7	131.3	-172.1	-45.7	171.4	0	0	0	107.8	T363	I361-T363 HydrophobicContact CG2-CG2 3.8Å
362	T	26.5	Very low	31.1	Very low	134 Å²	134	130.4 Å²	130.4	82%	0.822	74%	0.744	S	S	*	*			trans	-111.6	92.6	167.4	49.4	0	0	0	0	109.1	N364	T362-N364 PolarHBondContact O-N 3.41Å
363	T	27	Very low	30	Very low	119 Å²	119	138.7 Å²	138.7	73%	0.73	78%	0.782	S	S	*	*			trans	-77.7	106.6	178.8	48.9	0	0	0	0	111.3	I361	I361-T363 HydrophobicContact CG2-CG2 3.8Å
364	N	28.9	Very low	29.3	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-92.6	116.1	165.1	-74	-20.9	0	0	0	109.2	T362 G366	T362-N364 PolarHBondContact O-N 3.41Å; N364-G366 PolarHBondContact O-N 3.43Å
365	Q	27.3	Very low	28.6	Very low	192 Å²	192	143.6 Å²	143.6	90%	0.897	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-75.2	118.9	175.9	-82.1	-177.4	-17.2	0	0	110.9
366	G	26.3	Very low	27.6	Very low	77 Å²	77	149.3 Å²	149.3	79%	0.794	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-71.7	134	169.4	0	0	0	0	0	111.7	N364	N364-G366 PolarHBondContact O-N 3.43Å
367	A	25.1	Very low	27.1	Very low	103 Å²	103	151.3 Å²	151.3	85%	0.851	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-74.6	143.8	176.3	0	0	0	0	0	111.7	G369	A367-G369 PolarHBondContact O-N 3.28Å
368	K	27	Very low	27.1	Very low	209 Å²	209	151 Å²	151	91%	0.909	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-75.5	117.6	177.5	-68.5	-177.8	176.9	-177.8	0	111.2
369	G	25.4	Very low	26.9	Very low	76 Å²	76	150.6 Å²	150.6	78%	0.784	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-95.8	124.3	159	0	0	0	0	0	110.1	A367	A367-G369 PolarHBondContact O-N 3.28Å
370	Q	25.1	Very low	26.9	Very low	193 Å²	193	156 Å²	156	90%	0.902	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-96.5	123.6	168.8	-72.6	-178.5	-35.9	0	0	109.5
371	S	26.1	Very low	26.6	Very low	120 Å²	120	153.5 Å²	153.5	84%	0.839	82%	0.824	S	S	*	*			trans	-112.1	144.2	156	44.3	0	0	0	0	108.3
372	K	26.6	Very low	26.4	Very low	198 Å²	198	154.7 Å²	154.7	86%	0.861	83%	0.832	S	S	*	*			trans	-98.1	151	179.7	-72	-174.2	175.9	-175.8	0	110.9
373	E	24.5	Very low	26.4	Very low	182 Å²	182	152.1 Å²	152.1	85%	0.85	83%	0.831	S	S	*	*			trans	-59.8	150.8	162.5	-60.5	142.5	148.4	0	0	110.7
374	N	23.3	Very low	26.4	Very low	167 Å²	167	155.2 Å²	155.2	89%	0.893	84%	0.835	S	S	*	*			trans	-151.7	122.5	149	-95.4	-31.3	0	0	0	106.8
375	E	24.4	Very low	26.3	Very low	179 Å²	179	159.1 Å²	159.1	84%	0.836	84%	0.839	S	S	*	*			trans	-104	123	-173.6	169.2	-174.5	-133.6	0	0	108.9
376	Y	24.7	Very low	26.2	Very low	230 Å²	230	157.1 Å²	157.1	90%	0.902	83%	0.83	S	S	*	*			trans	-159.2	111.5	165.2	-90.4	-69.7	0	0	0	111.4
377	D	23.6	Very low	26.3	Very low	140 Å²	140	159.2 Å²	159.2	75%	0.749	82%	0.823	S	S	*	*			trans	-85.3	172.1	147.6	-121.1	-29.3	0	0	0	108
378	P	37.9	Very low	26.3	Very low	105 Å²	105	160.4 Å²	160.4	68%	0.682	82%	0.815	S	S	*	*			cis	-143	158.1	34.7	42.2	-22.6	0	0	0	119.4
379	E	26.5	Very low	26.3	Very low	165 Å²	165	156.7 Å²	156.7	77%	0.771	81%	0.805	S	S	*	*			trans	67.9	144.2	134.1	-74	-179.2	169.3	0	0	124.8
380	E	27.7	Very low	26.3	Very low	179 Å²	179	158.4 Å²	158.4	84%	0.836	80%	0.801	S	S	*	*			trans	42.3	121.4	150.7	-61.5	-165.9	153.8	0	0	123
381	D	23.9	Very low	26.5	Very low	158 Å²	158	154.6 Å²	154.6	85%	0.845	79%	0.791	S	S	*	*				-155	164.6	101	-158.5	2.7	0	0	0	111.7
382	L	27.7	Very low	26.6	Very low	164 Å²	164	158.4 Å²	158.4	86%	0.859	80%	0.795	S	S	*	*			trans	-94.8	140.3	-176.6	-76.1	155.3	0	0	0	112.8
383	G	26	Very low	26.5	Very low	79 Å²	79	153.2 Å²	153.2	81%	0.814	79%	0.789	S	S	*	*			trans	-161.5	67.4	-179.6	0	0	0	0	0	115.9
384	K	27.2	Very low	26.6	Very low	184 Å²	184	150.7 Å²	150.7	80%	0.8	79%	0.79	S	S	*	*			trans	-72.3	140.6	162.5	-71.6	-171.1	176.8	-168	0	110.2
385	Y	25.9	Very low	26.6	Very low	241 Å²	241	146.3 Å²	146.3	95%	0.945	78%	0.784	S	S	*	*				-155.7	156	126.3	-103.3	-68.9	0	0	0	110.2
386	E	26.1	Very low	26.7	Very low	150 Å²	150	147 Å²	147	70%	0.701	78%	0.784	S	S	*	*			trans	-109.8	175.1	-168.5	-54.8	176.5	137	0	0	112.5
387	N	27.2	Very low	26.6	Very low	122 Å²	122	145 Å²	145	65%	0.652	78%	0.783	S	S	*	*			trans	76.1	110.8	148.5	-64	-12.5	0	0	0	119.9
388	D	25.3	Very low	26.8	Very low	128 Å²	128	143.4 Å²	143.4	68%	0.684	78%	0.783	S	S	*	*				114.2	143.2	100.9	-96	-5.3	0	0	0	120.6
389	N	26.8	Very low	26.8	Very low	130 Å²	130	144.8 Å²	144.8	70%	0.695	79%	0.792	S	S	*	*			trans	68.5	147.6	149.5	-74.4	-49.4	0	0	0	119.3
390	T	26.9	Very low	26.6	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.693	79%	0.792	S	S	*	*			cis	-160.4	167.6	-25.9	-117.3	0	0	0	0	109.6
391	T	28.1	Very low	26.6	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.693	79%	0.793	S	S	*	*			trans	-42.8	149.7	-179.5	58.1	0	0	0	0	117.2
392	H	28.5	Very low	26.5	Very low	199 Å²	199	139.2 Å²	139.2	92%	0.921	80%	0.797	S	S	*	*			trans	-146.2	157.7	133.8	-109	-78.9	0	0	0	110.5
393	A	25.5	Very low	26.6	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	80%	0.795	S	S	*	*			trans	-144.3	155	-161.2	0	0	0	0	0	115.6
394	C	24.9	Very low	26.7	Very low	130 Å²	130	139.6 Å²	139.6	88%	0.878	79%	0.79	S	S	*	*			trans	67.6	147.9	153.9	-149.6	0	0	0	0	120
395	G	23.7	Very low	26.7	Very low	74 Å²	74	137 Å²	137	76%	0.763	79%	0.792	S	S	*	*			trans	162.2	102.1	172.6	0	0	0	0	0	113
396	F	26.8	Very low	26.9	Very low	194 Å²	194	131.4 Å²	131.4	85%	0.851	78%	0.782	S	S	*	*			trans	-90	155.6	168.3	-85.8	-103.2	0	0	0	110.5
397	E	22.9	Very low	26.8	Very low	187 Å²	187	132 Å²	132	87%	0.874	79%	0.79	S	S	*	*				178.5	174	119	-99.2	176.1	-164.2	0	0	114.4
398	S	27.4	Very low	27.2	Very low	108 Å²	108	131 Å²	131	76%	0.755	79%	0.789	S	S	*	*			trans	-155.7	165.8	179.4	-81.3	0	0	0	0	106.6
399	P	38.9	Very low	27.5	Very low	133 Å²	133	132.1 Å²	132.1	86%	0.864	79%	0.794	S	S	*	*			cis	-149.9	-167.4	36.5	42.4	-20.3	0	0	0	116.3
400	G	22.4	Very low	27.5	Very low	74 Å²	74	135 Å²	135	76%	0.763	80%	0.804	S	S	*	*			trans	175.9	129	164.5	0	0	0	0	0	114.5
401	N	26.4	Very low	27.8	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	81%	0.813	S	S	*	*			trans	-101.7	150.6	-174.1	-72.3	-18.2	0	0	0	114.1
402	T	23	Very low	27.7	Very low	150 Å²	150	140 Å²	140	92%	0.92	82%	0.818	S	S	*	*			trans	-147	161.1	151.6	-22.9	0	0	0	0	110.7
403	V	29.4	Very low	27.8	Very low	136 Å²	136	136 Å²	136	82%	0.824	81%	0.81	S	S	*	*			trans	-101.5	159.8	-163.8	176.7	0	0	0	0	113.6
404	T	27.5	Very low	28.3	Very low	115 Å²	115	138 Å²	138	71%	0.706	81%	0.807	S	S	*	*			trans	-72.4	173.4	-174.4	56.3	0	0	0	0	115.3
405	P	26.6	Very low	28.7	Very low	130 Å²	130	136.6 Å²	136.6	84%	0.844	79%	0.79	S	S	*	*				-123.9	171.6	110	37.4	-34.7	0	0	0	114.1
406	V	30.3	Very low	29.5	Very low	123 Å²	123	141.6 Å²	141.6	75%	0.745	79%	0.791	S	S	*	*			trans	-92.2	147.2	-170.2	175.7	0	0	0	0	112.6	V408	V406-V408 HydrophobicContact CG1-CG2 4.25Å
407	N	25	Very low	30	Very low	162 Å²	162	135.2 Å²	135.2	87%	0.866	78%	0.78	S	S	*	*			trans	-137.3	164.5	148.6	-159.4	7.9	0	0	0	110.3
408	V	34.3	Very low	30.9	Very low	102 Å²	102	131.6 Å²	131.6	62%	0.618	76%	0.763	S	S	*	*			trans	-118	155.2	-162.2	178.5	0	0	0	0	111.6	V406	V406-V408 HydrophobicContact CG1-CG2 4.25Å
409	N	32.7	Very low	31.7	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	74%	0.74	S	S	*	*			trans	72.1	88.9	177.3	-61.4	-28.1	0	0	0	117.2
410	E	27.3	Very low	32.2	Very low	191 Å²	191	128 Å²	128	89%	0.893	72%	0.723	S	S	*	*			trans	-122.3	118.1	144	-76.3	-164.9	143.4	0	0	109.7	K412	E410-K412 PolarHBondContact O-N 3.18Å
411	V	32.8	Very low	33.8	Very low	145 Å²	145	128.2 Å²	128.2	88%	0.879	71%	0.705	S	S	*	*			trans	-78.8	113.4	166.9	176.2	0	0	0	0	107
412	K	26	Very low	35.4	Very low	185 Å²	185	120.5 Å²	120.5	80%	0.804	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-62.3	138.4	177.6	-72.4	-173.4	176.2	-177.3	0	110.6	E410	E410-K412 PolarHBondContact O-N 3.18Å
413	P	29.6	Very low	38	Very low	116 Å²	116	114.1 Å²	114.1	75%	0.753	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-66.2	146.7	175.7	28.8	-34.8	0	0	0	111
414	I	36.1	Very low	40.7	Very low	130 Å²	130	110.1 Å²	110.1	67%	0.667	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-69.4	136.9	-179.2	-62.5	172	0	0	0	110.5	K416 E419	I414-K416 PolarHBondContact O-N 3.47Å; I414-E419 WeakPolarHBondContact CG2-OE2 3.2Å
415	N	34.4	Very low	43.8	Very low	100 Å²	100	104.9 Å²	104.9	54%	0.535	56%	0.564	S	S	.	*			trans	-70.7	85.8	-179.5	-76.3	-14.4	0	0	0	112.2	G417 E418	N415-G417 PolarHBondContact O-N 2.91Å; N415-E418 HydrophobicContact CB-CB 4.47Å; N415-E418 HydrophobicContact CB-CG 4.24Å; N415-E418 WeakPolarHBondContact CB-OE2 3.43Å; N415-E418 PolarHBondContact ND2-OE2 3.26Å; N415-E418 PolarHBondContact O-N 3.19Å
416	K	39.2	Very low	47	Very low	180 Å²	180	98.8 Å²	98.8	78%	0.783	52%	0.524	S	S	*	.	H	α-helix	trans	-55.5	-16.7	176	-68.2	-169.5	173.8	-170.9	0	115.3	I414	I414-K416 PolarHBondContact O-N 3.47Å
417	G	37.1	Very low	49.9	Very low	59 Å²	59	96.7 Å²	96.7	61%	0.608	51%	0.506	S	S	*	.	H	α-helix	trans	-77.7	-22.6	176.5	0	0	0	0	0	114.6	N415	N415-G417 PolarHBondContact O-N 2.91Å
418	E	43.4	Very low	53.1	Low	112 Å²	112	93.8 Å²	93.8	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-90.5	-42.1	-177.5	-66.7	173.4	135	0	0	111	N415 Q420 I421	N415-E418 HydrophobicContact CB-CB 4.47Å; N415-E418 HydrophobicContact CB-CG 4.24Å; N415-E418 WeakPolarHBondContact CB-OE2 3.43Å; N415-E418 PolarHBondContact ND2-OE2 3.26Å; N415-E418 PolarHBondContact O-N 3.19Å; E418-Q420 VanDerWaalsContact C-N 3.27Å; E418-Q420 PolarHBondContact O-N 3.02Å; E418-I421 WeakPolarHBondContact O-CB 3.22Å; E418-I421 PolarHBondContact O-N 3.42Å; E418-I421 VanDerWaalsContact O-N 3.1Å
419	E	44	Very low	55.9	Low	60 Å²	60	89.7 Å²	89.7	28%	0.28	46%	0.461	S	S	.	.	H	α-helix	trans	-61.6	-32.7	-178.5	-65.3	-170	116.5	0	0	113.1	R118 I414 I421 F423	R118-E419 IonicContact NH1-OE1 3.15Å; R118-E419 IonicContact NH2-OE1 2.66Å; I414-E419 WeakPolarHBondContact CG2-OE2 3.2Å; E419-I421 VanDerWaalsContact C-N 3.25Å; E419-I421 PolarHBondContact O-N 3.33Å; E419-F423 WeakPolarHBondContact O-CD2 3.37Å; E419-F423 WeakPolarHBondContact O-CE2 3.18Å
420	Q	49	Very low	59	Low	105 Å²	105	82.6 Å²	82.6	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-60	-32.6	176.7	-165.2	75.5	37.8	0	0	112.8	E418 G422 E424	E418-Q420 VanDerWaalsContact C-N 3.27Å; E418-Q420 PolarHBondContact O-N 3.02Å; Q420-G422 PolarHBondContact O-N 2.91Å; Q420-E424 PolarHBondContact NE2-OE1 2.87Å
421	I	55	Low	62.2	Low	78 Å²	78	74.3 Å²	74.3	40%	0.4	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-38.2	-169.8	-59.7	175.1	0	0	0	111.6	E418 E419 E424 L425	E418-I421 WeakPolarHBondContact O-CB 3.22Å; E418-I421 PolarHBondContact O-N 3.42Å; E418-I421 VanDerWaalsContact O-N 3.1Å; E419-I421 VanDerWaalsContact C-N 3.25Å; E419-I421 PolarHBondContact O-N 3.33Å; I421-E424 PolarHBondContact O-N 3.21Å; I421-L425 PolarHBondContact O-N 2.86Å
422	G	60.9	Low	65.2	Low	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-45	-176.3	0	0	0	0	0	113.3	L112 Q420 E424 L425	L112-G422 WeakPolarHBondContact CD2-O 3.47Å; Q420-G422 PolarHBondContact O-N 2.91Å; G422-E424 PolarHBondContact O-N 3.33Å; G422-L425 PolarHBondContact O-N 3.32Å
423	F	78.1	Confident	68.5	Low	16 Å²	16	60.8 Å²	60.8	7%	0.07	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10	179.7	-55.5	-82.7	0	0	0	113.7	I115 C215 L218 K219 E222 E419	I115-F423 HydrophobicContact CD1-CD1 4.21Å; I115-F423 HydrophobicContact CD1-CD2 4.43Å; I115-F423 HydrophobicContact CD1-CE1 3.79Å; I115-F423 HydrophobicContact CD1-CE2 4.02Å; I115-F423 HydrophobicContact CD1-CZ 3.69Å; I115-F423 HydrophobicContact CG1-CZ 4.39Å; I115-F423 HydrophobicContact CG2-CE1 4.35Å; C215-F423 WeakPolarHBondContact CB-O 3.49Å; L218-F423 HydrophobicContact CB-CD1 3.94Å; L218-F423 HydrophobicContact CB-CE1 3.85Å; K219-F423 HydrophobicContact CD-CB 4.28Å; K219-F423 WeakPolarHBondContact CE-O 3.47Å; K219-F423 HydrophobicContact CG-CB 3.73Å; K219-F423 HydrophobicContact CG-CD1 4.13Å; K219-F423 HydrophobicContact CG-CG 4.19Å; E222-F423 WeakPolarHBondContact OE2-CZ 3.39Å; E419-F423 WeakPolarHBondContact O-CD2 3.37Å; E419-F423 WeakPolarHBondContact O-CE2 3.18Å
424	E	84.8	Confident	71.7	Confident	52 Å²	52	56.2 Å²	56.2	24%	0.243	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	15.9	-175.4	-76.7	169.4	-165	0	0	112.3	K219 Q420 I421 G422 V426 E427 K428	K219-E424 IonicContact NZ-OE1 2.7Å; K219-E424 PolarHBondContact NZ-OE1 3.38Å; Q420-E424 PolarHBondContact NE2-OE1 2.87Å; I421-E424 PolarHBondContact O-N 3.21Å; G422-E424 PolarHBondContact O-N 3.33Å; E424-V426 PolarHBondContact O-N 2.77Å; E424-E427 HydrophobicContact CB-CB 4.35Å; E424-E427 HydrophobicContact CG-CB 4.49Å; E424-E427 CarbonylContact O-C 3.52Å; E424-E427 PolarHBondContact O-N 2.83Å; E424-E427 VanDerWaalsContact O-N 3.12Å; E424-K428 WeakPolarHBondContact O-CB 3.32Å; E424-K428 PolarHBondContact O-N 2.92Å
425	L	92.1	Very high	74.6	Confident	6 Å²	6	50 Å²	50	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-49.3	-56.1	-174.2	-178.8	53.8	0	0	0	113.7	V109 L112 I211 I421 G422 L429	V109-L425 HydrophobicContact CG2-CD2 4.12Å; L112-L425 HydrophobicContact CD1-CB 4.3Å; L112-L425 HydrophobicContact CD1-CD2 3.71Å; I211-L425 HydrophobicContact CG2-CD2 4.1Å; I421-L425 PolarHBondContact O-N 2.86Å; G422-L425 PolarHBondContact O-N 3.32Å; L425-L429 HydrophobicContact CD1-CD1 3.52Å; L425-L429 HydrophobicContact CD1-CG 4.1Å; L425-L429 VanDerWaalsContact O-CB 3.29Å; L425-L429 WeakPolarHBondContact O-CB 3.41Å; L425-L429 WeakPolarHBondContact O-CG 3.34Å; L425-L429 PolarHBondContact O-N 3Å
426	V	93.9	Very high	77.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-74.7	-37	179.1	-175.3	0	0	0	0	111.2	L208 I211 Q212 E424 K428 F430 Q431	L208-V426 HydrophobicContact CB-CG1 4.43Å; L208-V426 HydrophobicContact CD2-CG2 4.46Å; I211-V426 HydrophobicContact CB-CG2 3.95Å; I211-V426 HydrophobicContact CG2-CG2 3.63Å; Q212-V426 HydrophobicContact CB-CB 4.15Å; Q212-V426 HydrophobicContact CB-CG1 4.24Å; Q212-V426 HydrophobicContact CB-CG2 4.22Å; Q212-V426 HydrophobicContact CG-CB 4.31Å; Q212-V426 HydrophobicContact CG-CG1 4.41Å; E424-V426 PolarHBondContact O-N 2.77Å; V426-K428 PolarHBondContact O-N 2.96Å; V426-F430 HydrophobicContact CG1-CB 4.42Å; V426-F430 PolarHBondContact O-N 2.86Å; V426-Q431 WeakPolarHBondContact O-CB 3.41Å; V426-Q431 PolarHBondContact O-N 2.91Å
427	E	92.4	Very high	80.2	Confident	80 Å²	80	41.8 Å²	41.8	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-28.5	-178.7	-170.3	173.1	179.2	0	0	113.1	K219 E424 K523	K219-E427 IonicContact NZ-OE2 2.72Å; K219-E427 PolarHBondContact NZ-OE2 2.87Å; E424-E427 HydrophobicContact CB-CB 4.35Å; E424-E427 HydrophobicContact CG-CB 4.49Å; E424-E427 CarbonylContact O-C 3.52Å; E424-E427 PolarHBondContact O-N 2.83Å; E424-E427 VanDerWaalsContact O-N 3.12Å; E427-K523 PolarHBondContact O-NZ 2.78Å
428	K	91.4	Very high	83	Confident	100 Å²	100	39.6 Å²	39.6	44%	0.435	18%	0.184	S	C	.	.	H	α-helix	trans	-94.9	-50.9	177.4	-174.9	178.4	179.7	-179.3	0	112.3	E424 V426 E526	E424-K428 WeakPolarHBondContact O-CB 3.32Å; E424-K428 PolarHBondContact O-N 2.92Å; V426-K428 PolarHBondContact O-N 2.96Å; K428-E526 HydrophobicContact CG-CG 4.43Å; K428-E526 PolarHBondContact O-N 3.02Å
429	L	94.5	Very high	85.6	Confident	17 Å²	17	38.2 Å²	38.2	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-74.4	-43.5	-173.7	-66.8	-173.1	0	0	0	113.2	F105 L425 E526 V527	F105-L429 HydrophobicContact CB-CD1 4.19Å; L425-L429 HydrophobicContact CD1-CD1 3.52Å; L425-L429 HydrophobicContact CD1-CG 4.1Å; L425-L429 VanDerWaalsContact O-CB 3.29Å; L425-L429 WeakPolarHBondContact O-CB 3.41Å; L425-L429 WeakPolarHBondContact O-CG 3.34Å; L425-L429 PolarHBondContact O-N 3Å; L429-E526 HydrophobicContact CD2-CB 4.4Å; L429-E526 PolarHBondContact O-N 3.44Å; L429-V527 WeakPolarHBondContact O-CA 3.44Å; L429-V527 WeakPolarHBondContact O-CB 3.37Å; L429-V527 PolarHBondContact O-N 3.34Å
430	F	96.1	Very high	88.1	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-22.6	-167.6	-58	-78.2	0	0	0	114.6	L99 F105 L208 V426 G432 P525 V527	L99-F430 HydrophobicContact CD2-CZ 3.84Å; F105-F430 HydrophobicContact CD2-CE2 4.1Å; F105-F430 HydrophobicContact CD2-CZ 4.42Å; F105-F430 HydrophobicContact CE2-CE2 4.49Å; L208-F430 HydrophobicContact CD1-CB 4.3Å; L208-F430 HydrophobicContact CD1-CD1 4.23Å; L208-F430 HydrophobicContact CD1-CD2 4.08Å; L208-F430 HydrophobicContact CD1-CE2 4.45Å; L208-F430 HydrophobicContact CD1-CG 3.96Å; L208-F430 HydrophobicContact CD2-CD2 3.67Å; L208-F430 HydrophobicContact CD2-CE2 3.55Å; L208-F430 HydrophobicContact CD2-CG 4.38Å; L208-F430 HydrophobicContact CD2-CZ 4.18Å; V426-F430 HydrophobicContact CG1-CB 4.42Å; V426-F430 PolarHBondContact O-N 2.86Å; F430-G432 PolarHBondContact O-N 3.03Å; F430-P525 VanDerWaalsContact C-CB 3.46Å; F430-P525 WeakPolarHBondContact O-CB 3.1Å; F430-V527 HydrophobicContact CD1-CB 4.19Å; F430-V527 HydrophobicContact CD1-CG1 4.03Å; F430-V527 HydrophobicContact CE1-CB 4.18Å; F430-V527 HydrophobicContact CE1-CG1 3.78Å
431	Q	95.9	Very high	90.4	Very high	17 Å²	17	33.2 Å²	33.2	8%	0.079	15%	0.152	C	C	.	.			trans	-84.7	104.9	-172.4	-169.1	178.4	-25	0	0	113.4	V426 D452 F453 K523	V426-Q431 WeakPolarHBondContact O-CB 3.41Å; V426-Q431 PolarHBondContact O-N 2.91Å; Q431-D452 HydrophobicContact CG-CB 4.06Å; Q431-D452 PolarHBondContact NE2-OD2 3.29Å; Q431-F453 CarbonylContact C-O 3.56Å; Q431-F453 WeakPolarHBondContact CA-O 3.41Å; Q431-K523 PolarHBondContact O-NZ 2.97Å
432	G	95.2	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	178.2	165.3	0	0	0	0	0	112.8	F430 D452 F453 K523	F430-G432 PolarHBondContact O-N 3.03Å; G432-D452 WeakPolarHBondContact O-CA 3.39Å; G432-F453 VanDerWaalsContact C-CD1 3.44Å; G432-F453 VanDerWaalsContact C-CE1 3.49Å; G432-F453 PolarHBondContact N-O 3.07Å; G432-F453 PolarHBondContact O-N 2.74Å; G432-K523 CarbonylContact C-O 3.56Å; G432-K523 WeakPolarHBondContact CA-O 3.46Å
433	Q	96.2	Very high	94	Very high	45 Å²	45	36.8 Å²	36.8	21%	0.21	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.3	171.8	-173.4	168.2	104.9	0	0	111.6	R450 D452 D522 K523	Q433-R450 HydrophobicContact CG-CB 4.27Å; Q433-D452 WeakPolarHBondContact CG-OD1 3.15Å; Q433-D452 PolarHBondContact NE2-OD1 3.46Å; Q433-D522 PolarHBondContact O-N 2.73Å; Q433-K523 HydrophobicContact CB-CB 3.93Å; Q433-K523 PolarHBondContact N-O 2.61Å; Q433-K523 PolarHBondContact O-N 2.9Å
434	L	95.9	Very high	94.9	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	152.9	171.3	-72.6	160.6	0	0	0	111	R450 E451 F453 F492 L519 L520 F521	L434-R450 WeakPolarHBondContact O-CA 3.27Å; L434-E451 PolarHBondContact N-O 3.46Å; L434-E451 PolarHBondContact O-N 2.67Å; L434-E451 VanDerWaalsContact O-N 3.09Å; L434-F453 HydrophobicContact CD1-CB 4.23Å; L434-F453 HydrophobicContact CD1-CD1 4.03Å; L434-F453 HydrophobicContact CD1-CG 4.31Å; L434-F453 HydrophobicContact CG-CD1 3.69Å; L434-F453 HydrophobicContact CG-CE1 4.07Å; L434-F453 HydrophobicContact CG-CG 4.44Å; L434-F492 HydrophobicContact CD1-CZ 4.24Å; L434-F492 HydrophobicContact CD2-CE1 4.19Å; L434-F492 HydrophobicContact CD2-CZ 4.39Å; L434-L519 HydrophobicContact CB-CD2 4.42Å; L434-L519 HydrophobicContact CD1-CD2 4.36Å; L434-L519 HydrophobicContact CD2-CB 4.44Å; L434-L519 HydrophobicContact CD2-CD2 4.44Å; L434-L520 CarbonylContact C-O 3.59Å; L434-L520 WeakPolarHBondContact CA-O 3.44Å; L434-F521 HydrophobicContact CD2-CD1 3.51Å; L434-F521 HydrophobicContact CD2-CE1 3.67Å
435	V	96.4	Very high	95.4	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.3	161.1	169.4	0	0	0	0	108.3	R437 E448 R449 R450 L520 D522 T569	V435-R437 HydrophobicContact CG1-CB 4.45Å; V435-E448 HydrophobicContact CG1-CB 4.12Å; V435-E448 HydrophobicContact CG1-CG 4.16Å; V435-R449 CarbonylContact C-O 2.95Å; V435-R449 WeakPolarHBondContact CA-O 3.48Å; V435-R450 HydrophobicContact CG2-CG 3.84Å; V435-L520 PolarHBondContact N-O 2.74Å; V435-L520 PolarHBondContact O-N 2.88Å; V435-D522 HydrophobicContact CG2-CB 3.85Å; V435-T569 HydrophobicContact CB-CG2 4.1Å; V435-T569 HydrophobicContact CG2-CG2 4.09Å
436	L	95.4	Very high	95.6	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.12	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	111	167.1	-177.3	71.6	0	0	0	108.4	L352 E448 R449 R517 L519	L352-L436 HydrophobicContact CD1-CD1 4.3Å; L352-L436 HydrophobicContact CD2-CD1 4.25Å; L436-E448 WeakPolarHBondContact O-CA 3.33Å; L436-R449 HydrophobicContact CB-CB 4.39Å; L436-R449 PolarHBondContact N-O 3.01Å; L436-R449 PolarHBondContact O-N 2.65Å; L436-R517 HydrophobicContact CD1-CG 3.82Å; L436-L519 HydrophobicContact CB-CD2 4.13Å; L436-L519 HydrophobicContact CD1-CD2 3.63Å; L436-L519 HydrophobicContact CD1-CG 4.25Å
437	R	95.8	Very high	95.6	Very high	84 Å²	84	47.8 Å²	47.8	32%	0.317	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122	-176.4	172	-176.8	-74.3	170.1	0.1	110	V435 L446 T447 E448 R517 S518 L520	V435-R437 HydrophobicContact CG1-CB 4.45Å; R437-L446 HydrophobicContact CG-CD1 3.6Å; R437-L446 HydrophobicContact CG-CD2 4.36Å; R437-L446 HydrophobicContact CG-CG 4.14Å; R437-T447 WeakPolarHBondContact CA-O 3.42Å; R437-E448 HydrophobicContact CB-CG 4.34Å; R437-E448 HydrophobicContact CG-CG 4.36Å; R437-E448 IonicContact CZ-OE1 3.43Å; R437-E448 IonicContact NE-OE1 3.55Å; R437-E448 PolarHBondContact NE-OE1 2.9Å; R437-E448 IonicContact NH2-OE1 3.19Å; R437-E448 PolarHBondContact NH2-OE1 3.1Å; R437-R517 CarbonylContact O-C 3.15Å; R437-R517 WeakPolarHBondContact O-CA 3.41Å; R437-S518 PolarHBondContact N-O 2.82Å; R437-S518 PolarHBondContact O-N 3.14Å; R437-S518 PolarHBondContact O-OG 2.98Å; R437-L520 VanDerWaalsContact NH1-CD1 3.33Å
438	T	96.4	Very high	95.8	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.08	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121	177.5	-54	0	0	0	0	110.8	T447 Y504 A515 E516	T438-T447 PolarHBondContact N-O 2.92Å; T438-T447 PolarHBondContact O-N 3.25Å; T438-T447 PolarHBondContact O-OG1 2.96Å; T438-T447 VanDerWaalsContact O-OG1 3.07Å; T438-Y504 HydrophobicContact CG2-CD1 4.37Å; T438-Y504 HydrophobicContact CG2-CD2 4.32Å; T438-Y504 HydrophobicContact CG2-CE1 4.45Å; T438-Y504 HydrophobicContact CG2-CE2 4.43Å; T438-Y504 HydrophobicContact CG2-CG 4.3Å; T438-A515 HydrophobicContact CG2-CB 3.9Å; T438-E516 CarbonylContact C-O 3.6Å; T438-E516 VanDerWaalsContact CA-O 3.29Å; T438-E516 WeakPolarHBondContact CA-O 3.2Å
439	R	97.1	Very high	95.9	Very high	83 Å²	83	50.6 Å²	50.6	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.6	176.3	175.7	178.2	171.7	-126.6	5.6	109.8	E444 L446 A515 E516	R439-E444 IonicContact CZ-OE1 3.95Å; R439-E444 IonicContact NE-OE1 2.98Å; R439-E444 IonicContact NH2-OE1 2.87Å; R439-E444 PolarHBondContact NH2-OE1 2.84Å; R439-L446 HydrophobicContact CB-CD1 3.82Å; R439-A515 CarbonylContact O-C 3.55Å; R439-A515 WeakPolarHBondContact O-CA 3.02Å; R439-A515 WeakPolarHBondContact O-CB 3.38Å; R439-E516 HydrophobicContact CB-CB 4.43Å; R439-E516 IonicContact CZ-OE2 3.37Å; R439-E516 PolarHBondContact N-O 3.34Å; R439-E516 IonicContact NH1-OE1 3.37Å; R439-E516 IonicContact NH1-OE2 3.57Å; R439-E516 PolarHBondContact NH1-OE2 3.33Å; R439-E516 PolarHBondContact O-N 2.91Å
440	C	97.3	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.6	170.5	177.8	0	0	0	0	110.5	E442 C443 E444 S445 C506 T513	C440-E442 VanDerWaalsContact C-N 3.28Å; C440-E442 PolarHBondContact O-N 3.46Å; C440-E442 PolarHBondContact SG-N 3.14Å; C440-C443 VanDerWaalsContact SG-SG 3.64Å; C440-E444 WeakPolarHBondContact O-CA 3.2Å; C440-E444 PolarHBondContact O-N 3.04Å; C440-E444 VanDerWaalsContact O-N 3.14Å; C440-S445 WeakPolarHBondContact CB-OG 3.41Å; C440-S445 PolarHBondContact N-O 2.96Å; C440-C506 VanDerWaalsContact SG-SG 3.69Å; C440-T513 WeakPolarHBondContact SG-CG2 3.33Å
441	L	96.7	Very high	96	Very high	60 Å²	60	58 Å²	58	31%	0.314	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.7	179.4	-72.1	178.3	0	0	0	114.4	R497 E514 E516	L441-R497 HydrophobicContact CD1-CG 4.19Å; L441-E514 HydrophobicContact CB-CB 4.41Å; L441-E514 WeakPolarHBondContact CB-O 3.08Å; L441-E514 HydrophobicContact CD1-CB 4.02Å; L441-E514 PolarHBondContact N-O 3.19Å; L441-E516 HydrophobicContact CD1-CG 4.38Å; L441-E516 HydrophobicContact CD2-CG 3.88Å; L441-E516 HydrophobicContact CG-CG 4.32Å
442	E	96.3	Very high	96	Very high	105 Å²	105	61.6 Å²	61.6	49%	0.491	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-44.4	-175.8	-178	-174.1	-174.5	0	0	113.2	C440 C509 H511 T513	C440-E442 VanDerWaalsContact C-N 3.28Å; C440-E442 PolarHBondContact O-N 3.46Å; C440-E442 PolarHBondContact SG-N 3.14Å; E442-C509 PolarHBondContact OE2-SG 2.88Å; E442-H511 IonicContact OE1-CE1 3.14Å; E442-H511 PolarHBondContact OE1-CE1 2.92Å; E442-H511 VanDerWaalsContact OE1-CE1 3.28Å; E442-H511 IonicContact OE1-NE2 3.47Å; E442-H511 IonicContact OE2-CE1 2.95Å; E442-H511 PolarHBondContact OE2-CE1 3.06Å; E442-H511 IonicContact OE2-NE2 3.57Å; E442-H511 PolarHBondContact OE2-NE2 2.98Å; E442-T513 WeakPolarHBondContact OE2-CB 3.42Å; E442-T513 PolarHBondContact OE2-OG1 3.32Å
443	C	96.5	Very high	96	Very high	47 Å²	47	62.6 Å²	62.6	32%	0.318	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	9.5	176.5	69	0	0	0	0	113.6	C440 S445 N508 C509	C440-C443 VanDerWaalsContact SG-SG 3.64Å; C443-S445 PolarHBondContact O-N 3.38Å; C443-S445 PolarHBondContact SG-OG 2.99Å; C443-N508 PolarHBondContact SG-ND2 2.98Å; C443-C509 PolarHBondContact SG-SG 3.19Å
444	E	96.6	Very high	96	Very high	128 Å²	128	61.6 Å²	61.6	60%	0.598	29%	0.29	S	S	*	.			trans	59	4.6	178.2	-50.5	-157.3	101.5	0	0	116.1	R439 C440 L446	R439-E444 IonicContact CZ-OE1 3.95Å; R439-E444 IonicContact NE-OE1 2.98Å; R439-E444 IonicContact NH2-OE1 2.87Å; R439-E444 PolarHBondContact NH2-OE1 2.84Å; C440-E444 WeakPolarHBondContact O-CA 3.2Å; C440-E444 PolarHBondContact O-N 3.04Å; C440-E444 VanDerWaalsContact O-N 3.14Å; E444-L446 PolarHBondContact O-N 3.41Å
445	S	95.5	Very high	96	Very high	30 Å²	30	62 Å²	62	21%	0.21	29%	0.292	C	S	.	.			trans	-57.3	122.1	-178.5	68.5	0	0	0	0	111.3	C440 C443	C440-S445 WeakPolarHBondContact CB-OG 3.41Å; C440-S445 PolarHBondContact N-O 2.96Å; C443-S445 PolarHBondContact O-N 3.38Å; C443-S445 PolarHBondContact SG-OG 2.99Å
446	L	95.3	Very high	95.9	Very high	94 Å²	94	61.9 Å²	61.9	49%	0.492	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.1	174.5	-159.3	69.3	0	0	0	110.3	R437 R439 E444	R437-L446 HydrophobicContact CG-CD1 3.6Å; R437-L446 HydrophobicContact CG-CD2 4.36Å; R437-L446 HydrophobicContact CG-CG 4.14Å; R439-L446 HydrophobicContact CB-CD1 3.82Å; E444-L446 PolarHBondContact O-N 3.41Å
447	T	94.8	Very high	95.9	Very high	54 Å²	54	61.8 Å²	61.8	33%	0.331	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.6	169.9	55.1	0	0	0	0	109.1	R437 T438	R437-T447 WeakPolarHBondContact CA-O 3.42Å; T438-T447 PolarHBondContact N-O 2.92Å; T438-T447 PolarHBondContact O-N 3.25Å; T438-T447 PolarHBondContact O-OG1 2.96Å; T438-T447 VanDerWaalsContact O-OG1 3.07Å
448	E	95.8	Very high	95.8	Very high	99 Å²	99	57.8 Å²	57.8	46%	0.463	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.3	179.5	-65.4	-165.4	155.9	0	0	110.5	V435 L436 R437	V435-E448 HydrophobicContact CG1-CB 4.12Å; V435-E448 HydrophobicContact CG1-CG 4.16Å; L436-E448 WeakPolarHBondContact O-CA 3.33Å; R437-E448 HydrophobicContact CB-CG 4.34Å; R437-E448 HydrophobicContact CG-CG 4.36Å; R437-E448 IonicContact CZ-OE1 3.43Å; R437-E448 IonicContact NE-OE1 3.55Å; R437-E448 PolarHBondContact NE-OE1 2.9Å; R437-E448 IonicContact NH2-OE1 3.19Å; R437-E448 PolarHBondContact NH2-OE1 3.1Å
449	R	95.1	Very high	95.5	Very high	140 Å²	140	58.6 Å²	58.6	53%	0.528	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.9	178.1	-173.8	179.1	-173.2	83.6	2.5	108.9	V435 L436 E451	V435-R449 CarbonylContact C-O 2.95Å; V435-R449 WeakPolarHBondContact CA-O 3.48Å; L436-R449 HydrophobicContact CB-CB 4.39Å; L436-R449 PolarHBondContact N-O 3.01Å; L436-R449 PolarHBondContact O-N 2.65Å; R449-E451 WeakPolarHBondContact CD-OE1 3.33Å; R449-E451 HydrophobicContact CG-CG 4.15Å; R449-E451 IonicContact CZ-OE1 3.95Å; R449-E451 IonicContact NE-OE1 3.51Å; R449-E451 PolarHBondContact NE-OE1 3.47Å
450	R	96.5	Very high	95	Very high	123 Å²	123	55 Å²	55	46%	0.464	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.4	178.9	-77.5	164.2	176.6	-83.9	-10.9	109.8	Q433 L434 V435 D522	Q433-R450 HydrophobicContact CG-CB 4.27Å; L434-R450 WeakPolarHBondContact O-CA 3.27Å; V435-R450 HydrophobicContact CG2-CG 3.84Å; R450-D522 IonicContact CZ-OD1 2.81Å; R450-D522 IonicContact CZ-OD2 3.71Å; R450-D522 IonicContact NH1-OD1 3.73Å; R450-D522 IonicContact NH1-OD2 2.67Å; R450-D522 PolarHBondContact NH1-OD2 3.34Å; R450-D522 IonicContact NH2-OD1 3.98Å; R450-D522 PolarHBondContact NH2-OD1 3.3Å; R450-D522 IonicContact NH2-OD2 3.81Å; R450-D522 PolarHBondContact NH2-OD2 3.15Å
451	E	95.2	Very high	94.1	Very high	53 Å²	53	59.4 Å²	59.4	25%	0.248	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.2	-177.2	-58.6	-167.8	157.3	0	0	108.9	L434 R449	L434-E451 PolarHBondContact N-O 3.46Å; L434-E451 PolarHBondContact O-N 2.67Å; L434-E451 VanDerWaalsContact O-N 3.09Å; R449-E451 WeakPolarHBondContact CD-OE1 3.33Å; R449-E451 HydrophobicContact CG-CG 4.15Å; R449-E451 IonicContact CZ-OE1 3.95Å; R449-E451 IonicContact NE-OE1 3.51Å; R449-E451 PolarHBondContact NE-OE1 3.47Å
452	D	95.9	Very high	92.7	Very high	92 Å²	92	61.7 Å²	61.7	49%	0.492	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	150.7	-177.2	-63.4	-23.2	0	0	0	111.1	Q431 G432 Q433	Q431-D452 HydrophobicContact CG-CB 4.06Å; Q431-D452 PolarHBondContact NE2-OD2 3.29Å; G432-D452 WeakPolarHBondContact O-CA 3.39Å; Q433-D452 WeakPolarHBondContact CG-OD1 3.15Å; Q433-D452 PolarHBondContact NE2-OD1 3.46Å
453	F	95.3	Very high	91.2	Very high	20 Å²	20	59.4 Å²	59.4	9%	0.088	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.9	-178.6	75.4	-88.5	0	0	0	112.4	Q431 G432 L434 I456 F521 M524	Q431-F453 CarbonylContact C-O 3.56Å; Q431-F453 WeakPolarHBondContact CA-O 3.41Å; G432-F453 VanDerWaalsContact C-CD1 3.44Å; G432-F453 VanDerWaalsContact C-CE1 3.49Å; G432-F453 PolarHBondContact N-O 3.07Å; G432-F453 PolarHBondContact O-N 2.74Å; L434-F453 HydrophobicContact CD1-CB 4.23Å; L434-F453 HydrophobicContact CD1-CD1 4.03Å; L434-F453 HydrophobicContact CD1-CG 4.31Å; L434-F453 HydrophobicContact CG-CD1 3.69Å; L434-F453 HydrophobicContact CG-CE1 4.07Å; L434-F453 HydrophobicContact CG-CG 4.44Å; F453-I456 HydrophobicContact CD2-CG1 4.1Å; F453-I456 HydrophobicContact CE2-CD1 4.05Å; F453-I456 HydrophobicContact CE2-CG1 3.57Å; F453-I456 HydrophobicContact CZ-CD1 4.37Å; F453-I456 HydrophobicContact CZ-CG1 4.29Å; F453-F521 HydrophobicContact CE1-CD1 4.32Å; F453-F521 HydrophobicContact CZ-CD1 4.32Å; F453-F521 HydrophobicContact CZ-CE1 4.42Å; F453-M524 HydrophobicContact CE1-CE 3.83Å; F453-M524 HydrophobicContact CZ-CE 3.58Å
454	Q	95.4	Very high	89.1	Confident	24 Å²	24	65.9 Å²	65.9	11%	0.112	32%	0.317	C	S	.	.	S	Bend	trans	-113.3	-22.1	173.5	-60.5	-174.3	12.5	0	0	112.9	Q212	Q212-Q454 VanDerWaalsContact OE1-NE2 3.07Å
455	D	95.8	Very high	86.7	Confident	28 Å²	28	67.2 Å²	67.2	15%	0.15	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.1	174.5	76.6	-56.2	0	0	0	112.4	Q201 Q205 S457 T529	Q201-D455 PolarHBondContact NE2-OD2 3.02Å; Q205-D455 PolarHBondContact NE2-OD1 3.38Å; D455-S457 PolarHBondContact OD2-OG 3.25Å; D455-T529 CarbonylContact C-O 3.54Å; D455-T529 WeakPolarHBondContact CA-O 3.18Å; D455-T529 HydrophobicContact CB-CG2 4.17Å
456	I	95.8	Very high	84.1	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	96.3	171	-50.9	177.1	0	0	0	107.7	F453 V458 F492 F521 I528 T529 I530 H531 L564	F453-I456 HydrophobicContact CD2-CG1 4.1Å; F453-I456 HydrophobicContact CE2-CD1 4.05Å; F453-I456 HydrophobicContact CE2-CG1 3.57Å; F453-I456 HydrophobicContact CZ-CD1 4.37Å; F453-I456 HydrophobicContact CZ-CG1 4.29Å; I456-V458 HydrophobicContact CG2-CG1 3.83Å; I456-V458 PolarHBondContact O-N 3.36Å; I456-F492 HydrophobicContact CG2-CD1 4.01Å; I456-F492 HydrophobicContact CG2-CD2 4.22Å; I456-F492 HydrophobicContact CG2-CE1 3.94Å; I456-F492 HydrophobicContact CG2-CE2 4.14Å; I456-F492 HydrophobicContact CG2-CG 4.16Å; I456-F492 HydrophobicContact CG2-CZ 4Å; I456-F521 HydrophobicContact CD1-CE1 3.8Å; I456-F521 HydrophobicContact CD1-CZ 3.82Å; I456-F521 HydrophobicContact CG1-CE1 4.34Å; I456-F521 HydrophobicContact CG2-CZ 4.34Å; I456-I528 HydrophobicContact CD1-CG2 3.71Å; I456-I528 HydrophobicContact CG1-CG2 4.29Å; I456-T529 PolarHBondContact N-O 2.87Å; I456-I530 HydrophobicContact CB-CG1 4.41Å; I456-I530 WeakPolarHBondContact O-CA 3.28Å; I456-I530 VanDerWaalsContact O-CG2 3.29Å; I456-I530 WeakPolarHBondContact O-CG2 3.39Å; I456-H531 PolarHBondContact O-N 3.48Å; I456-L564 HydrophobicContact CD1-CD1 3.9Å
457	S	95.3	Very high	81.5	Confident	21 Å²	21	75 Å²	75	15%	0.147	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	84.5	-176.1	-97.8	0	0	0	0	111.9	D455 H531 K533	D455-S457 PolarHBondContact OD2-OG 3.25Å; S457-H531 CarbonylContact C-O 3.55Å; S457-H531 PolarHBondContact OG-ND1 3.01Å; S457-K533 WeakPolarHBondContact O-CE 3.41Å; S457-K533 PolarHBondContact O-NZ 3.36Å
458	V	93.7	Very high	79	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	150.2	-173.9	-59	0	0	0	0	113.6	I456 A488 I489 F492 I530 H531 L532 K533	I456-V458 HydrophobicContact CG2-CG1 3.83Å; I456-V458 PolarHBondContact O-N 3.36Å; V458-A488 HydrophobicContact CB-CB 4.03Å; V458-A488 HydrophobicContact CG2-CB 3.93Å; V458-I489 HydrophobicContact CG1-CG1 4.04Å; V458-F492 HydrophobicContact CG1-CB 4.11Å; V458-I530 HydrophobicContact CG1-CG2 4.07Å; V458-I530 HydrophobicContact CG2-CG2 3.82Å; V458-H531 PolarHBondContact N-O 2.98Å; V458-L532 HydrophobicContact CG2-CD2 3.49Å; V458-L532 VanDerWaalsContact CG2-CD2 3.49Å; V458-K533 WeakPolarHBondContact O-CB 3.24Å; V458-K533 WeakPolarHBondContact O-CG 3.48Å; V458-K533 PolarHBondContact O-N 3.41Å
459	P	90.6	Very high	76.4	Confident	30 Å²	30	81.3 Å²	81.3	20%	0.195	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.4	176.5	30.4	-34.8	0	0	0	112.2	Q491	P459-Q491 HydrophobicContact CG-CB 3.76Å
460	V	85.1	Confident	74.1	Confident	6 Å²	6	83.8 Å²	83.8	4%	0.036	42%	0.415	C	S	.	.			trans	-106.1	138.4	156.3	-168.5	0	0	0	0	107.2	L532 I552	V460-L532 HydrophobicContact CG2-CB 3.82Å; V460-I552 HydrophobicContact CB-CG2 4.28Å; V460-I552 HydrophobicContact CG1-CG2 3.66Å; V460-I552 WeakPolarHBondContact O-CD1 3.37Å
461	Q	78.4	Confident	71.5	Confident	94 Å²	94	82.4 Å²	82.4	44%	0.439	43%	0.425	S	S	.	.			trans	-118.3	137	174.4	-72.8	176.1	-5.8	0	0	108.3	K483 W487 T554	Q461-K483 PolarHBondContact O-NZ 3.48Å; Q461-W487 HydrophobicContact CB-CH2 4.15Å; Q461-W487 HydrophobicContact CG-CH2 3.96Å; Q461-T554 WeakPolarHBondContact O-CG2 3.45Å
462	E	68.4	Low	68.9	Low	107 Å²	107	85.7 Å²	85.7	50%	0.5	45%	0.453	S	S	.	.			trans	-53.4	145.5	164.6	-69.4	178	-178	0	0	109.8	E464 K483 I552	E462-E464 PolarHBondContact O-N 2.76Å; E462-E464 VanDerWaalsContact O-N 3.12Å; E462-K483 VanDerWaalsContact C-NZ 3.26Å; E462-K483 PolarHBondContact O-NZ 2.89Å; E462-I552 HydrophobicContact CG-CB 4.25Å; E462-I552 HydrophobicContact CG-CD1 4.31Å; E462-I552 HydrophobicContact CG-CG1 3.9Å; E462-I552 HydrophobicContact CG-CG2 3.78Å
463	D	63.8	Low	66.9	Low	58 Å²	58	89.8 Å²	89.8	31%	0.31	47%	0.47	S	S	.	.			trans	-71.5	105.3	167.5	-61.7	-50.3	0	0	0	107.6	L465 K483 T554	D463-L465 PolarHBondContact O-N 2.91Å; D463-K483 WeakPolarHBondContact OD1-CE 3.21Å; D463-K483 IonicContact OD1-NZ 2.67Å; D463-K483 PolarHBondContact OD1-NZ 3.34Å; D463-T554 PolarHBondContact N-OG1 2.76Å; D463-T554 VanDerWaalsContact N-OG1 3.11Å; D463-T554 WeakPolarHBondContact OD2-CG2 3.35Å; D463-T554 PolarHBondContact OD2-OG1 3.49Å
464	E	52.4	Low	64.8	Low	183 Å²	183	96.8 Å²	96.8	86%	0.855	51%	0.506	S	S	*	.			trans	-61.8	86.3	162.2	-69.6	-163.5	162.1	0	0	107.5	E462 S466	E462-E464 PolarHBondContact O-N 2.76Å; E462-E464 VanDerWaalsContact O-N 3.12Å; E464-S466 VanDerWaalsContact C-N 3.27Å; E464-S466 PolarHBondContact O-N 3.19Å
465	L	46.5	Very low	62.8	Low	155 Å²	155	100.4 Å²	100.4	81%	0.812	53%	0.534	S	S	*	.			trans	-51.1	102.4	157.6	-73.5	175.1	0	0	0	105.3	D463 K467	D463-L465 PolarHBondContact O-N 2.91Å; L465-K467 PolarHBondContact O-N 2.9Å
466	S	40.7	Very low	60.7	Low	88 Å²	88	104.7 Å²	104.7	62%	0.615	56%	0.564	S	S	*	*			trans	-51.2	128.7	-164.3	53.7	0	0	0	0	109.3	E464 V468	E464-S466 VanDerWaalsContact C-N 3.27Å; E464-S466 PolarHBondContact O-N 3.19Å; S466-V468 PolarHBondContact O-N 3.39Å
467	K	40.9	Very low	58.2	Low	201 Å²	201	113.1 Å²	113.1	87%	0.874	60%	0.603	S	S	*	*			trans	-63.7	91.7	164.1	-72	175.3	-176.9	165.8	0	106.7	L465 E469	L465-K467 PolarHBondContact O-N 2.9Å; K467-E469 PolarHBondContact O-N 3.28Å
468	V	42.6	Very low	56	Low	117 Å²	117	117.9 Å²	117.9	71%	0.709	63%	0.633	S	S	*	*			trans	-68.9	87.1	172	-178.1	0	0	0	0	106.1	S466 E470	S466-V468 PolarHBondContact O-N 3.39Å; V468-E470 VanDerWaalsContact C-N 3.32Å; V468-E470 PolarHBondContact O-N 2.83Å
469	E	40.6	Very low	53.9	Low	167 Å²	167	127 Å²	127	78%	0.78	67%	0.673	S	S	*	*			trans	-65.3	100.7	161.6	-69.7	-165.4	154.3	0	0	106.7	K467 S471	K467-E469 PolarHBondContact O-N 3.28Å; E469-S471 VanDerWaalsContact C-N 3.26Å; E469-S471 PolarHBondContact O-N 3.08Å; E469-S471 PolarHBondContact O-OG 2.85Å; E469-S471 VanDerWaalsContact O-OG 3.07Å
470	E	46.5	Very low	52.2	Low	192 Å²	192	131 Å²	131	90%	0.897	70%	0.697	S	S	*	*	S	Bend	trans	-58.4	71.7	-169.4	-171.3	176.7	-139.8	0	0	112.9	V468	V468-E470 VanDerWaalsContact C-N 3.32Å; V468-E470 PolarHBondContact O-N 2.83Å
471	S	42	Very low	51.1	Low	94 Å²	94	138.9 Å²	138.9	66%	0.657	73%	0.733	S	S	*	*			trans	-160.5	32.4	-168.4	60.4	0	0	0	0	117.4	E469	E469-S471 VanDerWaalsContact C-N 3.26Å; E469-S471 PolarHBondContact O-N 3.08Å; E469-S471 PolarHBondContact O-OG 2.85Å; E469-S471 VanDerWaalsContact O-OG 3.07Å
472	S	41	Very low	50.5	Low	122 Å²	122	138.8 Å²	138.8	85%	0.853	73%	0.734	S	S	*	*			trans	-159.9	135.3	148.2	-8.6	0	0	0	0	112.8
473	E	55.2	Low	51.1	Low	179 Å²	179	134.9 Å²	134.9	84%	0.836	72%	0.715	S	S	*	*			trans	-87.6	157.1	172.7	-61.9	179.7	137	0	0	111.6
474	I	50.4	Low	52.3	Low	166 Å²	166	134.5 Å²	134.5	85%	0.851	72%	0.715	S	S	*	*			trans	66.6	77.3	168.5	-44.1	120.7	0	0	0	115.3
475	S	53.6	Low	54.1	Low	100 Å²	100	125.8 Å²	125.8	70%	0.699	67%	0.674	S	S	*	*			trans	-139.9	141.8	149.2	-171.9	0	0	0	0	107.7	E477	S475-E477 PolarHBondContact O-N 3.12Å
476	P	52.1	Low	56.2	Low	118 Å²	118	125.8 Å²	125.8	77%	0.766	66%	0.663	S	S	*	*			trans	-61.2	130.8	175.1	26.3	-34.2	0	0	0	109.8
477	E	43.5	Very low	58.6	Low	178 Å²	178	124.6 Å²	124.6	83%	0.832	65%	0.646	S	S	*	*			trans	-53.4	122.1	-171.1	-61.9	166.1	146	0	0	111.3	S475 K479	S475-E477 PolarHBondContact O-N 3.12Å; E477-K479 VanDerWaalsContact C-N 3.33Å; E477-K479 PolarHBondContact O-N 2.75Å
478	P	48.6	Very low	61	Low	120 Å²	120	115 Å²	115	78%	0.779	60%	0.604	S	S	*	*			trans	-68.7	97.3	169.7	28.8	-31.9	0	0	0	107.4	T480	P478-T480 PolarHBondContact O-N 3.25Å; P478-T480 VanDerWaalsContact O-N 3.13Å
479	K	50.3	Low	63.4	Low	193 Å²	193	109.4 Å²	109.4	84%	0.839	57%	0.57	S	S	*	*			trans	-49.7	121.8	173.3	-64	177.6	-178.8	177.8	0	108.2	E477 E481	E477-K479 VanDerWaalsContact C-N 3.33Å; E477-K479 PolarHBondContact O-N 2.75Å; K479-E481 PolarHBondContact O-N 3.23Å
480	T	54.8	Low	65.9	Low	112 Å²	112	103.1 Å²	103.1	69%	0.687	55%	0.545	S	S	*	.			trans	-53.7	105.8	177.4	-48.4	0	0	0	0	109	P478 M482	P478-T480 PolarHBondContact O-N 3.25Å; P478-T480 VanDerWaalsContact O-N 3.13Å; T480-M482 PolarHBondContact O-N 3.34Å; T480-M482 VanDerWaalsContact O-N 3.14Å
481	E	60.3	Low	68	Low	172 Å²	172	97.5 Å²	97.5	80%	0.804	52%	0.518	S	S	*	.			trans	-71.8	112.9	-172.9	-172.6	172	-165.5	0	0	108.9	K479 K483	K479-E481 PolarHBondContact O-N 3.23Å; E481-K483 PolarHBondContact O-N 2.82Å; E481-K483 VanDerWaalsContact O-N 3.08Å
482	M	66.7	Low	70.4	Confident	92 Å²	92	93.9 Å²	93.9	45%	0.453	49%	0.491	S	S	.	.			trans	-64.4	113.9	-174.9	-170.3	176.8	-170	0	0	109.7	T480 T484 P555 P769	T480-M482 PolarHBondContact O-N 3.34Å; T480-M482 VanDerWaalsContact O-N 3.14Å; M482-T484 WeakPolarHBondContact O-CG2 3.47Å; M482-T484 PolarHBondContact O-N 2.83Å; M482-P555 HydrophobicContact CE-CB 4.14Å; M482-P555 HydrophobicContact CE-CG 3.91Å; M482-P769 HydrophobicContact CE-CG 3.8Å
483	K	81.1	Confident	72.8	Confident	26 Å²	26	88.6 Å²	88.6	11%	0.113	46%	0.455	C	S	.	.			trans	-58.3	128.9	-174.6	-67.1	169.3	-175.6	137.7	0	110.6	Q461 E462 D463 E481 W487 T554 L556 L557	Q461-K483 PolarHBondContact O-NZ 3.48Å; E462-K483 VanDerWaalsContact C-NZ 3.26Å; E462-K483 PolarHBondContact O-NZ 2.89Å; D463-K483 WeakPolarHBondContact OD1-CE 3.21Å; D463-K483 IonicContact OD1-NZ 2.67Å; D463-K483 PolarHBondContact OD1-NZ 3.34Å; E481-K483 PolarHBondContact O-N 2.82Å; E481-K483 VanDerWaalsContact O-N 3.08Å; K483-W487 HydrophobicContact CB-CD2 4.45Å; K483-W487 HydrophobicContact CB-CE3 3.98Å; K483-W487 HydrophobicContact CB-CZ3 4.34Å; K483-W487 HydrophobicContact CD-CE3 4.31Å; K483-W487 HydrophobicContact CD-CH2 4Å; K483-W487 HydrophobicContact CD-CZ2 4.46Å; K483-W487 HydrophobicContact CD-CZ3 3.92Å; K483-W487 HydrophobicContact CG-CD2 4.27Å; K483-W487 HydrophobicContact CG-CE3 4.06Å; K483-W487 HydrophobicContact CG-CH2 4.46Å; K483-W487 HydrophobicContact CG-CZ3 4.19Å; K483-T554 HydrophobicContact CD-CG2 4.21Å; K483-L556 HydrophobicContact CB-CD1 3.93Å; K483-L557 PolarHBondContact O-N 2.74Å
484	T	88.1	Confident	74.6	Confident	49 Å²	49	82.8 Å²	82.8	30%	0.301	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-107.9	159.6	-179.2	66.5	0	0	0	0	110.8	M482 R486 W487 A488 L556 L557	M482-T484 WeakPolarHBondContact O-CG2 3.47Å; M482-T484 PolarHBondContact O-N 2.83Å; T484-R486 PolarHBondContact O-N 2.72Å; T484-W487 WeakPolarHBondContact O-CB 3.39Å; T484-W487 PolarHBondContact O-N 3.21Å; T484-W487 PolarHBondContact OG1-N 3.07Å; T484-W487 VanDerWaalsContact OG1-N 3.15Å; T484-A488 PolarHBondContact O-N 2.9Å; T484-L556 WeakPolarHBondContact O-CD1 3.47Å; T484-L557 HydrophobicContact CG2-CB 4.22Å; T484-L557 HydrophobicContact CG2-CD2 4.23Å
485	L	90.2	Very high	76.6	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-57.2	-35.6	172.3	-175.5	62.1	0	0	0	112	W487 A488 I489 I530 L532 L556 L557 P559 L780 Y782	L485-W487 VanDerWaalsContact C-N 3.33Å; L485-W487 PolarHBondContact O-N 3.01Å; L485-A488 PolarHBondContact O-N 3.14Å; L485-I489 HydrophobicContact CD1-CD1 4.32Å; L485-I489 HydrophobicContact CD1-CG1 4.48Å; L485-I489 HydrophobicContact CG-CD1 3.88Å; L485-I489 HydrophobicContact CG-CG1 4.49Å; L485-I489 WeakPolarHBondContact O-CD1 3.34Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.32Å; L485-I489 PolarHBondContact O-N 2.82Å; L485-I530 HydrophobicContact CD1-CD1 4.43Å; L485-I530 HydrophobicContact CD1-CG2 4.23Å; L485-I530 HydrophobicContact CD2-CD1 4.14Å; L485-L532 HydrophobicContact CD1-CD2 4.08Å; L485-L556 HydrophobicContact CB-CD2 4.45Å; L485-L556 HydrophobicContact CD1-CD2 3.81Å; L485-L557 PolarHBondContact N-O 3.16Å; L485-P559 HydrophobicContact CD2-CG 4.44Å; L485-L780 HydrophobicContact CD1-CD1 3.97Å; L485-L780 HydrophobicContact CD2-CD1 3.82Å; L485-Y782 HydrophobicContact CD2-CE2 3.96Å; L485-Y782 WeakPolarHBondContact CD2-OH 3.45Å
486	R	90.8	Very high	78.5	Confident	155 Å²	155	77 Å²	77	59%	0.585	40%	0.398	S	S	*	.	H	α-helix	trans	-60.2	-40.9	174.3	-164.5	-171.8	-177.3	161.6	-1.2	111.7	T484 S490 E566 W567	T484-R486 PolarHBondContact O-N 2.72Å; R486-S490 WeakPolarHBondContact O-CB 3.37Å; R486-S490 PolarHBondContact O-N 2.84Å; R486-E566 IonicContact CZ-OE2 3.54Å; R486-E566 IonicContact NE-OE2 3.58Å; R486-E566 PolarHBondContact NE-OE2 3.06Å; R486-E566 IonicContact NH2-OE2 2.65Å; R486-E566 PolarHBondContact NH2-OE2 2.76Å; R486-W567 HydrophobicContact CG-CH2 3.7Å; R486-W567 HydrophobicContact CG-CZ2 4.27Å
487	W	91.1	Very high	80.5	Confident	63 Å²	63	78.5 Å²	78.5	24%	0.239	39%	0.388	C	S	.	.	H	α-helix	trans	-64.5	-44.2	173.7	170	94.1	0	0	0	111.8	Q461 K483 T484 L485 I489 S490 Q491 L556	Q461-W487 HydrophobicContact CB-CH2 4.15Å; Q461-W487 HydrophobicContact CG-CH2 3.96Å; K483-W487 HydrophobicContact CB-CD2 4.45Å; K483-W487 HydrophobicContact CB-CE3 3.98Å; K483-W487 HydrophobicContact CB-CZ3 4.34Å; K483-W487 HydrophobicContact CD-CE3 4.31Å; K483-W487 HydrophobicContact CD-CH2 4Å; K483-W487 HydrophobicContact CD-CZ2 4.46Å; K483-W487 HydrophobicContact CD-CZ3 3.92Å; K483-W487 HydrophobicContact CG-CD2 4.27Å; K483-W487 HydrophobicContact CG-CE3 4.06Å; K483-W487 HydrophobicContact CG-CH2 4.46Å; K483-W487 HydrophobicContact CG-CZ3 4.19Å; T484-W487 WeakPolarHBondContact O-CB 3.39Å; T484-W487 PolarHBondContact O-N 3.21Å; T484-W487 PolarHBondContact OG1-N 3.07Å; T484-W487 VanDerWaalsContact OG1-N 3.15Å; L485-W487 VanDerWaalsContact C-N 3.33Å; L485-W487 PolarHBondContact O-N 3.01Å; W487-I489 VanDerWaalsContact C-N 3.31Å; W487-I489 PolarHBondContact O-N 2.86Å; W487-S490 PolarHBondContact O-N 3.01Å; W487-S490 VanDerWaalsContact O-N 3.14Å; W487-S490 PolarHBondContact O-OG 3.22Å; W487-Q491 HydrophobicContact CD2-CG 4.17Å; W487-Q491 HydrophobicContact CH2-CG 4.1Å; W487-Q491 HydrophobicContact CZ2-CG 3.74Å; W487-Q491 HydrophobicContact CZ3-CG 4.48Å; W487-Q491 WeakPolarHBondContact O-CG 3.29Å; W487-Q491 PolarHBondContact O-N 3.39Å; W487-L556 HydrophobicContact CE3-CD1 4.4Å
488	A	92.3	Very high	82.9	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-37	-179.9	0	0	0	0	0	112.2	V458 T484 L485 Q491 F492 L556	V458-A488 HydrophobicContact CB-CB 4.03Å; V458-A488 HydrophobicContact CG2-CB 3.93Å; T484-A488 PolarHBondContact O-N 2.9Å; L485-A488 PolarHBondContact O-N 3.14Å; A488-Q491 PolarHBondContact O-N 3.19Å; A488-F492 PolarHBondContact O-N 2.89Å; A488-F492 VanDerWaalsContact O-N 3.15Å; A488-L556 HydrophobicContact CB-CD1 4.08Å; A488-L556 HydrophobicContact CB-CD2 3.83Å
489	I	93.1	Very high	85.1	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.9	-38.9	173.2	-60.2	159.4	0	0	0	111	V458 L485 W487 Q491 F492 A493 F521 I530 L562 L564 W567	V458-I489 HydrophobicContact CG1-CG1 4.04Å; L485-I489 HydrophobicContact CD1-CD1 4.32Å; L485-I489 HydrophobicContact CD1-CG1 4.48Å; L485-I489 HydrophobicContact CG-CD1 3.88Å; L485-I489 HydrophobicContact CG-CG1 4.49Å; L485-I489 WeakPolarHBondContact O-CD1 3.34Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.32Å; L485-I489 PolarHBondContact O-N 2.82Å; W487-I489 VanDerWaalsContact C-N 3.31Å; W487-I489 PolarHBondContact O-N 2.86Å; I489-Q491 VanDerWaalsContact C-N 3.26Å; I489-Q491 PolarHBondContact O-N 3.18Å; I489-F492 WeakPolarHBondContact O-CB 3.28Å; I489-F492 PolarHBondContact O-N 2.81Å; I489-A493 PolarHBondContact O-N 3.35Å; I489-F521 HydrophobicContact CG2-CE2 4.26Å; I489-F521 HydrophobicContact CG2-CZ 4.47Å; I489-I530 HydrophobicContact CD1-CD1 4.26Å; I489-L562 HydrophobicContact CD1-CD1 3.9Å; I489-L562 HydrophobicContact CD1-CD2 4.38Å; I489-L564 HydrophobicContact CD1-CD2 3.86Å; I489-L564 HydrophobicContact CG2-CD2 4.07Å; I489-W567 HydrophobicContact CB-CH2 3.92Å; I489-W567 HydrophobicContact CB-CZ3 3.95Å; I489-W567 HydrophobicContact CG2-CD2 4.01Å; I489-W567 HydrophobicContact CG2-CE3 3.49Å; I489-W567 VanDerWaalsContact CG2-CE3 3.49Å; I489-W567 HydrophobicContact CG2-CH2 3.77Å; I489-W567 HydrophobicContact CG2-CZ2 4.31Å; I489-W567 HydrophobicContact CG2-CZ3 3.35Å
490	S	91.9	Very high	87.1	Confident	35 Å²	35	61.1 Å²	61.1	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-31.8	175.5	86.5	0	0	0	0	112.5	R486 W487 S494	R486-S490 WeakPolarHBondContact O-CB 3.37Å; R486-S490 PolarHBondContact O-N 2.84Å; W487-S490 PolarHBondContact O-N 3.01Å; W487-S490 VanDerWaalsContact O-N 3.14Å; W487-S490 PolarHBondContact O-OG 3.22Å; S490-S494 WeakPolarHBondContact O-CA 3.48Å; S490-S494 WeakPolarHBondContact O-CB 3.42Å; S490-S494 PolarHBondContact O-N 3.27Å
491	Q	92	Very high	88.9	Confident	73 Å²	73	65 Å²	65	34%	0.341	33%	0.329	S	S	.	.	H	α-helix	trans	-68.7	-39.9	170.4	-62.1	-47.6	-82.8	0	0	112.1	P459 W487 A488 I489 S494	P459-Q491 HydrophobicContact CG-CB 3.76Å; W487-Q491 HydrophobicContact CD2-CG 4.17Å; W487-Q491 HydrophobicContact CH2-CG 4.1Å; W487-Q491 HydrophobicContact CZ2-CG 3.74Å; W487-Q491 HydrophobicContact CZ3-CG 4.48Å; W487-Q491 WeakPolarHBondContact O-CG 3.29Å; W487-Q491 PolarHBondContact O-N 3.39Å; A488-Q491 PolarHBondContact O-N 3.19Å; I489-Q491 VanDerWaalsContact C-N 3.26Å; I489-Q491 PolarHBondContact O-N 3.18Å; Q491-S494 WeakPolarHBondContact O-CB 3.43Å; Q491-S494 PolarHBondContact O-N 2.7Å; Q491-S494 PolarHBondContact O-OG 3.36Å
492	F	91.6	Very high	90.4	Very high	18 Å²	18	63.3 Å²	63.3	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-40.9	175.5	170.8	-86.7	0	0	0	112.8	I351 L434 I456 V458 A488 I489 S494 L519 F521	I351-F492 HydrophobicContact CD1-CD2 3.72Å; I351-F492 HydrophobicContact CD1-CE2 3.81Å; L434-F492 HydrophobicContact CD1-CZ 4.24Å; L434-F492 HydrophobicContact CD2-CE1 4.19Å; L434-F492 HydrophobicContact CD2-CZ 4.39Å; I456-F492 HydrophobicContact CG2-CD1 4.01Å; I456-F492 HydrophobicContact CG2-CD2 4.22Å; I456-F492 HydrophobicContact CG2-CE1 3.94Å; I456-F492 HydrophobicContact CG2-CE2 4.14Å; I456-F492 HydrophobicContact CG2-CG 4.16Å; I456-F492 HydrophobicContact CG2-CZ 4Å; V458-F492 HydrophobicContact CG1-CB 4.11Å; A488-F492 PolarHBondContact O-N 2.89Å; A488-F492 VanDerWaalsContact O-N 3.15Å; I489-F492 WeakPolarHBondContact O-CB 3.28Å; I489-F492 PolarHBondContact O-N 2.81Å; F492-S494 VanDerWaalsContact C-N 3.35Å; F492-L519 HydrophobicContact CD1-CD1 4.46Å; F492-L519 HydrophobicContact CE1-CD1 3.85Å; F492-L519 HydrophobicContact CE2-CD1 4.04Å; F492-L519 HydrophobicContact CZ-CD1 3.62Å; F492-F521 HydrophobicContact CD1-CZ 4.14Å; F492-F521 AromaticContact CE1-CE1 3.87Å; F492-F521 HydrophobicContact CE1-CE1 3.87Å; F492-F521 AromaticContact CE1-CZ 3.85Å; F492-F521 HydrophobicContact CE1-CZ 3.85Å
493	A	92	Very high	91.6	Very high	12 Å²	12	62.2 Å²	62.2	10%	0.099	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.6	178.2	0	0	0	0	0	114.1	I489 W567	I489-A493 PolarHBondContact O-N 3.35Å; A493-W567 HydrophobicContact CB-CB 3.93Å; A493-W567 VanDerWaalsContact CB-CD1 3.47Å; A493-W567 HydrophobicContact CB-CD2 4.38Å; A493-W567 HydrophobicContact CB-CG 3.63Å
494	S	92.1	Very high	92.2	Very high	56 Å²	56	63.4 Å²	63.4	39%	0.392	32%	0.322	S	S	.	.			trans	-65.2	154	-175	66.6	0	0	0	0	113.2	S490 Q491 F492 E496	S490-S494 WeakPolarHBondContact O-CA 3.48Å; S490-S494 WeakPolarHBondContact O-CB 3.42Å; S490-S494 PolarHBondContact O-N 3.27Å; Q491-S494 WeakPolarHBondContact O-CB 3.43Å; Q491-S494 PolarHBondContact O-N 2.7Å; Q491-S494 PolarHBondContact O-OG 3.36Å; F492-S494 VanDerWaalsContact C-N 3.35Å; S494-E496 PolarHBondContact O-N 2.61Å
495	V	92.9	Very high	92.5	Very high	93 Å²	93	65.3 Å²	65.3	56%	0.564	33%	0.326	S	S	*	.			trans	-80	106.1	175.8	-173	0	0	0	0	109.5	E516 R517	V495-E516 HydrophobicContact CG1-CB 3.81Å; V495-E516 HydrophobicContact CG1-CG 4.12Å; V495-R517 CarbonylContact C-O 3.35Å; V495-R517 WeakPolarHBondContact CA-O 3.37Å
496	E	93.1	Very high	92.8	Very high	53 Å²	53	65.3 Å²	65.3	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.4	170.6	-177.6	-177.7	-169.5	0	0	110.3	S350 S494 E516 R517	S350-E496 VanDerWaalsContact CB-CD 3.41Å; S350-E496 WeakPolarHBondContact CB-OE1 3.35Å; S350-E496 WeakPolarHBondContact CB-OE2 3.4Å; S350-E496 PolarHBondContact OG-OE1 2.8Å; S350-E496 PolarHBondContact OG-OE2 2.74Å; S494-E496 PolarHBondContact O-N 2.61Å; E496-E516 CarbonylContact O-C 3.53Å; E496-R517 PolarHBondContact N-O 3.16Å; E496-R517 PolarHBondContact O-N 3.01Å; E496-R517 IonicContact OE1-NH2 3.46Å; E496-R517 IonicContact OE2-CZ 3.9Å; E496-R517 IonicContact OE2-NE 2.67Å; E496-R517 PolarHBondContact OE2-NE 3.38Å; E496-R517 IonicContact OE2-NH2 3.1Å; E496-R517 PolarHBondContact OE2-NH2 2.8Å
497	R	94.1	Very high	93.1	Very high	148 Å²	148	64.5 Å²	64.5	56%	0.558	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.6	169.9	-165.9	-168.6	164.3	152	-6.1	110.5	L441 V499 E514 A515	L441-R497 HydrophobicContact CD1-CG 4.19Å; R497-V499 HydrophobicContact CB-CG1 4.5Å; R497-V499 HydrophobicContact CG-CG1 3.74Å; R497-V499 PolarHBondContact O-N 2.78Å; R497-E514 IonicContact CZ-OE2 2.64Å; R497-E514 IonicContact NE-OE2 3.59Å; R497-E514 IonicContact NH2-OE2 3.6Å; R497-E514 PolarHBondContact NH2-OE2 2.85Å; R497-A515 CarbonylContact C-O 3.57Å; R497-A515 WeakPolarHBondContact CA-O 3.39Å
498	I	93.8	Very high	93.3	Very high	13 Å²	13	66.8 Å²	66.8	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.9	177.2	-53.9	-178.9	0	0	0	109.3	D502 E514 A515 R517	I498-D502 HydrophobicContact CG2-CB 4.39Å; I498-D502 WeakPolarHBondContact CG2-O 3.41Å; I498-E514 WeakPolarHBondContact O-CA 3.39Å; I498-A515 HydrophobicContact CB-CB 4.33Å; I498-A515 HydrophobicContact CD1-CB 4.37Å; I498-A515 PolarHBondContact N-O 3.4Å; I498-A515 PolarHBondContact O-N 2.83Å; I498-R517 HydrophobicContact CD1-CB 3.86Å; I498-R517 HydrophobicContact CG1-CB 4.19Å
499	V	94.3	Very high	93.5	Very high	59 Å²	59	68.1 Å²	68.1	36%	0.358	36%	0.355	S	S	.	.			trans	-143.9	173.3	-173.3	-60.1	0	0	0	0	112.1	R497 E501 D502 E514	R497-V499 HydrophobicContact CB-CG1 4.5Å; R497-V499 HydrophobicContact CG-CG1 3.74Å; R497-V499 PolarHBondContact O-N 2.78Å; V499-E501 PolarHBondContact O-N 3.09Å; V499-D502 PolarHBondContact O-N 3.36Å; V499-E514 HydrophobicContact CG1-CG 4.26Å
500	G	92.9	Very high	93.6	Very high	54 Å²	54	75.3 Å²	75.3	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-121.3	168.3	0	0	0	0	0	113.8	K503	G500-K503 WeakPolarHBondContact O-CG 3.42Å
501	E	91.8	Very high	93.8	Very high	195 Å²	195	77.6 Å²	77.6	91%	0.911	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-26.6	178.7	-62	-170.2	176	0	0	112.3	V499 K503	V499-E501 PolarHBondContact O-N 3.09Å; E501-K503 VanDerWaalsContact C-N 3.29Å; E501-K503 PolarHBondContact O-N 2.67Å
502	D	92.3	Very high	94	Very high	136 Å²	136	81.7 Å²	81.7	73%	0.727	41%	0.409	S	S	*	.	S	Bend	trans	-85.5	11.7	-173.4	-62.4	-67.6	0	0	0	114.4	I498 V499	I498-D502 HydrophobicContact CG2-CB 4.39Å; I498-D502 WeakPolarHBondContact CG2-O 3.41Å; V499-D502 PolarHBondContact O-N 3.36Å
503	K	93.3	Very high	94.2	Very high	69 Å²	69	81.5 Å²	81.5	30%	0.3	41%	0.409	S	S	.	.			trans	-48.5	140.4	-170.7	-80	-173.1	-178.8	-150.5	0	114	G500 E501 Y512 T513 E514	G500-K503 WeakPolarHBondContact O-CG 3.42Å; E501-K503 VanDerWaalsContact C-N 3.29Å; E501-K503 PolarHBondContact O-N 2.67Å; K503-Y512 VanDerWaalsContact O-CD1 3.32Å; K503-Y512 WeakPolarHBondContact O-CD1 3.31Å; K503-T513 WeakPolarHBondContact CB-O 3.48Å; K503-E514 HydrophobicContact CD-CG 4.29Å; K503-E514 WeakPolarHBondContact CE-OE1 3.44Å; K503-E514 HydrophobicContact CG-CG 4.42Å; K503-E514 IonicContact NZ-OE1 3.28Å; K503-E514 PolarHBondContact NZ-OE1 3.42Å
504	Y	92.5	Very high	94.5	Very high	50 Å²	50	83.3 Å²	83.3	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133	178.9	163.5	-108.2	0	0	0	110.7	T438 C506 Y512 T513 A515	T438-Y504 HydrophobicContact CG2-CD1 4.37Å; T438-Y504 HydrophobicContact CG2-CD2 4.32Å; T438-Y504 HydrophobicContact CG2-CE1 4.45Å; T438-Y504 HydrophobicContact CG2-CE2 4.43Å; T438-Y504 HydrophobicContact CG2-CG 4.3Å; Y504-C506 HydrophobicContact CD1-CB 4.1Å; Y504-C506 VanDerWaalsContact CE1-CA 3.44Å; Y504-C506 HydrophobicContact CE1-CB 3.69Å; Y504-C506 PolarHBondContact O-N 3.11Å; Y504-Y512 WeakPolarHBondContact O-CA 3.46Å; Y504-T513 PolarHBondContact N-O 3.28Å; Y504-T513 VanDerWaalsContact N-O 3.1Å; Y504-T513 PolarHBondContact O-N 3.37Å; Y504-A515 HydrophobicContact CD1-CB 3.93Å; Y504-A515 HydrophobicContact CG-CB 4.14Å
505	F	95.6	Very high	94.7	Very high	89 Å²	89	80.7 Å²	80.7	39%	0.39	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	106.5	170.7	-174	-89.9	0	0	0	109.6	E507 H510 Y512	F505-E507 PolarHBondContact O-N 3.39Å; F505-H510 WeakPolarHBondContact CE2-O 3.32Å; F505-H510 VanDerWaalsContact CZ-C 3.5Å; F505-H510 WeakPolarHBondContact CZ-O 3.46Å; F505-Y512 HydrophobicContact CB-CD1 3.92Å; F505-Y512 HydrophobicContact CB-CE1 3.76Å; F505-Y512 HydrophobicContact CD2-CD1 4.33Å; F505-Y512 HydrophobicContact CD2-CD2 4.16Å; F505-Y512 HydrophobicContact CD2-CE1 4.27Å; F505-Y512 HydrophobicContact CD2-CE2 4.07Å; F505-Y512 HydrophobicContact CD2-CG 4.3Å
506	C	96.3	Very high	94.9	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.4	178.6	178.5	0	0	0	0	110.4	C440 Y504 N508 C509 H510 H511 T513	C440-C506 VanDerWaalsContact SG-SG 3.69Å; Y504-C506 HydrophobicContact CD1-CB 4.1Å; Y504-C506 VanDerWaalsContact CE1-CA 3.44Å; Y504-C506 HydrophobicContact CE1-CB 3.69Å; Y504-C506 PolarHBondContact O-N 3.11Å; C506-N508 PolarHBondContact O-N 2.78Å; C506-N508 PolarHBondContact SG-N 2.82Å; C506-N508 VanDerWaalsContact SG-N 3.44Å; C506-C509 HydrophobicContact CB-CB 3.98Å; C506-C509 PolarHBondContact O-N 2.85Å; C506-C509 PolarHBondContact SG-N 3.12Å; C506-C509 VanDerWaalsContact SG-N 3.37Å; C506-H510 WeakPolarHBondContact O-CA 3.37Å; C506-H510 PolarHBondContact O-N 3.47Å; C506-H511 PolarHBondContact N-O 3.41Å; C506-T513 HydrophobicContact CB-CG2 3.61Å
507	E	95.3	Very high	95	Very high	139 Å²	139	78 Å²	78	65%	0.65	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.8	177.1	-64.2	-169.9	166.5	0	0	113	F505 H510	F505-E507 PolarHBondContact O-N 3.39Å; E507-H510 PolarHBondContact O-CE1 2.9Å; E507-H510 PolarHBondContact O-ND1 2.65Å
508	N	95.8	Very high	95.1	Very high	110 Å²	110	71.9 Å²	71.9	59%	0.588	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-32.6	179.5	-166.5	73.4	0	0	0	113.3	C443 C506	C443-N508 PolarHBondContact SG-ND2 2.98Å; C506-N508 PolarHBondContact O-N 2.78Å; C506-N508 PolarHBondContact SG-N 2.82Å; C506-N508 VanDerWaalsContact SG-N 3.44Å
509	C	96.1	Very high	95.2	Very high	28 Å²	28	71.8 Å²	71.8	19%	0.189	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.3	170.5	-58.6	0	0	0	0	113.5	E442 C443 C506 H511	E442-C509 PolarHBondContact OE2-SG 2.88Å; C443-C509 PolarHBondContact SG-SG 3.19Å; C506-C509 HydrophobicContact CB-CB 3.98Å; C506-C509 PolarHBondContact O-N 2.85Å; C506-C509 PolarHBondContact SG-N 3.12Å; C506-C509 VanDerWaalsContact SG-N 3.37Å; C509-H511 PolarHBondContact O-N 3.21Å; C509-H511 VanDerWaalsContact O-N 3.13Å; C509-H511 PolarHBondContact O-ND1 2.85Å
510	H	96.1	Very high	95.2	Very high	152 Å²	152	70.4 Å²	70.4	70%	0.704	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	24	-172.5	-60.2	-40.1	0	0	0	115.8	F505 C506 E507	F505-H510 WeakPolarHBondContact CE2-O 3.32Å; F505-H510 VanDerWaalsContact CZ-C 3.5Å; F505-H510 WeakPolarHBondContact CZ-O 3.46Å; C506-H510 WeakPolarHBondContact O-CA 3.37Å; C506-H510 PolarHBondContact O-N 3.47Å; E507-H510 PolarHBondContact O-CE1 2.9Å; E507-H510 PolarHBondContact O-ND1 2.65Å
511	H	96.2	Very high	95.3	Very high	82 Å²	82	68 Å²	68	38%	0.38	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	175	178	77	-82.4	0	0	0	113.7	E442 C506 C509 T513	E442-H511 IonicContact OE1-CE1 3.14Å; E442-H511 PolarHBondContact OE1-CE1 2.92Å; E442-H511 VanDerWaalsContact OE1-CE1 3.28Å; E442-H511 IonicContact OE1-NE2 3.47Å; E442-H511 IonicContact OE2-CE1 2.95Å; E442-H511 PolarHBondContact OE2-CE1 3.06Å; E442-H511 IonicContact OE2-NE2 3.57Å; E442-H511 PolarHBondContact OE2-NE2 2.98Å; C506-H511 PolarHBondContact N-O 3.41Å; C509-H511 PolarHBondContact O-N 3.21Å; C509-H511 VanDerWaalsContact O-N 3.13Å; C509-H511 PolarHBondContact O-ND1 2.85Å; H511-T513 PolarHBondContact O-N 2.8Å
512	Y	96.8	Very high	95.4	Very high	159 Å²	159	60.2 Å²	60.2	62%	0.624	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.4	179.2	-70.7	-75.6	0	0	0	112	K503 Y504 F505	K503-Y512 VanDerWaalsContact O-CD1 3.32Å; K503-Y512 WeakPolarHBondContact O-CD1 3.31Å; Y504-Y512 WeakPolarHBondContact O-CA 3.46Å; F505-Y512 HydrophobicContact CB-CD1 3.92Å; F505-Y512 HydrophobicContact CB-CE1 3.76Å; F505-Y512 HydrophobicContact CD2-CD1 4.33Å; F505-Y512 HydrophobicContact CD2-CD2 4.16Å; F505-Y512 HydrophobicContact CD2-CE1 4.27Å; F505-Y512 HydrophobicContact CD2-CE2 4.07Å; F505-Y512 HydrophobicContact CD2-CG 4.3Å
513	T	96	Very high	95.5	Very high	14 Å²	14	57.9 Å²	57.9	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	175.5	-173.4	-162.8	0	0	0	0	110.6	C440 E442 K503 Y504 C506 H511	C440-T513 WeakPolarHBondContact SG-CG2 3.33Å; E442-T513 WeakPolarHBondContact OE2-CB 3.42Å; E442-T513 PolarHBondContact OE2-OG1 3.32Å; K503-T513 WeakPolarHBondContact CB-O 3.48Å; Y504-T513 PolarHBondContact N-O 3.28Å; Y504-T513 VanDerWaalsContact N-O 3.1Å; Y504-T513 PolarHBondContact O-N 3.37Å; C506-T513 HydrophobicContact CB-CG2 3.61Å; H511-T513 PolarHBondContact O-N 2.8Å
514	E	97.1	Very high	95.5	Very high	51 Å²	51	55.8 Å²	55.8	24%	0.238	26%	0.261	C	S	.	.			trans	-86.5	149.7	178.5	-64.1	-177.1	-163.8	0	0	110.8	L441 R497 I498 V499 K503	L441-E514 HydrophobicContact CB-CB 4.41Å; L441-E514 WeakPolarHBondContact CB-O 3.08Å; L441-E514 HydrophobicContact CD1-CB 4.02Å; L441-E514 PolarHBondContact N-O 3.19Å; R497-E514 IonicContact CZ-OE2 2.64Å; R497-E514 IonicContact NE-OE2 3.59Å; R497-E514 IonicContact NH2-OE2 3.6Å; R497-E514 PolarHBondContact NH2-OE2 2.85Å; I498-E514 WeakPolarHBondContact O-CA 3.39Å; V499-E514 HydrophobicContact CG1-CG 4.26Å; K503-E514 HydrophobicContact CD-CG 4.29Å; K503-E514 WeakPolarHBondContact CE-OE1 3.44Å; K503-E514 HydrophobicContact CG-CG 4.42Å; K503-E514 IonicContact NZ-OE1 3.28Å; K503-E514 PolarHBondContact NZ-OE1 3.42Å
515	A	97.2	Very high	95.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.6	-175.2	0	0	0	0	0	112.4	T438 R439 R497 I498 Y504	T438-A515 HydrophobicContact CG2-CB 3.9Å; R439-A515 CarbonylContact O-C 3.55Å; R439-A515 WeakPolarHBondContact O-CA 3.02Å; R439-A515 WeakPolarHBondContact O-CB 3.38Å; R497-A515 CarbonylContact C-O 3.57Å; R497-A515 WeakPolarHBondContact CA-O 3.39Å; I498-A515 HydrophobicContact CB-CB 4.33Å; I498-A515 HydrophobicContact CD1-CB 4.37Å; I498-A515 PolarHBondContact N-O 3.4Å; I498-A515 PolarHBondContact O-N 2.83Å; Y504-A515 HydrophobicContact CD1-CB 3.93Å; Y504-A515 HydrophobicContact CG-CB 4.14Å
516	E	96.9	Very high	95.5	Very high	64 Å²	64	53.3 Å²	53.3	30%	0.299	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.9	165.9	-72.9	165.4	163.6	0	0	108.5	T438 R439 L441 V495 E496	T438-E516 CarbonylContact C-O 3.6Å; T438-E516 VanDerWaalsContact CA-O 3.29Å; T438-E516 WeakPolarHBondContact CA-O 3.2Å; R439-E516 HydrophobicContact CB-CB 4.43Å; R439-E516 IonicContact CZ-OE2 3.37Å; R439-E516 PolarHBondContact N-O 3.34Å; R439-E516 IonicContact NH1-OE1 3.37Å; R439-E516 IonicContact NH1-OE2 3.57Å; R439-E516 PolarHBondContact NH1-OE2 3.33Å; R439-E516 PolarHBondContact O-N 2.91Å; L441-E516 HydrophobicContact CD1-CG 4.38Å; L441-E516 HydrophobicContact CD2-CG 3.88Å; L441-E516 HydrophobicContact CG-CG 4.32Å; V495-E516 HydrophobicContact CG1-CB 3.81Å; V495-E516 HydrophobicContact CG1-CG 4.12Å; E496-E516 CarbonylContact O-C 3.53Å
517	R	95.4	Very high	95.5	Very high	27 Å²	27	53.4 Å²	53.4	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134	-178.6	-178.5	172.1	60.4	174.1	-7.5	110	L352 L436 R437 V495 E496 I498	L352-R517 VanDerWaalsContact CB-NH2 3.3Å; L352-R517 HydrophobicContact CD1-CG 3.88Å; L352-R517 PolarHBondContact O-NH1 3.43Å; L352-R517 PolarHBondContact O-NH2 3.07Å; L436-R517 HydrophobicContact CD1-CG 3.82Å; R437-R517 CarbonylContact O-C 3.15Å; R437-R517 WeakPolarHBondContact O-CA 3.41Å; V495-R517 CarbonylContact C-O 3.35Å; V495-R517 WeakPolarHBondContact CA-O 3.37Å; E496-R517 PolarHBondContact N-O 3.16Å; E496-R517 PolarHBondContact O-N 3.01Å; E496-R517 IonicContact OE1-NH2 3.46Å; E496-R517 IonicContact OE2-CZ 3.9Å; E496-R517 IonicContact OE2-NE 2.67Å; E496-R517 PolarHBondContact OE2-NE 3.38Å; E496-R517 IonicContact OE2-NH2 3.1Å; E496-R517 PolarHBondContact OE2-NH2 2.8Å; I498-R517 HydrophobicContact CD1-CB 3.86Å; I498-R517 HydrophobicContact CG1-CB 4.19Å
518	S	94.9	Very high	95.6	Very high	18 Å²	18	46.8 Å²	46.8	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.2	-174.2	51.9	0	0	0	0	111.4	R437	R437-S518 PolarHBondContact N-O 2.82Å; R437-S518 PolarHBondContact O-N 3.14Å; R437-S518 PolarHBondContact O-OG 2.98Å
519	L	95.4	Very high	95.6	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.3	170.3	-77.8	-179.9	0	0	0	109.8	L352 L434 L436 F492	L352-L519 HydrophobicContact CD2-CD1 3.74Å; L352-L519 HydrophobicContact CD2-CD2 4.34Å; L352-L519 HydrophobicContact CD2-CG 3.93Å; L434-L519 HydrophobicContact CB-CD2 4.42Å; L434-L519 HydrophobicContact CD1-CD2 4.36Å; L434-L519 HydrophobicContact CD2-CB 4.44Å; L434-L519 HydrophobicContact CD2-CD2 4.44Å; L436-L519 HydrophobicContact CB-CD2 4.13Å; L436-L519 HydrophobicContact CD1-CD2 3.63Å; L436-L519 HydrophobicContact CD1-CG 4.25Å; F492-L519 HydrophobicContact CD1-CD1 4.46Å; F492-L519 HydrophobicContact CE1-CD1 3.85Å; F492-L519 HydrophobicContact CE2-CD1 4.04Å; F492-L519 HydrophobicContact CZ-CD1 3.62Å
520	L	94.8	Very high	95.7	Very high	30 Å²	30	40.3 Å²	40.3	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.6	174.6	-64.3	170.4	0	0	0	110.4	L434 V435 R437 W567 T569	L434-L520 CarbonylContact C-O 3.59Å; L434-L520 WeakPolarHBondContact CA-O 3.44Å; V435-L520 PolarHBondContact N-O 2.74Å; V435-L520 PolarHBondContact O-N 2.88Å; R437-L520 VanDerWaalsContact NH1-CD1 3.33Å; L520-W567 CarbonylContact C-O 3.5Å; L520-W567 WeakPolarHBondContact CA-O 3.31Å; L520-W567 WeakPolarHBondContact CD2-O 3.48Å; L520-T569 HydrophobicContact CB-CG2 3.65Å; L520-T569 HydrophobicContact CD1-CG2 4.31Å
521	F	95.3	Very high	95.7	Very high	4 Å²	4	34 Å²	34	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.7	179	-65.3	-52.5	0	0	0	110.9	L434 F453 I456 I489 F492 M524 L564 W567 S568 T569	L434-F521 HydrophobicContact CD2-CD1 3.51Å; L434-F521 HydrophobicContact CD2-CE1 3.67Å; F453-F521 HydrophobicContact CE1-CD1 4.32Å; F453-F521 HydrophobicContact CZ-CD1 4.32Å; F453-F521 HydrophobicContact CZ-CE1 4.42Å; I456-F521 HydrophobicContact CD1-CE1 3.8Å; I456-F521 HydrophobicContact CD1-CZ 3.82Å; I456-F521 HydrophobicContact CG1-CE1 4.34Å; I456-F521 HydrophobicContact CG2-CZ 4.34Å; I489-F521 HydrophobicContact CG2-CE2 4.26Å; I489-F521 HydrophobicContact CG2-CZ 4.47Å; F492-F521 HydrophobicContact CD1-CZ 4.14Å; F492-F521 AromaticContact CE1-CE1 3.87Å; F492-F521 HydrophobicContact CE1-CE1 3.87Å; F492-F521 AromaticContact CE1-CZ 3.85Å; F492-F521 HydrophobicContact CE1-CZ 3.85Å; F521-M524 HydrophobicContact CB-CE 3.47Å; F521-M524 VanDerWaalsContact CB-CE 3.47Å; F521-M524 HydrophobicContact CB-SD 4.03Å; F521-M524 HydrophobicContact CD1-CE 3.6Å; F521-M524 HydrophobicContact CD1-SD 4.37Å; F521-M524 HydrophobicContact CG-CE 3.7Å; F521-M524 HydrophobicContact CG-SD 4.12Å; F521-L564 HydrophobicContact CD2-CB 4.03Å; F521-L564 HydrophobicContact CD2-CD1 4.28Å; F521-L564 HydrophobicContact CE2-CB 4.2Å; F521-L564 HydrophobicContact CE2-CD1 4.02Å; F521-L564 HydrophobicContact CE2-CD2 4.28Å; F521-L564 HydrophobicContact CE2-CG 4.41Å; F521-L564 HydrophobicContact CZ-CD1 4.3Å; F521-W567 HydrophobicContact CD2-CB 3.78Å; F521-W567 HydrophobicContact CE2-CB 3.95Å; F521-W567 HydrophobicContact CE2-CE3 4.33Å; F521-W567 PolarHBondContact N-O 3.27Å; F521-S568 CarbonylContact O-C 3.59Å; F521-S568 VanDerWaalsContact O-CA 3.24Å; F521-S568 WeakPolarHBondContact O-CA 3.4Å; F521-T569 PolarHBondContact O-N 3.32Å
522	D	94.4	Very high	95.6	Very high	32 Å²	32	30.3 Å²	30.3	17%	0.171	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-32.8	-177.4	-166.4	99.5	0	0	0	114.7	Q433 V435 R450 T569 K570	Q433-D522 PolarHBondContact O-N 2.73Å; V435-D522 HydrophobicContact CG2-CB 3.85Å; R450-D522 IonicContact CZ-OD1 2.81Å; R450-D522 IonicContact CZ-OD2 3.71Å; R450-D522 IonicContact NH1-OD1 3.73Å; R450-D522 IonicContact NH1-OD2 2.67Å; R450-D522 PolarHBondContact NH1-OD2 3.34Å; R450-D522 IonicContact NH2-OD1 3.98Å; R450-D522 PolarHBondContact NH2-OD1 3.3Å; R450-D522 IonicContact NH2-OD2 3.81Å; R450-D522 PolarHBondContact NH2-OD2 3.15Å; D522-T569 WeakPolarHBondContact CA-OG1 3.32Å; D522-T569 HydrophobicContact CB-CG2 3.94Å; D522-T569 VanDerWaalsContact CG-OG1 3.25Å; D522-T569 WeakPolarHBondContact OD1-CB 3.43Å; D522-T569 PolarHBondContact OD1-OG1 3.12Å; D522-K570 IonicContact OD1-NZ 3.72Å; D522-K570 PolarHBondContact OD1-NZ 3.31Å; D522-K570 VanDerWaalsContact OD1-NZ 3.14Å; D522-K570 IonicContact OD2-NZ 3.58Å; D522-K570 PolarHBondContact OD2-NZ 3.14Å
523	K	93.7	Very high	95.3	Very high	87 Å²	87	26 Å²	26	38%	0.378	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.9	168.8	-179.4	-150.7	171.6	-158.3	0	108.2	E427 Q431 G432 Q433	E427-K523 PolarHBondContact O-NZ 2.78Å; Q431-K523 PolarHBondContact O-NZ 2.97Å; G432-K523 CarbonylContact C-O 3.56Å; G432-K523 WeakPolarHBondContact CA-O 3.46Å; Q433-K523 HydrophobicContact CB-CB 3.93Å; Q433-K523 PolarHBondContact N-O 2.61Å; Q433-K523 PolarHBondContact O-N 2.9Å
524	M	93.6	Very high	94.8	Very high	25 Å²	25	25.5 Å²	25.5	12%	0.123	12%	0.121	C	C	.	.			trans	-93.5	145.1	171.4	-60.3	-70.3	79.8	0	0	111.9	F453 F521 I528 L564 Y576	F453-M524 HydrophobicContact CE1-CE 3.83Å; F453-M524 HydrophobicContact CZ-CE 3.58Å; F521-M524 HydrophobicContact CB-CE 3.47Å; F521-M524 VanDerWaalsContact CB-CE 3.47Å; F521-M524 HydrophobicContact CB-SD 4.03Å; F521-M524 HydrophobicContact CD1-CE 3.6Å; F521-M524 HydrophobicContact CD1-SD 4.37Å; F521-M524 HydrophobicContact CG-CE 3.7Å; F521-M524 HydrophobicContact CG-SD 4.12Å; M524-I528 HydrophobicContact SD-CD1 4.25Å; M524-L564 HydrophobicContact SD-CB 4.48Å; M524-L564 HydrophobicContact SD-CD1 3.75Å; M524-Y576 VanDerWaalsContact CB-OH 3.23Å; M524-Y576 WeakPolarHBondContact CB-OH 3.32Å
525	P	94.7	Very high	94.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.013	12%	0.117	C	C	.	.			trans	-80.8	167.8	172.7	35.2	-35.5	0	0	0	111.7	F430 V527 I528 Y576	F430-P525 VanDerWaalsContact C-CB 3.46Å; F430-P525 WeakPolarHBondContact O-CB 3.1Å; P525-V527 VanDerWaalsContact C-N 3.29Å; P525-V527 WeakPolarHBondContact CG-O 3.35Å; P525-I528 HydrophobicContact CG-CG1 3.72Å; P525-Y576 WeakPolarHBondContact O-CE1 3.35Å; P525-Y576 PolarHBondContact O-OH 3.33Å
526	E	94.2	Very high	93.2	Very high	84 Å²	84	25.4 Å²	25.4	39%	0.393	12%	0.122	S	C	.	.	S	Bend	trans	-67.9	-30.9	172.9	-62.6	-62	162.7	0	0	112.4	K428 L429 K784	K428-E526 HydrophobicContact CG-CG 4.43Å; K428-E526 PolarHBondContact O-N 3.02Å; L429-E526 HydrophobicContact CD2-CB 4.4Å; L429-E526 PolarHBondContact O-N 3.44Å; E526-K784 PolarHBondContact O-N 3.28Å
527	V	95.9	Very high	92	Very high	2 Å²	2	26 Å²	26	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.8	176.3	174.1	0	0	0	0	109.8	L429 F430 P525 F579 Y782	L429-V527 WeakPolarHBondContact O-CA 3.44Å; L429-V527 WeakPolarHBondContact O-CB 3.37Å; L429-V527 PolarHBondContact O-N 3.34Å; F430-V527 HydrophobicContact CD1-CB 4.19Å; F430-V527 HydrophobicContact CD1-CG1 4.03Å; F430-V527 HydrophobicContact CE1-CB 4.18Å; F430-V527 HydrophobicContact CE1-CG1 3.78Å; P525-V527 VanDerWaalsContact C-N 3.29Å; P525-V527 WeakPolarHBondContact CG-O 3.35Å; V527-F579 HydrophobicContact CG1-CE1 3.86Å; V527-F579 HydrophobicContact CG1-CZ 4.16Å; V527-F579 HydrophobicContact CG2-CE1 4.37Å; V527-Y782 CarbonylContact C-O 3.55Å; V527-Y782 VanDerWaalsContact CA-O 3.32Å; V527-Y782 WeakPolarHBondContact CA-O 3.41Å
528	I	96.2	Very high	90.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.7	175	-63.6	173.3	0	0	0	108.9	I456 M524 P525 I530 L564 Y576 Y782	I456-I528 HydrophobicContact CD1-CG2 3.71Å; I456-I528 HydrophobicContact CG1-CG2 4.29Å; M524-I528 HydrophobicContact SD-CD1 4.25Å; P525-I528 HydrophobicContact CG-CG1 3.72Å; I528-I530 HydrophobicContact CG2-CD1 4.39Å; I528-I530 HydrophobicContact CG2-CG1 3.83Å; I528-L564 HydrophobicContact CD1-CD1 3.7Å; I528-Y576 HydrophobicContact CD1-CD1 3.84Å; I528-Y576 HydrophobicContact CD1-CD2 3.95Å; I528-Y576 HydrophobicContact CD1-CE1 3.55Å; I528-Y576 HydrophobicContact CD1-CE2 3.66Å; I528-Y576 HydrophobicContact CD1-CG 4.07Å; I528-Y576 VanDerWaalsContact CD1-CZ 3.49Å; I528-Y576 HydrophobicContact CG1-CD1 4.11Å; I528-Y576 HydrophobicContact CG1-CE1 3.71Å; I528-Y782 PolarHBondContact N-O 3.04Å; I528-Y782 PolarHBondContact O-N 3.27Å
529	T	97.6	Very high	88.3	Confident	2 Å²	2	30 Å²	30	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.2	165	-51	0	0	0	0	109.2	L204 D455 I456 F781	L204-T529 HydrophobicContact CD2-CG2 3.83Å; D455-T529 CarbonylContact C-O 3.54Å; D455-T529 WeakPolarHBondContact CA-O 3.18Å; D455-T529 HydrophobicContact CB-CG2 4.17Å; I456-T529 PolarHBondContact N-O 2.87Å; T529-F781 HydrophobicContact CG2-CD1 4.18Å; T529-F781 HydrophobicContact CG2-CE1 3.71Å; T529-F781 HydrophobicContact CG2-CZ 4.1Å
530	I	97.3	Very high	86.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.2	170.2	-51.2	-177.5	0	0	0	108.6	I456 V458 L485 I489 I528 L532 L562 L779 L780 Y782	I456-I530 HydrophobicContact CB-CG1 4.41Å; I456-I530 WeakPolarHBondContact O-CA 3.28Å; I456-I530 VanDerWaalsContact O-CG2 3.29Å; I456-I530 WeakPolarHBondContact O-CG2 3.39Å; V458-I530 HydrophobicContact CG1-CG2 4.07Å; V458-I530 HydrophobicContact CG2-CG2 3.82Å; L485-I530 HydrophobicContact CD1-CD1 4.43Å; L485-I530 HydrophobicContact CD1-CG2 4.23Å; L485-I530 HydrophobicContact CD2-CD1 4.14Å; I489-I530 HydrophobicContact CD1-CD1 4.26Å; I528-I530 HydrophobicContact CG2-CD1 4.39Å; I528-I530 HydrophobicContact CG2-CG1 3.83Å; I530-L532 HydrophobicContact CG2-CD2 4.19Å; I530-L562 HydrophobicContact CD1-CD2 3.65Å; I530-L779 WeakPolarHBondContact O-CA 3.5Å; I530-L780 HydrophobicContact CB-CB 4.29Å; I530-L780 PolarHBondContact N-O 3.21Å; I530-L780 PolarHBondContact O-N 3.13Å; I530-Y782 HydrophobicContact CD1-CD2 3.99Å; I530-Y782 HydrophobicContact CD1-CE2 3.89Å; I530-Y782 HydrophobicContact CG1-CD2 4.34Å
531	H	96.2	Very high	84.2	Confident	19 Å²	19	42.4 Å²	42.4	9%	0.088	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.7	174	160.5	-143.6	0	0	0	109.5	Q201 I456 S457 V458 Y778 L779	Q201-H531 HydrophobicContact CG-CB 3.99Å; I456-H531 PolarHBondContact O-N 3.48Å; S457-H531 CarbonylContact C-O 3.55Å; S457-H531 PolarHBondContact OG-ND1 3.01Å; V458-H531 PolarHBondContact N-O 2.98Å; H531-Y778 AromaticContact CD2-CE2 3.52Å; H531-Y778 AromaticContact CD2-CZ 3.62Å; H531-Y778 PolarHBondContact CD2-OH 2.84Å; H531-Y778 AromaticContact NE2-CE2 3.42Å; H531-Y778 WeakPolarHBondContact NE2-CE2 3.21Å; H531-Y778 AromaticContact NE2-CZ 3.51Å; H531-Y778 PolarHBondContact NE2-OH 3.44Å; H531-L779 HydrophobicContact CB-CD2 3.69Å
532	L	93.5	Very high	81.8	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.1	172.7	-54.5	-167.7	0	0	0	108.7	V458 V460 L485 I530 C534 L556 P777 Y778 L780	V458-L532 HydrophobicContact CG2-CD2 3.49Å; V458-L532 VanDerWaalsContact CG2-CD2 3.49Å; V460-L532 HydrophobicContact CG2-CB 3.82Å; L485-L532 HydrophobicContact CD1-CD2 4.08Å; I530-L532 HydrophobicContact CG2-CD2 4.19Å; L532-C534 PolarHBondContact O-N 3.47Å; L532-C534 PolarHBondContact O-SG 2.91Å; L532-C534 VanDerWaalsContact O-SG 3.41Å; L532-L556 HydrophobicContact CD1-CB 4.37Å; L532-L556 HydrophobicContact CD1-CD2 4.01Å; L532-L556 HydrophobicContact CD2-CD2 3.59Å; L532-L556 HydrophobicContact CG-CD2 4.43Å; L532-P777 HydrophobicContact CD1-CB 4.02Å; L532-Y778 PolarHBondContact N-O 3.34Å; L532-Y778 WeakPolarHBondContact O-CE2 3.3Å; L532-L780 HydrophobicContact CD1-CD1 4.41Å; L532-L780 HydrophobicContact CD2-CD1 4.18Å; L532-L780 HydrophobicContact CG-CD1 4.46Å
533	K	91.3	Very high	79.5	Confident	68 Å²	68	54.2 Å²	54.2	30%	0.296	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	69.7	178.5	-72.6	169.3	169.3	151.2	0	112.1	S457 V458 F535	S457-K533 WeakPolarHBondContact O-CE 3.41Å; S457-K533 PolarHBondContact O-NZ 3.36Å; V458-K533 WeakPolarHBondContact O-CB 3.24Å; V458-K533 WeakPolarHBondContact O-CG 3.48Å; V458-K533 PolarHBondContact O-N 3.41Å; K533-F535 PolarHBondContact O-N 2.86Å
534	C	85.9	Confident	77.3	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.027	32%	0.315	C	S	.	.			trans	-79	2.8	-178.4	-60.1	0	0	0	0	113.7	L532 K551 I552 Y778	L532-C534 PolarHBondContact O-N 3.47Å; L532-C534 PolarHBondContact O-SG 2.91Å; L532-C534 VanDerWaalsContact O-SG 3.41Å; C534-K551 CarbonylContact O-C 3.49Å; C534-K551 VanDerWaalsContact O-CA 3.28Å; C534-K551 WeakPolarHBondContact O-CA 3.36Å; C534-K551 WeakPolarHBondContact O-CG 3.02Å; C534-I552 PolarHBondContact O-N 3.43Å; C534-Y778 HydrophobicContact CB-CD2 4.39Å
535	F	83.3	Confident	75.2	Confident	34 Å²	34	64.9 Å²	64.9	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.4	178.5	-58.8	-69.7	0	0	0	111	K533 S550 K551 H584 I589 Y778	K533-F535 PolarHBondContact O-N 2.86Å; F535-S550 WeakPolarHBondContact CA-O 3.35Å; F535-K551 HydrophobicContact CD1-CB 3.9Å; F535-K551 HydrophobicContact CD1-CG 3.93Å; F535-K551 HydrophobicContact CE1-CB 3.83Å; F535-K551 HydrophobicContact CE1-CD 4.06Å; F535-K551 HydrophobicContact CE1-CG 3.65Å; F535-K551 HydrophobicContact CZ-CG 4.46Å; F535-H584 AromaticContact CZ-CE1 3.87Å; F535-H584 AromaticContact CZ-ND1 3.6Å; F535-I589 HydrophobicContact CD1-CB 4.03Å; F535-I589 HydrophobicContact CD2-CB 4.13Å; F535-I589 HydrophobicContact CD2-CD1 3.84Å; F535-I589 HydrophobicContact CD2-CG1 4.01Å; F535-I589 HydrophobicContact CE1-CB 3.94Å; F535-I589 HydrophobicContact CE2-CB 4.03Å; F535-I589 HydrophobicContact CE2-CD1 4.08Å; F535-I589 HydrophobicContact CE2-CG1 3.8Å; F535-I589 HydrophobicContact CG-CB 4.12Å; F535-I589 HydrophobicContact CG-CD1 4.37Å; F535-I589 HydrophobicContact CG-CG1 4.49Å; F535-I589 HydrophobicContact CZ-CB 3.93Å; F535-I589 HydrophobicContact CZ-CG1 4.1Å; F535-Y778 HydrophobicContact CD2-CE2 4.05Å; F535-Y778 HydrophobicContact CE2-CD2 4.27Å; F535-Y778 AromaticContact CE2-CE2 3.8Å; F535-Y778 HydrophobicContact CE2-CE2 3.8Å
536	A	76.8	Confident	73	Confident	15 Å²	15	67.9 Å²	67.9	12%	0.124	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140	-178.7	0	0	0	0	0	111.4	S538 L549 S550 I552	A536-S538 PolarHBondContact O-N 2.95Å; A536-L549 WeakPolarHBondContact O-CA 3.48Å; A536-S550 PolarHBondContact N-O 3.11Å; A536-S550 PolarHBondContact O-N 3.48Å; A536-I552 HydrophobicContact CB-CD1 3.99Å; A536-I552 HydrophobicContact CB-CG1 4.3Å
537	A	70.9	Confident	71	Confident	78 Å²	78	67.2 Å²	67.2	65%	0.645	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.7	172.6	0	0	0	0	0	110.1	G539 L549	A537-G539 PolarHBondContact O-N 2.75Å; A537-L549 HydrophobicContact CB-CD1 3.87Å
538	S	59.3	Low	69.2	Low	51 Å²	51	67.8 Å²	67.8	36%	0.357	41%	0.405	S	S	.	.			trans	-66	122	169	-177.5	0	0	0	0	109.9	A536 L540 G548	A536-S538 PolarHBondContact O-N 2.95Å; S538-L540 PolarHBondContact O-N 3.28Å; S538-G548 VanDerWaalsContact CB-O 3.29Å; S538-G548 WeakPolarHBondContact CB-O 3.49Å; S538-G548 PolarHBondContact N-O 3.4Å
539	G	53.2	Low	67.9	Low	77 Å²	77	71.2 Å²	71.2	79%	0.794	42%	0.423	S	S	*	.			trans	-74.3	15.1	-176.4	0	0	0	0	0	115.6	A537 E541	A537-G539 PolarHBondContact O-N 2.75Å; G539-E541 PolarHBondContact O-N 2.84Å
540	L	53.6	Low	66.7	Low	127 Å²	127	73.3 Å²	73.3	67%	0.665	44%	0.438	S	S	*	.			trans	-83.9	105.9	178.7	-77.6	166.7	0	0	0	110.3	S538 F542	S538-L540 PolarHBondContact O-N 3.28Å; L540-F542 PolarHBondContact O-N 2.99Å
541	E	50.7	Low	66	Low	174 Å²	174	74 Å²	74	81%	0.813	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	18.9	-174.3	-53.9	-174	139.9	0	0	115.7	G539	G539-E541 PolarHBondContact O-N 2.84Å
542	F	45.5	Very low	65.3	Low	184 Å²	184	73.5 Å²	73.5	81%	0.807	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.5	4.3	-166.4	-138.6	-97.8	0	0	0	117	L540 C544	L540-F542 PolarHBondContact O-N 2.99Å; F542-C544 VanDerWaalsContact C-N 3.35Å; F542-C544 PolarHBondContact O-N 3.38Å
543	D	45.6	Very low	64.5	Low	101 Å²	101	75.9 Å²	75.9	54%	0.54	45%	0.451	S	S	.	.			trans	-74	86.4	174.7	-78.4	-28.4	0	0	0	112	Y545 G546	D543-Y545 PolarHBondContact O-N 3.3Å; D543-G546 PolarHBondContact O-N 3.34Å
544	C	47.5	Very low	63.7	Low	108 Å²	108	73.5 Å²	73.5	73%	0.73	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	5.9	-175	58.5	0	0	0	0	115.7	F542	F542-C544 VanDerWaalsContact C-N 3.35Å; F542-C544 PolarHBondContact O-N 3.38Å
545	Y	49.6	Very low	62.8	Low	227 Å²	227	74.7 Å²	74.7	89%	0.89	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-7	-177.9	-79.7	-80	0	0	0	115.6	D543	D543-Y545 PolarHBondContact O-N 3.3Å
546	G	49.5	Very low	62.6	Low	65 Å²	65	73.5 Å²	73.5	67%	0.67	45%	0.445	S	S	*	.	S	Bend	trans	163.3	65.2	176.2	0	0	0	0	0	118.1	D543 G548	D543-G546 PolarHBondContact O-N 3.34Å; G546-G548 VanDerWaalsContact C-N 3.26Å; G546-G548 PolarHBondContact O-N 3.12Å
547	G	52.2	Low	63	Low	71 Å²	71	77.7 Å²	77.7	73%	0.732	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	5	150.5	0	0	0	0	0	118.8	L549	G547-L549 VanDerWaalsContact C-N 3.28Å; G547-L549 PolarHBondContact O-N 3.45Å; G547-L549 VanDerWaalsContact O-N 3.13Å
548	G	58.2	Low	63.8	Low	13 Å²	13	74.5 Å²	74.5	13%	0.134	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	6	165.3	0	0	0	0	0	117.3	S538 G546 S550	S538-G548 VanDerWaalsContact CB-O 3.29Å; S538-G548 WeakPolarHBondContact CB-O 3.49Å; S538-G548 PolarHBondContact N-O 3.4Å; G546-G548 VanDerWaalsContact C-N 3.26Å; G546-G548 PolarHBondContact O-N 3.12Å; G548-S550 PolarHBondContact O-N 3.09Å
549	L	68.1	Low	65.3	Low	74 Å²	74	74.5 Å²	74.5	39%	0.387	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115	173.8	-98.9	70.1	0	0	0	110.9	A536 A537 G547 I589	A536-L549 WeakPolarHBondContact O-CA 3.48Å; A537-L549 HydrophobicContact CB-CD1 3.87Å; G547-L549 VanDerWaalsContact C-N 3.28Å; G547-L549 PolarHBondContact O-N 3.45Å; G547-L549 VanDerWaalsContact O-N 3.13Å; L549-I589 HydrophobicContact CD2-CG2 3.93Å
550	S	72.6	Confident	67.2	Low	46 Å²	46	73.1 Å²	73.1	32%	0.322	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.8	169.2	58.6	0	0	0	0	111.1	F535 A536 G548	F535-S550 WeakPolarHBondContact CA-O 3.35Å; A536-S550 PolarHBondContact N-O 3.11Å; A536-S550 PolarHBondContact O-N 3.48Å; G548-S550 PolarHBondContact O-N 3.09Å
551	K	83.2	Confident	69.1	Low	14 Å²	14	74.3 Å²	74.3	6%	0.061	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.5	165.3	-169.7	-169.9	173.4	-146.5	0	110.1	C534 F535 N553 H584 G586 I587 T774 T776	C534-K551 CarbonylContact O-C 3.49Å; C534-K551 VanDerWaalsContact O-CA 3.28Å; C534-K551 WeakPolarHBondContact O-CA 3.36Å; C534-K551 WeakPolarHBondContact O-CG 3.02Å; F535-K551 HydrophobicContact CD1-CB 3.9Å; F535-K551 HydrophobicContact CD1-CG 3.93Å; F535-K551 HydrophobicContact CE1-CB 3.83Å; F535-K551 HydrophobicContact CE1-CD 4.06Å; F535-K551 HydrophobicContact CE1-CG 3.65Å; F535-K551 HydrophobicContact CZ-CG 4.46Å; K551-N553 VanDerWaalsContact CD-OD1 3.3Å; K551-N553 WeakPolarHBondContact CD-OD1 3.46Å; K551-N553 WeakPolarHBondContact CE-OD1 3.38Å; K551-N553 PolarHBondContact NZ-OD1 2.92Å; K551-N553 PolarHBondContact O-N 3.21Å; K551-N553 PolarHBondContact O-ND2 3.05Å; K551-H584 PolarHBondContact NZ-O 2.77Å; K551-G586 WeakPolarHBondContact CD-O 3.45Å; K551-I587 WeakPolarHBondContact CB-O 3.19Å; K551-I587 PolarHBondContact N-O 3.15Å; K551-T774 PolarHBondContact NZ-O 3.45Å; K551-T776 WeakPolarHBondContact CE-OG1 3.32Å; K551-T776 PolarHBondContact NZ-OG1 3.4Å
552	I	80	Confident	71.1	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.046	38%	0.375	C	S	.	.			trans	-72.1	112.5	166.9	-57.3	-177.6	0	0	0	107.6	V460 E462 C534 A536	V460-I552 HydrophobicContact CB-CG2 4.28Å; V460-I552 HydrophobicContact CG1-CG2 3.66Å; V460-I552 WeakPolarHBondContact O-CD1 3.37Å; E462-I552 HydrophobicContact CG-CB 4.25Å; E462-I552 HydrophobicContact CG-CD1 4.31Å; E462-I552 HydrophobicContact CG-CG1 3.9Å; E462-I552 HydrophobicContact CG-CG2 3.78Å; C534-I552 PolarHBondContact O-N 3.43Å; A536-I552 HydrophobicContact CB-CD1 3.99Å; A536-I552 HydrophobicContact CB-CG1 4.3Å
553	N	77	Confident	73.4	Confident	53 Å²	53	60.7 Å²	60.7	28%	0.283	36%	0.356	S	S	.	.			trans	-99.1	13	176.9	-68.7	-65.1	0	0	0	113.3	K551 P773 T776	K551-N553 VanDerWaalsContact CD-OD1 3.3Å; K551-N553 WeakPolarHBondContact CD-OD1 3.46Å; K551-N553 WeakPolarHBondContact CE-OD1 3.38Å; K551-N553 PolarHBondContact NZ-OD1 2.92Å; K551-N553 PolarHBondContact O-N 3.21Å; K551-N553 PolarHBondContact O-ND2 3.05Å; N553-P773 WeakPolarHBondContact CB-O 3.41Å; N553-P773 VanDerWaalsContact CG-O 3.27Å; N553-T776 HydrophobicContact CB-CG2 4.13Å
554	T	74.4	Confident	75.6	Confident	19 Å²	19	56.1 Å²	56.1	12%	0.117	33%	0.331	C	S	.	.			trans	-60.4	127.5	176.3	-83.3	0	0	0	0	110.2	Q461 D463 K483	Q461-T554 WeakPolarHBondContact O-CG2 3.45Å; D463-T554 PolarHBondContact N-OG1 2.76Å; D463-T554 VanDerWaalsContact N-OG1 3.11Å; D463-T554 WeakPolarHBondContact OD2-CG2 3.35Å; D463-T554 PolarHBondContact OD2-OG1 3.49Å; K483-T554 HydrophobicContact CD-CG2 4.21Å
555	P	68.3	Low	77.7	Confident	28 Å²	28	54.8 Å²	54.8	18%	0.182	31%	0.314	C	S	.	.			trans	-66.3	142.1	179.3	30.2	-38.6	0	0	0	111.1	M482 P769	M482-P555 HydrophobicContact CE-CB 4.14Å; M482-P555 HydrophobicContact CE-CG 3.91Å; P555-P769 HydrophobicContact CB-CB 3.78Å; P555-P769 HydrophobicContact CB-CG 3.86Å; P555-P769 HydrophobicContact CG-CB 3.69Å; P555-P769 HydrophobicContact CG-CG 3.79Å
556	L	79.4	Confident	79.6	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.047	30%	0.297	C	S	.	.			trans	-118.6	111.5	172.3	-164	73	0	0	0	108.9	K483 T484 L485 W487 A488 L532 T558	K483-L556 HydrophobicContact CB-CD1 3.93Å; T484-L556 WeakPolarHBondContact O-CD1 3.47Å; L485-L556 HydrophobicContact CB-CD2 4.45Å; L485-L556 HydrophobicContact CD1-CD2 3.81Å; W487-L556 HydrophobicContact CE3-CD1 4.4Å; A488-L556 HydrophobicContact CB-CD1 4.08Å; A488-L556 HydrophobicContact CB-CD2 3.83Å; L532-L556 HydrophobicContact CD1-CB 4.37Å; L532-L556 HydrophobicContact CD1-CD2 4.01Å; L532-L556 HydrophobicContact CD2-CD2 3.59Å; L532-L556 HydrophobicContact CG-CD2 4.43Å; L556-T558 PolarHBondContact O-N 2.98Å; L556-T558 PolarHBondContact O-OG1 3.27Å
557	L	83.6	Confident	81.7	Confident	103 Å²	103	47.2 Å²	47.2	54%	0.539	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-61.6	110.8	-176.5	-175.2	69.7	0	0	0	109.7	K483 T484 L485	K483-L557 PolarHBondContact O-N 2.74Å; T484-L557 HydrophobicContact CG2-CB 4.22Å; T484-L557 HydrophobicContact CG2-CD2 4.23Å; L485-L557 PolarHBondContact N-O 3.16Å
558	T	88.2	Confident	83.6	Confident	11 Å²	11	44.9 Å²	44.9	7%	0.067	24%	0.241	C	C	.	.			trans	-104	113.3	-169.5	-67.6	0	0	0	0	109.7	L556 L578 L767 L780	L556-T558 PolarHBondContact O-N 2.98Å; L556-T558 PolarHBondContact O-OG1 3.27Å; T558-L578 HydrophobicContact CG2-CD2 4.11Å; T558-L767 HydrophobicContact CG2-CD1 4.44Å; T558-L780 HydrophobicContact CG2-CD1 3.78Å; T558-L780 HydrophobicContact CG2-CD2 3.93Å; T558-L780 HydrophobicContact CG2-CG 4.48Å
559	P	90.9	Very high	85.1	Confident	51 Å²	51	46.3 Å²	46.3	33%	0.331	25%	0.248	S	C	.	.			trans	-82.3	142.2	-176.7	34.4	-36	0	0	0	111.9	L485 K561 Y782	L485-P559 HydrophobicContact CD2-CG 4.44Å; P559-K561 WeakPolarHBondContact CB-O 3.36Å; P559-K561 PolarHBondContact O-N 2.82Å; P559-Y782 WeakPolarHBondContact O-CE1 3.3Å; P559-Y782 PolarHBondContact O-OH 2.97Å
560	L	92.2	Very high	86	Confident	48 Å²	48	48 Å²	48	25%	0.251	25%	0.252	S	S	.	.	S	Bend	trans	-66.2	-17.1	174.6	-65	179.3	0	0	0	113.7	G577 L578 W747 E760 F763 L764	L560-G577 WeakPolarHBondContact O-CA 3.45Å; L560-L578 HydrophobicContact CD2-CB 4.49Å; L560-L578 HydrophobicContact CD2-CD2 4.04Å; L560-L578 PolarHBondContact O-N 3.33Å; L560-W747 HydrophobicContact CD2-CZ2 4.18Å; L560-E760 VanDerWaalsContact CD1-CD 3.48Å; L560-E760 HydrophobicContact CD1-CG 4Å; L560-E760 WeakPolarHBondContact CD1-OE1 2.98Å; L560-F763 HydrophobicContact CD2-CE1 4.01Å; L560-L764 HydrophobicContact CD1-CD1 4.23Å; L560-L764 HydrophobicContact CD1-CD2 4.38Å; L560-L764 HydrophobicContact CD2-CD2 4.07Å; L560-L764 HydrophobicContact CG-CD2 4.14Å
561	K	94.3	Very high	86.5	Confident	153 Å²	153	51.4 Å²	51.4	67%	0.665	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.2	172	-69.3	-167.6	175.9	-167.8	0	111.1	P559 Y576 L785	P559-K561 WeakPolarHBondContact CB-O 3.36Å; P559-K561 PolarHBondContact O-N 2.82Å; K561-Y576 CarbonylContact C-O 3.46Å; K561-Y576 VanDerWaalsContact CA-O 3.23Å; K561-Y576 WeakPolarHBondContact CA-O 3.3Å; K561-L785 HydrophobicContact CD-CD1 4.2Å; K561-L785 HydrophobicContact CG-CD1 4.38Å
562	L	93.8	Very high	86.4	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.8	-179.2	-177.7	64.5	0	0	0	110.4	I489 I530 L564 Y576 Y782	I489-L562 HydrophobicContact CD1-CD1 3.9Å; I489-L562 HydrophobicContact CD1-CD2 4.38Å; I530-L562 HydrophobicContact CD1-CD2 3.65Å; L562-L564 HydrophobicContact CD1-CD2 4.16Å; L562-L564 HydrophobicContact CD2-CD2 4.09Å; L562-L564 HydrophobicContact CD2-CG 4.46Å; L562-L564 HydrophobicContact CG-CD2 4.11Å; L562-L564 HydrophobicContact CG-CG 4.45Å; L562-Y576 PolarHBondContact N-O 2.92Å; L562-Y576 PolarHBondContact O-N 3.14Å; L562-Y782 HydrophobicContact CB-CD1 3.79Å; L562-Y782 HydrophobicContact CB-CE1 3.6Å; L562-Y782 HydrophobicContact CD2-CD1 4.24Å; L562-Y782 HydrophobicContact CD2-CD2 4.11Å; L562-Y782 HydrophobicContact CD2-CE1 4.24Å; L562-Y782 HydrophobicContact CD2-CE2 4.1Å; L562-Y782 HydrophobicContact CD2-CG 4.17Å
563	S	93.6	Very high	86.5	Confident	58 Å²	58	59.5 Å²	59.5	41%	0.406	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.3	161.8	169.2	0	0	0	0	107.8	E565	S563-E565 PolarHBondContact OG-N 3.48Å
564	L	91.3	Very high	87.1	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	32%	0.315	C	S	.	.			trans	-113.8	6.6	177.2	-62	-176.4	0	0	0	112.8	I456 I489 F521 M524 I528 L562 E566 W567 S568	I456-L564 HydrophobicContact CD1-CD1 3.9Å; I489-L564 HydrophobicContact CD1-CD2 3.86Å; I489-L564 HydrophobicContact CG2-CD2 4.07Å; F521-L564 HydrophobicContact CD2-CB 4.03Å; F521-L564 HydrophobicContact CD2-CD1 4.28Å; F521-L564 HydrophobicContact CE2-CB 4.2Å; F521-L564 HydrophobicContact CE2-CD1 4.02Å; F521-L564 HydrophobicContact CE2-CD2 4.28Å; F521-L564 HydrophobicContact CE2-CG 4.41Å; F521-L564 HydrophobicContact CZ-CD1 4.3Å; M524-L564 HydrophobicContact SD-CB 4.48Å; M524-L564 HydrophobicContact SD-CD1 3.75Å; I528-L564 HydrophobicContact CD1-CD1 3.7Å; L562-L564 HydrophobicContact CD1-CD2 4.16Å; L562-L564 HydrophobicContact CD2-CD2 4.09Å; L562-L564 HydrophobicContact CD2-CG 4.46Å; L562-L564 HydrophobicContact CG-CD2 4.11Å; L562-L564 HydrophobicContact CG-CG 4.45Å; L564-E566 PolarHBondContact O-N 3.19Å; L564-E566 VanDerWaalsContact O-N 3.09Å; L564-W567 HydrophobicContact CD2-CE3 4.07Å; L564-W567 HydrophobicContact CD2-CZ3 3.89Å; L564-W567 PolarHBondContact O-N 3.45Å; L564-S568 PolarHBondContact O-N 3.04Å; L564-S568 PolarHBondContact O-OG 3.46Å
565	E	90.4	Very high	88	Confident	81 Å²	81	60.3 Å²	60.3	38%	0.379	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-52.1	-35.7	-174.5	-175.7	177.5	-155	0	0	113.6	S563 W567 S568 T572	S563-E565 PolarHBondContact OG-N 3.48Å; E565-W567 PolarHBondContact O-N 3.4Å; E565-W567 VanDerWaalsContact O-N 3.09Å; E565-S568 PolarHBondContact O-N 3.35Å; E565-S568 VanDerWaalsContact O-N 3.13Å; E565-T572 PolarHBondContact OE1-N 3.25Å
566	E	90.8	Very high	89.3	Confident	110 Å²	110	59 Å²	59	51%	0.514	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-55.3	-25.7	177	-175.3	176.6	177.3	0	0	113.8	R486 L564	R486-E566 IonicContact CZ-OE2 3.54Å; R486-E566 IonicContact NE-OE2 3.58Å; R486-E566 PolarHBondContact NE-OE2 3.06Å; R486-E566 IonicContact NH2-OE2 2.65Å; R486-E566 PolarHBondContact NH2-OE2 2.76Å; L564-E566 PolarHBondContact O-N 3.19Å; L564-E566 VanDerWaalsContact O-N 3.09Å
567	W	92.2	Very high	90.1	Very high	22 Å²	22	59.1 Å²	59.1	8%	0.083	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-119.2	11.8	-178	-47.7	-69.6	0	0	0	112.7	R486 I489 A493 L520 F521 L564 E565	R486-W567 HydrophobicContact CG-CH2 3.7Å; R486-W567 HydrophobicContact CG-CZ2 4.27Å; I489-W567 HydrophobicContact CB-CH2 3.92Å; I489-W567 HydrophobicContact CB-CZ3 3.95Å; I489-W567 HydrophobicContact CG2-CD2 4.01Å; I489-W567 HydrophobicContact CG2-CE3 3.49Å; I489-W567 VanDerWaalsContact CG2-CE3 3.49Å; I489-W567 HydrophobicContact CG2-CH2 3.77Å; I489-W567 HydrophobicContact CG2-CZ2 4.31Å; I489-W567 HydrophobicContact CG2-CZ3 3.35Å; A493-W567 HydrophobicContact CB-CB 3.93Å; A493-W567 VanDerWaalsContact CB-CD1 3.47Å; A493-W567 HydrophobicContact CB-CD2 4.38Å; A493-W567 HydrophobicContact CB-CG 3.63Å; L520-W567 CarbonylContact C-O 3.5Å; L520-W567 WeakPolarHBondContact CA-O 3.31Å; L520-W567 WeakPolarHBondContact CD2-O 3.48Å; F521-W567 HydrophobicContact CD2-CB 3.78Å; F521-W567 HydrophobicContact CE2-CB 3.95Å; F521-W567 HydrophobicContact CE2-CE3 4.33Å; F521-W567 PolarHBondContact N-O 3.27Å; L564-W567 HydrophobicContact CD2-CE3 4.07Å; L564-W567 HydrophobicContact CD2-CZ3 3.89Å; L564-W567 PolarHBondContact O-N 3.45Å; E565-W567 PolarHBondContact O-N 3.4Å; E565-W567 VanDerWaalsContact O-N 3.09Å
568	S	92.3	Very high	90.6	Very high	22 Å²	22	54.6 Å²	54.6	15%	0.154	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-80.2	147.7	176.9	-66.4	0	0	0	0	112.3	F521 L564 E565 K570 T572	F521-S568 CarbonylContact O-C 3.59Å; F521-S568 VanDerWaalsContact O-CA 3.24Å; F521-S568 WeakPolarHBondContact O-CA 3.4Å; L564-S568 PolarHBondContact O-N 3.04Å; L564-S568 PolarHBondContact O-OG 3.46Å; E565-S568 PolarHBondContact O-N 3.35Å; E565-S568 VanDerWaalsContact O-N 3.13Å; S568-K570 WeakPolarHBondContact CB-O 3.35Å; S568-K570 PolarHBondContact O-N 3.17Å; S568-T572 PolarHBondContact OG-OG1 2.95Å
569	T	90.6	Very high	91	Very high	44 Å²	44	54.2 Å²	54.2	27%	0.27	29%	0.294	S	S	.	.	S	Bend	trans	-71.8	-16.2	174.1	62.4	0	0	0	0	113.3	V435 L520 F521 D522	V435-T569 HydrophobicContact CB-CG2 4.1Å; V435-T569 HydrophobicContact CG2-CG2 4.09Å; L520-T569 HydrophobicContact CB-CG2 3.65Å; L520-T569 HydrophobicContact CD1-CG2 4.31Å; F521-T569 PolarHBondContact O-N 3.32Å; D522-T569 WeakPolarHBondContact CA-OG1 3.32Å; D522-T569 HydrophobicContact CB-CG2 3.94Å; D522-T569 VanDerWaalsContact CG-OG1 3.25Å; D522-T569 WeakPolarHBondContact OD1-CB 3.43Å; D522-T569 PolarHBondContact OD1-OG1 3.12Å
570	K	87.5	Confident	91.3	Very high	109 Å²	109	51.8 Å²	51.8	47%	0.474	28%	0.279	S	S	.	.	S	Bend	trans	-139.3	146.1	-179.3	-56.7	171.4	-158.1	108.3	0	107.3	D522 S568 T572	D522-K570 IonicContact OD1-NZ 3.72Å; D522-K570 PolarHBondContact OD1-NZ 3.31Å; D522-K570 VanDerWaalsContact OD1-NZ 3.14Å; D522-K570 IonicContact OD2-NZ 3.58Å; D522-K570 PolarHBondContact OD2-NZ 3.14Å; S568-K570 WeakPolarHBondContact CB-O 3.35Å; S568-K570 PolarHBondContact O-N 3.17Å; K570-T572 PolarHBondContact O-N 3.02Å
571	P	82.1	Confident	91.5	Very high	117 Å²	117	49.5 Å²	49.5	76%	0.76	27%	0.267	S	S	*	.			trans	-61.9	134.8	171.9	27.5	-34.1	0	0	0	109.9
572	T	81.4	Confident	91.6	Very high	37 Å²	37	42.2 Å²	42.2	23%	0.227	24%	0.235	C	C	.	.			trans	-143	117.1	-175.2	50.9	0	0	0	0	109.4	E565 S568 K570 D574	E565-T572 PolarHBondContact OE1-N 3.25Å; S568-T572 PolarHBondContact OG-OG1 2.95Å; K570-T572 PolarHBondContact O-N 3.02Å; T572-D574 PolarHBondContact O-N 3.02Å
573	N	83.3	Confident	91.7	Very high	157 Å²	157	41.9 Å²	41.9	84%	0.84	23%	0.233	S	C	*	.			trans	-71.6	25.5	171	-66.5	-12.4	0	0	0	112.7	S575	N573-S575 PolarHBondContact O-N 3.09Å
574	D	88.4	Confident	91.6	Very high	39 Å²	39	39.1 Å²	39.1	21%	0.209	21%	0.213	C	C	.	.			trans	-74.9	109.4	-177.1	-83.5	5.4	0	0	0	109.4	T572 Y576 K784	T572-D574 PolarHBondContact O-N 3.02Å; D574-Y576 HydrophobicContact CB-CE2 4.06Å; D574-K784 VanDerWaalsContact CG-CE 3.49Å; D574-K784 WeakPolarHBondContact OD1-CE 3.33Å; D574-K784 IonicContact OD1-NZ 3.36Å; D574-K784 PolarHBondContact OD1-NZ 3.49Å; D574-K784 IonicContact OD2-NZ 2.76Å; D574-K784 PolarHBondContact OD2-NZ 2.75Å
575	S	93.9	Very high	91.6	Very high	49 Å²	49	40.8 Å²	40.8	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.2	175.5	81.4	0	0	0	0	111	N573 L785	N573-S575 PolarHBondContact O-N 3.09Å; S575-L785 PolarHBondContact O-N 2.65Å
576	Y	95.6	Very high	91.5	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.8	-175.4	-70.6	-100.9	0	0	0	111	M524 P525 I528 K561 L562 D574 K783 K784	M524-Y576 VanDerWaalsContact CB-OH 3.23Å; M524-Y576 WeakPolarHBondContact CB-OH 3.32Å; P525-Y576 WeakPolarHBondContact O-CE1 3.35Å; P525-Y576 PolarHBondContact O-OH 3.33Å; I528-Y576 HydrophobicContact CD1-CD1 3.84Å; I528-Y576 HydrophobicContact CD1-CD2 3.95Å; I528-Y576 HydrophobicContact CD1-CE1 3.55Å; I528-Y576 HydrophobicContact CD1-CE2 3.66Å; I528-Y576 HydrophobicContact CD1-CG 4.07Å; I528-Y576 VanDerWaalsContact CD1-CZ 3.49Å; I528-Y576 HydrophobicContact CG1-CD1 4.11Å; I528-Y576 HydrophobicContact CG1-CE1 3.71Å; K561-Y576 CarbonylContact C-O 3.46Å; K561-Y576 VanDerWaalsContact CA-O 3.23Å; K561-Y576 WeakPolarHBondContact CA-O 3.3Å; L562-Y576 PolarHBondContact N-O 2.92Å; L562-Y576 PolarHBondContact O-N 3.14Å; D574-Y576 HydrophobicContact CB-CE2 4.06Å; Y576-K783 CarbonylContact C-O 3.58Å; Y576-K783 VanDerWaalsContact CA-O 3.25Å; Y576-K783 WeakPolarHBondContact CA-O 3.33Å; Y576-K783 VanDerWaalsContact CD1-C 3.46Å; Y576-K784 HydrophobicContact CD1-CB 4.11Å; Y576-K784 VanDerWaalsContact CD1-N 3.3Å; Y576-K784 HydrophobicContact CE1-CB 3.69Å; Y576-K784 HydrophobicContact CE1-CG 4.24Å
577	G	95.4	Very high	90.9	Very high	12 Å²	12	37.5 Å²	37.5	12%	0.124	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.8	172.4	0	0	0	0	0	111.2	L560 F579 Y782 K783	L560-G577 WeakPolarHBondContact O-CA 3.45Å; G577-F579 PolarHBondContact O-N 3.24Å; G577-Y782 CarbonylContact O-C 3.55Å; G577-Y782 WeakPolarHBondContact O-CA 3.41Å; G577-K783 PolarHBondContact N-O 3.47Å; G577-K783 PolarHBondContact O-N 2.95Å
578	L	95.6	Very high	90.3	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	121.1	171.3	-172.9	74.7	0	0	0	108.9	T558 L560 V581 W747 F763 L780 Y782	T558-L578 HydrophobicContact CG2-CD2 4.11Å; L560-L578 HydrophobicContact CD2-CB 4.49Å; L560-L578 HydrophobicContact CD2-CD2 4.04Å; L560-L578 PolarHBondContact O-N 3.33Å; L578-V581 HydrophobicContact CD1-CG2 4Å; L578-V581 HydrophobicContact CD2-CG2 3.83Å; L578-V581 HydrophobicContact CG-CG2 4.19Å; L578-W747 HydrophobicContact CD2-CH2 4.16Å; L578-W747 HydrophobicContact CG-CH2 4.16Å; L578-F763 HydrophobicContact CD2-CE1 4.12Å; L578-F763 HydrophobicContact CD2-CZ 3.96Å; L578-L780 HydrophobicContact CD1-CB 4.11Å; L578-Y782 HydrophobicContact CB-CD1 4.07Å; L578-Y782 HydrophobicContact CB-CE1 3.71Å; L578-Y782 HydrophobicContact CD1-CD1 4.3Å; L578-Y782 HydrophobicContact CD1-CD2 4.05Å; L578-Y782 HydrophobicContact CD1-CE1 3.93Å; L578-Y782 HydrophobicContact CD1-CE2 3.66Å; L578-Y782 HydrophobicContact CD1-CG 4.36Å; L578-Y782 HydrophobicContact CG-CE1 4.42Å
579	F	95.6	Very high	89.7	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-19.5	177.4	82.4	-84	0	0	0	113.3	C102 V527 G577 V598 K599 F781 K783	C102-F579 HydrophobicContact CB-CE2 4.45Å; C102-F579 HydrophobicContact CB-CZ 4.36Å; V527-F579 HydrophobicContact CG1-CE1 3.86Å; V527-F579 HydrophobicContact CG1-CZ 4.16Å; V527-F579 HydrophobicContact CG2-CE1 4.37Å; G577-F579 PolarHBondContact O-N 3.24Å; F579-V598 CarbonylContact O-C 3.59Å; F579-V598 WeakPolarHBondContact O-CA 3.33Å; F579-K599 PolarHBondContact O-N 2.85Å; F579-F781 HydrophobicContact CD1-CB 4.2Å; F579-F781 VanDerWaalsContact CD1-O 3.25Å; F579-F781 WeakPolarHBondContact CD1-O 3.36Å; F579-F781 HydrophobicContact CE1-CB 3.6Å; F579-F781 HydrophobicContact CZ-CB 3.82Å; F579-F781 PolarHBondContact N-O 2.99Å; F579-K783 HydrophobicContact CD1-CB 3.71Å; F579-K783 HydrophobicContact CE1-CB 4.18Å; F579-K783 HydrophobicContact CG-CB 4.39Å
580	A	96.8	Very high	89	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.3	171	0	0	0	0	0	113.6	V98 S597 V598 F781	V98-A580 HydrophobicContact CB-CB 4.45Å; V98-A580 HydrophobicContact CG1-CB 3.87Å; V98-A580 HydrophobicContact CG2-CB 3.91Å; A580-S597 CarbonylContact C-O 3.55Å; A580-S597 WeakPolarHBondContact CA-O 3.47Å; A580-V598 HydrophobicContact CB-CG2 4.06Å; A580-F781 HydrophobicContact CB-CB 4.07Å; A580-F781 HydrophobicContact CB-CD2 4.24Å; A580-F781 HydrophobicContact CB-CG 4.46Å; A580-F781 PolarHBondContact N-O 3.09Å; A580-F781 PolarHBondContact O-N 3.05Å
581	V	97	Very high	88.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.6	175	175.6	0	0	0	0	108.9	L578 M583 S597 F763 L767 P777 L779 L780	L578-V581 HydrophobicContact CD1-CG2 4Å; L578-V581 HydrophobicContact CD2-CG2 3.83Å; L578-V581 HydrophobicContact CG-CG2 4.19Å; V581-M583 HydrophobicContact CG1-CG 4.22Å; V581-M583 HydrophobicContact CG1-SD 3.75Å; V581-S597 PolarHBondContact N-O 2.97Å; V581-S597 PolarHBondContact O-N 2.91Å; V581-F763 HydrophobicContact CB-CE2 4.33Å; V581-F763 HydrophobicContact CB-CZ 4.47Å; V581-F763 HydrophobicContact CG2-CE2 4.16Å; V581-F763 HydrophobicContact CG2-CZ 3.8Å; V581-L767 HydrophobicContact CG1-CD2 4.11Å; V581-L767 HydrophobicContact CG2-CD2 4.46Å; V581-P777 HydrophobicContact CG1-CB 4.05Å; V581-L779 WeakPolarHBondContact CA-O 3.26Å; V581-L780 HydrophobicContact CB-CD2 4.43Å; V581-L780 HydrophobicContact CG1-CD2 3.98Å; V581-L780 HydrophobicContact CG2-CD2 3.78Å
582	V	97.1	Very high	89.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.1	162.7	176	0	0	0	0	108.1	I95 V98 Y594 T595 Y778 L779 F781	I95-V582 HydrophobicContact CD1-CG2 4.34Å; V98-V582 HydrophobicContact CG2-CG2 3.91Å; V582-Y594 HydrophobicContact CG1-CD1 3.86Å; V582-T595 WeakPolarHBondContact CA-O 3.46Å; V582-Y778 PolarHBondContact O-N 2.92Å; V582-L779 HydrophobicContact CB-CB 4.15Å; V582-L779 PolarHBondContact N-O 3.1Å; V582-L779 PolarHBondContact O-N 3.13Å; V582-F781 HydrophobicContact CG2-CE2 4.04Å
583	M	94.1	Very high	89.7	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.9	173.3	-62	-66.5	-74.8	0	0	109.5	V581 Y594 T595 S766 L767 T776 P777	V581-M583 HydrophobicContact CG1-CG 4.22Å; V581-M583 HydrophobicContact CG1-SD 3.75Å; M583-Y594 WeakPolarHBondContact O-CA 3.44Å; M583-T595 PolarHBondContact N-O 2.69Å; M583-T595 PolarHBondContact O-N 2.75Å; M583-S766 WeakPolarHBondContact CE-O 3.34Å; M583-L767 HydrophobicContact SD-CD2 3.87Å; M583-T776 WeakPolarHBondContact CA-O 3.43Å; M583-P777 HydrophobicContact CE-CG 4.36Å; M583-P777 VanDerWaalsContact SD-CA 3.57Å; M583-P777 HydrophobicContact SD-CB 4.09Å; M583-P777 HydrophobicContact SD-CG 3.84Å
584	H	93.3	Very high	90.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.4	169.2	-179.2	-106.5	0	0	0	111.7	F535 K551 T588 H593 Y594 S775 T776 Y778	F535-H584 AromaticContact CZ-CE1 3.87Å; F535-H584 AromaticContact CZ-ND1 3.6Å; K551-H584 PolarHBondContact NZ-O 2.77Å; H584-T588 PolarHBondContact CE1-O 2.94Å; H584-T588 VanDerWaalsContact CE1-O 3.25Å; H584-H593 WeakPolarHBondContact CA-O 3.32Å; H584-H593 PolarHBondContact CD2-O 3.3Å; H584-Y594 HydrophobicContact CB-CD1 3.89Å; H584-Y594 HydrophobicContact CB-CE1 3.75Å; H584-Y594 AromaticContact CD2-CD1 3.7Å; H584-Y594 AromaticContact CD2-CD2 3.96Å; H584-Y594 AromaticContact CD2-CE1 3.46Å; H584-Y594 VanDerWaalsContact CD2-CE1 3.46Å; H584-Y594 WeakPolarHBondContact CD2-CE1 3.23Å; H584-Y594 AromaticContact CD2-CE2 3.73Å; H584-Y594 AromaticContact CD2-CG 3.97Å; H584-Y594 AromaticContact CD2-CZ 3.49Å; H584-Y594 VanDerWaalsContact CD2-CZ 3.49Å; H584-Y594 AromaticContact CG-CE1 3.77Å; H584-S775 WeakPolarHBondContact O-CA 2.96Å; H584-T776 PolarHBondContact N-O 3.11Å; H584-T776 PolarHBondContact O-N 3.1Å; H584-Y778 HydrophobicContact CB-CG 4.43Å
585	S	91.3	Very high	90.7	Very high	40 Å²	40	26.5 Å²	26.5	28%	0.28	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	93.6	179.7	-61.6	0	0	0	0	110.4	G592 H593 T774 S775	S585-G592 CarbonylContact O-C 3.59Å; S585-G592 WeakPolarHBondContact O-CA 3.4Å; S585-H593 PolarHBondContact N-O 2.8Å; S585-H593 PolarHBondContact O-N 3.5Å; S585-T774 WeakPolarHBondContact CA-O 3.49Å; S585-S775 VanDerWaalsContact OG-CB 3.29Å; S585-S775 WeakPolarHBondContact OG-CB 3.36Å; S585-S775 PolarHBondContact OG-OG 3.32Å
586	G	87.1	Confident	90.9	Very high	10 Å²	10	24.2 Å²	24.2	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	179.3	-175	0	0	0	0	0	113.8	K551 T774	K551-G586 WeakPolarHBondContact CD-O 3.45Å; G586-T774 PolarHBondContact N-O 2.87Å
587	I	78.4	Confident	91	Very high	112 Å²	112	24.3 Å²	24.3	57%	0.574	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	-16.8	-179.4	56.2	162	0	0	0	113.8	K551 T774	K551-I587 WeakPolarHBondContact CB-O 3.19Å; K551-I587 PolarHBondContact N-O 3.15Å; I587-T774 HydrophobicContact CG2-CG2 4.28Å
588	T	80.8	Confident	91	Very high	34 Å²	34	23.8 Å²	23.8	21%	0.209	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	172.1	173.5	77.5	0	0	0	0	110.1	H584 S590 S591	H584-T588 PolarHBondContact CE1-O 2.94Å; H584-T588 VanDerWaalsContact CE1-O 3.25Å; T588-S590 VanDerWaalsContact C-N 3.33Å; T588-S590 PolarHBondContact OG1-N 3.14Å; T588-S590 PolarHBondContact OG1-OG 3.45Å; T588-S591 PolarHBondContact OG1-N 3.39Å; T588-S591 PolarHBondContact OG1-OG 3.05Å
589	I	77.9	Confident	90.9	Very high	45 Å²	45	25.7 Å²	25.7	23%	0.231	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.4	174.3	-165.5	168.3	0	0	0	113	D199 F535 L549	D199-I589 HydrophobicContact CB-CD1 4.07Å; D199-I589 HydrophobicContact CB-CG1 4.41Å; F535-I589 HydrophobicContact CD1-CB 4.03Å; F535-I589 HydrophobicContact CD2-CB 4.13Å; F535-I589 HydrophobicContact CD2-CD1 3.84Å; F535-I589 HydrophobicContact CD2-CG1 4.01Å; F535-I589 HydrophobicContact CE1-CB 3.94Å; F535-I589 HydrophobicContact CE2-CB 4.03Å; F535-I589 HydrophobicContact CE2-CD1 4.08Å; F535-I589 HydrophobicContact CE2-CG1 3.8Å; F535-I589 HydrophobicContact CG-CB 4.12Å; F535-I589 HydrophobicContact CG-CD1 4.37Å; F535-I589 HydrophobicContact CG-CG1 4.49Å; F535-I589 HydrophobicContact CZ-CB 3.93Å; F535-I589 HydrophobicContact CZ-CG1 4.1Å; L549-I589 HydrophobicContact CD2-CG2 3.93Å
590	S	77.1	Confident	90.4	Very high	85 Å²	85	25.7 Å²	25.7	59%	0.594	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	6.1	-178.9	57.5	0	0	0	0	113.7	T588	T588-S590 VanDerWaalsContact C-N 3.33Å; T588-S590 PolarHBondContact OG1-N 3.14Å; T588-S590 PolarHBondContact OG1-OG 3.45Å
591	S	82.4	Confident	89.3	Confident	57 Å²	57	28.3 Å²	28.3	40%	0.399	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	113	171.6	60.6	0	0	0	0	112.6	Q197 T588	Q197-S591 VanDerWaalsContact OE1-CA 3.29Å; T588-S591 PolarHBondContact OG1-N 3.39Å; T588-S591 PolarHBondContact OG1-OG 3.05Å
592	G	88.3	Confident	87.7	Confident	29 Å²	29	31.3 Å²	31.3	30%	0.299	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-151.9	177	0	0	0	0	0	111	Q197 S585	Q197-G592 VanDerWaalsContact NE2-C 3.31Å; Q197-G592 PolarHBondContact NE2-O 3.44Å; Q197-G592 PolarHBondContact OE1-O 2.67Å; S585-G592 CarbonylContact O-C 3.59Å; S585-G592 WeakPolarHBondContact O-CA 3.4Å
593	H	94.1	Very high	86	Confident	52 Å²	52	31.6 Å²	31.6	24%	0.241	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.8	178.2	-171.1	44.3	0	0	0	110.5	C90 H584 S585 D751 D752	C90-H593 VanDerWaalsContact CB-CE1 3.41Å; C90-H593 WeakPolarHBondContact CB-CE1 3.41Å; C90-H593 VanDerWaalsContact CB-ND1 3.32Å; C90-H593 WeakPolarHBondContact CB-ND1 3.35Å; C90-H593 PolarHBondContact SG-ND1 2.99Å; H584-H593 WeakPolarHBondContact CA-O 3.32Å; H584-H593 PolarHBondContact CD2-O 3.3Å; S585-H593 PolarHBondContact N-O 2.8Å; S585-H593 PolarHBondContact O-N 3.5Å; H593-D751 IonicContact CD2-OD1 3.5Å; H593-D751 IonicContact CE1-OD1 2.78Å; H593-D751 IonicContact NE2-OD1 2.74Å; H593-D751 PolarHBondContact NE2-OD1 3.42Å; H593-D752 IonicContact CE1-OD2 2.63Å; H593-D752 PolarHBondContact CE1-OD2 2.66Å
594	Y	96.3	Very high	83.9	Confident	1 Å²	1	36 Å²	36	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.8	179	-66.5	-87.5	0	0	0	110.5	S94 Q197 H198 A200 V582 M583 H584 Y778	S94-Y594 WeakPolarHBondContact OG-CB 3.42Å; Q197-Y594 HydrophobicContact CG-CE2 4.4Å; H198-Y594 WeakPolarHBondContact O-CE2 3.46Å; H198-Y594 PolarHBondContact O-OH 2.77Å; A200-Y594 HydrophobicContact CB-CD1 3.99Å; A200-Y594 HydrophobicContact CB-CE1 3.77Å; V582-Y594 HydrophobicContact CG1-CD1 3.86Å; M583-Y594 WeakPolarHBondContact O-CA 3.44Å; H584-Y594 HydrophobicContact CB-CD1 3.89Å; H584-Y594 HydrophobicContact CB-CE1 3.75Å; H584-Y594 AromaticContact CD2-CD1 3.7Å; H584-Y594 AromaticContact CD2-CD2 3.96Å; H584-Y594 AromaticContact CD2-CE1 3.46Å; H584-Y594 VanDerWaalsContact CD2-CE1 3.46Å; H584-Y594 WeakPolarHBondContact CD2-CE1 3.23Å; H584-Y594 AromaticContact CD2-CE2 3.73Å; H584-Y594 AromaticContact CD2-CG 3.97Å; H584-Y594 AromaticContact CD2-CZ 3.49Å; H584-Y594 VanDerWaalsContact CD2-CZ 3.49Å; H584-Y594 AromaticContact CG-CE1 3.77Å; Y594-Y778 AromaticContact CE1-CD1 3.78Å; Y594-Y778 HydrophobicContact CE1-CD1 3.78Å; Y594-Y778 HydrophobicContact CE1-CE1 4.23Å
595	T	96.9	Very high	81.6	Confident	13 Å²	13	39 Å²	39	8%	0.08	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.9	175	62.1	0	0	0	0	110	V582 M583 F750 D751	V582-T595 WeakPolarHBondContact CA-O 3.46Å; M583-T595 PolarHBondContact N-O 2.69Å; M583-T595 PolarHBondContact O-N 2.75Å; T595-F750 WeakPolarHBondContact CA-O 3.33Å; T595-F750 WeakPolarHBondContact CB-O 3.34Å; T595-D751 HydrophobicContact CG2-CB 4.1Å
596	A	97.9	Very high	79.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.6	-178.6	0	0	0	0	0	110.7	Q97 V98 F750	Q97-A596 HydrophobicContact CB-CB 4.26Å; V98-A596 HydrophobicContact CG2-CB 3.96Å; A596-F750 HydrophobicContact CB-CB 4.41Å; A596-F750 PolarHBondContact N-O 2.87Å; A596-F750 PolarHBondContact O-N 2.9Å
597	S	97	Very high	77.8	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.028	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.8	168.9	-64.7	0	0	0	0	109.3	A580 V581 L748	A580-S597 CarbonylContact C-O 3.55Å; A580-S597 WeakPolarHBondContact CA-O 3.47Å; V581-S597 PolarHBondContact N-O 2.97Å; V581-S597 PolarHBondContact O-N 2.91Å; S597-L748 CarbonylContact C-O 3.51Å; S597-L748 WeakPolarHBondContact CA-O 3.27Å
598	V	95.9	Very high	76.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.9	-174.7	-178.3	0	0	0	0	110.5	V98 F101 F579 A580 W747 L748 F750	V98-V598 HydrophobicContact CG2-CG2 4.38Å; F101-V598 HydrophobicContact CB-CG1 3.52Å; F101-V598 HydrophobicContact CD1-CG1 4.38Å; F101-V598 HydrophobicContact CD2-CG1 4.07Å; F101-V598 HydrophobicContact CD2-CG2 4.45Å; F101-V598 HydrophobicContact CG-CG1 3.75Å; F579-V598 CarbonylContact O-C 3.59Å; F579-V598 WeakPolarHBondContact O-CA 3.33Å; A580-V598 HydrophobicContact CB-CG2 4.06Å; V598-W747 VanDerWaalsContact C-CE3 3.44Å; V598-W747 CarbonylContact O-C 3.53Å; V598-W747 WeakPolarHBondContact O-CA 3.34Å; V598-L748 PolarHBondContact N-O 2.81Å; V598-L748 PolarHBondContact O-N 3.09Å; V598-F750 HydrophobicContact CB-CE2 4.29Å; V598-F750 HydrophobicContact CG2-CD2 4.25Å; V598-F750 HydrophobicContact CG2-CE2 4.25Å
599	K	93.3	Very high	75.2	Confident	47 Å²	47	41.6 Å²	41.6	20%	0.204	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.9	172.9	-163.7	171.4	-173.8	165.4	0	110.1	F579 T601 G745 K746 W747 E760	F579-K599 PolarHBondContact O-N 2.85Å; K599-T601 HydrophobicContact CB-CG2 4.29Å; K599-T601 HydrophobicContact CD-CG2 4.24Å; K599-T601 HydrophobicContact CG-CG2 3.99Å; K599-T601 PolarHBondContact O-N 2.95Å; K599-G745 WeakPolarHBondContact CE-O 3.28Å; K599-K746 WeakPolarHBondContact CA-O 3.38Å; K599-W747 HydrophobicContact CB-CD2 3.83Å; K599-W747 HydrophobicContact CB-CE3 3.93Å; K599-W747 HydrophobicContact CB-CG 4.49Å; K599-W747 HydrophobicContact CB-CH2 3.86Å; K599-W747 HydrophobicContact CB-CZ2 3.77Å; K599-W747 HydrophobicContact CB-CZ3 3.95Å; K599-W747 HydrophobicContact CD-CZ2 3.83Å; K599-W747 HydrophobicContact CG-CD2 4.25Å; K599-W747 HydrophobicContact CG-CZ2 4.2Å; K599-E760 WeakPolarHBondContact CE-OE2 3.22Å; K599-E760 IonicContact NZ-OE1 2.81Å; K599-E760 IonicContact NZ-OE2 2.7Å; K599-E760 PolarHBondContact NZ-OE2 3.1Å
600	V	85.6	Confident	74.1	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.03	25%	0.251	C	S	.	.			trans	-75.5	105.9	176	-178.1	0	0	0	0	108.8	L603 Y743 G745 K746 L748	V600-L603 HydrophobicContact CG1-CD1 3.88Å; V600-L603 HydrophobicContact CG1-CD2 3.53Å; V600-L603 HydrophobicContact CG1-CG 3.71Å; V600-Y743 WeakPolarHBondContact CB-O 3.23Å; V600-G745 PolarHBondContact O-N 2.91Å; V600-K746 PolarHBondContact N-O 3.42Å; V600-L748 HydrophobicContact CG2-CD1 3.55Å; V600-L748 HydrophobicContact CG2-CG 3.77Å
601	T	74.6	Confident	73	Confident	54 Å²	54	42.7 Å²	42.7	33%	0.331	24%	0.243	S	C	.	.			trans	-126.7	132.9	-179.7	63.8	0	0	0	0	111.9	K599	K599-T601 HydrophobicContact CB-CG2 4.29Å; K599-T601 HydrophobicContact CD-CG2 4.24Å; K599-T601 HydrophobicContact CG-CG2 3.99Å; K599-T601 PolarHBondContact O-N 2.95Å
602	D	61.8	Low	71.6	Confident	64 Å²	64	41.4 Å²	41.4	34%	0.342	23%	0.231	S	C	.	.			trans	56.3	69	176.1	-172.4	17.3	0	0	0	113.5	N604 S605 E744	D602-N604 PolarHBondContact O-N 2.7Å; D602-N604 VanDerWaalsContact O-N 3.08Å; D602-N604 WeakPolarHBondContact OD1-CB 3.45Å; D602-N604 PolarHBondContact OD1-N 3.31Å; D602-N604 PolarHBondContact OD1-ND2 2.81Å; D602-S605 WeakPolarHBondContact O-CB 3.46Å; D602-S605 PolarHBondContact O-N 3.44Å; D602-S605 PolarHBondContact O-OG 3Å; D602-E744 VanDerWaalsContact CA-OE1 3.22Å; D602-E744 WeakPolarHBondContact CA-OE1 3.29Å; D602-E744 PolarHBondContact N-OE1 3.46Å
603	L	63	Low	69.8	Low	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.4	175.3	-71.4	168.7	0	0	0	113.8	V600 S605 L606 L740 K741 E744	V600-L603 HydrophobicContact CG1-CD1 3.88Å; V600-L603 HydrophobicContact CG1-CD2 3.53Å; V600-L603 HydrophobicContact CG1-CG 3.71Å; L603-S605 VanDerWaalsContact C-N 3.33Å; L603-L606 HydrophobicContact CD2-CD1 3.57Å; L603-L606 WeakPolarHBondContact O-CB 3.36Å; L603-L606 PolarHBondContact O-N 3.32Å; L603-L740 HydrophobicContact CD1-CB 4.43Å; L603-L740 WeakPolarHBondContact CD1-O 3.39Å; L603-L740 HydrophobicContact CD2-CB 4.5Å; L603-K741 HydrophobicContact CB-CG 4.36Å; L603-K741 HydrophobicContact CD1-CB 4.44Å; L603-K741 HydrophobicContact CD1-CG 4.05Å; L603-E744 HydrophobicContact CD1-CB 3.93Å; L603-E744 PolarHBondContact N-OE1 2.63Å
604	N	48.2	Very low	67.4	Low	99 Å²	99	41.7 Å²	41.7	53%	0.529	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.8	171.9	-39.6	-79.1	0	0	0	111.2	D602 L606 K741	D602-N604 PolarHBondContact O-N 2.7Å; D602-N604 VanDerWaalsContact O-N 3.08Å; D602-N604 WeakPolarHBondContact OD1-CB 3.45Å; D602-N604 PolarHBondContact OD1-N 3.31Å; D602-N604 PolarHBondContact OD1-ND2 2.81Å; N604-L606 VanDerWaalsContact C-N 3.25Å; N604-K741 WeakPolarHBondContact OD1-CE 3.39Å; N604-K741 PolarHBondContact OD1-NZ 2.87Å
605	S	46.8	Very low	65	Low	63 Å²	63	48.7 Å²	48.7	44%	0.441	27%	0.272	S	S	.	.	S	Bend	trans	-77.1	-10.2	169.7	75.4	0	0	0	0	113.6	D602 L603 E607	D602-S605 WeakPolarHBondContact O-CB 3.46Å; D602-S605 PolarHBondContact O-N 3.44Å; D602-S605 PolarHBondContact O-OG 3Å; L603-S605 VanDerWaalsContact C-N 3.33Å; S605-E607 PolarHBondContact O-N 3.12Å
606	L	51.4	Low	62.1	Low	28 Å²	28	55.5 Å²	55.5	15%	0.147	31%	0.308	C	S	.	.			trans	-78.2	70.3	167.7	-110.1	147.9	0	0	0	109.5	L603 N604 L608	L603-L606 HydrophobicContact CD2-CD1 3.57Å; L603-L606 WeakPolarHBondContact O-CB 3.36Å; L603-L606 PolarHBondContact O-N 3.32Å; N604-L606 VanDerWaalsContact C-N 3.25Å; L606-L608 HydrophobicContact CD2-CD2 4.25Å; L606-L608 HydrophobicContact CD2-CG 4.15Å; L606-L608 PolarHBondContact O-N 3.12Å
607	E	47.2	Very low	59	Low	152 Å²	152	63.5 Å²	63.5	71%	0.71	35%	0.345	S	S	*	.			trans	-65.6	72.7	164.8	-67.9	-169.8	159.8	0	0	110	S605 D609	S605-E607 PolarHBondContact O-N 3.12Å; E607-D609 PolarHBondContact O-N 3.4Å
608	L	54.2	Low	55.8	Low	16 Å²	16	71.8 Å²	71.8	8%	0.084	39%	0.386	C	S	.	.			trans	-57.1	106.1	164.9	-73.9	163.6	0	0	0	107.3	E157 L606 K610 F613 V736 V737 L740	E157-L608 HydrophobicContact CB-CD2 4.22Å; E157-L608 HydrophobicContact CG-CD2 3.92Å; L606-L608 HydrophobicContact CD2-CD2 4.25Å; L606-L608 HydrophobicContact CD2-CG 4.15Å; L606-L608 PolarHBondContact O-N 3.12Å; L608-K610 PolarHBondContact O-N 3.35Å; L608-F613 HydrophobicContact CB-CE2 3.81Å; L608-F613 HydrophobicContact CB-CZ 3.88Å; L608-F613 HydrophobicContact CD1-CZ 4.33Å; L608-V736 HydrophobicContact CD1-CG1 3.77Å; L608-V737 HydrophobicContact CD1-CG2 4.35Å; L608-L740 HydrophobicContact CD1-CD1 4.04Å
609	D	50.3	Low	52.7	Low	53 Å²	53	76.5 Å²	76.5	28%	0.283	42%	0.417	S	S	.	.			trans	-59.6	126.7	-171.2	-170.2	-18.6	0	0	0	110	K110 E607 G611 N612 F613	K110-D609 VanDerWaalsContact CE-OD2 3.31Å; K110-D609 WeakPolarHBondContact CE-OD2 3.44Å; K110-D609 IonicContact NZ-OD2 3.83Å; K110-D609 PolarHBondContact NZ-OD2 3.17Å; E607-D609 PolarHBondContact O-N 3.4Å; D609-G611 PolarHBondContact O-N 3.18Å; D609-G611 PolarHBondContact OD1-N 3.34Å; D609-N612 HydrophobicContact CB-CB 4.31Å; D609-N612 WeakPolarHBondContact O-CB 3.47Å; D609-N612 PolarHBondContact O-N 3.4Å; D609-F613 VanDerWaalsContact O-CD2 3.23Å; D609-F613 WeakPolarHBondContact O-CD2 3.38Å
610	K	54.9	Low	49.8	Very low	112 Å²	112	83.5 Å²	83.5	49%	0.487	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-53.4	-29.8	174.1	-64.5	-169.5	178.3	-177.9	0	111.6	L608 F729 E730 I733	L608-K610 PolarHBondContact O-N 3.35Å; K610-F729 WeakPolarHBondContact O-CE1 3.48Å; K610-F729 WeakPolarHBondContact O-CZ 3.34Å; K610-E730 IonicContact NZ-OE1 2.86Å; K610-E730 PolarHBondContact NZ-OE1 3.06Å; K610-I733 HydrophobicContact CB-CD1 4.19Å; K610-I733 HydrophobicContact CG-CD1 3.92Å
611	G	53.6	Low	47.5	Very low	41 Å²	41	88.1 Å²	88.1	42%	0.423	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-65.1	-36.4	172.5	0	0	0	0	0	114.4	D609 F613 V614	D609-G611 PolarHBondContact O-N 3.18Å; D609-G611 PolarHBondContact OD1-N 3.34Å; G611-F613 PolarHBondContact O-N 3.11Å; G611-F613 VanDerWaalsContact O-N 3.17Å; G611-V614 WeakPolarHBondContact O-CB 3.2Å; G611-V614 PolarHBondContact O-N 3.49Å
612	N	53.3	Low	45.5	Very low	31 Å²	31	89.1 Å²	89.1	17%	0.166	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-68.3	-16.7	-176.8	-74.3	-7.9	0	0	0	113.2	E157 D609	E157-N612 PolarHBondContact OE2-ND2 3.05Å; D609-N612 HydrophobicContact CB-CB 4.31Å; D609-N612 WeakPolarHBondContact O-CB 3.47Å; D609-N612 PolarHBondContact O-N 3.4Å
613	F	49.2	Very low	44	Very low	18 Å²	18	95.2 Å²	95.2	8%	0.079	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-88.9	-6.7	172.8	-58.2	-94.5	0	0	0	113.6	A161 L608 D609 G611 V615 F729 I733 V736	A161-F613 HydrophobicContact CB-CD1 3.67Å; A161-F613 HydrophobicContact CB-CE1 3.42Å; A161-F613 VanDerWaalsContact CB-CE1 3.42Å; A161-F613 HydrophobicContact CB-CZ 4.35Å; L608-F613 HydrophobicContact CB-CE2 3.81Å; L608-F613 HydrophobicContact CB-CZ 3.88Å; L608-F613 HydrophobicContact CD1-CZ 4.33Å; D609-F613 VanDerWaalsContact O-CD2 3.23Å; D609-F613 WeakPolarHBondContact O-CD2 3.38Å; G611-F613 PolarHBondContact O-N 3.11Å; G611-F613 VanDerWaalsContact O-N 3.17Å; F613-V615 PolarHBondContact O-N 2.96Å; F613-F729 HydrophobicContact CB-CE1 4.26Å; F613-F729 HydrophobicContact CB-CE2 3.78Å; F613-F729 HydrophobicContact CB-CZ 3.43Å; F613-F729 VanDerWaalsContact CB-CZ 3.43Å; F613-F729 WeakPolarHBondContact O-CE2 3.47Å; F613-I733 HydrophobicContact CB-CD1 4.44Å; F613-I733 HydrophobicContact CD1-CG1 4.22Å; F613-I733 HydrophobicContact CD2-CD1 3.54Å; F613-I733 HydrophobicContact CD2-CG1 3.78Å; F613-I733 HydrophobicContact CE1-CG1 4.25Å; F613-I733 HydrophobicContact CE2-CD1 3.86Å; F613-I733 HydrophobicContact CE2-CG1 3.83Å; F613-I733 HydrophobicContact CE2-CG2 4.22Å; F613-I733 HydrophobicContact CG-CD1 4.04Å; F613-I733 HydrophobicContact CG-CG1 3.99Å; F613-I733 HydrophobicContact CZ-CG1 4.07Å; F613-I733 HydrophobicContact CZ-CG2 4.35Å; F613-V736 HydrophobicContact CE1-CG1 4.23Å; F613-V736 HydrophobicContact CE1-CG2 4.27Å; F613-V736 HydrophobicContact CZ-CG1 4.19Å
614	V	44	Very low	42.5	Very low	69 Å²	69	101 Å²	101	42%	0.418	56%	0.556	S	S	.	*			trans	-83.2	92.4	179.2	-175.5	0	0	0	0	109.4	G611 D616 F729	G611-V614 WeakPolarHBondContact O-CB 3.2Å; G611-V614 PolarHBondContact O-N 3.49Å; V614-D616 PolarHBondContact O-N 3.4Å; V614-F729 HydrophobicContact CG2-CE1 4.33Å; V614-F729 HydrophobicContact CG2-CE2 4.28Å; V614-F729 HydrophobicContact CG2-CZ 3.6Å
615	V	45.7	Very low	42.2	Very low	147 Å²	147	101 Å²	101	89%	0.891	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-1.4	-175	-176.5	0	0	0	0	113.8	F613	F613-V615 PolarHBondContact O-N 2.96Å
616	D	36.9	Very low	41.6	Very low	157 Å²	157	100.4 Å²	100.4	84%	0.84	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	42.2	-164	-152.3	14.7	0	0	0	113.8	V614	V614-D616 PolarHBondContact O-N 3.4Å
617	Q	31.8	Very low	41.1	Very low	167 Å²	167	107.5 Å²	107.5	78%	0.78	59%	0.585	S	S	*	*			trans	-128.8	112.4	166.1	-166.1	159.2	30.3	0	0	111.5	C619	Q617-C619 PolarHBondContact O-N 3.25Å
618	M	31.3	Very low	40.7	Very low	179 Å²	179	103.2 Å²	103.2	88%	0.882	57%	0.567	S	S	*	*			trans	-68	92.9	177.9	-65.5	175.5	70	0	0	110.9
619	C	30	Very low	40.1	Very low	98 Å²	98	108.6 Å²	108.6	66%	0.662	59%	0.592	S	S	*	*			trans	-75.4	124.5	156	-149.2	0	0	0	0	107.5	Q617 I621	Q617-C619 PolarHBondContact O-N 3.25Å; C619-I621 HydrophobicContact CB-CD1 4.11Å; C619-I621 HydrophobicContact CB-CG1 4.12Å; C619-I621 PolarHBondContact O-N 3.34Å
620	E	32.5	Very low	39.7	Very low	195 Å²	195	112.8 Å²	112.8	91%	0.911	61%	0.61	S	S	*	*			trans	-73.7	62.3	174.6	-71.1	-164.5	139.9	0	0	111.4
621	I	36.3	Very low	39.2	Very low	101 Å²	101	112.6 Å²	112.6	52%	0.518	61%	0.61	S	S	.	*			trans	-89.8	124.1	168.4	-62.1	174.9	0	0	0	106.5	C619 K623	C619-I621 HydrophobicContact CB-CD1 4.11Å; C619-I621 HydrophobicContact CB-CG1 4.12Å; C619-I621 PolarHBondContact O-N 3.34Å; I621-K623 PolarHBondContact O-N 3.16Å; I621-K623 VanDerWaalsContact O-N 3.1Å
622	G	32.5	Very low	38.7	Very low	75 Å²	75	112.6 Å²	112.6	77%	0.773	61%	0.607	S	S	*	*	S	Bend	trans	-64	110.6	-162.5	0	0	0	0	0	114.5
623	K	30.1	Very low	38.1	Very low	193 Å²	193	119.6 Å²	119.6	84%	0.839	63%	0.631	S	S	*	*			trans	59	122.8	176.4	-63.5	-175.7	177.7	-177.1	0	115	I621	I621-K623 PolarHBondContact O-N 3.16Å; I621-K623 VanDerWaalsContact O-N 3.1Å
624	P	31.4	Very low	37.4	Very low	126 Å²	126	121.9 Å²	121.9	82%	0.818	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-60.3	140.7	163.6	28	-33.5	0	0	0	109.6
625	E	43.1	Very low	37.1	Very low	101 Å²	101	124.5 Å²	124.5	47%	0.472	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-70.9	133.8	-179.2	-161.2	168.6	-177.8	0	0	109.8	R179 L627	R179-E625 WeakPolarHBondContact CB-OE1 3.5Å; R179-E625 WeakPolarHBondContact CD-OE1 3.09Å; R179-E625 IonicContact NH1-OE1 2.69Å; E625-L627 PolarHBondContact O-N 3.3Å
626	P	34.5	Very low	36.8	Very low	50 Å²	50	123.3 Å²	123.3	33%	0.325	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-63.2	134.5	-172	22.1	-33.1	0	0	0	112.5	N628 E631	P626-N628 VanDerWaalsContact C-N 3.31Å; P626-N628 PolarHBondContact O-N 3.16Å; P626-E631 HydrophobicContact CB-CB 3.54Å; P626-E631 HydrophobicContact CB-CG 4.41Å; P626-E631 VanDerWaalsContact CB-OE2 3.25Å; P626-E631 WeakPolarHBondContact CB-OE2 3.38Å; P626-E631 HydrophobicContact CG-CB 4.39Å
627	L	40.9	Very low	36.7	Very low	176 Å²	176	123.7 Å²	123.7	92%	0.921	67%	0.665	S	S	*	*	S	Bend	trans	-86.7	8.5	-172.2	-69.9	172.8	0	0	0	114	E625	E625-L627 PolarHBondContact O-N 3.3Å
628	N	39.1	Very low	36.7	Very low	63 Å²	63	122.5 Å²	122.5	34%	0.337	66%	0.664	S	S	.	*	S	Bend	trans	-144.7	170.9	-179.1	63	58.2	0	0	0	112.9	P626 E630 E631	P626-N628 VanDerWaalsContact C-N 3.31Å; P626-N628 PolarHBondContact O-N 3.16Å; N628-E630 WeakPolarHBondContact CB-OE2 3.19Å; N628-E630 PolarHBondContact OD1-N 2.95Å; N628-E631 PolarHBondContact ND2-OE2 2.88Å; N628-E631 WeakPolarHBondContact OD1-CB 3.47Å; N628-E631 WeakPolarHBondContact OD1-CG 3.36Å; N628-E631 PolarHBondContact OD1-N 3.31Å
629	E	40.8	Very low	36.7	Very low	129 Å²	129	125.6 Å²	125.6	60%	0.603	67%	0.667	S	S	*	*	H	α-helix	trans	-84.7	-18.1	-176.2	-148.1	-166.2	121.4	0	0	112.6	R633	E629-R633 WeakPolarHBondContact O-CD 3.35Å; E629-R633 WeakPolarHBondContact O-CG 3.39Å; E629-R633 PolarHBondContact O-NE 2.95Å; E629-R633 IonicContact OE1-CZ 2.65Å; E629-R633 IonicContact OE1-NE 2.75Å; E629-R633 IonicContact OE1-NH2 2.74Å; E629-R633 PolarHBondContact OE1-NH2 3.12Å
630	E	42.6	Very low	36.6	Very low	141 Å²	141	127.9 Å²	127.9	66%	0.659	67%	0.673	S	S	*	*	H	α-helix	trans	-74.6	-45.7	177.5	-66	87.5	168.5	0	0	112.7	N628 A632 R633 G634	N628-E630 WeakPolarHBondContact CB-OE2 3.19Å; N628-E630 PolarHBondContact OD1-N 2.95Å; E630-A632 VanDerWaalsContact C-N 3.29Å; E630-A632 PolarHBondContact O-N 2.78Å; E630-R633 WeakPolarHBondContact O-CB 3.47Å; E630-R633 PolarHBondContact O-N 2.92Å; E630-G634 PolarHBondContact O-N 3.2Å
631	E	44.2	Very low	36.5	Very low	107 Å²	107	126.4 Å²	126.4	50%	0.5	67%	0.671	S	S	.	*	H	α-helix	trans	-64.2	-35	179.7	-75.9	178.6	145.3	0	0	111.7	P626 N628 R633 G634	P626-E631 HydrophobicContact CB-CB 3.54Å; P626-E631 HydrophobicContact CB-CG 4.41Å; P626-E631 VanDerWaalsContact CB-OE2 3.25Å; P626-E631 WeakPolarHBondContact CB-OE2 3.38Å; P626-E631 HydrophobicContact CG-CB 4.39Å; N628-E631 PolarHBondContact ND2-OE2 2.88Å; N628-E631 WeakPolarHBondContact OD1-CB 3.47Å; N628-E631 WeakPolarHBondContact OD1-CG 3.36Å; N628-E631 PolarHBondContact OD1-N 3.31Å; E631-R633 PolarHBondContact O-N 3.19Å; E631-G634 PolarHBondContact O-N 3.4Å; E631-G634 VanDerWaalsContact O-N 3.08Å
632	A	42.8	Very low	36.3	Very low	42 Å²	42	129.2 Å²	129.2	35%	0.347	68%	0.682	S	S	.	*	H	α-helix	trans	-60.3	-30.9	173.4	0	0	0	0	0	112.9	E630 G634	E630-A632 VanDerWaalsContact C-N 3.29Å; E630-A632 PolarHBondContact O-N 2.78Å; A632-G634 VanDerWaalsContact C-N 3.35Å
633	R	40.9	Very low	36.2	Very low	177 Å²	177	134 Å²	134	67%	0.668	69%	0.685	S	S	*	*	H	α-helix	trans	-78.5	-19.4	177.6	-63.5	162.6	-177.7	-90.7	4.4	112.5	E629 E630 E631 V635	E629-R633 WeakPolarHBondContact O-CD 3.35Å; E629-R633 WeakPolarHBondContact O-CG 3.39Å; E629-R633 PolarHBondContact O-NE 2.95Å; E629-R633 IonicContact OE1-CZ 2.65Å; E629-R633 IonicContact OE1-NE 2.75Å; E629-R633 IonicContact OE1-NH2 2.74Å; E629-R633 PolarHBondContact OE1-NH2 3.12Å; E630-R633 WeakPolarHBondContact O-CB 3.47Å; E630-R633 PolarHBondContact O-N 2.92Å; E631-R633 PolarHBondContact O-N 3.19Å; R633-V635 VanDerWaalsContact C-N 3.33Å
634	G	35.2	Very low	36.2	Very low	66 Å²	66	130.6 Å²	130.6	68%	0.68	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-5	178.4	0	0	0	0	0	115.4	E630 E631 A632	E630-G634 PolarHBondContact O-N 3.2Å; E631-G634 PolarHBondContact O-N 3.4Å; E631-G634 VanDerWaalsContact O-N 3.08Å; A632-G634 VanDerWaalsContact C-N 3.35Å
635	V	36.4	Very low	36.1	Very low	124 Å²	124	129.3 Å²	129.3	75%	0.752	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-10.3	-177.2	-177.7	0	0	0	0	112.6	R633	R633-V635 VanDerWaalsContact C-N 3.33Å
636	V	40.4	Very low	35.2	Very low	123 Å²	123	131.9 Å²	131.9	75%	0.745	69%	0.689	S	S	*	*			trans	-102.9	80.8	-176.7	-170.5	0	0	0	0	111.2
637	E	34.6	Very low	34.9	Very low	165 Å²	165	140.8 Å²	140.8	77%	0.771	72%	0.716	S	S	*	*			trans	-121.1	134.1	159.3	-74.4	-159.1	155.7	0	0	110.7
638	N	31.7	Very low	34.3	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	72%	0.715	S	S	*	*			trans	66.7	67.9	168.2	-46.9	-59.7	0	0	0	117.2
639	Y	30.7	Very low	33.6	Very low	245 Å²	245	140.1 Å²	140.1	96%	0.961	74%	0.737	S	S	*	*			trans	-111.1	131.4	134.2	-99.2	-100.1	0	0	0	108.2
640	D	27.7	Very low	32.9	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	75%	0.745	S	S	*	*			trans	-107.2	124.7	-172.6	-159.7	-1.1	0	0	0	109.4	E642	D640-E642 VanDerWaalsContact C-N 3.27Å; D640-E642 PolarHBondContact O-N 3.03Å
641	D	31.3	Very low	32.1	Very low	164 Å²	164	138.5 Å²	138.5	88%	0.877	76%	0.755	S	S	*	*			trans	-79.1	71.5	-178.3	-93.6	-33.3	0	0	0	110.4	E643	D641-E643 PolarHBondContact O-N 3.13Å
642	E	31.4	Very low	31.3	Very low	161 Å²	161	139.9 Å²	139.9	75%	0.752	77%	0.771	S	S	*	*			trans	-68.8	90.4	172.8	-79.6	-149.6	132.4	0	0	111.5	D640 V644	D640-E642 VanDerWaalsContact C-N 3.27Å; D640-E642 PolarHBondContact O-N 3.03Å; E642-V644 WeakPolarHBondContact O-CG2 3.43Å; E642-V644 PolarHBondContact O-N 3.49Å
643	E	31.1	Very low	30.4	Very low	176 Å²	176	146 Å²	146	82%	0.822	79%	0.792	S	S	*	*			trans	-56.6	101	158.4	-84.2	-157	138	0	0	109.7	D641 S645	D641-E643 PolarHBondContact O-N 3.13Å; E643-S645 PolarHBondContact O-N 2.93Å
644	V	28.7	Very low	30.3	Very low	121 Å²	121	142.4 Å²	142.4	73%	0.733	79%	0.791	S	S	*	*			trans	-71.1	72.6	178.6	-171.2	0	0	0	0	111.5	E642 I646	E642-V644 WeakPolarHBondContact O-CG2 3.43Å; E642-V644 PolarHBondContact O-N 3.49Å; V644-I646 HydrophobicContact CG1-CG1 4.36Å; V644-I646 PolarHBondContact O-N 3.39Å
645	S	30	Very low	29.9	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	80%	0.797	S	S	*	*			trans	-74.6	83.8	175.5	-96.7	0	0	0	0	111.3	E643 R647	E643-S645 PolarHBondContact O-N 2.93Å; S645-R647 PolarHBondContact O-N 3.28Å; S645-R647 VanDerWaalsContact O-N 3.09Å
646	I	24.6	Very low	29.4	Very low	154 Å²	154	148.2 Å²	148.2	79%	0.79	80%	0.803	S	S	*	*			trans	-55.8	112.6	177.4	-57.2	172.8	0	0	0	111.2	V644	V644-I646 HydrophobicContact CG1-CG1 4.36Å; V644-I646 PolarHBondContact O-N 3.39Å
647	R	27.9	Very low	28.7	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	80%	0.8	S	S	*	*			trans	-136.4	141.9	158.6	-69.2	-167.2	-170.5	-110.7	-2.4	112.5	S645	S645-R647 PolarHBondContact O-N 3.28Å; S645-R647 VanDerWaalsContact O-N 3.09Å
648	V	27.4	Very low	28.3	Very low	148 Å²	148	146.7 Å²	146.7	90%	0.897	80%	0.798	S	S	*	*			trans	-64.2	139.6	179.7	176.6	0	0	0	0	110.7
649	G	24.2	Very low	28.1	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	80%	0.799	S	S	*	*			trans	-69.5	155.2	-175.1	0	0	0	0	0	115.3
650	G	26.6	Very low	28.2	Very low	76 Å²	76	143.1 Å²	143.1	78%	0.784	79%	0.788	S	S	*	*			trans	-157.7	143.2	171.1	0	0	0	0	0	109.7
651	N	25.8	Very low	28.3	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	79%	0.793	S	S	*	*			trans	-67.2	165.2	-171.7	-72.3	-10.8	0	0	0	114.1
652	T	27.2	Very low	27.9	Very low	137 Å²	137	143.5 Å²	143.5	84%	0.84	78%	0.781	S	S	*	*			trans	111.2	96.3	146.7	-39.1	0	0	0	0	116.7
653	Q	24.3	Very low	27.7	Very low	170 Å²	170	142 Å²	142	79%	0.794	78%	0.782	S	S	*	*			trans	-77.4	165	146.6	-78.7	-82	1.3	0	0	109.9
654	P	38.8	Very low	27.5	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	78%	0.781	S	S	*	*			cis	-128.8	178.3	-18.1	40.2	-26.4	0	0	0	112.6
655	S	26.5	Very low	27.3	Very low	115 Å²	115	140 Å²	140	80%	0.804	78%	0.778	S	S	*	*				173.2	114.3	125.4	41.1	0	0	0	0	116.4
656	K	26.8	Very low	27.4	Very low	198 Å²	198	143.5 Å²	143.5	86%	0.861	79%	0.788	S	S	*	*				17.2	142.7	126.7	-81.1	-179	178.3	177.9	0	122
657	V	25.8	Very low	27.5	Very low	114 Å²	114	139 Å²	139	69%	0.691	78%	0.779	S	S	*	*			trans	92	109.2	134.7	163.1	0	0	0	0	119.8
658	L	25.7	Very low	27.7	Very low	141 Å²	141	135.5 Å²	135.5	74%	0.738	78%	0.777	S	S	*	*			trans	62.2	157.7	142	-83.7	54.6	0	0	0	119.2
659	N	27.2	Very low	28	Very low	143 Å²	143	135.5 Å²	135.5	77%	0.765	77%	0.772	S	S	*	*			cis	-145.2	166.7	5.9	-141.4	-21	0	0	0	114.6
660	K	32.5	Very low	28.3	Very low	169 Å²	169	135.1 Å²	135.1	74%	0.735	77%	0.768	S	S	*	*			trans	-85	134.6	-178.8	178.3	-178.8	-175.7	175.4	0	113.1
661	K	29.6	Very low	28.5	Very low	200 Å²	200	134.7 Å²	134.7	87%	0.87	76%	0.763	S	S	*	*			trans	-172.1	142.9	153.2	-101.8	166.2	-176.3	-178.2	0	107.6
662	N	24.2	Very low	28.9	Very low	117 Å²	117	134.7 Å²	134.7	63%	0.626	76%	0.758	S	S	*	*			cis	149.9	136.9	-18.5	-102.7	17.3	0	0	0	104.7
663	V	26.6	Very low	29.3	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	76%	0.755	S	S	*	*			trans	69.3	140.7	-179.6	-168	0	0	0	0	111.7
664	E	26.2	Very low	29.7	Very low	172 Å²	172	134 Å²	134	80%	0.804	76%	0.756	S	S	*	*			cis	-128.3	134.9	12.4	-132.6	138.8	-134.9	0	0	107.6
665	A	24.5	Very low	29.4	Very low	81 Å²	81	138.9 Å²	138.9	67%	0.669	77%	0.766	S	S	*	*				59.1	85.7	62.3	0	0	0	0	0	114.7
666	I	32.7	Very low	29.5	Very low	173 Å²	173	137.5 Å²	137.5	89%	0.887	76%	0.762	S	S	*	*			trans	-159.6	110.4	131.1	-94.1	147.7	0	0	0	106.9
667	G	27.6	Very low	29.6	Very low	59 Å²	59	135.1 Å²	135.1	61%	0.608	76%	0.758	S	S	*	*			trans	-103.7	-144.8	158.8	0	0	0	0	0	108.8
668	L	30.3	Very low	29.6	Very low	164 Å²	164	139 Å²	139	86%	0.859	76%	0.762	S	S	*	*			trans	73.6	132	174.3	-53	176.4	0	0	0	113.7
669	L	34.6	Very low	29.6	Very low	148 Å²	148	138.4 Å²	138.4	78%	0.775	76%	0.756	S	S	*	*			cis	-141.5	158.4	-4	-89.4	134	0	0	0	107.8
670	G	29.9	Very low	29.6	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	76%	0.758	S	S	*	*			cis	99.2	138.5	16.8	0	0	0	0	0	111.3
671	G	31.3	Very low	29.2	Very low	66 Å²	66	141.2 Å²	141.2	68%	0.68	76%	0.763	S	S	*	*			cis	156.7	-161.9	-2.6	0	0	0	0	0	110.4
672	Q	34.4	Very low	29	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	76%	0.759	S	S	*	*			trans	71	153.4	159.6	-60.9	-176.1	13.8	0	0	116.6
673	K	36.3	Very low	29	Very low	178 Å²	178	143.3 Å²	143.3	77%	0.774	77%	0.774	S	S	*	*			cis	-154.2	176	0.2	-121.2	159.2	-175.8	159.3	0	107.1
674	S	32.2	Very low	29	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	78%	0.775	S	S	*	*			cis	-146.7	177.9	20.5	54.1	0	0	0	0	113.4
675	K	31.9	Very low	29	Very low	203 Å²	203	139.4 Å²	139.4	88%	0.883	78%	0.777	S	S	*	*			trans	-149.5	153.9	175.3	-158.7	-171.8	-172.8	-169	0	108.1
676	A	29.5	Very low	29	Very low	86 Å²	86	143.3 Å²	143.3	71%	0.711	79%	0.787	S	S	*	*			trans	-166.3	153.9	165.4	0	0	0	0	0	109
677	D	28.7	Very low	29.8	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	78%	0.776	S	S	*	*			cis	-166.2	176.3	-36	-109.1	-29.7	0	0	0	109
678	Y	25.8	Very low	29.7	Very low	197 Å²	197	143.9 Å²	143.9	77%	0.773	78%	0.784	S	S	*	*			trans	74.2	145.4	159.7	-122.4	-111.7	0	0	0	118.8
679	E	26	Very low	29.6	Very low	128 Å²	128	145.1 Å²	145.1	60%	0.598	78%	0.782	S	S	*	*			cis	-154.5	164.2	-43.9	-153.9	169.4	-119.9	0	0	109
680	L	27.7	Very low	29.3	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	78%	0.782	S	S	*	*			trans	-110.6	131.7	177.4	-100.9	167.4	0	0	0	111.2
681	Y	22.7	Very low	29.1	Very low	213 Å²	213	144.8 Å²	144.8	84%	0.835	78%	0.781	S	S	*	*			trans	-117.6	119.2	169.5	-120	-82.1	0	0	0	112
682	N	26.8	Very low	28.8	Very low	147 Å²	147	146.6 Å²	146.6	79%	0.786	78%	0.783	S	S	*	*			trans	-84.6	146.1	176.9	-81.2	-60.1	0	0	0	112.1
683	K	23.8	Very low	28.4	Very low	214 Å²	214	145.2 Å²	145.2	93%	0.93	79%	0.785	S	S	*	*			trans	-153.1	140.4	147.6	-119.3	174.9	-176.4	178	0	110.4
684	A	26.3	Very low	27.9	Very low	100 Å²	100	140.9 Å²	140.9	83%	0.826	78%	0.783	S	S	*	*			trans	-135.3	138.6	-176.4	0	0	0	0	0	111.1
685	S	26.2	Very low	27.6	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	79%	0.788	S	S	*	*			trans	-163.7	109.1	165.9	54	0	0	0	0	111.3
686	N	25	Very low	27.3	Very low	163 Å²	163	139.9 Å²	139.9	87%	0.872	78%	0.781	S	S	*	*			trans	-88.4	175.2	160.9	-87.4	-17.3	0	0	0	109.5
687	P	49.2	Very low	27.1	Very low	101 Å²	101	143.8 Å²	143.8	66%	0.656	79%	0.785	S	S	*	*			cis	-128.8	179.6	-21.7	35.8	-18.6	0	0	0	112.9
688	D	25.2	Very low	26.9	Very low	143 Å²	143	142.5 Å²	142.5	77%	0.765	78%	0.778	S	S	*	*				177.6	113.5	114.1	-100.9	-28.4	0	0	0	115.9
689	K	28.5	Very low	27	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	78%	0.784	S	S	*	*				43.6	137.9	118.5	-123.6	175.8	-171.6	176.1	0	123.6
690	V	27.7	Very low	27.1	Very low	128 Å²	128	144.4 Å²	144.4	78%	0.776	79%	0.787	S	S	*	*			trans	94.9	86.5	154.2	-166.9	0	0	0	0	119.6
691	A	25.9	Very low	27.2	Very low	84 Å²	84	142.9 Å²	142.9	69%	0.694	79%	0.79	S	S	*	*				53.6	136	117	0	0	0	0	0	124.7
692	S	24.4	Very low	27.5	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	79%	0.786	S	S	*	*			trans	99.2	125.5	134.2	-67.7	0	0	0	0	122.9
693	T	26.3	Very low	27.6	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	79%	0.788	S	S	*	*			trans	70.8	114.9	137.5	52.7	0	0	0	0	123.4
694	A	26.6	Very low	27.7	Very low	87 Å²	87	135.6 Å²	135.6	72%	0.719	78%	0.775	S	S	*	*				85.1	140.8	122.8	0	0	0	0	0	122.3
695	F	24.5	Very low	27.8	Very low	208 Å²	208	136.9 Å²	136.9	91%	0.912	77%	0.768	S	S	*	*			trans	-12.3	140.8	157	-52.3	-94.6	0	0	0	116.6
696	A	26	Very low	28	Very low	90 Å²	90	138.2 Å²	138.2	74%	0.744	77%	0.771	S	S	*	*				-173.2	154.8	59	0	0	0	0	0	114.9
697	E	24.9	Very low	28.3	Very low	168 Å²	168	138.1 Å²	138.1	79%	0.785	77%	0.771	S	S	*	*			trans	38.1	140.1	141.2	-66.5	-167	-173.9	0	0	125.9
698	N	25.3	Very low	27.3	Very low	120 Å²	120	137.2 Å²	137.2	64%	0.642	78%	0.78	S	S	*	*			trans	62.6	119.6	138.3	-74.9	-43.6	0	0	0	121.2
699	R	28.7	Very low	27.4	Very low	241 Å²	241	135.8 Å²	135.8	91%	0.909	78%	0.776	S	S	*	*				-168.4	149.7	99.8	-104.2	172.9	-175.1	-158.5	-1.3	116.7
700	N	27.1	Very low	27.5	Very low	124 Å²	124	136 Å²	136	66%	0.663	78%	0.78	S	S	*	*			trans	-60.7	165.8	-176.6	-43	-5.1	0	0	0	115.8
701	S	30.8	Very low	27.6	Very low	124 Å²	124	138 Å²	138	87%	0.867	78%	0.78	S	S	*	*			trans	-133	122.3	145.6	60.1	0	0	0	0	109.1
702	E	27.8	Very low	27.7	Very low	162 Å²	162	139.7 Å²	139.7	76%	0.757	79%	0.788	S	S	*	*			trans	-100	153.5	-178.7	-59.5	165	130.7	0	0	111.5
703	T	29	Very low	27.9	Very low	134 Å²	134	140.5 Å²	140.5	82%	0.822	78%	0.784	S	S	*	*			trans	-160.6	116	141.7	15.3	0	0	0	0	112.9
704	N	27.2	Very low	28.1	Very low	126 Å²	126	143.5 Å²	143.5	67%	0.674	78%	0.78	S	S	*	*			trans	21.2	148.5	130.6	-52.6	67	0	0	0	120
705	D	28	Very low	28.1	Very low	127 Å²	127	146.5 Å²	146.5	68%	0.679	78%	0.784	S	S	*	*			cis	-175	147.4	-10.9	-101.7	-33.4	0	0	0	108.5
706	T	30.8	Very low	28.4	Very low	148 Å²	148	144.7 Å²	144.7	91%	0.908	78%	0.776	S	S	*	*			trans	-174.2	147.2	138.6	11.2	0	0	0	0	112.2
707	N	29.9	Very low	28.4	Very low	162 Å²	162	147.9 Å²	147.9	87%	0.866	78%	0.775	S	S	*	*			trans	-97	153	-170.7	-71.8	-57.1	0	0	0	114.4
708	G	27.9	Very low	28.8	Very low	81 Å²	81	145.3 Å²	145.3	84%	0.835	78%	0.776	S	S	*	*			trans	-164.7	93.2	168.5	0	0	0	0	0	111.9
709	T	28.4	Very low	28.9	Very low	113 Å²	113	144.7 Å²	144.7	69%	0.693	78%	0.781	S	S	*	*			trans	-95.1	136.3	-164.7	-40.8	0	0	0	0	114
710	H	30.5	Very low	28.9	Very low	193 Å²	193	140.2 Å²	140.2	89%	0.894	78%	0.775	S	S	*	*			trans	-162.2	144.9	134.7	-119.3	-77.5	0	0	0	112.5
711	E	29.4	Very low	29	Very low	170 Å²	170	143 Å²	143	79%	0.794	79%	0.785	S	S	*	*			trans	-103.4	152.7	-173.6	-55.6	170.4	112.2	0	0	113.1
712	S	28.5	Very low	29.2	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	79%	0.785	S	S	*	*				177.6	106.6	115.6	34.8	0	0	0	0	115.4
713	D	28.7	Very low	29.5	Very low	121 Å²	121	139.1 Å²	139.1	65%	0.647	78%	0.779	S	S	*	*			trans	39.6	125.7	141	-98.4	-22.4	0	0	0	125.2
714	R	30.4	Very low	30	Very low	194 Å²	194	137.8 Å²	137.8	73%	0.732	77%	0.771	S	S	*	*			trans	66.5	117.7	137.6	-63.9	170.5	-144.4	-169.4	18.6	119.4
715	N	26.5	Very low	30.6	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	78%	0.775	S	S	*	*				-168.7	174	60.6	-102.6	-37.9	0	0	0	114.1
716	K	29.7	Very low	31.4	Very low	170 Å²	170	138.3 Å²	138.3	74%	0.739	77%	0.772	S	S	*	*			trans	-43.3	156	160.2	-64.6	169.6	105.9	-144.6	0	111.7
717	E	26	Very low	32.1	Very low	156 Å²	156	135 Å²	135	73%	0.729	76%	0.755	S	S	*	*			cis	-159.1	-178.9	42.1	-143	134.2	-122.8	0	0	112.4
718	S	34.2	Very low	33.3	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	73%	0.732	S	S	*	*			trans	-100.9	133.7	-171.7	54.5	0	0	0	0	114.4
719	S	27.7	Very low	34.6	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	71%	0.705	S	S	*	*			trans	-151.9	117.6	164.9	62.1	0	0	0	0	113.4
720	D	29.5	Very low	36.1	Very low	148 Å²	148	127 Å²	127	79%	0.791	69%	0.692	S	S	*	*			trans	28.1	119.9	147.4	-49.3	-28.3	0	0	0	121.1
721	Q	29.3	Very low	37.7	Very low	183 Å²	183	123.5 Å²	123.5	86%	0.855	68%	0.68	S	S	*	*			trans	-125.5	74	158.4	-74.3	-165.5	-1.6	0	0	111.8
722	T	34.1	Very low	39.6	Very low	141 Å²	141	120.9 Å²	120.9	87%	0.865	67%	0.666	S	S	*	*			trans	-106.5	40.1	173.1	33.9	0	0	0	0	112.2
723	G	33.3	Very low	41.5	Very low	62 Å²	62	116 Å²	116	64%	0.639	63%	0.63	S	S	*	*			trans	-125.1	4.6	-168.4	0	0	0	0	0	118.2
724	V	39.3	Very low	43.4	Very low	107 Å²	107	113.9 Å²	113.9	65%	0.648	63%	0.625	S	S	*	*	S	Bend	trans	-107.4	-24	-161.3	-175.6	0	0	0	0	115.6
725	N	40.2	Very low	45.5	Very low	144 Å²	144	111.3 Å²	111.3	77%	0.77	62%	0.616	S	S	*	*	S	Bend	trans	-90.7	-8.5	-169.9	-88.3	-11.1	0	0	0	116.8
726	I	45.3	Very low	47.7	Very low	120 Å²	120	104.3 Å²	104.3	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-67.4	-43.8	-173.6	-60.9	175.2	0	0	0	111.8	G728 F729 E730	I726-G728 PolarHBondContact O-N 3.41Å; I726-F729 WeakPolarHBondContact O-CB 3.36Å; I726-F729 PolarHBondContact O-N 3.29Å; I726-F729 VanDerWaalsContact O-N 3.07Å; I726-E730 PolarHBondContact O-N 2.93Å
727	S	44.6	Very low	49.8	Very low	78 Å²	78	98 Å²	98	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-37.7	-178	54.6	0	0	0	0	113.2	F729 N731	S727-F729 PolarHBondContact O-N 3.15Å; S727-N731 VanDerWaalsContact O-CG 3.24Å; S727-N731 PolarHBondContact O-N 2.81Å; S727-N731 PolarHBondContact O-ND2 3.43Å
728	G	54.9	Low	52.2	Low	38 Å²	38	96.2 Å²	96.2	39%	0.392	55%	0.546	S	S	.	.	H	α-helix	trans	-67.9	-18.8	175.3	0	0	0	0	0	114	I726 K732	I726-G728 PolarHBondContact O-N 3.41Å; G728-K732 WeakPolarHBondContact O-CG 3.49Å
729	F	56.1	Low	54.3	Low	60 Å²	60	91.9 Å²	91.9	26%	0.263	52%	0.516	S	S	.	.	H	α-helix	trans	-87	-45.3	179.3	-169.1	-101.5	0	0	0	111.6	K610 F613 V614 I726 S727 N731 K732 I733	K610-F729 WeakPolarHBondContact O-CE1 3.48Å; K610-F729 WeakPolarHBondContact O-CZ 3.34Å; F613-F729 HydrophobicContact CB-CE1 4.26Å; F613-F729 HydrophobicContact CB-CE2 3.78Å; F613-F729 HydrophobicContact CB-CZ 3.43Å; F613-F729 VanDerWaalsContact CB-CZ 3.43Å; F613-F729 WeakPolarHBondContact O-CE2 3.47Å; V614-F729 HydrophobicContact CG2-CE1 4.33Å; V614-F729 HydrophobicContact CG2-CE2 4.28Å; V614-F729 HydrophobicContact CG2-CZ 3.6Å; I726-F729 WeakPolarHBondContact O-CB 3.36Å; I726-F729 PolarHBondContact O-N 3.29Å; I726-F729 VanDerWaalsContact O-N 3.07Å; S727-F729 PolarHBondContact O-N 3.15Å; F729-N731 VanDerWaalsContact C-N 3.31Å; F729-N731 PolarHBondContact O-N 3.21Å; F729-K732 WeakPolarHBondContact O-CB 3.41Å; F729-K732 PolarHBondContact O-N 2.9Å; F729-K732 VanDerWaalsContact O-N 3.08Å; F729-I733 HydrophobicContact CD1-CD1 3.92Å; F729-I733 HydrophobicContact CE1-CD1 3.68Å; F729-I733 HydrophobicContact CZ-CD1 4.41Å; F729-I733 PolarHBondContact O-N 3.2Å; F729-I733 VanDerWaalsContact O-N 3.11Å
730	E	59.7	Low	56.9	Low	91 Å²	91	87 Å²	87	43%	0.425	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-35.8	177	-59.6	-160.8	115.8	0	0	112.2	K610 I726 K732 I733 S734	K610-E730 IonicContact NZ-OE1 2.86Å; K610-E730 PolarHBondContact NZ-OE1 3.06Å; I726-E730 PolarHBondContact O-N 2.93Å; E730-K732 VanDerWaalsContact C-N 3.29Å; E730-K732 PolarHBondContact O-N 3.03Å; E730-I733 PolarHBondContact O-N 3Å; E730-S734 WeakPolarHBondContact O-CB 3.43Å; E730-S734 PolarHBondContact O-N 3.41Å
731	N	65.3	Low	59.3	Low	118 Å²	118	83.2 Å²	83.2	63%	0.631	46%	0.458	S	S	*	.	H	α-helix	trans	-60.2	-36.5	171.5	-72	-16.4	0	0	0	112.8	S727 F729 Y735	S727-N731 VanDerWaalsContact O-CG 3.24Å; S727-N731 PolarHBondContact O-N 2.81Å; S727-N731 PolarHBondContact O-ND2 3.43Å; F729-N731 VanDerWaalsContact C-N 3.31Å; F729-N731 PolarHBondContact O-N 3.21Å; N731-Y735 WeakPolarHBondContact O-CB 3.31Å; N731-Y735 PolarHBondContact O-N 3.01Å
732	K	69.1	Low	62	Low	115 Å²	115	80.8 Å²	80.8	50%	0.5	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-43.3	176.9	-80.6	175.2	178.2	-177.5	0	112.2	L165 G728 F729 E730 S734 Y735 V736	L165-K732 HydrophobicContact CD2-CB 3.88Å; L165-K732 HydrophobicContact CD2-CD 4.02Å; L165-K732 HydrophobicContact CD2-CG 3.86Å; G728-K732 WeakPolarHBondContact O-CG 3.49Å; F729-K732 WeakPolarHBondContact O-CB 3.41Å; F729-K732 PolarHBondContact O-N 2.9Å; F729-K732 VanDerWaalsContact O-N 3.08Å; E730-K732 VanDerWaalsContact C-N 3.29Å; E730-K732 PolarHBondContact O-N 3.03Å; K732-S734 VanDerWaalsContact C-N 3.34Å; K732-Y735 PolarHBondContact O-N 3.43Å; K732-V736 WeakPolarHBondContact O-CG2 3.42Å; K732-V736 PolarHBondContact O-N 3.26Å
733	I	66.8	Low	64.5	Low	18 Å²	18	76.1 Å²	76.1	9%	0.092	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-39.8	176.6	-62.3	177.8	0	0	0	110.3	K610 F613 F729 E730 Y735 V736 V737	K610-I733 HydrophobicContact CB-CD1 4.19Å; K610-I733 HydrophobicContact CG-CD1 3.92Å; F613-I733 HydrophobicContact CB-CD1 4.44Å; F613-I733 HydrophobicContact CD1-CG1 4.22Å; F613-I733 HydrophobicContact CD2-CD1 3.54Å; F613-I733 HydrophobicContact CD2-CG1 3.78Å; F613-I733 HydrophobicContact CE1-CG1 4.25Å; F613-I733 HydrophobicContact CE2-CD1 3.86Å; F613-I733 HydrophobicContact CE2-CG1 3.83Å; F613-I733 HydrophobicContact CE2-CG2 4.22Å; F613-I733 HydrophobicContact CG-CD1 4.04Å; F613-I733 HydrophobicContact CG-CG1 3.99Å; F613-I733 HydrophobicContact CZ-CG1 4.07Å; F613-I733 HydrophobicContact CZ-CG2 4.35Å; F729-I733 HydrophobicContact CD1-CD1 3.92Å; F729-I733 HydrophobicContact CE1-CD1 3.68Å; F729-I733 HydrophobicContact CZ-CD1 4.41Å; F729-I733 PolarHBondContact O-N 3.2Å; F729-I733 VanDerWaalsContact O-N 3.11Å; E730-I733 PolarHBondContact O-N 3Å; I733-Y735 PolarHBondContact O-N 3.03Å; I733-V736 PolarHBondContact O-N 2.67Å; I733-V737 HydrophobicContact CG2-CG2 4.47Å; I733-V737 WeakPolarHBondContact O-CG2 3.39Å; I733-V737 PolarHBondContact O-N 3.14Å
734	S	69.8	Low	67.1	Low	78 Å²	78	77.2 Å²	77.2	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-43.5	174.2	-176.3	0	0	0	0	112.2	E730 K732 Q738	E730-S734 WeakPolarHBondContact O-CB 3.43Å; E730-S734 PolarHBondContact O-N 3.41Å; K732-S734 VanDerWaalsContact C-N 3.34Å; S734-Q738 VanDerWaalsContact O-CB 3.29Å; S734-Q738 WeakPolarHBondContact O-CB 3.48Å; S734-Q738 PolarHBondContact O-N 2.81Å
735	Y	74.6	Confident	69.2	Low	140 Å²	140	73.9 Å²	73.9	55%	0.549	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-48.4	173.4	177	-95.7	0	0	0	112.1	N731 K732 I733 V737 Q738 S739	N731-Y735 WeakPolarHBondContact O-CB 3.31Å; N731-Y735 PolarHBondContact O-N 3.01Å; K732-Y735 PolarHBondContact O-N 3.43Å; I733-Y735 PolarHBondContact O-N 3.03Å; Y735-V737 PolarHBondContact O-N 2.84Å; Y735-Q738 PolarHBondContact O-N 3.07Å; Y735-S739 PolarHBondContact O-N 3.19Å; Y735-S739 PolarHBondContact O-OG 3.45Å; Y735-S739 VanDerWaalsContact O-OG 3.08Å
736	V	72.9	Confident	71.6	Confident	2 Å²	2	71 Å²	71	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-54.1	-51.3	176.3	160.3	0	0	0	0	111.8	L164 L165 L608 F613 K732 I733 Q738 S739 L740	L164-V736 HydrophobicContact CB-CG2 3.92Å; L164-V736 HydrophobicContact CD1-CB 4.33Å; L164-V736 HydrophobicContact CD1-CG1 3.82Å; L164-V736 HydrophobicContact CD1-CG2 4.27Å; L165-V736 HydrophobicContact CD2-CG2 4.34Å; L165-V736 HydrophobicContact CG-CG2 4.49Å; L608-V736 HydrophobicContact CD1-CG1 3.77Å; F613-V736 HydrophobicContact CE1-CG1 4.23Å; F613-V736 HydrophobicContact CE1-CG2 4.27Å; F613-V736 HydrophobicContact CZ-CG1 4.19Å; K732-V736 WeakPolarHBondContact O-CG2 3.42Å; K732-V736 PolarHBondContact O-N 3.26Å; I733-V736 PolarHBondContact O-N 2.67Å; V736-Q738 VanDerWaalsContact C-N 3.35Å; V736-Q738 PolarHBondContact O-N 2.85Å; V736-S739 PolarHBondContact O-N 3.15Å; V736-L740 HydrophobicContact CG1-CD1 4.45Å; V736-L740 WeakPolarHBondContact O-CG 3.27Å; V736-L740 PolarHBondContact O-N 2.81Å; V736-L740 VanDerWaalsContact O-N 3.14Å
737	V	72.6	Confident	74	Confident	39 Å²	39	65.3 Å²	65.3	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-39.7	179.4	172.4	0	0	0	0	111.3	L608 I733 Y735 L740 K741	L608-V737 HydrophobicContact CD1-CG2 4.35Å; I733-V737 HydrophobicContact CG2-CG2 4.47Å; I733-V737 WeakPolarHBondContact O-CG2 3.39Å; I733-V737 PolarHBondContact O-N 3.14Å; Y735-V737 PolarHBondContact O-N 2.84Å; V737-L740 PolarHBondContact O-N 2.9Å; V737-K741 WeakPolarHBondContact O-CG 3.41Å; V737-K741 PolarHBondContact O-N 2.77Å; V737-K741 VanDerWaalsContact O-N 3.15Å
738	Q	77	Confident	76.3	Confident	118 Å²	118	61.6 Å²	61.6	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-68.9	-36.1	179.3	-172.2	56.5	46.1	0	0	112.7	S734 Y735 V736 K741	S734-Q738 VanDerWaalsContact O-CB 3.29Å; S734-Q738 WeakPolarHBondContact O-CB 3.48Å; S734-Q738 PolarHBondContact O-N 2.81Å; Y735-Q738 PolarHBondContact O-N 3.07Å; V736-Q738 VanDerWaalsContact C-N 3.35Å; V736-Q738 PolarHBondContact O-N 2.85Å; Q738-K741 PolarHBondContact O-N 2.81Å
739	S	78.1	Confident	78.3	Confident	23 Å²	23	61.6 Å²	61.6	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-37.9	173.1	-60.3	0	0	0	0	112.4	Y735 V736 K741 E742	Y735-S739 PolarHBondContact O-N 3.19Å; Y735-S739 PolarHBondContact O-OG 3.45Å; Y735-S739 VanDerWaalsContact O-OG 3.08Å; V736-S739 PolarHBondContact O-N 3.15Å; S739-K741 VanDerWaalsContact C-N 3.31Å; S739-K741 PolarHBondContact O-N 2.71Å; S739-E742 PolarHBondContact O-N 2.95Å
740	L	81.4	Confident	80.2	Confident	4 Å²	4	59 Å²	59	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-29.6	176.2	-68.3	174	0	0	0	112.3	P79 F80 L164 L603 L608 V736 V737 E742 Y743	P79-L740 HydrophobicContact CB-CD2 4.17Å; P79-L740 HydrophobicContact CG-CD2 4.11Å; F80-L740 HydrophobicContact CE1-CD2 3.86Å; F80-L740 HydrophobicContact CZ-CD2 3.91Å; L164-L740 HydrophobicContact CD1-CD1 4.34Å; L164-L740 HydrophobicContact CD1-CD2 4.13Å; L164-L740 HydrophobicContact CD1-CG 4.06Å; L603-L740 HydrophobicContact CD1-CB 4.43Å; L603-L740 WeakPolarHBondContact CD1-O 3.39Å; L603-L740 HydrophobicContact CD2-CB 4.5Å; L608-L740 HydrophobicContact CD1-CD1 4.04Å; V736-L740 HydrophobicContact CG1-CD1 4.45Å; V736-L740 WeakPolarHBondContact O-CG 3.27Å; V736-L740 PolarHBondContact O-N 2.81Å; V736-L740 VanDerWaalsContact O-N 3.14Å; V737-L740 PolarHBondContact O-N 2.9Å; L740-E742 PolarHBondContact O-N 3.37Å; L740-E742 VanDerWaalsContact O-N 3.16Å; L740-Y743 PolarHBondContact O-N 2.74Å
741	K	81.9	Confident	82	Confident	68 Å²	68	56.9 Å²	56.9	30%	0.296	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.8	-19.9	178.3	-79.1	-179.9	174.6	-169.3	0	114.8	L603 N604 V737 Q738 S739 Y743 E744	L603-K741 HydrophobicContact CB-CG 4.36Å; L603-K741 HydrophobicContact CD1-CB 4.44Å; L603-K741 HydrophobicContact CD1-CG 4.05Å; N604-K741 WeakPolarHBondContact OD1-CE 3.39Å; N604-K741 PolarHBondContact OD1-NZ 2.87Å; V737-K741 WeakPolarHBondContact O-CG 3.41Å; V737-K741 PolarHBondContact O-N 2.77Å; V737-K741 VanDerWaalsContact O-N 3.15Å; Q738-K741 PolarHBondContact O-N 2.81Å; S739-K741 VanDerWaalsContact C-N 3.31Å; S739-K741 PolarHBondContact O-N 2.71Å; K741-Y743 PolarHBondContact O-N 3.41Å; K741-E744 PolarHBondContact O-N 3.33Å
742	E	84.5	Confident	83.4	Confident	133 Å²	133	52.2 Å²	52.2	62%	0.621	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-66.6	-11.8	171.5	-60.5	-171	-177.9	0	0	113.7	S739 L740 K746	S739-E742 PolarHBondContact O-N 2.95Å; L740-E742 PolarHBondContact O-N 3.37Å; L740-E742 VanDerWaalsContact O-N 3.16Å; E742-K746 WeakPolarHBondContact O-CE 3.46Å; E742-K746 PolarHBondContact O-NZ 2.78Å
743	Y	86.9	Confident	84.7	Confident	42 Å²	42	47.9 Å²	47.9	17%	0.165	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-104.6	-2.2	179.9	-58.3	-91.2	0	0	0	113.6	L78 P79 F80 V600 L740 K741 G745 K746 V757	L78-Y743 HydrophobicContact CD2-CE1 4.02Å; P79-Y743 WeakPolarHBondContact CD-OH 3.44Å; P79-Y743 HydrophobicContact CG-CD2 4.4Å; P79-Y743 HydrophobicContact CG-CE2 3.66Å; F80-Y743 AromaticContact CE2-CD1 3.69Å; F80-Y743 HydrophobicContact CE2-CD1 3.69Å; F80-Y743 AromaticContact CE2-CD2 3.92Å; F80-Y743 HydrophobicContact CE2-CD2 3.92Å; F80-Y743 HydrophobicContact CE2-CE1 4.1Å; F80-Y743 HydrophobicContact CE2-CE2 4.33Å; F80-Y743 AromaticContact CE2-CG 3.59Å; F80-Y743 HydrophobicContact CE2-CG 3.59Å; F80-Y743 HydrophobicContact CZ-CD1 4.35Å; F80-Y743 HydrophobicContact CZ-CD2 4.02Å; F80-Y743 AromaticContact CZ-CG 3.8Å; F80-Y743 HydrophobicContact CZ-CG 3.8Å; V600-Y743 WeakPolarHBondContact CB-O 3.23Å; L740-Y743 PolarHBondContact O-N 2.74Å; K741-Y743 PolarHBondContact O-N 3.41Å; Y743-G745 PolarHBondContact O-N 3.05Å; Y743-K746 HydrophobicContact CD1-CD 4.45Å; Y743-K746 WeakPolarHBondContact O-CB 3.15Å; Y743-K746 PolarHBondContact O-N 2.74Å; Y743-K746 VanDerWaalsContact O-N 3.08Å; Y743-V757 HydrophobicContact CD1-CG2 3.84Å; Y743-V757 HydrophobicContact CE1-CG2 3.78Å
744	E	87.1	Confident	86	Confident	85 Å²	85	52.1 Å²	52.1	40%	0.397	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.3	179.4	-166.6	149	-136.9	0	0	111.9	D602 L603 K741 K746	D602-E744 VanDerWaalsContact CA-OE1 3.22Å; D602-E744 WeakPolarHBondContact CA-OE1 3.29Å; D602-E744 PolarHBondContact N-OE1 3.46Å; L603-E744 HydrophobicContact CD1-CB 3.93Å; L603-E744 PolarHBondContact N-OE1 2.63Å; K741-E744 PolarHBondContact O-N 3.33Å; E744-K746 PolarHBondContact O-N 3.49Å
745	G	85.2	Confident	87.1	Confident	37 Å²	37	49.6 Å²	49.6	38%	0.381	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-10.1	-175.6	0	0	0	0	0	115.5	K599 V600 Y743	K599-G745 WeakPolarHBondContact CE-O 3.28Å; V600-G745 PolarHBondContact O-N 2.91Å; Y743-G745 PolarHBondContact O-N 3.05Å
746	K	90.3	Very high	88	Confident	85 Å²	85	47.3 Å²	47.3	37%	0.37	24%	0.239	S	C	.	.			trans	-80.7	161.2	174.7	-56.7	-176	-175.2	157.8	0	111.3	K599 V600 E742 Y743 E744 V757	K599-K746 WeakPolarHBondContact CA-O 3.38Å; V600-K746 PolarHBondContact N-O 3.42Å; E742-K746 WeakPolarHBondContact O-CE 3.46Å; E742-K746 PolarHBondContact O-NZ 2.78Å; Y743-K746 HydrophobicContact CD1-CD 4.45Å; Y743-K746 WeakPolarHBondContact O-CB 3.15Å; Y743-K746 PolarHBondContact O-N 2.74Å; Y743-K746 VanDerWaalsContact O-N 3.08Å; E744-K746 PolarHBondContact O-N 3.49Å; K746-V757 HydrophobicContact CB-CG1 4.27Å; K746-V757 HydrophobicContact CD-CG1 3.87Å
747	W	94.3	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.3	170.9	-70.7	84.4	0	0	0	110.2	L560 L578 V598 K599 V757 T758 E760 F763	L560-W747 HydrophobicContact CD2-CZ2 4.18Å; L578-W747 HydrophobicContact CD2-CH2 4.16Å; L578-W747 HydrophobicContact CG-CH2 4.16Å; V598-W747 VanDerWaalsContact C-CE3 3.44Å; V598-W747 CarbonylContact O-C 3.53Å; V598-W747 WeakPolarHBondContact O-CA 3.34Å; K599-W747 HydrophobicContact CB-CD2 3.83Å; K599-W747 HydrophobicContact CB-CE3 3.93Å; K599-W747 HydrophobicContact CB-CG 4.49Å; K599-W747 HydrophobicContact CB-CH2 3.86Å; K599-W747 HydrophobicContact CB-CZ2 3.77Å; K599-W747 HydrophobicContact CB-CZ3 3.95Å; K599-W747 HydrophobicContact CD-CZ2 3.83Å; K599-W747 HydrophobicContact CG-CD2 4.25Å; K599-W747 HydrophobicContact CG-CZ2 4.2Å; W747-V757 WeakPolarHBondContact O-CA 3.42Å; W747-T758 VanDerWaalsContact CB-OG1 3.26Å; W747-T758 WeakPolarHBondContact CB-OG1 3.43Å; W747-T758 PolarHBondContact N-O 3.22Å; W747-T758 PolarHBondContact O-N 2.99Å; W747-E760 PolarHBondContact NE1-OE2 3.29Å; W747-F763 HydrophobicContact CB-CB 4.36Å; W747-F763 HydrophobicContact CD2-CB 4.36Å; W747-F763 AromaticContact CD2-CD1 3.75Å; W747-F763 HydrophobicContact CD2-CD1 3.75Å; W747-F763 AromaticContact CD2-CD2 3.99Å; W747-F763 HydrophobicContact CD2-CD2 3.99Å; W747-F763 AromaticContact CD2-CE1 3.99Å; W747-F763 HydrophobicContact CD2-CE1 3.99Å; W747-F763 HydrophobicContact CD2-CE2 4.22Å; W747-F763 AromaticContact CD2-CG 3.75Å; W747-F763 HydrophobicContact CD2-CG 3.75Å; W747-F763 HydrophobicContact CD2-CZ 4.2Å; W747-F763 AromaticContact CE2-CD1 3.45Å; W747-F763 VanDerWaalsContact CE2-CD1 3.45Å; W747-F763 AromaticContact CE2-CE1 3.54Å; W747-F763 AromaticContact CE2-CG 3.97Å; W747-F763 HydrophobicContact CE3-CD1 4.23Å; W747-F763 AromaticContact CE3-CD2 3.85Å; W747-F763 HydrophobicContact CE3-CD2 3.85Å; W747-F763 HydrophobicContact CE3-CE1 4.12Å; W747-F763 AromaticContact CE3-CE2 3.73Å; W747-F763 HydrophobicContact CE3-CE2 3.73Å; W747-F763 HydrophobicContact CE3-CG 4.1Å; W747-F763 AromaticContact CE3-CZ 3.85Å; W747-F763 HydrophobicContact CE3-CZ 3.85Å; W747-F763 HydrophobicContact CG-CB 4.05Å; W747-F763 HydrophobicContact CG-CD1 4.22Å; W747-F763 HydrophobicContact CG-CD2 4.44Å; W747-F763 AromaticContact CG-CG 3.97Å; W747-F763 HydrophobicContact CG-CG 3.97Å; W747-F763 HydrophobicContact CH2-CD1 4.24Å; W747-F763 AromaticContact CH2-CE1 3.48Å; W747-F763 HydrophobicContact CH2-CE1 3.48Å; W747-F763 VanDerWaalsContact CH2-CE1 3.48Å; W747-F763 HydrophobicContact CH2-CE2 4.13Å; W747-F763 AromaticContact CH2-CZ 3.4Å; W747-F763 HydrophobicContact CH2-CZ 3.4Å; W747-F763 AromaticContact CZ2-CD1 3.73Å; W747-F763 HydrophobicContact CZ2-CD1 3.73Å; W747-F763 AromaticContact CZ2-CE1 3.28Å; W747-F763 HydrophobicContact CZ2-CE1 3.28Å; W747-F763 AromaticContact CZ2-CZ 3.75Å; W747-F763 HydrophobicContact CZ2-CZ 3.75Å; W747-F763 HydrophobicContact CZ3-CD1 4.46Å; W747-F763 HydrophobicContact CZ3-CD2 4.28Å; W747-F763 AromaticContact CZ3-CE1 3.89Å; W747-F763 HydrophobicContact CZ3-CE1 3.89Å; W747-F763 AromaticContact CZ3-CE2 3.69Å; W747-F763 HydrophobicContact CZ3-CE2 3.69Å; W747-F763 AromaticContact CZ3-CZ 3.45Å; W747-F763 HydrophobicContact CZ3-CZ 3.45Å; W747-F763 VanDerWaalsContact CZ3-CZ 3.45Å; W747-F763 AromaticContact NE1-CD1 3.73Å
748	L	94.8	Very high	89.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.3	172.5	-63	177.1	0	0	0	108	F80 F101 S597 V598 V600 F750 K756 V757	F80-L748 HydrophobicContact CB-CD1 4.46Å; F80-L748 HydrophobicContact CD1-CD1 3.69Å; F80-L748 HydrophobicContact CD2-CD1 3.77Å; F80-L748 HydrophobicContact CD2-CD2 3.78Å; F80-L748 HydrophobicContact CD2-CG 4.46Å; F80-L748 HydrophobicContact CE1-CD1 3.79Å; F80-L748 HydrophobicContact CE2-CD1 3.87Å; F80-L748 HydrophobicContact CE2-CD2 3.84Å; F80-L748 HydrophobicContact CE2-CG 4.49Å; F80-L748 HydrophobicContact CG-CD1 3.69Å; F80-L748 HydrophobicContact CG-CD2 4.47Å; F80-L748 HydrophobicContact CZ-CD1 3.89Å; F101-L748 HydrophobicContact CZ-CD1 4.28Å; S597-L748 CarbonylContact C-O 3.51Å; S597-L748 WeakPolarHBondContact CA-O 3.27Å; V598-L748 PolarHBondContact N-O 2.81Å; V598-L748 PolarHBondContact O-N 3.09Å; V600-L748 HydrophobicContact CG2-CD1 3.55Å; V600-L748 HydrophobicContact CG2-CG 3.77Å; L748-F750 HydrophobicContact CB-CD2 4.27Å; L748-F750 HydrophobicContact CB-CE2 3.54Å; L748-F750 HydrophobicContact CB-CZ 4Å; L748-F750 HydrophobicContact CD1-CE2 4.12Å; L748-F750 HydrophobicContact CD1-CZ 3.88Å; L748-F750 HydrophobicContact CG-CE2 4.5Å; L748-K756 WeakPolarHBondContact CA-O 3.21Å; L748-V757 HydrophobicContact CD2-CG2 3.88Å
749	L	95.8	Very high	90.4	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.5	168.4	174.5	63.1	0	0	0	108.6	V755 K756 T758	L749-V755 WeakPolarHBondContact O-CA 3.48Å; L749-K756 HydrophobicContact CB-CB 4.45Å; L749-K756 PolarHBondContact N-O 2.89Å; L749-K756 PolarHBondContact O-N 3.48Å; L749-T758 HydrophobicContact CB-CG2 4.4Å
750	F	96.6	Very high	90.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120	171.2	-64.1	-88.6	0	0	0	109.4	F80 Q97 F101 T595 A596 V598 L748 V755	F80-F750 HydrophobicContact CB-CE1 4.42Å; F80-F750 HydrophobicContact CB-CZ 4.49Å; Q97-F750 HydrophobicContact CB-CB 4.37Å; Q97-F750 HydrophobicContact CB-CD2 4.32Å; Q97-F750 HydrophobicContact CB-CG 4.2Å; Q97-F750 VanDerWaalsContact CD-CD1 3.4Å; Q97-F750 HydrophobicContact CG-CB 3.95Å; Q97-F750 HydrophobicContact CG-CD1 3.97Å; Q97-F750 HydrophobicContact CG-CD2 4.48Å; Q97-F750 HydrophobicContact CG-CG 3.87Å; Q97-F750 VanDerWaalsContact NE2-CD1 3.26Å; F101-F750 HydrophobicContact CD2-CE2 4.18Å; F101-F750 HydrophobicContact CD2-CZ 4.28Å; F101-F750 HydrophobicContact CE2-CE1 4.18Å; F101-F750 AromaticContact CE2-CE2 3.62Å; F101-F750 HydrophobicContact CE2-CE2 3.62Å; F101-F750 AromaticContact CE2-CZ 3.3Å; F101-F750 HydrophobicContact CE2-CZ 3.3Å; F101-F750 HydrophobicContact CZ-CE2 4.29Å; F101-F750 AromaticContact CZ-CZ 3.72Å; F101-F750 HydrophobicContact CZ-CZ 3.72Å; T595-F750 WeakPolarHBondContact CA-O 3.33Å; T595-F750 WeakPolarHBondContact CB-O 3.34Å; A596-F750 HydrophobicContact CB-CB 4.41Å; A596-F750 PolarHBondContact N-O 2.87Å; A596-F750 PolarHBondContact O-N 2.9Å; V598-F750 HydrophobicContact CB-CE2 4.29Å; V598-F750 HydrophobicContact CG2-CD2 4.25Å; V598-F750 HydrophobicContact CG2-CE2 4.25Å; L748-F750 HydrophobicContact CB-CD2 4.27Å; L748-F750 HydrophobicContact CB-CE2 3.54Å; L748-F750 HydrophobicContact CB-CZ 4Å; L748-F750 HydrophobicContact CD1-CE2 4.12Å; L748-F750 HydrophobicContact CD1-CZ 3.88Å; L748-F750 HydrophobicContact CG-CE2 4.5Å; F750-V755 HydrophobicContact CD1-CB 4.32Å; F750-V755 HydrophobicContact CD1-CG1 3.88Å; F750-V755 HydrophobicContact CD1-CG2 3.62Å; F750-V755 HydrophobicContact CE1-CB 4.28Å; F750-V755 HydrophobicContact CE1-CG1 3.57Å; F750-V755 HydrophobicContact CE1-CG2 3.66Å; F750-V755 HydrophobicContact CG-CG1 4.5Å; F750-V755 HydrophobicContact CZ-CG1 3.95Å
751	D	96.1	Very high	91.2	Very high	48 Å²	48	59.6 Å²	59.6	26%	0.257	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	81.5	-179.7	-161.9	-19.3	0	0	0	107.7	H593 T595 S753 E754	H593-D751 IonicContact CD2-OD1 3.5Å; H593-D751 IonicContact CE1-OD1 2.78Å; H593-D751 IonicContact NE2-OD1 2.74Å; H593-D751 PolarHBondContact NE2-OD1 3.42Å; T595-D751 HydrophobicContact CG2-CB 4.1Å; D751-S753 PolarHBondContact O-N 3.24Å; D751-E754 HydrophobicContact CB-CB 4.35Å; D751-E754 PolarHBondContact N-O 3.47Å; D751-E754 PolarHBondContact O-N 3.37Å
752	D	96.2	Very high	91.4	Very high	19 Å²	19	60.3 Å²	60.3	10%	0.102	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-104.8	-161.6	-75.1	-47.9	0	0	0	112.7	G82 L83 N85 C90 N93 H593	G82-D752 WeakPolarHBondContact CA-O 3.5Å; L83-D752 PolarHBondContact N-O 3.25Å; L83-D752 CarbonylContact O-C 3.46Å; L83-D752 VanDerWaalsContact O-CA 3.31Å; L83-D752 WeakPolarHBondContact O-CA 3.43Å; L83-D752 WeakPolarHBondContact O-CB 3.13Å; N85-D752 HydrophobicContact CB-CB 4.26Å; N85-D752 WeakPolarHBondContact CB-OD2 3.39Å; N85-D752 PolarHBondContact ND2-OD2 2.89Å; C90-D752 WeakPolarHBondContact CA-OD1 3.29Å; N93-D752 WeakPolarHBondContact CB-OD1 3.17Å; N93-D752 PolarHBondContact ND2-OD1 3.33Å; H593-D752 IonicContact CE1-OD2 2.63Å; H593-D752 PolarHBondContact CE1-OD2 2.66Å
753	S	95.3	Very high	91.6	Very high	25 Å²	25	54 Å²	54	18%	0.175	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.2	-179.5	48.6	0	0	0	0	114.3	L83 N84 E173 D751	L83-S753 PolarHBondContact O-N 2.99Å; N84-S753 WeakPolarHBondContact ND2-CB 3.19Å; E173-S753 WeakPolarHBondContact OE1-CB 3.32Å; E173-S753 PolarHBondContact OE1-OG 2.83Å; D751-S753 PolarHBondContact O-N 3.24Å
754	E	93.9	Very high	91.6	Very high	107 Å²	107	55.3 Å²	55.3	50%	0.5	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.7	174	-65.7	-174.6	-158.3	0	0	110.8	D751 K756	D751-E754 HydrophobicContact CB-CB 4.35Å; D751-E754 PolarHBondContact N-O 3.47Å; D751-E754 PolarHBondContact O-N 3.37Å; E754-K756 WeakPolarHBondContact OE2-CE 3.47Å; E754-K756 IonicContact OE2-NZ 2.64Å; E754-K756 PolarHBondContact OE2-NZ 3.47Å
755	V	94.3	Very high	91.4	Very high	25 Å²	25	54.2 Å²	54.2	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.6	172.5	-165.9	0	0	0	0	109.2	L78 F80 L749 F750	L78-V755 HydrophobicContact CD1-CB 4.39Å; L78-V755 HydrophobicContact CD1-CG1 4.24Å; L78-V755 WeakPolarHBondContact CD1-O 3.29Å; F80-V755 HydrophobicContact CB-CG1 3.98Å; L749-V755 WeakPolarHBondContact O-CA 3.48Å; F750-V755 HydrophobicContact CD1-CB 4.32Å; F750-V755 HydrophobicContact CD1-CG1 3.88Å; F750-V755 HydrophobicContact CD1-CG2 3.62Å; F750-V755 HydrophobicContact CE1-CB 4.28Å; F750-V755 HydrophobicContact CE1-CG1 3.57Å; F750-V755 HydrophobicContact CE1-CG2 3.66Å; F750-V755 HydrophobicContact CG-CG1 4.5Å; F750-V755 HydrophobicContact CZ-CG1 3.95Å
756	K	93.4	Very high	91.3	Very high	91 Å²	91	54.6 Å²	54.6	40%	0.396	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.4	-178.1	-68.7	163	-171.7	158.6	0	110.3	L748 L749 E754	L748-K756 WeakPolarHBondContact CA-O 3.21Å; L749-K756 HydrophobicContact CB-CB 4.45Å; L749-K756 PolarHBondContact N-O 2.89Å; L749-K756 PolarHBondContact O-N 3.48Å; E754-K756 WeakPolarHBondContact OE2-CE 3.47Å; E754-K756 IonicContact OE2-NZ 2.64Å; E754-K756 PolarHBondContact OE2-NZ 3.47Å
757	V	93.1	Very high	90.8	Very high	59 Å²	59	51.7 Å²	51.7	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.7	169.5	175.9	0	0	0	0	108.9	L78 Y743 K746 W747 L748	L78-V757 HydrophobicContact CD1-CG2 3.76Å; L78-V757 HydrophobicContact CD2-CG2 3.81Å; L78-V757 HydrophobicContact CG-CG2 4.47Å; Y743-V757 HydrophobicContact CD1-CG2 3.84Å; Y743-V757 HydrophobicContact CE1-CG2 3.78Å; K746-V757 HydrophobicContact CB-CG1 4.27Å; K746-V757 HydrophobicContact CD-CG1 3.87Å; W747-V757 WeakPolarHBondContact O-CA 3.42Å; L748-V757 HydrophobicContact CD2-CG2 3.88Å
758	T	90.5	Very high	89.6	Confident	32 Å²	32	53.6 Å²	53.6	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.4	171.6	50.1	0	0	0	0	110.6	W747 L749	W747-T758 VanDerWaalsContact CB-OG1 3.26Å; W747-T758 WeakPolarHBondContact CB-OG1 3.43Å; W747-T758 PolarHBondContact N-O 3.22Å; W747-T758 PolarHBondContact O-N 2.99Å; L749-T758 HydrophobicContact CB-CG2 4.4Å
759	E	88.8	Confident	87.8	Confident	139 Å²	139	56.8 Å²	56.8	65%	0.65	30%	0.298	S	S	*	.			trans	-73.9	150.8	168.4	-66.4	-164.1	174.5	0	0	110	K761 D762 F763	E759-K761 PolarHBondContact O-N 3.33Å; E759-K761 VanDerWaalsContact O-N 3.12Å; E759-D762 PolarHBondContact O-N 2.89Å; E759-F763 PolarHBondContact O-N 3.01Å
760	E	88.2	Confident	86	Confident	69 Å²	69	59.6 Å²	59.6	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-57.5	-30.9	-179.9	-179.3	153.2	97.9	0	0	112.8	L560 K599 W747 L764	L560-E760 VanDerWaalsContact CD1-CD 3.48Å; L560-E760 HydrophobicContact CD1-CG 4Å; L560-E760 WeakPolarHBondContact CD1-OE1 2.98Å; K599-E760 WeakPolarHBondContact CE-OE2 3.22Å; K599-E760 IonicContact NZ-OE1 2.81Å; K599-E760 IonicContact NZ-OE2 2.7Å; K599-E760 PolarHBondContact NZ-OE2 3.1Å; W747-E760 PolarHBondContact NE1-OE2 3.29Å; E760-L764 HydrophobicContact CG-CD1 4.2Å; E760-L764 HydrophobicContact CG-CG 4.48Å; E760-L764 WeakPolarHBondContact O-CB 3.44Å; E760-L764 WeakPolarHBondContact O-CG 3.34Å; E760-L764 PolarHBondContact O-N 2.98Å
761	K	87.4	Confident	84.3	Confident	146 Å²	146	63.3 Å²	63.3	64%	0.635	34%	0.343	S	S	*	.	H	α-helix	trans	-63	-43.6	173.5	-174.6	-172.2	173.4	-162.8	0	112.2	E759 L764 N765	E759-K761 PolarHBondContact O-N 3.33Å; E759-K761 VanDerWaalsContact O-N 3.12Å; K761-L764 PolarHBondContact O-N 3.36Å; K761-N765 PolarHBondContact O-N 3.33Å; K761-N765 PolarHBondContact O-ND2 3.45Å; K761-N765 VanDerWaalsContact O-ND2 3.16Å
762	D	86.8	Confident	82.8	Confident	82 Å²	82	62.9 Å²	62.9	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-81.8	-28.8	-176.6	-65.9	-34.3	0	0	0	112.5	E759 N765 S766	E759-D762 PolarHBondContact O-N 2.89Å; D762-N765 WeakPolarHBondContact O-CB 3.49Å; D762-N765 PolarHBondContact O-N 3.04Å; D762-N765 PolarHBondContact OD1-ND2 2.9Å; D762-S766 PolarHBondContact O-N 2.95Å
763	F	88.6	Confident	81.5	Confident	2 Å²	2	67 Å²	67	1%	0.009	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-49.1	161.4	168.1	-104.9	0	0	0	111.5	L560 L578 V581 W747 E759 N765 S766 L767	L560-F763 HydrophobicContact CD2-CE1 4.01Å; L578-F763 HydrophobicContact CD2-CE1 4.12Å; L578-F763 HydrophobicContact CD2-CZ 3.96Å; V581-F763 HydrophobicContact CB-CE2 4.33Å; V581-F763 HydrophobicContact CB-CZ 4.47Å; V581-F763 HydrophobicContact CG2-CE2 4.16Å; V581-F763 HydrophobicContact CG2-CZ 3.8Å; W747-F763 HydrophobicContact CB-CB 4.36Å; W747-F763 HydrophobicContact CD2-CB 4.36Å; W747-F763 AromaticContact CD2-CD1 3.75Å; W747-F763 HydrophobicContact CD2-CD1 3.75Å; W747-F763 AromaticContact CD2-CD2 3.99Å; W747-F763 HydrophobicContact CD2-CD2 3.99Å; W747-F763 AromaticContact CD2-CE1 3.99Å; W747-F763 HydrophobicContact CD2-CE1 3.99Å; W747-F763 HydrophobicContact CD2-CE2 4.22Å; W747-F763 AromaticContact CD2-CG 3.75Å; W747-F763 HydrophobicContact CD2-CG 3.75Å; W747-F763 HydrophobicContact CD2-CZ 4.2Å; W747-F763 AromaticContact CE2-CD1 3.45Å; W747-F763 VanDerWaalsContact CE2-CD1 3.45Å; W747-F763 AromaticContact CE2-CE1 3.54Å; W747-F763 AromaticContact CE2-CG 3.97Å; W747-F763 HydrophobicContact CE3-CD1 4.23Å; W747-F763 AromaticContact CE3-CD2 3.85Å; W747-F763 HydrophobicContact CE3-CD2 3.85Å; W747-F763 HydrophobicContact CE3-CE1 4.12Å; W747-F763 AromaticContact CE3-CE2 3.73Å; W747-F763 HydrophobicContact CE3-CE2 3.73Å; W747-F763 HydrophobicContact CE3-CG 4.1Å; W747-F763 AromaticContact CE3-CZ 3.85Å; W747-F763 HydrophobicContact CE3-CZ 3.85Å; W747-F763 HydrophobicContact CG-CB 4.05Å; W747-F763 HydrophobicContact CG-CD1 4.22Å; W747-F763 HydrophobicContact CG-CD2 4.44Å; W747-F763 AromaticContact CG-CG 3.97Å; W747-F763 HydrophobicContact CG-CG 3.97Å; W747-F763 HydrophobicContact CH2-CD1 4.24Å; W747-F763 AromaticContact CH2-CE1 3.48Å; W747-F763 HydrophobicContact CH2-CE1 3.48Å; W747-F763 VanDerWaalsContact CH2-CE1 3.48Å; W747-F763 HydrophobicContact CH2-CE2 4.13Å; W747-F763 AromaticContact CH2-CZ 3.4Å; W747-F763 HydrophobicContact CH2-CZ 3.4Å; W747-F763 AromaticContact CZ2-CD1 3.73Å; W747-F763 HydrophobicContact CZ2-CD1 3.73Å; W747-F763 AromaticContact CZ2-CE1 3.28Å; W747-F763 HydrophobicContact CZ2-CE1 3.28Å; W747-F763 AromaticContact CZ2-CZ 3.75Å; W747-F763 HydrophobicContact CZ2-CZ 3.75Å; W747-F763 HydrophobicContact CZ3-CD1 4.46Å; W747-F763 HydrophobicContact CZ3-CD2 4.28Å; W747-F763 AromaticContact CZ3-CE1 3.89Å; W747-F763 HydrophobicContact CZ3-CE1 3.89Å; W747-F763 AromaticContact CZ3-CE2 3.69Å; W747-F763 HydrophobicContact CZ3-CE2 3.69Å; W747-F763 AromaticContact CZ3-CZ 3.45Å; W747-F763 HydrophobicContact CZ3-CZ 3.45Å; W747-F763 VanDerWaalsContact CZ3-CZ 3.45Å; W747-F763 AromaticContact NE1-CD1 3.73Å; E759-F763 PolarHBondContact O-N 3.01Å; F763-N765 PolarHBondContact O-N 2.81Å; F763-S766 PolarHBondContact O-N 3.25Å; F763-S766 PolarHBondContact O-OG 3.37Å; F763-L767 HydrophobicContact CE1-CD1 3.8Å; F763-L767 HydrophobicContact CE1-CG 4.45Å; F763-L767 HydrophobicContact CE2-CD1 4.33Å; F763-L767 HydrophobicContact CE2-CD2 4.12Å; F763-L767 HydrophobicContact CE2-CG 4.3Å; F763-L767 HydrophobicContact CZ-CD1 3.69Å; F763-L767 HydrophobicContact CZ-CD2 4.22Å; F763-L767 HydrophobicContact CZ-CG 4.16Å; F763-L767 PolarHBondContact O-N 3.36Å; F763-L767 VanDerWaalsContact O-N 3.13Å
764	L	86.6	Confident	80.7	Confident	68 Å²	68	68.6 Å²	68.6	36%	0.356	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-32.1	175	-72.1	170.4	0	0	0	112.5	L560 E760 K761 L767 S768	L560-L764 HydrophobicContact CD1-CD1 4.23Å; L560-L764 HydrophobicContact CD1-CD2 4.38Å; L560-L764 HydrophobicContact CD2-CD2 4.07Å; L560-L764 HydrophobicContact CG-CD2 4.14Å; E760-L764 HydrophobicContact CG-CD1 4.2Å; E760-L764 HydrophobicContact CG-CG 4.48Å; E760-L764 WeakPolarHBondContact O-CB 3.44Å; E760-L764 WeakPolarHBondContact O-CG 3.34Å; E760-L764 PolarHBondContact O-N 2.98Å; K761-L764 PolarHBondContact O-N 3.36Å; L764-L767 HydrophobicContact CD2-CD1 4.42Å; L764-L767 PolarHBondContact O-N 3.44Å; L764-S768 PolarHBondContact O-N 3.21Å
765	N	84.2	Confident	80.3	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	36%	0.364	S	S	.	.	H	α-helix	trans	-66.5	-33.9	171.4	-66.6	-34.5	0	0	0	112.3	K761 D762 F763 L767 S768 T771	K761-N765 PolarHBondContact O-N 3.33Å; K761-N765 PolarHBondContact O-ND2 3.45Å; K761-N765 VanDerWaalsContact O-ND2 3.16Å; D762-N765 WeakPolarHBondContact O-CB 3.49Å; D762-N765 PolarHBondContact O-N 3.04Å; D762-N765 PolarHBondContact OD1-ND2 2.9Å; F763-N765 PolarHBondContact O-N 2.81Å; N765-L767 VanDerWaalsContact C-N 3.33Å; N765-S768 VanDerWaalsContact O-CB 3.31Å; N765-S768 WeakPolarHBondContact O-CB 3.42Å; N765-S768 PolarHBondContact O-N 3.48Å; N765-S768 VanDerWaalsContact O-N 3.15Å; N765-T771 HydrophobicContact CB-CG2 4.27Å; N765-T771 WeakPolarHBondContact O-CG2 3.46Å; N765-T771 PolarHBondContact O-OG1 3.14Å
766	S	81.9	Confident	80	Confident	44 Å²	44	63.9 Å²	63.9	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-75	-21.4	175.8	76.5	0	0	0	0	113.4	M583 D762 F763 S768	M583-S766 WeakPolarHBondContact CE-O 3.34Å; D762-S766 PolarHBondContact O-N 2.95Å; F763-S766 PolarHBondContact O-N 3.25Å; F763-S766 PolarHBondContact O-OG 3.37Å; S766-S768 VanDerWaalsContact C-N 3.34Å
767	L	79.4	Confident	80	Confident	24 Å²	24	60 Å²	60	13%	0.126	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.8	166.7	-52.8	-175.5	0	0	0	113.3	T558 V581 M583 F763 L764 N765 P777	T558-L767 HydrophobicContact CG2-CD1 4.44Å; V581-L767 HydrophobicContact CG1-CD2 4.11Å; V581-L767 HydrophobicContact CG2-CD2 4.46Å; M583-L767 HydrophobicContact SD-CD2 3.87Å; F763-L767 HydrophobicContact CE1-CD1 3.8Å; F763-L767 HydrophobicContact CE1-CG 4.45Å; F763-L767 HydrophobicContact CE2-CD1 4.33Å; F763-L767 HydrophobicContact CE2-CD2 4.12Å; F763-L767 HydrophobicContact CE2-CG 4.3Å; F763-L767 HydrophobicContact CZ-CD1 3.69Å; F763-L767 HydrophobicContact CZ-CD2 4.22Å; F763-L767 HydrophobicContact CZ-CG 4.16Å; F763-L767 PolarHBondContact O-N 3.36Å; F763-L767 VanDerWaalsContact O-N 3.13Å; L764-L767 HydrophobicContact CD2-CD1 4.42Å; L764-L767 PolarHBondContact O-N 3.44Å; N765-L767 VanDerWaalsContact C-N 3.33Å; L767-P777 HydrophobicContact CD2-CG 3.81Å
768	S	69.8	Low	80	Confident	41 Å²	41	57.2 Å²	57.2	29%	0.287	33%	0.328	S	S	.	.	S	Bend	trans	-85.7	139.2	-178.3	177.8	0	0	0	0	112	L764 N765 S766 S770 T771	L764-S768 PolarHBondContact O-N 3.21Å; N765-S768 VanDerWaalsContact O-CB 3.31Å; N765-S768 WeakPolarHBondContact O-CB 3.42Å; N765-S768 PolarHBondContact O-N 3.48Å; N765-S768 VanDerWaalsContact O-N 3.15Å; S766-S768 VanDerWaalsContact C-N 3.34Å; S768-S770 PolarHBondContact O-N 2.77Å; S768-S770 PolarHBondContact OG-OG 3.28Å; S768-T771 PolarHBondContact O-N 2.86Å; S768-T771 PolarHBondContact O-OG1 3.45Å
769	P	56.6	Low	80.3	Confident	67 Å²	67	55.7 Å²	55.7	44%	0.435	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.5	177	24.6	-35.5	0	0	0	115.1	M482 P555 T771	M482-P769 HydrophobicContact CE-CG 3.8Å; P555-P769 HydrophobicContact CB-CB 3.78Å; P555-P769 HydrophobicContact CB-CG 3.86Å; P555-P769 HydrophobicContact CG-CB 3.69Å; P555-P769 HydrophobicContact CG-CG 3.79Å; P769-T771 VanDerWaalsContact C-N 3.3Å; P769-T771 PolarHBondContact O-N 3.47Å
770	S	59	Low	80.7	Confident	97 Å²	97	49.1 Å²	49.1	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.9	-178.2	55	0	0	0	0	114.7	S768	S768-S770 PolarHBondContact O-N 2.77Å; S768-S770 PolarHBondContact OG-OG 3.28Å
771	T	60.8	Low	81.2	Confident	81 Å²	81	45.9 Å²	45.9	50%	0.497	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-30.8	-169.6	57.3	0	0	0	0	115.2	N765 S768 P769	N765-T771 HydrophobicContact CB-CG2 4.27Å; N765-T771 WeakPolarHBondContact O-CG2 3.46Å; N765-T771 PolarHBondContact O-OG1 3.14Å; S768-T771 PolarHBondContact O-N 2.86Å; S768-T771 PolarHBondContact O-OG1 3.45Å; P769-T771 VanDerWaalsContact C-N 3.3Å; P769-T771 PolarHBondContact O-N 3.47Å
772	S	64.2	Low	81.6	Confident	39 Å²	39	39 Å²	39	27%	0.273	24%	0.242	S	C	.	.			trans	-151.3	128.5	174.5	-175.3	0	0	0	0	112.6	T774 S775	S772-T774 VanDerWaalsContact C-N 3.35Å; S772-S775 WeakPolarHBondContact OG-CB 3.35Å; S772-S775 PolarHBondContact OG-N 2.98Å; S772-S775 VanDerWaalsContact OG-N 3.1Å
773	P	68.3	Low	82	Confident	107 Å²	107	37.9 Å²	37.9	70%	0.695	23%	0.234	S	C	*	.	S	Bend	trans	-83.9	-6.5	177.1	34.3	-35.6	0	0	0	113.9	N553	N553-P773 WeakPolarHBondContact CB-O 3.41Å; N553-P773 VanDerWaalsContact CG-O 3.27Å
774	T	78.2	Confident	82.2	Confident	58 Å²	58	40.5 Å²	40.5	36%	0.356	25%	0.245	S	C	.	.	S	Bend	trans	-123.3	-15.7	-177.6	54.9	0	0	0	0	113.8	K551 S585 G586 I587 S772	K551-T774 PolarHBondContact NZ-O 3.45Å; S585-T774 WeakPolarHBondContact CA-O 3.49Å; G586-T774 PolarHBondContact N-O 2.87Å; I587-T774 HydrophobicContact CG2-CG2 4.28Å; S772-T774 VanDerWaalsContact C-N 3.35Å
775	S	86.9	Confident	82.3	Confident	21 Å²	21	43.9 Å²	43.9	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.5	168.5	-158	0	0	0	0	110	H584 S585 S772	H584-S775 WeakPolarHBondContact O-CA 2.96Å; S585-S775 VanDerWaalsContact OG-CB 3.29Å; S585-S775 WeakPolarHBondContact OG-CB 3.36Å; S585-S775 PolarHBondContact OG-OG 3.32Å; S772-S775 WeakPolarHBondContact OG-CB 3.35Å; S772-S775 PolarHBondContact OG-N 2.98Å; S772-S775 VanDerWaalsContact OG-N 3.1Å
776	T	88.3	Confident	82.2	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	158.3	173	61.3	0	0	0	0	110	K551 N553 M583 H584	K551-T776 WeakPolarHBondContact CE-OG1 3.32Å; K551-T776 PolarHBondContact NZ-OG1 3.4Å; N553-T776 HydrophobicContact CB-CG2 4.13Å; M583-T776 WeakPolarHBondContact CA-O 3.43Å; H584-T776 PolarHBondContact N-O 3.11Å; H584-T776 PolarHBondContact O-N 3.1Å
777	P	92.1	Very high	82.3	Confident	10 Å²	10	42.8 Å²	42.8	7%	0.065	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	145.9	165.5	-19.4	32.7	0	0	0	110.1	L532 V581 M583 L767 L780	L532-P777 HydrophobicContact CD1-CB 4.02Å; V581-P777 HydrophobicContact CG1-CB 4.05Å; M583-P777 HydrophobicContact CE-CG 4.36Å; M583-P777 VanDerWaalsContact SD-CA 3.57Å; M583-P777 HydrophobicContact SD-CB 4.09Å; M583-P777 HydrophobicContact SD-CG 3.84Å; L767-P777 HydrophobicContact CD2-CG 3.81Å; P777-L780 HydrophobicContact CB-CD2 3.88Å
778	Y	93.8	Very high	82.4	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-48.1	-179.7	-175.8	-119.9	0	0	0	111.9	D199 A200 Q201 H531 L532 C534 F535 V582 H584 Y594	D199-Y778 WeakPolarHBondContact OD1-CE1 3.5Å; D199-Y778 PolarHBondContact OD1-OH 2.72Å; D199-Y778 PolarHBondContact OD2-OH 2.95Å; A200-Y778 HydrophobicContact CB-CD1 4.46Å; A200-Y778 HydrophobicContact CB-CE1 4.39Å; Q201-Y778 HydrophobicContact CB-CE1 4.14Å; H531-Y778 AromaticContact CD2-CE2 3.52Å; H531-Y778 AromaticContact CD2-CZ 3.62Å; H531-Y778 PolarHBondContact CD2-OH 2.84Å; H531-Y778 AromaticContact NE2-CE2 3.42Å; H531-Y778 WeakPolarHBondContact NE2-CE2 3.21Å; H531-Y778 AromaticContact NE2-CZ 3.51Å; H531-Y778 PolarHBondContact NE2-OH 3.44Å; L532-Y778 PolarHBondContact N-O 3.34Å; L532-Y778 WeakPolarHBondContact O-CE2 3.3Å; C534-Y778 HydrophobicContact CB-CD2 4.39Å; F535-Y778 HydrophobicContact CD2-CE2 4.05Å; F535-Y778 HydrophobicContact CE2-CD2 4.27Å; F535-Y778 AromaticContact CE2-CE2 3.8Å; F535-Y778 HydrophobicContact CE2-CE2 3.8Å; V582-Y778 PolarHBondContact O-N 2.92Å; H584-Y778 HydrophobicContact CB-CG 4.43Å; Y594-Y778 AromaticContact CE1-CD1 3.78Å; Y594-Y778 HydrophobicContact CE1-CD1 3.78Å; Y594-Y778 HydrophobicContact CE1-CE1 4.23Å
779	L	96.8	Very high	83.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.1	169.6	-55.9	175.3	0	0	0	109.9	I95 A200 Q201 L204 I530 H531 V581 V582 F781	I95-L779 HydrophobicContact CD1-CD1 3.6Å; A200-L779 HydrophobicContact CB-CD1 4.39Å; Q201-L779 HydrophobicContact CB-CD2 4.03Å; Q201-L779 HydrophobicContact CG-CD2 3.93Å; L204-L779 HydrophobicContact CD2-CD1 4.33Å; I530-L779 WeakPolarHBondContact O-CA 3.5Å; H531-L779 HydrophobicContact CB-CD2 3.69Å; V581-L779 WeakPolarHBondContact CA-O 3.26Å; V582-L779 HydrophobicContact CB-CB 4.15Å; V582-L779 PolarHBondContact N-O 3.1Å; V582-L779 PolarHBondContact O-N 3.13Å; L779-F781 HydrophobicContact CB-CD2 4.41Å; L779-F781 HydrophobicContact CB-CE2 3.52Å; L779-F781 HydrophobicContact CB-CZ 3.91Å; L779-F781 HydrophobicContact CD1-CE2 4.34Å; L779-F781 HydrophobicContact CD1-CZ 4.03Å
780	L	97.2	Very high	84.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.1	176.4	-50.8	175	0	0	0	109.2	L485 I530 L532 T558 L578 V581 P777 Y782	L485-L780 HydrophobicContact CD1-CD1 3.97Å; L485-L780 HydrophobicContact CD2-CD1 3.82Å; I530-L780 HydrophobicContact CB-CB 4.29Å; I530-L780 PolarHBondContact N-O 3.21Å; I530-L780 PolarHBondContact O-N 3.13Å; L532-L780 HydrophobicContact CD1-CD1 4.41Å; L532-L780 HydrophobicContact CD2-CD1 4.18Å; L532-L780 HydrophobicContact CG-CD1 4.46Å; T558-L780 HydrophobicContact CG2-CD1 3.78Å; T558-L780 HydrophobicContact CG2-CD2 3.93Å; T558-L780 HydrophobicContact CG2-CG 4.48Å; L578-L780 HydrophobicContact CD1-CB 4.11Å; V581-L780 HydrophobicContact CB-CD2 4.43Å; V581-L780 HydrophobicContact CG1-CD2 3.98Å; V581-L780 HydrophobicContact CG2-CD2 3.78Å; P777-L780 HydrophobicContact CB-CD2 3.88Å; L780-Y782 HydrophobicContact CB-CD2 4.21Å; L780-Y782 HydrophobicContact CB-CE2 3.73Å; L780-Y782 HydrophobicContact CD1-CE2 4.21Å
781	F	97.6	Very high	86.5	Confident	2 Å²	2	39 Å²	39	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121	-177.2	-60.6	-96.3	0	0	0	110.7	I95 V98 L204 T529 F579 A580 V582 L779	I95-F781 HydrophobicContact CD1-CZ 4.47Å; V98-F781 HydrophobicContact CB-CE2 4.47Å; V98-F781 HydrophobicContact CG1-CB 4.42Å; V98-F781 HydrophobicContact CG1-CD1 3.85Å; V98-F781 HydrophobicContact CG1-CD2 3.69Å; V98-F781 HydrophobicContact CG1-CE1 3.92Å; V98-F781 HydrophobicContact CG1-CE2 3.78Å; V98-F781 HydrophobicContact CG1-CG 3.72Å; V98-F781 HydrophobicContact CG1-CZ 3.88Å; V98-F781 HydrophobicContact CG2-CD2 4.48Å; V98-F781 HydrophobicContact CG2-CE2 4.31Å; L204-F781 HydrophobicContact CD2-CE1 3.81Å; L204-F781 HydrophobicContact CD2-CZ 3.9Å; T529-F781 HydrophobicContact CG2-CD1 4.18Å; T529-F781 HydrophobicContact CG2-CE1 3.71Å; T529-F781 HydrophobicContact CG2-CZ 4.1Å; F579-F781 HydrophobicContact CD1-CB 4.2Å; F579-F781 VanDerWaalsContact CD1-O 3.25Å; F579-F781 WeakPolarHBondContact CD1-O 3.36Å; F579-F781 HydrophobicContact CE1-CB 3.6Å; F579-F781 HydrophobicContact CZ-CB 3.82Å; F579-F781 PolarHBondContact N-O 2.99Å; A580-F781 HydrophobicContact CB-CB 4.07Å; A580-F781 HydrophobicContact CB-CD2 4.24Å; A580-F781 HydrophobicContact CB-CG 4.46Å; A580-F781 PolarHBondContact N-O 3.09Å; A580-F781 PolarHBondContact O-N 3.05Å; V582-F781 HydrophobicContact CG2-CE2 4.04Å; L779-F781 HydrophobicContact CB-CD2 4.41Å; L779-F781 HydrophobicContact CB-CE2 3.52Å; L779-F781 HydrophobicContact CB-CZ 3.91Å; L779-F781 HydrophobicContact CD1-CE2 4.34Å; L779-F781 HydrophobicContact CD1-CZ 4.03Å
782	Y	96.5	Very high	88.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.9	-170.9	-80.7	-84.8	0	0	0	109.9	L485 V527 I528 I530 P559 L562 G577 L578 L780	L485-Y782 HydrophobicContact CD2-CE2 3.96Å; L485-Y782 WeakPolarHBondContact CD2-OH 3.45Å; V527-Y782 CarbonylContact C-O 3.55Å; V527-Y782 VanDerWaalsContact CA-O 3.32Å; V527-Y782 WeakPolarHBondContact CA-O 3.41Å; I528-Y782 PolarHBondContact N-O 3.04Å; I528-Y782 PolarHBondContact O-N 3.27Å; I530-Y782 HydrophobicContact CD1-CD2 3.99Å; I530-Y782 HydrophobicContact CD1-CE2 3.89Å; I530-Y782 HydrophobicContact CG1-CD2 4.34Å; P559-Y782 WeakPolarHBondContact O-CE1 3.3Å; P559-Y782 PolarHBondContact O-OH 2.97Å; L562-Y782 HydrophobicContact CB-CD1 3.79Å; L562-Y782 HydrophobicContact CB-CE1 3.6Å; L562-Y782 HydrophobicContact CD2-CD1 4.24Å; L562-Y782 HydrophobicContact CD2-CD2 4.11Å; L562-Y782 HydrophobicContact CD2-CE1 4.24Å; L562-Y782 HydrophobicContact CD2-CE2 4.1Å; L562-Y782 HydrophobicContact CD2-CG 4.17Å; G577-Y782 CarbonylContact O-C 3.55Å; G577-Y782 WeakPolarHBondContact O-CA 3.41Å; L578-Y782 HydrophobicContact CB-CD1 4.07Å; L578-Y782 HydrophobicContact CB-CE1 3.71Å; L578-Y782 HydrophobicContact CD1-CD1 4.3Å; L578-Y782 HydrophobicContact CD1-CD2 4.05Å; L578-Y782 HydrophobicContact CD1-CE1 3.93Å; L578-Y782 HydrophobicContact CD1-CE2 3.66Å; L578-Y782 HydrophobicContact CD1-CG 4.36Å; L578-Y782 HydrophobicContact CG-CE1 4.42Å; L780-Y782 HydrophobicContact CB-CD2 4.21Å; L780-Y782 HydrophobicContact CB-CE2 3.73Å; L780-Y782 HydrophobicContact CD1-CE2 4.21Å
783	K	94.6	Very high	90.2	Very high	59 Å²	59	35.8 Å²	35.8	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139	176.5	-170.9	-147.8	-178.3	177.6	0	109.4	P103 Y576 G577 F579	P103-K783 HydrophobicContact CG-CD 3.92Å; P103-K783 HydrophobicContact CG-CG 4.23Å; Y576-K783 CarbonylContact C-O 3.58Å; Y576-K783 VanDerWaalsContact CA-O 3.25Å; Y576-K783 WeakPolarHBondContact CA-O 3.33Å; Y576-K783 VanDerWaalsContact CD1-C 3.46Å; G577-K783 PolarHBondContact N-O 3.47Å; G577-K783 PolarHBondContact O-N 2.95Å; F579-K783 HydrophobicContact CD1-CB 3.71Å; F579-K783 HydrophobicContact CE1-CB 4.18Å; F579-K783 HydrophobicContact CG-CB 4.39Å
784	K	93.1	Very high	92.1	Very high	57 Å²	57	29.8 Å²	29.8	25%	0.248	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	141.1	169.3	-163.3	163.7	-179	161.4	0	110.9	E526 D574 Y576	E526-K784 PolarHBondContact O-N 3.28Å; D574-K784 VanDerWaalsContact CG-CE 3.49Å; D574-K784 WeakPolarHBondContact OD1-CE 3.33Å; D574-K784 IonicContact OD1-NZ 3.36Å; D574-K784 PolarHBondContact OD1-NZ 3.49Å; D574-K784 IonicContact OD2-NZ 2.76Å; D574-K784 PolarHBondContact OD2-NZ 2.75Å; Y576-K784 HydrophobicContact CD1-CB 4.11Å; Y576-K784 VanDerWaalsContact CD1-N 3.3Å; Y576-K784 HydrophobicContact CE1-CB 3.69Å; Y576-K784 HydrophobicContact CE1-CG 4.24Å
785	L	89.9	Confident	93.3	Very high	139 Å²	139	27.3 Å²	27.3	73%	0.728	14%	0.139	S	C	*	.			trans	-102.3	0	-176.6	-63.4	178.2	0	0	0	112.7	K561 S575	K561-L785 HydrophobicContact CD-CD1 4.2Å; K561-L785 HydrophobicContact CG-CD1 4.38Å; S575-L785 PolarHBondContact O-N 2.65Å

Retrieved 785 of 785 residues in 353.2 ms (Link to these results)

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