A0A087YEH5_POEFO Loading...

EMAP like 2

AlphaFold DB , UniProt , Accession A0A087YEH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 860 aa.

						>A0A087YEH5_POEFO|A0A087YEH5
MDVGETGRGDGVKTRRRRAKGGRGSPPRAGGAADRDGRGEERDRMSERIASCGSLCDSTNLLLQYCNNDDTVSASSNMDMEDRVSHLEQRLQLQEDEIQLLKAALADALRRLGYCEEQSQGPHAGGAHAGRRPLAAAASTPPTKVRQLLQALPSRPLSNGYVQQKRLLSSPSSPKKEVLQSIKRKSMSTERLTLVRREMAAESRSRTTSSSSSSGGKSKSKECTYNAEDGYVRMFLRGRPVTMHVPDQQRDGFNLDQKVALPDKKLKLQWVYGYRGRDCRCNLYLLPTGEIVYFNASVVVLYNTEEQQQRHYLGHNDDVKCLSVHPDMVTIATGQVAGNSKDGKLLAPHVRIWDSVSLNTLHVIGMGAFDRAVTCVSFSKSNGGSFLCAVDDANDHILSVWNWQKEKQLAEVKCSNDSVLAAVFHPMDTNLIVTCGKSHINFWTMEGNALTKRQGLFEKHEKPKYVLCVAFAENGDAITGDSSGNLYVWAKGGNRISQVVSGAHEGGIFSVCVLKDGTMVSGGGKDRKVALWDHNYRKQAEMEVGELLGPVRALAEGKPGELFVGTTKNAIIRAAFPDTLTPIVQGHTDELWGLDVHPSMEQFVTCSQDKQVHLWDTSTHQPLWSKTLEDPGRSAGFHPSGAVLAVGTMTGRWLVLDTDTRDLVSMHTDGSEIISNVKYSPDGNFLAVASHDNFVYIYAVSESGKKYSRVGKCTGHSSFVTHLDWSADSQYLVTNSGDYEILFWEASSGKHVTNMDTVRNLEWATSTCTLSFSTFGIWPDGADGTDINAVCRSHDGSLLASADDFGKVQLFAFPCSQPRAPSHEYGGHSSHVTNVAFLHDDSHLISTGGKDTSILQWVVA
					

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	34.5	Very low	220 Å²	220	138.2 Å²	138.2	100%	1.084	82%	0.823	S	S	*	*				0	56.4	0	-56.1	-176	-167.3	0	0	107.8
2	D	31.3	Very low	34.3	Very low	138 Å²	138	138.5 Å²	138.5	74%	0.738	83%	0.826	S	S	*	*				92.5	102.6	59.6	-62.3	-18.3	0	0	0	109.1
3	V	34.9	Very low	34.4	Very low	143 Å²	143	143.1 Å²	143.1	87%	0.867	83%	0.829	S	S	*	*				83.4	132.2	100.2	-179.8	0	0	0	0	110.1
4	G	35.2	Very low	34.1	Very low	59 Å²	59	141.8 Å²	141.8	61%	0.608	82%	0.824	S	S	*	*			cis	159.3	-174.8	3.1	0	0	0	0	0	110.3
5	E	38.5	Very low	33.8	Very low	186 Å²	186	148 Å²	148	87%	0.869	83%	0.828	S	S	*	*			trans	86.1	116.4	-177.1	-54.4	-170.4	149.5	0	0	115.4
6	T	38.9	Very low	33.8	Very low	140 Å²	140	153.2 Å²	153.2	86%	0.859	83%	0.831	S	S	*	*			cis	79.9	105.9	24.6	81.1	0	0	0	0	117.6
7	G	32	Very low	33.5	Very low	81 Å²	81	158.5 Å²	158.5	84%	0.835	84%	0.836	S	S	*	*			trans	-144.7	130.9	157.7	0	0	0	0	0	110.1
8	R	36.4	Very low	33.4	Very low	258 Å²	258	163.1 Å²	163.1	97%	0.974	84%	0.84	S	S	*	*			trans	-135.6	158.8	-174.3	-101.4	-171.2	177.6	-175.3	1.6	111
9	G	31.6	Very low	33.4	Very low	64 Å²	64	159.2 Å²	159.2	66%	0.66	83%	0.834	S	S	*	*			trans	95.3	146.3	164.4	0	0	0	0	0	113.6
10	D	30.8	Very low	33.4	Very low	166 Å²	166	162 Å²	162	89%	0.888	84%	0.84	S	S	*	*			cis	-148.4	159.7	-9.5	-83.7	-44.9	0	0	0	105.7
11	G	31.2	Very low	33.3	Very low	65 Å²	65	158 Å²	158	67%	0.67	84%	0.838	S	S	*	*			cis	101.4	100.4	35.9	0	0	0	0	0	110.4
12	V	31.9	Very low	33	Very low	142 Å²	142	151.2 Å²	151.2	86%	0.861	83%	0.825	S	S	*	*			trans	-176.2	135.5	144.7	143.3	0	0	0	0	111.3
13	K	35.4	Very low	33.1	Very low	198 Å²	198	157 Å²	157	86%	0.861	84%	0.836	S	S	*	*			trans	-116.6	137.2	170.6	-68.5	170.3	175.2	169.2	0	109.5
14	T	31.1	Very low	32.8	Very low	125 Å²	125	153.7 Å²	153.7	77%	0.767	83%	0.832	S	S	*	*			trans	-179.3	154.8	153.2	28.8	0	0	0	0	111
15	R	29.8	Very low	32.6	Very low	235 Å²	235	156.5 Å²	156.5	89%	0.887	84%	0.842	S	S	*	*			cis	-164.9	156.1	-29.2	-150.7	175.6	-174.8	-178.6	2.3	109.2
16	R	32.8	Very low	33.5	Very low	231 Å²	231	153.4 Å²	153.4	87%	0.872	84%	0.838	S	S	*	*			trans	-61.7	155.4	175.7	-61.5	167.2	165.3	171.7	-6.5	115.6
17	R	29.2	Very low	34.7	Very low	244 Å²	244	151.9 Å²	151.9	92%	0.921	83%	0.831	S	S	*	*				-176.2	136.8	125.7	-98.4	163.6	-179.6	-163.5	-0.4	108.7
18	R	31.4	Very low	34.7	Very low	241 Å²	241	159.8 Å²	159.8	91%	0.909	84%	0.835	S	S	*	*			cis	93.3	104.9	17.4	-155.4	-167	-156	-151.1	7.9	116.5
19	A	32.8	Very low	34.6	Very low	88 Å²	88	152 Å²	152	73%	0.727	83%	0.826	S	S	*	*			trans	-163.9	117.6	152.9	0	0	0	0	0	108.7
20	K	35.1	Very low	34.5	Very low	215 Å²	215	153 Å²	153	94%	0.935	84%	0.837	S	S	*	*				75	132.1	86.8	-77.3	-172.2	174.3	-175.4	0	114.4
21	G	29.4	Very low	34.4	Very low	78 Å²	78	148.6 Å²	148.6	80%	0.804	83%	0.83	S	S	*	*			cis	164.2	170.9	-11.5	0	0	0	0	0	115.5
22	G	32.3	Very low	34.4	Very low	79 Å²	79	150.6 Å²	150.6	81%	0.814	84%	0.84	S	S	*	*			trans	76.4	154.9	153.1	0	0	0	0	0	117.9
23	R	33.7	Very low	34.4	Very low	258 Å²	258	147.7 Å²	147.7	97%	0.974	83%	0.831	S	S	*	*			cis	-147.5	169.8	-8.2	-65.3	176.2	173.3	-174.8	-3	105.3
24	G	29.3	Very low	34.2	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	83%	0.829	S	S	*	*			cis	176.7	-172.7	11.5	0	0	0	0	0	109.5
25	S	31.3	Very low	34.3	Very low	118 Å²	118	149.5 Å²	149.5	83%	0.825	83%	0.83	S	S	*	*			trans	-137.6	-173.5	-172.4	-1.5	0	0	0	0	110.2
26	P	56.4	Low	34.3	Very low	120 Å²	120	145.3 Å²	145.3	78%	0.779	83%	0.825	S	S	*	*			cis	-130.9	-125.7	-24.8	29.5	-4	0	0	0	112.6
27	P	64.5	Low	34.1	Very low	109 Å²	109	137.6 Å²	137.6	71%	0.708	82%	0.817	S	S	*	*				-126	-167.2	-91.7	37.8	-18.5	0	0	0	117.1
28	R	32.8	Very low	34	Very low	247 Å²	247	138.2 Å²	138.2	93%	0.932	82%	0.82	S	S	*	*			trans	101.5	153.5	166.2	-67	-178.4	165.6	-174	-4.7	116.6
29	A	33.9	Very low	33.7	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	81%	0.808	S	S	*	*			cis	-172.7	156.8	-22.8	0	0	0	0	0	111.5
30	G	29.2	Very low	33.6	Very low	86 Å²	86	134.4 Å²	134.4	89%	0.887	81%	0.814	S	S	*	*			trans	77.7	154.1	165.6	0	0	0	0	0	117
31	G	29.5	Very low	33.3	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	80%	0.797	S	S	*	*			cis	164.2	149.8	-8.8	0	0	0	0	0	112.3
32	A	30.7	Very low	33.4	Very low	107 Å²	107	135.7 Å²	135.7	88%	0.884	79%	0.794	S	S	*	*			trans	61.3	165.9	172.2	0	0	0	0	0	117.4
33	A	32.3	Very low	33.2	Very low	82 Å²	82	137.9 Å²	137.9	68%	0.678	79%	0.787	S	S	*	*			cis	-167.6	168.7	-34.6	0	0	0	0	0	108.4
34	D	31	Very low	33	Very low	151 Å²	151	137 Å²	137	81%	0.807	78%	0.784	S	S	*	*			trans	63.3	166	168.2	-65.6	-32.9	0	0	0	119
35	R	32.2	Very low	32.8	Very low	209 Å²	209	141.8 Å²	141.8	79%	0.789	79%	0.788	S	S	*	*			cis	176.3	139.7	-48.2	-124.4	-173.2	179.6	-172.1	0.8	107.7
36	D	30.9	Very low	32.6	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	79%	0.787	S	S	*	*			trans	60.4	148.9	152.6	-62	-40.6	0	0	0	123.6
37	G	27.9	Very low	31.2	Very low	69 Å²	69	142.5 Å²	142.5	71%	0.711	78%	0.781	S	S	*	*			trans	107.7	97.8	165	0	0	0	0	0	114.3
38	R	27.6	Very low	29.5	Very low	258 Å²	258	146.7 Å²	146.7	97%	0.974	78%	0.783	S	S	*	*				68.2	136.6	64.5	-69.9	-162.3	-176.8	-151.1	4.3	116
39	G	25.6	Very low	29.2	Very low	64 Å²	64	142.3 Å²	142.3	66%	0.66	78%	0.776	S	S	*	*			trans	110.6	113.4	171.9	0	0	0	0	0	111.4
40	E	29.3	Very low	28.9	Very low	185 Å²	185	142 Å²	142	86%	0.864	77%	0.773	S	S	*	*				63.1	134.8	61.5	-61.9	-175.4	161.1	0	0	112
41	E	29.5	Very low	28.6	Very low	120 Å²	120	142.8 Å²	142.8	56%	0.561	77%	0.765	S	S	*	*			cis	-166.5	151.9	4.2	-123	-165.1	156.7	0	0	110.2
42	R	30.8	Very low	28.3	Very low	199 Å²	199	145.4 Å²	145.4	75%	0.751	77%	0.771	S	S	*	*			trans	58.8	164.5	151.1	-55.1	180	-164.6	-175	16.2	117.5
43	D	29.8	Very low	27.9	Very low	126 Å²	126	143.6 Å²	143.6	67%	0.674	76%	0.762	S	S	*	*			cis	-156.9	139.6	2.6	-145.7	-3.9	0	0	0	111.4
44	R	28.3	Very low	27.6	Very low	240 Å²	240	144.8 Å²	144.8	91%	0.906	77%	0.766	S	S	*	*				149.8	148.5	129.8	-83.7	179.2	-178.4	-149.9	-2	116.2
45	M	26.2	Very low	27.1	Very low	174 Å²	174	145.3 Å²	145.3	86%	0.857	77%	0.768	S	S	*	*			trans	-127.6	131	-152.4	174.8	93.2	161.8	0	0	111.3
46	S	27.1	Very low	26.7	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	77%	0.765	S	S	*	*			trans	-178.7	135.7	152.5	31.6	0	0	0	0	109.3
47	E	27	Very low	26.2	Very low	140 Å²	140	140.2 Å²	140.2	65%	0.654	76%	0.763	S	S	*	*			cis	-149.4	143	-4.1	-101.3	-166.3	127.9	0	0	110.6
48	R	28.1	Very low	26	Very low	197 Å²	197	142.8 Å²	142.8	74%	0.743	77%	0.771	S	S	*	*			trans	52.7	142.4	137.2	-61.1	-169.1	-158.5	-149.5	4.6	120.7
49	I	26.7	Very low	25.9	Very low	155 Å²	155	136 Å²	136	80%	0.795	76%	0.758	S	S	*	*			cis	-179.8	160.7	-13.2	-120.2	165.4	0	0	0	103.9
50	A	26.7	Very low	25.8	Very low	87 Å²	87	139.5 Å²	139.5	72%	0.719	76%	0.762	S	S	*	*			cis	173.7	155.6	-24.1	0	0	0	0	0	104.7
51	S	24.1	Very low	25.6	Very low	103 Å²	103	139.4 Å²	139.4	72%	0.72	77%	0.766	S	S	*	*			cis	-165.6	146.6	-1.9	174.6	0	0	0	0	104.5
52	C	22.1	Very low	25.3	Very low	126 Å²	126	140.1 Å²	140.1	85%	0.851	77%	0.773	S	S	*	*				41.2	145.5	77.8	-112.2	0	0	0	0	114.1
53	G	22	Very low	25	Very low	69 Å²	69	138 Å²	138	71%	0.711	78%	0.776	S	S	*	*			cis	173	171.7	6.4	0	0	0	0	0	108.3
54	S	26	Very low	24.7	Very low	108 Å²	108	140 Å²	140	76%	0.755	78%	0.781	S	S	*	*			trans	-60.4	154	-177.8	46.7	0	0	0	0	115.1
55	L	22.1	Very low	24.5	Very low	161 Å²	161	138.6 Å²	138.6	84%	0.843	78%	0.777	S	S	*	*				176.9	167.3	110.3	-92	165.8	0	0	0	114.1
56	C	22.3	Very low	24.5	Very low	107 Å²	107	135.7 Å²	135.7	72%	0.723	77%	0.773	S	S	*	*			trans	-66.5	168.9	-157.8	-52	0	0	0	0	120.3
57	D	22	Very low	24.3	Very low	142 Å²	142	137.5 Å²	137.5	76%	0.759	77%	0.774	S	S	*	*			trans	73.6	119.5	142.2	-108.9	-28.1	0	0	0	121.7
58	S	22.3	Very low	24.1	Very low	124 Å²	124	137.6 Å²	137.6	87%	0.867	78%	0.779	S	S	*	*			trans	-168.5	116.6	136.1	-81.5	0	0	0	0	110.6
59	T	25.4	Very low	23.9	Very low	116 Å²	116	135.9 Å²	135.9	71%	0.712	78%	0.784	S	S	*	*			trans	-77.8	159.9	173.6	31.7	0	0	0	0	112.8
60	N	24.2	Very low	23.9	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	78%	0.784	S	S	*	*			trans	59.8	101.2	155.6	-72	-49.1	0	0	0	119.2
61	L	24.5	Very low	23.8	Very low	183 Å²	183	137.7 Å²	137.7	96%	0.958	79%	0.789	S	S	*	*			trans	-138.3	101.3	139.1	-112	159.6	0	0	0	108.8
62	L	24.7	Very low	23.9	Very low	135 Å²	135	138.8 Å²	138.8	71%	0.707	79%	0.791	S	S	*	*			trans	-105.7	158.8	-179.1	-129	163.2	0	0	0	109.1
63	L	24.6	Very low	24.2	Very low	153 Å²	153	138 Å²	138	80%	0.801	79%	0.787	S	S	*	*			trans	76.6	101.9	167.7	-60.4	155.2	0	0	0	117.7
64	Q	23.2	Very low	24.8	Very low	168 Å²	168	139.8 Å²	139.8	79%	0.785	79%	0.794	S	S	*	*				-167.7	150.1	106.4	-101.8	173.4	4.1	0	0	111.5
65	Y	24.2	Very low	25.1	Very low	211 Å²	211	139.8 Å²	139.8	83%	0.827	79%	0.794	S	S	*	*	S	Bend	trans	66.5	108.7	-177.8	-57.3	-82.4	0	0	0	114.9
66	C	25.1	Very low	25.8	Very low	114 Å²	114	136.4 Å²	136.4	77%	0.77	78%	0.784	S	S	*	*			cis	-152.2	150.2	30.6	-74.1	0	0	0	0	112.2
67	N	22.9	Very low	26.7	Very low	152 Å²	152	138.3 Å²	138.3	81%	0.813	79%	0.787	S	S	*	*			trans	-116.8	157.8	164.5	-105.1	2.7	0	0	0	109.1
68	N	23.6	Very low	27.9	Very low	142 Å²	142	136 Å²	136	76%	0.759	77%	0.773	S	S	*	*			trans	74.8	137	179.6	-50.3	6.5	0	0	0	112.8
69	D	23.9	Very low	29.9	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	76%	0.762	S	S	*	*			cis	-135.1	171	23.8	-88.3	-45.5	0	0	0	114.3
70	D	25.6	Very low	31.1	Very low	148 Å²	148	138 Å²	138	79%	0.791	77%	0.766	S	S	*	*			trans	-76.7	165.2	-170.9	-81.8	-58	0	0	0	117.8
71	T	25.9	Very low	32.5	Very low	133 Å²	133	139.3 Å²	139.3	82%	0.816	77%	0.768	S	S	*	*			trans	101.6	137	152.3	72.9	0	0	0	0	120.8
72	V	25.5	Very low	33.9	Very low	126 Å²	126	135.1 Å²	135.1	76%	0.764	75%	0.746	S	S	*	*			trans	99.3	100.3	160.1	-168.1	0	0	0	0	118.8
73	S	29	Very low	35.7	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	74%	0.735	S	S	*	*			trans	69.1	122	152	66.9	0	0	0	0	120.1
74	A	33.7	Very low	37.8	Very low	105 Å²	105	130.5 Å²	130.5	87%	0.868	72%	0.716	S	S	*	*			trans	-89.6	121.5	179.9	0	0	0	0	0	112.7
75	S	33.6	Very low	39.8	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	70%	0.702	S	S	*	*			trans	-157.5	61.8	163.6	57	0	0	0	0	112.1
76	S	35.8	Very low	41.8	Very low	90 Å²	90	119.7 Å²	119.7	63%	0.629	68%	0.681	S	S	*	*			trans	-148.3	107.8	175.7	57.9	0	0	0	0	113
77	N	40.5	Very low	43.8	Very low	146 Å²	146	119.1 Å²	119.1	78%	0.781	67%	0.67	S	S	*	*				178.8	65	127.1	-85.4	-2	0	0	0	109.3
78	M	48.3	Very low	46.3	Very low	93 Å²	93	117.4 Å²	117.4	46%	0.458	66%	0.657	S	S	.	*	S	Bend	trans	-90.4	144.1	146.9	-75.1	168.4	70.7	0	0	106.6	D82 R83 H86	M78-D82 HydrophobicContact CB-CB 4.33Å; M78-D82 HydrophobicContact CE-CB 3.93Å; M78-D82 WeakPolarHBondContact CE-O 3.44Å; M78-R83 HydrophobicContact CB-CG 3.49Å; M78-R83 VanDerWaalsContact CB-CG 3.49Å; M78-R83 HydrophobicContact CE-CG 4.47Å; M78-R83 WeakPolarHBondContact O-CD 3.23Å; M78-R83 HydrophobicContact SD-CG 4.46Å; M78-H86 HydrophobicContact CE-CB 3.99Å
79	D	64.4	Low	48.3	Very low	122 Å²	122	116.6 Å²	116.6	65%	0.652	65%	0.648	S	S	*	*			trans	-64	158.6	176.2	-71.7	-52.5	0	0	0	111.1	E81 D82 R83	D79-E81 PolarHBondContact O-N 3.06Å; D79-D82 PolarHBondContact O-N 3Å; D79-R83 WeakPolarHBondContact O-CG 3.17Å; D79-R83 PolarHBondContact O-N 2.99Å
80	M	50.6	Low	50.6	Low	161 Å²	161	115.2 Å²	115.2	79%	0.793	63%	0.631	S	S	*	*	H	α-helix	trans	-61.5	-37	-170.6	-161.6	176.1	-163.6	0	0	111.9	R83 V84	M80-R83 PolarHBondContact O-N 3.11Å; M80-V84 VanDerWaalsContact O-CG2 3.28Å; M80-V84 WeakPolarHBondContact O-CG2 3.33Å; M80-V84 PolarHBondContact O-N 3.22Å
81	E	52.5	Low	53	Low	165 Å²	165	112.6 Å²	112.6	77%	0.771	62%	0.617	S	S	*	*	H	α-helix	trans	-68.6	-46.2	177.2	-66	172.1	164.1	0	0	111.8	D79 R83 V84 S85	D79-E81 PolarHBondContact O-N 3.06Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.08Å; E81-V84 PolarHBondContact O-N 3.06Å; E81-V84 VanDerWaalsContact O-N 3.16Å; E81-S85 WeakPolarHBondContact O-CB 3.5Å; E81-S85 PolarHBondContact O-N 3.26Å
82	D	54.3	Low	55	Low	94 Å²	94	111 Å²	111	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-59.3	-38.4	173.4	-77	-10.8	0	0	0	112	M78 D79 H86	M78-D82 HydrophobicContact CB-CB 4.33Å; M78-D82 HydrophobicContact CE-CB 3.93Å; M78-D82 WeakPolarHBondContact CE-O 3.44Å; D79-D82 PolarHBondContact O-N 3Å; D82-H86 VanDerWaalsContact O-CB 3.26Å; D82-H86 WeakPolarHBondContact O-CB 3.43Å; D82-H86 PolarHBondContact O-N 3.27Å
83	R	62.5	Low	56.9	Low	126 Å²	126	110 Å²	110	48%	0.475	59%	0.59	S	S	.	*	H	α-helix	trans	-68.6	-39.7	176.5	-71.1	177.8	66.5	-177.8	0.8	111.9	M78 D79 M80 E81 L87	M78-R83 HydrophobicContact CB-CG 3.49Å; M78-R83 VanDerWaalsContact CB-CG 3.49Å; M78-R83 HydrophobicContact CE-CG 4.47Å; M78-R83 WeakPolarHBondContact O-CD 3.23Å; M78-R83 HydrophobicContact SD-CG 4.46Å; D79-R83 WeakPolarHBondContact O-CG 3.17Å; D79-R83 PolarHBondContact O-N 2.99Å; M80-R83 PolarHBondContact O-N 3.11Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.08Å; R83-L87 VanDerWaalsContact O-CB 3.26Å; R83-L87 WeakPolarHBondContact O-CB 3.49Å; R83-L87 WeakPolarHBondContact O-CD1 3.47Å; R83-L87 WeakPolarHBondContact O-CG 3.27Å; R83-L87 PolarHBondContact O-N 3.06Å
84	V	69	Low	58.9	Low	66 Å²	66	109.4 Å²	109.4	40%	0.4	58%	0.575	S	S	.	*	H	α-helix	trans	-64.9	-52.5	175.1	166.5	0	0	0	0	109.4	M80 E81 H86 L87 E88	M80-V84 VanDerWaalsContact O-CG2 3.28Å; M80-V84 WeakPolarHBondContact O-CG2 3.33Å; M80-V84 PolarHBondContact O-N 3.22Å; E81-V84 PolarHBondContact O-N 3.06Å; E81-V84 VanDerWaalsContact O-N 3.16Å; V84-H86 PolarHBondContact O-N 2.85Å; V84-L87 CarbonylContact O-C 3.53Å; V84-L87 WeakPolarHBondContact O-CA 3.29Å; V84-L87 PolarHBondContact O-N 2.76Å; V84-E88 VanDerWaalsContact CG1-CD 3.48Å; V84-E88 HydrophobicContact CG1-CG 4.18Å; V84-E88 VanDerWaalsContact CG1-OE1 3.26Å; V84-E88 WeakPolarHBondContact CG1-OE1 3.28Å; V84-E88 WeakPolarHBondContact O-CB 3.42Å; V84-E88 WeakPolarHBondContact O-CG 3.27Å; V84-E88 PolarHBondContact O-N 2.72Å
85	S	65.8	Low	60.7	Low	70 Å²	70	109.1 Å²	109.1	49%	0.49	56%	0.555	S	S	.	*	H	α-helix	trans	-58	-44	178.9	-178.7	0	0	0	0	113.2	E81 L87 E88 Q89	E81-S85 WeakPolarHBondContact O-CB 3.5Å; E81-S85 PolarHBondContact O-N 3.26Å; S85-L87 PolarHBondContact O-N 3.39Å; S85-E88 PolarHBondContact O-N 2.89Å; S85-Q89 WeakPolarHBondContact O-CB 3.32Å; S85-Q89 PolarHBondContact O-N 3.29Å
86	H	65.8	Low	62.2	Low	81 Å²	81	107.9 Å²	107.9	38%	0.375	54%	0.541	S	S	.	.	H	α-helix	trans	-68	-32.1	175	169.3	-94.2	0	0	0	113	M78 D82 V84 R90	M78-H86 HydrophobicContact CE-CB 3.99Å; D82-H86 VanDerWaalsContact O-CB 3.26Å; D82-H86 WeakPolarHBondContact O-CB 3.43Å; D82-H86 PolarHBondContact O-N 3.27Å; V84-H86 PolarHBondContact O-N 2.85Å; H86-R90 VanDerWaalsContact CE1-CD 3.46Å; H86-R90 WeakPolarHBondContact CE1-CD 3.39Å; H86-R90 WeakPolarHBondContact O-CB 3.38Å; H86-R90 WeakPolarHBondContact O-CG 3.32Å; H86-R90 PolarHBondContact O-N 3.38Å; H86-R90 VanDerWaalsContact O-N 3.09Å
87	L	66.9	Low	63.7	Low	102 Å²	102	109.1 Å²	109.1	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-74.2	-36.4	173.9	-75.5	170	0	0	0	112	R83 V84 S85 R90 L91	R83-L87 VanDerWaalsContact O-CB 3.26Å; R83-L87 WeakPolarHBondContact O-CB 3.49Å; R83-L87 WeakPolarHBondContact O-CD1 3.47Å; R83-L87 WeakPolarHBondContact O-CG 3.27Å; R83-L87 PolarHBondContact O-N 3.06Å; V84-L87 CarbonylContact O-C 3.53Å; V84-L87 WeakPolarHBondContact O-CA 3.29Å; V84-L87 PolarHBondContact O-N 2.76Å; S85-L87 PolarHBondContact O-N 3.39Å; L87-R90 PolarHBondContact O-N 3.44Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.5Å; L87-L91 PolarHBondContact O-N 2.81Å
88	E	74.5	Confident	65.5	Low	116 Å²	116	106.2 Å²	106.2	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-46.2	172.7	-72.6	168.9	163.4	0	0	110.7	V84 S85 R90 L91 Q92	V84-E88 VanDerWaalsContact CG1-CD 3.48Å; V84-E88 HydrophobicContact CG1-CG 4.18Å; V84-E88 VanDerWaalsContact CG1-OE1 3.26Å; V84-E88 WeakPolarHBondContact CG1-OE1 3.28Å; V84-E88 WeakPolarHBondContact O-CB 3.42Å; V84-E88 WeakPolarHBondContact O-CG 3.27Å; V84-E88 PolarHBondContact O-N 2.72Å; S85-E88 PolarHBondContact O-N 2.89Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 3.44Å; E88-L91 WeakPolarHBondContact O-CB 3.3Å; E88-L91 PolarHBondContact O-N 3.48Å; E88-L91 VanDerWaalsContact O-N 3.14Å; E88-Q92 WeakPolarHBondContact O-CB 3.25Å; E88-Q92 PolarHBondContact O-N 3.44Å
89	Q	65.9	Low	66.2	Low	126 Å²	126	107.1 Å²	107.1	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-60.8	-40.1	174.8	-170.1	-178.9	30	0	0	111.9	S85 L93	S85-Q89 WeakPolarHBondContact O-CB 3.32Å; S85-Q89 PolarHBondContact O-N 3.29Å; Q89-L93 WeakPolarHBondContact O-CG 3.47Å; Q89-L93 PolarHBondContact O-N 2.97Å
90	R	73.1	Confident	65.9	Low	131 Å²	131	107.6 Å²	107.6	49%	0.494	53%	0.525	S	S	.	.	H	α-helix	trans	-71	-34.1	174.2	-78.1	-173	61.9	-175.8	-3.7	113.2	H86 L87 E88 Q94	H86-R90 VanDerWaalsContact CE1-CD 3.46Å; H86-R90 WeakPolarHBondContact CE1-CD 3.39Å; H86-R90 WeakPolarHBondContact O-CB 3.38Å; H86-R90 WeakPolarHBondContact O-CG 3.32Å; H86-R90 PolarHBondContact O-N 3.38Å; H86-R90 VanDerWaalsContact O-N 3.09Å; L87-R90 PolarHBondContact O-N 3.44Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 3.44Å; R90-Q94 WeakPolarHBondContact O-CB 3.3Å; R90-Q94 VanDerWaalsContact O-CG 3.27Å; R90-Q94 WeakPolarHBondContact O-CG 3.4Å; R90-Q94 PolarHBondContact O-N 2.99Å
91	L	75.8	Confident	66.4	Low	92 Å²	92	104.8 Å²	104.8	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-47.7	174.4	-175.4	70.6	0	0	0	109.6	L87 E88 L93 Q94 E95	L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.5Å; L87-L91 PolarHBondContact O-N 2.81Å; E88-L91 WeakPolarHBondContact O-CB 3.3Å; E88-L91 PolarHBondContact O-N 3.48Å; E88-L91 VanDerWaalsContact O-N 3.14Å; L91-L93 PolarHBondContact O-N 3.06Å; L91-Q94 CarbonylContact O-C 3.58Å; L91-Q94 WeakPolarHBondContact O-CA 3.46Å; L91-Q94 WeakPolarHBondContact O-CB 3.45Å; L91-Q94 PolarHBondContact O-N 3.36Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-E95 HydrophobicContact CG-CG 4.47Å; L91-E95 WeakPolarHBondContact O-CG 3.3Å; L91-E95 PolarHBondContact O-N 2.57Å
92	Q	67.6	Low	67.1	Low	100 Å²	100	102.4 Å²	102.4	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-57	-50.9	176.2	-171.6	64.3	55.7	0	0	111.5	E88 Q94 E95 D96	E88-Q92 WeakPolarHBondContact O-CB 3.25Å; E88-Q92 PolarHBondContact O-N 3.44Å; Q92-Q94 PolarHBondContact O-N 3.28Å; Q92-E95 PolarHBondContact O-N 3.5Å; Q92-D96 PolarHBondContact NE2-OD1 3.36Å; Q92-D96 PolarHBondContact O-N 2.91Å
93	L	64.5	Low	67.2	Low	106 Å²	106	100.7 Å²	100.7	56%	0.555	50%	0.498	S	S	*	.	H	α-helix	trans	-58.6	-35.1	176.4	-73	169.4	0	0	0	112.8	Q89 L91 E97	Q89-L93 WeakPolarHBondContact O-CG 3.47Å; Q89-L93 PolarHBondContact O-N 2.97Å; L91-L93 PolarHBondContact O-N 3.06Å; L93-E97 WeakPolarHBondContact O-CB 3.08Å; L93-E97 PolarHBondContact O-N 3.26Å
94	Q	71.2	Confident	67	Low	97 Å²	97	97.4 Å²	97.4	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-75.2	-33.6	174.9	-74.3	-174.1	-44.9	0	0	112.7	R90 L91 Q92 I98	R90-Q94 WeakPolarHBondContact O-CB 3.3Å; R90-Q94 VanDerWaalsContact O-CG 3.27Å; R90-Q94 WeakPolarHBondContact O-CG 3.4Å; R90-Q94 PolarHBondContact O-N 2.99Å; L91-Q94 CarbonylContact O-C 3.58Å; L91-Q94 WeakPolarHBondContact O-CA 3.46Å; L91-Q94 WeakPolarHBondContact O-CB 3.45Å; L91-Q94 PolarHBondContact O-N 3.36Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; Q92-Q94 PolarHBondContact O-N 3.28Å; Q94-I98 WeakPolarHBondContact O-CB 3.42Å; Q94-I98 WeakPolarHBondContact O-CD1 3.3Å; Q94-I98 WeakPolarHBondContact O-CG1 3.34Å; Q94-I98 PolarHBondContact O-N 2.91Å
95	E	72.7	Confident	66.8	Low	98 Å²	98	99.3 Å²	99.3	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-68.7	-41.3	174.3	-74.5	-177.4	170.3	0	0	111.1	L91 Q92 I98 Q99	L91-E95 HydrophobicContact CG-CG 4.47Å; L91-E95 WeakPolarHBondContact O-CG 3.3Å; L91-E95 PolarHBondContact O-N 2.57Å; Q92-E95 PolarHBondContact O-N 3.5Å; E95-I98 PolarHBondContact O-N 2.96Å; E95-Q99 VanDerWaalsContact O-CB 3.32Å; E95-Q99 WeakPolarHBondContact O-CB 3.4Å; E95-Q99 PolarHBondContact O-N 2.91Å
96	D	64.7	Low	66.9	Low	84 Å²	84	98 Å²	98	45%	0.449	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-47.3	172.7	-60.8	-18.4	0	0	0	111	Q92 I98 Q99 L100	Q92-D96 PolarHBondContact NE2-OD1 3.36Å; Q92-D96 PolarHBondContact O-N 2.91Å; D96-I98 PolarHBondContact O-N 2.98Å; D96-Q99 PolarHBondContact O-N 2.91Å; D96-L100 PolarHBondContact O-N 3.44Å
97	E	66.6	Low	66.3	Low	116 Å²	116	95.4 Å²	95.4	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-43.3	174.9	-173.3	-177.9	-168.2	0	0	111.4	L93 Q99 L100 L101	L93-E97 WeakPolarHBondContact O-CB 3.08Å; L93-E97 PolarHBondContact O-N 3.26Å; E97-Q99 VanDerWaalsContact C-N 3.31Å; E97-Q99 PolarHBondContact O-N 2.91Å; E97-L100 PolarHBondContact O-N 3.41Å; E97-L101 HydrophobicContact CG-CD1 4.11Å; E97-L101 WeakPolarHBondContact O-CB 3.5Å; E97-L101 WeakPolarHBondContact O-CG 3.46Å; E97-L101 PolarHBondContact O-N 2.86Å
98	I	78.4	Confident	66.1	Low	85 Å²	85	92.6 Å²	92.6	44%	0.436	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-37.3	175.1	-77.2	165.6	0	0	0	111.1	Q94 E95 D96 L101 K102	Q94-I98 WeakPolarHBondContact O-CB 3.42Å; Q94-I98 WeakPolarHBondContact O-CD1 3.3Å; Q94-I98 WeakPolarHBondContact O-CG1 3.34Å; Q94-I98 PolarHBondContact O-N 2.91Å; E95-I98 PolarHBondContact O-N 2.96Å; D96-I98 PolarHBondContact O-N 2.98Å; I98-L101 PolarHBondContact O-N 2.85Å; I98-K102 HydrophobicContact CG2-CD 4.28Å; I98-K102 VanDerWaalsContact CG2-CE 3.45Å; I98-K102 VanDerWaalsContact O-CG 3.26Å; I98-K102 WeakPolarHBondContact O-CG 3.32Å; I98-K102 PolarHBondContact O-N 2.81Å
99	Q	64.4	Low	65.9	Low	111 Å²	111	89.2 Å²	89.2	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-69.1	-42.3	178.2	-163.3	72.4	-15.3	0	0	111.2	E95 D96 E97 L101 K102 A103	E95-Q99 VanDerWaalsContact O-CB 3.32Å; E95-Q99 WeakPolarHBondContact O-CB 3.4Å; E95-Q99 PolarHBondContact O-N 2.91Å; D96-Q99 PolarHBondContact O-N 2.91Å; E97-Q99 VanDerWaalsContact C-N 3.31Å; E97-Q99 PolarHBondContact O-N 2.91Å; Q99-L101 PolarHBondContact O-N 2.96Å; Q99-K102 PolarHBondContact O-N 3.21Å; Q99-A103 PolarHBondContact O-N 2.83Å
100	L	56.8	Low	65.9	Low	132 Å²	132	89.2 Å²	89.2	69%	0.691	46%	0.459	S	S	*	.	H	α-helix	trans	-59.9	-44.4	171.4	-165	80.1	0	0	0	111.4	D96 E97 A103 A104	D96-L100 PolarHBondContact O-N 3.44Å; E97-L100 PolarHBondContact O-N 3.41Å; L100-A103 PolarHBondContact O-N 2.79Å; L100-A104 WeakPolarHBondContact O-CB 3.39Å; L100-A104 PolarHBondContact O-N 3.47Å
101	L	62.4	Low	65.3	Low	103 Å²	103	90.3 Å²	90.3	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-37.8	176.9	-73.5	168.7	0	0	0	112.6	E97 I98 Q99 L105	E97-L101 HydrophobicContact CG-CD1 4.11Å; E97-L101 WeakPolarHBondContact O-CB 3.5Å; E97-L101 WeakPolarHBondContact O-CG 3.46Å; E97-L101 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 2.85Å; Q99-L101 PolarHBondContact O-N 2.96Å; L101-L105 VanDerWaalsContact O-CB 3.28Å; L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 PolarHBondContact O-N 3.19Å
102	K	65.5	Low	64.9	Low	114 Å²	114	90.8 Å²	90.8	50%	0.496	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-44.3	172.3	-74.1	167.1	-167	157.5	0	111.2	I98 Q99 L105 A106	I98-K102 HydrophobicContact CG2-CD 4.28Å; I98-K102 VanDerWaalsContact CG2-CE 3.45Å; I98-K102 VanDerWaalsContact O-CG 3.26Å; I98-K102 WeakPolarHBondContact O-CG 3.32Å; I98-K102 PolarHBondContact O-N 2.81Å; Q99-K102 PolarHBondContact O-N 3.21Å; K102-L105 PolarHBondContact O-N 2.65Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.38Å
103	A	58.3	Low	64.9	Low	58 Å²	58	87 Å²	87	48%	0.479	45%	0.454	S	S	.	.	H	α-helix	trans	-62.5	-45.7	177.3	0	0	0	0	0	111.4	Q99 L100 L105 A106 D107	Q99-A103 PolarHBondContact O-N 2.83Å; L100-A103 PolarHBondContact O-N 2.79Å; A103-L105 PolarHBondContact O-N 3.47Å; A103-A106 PolarHBondContact O-N 2.77Å; A103-D107 WeakPolarHBondContact O-CB 3.4Å; A103-D107 PolarHBondContact O-N 2.75Å
104	A	56.8	Low	64.5	Low	57 Å²	57	88.8 Å²	88.8	47%	0.471	45%	0.454	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.1	0	0	0	0	0	112.7	L100 D107 A108	L100-A104 WeakPolarHBondContact O-CB 3.39Å; L100-A104 PolarHBondContact O-N 3.47Å; A104-D107 PolarHBondContact O-N 3.07Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.35Å
105	L	65.9	Low	64.1	Low	107 Å²	107	87.7 Å²	87.7	56%	0.56	46%	0.456	S	S	*	.	H	α-helix	trans	-67.5	-41.4	175.4	-178.7	61.8	0	0	0	112	L101 K102 A103 D107 A108 L109	L101-L105 VanDerWaalsContact O-CB 3.28Å; L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 PolarHBondContact O-N 3.19Å; K102-L105 PolarHBondContact O-N 2.65Å; A103-L105 PolarHBondContact O-N 3.47Å; L105-D107 VanDerWaalsContact C-N 3.34Å; L105-A108 PolarHBondContact O-N 3.06Å; L105-L109 HydrophobicContact CD1-CD1 4.47Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 4.23Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.43Å
106	A	67.3	Low	63.7	Low	41 Å²	41	87.1 Å²	87.1	34%	0.339	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-37	175.5	0	0	0	0	0	112	K102 A103 R110	K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.38Å; A103-A106 PolarHBondContact O-N 2.77Å; A106-R110 WeakPolarHBondContact O-CB 3.24Å; A106-R110 WeakPolarHBondContact O-CG 3.31Å; A106-R110 PolarHBondContact O-N 2.9Å; A106-R110 PolarHBondContact O-NE 2.77Å
107	D	54	Low	63.2	Low	28 Å²	28	90 Å²	90	15%	0.15	47%	0.465	C	S	.	.	H	α-helix	trans	-66.2	-44.8	171.6	-170.3	73.2	0	0	0	111.8	A103 A104 L105 L109 R110 R111 R239	A103-D107 WeakPolarHBondContact O-CB 3.4Å; A103-D107 PolarHBondContact O-N 2.75Å; A104-D107 PolarHBondContact O-N 3.07Å; L105-D107 VanDerWaalsContact C-N 3.34Å; D107-L109 PolarHBondContact O-N 2.89Å; D107-R110 PolarHBondContact O-N 3.37Å; D107-R111 WeakPolarHBondContact O-CG 3.39Å; D107-R111 PolarHBondContact O-N 3.26Å; D107-R111 IonicContact OD2-CZ 2.67Å; D107-R111 IonicContact OD2-NE 3.52Å; D107-R111 PolarHBondContact OD2-NE 3.32Å; D107-R111 IonicContact OD2-NH2 3.86Å; D107-R111 PolarHBondContact OD2-NH2 3.12Å; D107-R239 IonicContact OD1-CZ 3.72Å; D107-R239 IonicContact OD1-NE 2.72Å; D107-R239 IonicContact OD1-NH2 3.87Å; D107-R239 PolarHBondContact OD1-NH2 3.22Å
108	A	62.8	Low	62.3	Low	42 Å²	42	90.7 Å²	90.7	35%	0.347	47%	0.467	S	S	.	.	H	α-helix	trans	-60.7	-41.5	175.9	0	0	0	0	0	112.8	A104 L105 R111 L112	A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.35Å; L105-A108 PolarHBondContact O-N 3.06Å; A108-R111 PolarHBondContact O-N 3.18Å; A108-L112 WeakPolarHBondContact O-CG 3.26Å; A108-L112 PolarHBondContact O-N 3.41Å
109	L	68.6	Low	61	Low	45 Å²	45	91.5 Å²	91.5	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-66.6	-38.6	175	-71	170.6	0	0	0	112.3	L105 D107 L112 G113 V145 L149	L105-L109 HydrophobicContact CD1-CD1 4.47Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 4.23Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.43Å; D107-L109 PolarHBondContact O-N 2.89Å; L109-L112 PolarHBondContact O-N 2.9Å; L109-G113 PolarHBondContact O-N 2.81Å; L109-V145 HydrophobicContact CD2-CG1 4.45Å; L109-L149 HydrophobicContact CD1-CD2 4.41Å
110	R	66.6	Low	60.3	Low	127 Å²	127	94 Å²	94	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-44.8	172.7	-78.5	-176.5	-76.7	-176.4	-0	111.7	A106 D107 L112 G113 Y114 D738	A106-R110 WeakPolarHBondContact O-CB 3.24Å; A106-R110 WeakPolarHBondContact O-CG 3.31Å; A106-R110 PolarHBondContact O-N 2.9Å; A106-R110 PolarHBondContact O-NE 2.77Å; D107-R110 PolarHBondContact O-N 3.37Å; R110-L112 PolarHBondContact O-N 2.9Å; R110-G113 PolarHBondContact O-N 3.05Å; R110-Y114 PolarHBondContact O-N 3.11Å; R110-D738 IonicContact NH2-OD2 2.69Å
111	R	60.7	Low	59.3	Low	153 Å²	153	90.2 Å²	90.2	58%	0.577	49%	0.486	S	S	*	.	H	α-helix	trans	-61.3	-42.2	175.4	-68.2	178.1	-163.1	-148	6.4	112.2	D107 A108 Y114 C115	D107-R111 WeakPolarHBondContact O-CG 3.39Å; D107-R111 PolarHBondContact O-N 3.26Å; D107-R111 IonicContact OD2-CZ 2.67Å; D107-R111 IonicContact OD2-NE 3.52Å; D107-R111 PolarHBondContact OD2-NE 3.32Å; D107-R111 IonicContact OD2-NH2 3.86Å; D107-R111 PolarHBondContact OD2-NH2 3.12Å; A108-R111 PolarHBondContact O-N 3.18Å; R111-Y114 PolarHBondContact O-N 2.92Å; R111-C115 PolarHBondContact O-N 3.13Å; R111-C115 PolarHBondContact O-SG 2.65Å
112	L	66.3	Low	58.4	Low	102 Å²	102	91.7 Å²	91.7	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.7	-78	165.8	0	0	0	111.9	A108 L109 R110 Y114 C115 E116	A108-L112 WeakPolarHBondContact O-CG 3.26Å; A108-L112 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 2.9Å; R110-L112 PolarHBondContact O-N 2.9Å; L112-Y114 VanDerWaalsContact C-N 3.34Å; L112-Y114 PolarHBondContact O-N 3.36Å; L112-C115 PolarHBondContact O-N 3.21Å; L112-E116 PolarHBondContact O-N 3.42Å
113	G	67.6	Low	56.9	Low	21 Å²	21	95.9 Å²	95.9	22%	0.216	52%	0.522	C	S	.	.	H	α-helix	trans	-58.5	-44.3	174.2	0	0	0	0	0	112.7	L109 R110 C115 E116 E117	L109-G113 PolarHBondContact O-N 2.81Å; R110-G113 PolarHBondContact O-N 3.05Å; G113-C115 VanDerWaalsContact C-N 3.34Å; G113-C115 PolarHBondContact O-N 3.11Å; G113-E116 PolarHBondContact O-N 2.87Å; G113-E117 WeakPolarHBondContact O-CG 3.46Å; G113-E117 PolarHBondContact O-N 3.33Å
114	Y	58.1	Low	55.9	Low	144 Å²	144	98.2 Å²	98.2	57%	0.565	54%	0.542	S	S	*	.	H	α-helix	trans	-65	-35.3	177.8	-164.5	-112.8	0	0	0	112.9	R110 R111 L112 E117 Q118	R110-Y114 PolarHBondContact O-N 3.11Å; R111-Y114 PolarHBondContact O-N 2.92Å; L112-Y114 VanDerWaalsContact C-N 3.34Å; L112-Y114 PolarHBondContact O-N 3.36Å; Y114-E117 PolarHBondContact O-N 3.21Å; Y114-Q118 HydrophobicContact CE1-CG 4.48Å; Y114-Q118 WeakPolarHBondContact O-CG 3.37Å; Y114-Q118 PolarHBondContact O-N 2.89Å
115	C	62.3	Low	54.7	Low	74 Å²	74	99.3 Å²	99.3	50%	0.5	56%	0.559	S	S	.	*	H	α-helix	trans	-69.3	-37.6	172.1	-69.1	0	0	0	0	112.8	R111 L112 G113 S119	R111-C115 PolarHBondContact O-N 3.13Å; R111-C115 PolarHBondContact O-SG 2.65Å; L112-C115 PolarHBondContact O-N 3.21Å; G113-C115 VanDerWaalsContact C-N 3.34Å; G113-C115 PolarHBondContact O-N 3.11Å; C115-S119 WeakPolarHBondContact O-CB 3.44Å; C115-S119 PolarHBondContact O-N 3.38Å; C115-S119 VanDerWaalsContact O-N 3.1Å; C115-S119 PolarHBondContact O-OG 3.22Å
116	E	62.9	Low	53	Low	85 Å²	85	98.4 Å²	98.4	40%	0.397	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-38.8	173.3	-74.1	-171.3	165.5	0	0	111.5	L112 G113 S119	L112-E116 PolarHBondContact O-N 3.42Å; G113-E116 PolarHBondContact O-N 2.87Å; E116-S119 WeakPolarHBondContact O-CB 3.38Å; E116-S119 PolarHBondContact O-N 3.19Å
117	E	55.3	Low	51.3	Low	146 Å²	146	100.8 Å²	100.8	68%	0.682	60%	0.595	S	S	*	*	H	α-helix	trans	-69.4	-42.9	176.2	-73	179.8	168.1	0	0	112.5	G113 Y114 S119 Q120	G113-E117 WeakPolarHBondContact O-CG 3.46Å; G113-E117 PolarHBondContact O-N 3.33Å; Y114-E117 PolarHBondContact O-N 3.21Å; E117-S119 PolarHBondContact O-N 2.93Å; E117-Q120 PolarHBondContact O-N 2.91Å
118	Q	48.3	Very low	50.2	Low	129 Å²	129	108.5 Å²	108.5	60%	0.603	63%	0.63	S	S	*	*	H	α-helix	trans	-64.4	-24.2	173.2	-74	-167.8	3.6	0	0	113.3	Y114 Q120	Y114-Q118 HydrophobicContact CE1-CG 4.48Å; Y114-Q118 WeakPolarHBondContact O-CG 3.37Å; Y114-Q118 PolarHBondContact O-N 2.89Å; Q118-Q120 PolarHBondContact O-N 2.92Å
119	S	50.7	Low	48.8	Very low	102 Å²	102	111.2 Å²	111.2	71%	0.713	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-5.3	174.6	-58.1	0	0	0	0	113.4	C115 E116 E117	C115-S119 WeakPolarHBondContact O-CB 3.44Å; C115-S119 PolarHBondContact O-N 3.38Å; C115-S119 VanDerWaalsContact O-N 3.1Å; C115-S119 PolarHBondContact O-OG 3.22Å; E116-S119 WeakPolarHBondContact O-CB 3.38Å; E116-S119 PolarHBondContact O-N 3.19Å; E117-S119 PolarHBondContact O-N 2.93Å
120	Q	49.2	Very low	46.9	Very low	163 Å²	163	112.5 Å²	112.5	76%	0.762	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	50.2	179.4	-61.3	-171.8	17.6	0	0	112	E117 Q118	E117-Q120 PolarHBondContact O-N 2.91Å; Q118-Q120 PolarHBondContact O-N 2.92Å
121	G	36.7	Very low	45.1	Very low	54 Å²	54	119 Å²	119	56%	0.557	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-93.3	160	169.1	0	0	0	0	0	113.6
122	P	41.9	Very low	43.7	Very low	134 Å²	134	123.2 Å²	123.2	87%	0.87	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-82.8	136.1	-152.3	31	-36.5	0	0	0	115.9
123	H	35	Very low	43.2	Very low	201 Å²	201	123.2 Å²	123.2	93%	0.931	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-76.7	134.5	162.2	-84	-67.1	0	0	0	111.4
124	A	37.1	Very low	41.3	Very low	108 Å²	108	130.2 Å²	130.2	89%	0.893	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-99.2	143.9	175.4	0	0	0	0	0	112.1
125	G	32.4	Very low	39.9	Very low	80 Å²	80	128 Å²	128	83%	0.825	77%	0.766	S	S	*	*			trans	157	114.7	160.9	0	0	0	0	0	117.8
126	G	29.1	Very low	38.3	Very low	88 Å²	88	129.7 Å²	129.7	91%	0.907	79%	0.786	S	S	*	*			trans	82.8	143.4	143	0	0	0	0	0	118.8
127	A	32.1	Very low	37.2	Very low	91 Å²	91	130.7 Å²	130.7	75%	0.752	81%	0.808	S	S	*	*			trans	-118.7	150.1	-175.2	0	0	0	0	0	113.3
128	H	30.6	Very low	36	Very low	189 Å²	189	128.7 Å²	128.7	88%	0.875	82%	0.817	S	S	*	*				-173.2	131.9	125	-107.3	-71	0	0	0	114.9
129	A	32.4	Very low	35.3	Very low	99 Å²	99	128.2 Å²	128.2	82%	0.818	83%	0.828	S	S	*	*			trans	36.7	127.4	148	0	0	0	0	0	123.7
130	G	28.8	Very low	34.6	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	83%	0.833	S	S	*	*			trans	144.7	100.1	135.2	0	0	0	0	0	120.6
131	R	29.5	Very low	34	Very low	262 Å²	262	127.3 Å²	127.3	99%	0.989	83%	0.831	S	S	*	*			trans	63.4	158.8	156.2	-78.4	-177.2	169.1	-173.9	-3.6	120.6
132	R	31.6	Very low	34.2	Very low	242 Å²	242	128 Å²	128	91%	0.913	83%	0.826	S	S	*	*			trans	-123.9	171.4	-179.3	-113.9	-175.3	-176.2	-172.4	2.1	108
133	P	55.1	Low	35	Very low	103 Å²	103	125.1 Å²	125.1	67%	0.669	81%	0.806	S	S	*	*			cis	-139.5	-173.8	-9	40.2	-21.1	0	0	0	116
134	L	28.8	Very low	35.7	Very low	168 Å²	168	123.9 Å²	123.9	88%	0.88	80%	0.798	S	S	*	*			trans	89.2	133.5	153.7	-70.6	168	0	0	0	122.6
135	A	28.6	Very low	36.3	Very low	96 Å²	96	120 Å²	120	79%	0.793	76%	0.763	S	S	*	*			trans	103.7	133.2	141.8	0	0	0	0	0	122
136	A	28.6	Very low	37.1	Very low	111 Å²	111	124 Å²	124	92%	0.917	75%	0.753	S	S	*	*			trans	73.4	148.9	155.1	0	0	0	0	0	120.6
137	A	40	Very low	38.1	Very low	105 Å²	105	125.3 Å²	125.3	87%	0.868	74%	0.736	S	S	*	*			trans	-101.8	152.7	-168.7	0	0	0	0	0	113.4
138	A	28.5	Very low	38.9	Very low	105 Å²	105	126.6 Å²	126.6	87%	0.868	73%	0.73	S	S	*	*			trans	-149.3	116.7	159	0	0	0	0	0	109.4
139	S	33.6	Very low	39.7	Very low	119 Å²	119	122.2 Å²	122.2	83%	0.832	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-80.7	130.1	173.9	54.7	0	0	0	0	110.7
140	T	35.9	Very low	40.3	Very low	133 Å²	133	124.8 Å²	124.8	82%	0.816	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-63.6	140.2	168.1	19.5	0	0	0	0	111.5
141	P	36.6	Very low	40.8	Very low	112 Å²	112	125.1 Å²	125.1	73%	0.727	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-73.2	147.3	178.1	30.6	-34.5	0	0	0	111.3
142	P	41.6	Very low	41.1	Very low	70 Å²	70	118.6 Å²	118.6	46%	0.455	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-70.2	149.2	178.1	29.6	-34.9	0	0	0	112.3	R146	P142-R146 HydrophobicContact CB-CB 4.22Å
143	T	59.8	Low	41.1	Very low	73 Å²	73	112.9 Å²	112.9	45%	0.448	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-63.7	154.1	176.8	42.3	0	0	0	0	112.7	V145 R146	T143-V145 PolarHBondContact O-N 3.21Å; T143-V145 VanDerWaalsContact O-N 3.08Å; T143-R146 WeakPolarHBondContact O-CB 3.36Å; T143-R146 PolarHBondContact O-N 2.97Å
144	K	49.2	Very low	40.1	Very low	174 Å²	174	113.5 Å²	113.5	76%	0.757	69%	0.688	S	S	*	*	H	α-helix	trans	-54.9	-30.7	-175.2	-69.7	179.8	177.5	176.7	0	113.9	R146 Q147 L148	K144-R146 VanDerWaalsContact C-N 3.33Å; K144-R146 PolarHBondContact O-N 3.31Å; K144-Q147 PolarHBondContact O-N 3.32Å; K144-L148 PolarHBondContact O-N 2.87Å
145	V	49.3	Very low	40.3	Very low	28 Å²	28	116.3 Å²	116.3	17%	0.17	69%	0.687	C	S	.	*	H	α-helix	trans	-63	-38.7	176.7	-176.6	0	0	0	0	111.6	L109 T143 Q147 L148 L149	L109-V145 HydrophobicContact CD2-CG1 4.45Å; T143-V145 PolarHBondContact O-N 3.21Å; T143-V145 VanDerWaalsContact O-N 3.08Å; V145-Q147 VanDerWaalsContact C-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.87Å; V145-L148 PolarHBondContact O-N 2.79Å; V145-L149 HydrophobicContact CG1-CD1 4.35Å; V145-L149 PolarHBondContact O-N 2.93Å; V145-L149 VanDerWaalsContact O-N 3.14Å
146	R	49.6	Very low	40.4	Very low	163 Å²	163	117.9 Å²	117.9	62%	0.615	69%	0.689	S	S	*	*	H	α-helix	trans	-70.8	-27.4	-179	-155.3	173.4	-171.9	168.6	2.8	112.7	P142 T143 K144 Q150	P142-R146 HydrophobicContact CB-CB 4.22Å; T143-R146 WeakPolarHBondContact O-CB 3.36Å; T143-R146 PolarHBondContact O-N 2.97Å; K144-R146 VanDerWaalsContact C-N 3.33Å; K144-R146 PolarHBondContact O-N 3.31Å; R146-Q150 WeakPolarHBondContact O-CG 3.38Å; R146-Q150 PolarHBondContact O-N 2.79Å
147	Q	49.7	Very low	40.3	Very low	116 Å²	116	120.7 Å²	120.7	54%	0.542	69%	0.688	S	S	.	*	H	α-helix	trans	-74	-36.7	172.5	-68.3	-178.4	-32.6	0	0	112.3	K144 V145 Q150 A151	K144-Q147 PolarHBondContact O-N 3.32Å; V145-Q147 VanDerWaalsContact C-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.87Å; Q147-Q150 PolarHBondContact O-N 2.95Å; Q147-A151 PolarHBondContact O-N 3.35Å
148	L	48.8	Very low	39.7	Very low	118 Å²	118	121.3 Å²	121.3	62%	0.618	69%	0.685	S	S	*	*	H	α-helix	trans	-65.1	-40.2	174.6	-81.5	159.2	0	0	0	112.2	K144 V145 Q150 A151	K144-L148 PolarHBondContact O-N 2.87Å; V145-L148 PolarHBondContact O-N 2.79Å; L148-Q150 VanDerWaalsContact C-N 3.26Å; L148-Q150 PolarHBondContact O-N 3.42Å; L148-A151 PolarHBondContact O-N 3.19Å
149	L	47.5	Very low	39.6	Very low	96 Å²	96	123.6 Å²	123.6	50%	0.503	68%	0.683	S	S	.	*	H	α-helix	trans	-64.2	-27.4	175.3	-73.8	164.2	0	0	0	113.4	L109 V145	L109-L149 HydrophobicContact CD1-CD2 4.41Å; V145-L149 HydrophobicContact CG1-CD1 4.35Å; V145-L149 PolarHBondContact O-N 2.93Å; V145-L149 VanDerWaalsContact O-N 3.14Å
150	Q	46.3	Very low	39.2	Very low	154 Å²	154	121.4 Å²	121.4	72%	0.72	68%	0.679	S	S	*	*	H	α-helix	trans	-86.5	-9.4	176.4	-72.6	-179.3	-21.4	0	0	114	R146 Q147 L148	R146-Q150 WeakPolarHBondContact O-CG 3.38Å; R146-Q150 PolarHBondContact O-N 2.79Å; Q147-Q150 PolarHBondContact O-N 2.95Å; L148-Q150 VanDerWaalsContact C-N 3.26Å; L148-Q150 PolarHBondContact O-N 3.42Å
151	A	38.6	Very low	38.7	Very low	80 Å²	80	125.9 Å²	125.9	66%	0.661	68%	0.683	S	S	*	*	S	Bend	trans	-95.4	-3.1	-176.6	0	0	0	0	0	114.2	Q147 L148	Q147-A151 PolarHBondContact O-N 3.35Å; L148-A151 PolarHBondContact O-N 3.19Å
152	L	35.7	Very low	38	Very low	124 Å²	124	127 Å²	127	65%	0.649	69%	0.687	S	S	*	*	S	Bend	trans	-80.9	134	174.8	-72.7	163.3	0	0	0	110.4	S154	L152-S154 PolarHBondContact O-N 3.11Å
153	P	32.4	Very low	37.4	Very low	123 Å²	123	132.5 Å²	132.5	80%	0.799	71%	0.706	S	S	*	*			trans	-72.9	113.9	-171.7	28.1	-34.5	0	0	0	112.5	R155	P153-R155 PolarHBondContact O-N 3.24Å
154	S	33.7	Very low	35.7	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	73%	0.729	S	S	*	*			trans	-92.2	66.8	176	51.8	0	0	0	0	112.6	L152	L152-S154 PolarHBondContact O-N 3.11Å
155	R	32.2	Very low	34.6	Very low	227 Å²	227	139.8 Å²	139.8	86%	0.857	74%	0.735	S	S	*	*	S	Bend	trans	-174.7	138.1	165.5	-104.3	154.8	-160	-139.3	4.7	111.9	P153	P153-R155 PolarHBondContact O-N 3.24Å
156	P	30.3	Very low	33.4	Very low	129 Å²	129	150.3 Å²	150.3	84%	0.838	77%	0.772	S	S	*	*			trans	-70.1	147.4	161.3	-12	27.8	0	0	0	111.2
157	L	26.6	Very low	32.1	Very low	171 Å²	171	150.5 Å²	150.5	90%	0.895	78%	0.784	S	S	*	*			trans	-81.9	120	170.3	-75.4	164	0	0	0	109.8	N159	L157-N159 PolarHBondContact O-N 2.98Å
158	S	27.5	Very low	31	Very low	117 Å²	117	152.7 Å²	152.7	82%	0.818	80%	0.799	S	S	*	*			trans	-78	113.3	172.6	58.4	0	0	0	0	111.1
159	N	26.3	Very low	29.8	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	81%	0.81	S	S	*	*			trans	-106.4	90	169.5	-96.3	-4.5	0	0	0	110.9	L157	L157-N159 PolarHBondContact O-N 2.98Å
160	G	26.3	Very low	28.6	Very low	72 Å²	72	153.9 Å²	153.9	74%	0.742	83%	0.825	S	S	*	*			trans	-88.2	124.6	162.4	0	0	0	0	0	110.3
161	Y	23.9	Very low	28.5	Very low	228 Å²	228	152.2 Å²	152.2	89%	0.894	83%	0.827	S	S	*	*			trans	-82.9	115.4	172.6	-108.1	-92.7	0	0	0	110.6
162	V	23.1	Very low	27.8	Very low	136 Å²	136	154.1 Å²	154.1	82%	0.824	84%	0.836	S	S	*	*			trans	-115.7	130.7	160.4	175.3	0	0	0	0	108
163	Q	28.1	Very low	27.3	Very low	184 Å²	184	153.8 Å²	153.8	86%	0.86	84%	0.844	S	S	*	*			trans	-62.6	136.7	-178.1	-68.9	178.6	-16.3	0	0	112.3
164	Q	25	Very low	27.8	Very low	197 Å²	197	153.1 Å²	153.1	92%	0.921	84%	0.84	S	S	*	*			trans	-146.5	131.7	145.4	-116.2	175.2	15.2	0	0	112.3
165	K	25.5	Very low	27.4	Very low	203 Å²	203	156.7 Å²	156.7	88%	0.883	84%	0.841	S	S	*	*			trans	-65	146.4	178.4	-63.1	171.8	176.1	175.7	0	111.1
166	R	23.9	Very low	27	Very low	250 Å²	250	154.4 Å²	154.4	94%	0.943	84%	0.837	S	S	*	*			trans	-154.6	159.3	139.5	-115.8	167.3	-165.8	-160.4	2.7	114.1
167	L	23.6	Very low	26.7	Very low	167 Å²	167	155 Å²	155	87%	0.874	83%	0.829	S	S	*	*			trans	-89.3	166.6	-166.9	-73.3	147.9	0	0	0	112.8
168	L	25.8	Very low	26.6	Very low	162 Å²	162	152.8 Å²	152.8	85%	0.848	82%	0.822	S	S	*	*			trans	-56.4	146.5	-179.7	-62.9	124.5	0	0	0	114.7
169	S	23	Very low	26.4	Very low	122 Å²	122	154.1 Å²	154.1	85%	0.853	82%	0.819	S	S	*	*				-177.2	147.3	124.8	35.2	0	0	0	0	112.7
170	S	22.6	Very low	26.3	Very low	117 Å²	117	156.5 Å²	156.5	82%	0.818	83%	0.825	S	S	*	*			trans	-127.5	176.8	170.8	-46.5	0	0	0	0	107.5
171	P	44.9	Very low	26.1	Very low	118 Å²	118	157.8 Å²	157.8	77%	0.766	82%	0.823	S	S	*	*			cis	-129.2	178.8	-28.5	34.6	-17.6	0	0	0	112.4
172	S	22.8	Very low	26.2	Very low	121 Å²	121	154.9 Å²	154.9	85%	0.846	82%	0.821	S	S	*	*			trans	-173.9	148.3	141.4	36	0	0	0	0	114.2
173	S	26.5	Very low	26.2	Very low	116 Å²	116	158 Å²	158	81%	0.811	82%	0.824	S	S	*	*			trans	-120.5	-169.7	169	-48.8	0	0	0	0	107.6
174	P	42.7	Very low	26.1	Very low	110 Å²	110	161 Å²	161	71%	0.714	83%	0.827	S	S	*	*			cis	-142.9	178.5	-1.8	41.8	-22.7	0	0	0	117
175	K	24.1	Very low	26.1	Very low	190 Å²	190	161.2 Å²	161.2	83%	0.826	83%	0.825	S	S	*	*			trans	154.5	120	138.2	-84.6	162.4	-175.6	-179.7	0	110.5
176	K	24.9	Very low	26	Very low	179 Å²	179	157 Å²	157	78%	0.778	82%	0.821	S	S	*	*				67.2	131.9	79.5	-93.2	-161.2	162.7	-150.5	0	113.7
177	E	23.6	Very low	26	Very low	142 Å²	142	153.1 Å²	153.1	66%	0.664	82%	0.816	S	S	*	*			cis	-136.4	-168	-2.7	-53.2	-156.2	162.3	0	0	108.7
178	V	24.2	Very low	26.1	Very low	124 Å²	124	150.3 Å²	150.3	75%	0.752	81%	0.81	S	S	*	*			cis	-154.3	-174.2	9.2	77.9	0	0	0	0	110.2
179	L	23.1	Very low	26.1	Very low	145 Å²	145	149.7 Å²	149.7	76%	0.759	81%	0.813	S	S	*	*			trans	-92.3	156	-178.9	-72.1	84.7	0	0	0	115
180	Q	24.1	Very low	26.2	Very low	204 Å²	204	151.1 Å²	151.1	95%	0.953	81%	0.806	S	S	*	*				-150.4	158.8	122.2	-111.8	176.2	33.4	0	0	111.9
181	S	23.5	Very low	26.4	Very low	99 Å²	99	155.3 Å²	155.3	69%	0.692	80%	0.804	S	S	*	*			trans	-132.6	141.9	-154.1	54.3	0	0	0	0	114.3
182	I	25.1	Very low	25.5	Very low	166 Å²	166	156.4 Å²	156.4	85%	0.851	80%	0.803	S	S	*	*			trans	-138.4	122.7	158.3	-61.6	-175.1	0	0	0	109.3
183	K	23.6	Very low	25.6	Very low	203 Å²	203	156.1 Å²	156.1	88%	0.883	80%	0.796	S	S	*	*			trans	-75.8	139.1	172.8	-68.5	175.8	175.3	177.1	0	110.4
184	R	25.8	Very low	25.5	Very low	246 Å²	246	158.6 Å²	158.6	93%	0.928	80%	0.799	S	S	*	*			trans	-117	134.5	152.8	-79.9	-173.6	173.6	174.5	-1.1	109.4
185	K	24.2	Very low	24.7	Very low	202 Å²	202	159.8 Å²	159.8	88%	0.878	80%	0.804	S	S	*	*			trans	-78.2	135.4	-179	-68.6	178.2	175.4	-179.7	0	109.8
186	S	23.2	Very low	24.8	Very low	115 Å²	115	162.1 Å²	162.1	80%	0.804	81%	0.808	S	S	*	*			trans	-80.4	142.4	154.3	177.3	0	0	0	0	108.7
187	M	24.9	Very low	24.8	Very low	168 Å²	168	164.7 Å²	164.7	83%	0.828	81%	0.813	S	S	*	*			trans	-132.8	113.3	168.9	-83.3	-76.6	-66.6	0	0	107
188	S	25.2	Very low	24.8	Very low	108 Å²	108	167 Å²	167	76%	0.755	82%	0.823	S	S	*	*			trans	-75.4	151.9	170	43.1	0	0	0	0	110.8
189	T	25.6	Very low	24.9	Very low	148 Å²	148	170.1 Å²	170.1	91%	0.908	83%	0.832	S	S	*	*			trans	-114.7	105.9	170.1	48.5	0	0	0	0	109.9
190	E	25.1	Very low	25	Very low	152 Å²	152	168.4 Å²	168.4	71%	0.71	84%	0.839	S	S	*	*			trans	-128.4	147.4	164.9	-155.2	-164.8	-104	0	0	107.7
191	R	28.1	Very low	25.1	Very low	205 Å²	205	163.2 Å²	163.2	77%	0.774	83%	0.831	S	S	*	*			trans	74.6	136.8	170.3	-55.8	-176.2	178.8	-144.4	-7.7	116.7
192	L	25.8	Very low	25.1	Very low	142 Å²	142	167.9 Å²	167.9	74%	0.743	84%	0.842	S	S	*	*			cis	-170.1	154.9	7	-114.2	166.1	0	0	0	108.5
193	T	24.3	Very low	25.1	Very low	115 Å²	115	164.8 Å²	164.8	71%	0.706	84%	0.835	S	S	*	*			trans	-63.9	143.2	167	48.9	0	0	0	0	113.7
194	L	23.7	Very low	25.3	Very low	168 Å²	168	167 Å²	167	88%	0.88	84%	0.837	S	S	*	*				-177.1	157	128.7	-108	155.4	0	0	0	115
195	V	25.9	Very low	25.3	Very low	135 Å²	135	160.4 Å²	160.4	82%	0.818	83%	0.829	S	S	*	*			trans	106.1	127.9	163.7	-170.9	0	0	0	0	116.5
196	R	26.5	Very low	25.5	Very low	239 Å²	239	162.9 Å²	162.9	90%	0.902	83%	0.833	S	S	*	*			trans	-136.3	151.2	-175.1	-165.6	-178.9	-168.4	173.5	5	107.5
197	R	26.2	Very low	25.8	Very low	233 Å²	233	163.8 Å²	163.8	88%	0.879	83%	0.834	S	S	*	*			trans	72.5	140.8	-175.3	-67.3	-179.7	169.8	154	-2.5	114.2
198	E	23.6	Very low	25.9	Very low	190 Å²	190	162.3 Å²	162.3	89%	0.888	84%	0.835	S	S	*	*			cis	-139.8	169.4	40.6	-76.7	-178.4	138	0	0	115.8
199	M	26.5	Very low	26.1	Very low	190 Å²	190	163.1 Å²	163.1	94%	0.936	84%	0.84	S	S	*	*			trans	-114.6	134.6	162.6	-75.7	178.2	164.1	0	0	108.9
200	A	24.6	Very low	26.2	Very low	109 Å²	109	161.1 Å²	161.1	90%	0.901	83%	0.832	S	S	*	*			trans	178.5	163	141.5	0	0	0	0	0	111.2
201	A	25.8	Very low	26.2	Very low	95 Å²	95	159.7 Å²	159.7	79%	0.785	84%	0.839	S	S	*	*			trans	-85.2	156.3	-174	0	0	0	0	0	114.1
202	E	23.9	Very low	26.2	Very low	196 Å²	196	155.2 Å²	155.2	92%	0.916	84%	0.839	S	S	*	*				-162.9	154.2	116.7	-116.4	-173.1	175.6	0	0	113.3
203	S	25.4	Very low	26.3	Very low	101 Å²	101	154.2 Å²	154.2	71%	0.706	84%	0.844	S	S	*	*			trans	-95.7	144.6	178.8	68.5	0	0	0	0	112.1
204	R	27.6	Very low	26.6	Very low	249 Å²	249	153.8 Å²	153.8	94%	0.94	85%	0.846	S	S	*	*			trans	-164	143	134.3	-108.6	155.8	-169.8	-172.4	4.5	113.3
205	S	26.2	Very low	26.8	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	84%	0.842	S	S	*	*			trans	-74.8	144.5	-174.7	53.1	0	0	0	0	114.1
206	R	27.3	Very low	26.8	Very low	254 Å²	254	146.5 Å²	146.5	96%	0.958	84%	0.839	S	S	*	*			trans	-145.5	135.7	142.4	-106.1	172.2	-166.8	177.5	4.2	110.8
207	T	29.9	Very low	27.2	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	84%	0.837	S	S	*	*			trans	-91.5	124.1	-172.9	47.2	0	0	0	0	112
208	T	26.8	Very low	27.6	Very low	138 Å²	138	139.3 Å²	139.3	85%	0.847	84%	0.836	S	S	*	*			trans	-147	125.6	153.1	47.3	0	0	0	0	109.6
209	S	29	Very low	28.5	Very low	124 Å²	124	139.4 Å²	139.4	87%	0.867	83%	0.833	S	S	*	*			trans	-82.6	121.2	-178.7	50.1	0	0	0	0	112.3
210	S	27.9	Very low	29.9	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	82%	0.817	S	S	*	*			trans	-152.7	123.8	160.5	56.8	0	0	0	0	110.8	S212	S210-S212 PolarHBondContact O-N 2.91Å
211	S	26.4	Very low	32.2	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	80%	0.802	S	S	*	*			trans	-27.6	114.4	178	50.5	0	0	0	0	116.8	S213	S211-S213 PolarHBondContact O-N 2.83Å
212	S	28.1	Very low	34.8	Very low	112 Å²	112	138 Å²	138	78%	0.783	80%	0.797	S	S	*	*			trans	-86.5	101	167.3	56.1	0	0	0	0	111.3	S210 S214	S210-S212 PolarHBondContact O-N 2.91Å; S212-S214 VanDerWaalsContact C-N 3.3Å; S212-S214 PolarHBondContact O-N 2.82Å; S212-S214 VanDerWaalsContact O-N 3.07Å
213	S	26.6	Very low	37.9	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	77%	0.765	S	S	*	*			trans	-74.1	87.2	158.1	56.2	0	0	0	0	108.6	S211 G215	S211-S213 PolarHBondContact O-N 2.83Å; S213-G215 PolarHBondContact O-N 3.16Å
214	S	30.4	Very low	41	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	75%	0.75	S	S	*	*			trans	-63.7	115.7	177	53.9	0	0	0	0	110.3	S212 G216	S212-S214 VanDerWaalsContact C-N 3.3Å; S212-S214 PolarHBondContact O-N 2.82Å; S212-S214 VanDerWaalsContact O-N 3.07Å; S214-G216 PolarHBondContact O-N 2.66Å; S214-G216 VanDerWaalsContact O-N 3.16Å
215	G	28	Very low	44.1	Very low	77 Å²	77	119.7 Å²	119.7	79%	0.794	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-56.1	119	170.5	0	0	0	0	0	109.9	S213 K217	S213-G215 PolarHBondContact O-N 3.16Å; G215-K217 PolarHBondContact O-N 3.05Å
216	G	25.9	Very low	47.2	Very low	74 Å²	74	116.1 Å²	116.1	76%	0.763	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-66.8	122.7	-173.7	0	0	0	0	0	111.7	S214 S218	S214-G216 PolarHBondContact O-N 2.66Å; S214-G216 VanDerWaalsContact O-N 3.16Å; G216-S218 PolarHBondContact O-N 3.17Å
217	K	35	Very low	50.1	Low	200 Å²	200	106.8 Å²	106.8	87%	0.87	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-56.7	130.9	153.9	-68.2	-176.6	177.2	-175.8	0	107.3	G215 K219	G215-K217 PolarHBondContact O-N 3.05Å; K217-K219 PolarHBondContact O-N 3.31Å
218	S	35.8	Very low	52.8	Low	121 Å²	121	108.8 Å²	108.8	85%	0.846	67%	0.667	S	S	*	*			trans	-58.4	107.6	173.2	-175.9	0	0	0	0	108.8	G216 S220	G216-S218 PolarHBondContact O-N 3.17Å; S218-S220 PolarHBondContact O-N 2.63Å
219	K	42.6	Very low	55.6	Low	191 Å²	191	106.4 Å²	106.4	83%	0.83	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-67.5	128	166.5	-71.8	-171.8	174.5	-170.2	0	107.1	K217 K221	K217-K219 PolarHBondContact O-N 3.31Å; K219-K221 PolarHBondContact O-N 2.74Å
220	S	55.2	Low	58.5	Low	87 Å²	87	100.5 Å²	100.5	61%	0.608	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-53.9	137.8	160.6	42	0	0	0	0	108.3	S218	S218-S220 PolarHBondContact O-N 2.63Å
221	K	72.1	Confident	61.6	Low	134 Å²	134	97 Å²	97	58%	0.583	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-79.5	122.2	171.1	-71.1	-179.8	178.7	176.3	0	106.9	K219 F235	K219-K221 PolarHBondContact O-N 2.74Å; K221-F235 HydrophobicContact CB-CB 4.21Å; K221-F235 HydrophobicContact CB-CD1 3.83Å; K221-F235 HydrophobicContact CB-CD2 3.53Å; K221-F235 HydrophobicContact CB-CE1 4Å; K221-F235 HydrophobicContact CB-CE2 3.74Å; K221-F235 HydrophobicContact CB-CG 3.58Å; K221-F235 HydrophobicContact CB-CZ 3.97Å; K221-F235 HydrophobicContact CD-CD1 3.77Å; K221-F235 HydrophobicContact CD-CE1 3.46Å; K221-F235 VanDerWaalsContact CD-CE1 3.46Å; K221-F235 HydrophobicContact CD-CG 4.41Å; K221-F235 HydrophobicContact CD-CZ 3.88Å; K221-F235 HydrophobicContact CG-CD1 4.43Å; K221-F235 HydrophobicContact CG-CE1 4.4Å; K221-F235 WeakPolarHBondContact O-CD2 3.47Å
222	E	80.6	Confident	64.9	Low	143 Å²	143	91.2 Å²	91.2	67%	0.668	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-68.3	157.2	176.6	-63.2	178.6	153.6	0	0	110.4	F235	E222-F235 WeakPolarHBondContact O-CD2 3.14Å; E222-F235 VanDerWaalsContact O-CE2 3.25Å; E222-F235 WeakPolarHBondContact O-CE2 3.47Å
223	C	88.2	Confident	68	Low	38 Å²	38	89.2 Å²	89.2	26%	0.257	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-61.9	140.1	177.2	-68.7	0	0	0	0	110.8	R233 P818	C223-R233 VanDerWaalsContact CA-O 3.29Å; C223-R233 WeakPolarHBondContact CA-O 2.96Å; C223-P818 HydrophobicContact CB-CB 4.37Å
224	T	91.8	Very high	71.2	Confident	64 Å²	64	83.9 Å²	83.9	39%	0.393	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.9	179.2	69	0	0	0	0	111.8	R233	T224-R233 PolarHBondContact N-O 3.26Å; T224-R233 PolarHBondContact O-N 2.73Å
225	Y	92.9	Very high	74.2	Confident	60 Å²	60	80.7 Å²	80.7	24%	0.235	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.6	174.9	173	-126.3	0	0	0	109.7	A227 Y231 V232 V245 R250 F253 L255	Y225-A227 HydrophobicContact CE1-CB 3.91Å; Y225-Y231 VanDerWaalsContact CD2-O 3.3Å; Y225-Y231 WeakPolarHBondContact CD2-O 3.09Å; Y225-V232 HydrophobicContact CD2-CG2 3.96Å; Y225-V245 HydrophobicContact CD2-CG2 4.31Å; Y225-V245 HydrophobicContact CE2-CG2 3.79Å; Y225-R250 PolarHBondContact OH-O 2.89Å; Y225-F253 AromaticContact CD1-CD1 3.96Å; Y225-F253 HydrophobicContact CD1-CD1 3.96Å; Y225-F253 AromaticContact CD2-CD1 3.71Å; Y225-F253 HydrophobicContact CD2-CD1 3.71Å; Y225-F253 HydrophobicContact CD2-CE1 4.02Å; Y225-F253 HydrophobicContact CE1-CD1 4.01Å; Y225-F253 AromaticContact CE2-CD1 3.82Å; Y225-F253 HydrophobicContact CE2-CD1 3.82Å; Y225-F253 AromaticContact CG-CD1 3.81Å; Y225-F253 HydrophobicContact CG-CD1 3.81Å; Y225-F253 HydrophobicContact CG-CE1 4.06Å; Y225-F253 AromaticContact CZ-CD1 3.95Å; Y225-L255 VanDerWaalsContact N-CD1 3.34Å
226	N	91.7	Very high	77.1	Confident	35 Å²	35	77.1 Å²	77.1	19%	0.187	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	108.2	172.8	179.5	-19.5	0	0	0	108.4	E228 D229 G230 Y231	N226-E228 WeakPolarHBondContact OD1-CB 3.3Å; N226-E228 PolarHBondContact OD1-N 2.84Å; N226-D229 PolarHBondContact ND2-OD2 3.12Å; N226-D229 PolarHBondContact OD1-N 3.44Å; N226-G230 VanDerWaalsContact O-CA 3.3Å; N226-G230 WeakPolarHBondContact O-CA 3.24Å; N226-G230 PolarHBondContact O-N 3.12Å; N226-Y231 HydrophobicContact CB-CD1 4.43Å; N226-Y231 HydrophobicContact CB-CD2 4.02Å; N226-Y231 HydrophobicContact CB-CE1 4.12Å; N226-Y231 HydrophobicContact CB-CE2 3.65Å; N226-Y231 HydrophobicContact CB-CG 4.38Å; N226-Y231 PolarHBondContact N-O 3.06Å; N226-Y231 VanDerWaalsContact ND2-CZ 3.34Å; N226-Y231 PolarHBondContact ND2-OH 2.96Å; N226-Y231 PolarHBondContact O-N 2.86Å; N226-Y231 VanDerWaalsContact O-N 3.11Å
227	A	87	Confident	79.9	Confident	58 Å²	58	82.1 Å²	82.1	48%	0.479	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.3	179.1	0	0	0	0	0	112.9	Y225 D229 G230 R250	Y225-A227 HydrophobicContact CE1-CB 3.91Å; A227-D229 PolarHBondContact O-N 2.96Å; A227-G230 PolarHBondContact O-N 3.16Å; A227-R250 PolarHBondContact O-NE 3.2Å; A227-R250 PolarHBondContact O-NH2 2.88Å
228	E	86.6	Confident	82.3	Confident	175 Å²	175	74.6 Å²	74.6	82%	0.818	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-40	-178.4	-61	-173.5	163.4	0	0	112	N226 R250	N226-E228 WeakPolarHBondContact OD1-CB 3.3Å; N226-E228 PolarHBondContact OD1-N 2.84Å; E228-R250 VanDerWaalsContact C-NH2 3.25Å; E228-R250 PolarHBondContact O-NH2 2.88Å
229	D	85.6	Confident	84.8	Confident	87 Å²	87	72.2 Å²	72.2	47%	0.465	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.6	178.2	-65.6	-41.6	0	0	0	113.6	N226 A227 Y231	N226-D229 PolarHBondContact ND2-OD2 3.12Å; N226-D229 PolarHBondContact OD1-N 3.44Å; A227-D229 PolarHBondContact O-N 2.96Å; D229-Y231 HydrophobicContact CB-CD1 3.41Å; D229-Y231 VanDerWaalsContact CB-CD1 3.41Å; D229-Y231 HydrophobicContact CB-CE1 3.28Å; D229-Y231 WeakPolarHBondContact OD2-CE1 3.26Å
230	G	90.3	Very high	87.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	48.8	179.1	0	0	0	0	0	113.8	N226 A227 V245	N226-G230 VanDerWaalsContact O-CA 3.3Å; N226-G230 WeakPolarHBondContact O-CA 3.24Å; N226-G230 PolarHBondContact O-N 3.12Å; A227-G230 PolarHBondContact O-N 3.16Å; G230-V245 PolarHBondContact O-N 3.05Å
231	Y	93.1	Very high	89.1	Confident	33 Å²	33	63 Å²	63	13%	0.129	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.7	175.8	65.2	-108.8	0	0	0	113.9	Y225 N226 D229 R233 T242 M243	Y225-Y231 VanDerWaalsContact CD2-O 3.3Å; Y225-Y231 WeakPolarHBondContact CD2-O 3.09Å; N226-Y231 HydrophobicContact CB-CD1 4.43Å; N226-Y231 HydrophobicContact CB-CD2 4.02Å; N226-Y231 HydrophobicContact CB-CE1 4.12Å; N226-Y231 HydrophobicContact CB-CE2 3.65Å; N226-Y231 HydrophobicContact CB-CG 4.38Å; N226-Y231 PolarHBondContact N-O 3.06Å; N226-Y231 VanDerWaalsContact ND2-CZ 3.34Å; N226-Y231 PolarHBondContact ND2-OH 2.96Å; N226-Y231 PolarHBondContact O-N 2.86Å; N226-Y231 VanDerWaalsContact O-N 3.11Å; D229-Y231 HydrophobicContact CB-CD1 3.41Å; D229-Y231 VanDerWaalsContact CB-CD1 3.41Å; D229-Y231 HydrophobicContact CB-CE1 3.28Å; D229-Y231 WeakPolarHBondContact OD2-CE1 3.26Å; Y231-R233 VanDerWaalsContact CZ-NH2 3.27Å; Y231-R233 PolarHBondContact OH-NH2 2.88Å; Y231-T242 HydrophobicContact CD1-CG2 4.15Å; Y231-T242 HydrophobicContact CD2-CG2 3.56Å; Y231-T242 HydrophobicContact CE2-CG2 4.17Å; Y231-T242 HydrophobicContact CG-CG2 3.58Å; Y231-M243 CarbonylContact C-O 3.39Å; Y231-M243 VanDerWaalsContact CA-O 3.32Å; Y231-M243 WeakPolarHBondContact CA-O 3.28Å; Y231-M243 WeakPolarHBondContact CB-O 3.22Å
232	V	94.6	Very high	90.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.3	164.4	178.6	0	0	0	0	109	Y225 M243 V245 F253 L255 F772 F775	Y225-V232 HydrophobicContact CD2-CG2 3.96Å; V232-M243 PolarHBondContact N-O 2.85Å; V232-M243 PolarHBondContact O-N 3.12Å; V232-V245 HydrophobicContact CG2-CG2 4.01Å; V232-F253 HydrophobicContact CG2-CD1 4.22Å; V232-F253 HydrophobicContact CG2-CE1 3.39Å; V232-F253 HydrophobicContact CG2-CZ 3.66Å; V232-L255 HydrophobicContact CG1-CD2 4.13Å; V232-L255 HydrophobicContact CG2-CD2 4.42Å; V232-F772 HydrophobicContact CG2-CD2 4.28Å; V232-F772 HydrophobicContact CG2-CE2 4Å; V232-F775 HydrophobicContact CG1-CE1 4.34Å; V232-F775 HydrophobicContact CG1-CE2 4.09Å; V232-F775 HydrophobicContact CG1-CZ 3.84Å
233	R	94.6	Very high	90.9	Very high	70 Å²	70	52.6 Å²	52.6	26%	0.264	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113	174.6	-178.4	177.2	-70.4	141.1	4.9	110	C223 T224 Y231 F235 P240 V241 T242	C223-R233 VanDerWaalsContact CA-O 3.29Å; C223-R233 WeakPolarHBondContact CA-O 2.96Å; T224-R233 PolarHBondContact N-O 3.26Å; T224-R233 PolarHBondContact O-N 2.73Å; Y231-R233 VanDerWaalsContact CZ-NH2 3.27Å; Y231-R233 PolarHBondContact OH-NH2 2.88Å; R233-F235 HydrophobicContact CG-CE1 4.45Å; R233-F235 HydrophobicContact CG-CE2 4.1Å; R233-F235 HydrophobicContact CG-CZ 3.94Å; R233-P240 HydrophobicContact CG-CB 3.81Å; R233-V241 CarbonylContact C-O 3.51Å; R233-V241 VanDerWaalsContact CA-O 3.31Å; R233-V241 WeakPolarHBondContact CA-O 3.34Å; R233-T242 PolarHBondContact NE-OG1 2.9Å
234	M	94.1	Very high	91.1	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.044	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	162	170.1	177.5	169.4	66	0	0	109.9	L236 P240 V241 M243 L770 F775 W778	M234-L236 HydrophobicContact CE-CD1 4.02Å; M234-L236 HydrophobicContact CE-CG 4.2Å; M234-P240 CarbonylContact O-C 3.54Å; M234-P240 WeakPolarHBondContact O-CA 3.49Å; M234-V241 HydrophobicContact CE-CB 4.49Å; M234-V241 PolarHBondContact N-O 2.89Å; M234-V241 PolarHBondContact O-N 2.83Å; M234-M243 HydrophobicContact CB-CE 3.69Å; M234-M243 HydrophobicContact CE-CE 4.21Å; M234-L770 HydrophobicContact CE-CD2 3.7Å; M234-F775 HydrophobicContact CE-CB 4.16Å; M234-F775 HydrophobicContact SD-CB 4.08Å; M234-F775 HydrophobicContact SD-CD2 4.26Å; M234-W778 HydrophobicContact CE-CG 4.26Å; M234-W778 HydrophobicContact SD-CB 3.96Å; M234-W778 HydrophobicContact SD-CG 3.95Å
235	F	91.6	Very high	91.2	Very high	38 Å²	38	50.2 Å²	50.2	17%	0.167	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	111	175.6	-65.6	-89.4	0	0	0	111.9	K221 E222 R233 R239 P240	K221-F235 HydrophobicContact CB-CB 4.21Å; K221-F235 HydrophobicContact CB-CD1 3.83Å; K221-F235 HydrophobicContact CB-CD2 3.53Å; K221-F235 HydrophobicContact CB-CE1 4Å; K221-F235 HydrophobicContact CB-CE2 3.74Å; K221-F235 HydrophobicContact CB-CG 3.58Å; K221-F235 HydrophobicContact CB-CZ 3.97Å; K221-F235 HydrophobicContact CD-CD1 3.77Å; K221-F235 HydrophobicContact CD-CE1 3.46Å; K221-F235 VanDerWaalsContact CD-CE1 3.46Å; K221-F235 HydrophobicContact CD-CG 4.41Å; K221-F235 HydrophobicContact CD-CZ 3.88Å; K221-F235 HydrophobicContact CG-CD1 4.43Å; K221-F235 HydrophobicContact CG-CE1 4.4Å; K221-F235 WeakPolarHBondContact O-CD2 3.47Å; E222-F235 WeakPolarHBondContact O-CD2 3.14Å; E222-F235 VanDerWaalsContact O-CE2 3.25Å; E222-F235 WeakPolarHBondContact O-CE2 3.47Å; R233-F235 HydrophobicContact CG-CE1 4.45Å; R233-F235 HydrophobicContact CG-CE2 4.1Å; R233-F235 HydrophobicContact CG-CZ 3.94Å; F235-R239 VanDerWaalsContact CA-O 3.32Å; F235-R239 WeakPolarHBondContact CA-O 3.22Å; F235-P240 HydrophobicContact CD1-CB 4.07Å; F235-P240 HydrophobicContact CE1-CB 3.73Å; F235-P240 HydrophobicContact CZ-CB 4.47Å
236	L	90.4	Very high	91.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.3	172.7	-65.5	174.6	0	0	0	108.9	M234 G238 R239 V241 Y739 L770 W778 A782	M234-L236 HydrophobicContact CE-CD1 4.02Å; M234-L236 HydrophobicContact CE-CG 4.2Å; L236-G238 PolarHBondContact O-N 2.95Å; L236-R239 PolarHBondContact N-O 3.31Å; L236-R239 VanDerWaalsContact N-O 3.09Å; L236-R239 WeakPolarHBondContact O-CB 3.24Å; L236-R239 PolarHBondContact O-N 2.8Å; L236-V241 HydrophobicContact CD1-CG2 4.27Å; L236-Y739 HydrophobicContact CB-CD2 4.1Å; L236-Y739 HydrophobicContact CB-CE2 4.08Å; L236-Y739 HydrophobicContact CD1-CD1 4.46Å; L236-Y739 HydrophobicContact CD1-CG 4.38Å; L236-L770 HydrophobicContact CD1-CD2 3.64Å; L236-W778 HydrophobicContact CD1-CZ2 4.44Å; L236-W778 HydrophobicContact CD2-CD2 4.09Å; L236-W778 HydrophobicContact CD2-CE3 3.95Å; L236-W778 HydrophobicContact CD2-CG 4.42Å; L236-W778 HydrophobicContact CD2-CZ3 4.49Å; L236-A782 HydrophobicContact CD2-CB 4.25Å
237	R	84.3	Confident	91.2	Very high	178 Å²	178	50.6 Å²	50.6	67%	0.672	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	29.2	-169.9	-71.9	-178.7	149.1	153	-4.2	114.7	R239 D783	R237-R239 VanDerWaalsContact C-N 3.3Å; R237-R239 PolarHBondContact O-N 3.25Å; R237-D783 WeakPolarHBondContact CD-OD1 3.42Å; R237-D783 IonicContact CZ-OD1 2.67Å; R237-D783 IonicContact CZ-OD2 2.69Å; R237-D783 IonicContact NE-OD1 3.15Å; R237-D783 PolarHBondContact NE-OD1 2.94Å; R237-D783 VanDerWaalsContact NE-OD1 3.08Å; R237-D783 IonicContact NE-OD2 2.86Å; R237-D783 PolarHBondContact NE-OD2 2.91Å; R237-D783 VanDerWaalsContact NH1-CG 3.26Å; R237-D783 IonicContact NH1-OD1 3.41Å; R237-D783 PolarHBondContact NH1-OD1 3.38Å; R237-D783 IonicContact NH1-OD2 3.26Å; R237-D783 PolarHBondContact NH1-OD2 2.95Å; R237-D783 IonicContact NH2-OD1 3.38Å; R237-D783 IonicContact NH2-OD2 2.79Å; R237-D783 PolarHBondContact NH2-OD2 3.24Å
238	G	84.6	Confident	91.3	Very high	43 Å²	43	57.1 Å²	57.1	44%	0.443	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-2.8	-177.4	0	0	0	0	0	116	L236	L236-G238 PolarHBondContact O-N 2.95Å
239	R	89.1	Confident	91.4	Very high	71 Å²	71	52.6 Å²	52.6	27%	0.268	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.5	166.8	-73.3	-177.6	168.3	-175	-0.9	109.7	D107 F235 L236 R237 D738 Y739	D107-R239 IonicContact OD1-CZ 3.72Å; D107-R239 IonicContact OD1-NE 2.72Å; D107-R239 IonicContact OD1-NH2 3.87Å; D107-R239 PolarHBondContact OD1-NH2 3.22Å; F235-R239 VanDerWaalsContact CA-O 3.32Å; F235-R239 WeakPolarHBondContact CA-O 3.22Å; L236-R239 PolarHBondContact N-O 3.31Å; L236-R239 VanDerWaalsContact N-O 3.09Å; L236-R239 WeakPolarHBondContact O-CB 3.24Å; L236-R239 PolarHBondContact O-N 2.8Å; R237-R239 VanDerWaalsContact C-N 3.3Å; R237-R239 PolarHBondContact O-N 3.25Å; R239-D738 IonicContact CZ-OD1 3.65Å; R239-D738 PolarHBondContact NH1-O 2.77Å; R239-D738 IonicContact NH1-OD1 2.93Å; R239-D738 PolarHBondContact NH1-OD1 3Å; R239-D738 IonicContact NH2-OD1 3.1Å; R239-D738 PolarHBondContact NH2-OD1 3.44Å; R239-Y739 HydrophobicContact CB-CD2 4.48Å
240	P	92.5	Very high	91.4	Very high	78 Å²	78	51.6 Å²	51.6	51%	0.506	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.8	178.1	30.5	-32.4	0	0	0	111.7	R233 M234 F235	R233-P240 HydrophobicContact CG-CB 3.81Å; M234-P240 CarbonylContact O-C 3.54Å; M234-P240 WeakPolarHBondContact O-CA 3.49Å; F235-P240 HydrophobicContact CD1-CB 4.07Å; F235-P240 HydrophobicContact CE1-CB 3.73Å; F235-P240 HydrophobicContact CZ-CB 4.47Å
241	V	95.2	Very high	91.1	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.4	168.7	-176.5	0	0	0	0	107.4	R233 M234 L236 M243 I741	R233-V241 CarbonylContact C-O 3.51Å; R233-V241 VanDerWaalsContact CA-O 3.31Å; R233-V241 WeakPolarHBondContact CA-O 3.34Å; M234-V241 HydrophobicContact CE-CB 4.49Å; M234-V241 PolarHBondContact N-O 2.89Å; M234-V241 PolarHBondContact O-N 2.83Å; L236-V241 HydrophobicContact CD1-CG2 4.27Å; V241-M243 HydrophobicContact CG1-CG 4.43Å; V241-I741 HydrophobicContact CG1-CD1 3.93Å; V241-I741 HydrophobicContact CG1-CG1 4.44Å
242	T	95.3	Very high	90.6	Very high	53 Å²	53	61 Å²	61	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.6	-175.4	-57.1	0	0	0	0	109.9	Y231 R233	Y231-T242 HydrophobicContact CD1-CG2 4.15Å; Y231-T242 HydrophobicContact CD2-CG2 3.56Å; Y231-T242 HydrophobicContact CE2-CG2 4.17Å; Y231-T242 HydrophobicContact CG-CG2 3.58Å; R233-T242 PolarHBondContact NE-OG1 2.9Å
243	M	95.1	Very high	90.3	Very high	6 Å²	6	62 Å²	62	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	-174.1	-65.8	166.8	-66.9	0	0	108.9	Y231 V232 M234 V241 I741 S771 F772 F775	Y231-M243 CarbonylContact C-O 3.39Å; Y231-M243 VanDerWaalsContact CA-O 3.32Å; Y231-M243 WeakPolarHBondContact CA-O 3.28Å; Y231-M243 WeakPolarHBondContact CB-O 3.22Å; V232-M243 PolarHBondContact N-O 2.85Å; V232-M243 PolarHBondContact O-N 3.12Å; M234-M243 HydrophobicContact CB-CE 3.69Å; M234-M243 HydrophobicContact CE-CE 4.21Å; V241-M243 HydrophobicContact CG1-CG 4.43Å; M243-I741 HydrophobicContact CG-CD1 3.57Å; M243-I741 HydrophobicContact SD-CD1 4.39Å; M243-S771 VanDerWaalsContact SD-C 3.59Å; M243-F772 HydrophobicContact CB-CB 4.17Å; M243-F775 HydrophobicContact CE-CB 3.59Å; M243-F775 HydrophobicContact CE-CD1 4.03Å; M243-F775 HydrophobicContact CE-CD2 4.08Å; M243-F775 HydrophobicContact CE-CG 3.62Å; M243-F775 HydrophobicContact SD-CB 3.64Å; M243-F775 HydrophobicContact SD-CD1 4.36Å; M243-F775 HydrophobicContact SD-CG 4.16Å
244	H	93.6	Very high	90	Very high	51 Å²	51	62.7 Å²	62.7	24%	0.236	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.7	-176.2	-72.2	-90	0	0	0	111.6	M755 R759 F772	H244-M755 HydrophobicContact CB-CE 4.01Å; H244-R759 HydrophobicContact CB-CB 4.24Å; H244-F772 WeakPolarHBondContact O-CB 3.39Å
245	V	93.6	Very high	89.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-82.8	131.4	176.6	-173.4	0	0	0	0	108.4	Y225 G230 V232 Q249 R250 F253 F772	Y225-V245 HydrophobicContact CD2-CG2 4.31Å; Y225-V245 HydrophobicContact CE2-CG2 3.79Å; G230-V245 PolarHBondContact O-N 3.05Å; V232-V245 HydrophobicContact CG2-CG2 4.01Å; V245-Q249 HydrophobicContact CG1-CB 4.06Å; V245-R250 HydrophobicContact CG1-CB 4.48Å; V245-F253 HydrophobicContact CG1-CB 4.37Å; V245-F253 HydrophobicContact CG1-CG 4.47Å; V245-F772 HydrophobicContact CB-CE2 4.27Å; V245-F772 HydrophobicContact CB-CZ 4.4Å; V245-F772 HydrophobicContact CG1-CE1 4.3Å; V245-F772 HydrophobicContact CG1-CE2 4.15Å; V245-F772 HydrophobicContact CG1-CZ 3.82Å; V245-F772 HydrophobicContact CG2-CD2 4.08Å; V245-F772 HydrophobicContact CG2-CE2 3.68Å; V245-F772 HydrophobicContact CG2-CZ 4.23Å
246	P	93.4	Very high	89.4	Confident	31 Å²	31	68.8 Å²	68.8	20%	0.201	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-60	144.5	172.4	-22.9	33.4	0	0	0	111.5	Q248 Q249 R250 F772	P246-Q248 PolarHBondContact O-N 2.99Å; P246-Q248 VanDerWaalsContact O-N 3.14Å; P246-Q249 PolarHBondContact O-N 3.36Å; P246-R250 PolarHBondContact O-N 2.99Å; P246-F772 VanDerWaalsContact CD-CD1 3.41Å; P246-F772 HydrophobicContact CG-CD1 4.15Å; P246-F772 HydrophobicContact CG-CE1 4.36Å
247	D	91.1	Very high	89.4	Confident	73 Å²	73	73.9 Å²	73.9	39%	0.39	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-33.7	-170.7	-66.1	-35.3	0	0	0	112.4	Q249 R250 N760	D247-Q249 PolarHBondContact O-N 2.85Å; D247-R250 WeakPolarHBondContact O-CB 3.06Å; D247-R250 PolarHBondContact O-N 3.37Å; D247-N760 PolarHBondContact N-OD1 2.85Å; D247-N760 PolarHBondContact OD2-ND2 3.11Å
248	Q	88.9	Confident	89.3	Confident	195 Å²	195	75 Å²	75	91%	0.911	40%	0.399	S	S	*	.	H	α-helix	trans	-62.4	-24.4	176.9	-61.9	-177.9	9.7	0	0	114.2	P246	P246-Q248 PolarHBondContact O-N 2.99Å; P246-Q248 VanDerWaalsContact O-N 3.14Å
249	Q	88.2	Confident	89.6	Confident	80 Å²	80	75.4 Å²	75.4	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-102.7	-14.3	-178	-59.5	-170.9	17.3	0	0	112.5	V245 P246 D247 D251 G252 F253	V245-Q249 HydrophobicContact CG1-CB 4.06Å; P246-Q249 PolarHBondContact O-N 3.36Å; D247-Q249 PolarHBondContact O-N 2.85Å; Q249-D251 PolarHBondContact O-N 3.26Å; Q249-G252 PolarHBondContact O-N 3.07Å; Q249-F253 WeakPolarHBondContact O-CB 3.48Å; Q249-F253 PolarHBondContact O-N 2.9Å
250	R	86.5	Confident	89.7	Confident	66 Å²	66	75.5 Å²	75.5	25%	0.249	41%	0.409	C	S	.	.	H	α-helix	trans	-60	-44.8	-167.1	-170.7	177.7	177.7	177.7	-2	114.3	Y225 A227 E228 V245 P246 D247 G252	Y225-R250 PolarHBondContact OH-O 2.89Å; A227-R250 PolarHBondContact O-NE 3.2Å; A227-R250 PolarHBondContact O-NH2 2.88Å; E228-R250 VanDerWaalsContact C-NH2 3.25Å; E228-R250 PolarHBondContact O-NH2 2.88Å; V245-R250 HydrophobicContact CG1-CB 4.48Å; P246-R250 PolarHBondContact O-N 2.99Å; D247-R250 WeakPolarHBondContact O-CB 3.06Å; D247-R250 PolarHBondContact O-N 3.37Å; R250-G252 VanDerWaalsContact C-N 3.28Å; R250-G252 PolarHBondContact O-N 3.37Å
251	D	82.7	Confident	89.9	Confident	168 Å²	168	75.7 Å²	75.7	90%	0.898	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.4	-176.6	-66.9	-22.1	0	0	0	113.4	Q249	Q249-D251 PolarHBondContact O-N 3.26Å
252	G	82.4	Confident	89.9	Confident	63 Å²	63	75.8 Å²	75.8	65%	0.649	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-7.5	179.3	0	0	0	0	0	114.7	Q249 R250 N254	Q249-G252 PolarHBondContact O-N 3.07Å; R250-G252 VanDerWaalsContact C-N 3.28Å; R250-G252 PolarHBondContact O-N 3.37Å; G252-N254 PolarHBondContact O-N 3.22Å
253	F	89.5	Confident	89.9	Confident	20 Å²	20	81.2 Å²	81.2	9%	0.088	43%	0.433	C	S	.	.			trans	-72.6	127.6	-171.7	-172.7	-95.2	0	0	0	112.7	Y225 V232 V245 Q249 L255 F772 S816	Y225-F253 AromaticContact CD1-CD1 3.96Å; Y225-F253 HydrophobicContact CD1-CD1 3.96Å; Y225-F253 AromaticContact CD2-CD1 3.71Å; Y225-F253 HydrophobicContact CD2-CD1 3.71Å; Y225-F253 HydrophobicContact CD2-CE1 4.02Å; Y225-F253 HydrophobicContact CE1-CD1 4.01Å; Y225-F253 AromaticContact CE2-CD1 3.82Å; Y225-F253 HydrophobicContact CE2-CD1 3.82Å; Y225-F253 AromaticContact CG-CD1 3.81Å; Y225-F253 HydrophobicContact CG-CD1 3.81Å; Y225-F253 HydrophobicContact CG-CE1 4.06Å; Y225-F253 AromaticContact CZ-CD1 3.95Å; V232-F253 HydrophobicContact CG2-CD1 4.22Å; V232-F253 HydrophobicContact CG2-CE1 3.39Å; V232-F253 HydrophobicContact CG2-CZ 3.66Å; V245-F253 HydrophobicContact CG1-CB 4.37Å; V245-F253 HydrophobicContact CG1-CG 4.47Å; Q249-F253 WeakPolarHBondContact O-CB 3.48Å; Q249-F253 PolarHBondContact O-N 2.9Å; F253-L255 HydrophobicContact CE1-CD2 3.74Å; F253-L255 HydrophobicContact CE1-CG 4.02Å; F253-L255 HydrophobicContact CZ-CD2 3.89Å; F253-F772 HydrophobicContact CD2-CE2 4.14Å; F253-F772 AromaticContact CD2-CZ 3.82Å; F253-F772 HydrophobicContact CD2-CZ 3.82Å; F253-F772 AromaticContact CE2-CE2 3.7Å; F253-F772 HydrophobicContact CE2-CE2 3.7Å; F253-F772 AromaticContact CE2-CZ 3.67Å; F253-F772 HydrophobicContact CE2-CZ 3.67Å; F253-F772 HydrophobicContact CZ-CE2 4.02Å; F253-F772 HydrophobicContact CZ-CZ 4.44Å; F253-S816 WeakPolarHBondContact CE2-O 3.34Å
254	N	87.9	Confident	90	Very high	85 Å²	85	85 Å²	85	46%	0.455	45%	0.45	S	S	.	.			trans	-140.3	129.8	175.3	-176.8	-5.5	0	0	0	110.1	G252 D256 Q257 Q817	G252-N254 PolarHBondContact O-N 3.22Å; N254-D256 VanDerWaalsContact C-N 3.28Å; N254-D256 PolarHBondContact O-N 3.38Å; N254-D256 PolarHBondContact OD1-N 2.97Å; N254-Q257 VanDerWaalsContact O-CB 3.28Å; N254-Q257 WeakPolarHBondContact O-CB 3.29Å; N254-Q257 PolarHBondContact O-N 2.92Å; N254-Q817 PolarHBondContact O-NE2 2.89Å; N254-Q817 PolarHBondContact O-OE1 2.98Å
255	L	88.2	Confident	90.2	Very high	34 Å²	34	88.1 Å²	88.1	18%	0.178	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.5	178.9	-72.3	174.2	0	0	0	114.3	Y225 V232 F253 Q257 P818	Y225-L255 VanDerWaalsContact N-CD1 3.34Å; V232-L255 HydrophobicContact CG1-CD2 4.13Å; V232-L255 HydrophobicContact CG2-CD2 4.42Å; F253-L255 HydrophobicContact CE1-CD2 3.74Å; F253-L255 HydrophobicContact CE1-CG 4.02Å; F253-L255 HydrophobicContact CZ-CD2 3.89Å; L255-Q257 VanDerWaalsContact C-N 3.26Å; L255-P818 HydrophobicContact CD2-CG 4.2Å
256	D	85.7	Confident	90.5	Very high	140 Å²	140	88.6 Å²	88.6	75%	0.749	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1.9	178.7	-66.9	-42.2	0	0	0	112.6	N254 K258	N254-D256 VanDerWaalsContact C-N 3.28Å; N254-D256 PolarHBondContact O-N 3.38Å; N254-D256 PolarHBondContact OD1-N 2.97Å; D256-K258 PolarHBondContact O-N 2.82Å
257	Q	88.8	Confident	90.7	Very high	111 Å²	111	94.2 Å²	94.2	52%	0.519	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-70.4	117.5	178.3	-174.9	-179	4.7	0	0	110.6	N254 L255 V259	N254-Q257 VanDerWaalsContact O-CB 3.28Å; N254-Q257 WeakPolarHBondContact O-CB 3.29Å; N254-Q257 PolarHBondContact O-N 2.92Å; L255-Q257 VanDerWaalsContact C-N 3.26Å; Q257-V259 PolarHBondContact O-N 3.03Å
258	K	84.1	Confident	91.1	Very high	200 Å²	200	91.5 Å²	91.5	87%	0.87	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-74	125.6	175.1	-63.2	-175.8	179.5	-177.6	0	110.6	D256	D256-K258 PolarHBondContact O-N 2.82Å
259	V	89.5	Confident	91.5	Very high	52 Å²	52	85.1 Å²	85.1	32%	0.315	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-88.2	150.4	169.2	-166.5	0	0	0	0	109	Q257 Q817 P821	Q257-V259 PolarHBondContact O-N 3.03Å; V259-Q817 HydrophobicContact CG2-CB 3.59Å; V259-Q817 HydrophobicContact CG2-CG 3.46Å; V259-Q817 VanDerWaalsContact CG2-CG 3.46Å; V259-P821 WeakPolarHBondContact O-CG 3.43Å
260	A	91.6	Very high	92	Very high	74 Å²	74	81.6 Å²	81.6	61%	0.612	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-80.5	163.5	171.1	0	0	0	0	0	111.3
261	L	96.1	Very high	92.6	Very high	81 Å²	81	78.4 Å²	78.4	42%	0.424	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-63.9	152.2	162	-77.7	163.1	0	0	0	109.6	P821 S822	L261-P821 HydrophobicContact CD2-CB 3.78Å; L261-P821 HydrophobicContact CD2-CG 4.42Å; L261-P821 HydrophobicContact CG-CB 4.02Å; L261-P821 HydrophobicContact CG-CG 4.37Å; L261-S822 VanDerWaalsContact CD2-C 3.4Å; L261-S822 WeakPolarHBondContact CD2-O 3.46Å
262	P	96.4	Very high	93.4	Very high	8 Å²	8	70.6 Å²	70.6	5%	0.052	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-62.7	142.7	168.8	27.4	-32.9	0	0	0	110.4	K264 L798 L810 A812 H823	P262-K264 PolarHBondContact O-N 2.82Å; P262-L798 HydrophobicContact CB-CD2 3.56Å; P262-L810 HydrophobicContact CG-CD2 4.35Å; P262-L810 HydrophobicContact CG-CG 4.17Å; P262-L810 WeakPolarHBondContact CG-O 3.39Å; P262-A812 HydrophobicContact CB-CB 4.31Å; P262-H823 PolarHBondContact O-NE2 3.41Å
263	D	94.8	Very high	94.1	Very high	168 Å²	168	67.6 Å²	67.6	90%	0.898	34%	0.34	S	S	*	.	S	Bend	trans	-65.6	-29.4	178.2	-68.2	-39.7	0	0	0	112.1
264	K	97.5	Very high	94.5	Very high	86 Å²	86	66.6 Å²	66.6	37%	0.374	34%	0.336	S	S	.	.			trans	-84.5	154.7	178.7	-68	-67.2	-172	165.4	0	112.9	P262 L798 L810 H823 V859 A860	P262-K264 PolarHBondContact O-N 2.82Å; K264-L798 HydrophobicContact CB-CD1 3.85Å; K264-L798 HydrophobicContact CB-CD2 4.06Å; K264-L798 HydrophobicContact CG-CD1 4.15Å; K264-L810 WeakPolarHBondContact O-CD2 3.29Å; K264-H823 PolarHBondContact O-CD2 2.68Å; K264-H823 PolarHBondContact O-NE2 3.12Å; K264-V859 HydrophobicContact CB-CG1 4.05Å; K264-V859 HydrophobicContact CD-CG1 4.24Å; K264-V859 HydrophobicContact CG-CG1 4.24Å; K264-A860 CarbonylContact C-O 3.57Å; K264-A860 WeakPolarHBondContact CA-O 3.34Å; K264-A860 VanDerWaalsContact CD-O 3.27Å; K264-A860 WeakPolarHBondContact CD-O 3.39Å; K264-A860 WeakPolarHBondContact CD-OXT 3.08Å; K264-A860 PolarHBondContact NZ-OXT 2.82Å
265	K	98.2	Very high	95	Very high	115 Å²	115	63.5 Å²	63.5	50%	0.5	32%	0.317	S	S	.	.			trans	-133.1	153.5	176	-69.4	-177.6	178.8	179.8	0	111.7	Y825 A860	K265-Y825 WeakPolarHBondContact CA-OH 3.36Å; K265-Y825 WeakPolarHBondContact CB-OH 3.29Å; K265-A860 PolarHBondContact N-O 3.41Å; K265-A860 PolarHBondContact O-N 3.24Å
266	L	98.6	Very high	95.4	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.2	168	-55.4	-176.2	0	0	0	111	V808 L810 Y825 L844 W857 V858 V859	L266-V808 HydrophobicContact CD1-CG1 3.74Å; L266-L810 HydrophobicContact CD2-CD1 4.46Å; L266-L810 HydrophobicContact CD2-CD2 4.22Å; L266-L810 HydrophobicContact CG-CB 4.45Å; L266-L810 HydrophobicContact CG-CD2 4.14Å; L266-Y825 HydrophobicContact CB-CD1 4.07Å; L266-Y825 HydrophobicContact CB-CD2 4.01Å; L266-Y825 HydrophobicContact CB-CE1 3.79Å; L266-Y825 HydrophobicContact CB-CE2 3.71Å; L266-Y825 HydrophobicContact CB-CG 4.18Å; L266-Y825 HydrophobicContact CD1-CD2 3.76Å; L266-Y825 HydrophobicContact CD1-CE2 3.84Å; L266-Y825 HydrophobicContact CD1-CG 4.42Å; L266-Y825 HydrophobicContact CG-CD2 4.11Å; L266-Y825 HydrophobicContact CG-CE2 3.72Å; L266-Y825 PolarHBondContact N-OH 3.44Å; L266-Y825 WeakPolarHBondContact O-CE1 3.41Å; L266-L844 HydrophobicContact CD1-CD2 3.58Å; L266-L844 HydrophobicContact CD2-CB 4.19Å; L266-L844 HydrophobicContact CD2-CD2 4.49Å; L266-W857 HydrophobicContact CB-CB 4.08Å; L266-W857 HydrophobicContact CB-CE3 4.35Å; L266-W857 HydrophobicContact CD1-CB 4.35Å; L266-W857 HydrophobicContact CD1-CG 4.37Å; L266-W857 HydrophobicContact CD2-CB 4.31Å; L266-W857 HydrophobicContact CG-CB 4.47Å; L266-V858 CarbonylContact C-O 3.56Å; L266-V858 WeakPolarHBondContact CA-O 3.4Å; L266-V859 HydrophobicContact CD2-CG2 3.93Å
267	K	98.3	Very high	96	Very high	150 Å²	150	61 Å²	61	65%	0.652	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.9	165.7	-177.7	-170.2	171.3	-167.4	0	108.9	Q269 W857 V858	K267-Q269 PolarHBondContact O-N 2.96Å; K267-W857 CarbonylContact O-C 3.58Å; K267-W857 WeakPolarHBondContact O-CA 3.26Å; K267-V858 PolarHBondContact N-O 3.34Å; K267-V858 PolarHBondContact O-N 3.45Å
268	L	98.6	Very high	96.2	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	130.8	173.7	-177.3	56.7	0	0	0	110.4	W270 V271 V298 H311 L313 L855 W857	L268-W270 WeakPolarHBondContact CD1-O 3.46Å; L268-V271 HydrophobicContact CD1-CG2 4.23Å; L268-V271 HydrophobicContact CD2-CG2 3.99Å; L268-V271 HydrophobicContact CG-CG2 4.48Å; L268-V298 HydrophobicContact CD2-CG1 4.46Å; L268-H311 HydrophobicContact CD2-CB 3.89Å; L268-L313 HydrophobicContact CD2-CD1 4.37Å; L268-L313 HydrophobicContact CD2-CD2 3.9Å; L268-L855 HydrophobicContact CD1-CB 3.89Å; L268-L855 HydrophobicContact CD1-CD2 3.65Å; L268-L855 HydrophobicContact CD1-CG 4.02Å; L268-L855 HydrophobicContact CD2-CD2 3.88Å; L268-L855 HydrophobicContact CG-CD2 4.42Å; L268-W857 HydrophobicContact CB-CE3 3.91Å; L268-W857 HydrophobicContact CB-CZ3 3.91Å; L268-W857 HydrophobicContact CD1-CD2 4.39Å; L268-W857 HydrophobicContact CD1-CE3 4.31Å; L268-W857 HydrophobicContact CD1-CZ3 4.43Å
269	Q	98.3	Very high	96.8	Very high	61 Å²	61	49.7 Å²	49.7	29%	0.285	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-39.6	-179.6	178.6	-162.7	37.6	0	0	111.3	K267 H311 H843 Q856 V858	K267-Q269 PolarHBondContact O-N 2.96Å; Q269-H311 PolarHBondContact O-CE1 2.84Å; Q269-H843 PolarHBondContact NE2-NE2 3.5Å; Q269-H843 PolarHBondContact OE1-CD2 3.04Å; Q269-H843 PolarHBondContact OE1-NE2 2.99Å; Q269-Q856 PolarHBondContact N-O 3.34Å; Q269-V858 HydrophobicContact CB-CG2 3.77Å; Q269-V858 HydrophobicContact CG-CG2 3.99Å
270	W	98.8	Very high	97	Very high	6 Å²	6	50.6 Å²	50.6	2%	0.023	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.4	179.4	-151.1	-96.3	0	0	0	113.2	L268 Y272 Y302 Q307 Q309 H620 L855 Q856	L268-W270 WeakPolarHBondContact CD1-O 3.46Å; W270-Y272 HydrophobicContact CB-CE2 4.24Å; W270-Y272 AromaticContact CD1-CD2 3.72Å; W270-Y272 AromaticContact CD1-CE2 3.65Å; W270-Y272 AromaticContact CD1-CG 3.94Å; W270-Y272 AromaticContact CD1-CZ 3.85Å; W270-Y272 HydrophobicContact CG-CE2 4.27Å; W270-Y302 AromaticContact CH2-CD2 3.88Å; W270-Y302 HydrophobicContact CH2-CD2 3.88Å; W270-Y302 AromaticContact CH2-CE2 3.49Å; W270-Y302 HydrophobicContact CH2-CE2 3.49Å; W270-Y302 VanDerWaalsContact CH2-CE2 3.49Å; W270-Y302 AromaticContact CH2-CZ 3.97Å; W270-Y302 HydrophobicContact CZ2-CD2 4.32Å; W270-Y302 HydrophobicContact CZ2-CE1 4.4Å; W270-Y302 AromaticContact CZ2-CE2 3.93Å; W270-Y302 HydrophobicContact CZ2-CE2 3.93Å; W270-Y302 AromaticContact CZ2-CZ 3.97Å; W270-Q307 WeakPolarHBondContact CZ3-O 3.39Å; W270-Q309 HydrophobicContact CD2-CG 3.86Å; W270-Q309 HydrophobicContact CE3-CB 4.1Å; W270-Q309 HydrophobicContact CE3-CG 3.64Å; W270-Q309 HydrophobicContact CH2-CG 3.98Å; W270-Q309 HydrophobicContact CZ2-CG 4.13Å; W270-Q309 HydrophobicContact CZ3-CB 4.34Å; W270-Q309 HydrophobicContact CZ3-CG 3.73Å; W270-H620 HydrophobicContact CD2-CB 3.75Å; W270-H620 AromaticContact CD2-CD2 3.53Å; W270-H620 AromaticContact CD2-CE1 3.97Å; W270-H620 AromaticContact CD2-CG 3.41Å; W270-H620 VanDerWaalsContact CD2-CG 3.41Å; W270-H620 AromaticContact CD2-ND1 3.7Å; W270-H620 AromaticContact CD2-NE2 3.88Å; W270-H620 AromaticContact CE2-CD2 3.8Å; W270-H620 AromaticContact CE2-CG 3.53Å; W270-H620 HydrophobicContact CE3-CB 4.41Å; W270-H620 AromaticContact CE3-CD2 3.31Å; W270-H620 AromaticContact CE3-CE1 3.87Å; W270-H620 AromaticContact CE3-CG 3.72Å; W270-H620 AromaticContact CE3-NE2 3.41Å; W270-H620 HydrophobicContact CG-CB 4.05Å; W270-H620 AromaticContact CG-CG 3.75Å; W270-H620 AromaticContact CG-ND1 3.6Å; W270-H620 HydrophobicContact CH2-CB 4.26Å; W270-H620 AromaticContact CH2-CD2 3.63Å; W270-H620 HydrophobicContact CZ2-CB 3.61Å; W270-H620 AromaticContact CZ2-CD2 3.88Å; W270-H620 AromaticContact CZ2-CG 3.93Å; W270-H620 AromaticContact CZ3-CD2 3.34Å; W270-H620 WeakPolarHBondContact CZ3-CD2 3.35Å; W270-H620 AromaticContact CZ3-NE2 3.72Å; W270-H620 AromaticContact NE1-CG 3.91Å; W270-L855 WeakPolarHBondContact O-CA 3.32Å; W270-Q856 HydrophobicContact CB-CB 4.11Å; W270-Q856 PolarHBondContact N-O 2.93Å; W270-Q856 PolarHBondContact O-N 2.78Å
271	V	98.8	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	168	-177.5	0	0	0	0	107.5	L268 N295 V298 V300 Q309 L855	L268-V271 HydrophobicContact CD1-CG2 4.23Å; L268-V271 HydrophobicContact CD2-CG2 3.99Å; L268-V271 HydrophobicContact CG-CG2 4.48Å; V271-N295 HydrophobicContact CG1-CB 4.19Å; V271-V298 HydrophobicContact CG2-CB 4.41Å; V271-V298 HydrophobicContact CG2-CG1 4.05Å; V271-V300 HydrophobicContact CB-CG2 3.86Å; V271-V300 HydrophobicContact CG1-CG2 4.18Å; V271-V300 HydrophobicContact CG2-CG2 4.12Å; V271-Q309 PolarHBondContact O-NE2 2.8Å; V271-L855 HydrophobicContact CG2-CD2 4.15Å; V271-L855 HydrophobicContact CG2-CG 4.1Å
272	Y	98.8	Very high	96.9	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	152.3	173.1	-61.3	-102.3	0	0	0	110.6	W270 N295 F603 W615 H620 I854 Q856	W270-Y272 HydrophobicContact CB-CE2 4.24Å; W270-Y272 AromaticContact CD1-CD2 3.72Å; W270-Y272 AromaticContact CD1-CE2 3.65Å; W270-Y272 AromaticContact CD1-CG 3.94Å; W270-Y272 AromaticContact CD1-CZ 3.85Å; W270-Y272 HydrophobicContact CG-CE2 4.27Å; Y272-N295 PolarHBondContact O-ND2 3.05Å; Y272-N295 VanDerWaalsContact O-ND2 3.13Å; Y272-F603 HydrophobicContact CD2-CZ 4.42Å; Y272-F603 HydrophobicContact CE1-CZ 4.39Å; Y272-F603 HydrophobicContact CE2-CE1 4.28Å; Y272-F603 AromaticContact CE2-CZ 3.95Å; Y272-F603 HydrophobicContact CE2-CZ 3.95Å; Y272-F603 AromaticContact CZ-CZ 3.93Å; Y272-W615 HydrophobicContact CD1-CD2 4.21Å; Y272-W615 AromaticContact CD1-CE3 3.53Å; Y272-W615 HydrophobicContact CD1-CE3 3.53Å; Y272-W615 HydrophobicContact CD1-CH2 4.23Å; Y272-W615 AromaticContact CD1-CZ3 3.54Å; Y272-W615 HydrophobicContact CD1-CZ3 3.54Å; Y272-W615 HydrophobicContact CE1-CD2 4.24Å; Y272-W615 AromaticContact CE1-CE3 3.61Å; Y272-W615 HydrophobicContact CE1-CE3 3.61Å; Y272-W615 HydrophobicContact CE1-CZ3 4.07Å; Y272-H620 HydrophobicContact CE1-CB 3.98Å; Y272-H620 WeakPolarHBondContact CE1-O 3.44Å; Y272-H620 PolarHBondContact OH-ND1 3.48Å; Y272-I854 HydrophobicContact CD2-CB 4.07Å; Y272-I854 HydrophobicContact CD2-CG2 4.24Å; Y272-I854 HydrophobicContact CG-CB 4.34Å; Y272-I854 PolarHBondContact N-O 3.28Å; Y272-Q856 HydrophobicContact CE2-CB 4.1Å; Y272-Q856 PolarHBondContact OH-OE1 3.08Å
273	G	97.7	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.			trans	78.6	159.9	-176.3	0	0	0	0	0	114.9	Q585	G273-Q585 WeakPolarHBondContact CA-O 3.31Å; G273-Q585 PolarHBondContact N-O 2.78Å
274	Y	98.6	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.186	C	C	.	.			trans	-132.3	137.7	176.2	149.3	-105.6	0	0	0	108.5	G276 N282 Y293 A553 N569 A570 I571	Y274-G276 PolarHBondContact O-N 2.85Å; Y274-N282 PolarHBondContact OH-OD1 3.23Å; Y274-N282 VanDerWaalsContact OH-OD1 3.08Å; Y274-Y293 AromaticContact CD2-CD2 3.88Å; Y274-Y293 HydrophobicContact CD2-CD2 3.88Å; Y274-Y293 HydrophobicContact CD2-CG 4.08Å; Y274-Y293 HydrophobicContact CG-CD2 4.48Å; Y274-A553 WeakPolarHBondContact OH-CB 3.47Å; Y274-N569 PolarHBondContact N-O 2.74Å; Y274-N569 VanDerWaalsContact N-O 3.1Å; Y274-N569 CarbonylContact O-C 3.57Å; Y274-N569 WeakPolarHBondContact O-CA 3.34Å; Y274-N569 WeakPolarHBondContact O-CB 3.47Å; Y274-N569 PolarHBondContact O-OD1 2.88Å; Y274-N569 VanDerWaalsContact O-OD1 3.06Å; Y274-A570 WeakPolarHBondContact CD1-O 3.5Å; Y274-I571 HydrophobicContact CD1-CG1 3.84Å; Y274-I571 HydrophobicContact CD2-CD1 3.84Å; Y274-I571 HydrophobicContact CD2-CG1 4.04Å; Y274-I571 HydrophobicContact CE1-CG1 4.47Å; Y274-I571 HydrophobicContact CG-CD1 3.79Å; Y274-I571 HydrophobicContact CG-CG1 3.58Å
275	R	98.2	Very high	97.2	Very high	19 Å²	19	39.3 Å²	39.3	7%	0.072	18%	0.178	C	C	.	.			trans	-80.8	82	-178.4	-166.6	173.7	-171.2	152	10.4	112.9	D278 C279 N282 F294 D318	R275-D278 WeakPolarHBondContact CG-OD1 3.49Å; R275-D278 IonicContact CZ-OD1 3.9Å; R275-D278 IonicContact CZ-OD2 3.17Å; R275-D278 IonicContact NE-OD1 2.73Å; R275-D278 PolarHBondContact NE-OD1 2.89Å; R275-D278 IonicContact NE-OD2 2.87Å; R275-D278 PolarHBondContact NE-OD2 2.75Å; R275-D278 IonicContact NH2-OD2 3.11Å; R275-D278 PolarHBondContact NH2-OD2 3.06Å; R275-C279 VanDerWaalsContact CD-SG 3.53Å; R275-C279 HydrophobicContact CG-CB 4.16Å; R275-C279 PolarHBondContact NE-SG 3.23Å; R275-C279 WeakPolarHBondContact O-CB 3.46Å; R275-N282 PolarHBondContact O-ND2 3.02Å; R275-F294 HydrophobicContact CB-CD2 4.11Å; R275-F294 HydrophobicContact CB-CE2 4.21Å; R275-F294 WeakPolarHBondContact CB-O 3.5Å; R275-F294 PolarHBondContact N-O 3.32Å; R275-F294 VanDerWaalsContact N-O 3.1Å; R275-D318 IonicContact CZ-OD1 3.78Å; R275-D318 IonicContact CZ-OD2 2.84Å; R275-D318 VanDerWaalsContact CZ-OD2 3.29Å; R275-D318 IonicContact NH1-OD1 3.74Å; R275-D318 PolarHBondContact NH1-OD1 3.41Å; R275-D318 IonicContact NH1-OD2 2.72Å; R275-D318 PolarHBondContact NH1-OD2 3.18Å; R275-D318 IonicContact NH2-OD1 2.67Å; R275-D318 IonicContact NH2-OD2 3.83Å; R275-D318 PolarHBondContact NH2-OD2 2.98Å
276	G	97.3	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.			trans	-106.7	-19.4	-179.4	0	0	0	0	0	115.6	Y274 R552 T566 N569	Y274-G276 PolarHBondContact O-N 2.85Å; G276-R552 WeakPolarHBondContact O-CG 3.3Å; G276-R552 PolarHBondContact O-NE 3.38Å; G276-T566 CarbonylContact C-O 3.58Å; G276-T566 VanDerWaalsContact CA-O 3.3Å; G276-T566 WeakPolarHBondContact CA-O 3.49Å; G276-N569 PolarHBondContact N-OD1 3.02Å
277	R	96.6	Very high	96.9	Very high	122 Å²	122	38.5 Å²	38.5	46%	0.46	19%	0.185	S	C	.	.	S	Bend	trans	-58.5	-58.7	179.9	-176.6	172.3	174.2	156.3	-7.3	112	R552 T567 N569 T588 D589	R277-R552 PolarHBondContact O-NH2 3.34Å; R277-T567 WeakPolarHBondContact CA-O 3.37Å; R277-N569 PolarHBondContact N-OD1 3.31Å; R277-T588 WeakPolarHBondContact CD-O 3.3Å; R277-T588 PolarHBondContact NH1-O 3.22Å; R277-D589 IonicContact CZ-OD2 2.96Å; R277-D589 IonicContact NH1-OD2 3.05Å; R277-D589 PolarHBondContact NH1-OD2 3.38Å; R277-D589 IonicContact NH2-OD2 3.76Å; R277-D589 PolarHBondContact NH2-OD2 2.8Å; R277-D589 VanDerWaalsContact NH2-OD2 3.15Å
278	D	94.2	Very high	96.7	Very high	67 Å²	67	35 Å²	35	36%	0.358	18%	0.176	S	C	.	.	S	Bend	trans	-102.9	-26.7	-173	70.3	-27.6	0	0	0	114.6	R275 K320	R275-D278 WeakPolarHBondContact CG-OD1 3.49Å; R275-D278 IonicContact CZ-OD1 3.9Å; R275-D278 IonicContact CZ-OD2 3.17Å; R275-D278 IonicContact NE-OD1 2.73Å; R275-D278 PolarHBondContact NE-OD1 2.89Å; R275-D278 IonicContact NE-OD2 2.87Å; R275-D278 PolarHBondContact NE-OD2 2.75Å; R275-D278 IonicContact NH2-OD2 3.11Å; R275-D278 PolarHBondContact NH2-OD2 3.06Å; D278-K320 IonicContact OD2-NZ 2.8Å; D278-K320 PolarHBondContact OD2-NZ 2.75Å
279	C	95.6	Very high	96.4	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.041	18%	0.179	C	C	.	.			trans	-95.8	167.7	-178	-62.1	0	0	0	0	113.2	R275 F294 R552	R275-C279 VanDerWaalsContact CD-SG 3.53Å; R275-C279 HydrophobicContact CG-CB 4.16Å; R275-C279 PolarHBondContact NE-SG 3.23Å; R275-C279 WeakPolarHBondContact O-CB 3.46Å; C279-F294 HydrophobicContact CB-CE2 3.94Å; C279-F294 HydrophobicContact CB-CZ 4.1Å; C279-R552 WeakPolarHBondContact O-CD 3.21Å; C279-R552 WeakPolarHBondContact O-CG 3.25Å; C279-R552 PolarHBondContact O-NE 3.4Å
280	R	93.8	Very high	96.4	Very high	72 Å²	72	32.6 Å²	32.6	27%	0.272	17%	0.169	S	C	.	.			trans	-153.5	167.7	-179.2	70.8	-165.3	74.8	92.4	5.7	111.1	N282 L420	R280-N282 VanDerWaalsContact CA-OD1 3.29Å; R280-N282 WeakPolarHBondContact CA-OD1 3.15Å; R280-N282 PolarHBondContact O-N 3.3Å; R280-N282 PolarHBondContact O-OD1 2.82Å; R280-L420 WeakPolarHBondContact CD-O 3.46Å
281	C	89.6	Confident	96.4	Very high	61 Å²	61	32.3 Å²	32.3	41%	0.412	17%	0.168	S	C	.	.	S	Bend	trans	52.1	42.2	179.7	-61.1	0	0	0	0	112.7	Y284	C281-Y284 PolarHBondContact O-OH 2.89Å
282	N	97.3	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.			trans	-133.8	32.4	-167.6	60	-39.2	0	0	0	113	Y274 R275 R280 Y293 F294	Y274-N282 PolarHBondContact OH-OD1 3.23Å; Y274-N282 VanDerWaalsContact OH-OD1 3.08Å; R275-N282 PolarHBondContact O-ND2 3.02Å; R280-N282 VanDerWaalsContact CA-OD1 3.29Å; R280-N282 WeakPolarHBondContact CA-OD1 3.15Å; R280-N282 PolarHBondContact O-N 3.3Å; R280-N282 PolarHBondContact O-OD1 2.82Å; N282-Y293 WeakPolarHBondContact O-CA 3.4Å; N282-Y293 WeakPolarHBondContact O-CB 3.23Å; N282-F294 HydrophobicContact CB-CD1 4.02Å; N282-F294 HydrophobicContact CB-CE1 3.26Å; N282-F294 HydrophobicContact CB-CE2 4.26Å; N282-F294 HydrophobicContact CB-CZ 3.39Å
283	L	98.3	Very high	96.4	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	17%	0.167	C	C	.	.			trans	-140.5	126.6	174.7	-178	61.2	0	0	0	108.4	V292 Y293 A553 A555 F563 I571	L283-V292 WeakPolarHBondContact CA-O 3.34Å; L283-Y293 HydrophobicContact CD1-CD1 4.46Å; L283-A553 HydrophobicContact CB-CB 4.18Å; L283-A555 HydrophobicContact CG-CB 4.03Å; L283-F563 HydrophobicContact CD2-CB 3.96Å; L283-I571 HydrophobicContact CD1-CD1 3.82Å; L283-I571 HydrophobicContact CD1-CG1 4.44Å; L283-I571 HydrophobicContact CD1-CG2 4.33Å; L283-I571 HydrophobicContact CD2-CG2 4.1Å
284	Y	97.8	Very high	96.4	Very high	70 Å²	70	32.2 Å²	32.2	28%	0.275	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.4	-179.2	-64.8	-84.6	0	0	0	110.2	C281 I291 V292 L322 V324	C281-Y284 PolarHBondContact O-OH 2.89Å; Y284-I291 CarbonylContact O-C 3.53Å; Y284-I291 VanDerWaalsContact O-CA 3.27Å; Y284-I291 WeakPolarHBondContact O-CA 3.46Å; Y284-V292 PolarHBondContact N-O 3.05Å; Y284-V292 PolarHBondContact O-N 2.85Å; Y284-L322 HydrophobicContact CD2-CD2 3.65Å; Y284-L322 HydrophobicContact CD2-CG 3.87Å; Y284-L322 HydrophobicContact CE2-CB 4.36Å; Y284-L322 HydrophobicContact CE2-CD2 4.01Å; Y284-L322 HydrophobicContact CE2-CG 3.84Å; Y284-V324 HydrophobicContact CD1-CG2 4.14Å; Y284-V324 HydrophobicContact CD2-CG2 4.18Å; Y284-V324 HydrophobicContact CG-CG2 3.81Å
285	L	97.4	Very high	96.4	Very high	42 Å²	42	32.2 Å²	32.2	22%	0.22	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.8	166.7	176.3	68.2	0	0	0	109.1	I291 G557 F563	L285-I291 HydrophobicContact CD1-CG2 3.9Å; L285-G557 VanDerWaalsContact CD2-C 3.46Å; L285-F563 HydrophobicContact CD1-CE2 4.26Å; L285-F563 HydrophobicContact CD2-CE2 4.32Å
286	L	97	Very high	96.4	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.164	C	C	.	.			trans	-87.3	156.4	171	-64.4	-177.6	0	0	0	111.7	T288 G289 E290 V292 L301 V324 I331	L286-T288 WeakPolarHBondContact CB-OG1 3.28Å; L286-T288 PolarHBondContact O-N 2.82Å; L286-G289 PolarHBondContact O-N 2.81Å; L286-E290 PolarHBondContact N-O 3.1Å; L286-V292 HydrophobicContact CD1-CG2 3.58Å; L286-V292 HydrophobicContact CD2-CG2 4.39Å; L286-V292 HydrophobicContact CG-CG2 3.62Å; L286-L301 HydrophobicContact CD1-CD2 4.05Å; L286-V324 HydrophobicContact CD2-CG1 3.96Å; L286-V324 HydrophobicContact CD2-CG2 4.28Å; L286-I331 HydrophobicContact CD1-CD1 4.34Å; L286-I331 HydrophobicContact CD2-CD1 4.39Å
287	P	93.8	Very high	96.5	Very high	104 Å²	104	31.5 Å²	31.5	68%	0.675	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.2	174	-23.9	34.1	0	0	0	114.7	G289 M328	P287-G289 PolarHBondContact O-N 2.66Å; P287-M328 HydrophobicContact CG-CB 3.5Å; P287-M328 VanDerWaalsContact CG-CB 3.5Å; P287-M328 HydrophobicContact CG-CG 4.08Å
288	T	93.9	Very high	96.6	Very high	76 Å²	76	25.7 Å²	25.7	47%	0.466	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.4	172.2	52.8	0	0	0	0	113.2	L286 E290	L286-T288 WeakPolarHBondContact CB-OG1 3.28Å; L286-T288 PolarHBondContact O-N 2.82Å; T288-E290 VanDerWaalsContact CB-OE2 3.32Å; T288-E290 WeakPolarHBondContact CB-OE2 3.15Å; T288-E290 WeakPolarHBondContact OG1-CG 3.4Å; T288-E290 PolarHBondContact OG1-N 3.24Å; T288-E290 PolarHBondContact OG1-OE2 2.89Å
289	G	93.7	Very high	96.8	Very high	14 Å²	14	22.5 Å²	22.5	14%	0.144	13%	0.126	C	C	.	.	S	Bend	trans	91.8	-2.4	-170.4	0	0	0	0	0	113.6	L286 P287	L286-G289 PolarHBondContact O-N 2.81Å; P287-G289 PolarHBondContact O-N 2.66Å
290	E	97.8	Very high	96.9	Very high	13 Å²	13	22.2 Å²	22.2	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.8	178.1	-63.8	165.9	113.8	0	0	111.2	L286 T288 L301 Y302 N303 R310	L286-E290 PolarHBondContact N-O 3.1Å; T288-E290 VanDerWaalsContact CB-OE2 3.32Å; T288-E290 WeakPolarHBondContact CB-OE2 3.15Å; T288-E290 WeakPolarHBondContact OG1-CG 3.4Å; T288-E290 PolarHBondContact OG1-N 3.24Å; T288-E290 PolarHBondContact OG1-OE2 2.89Å; E290-L301 HydrophobicContact CB-CB 4.35Å; E290-Y302 CarbonylContact C-O 3.57Å; E290-Y302 WeakPolarHBondContact CA-O 2.92Å; E290-N303 HydrophobicContact CG-CB 4.06Å; E290-R310 IonicContact OE1-CZ 3.65Å; E290-R310 IonicContact OE1-NE 2.83Å; E290-R310 PolarHBondContact OE1-NE 2.87Å; E290-R310 IonicContact OE1-NH2 3.79Å; E290-R310 PolarHBondContact OE1-NH2 2.81Å; E290-R310 IonicContact OE2-CZ 3.37Å; E290-R310 IonicContact OE2-NH2 3.93Å; E290-R310 PolarHBondContact OE2-NH2 3.16Å
291	I	98.3	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138	164.4	63.8	171.2	0	0	0	109.4	Y284 L285 Y293 L301 Y302 T304 F563 I571 I583	Y284-I291 CarbonylContact O-C 3.53Å; Y284-I291 VanDerWaalsContact O-CA 3.27Å; Y284-I291 WeakPolarHBondContact O-CA 3.46Å; L285-I291 HydrophobicContact CD1-CG2 3.9Å; I291-Y293 HydrophobicContact CD1-CD1 4.33Å; I291-Y293 HydrophobicContact CD1-CE1 4.14Å; I291-Y293 HydrophobicContact CG1-CD1 4.29Å; I291-Y293 HydrophobicContact CG1-CE1 4.21Å; I291-L301 WeakPolarHBondContact O-CA 3.42Å; I291-Y302 HydrophobicContact CD1-CD1 3.94Å; I291-Y302 HydrophobicContact CG1-CD1 4.12Å; I291-Y302 HydrophobicContact CG1-CG 4.33Å; I291-Y302 WeakPolarHBondContact CG1-O 3.12Å; I291-Y302 PolarHBondContact N-O 3.28Å; I291-Y302 PolarHBondContact O-N 2.83Å; I291-T304 HydrophobicContact CD1-CG2 4.17Å; I291-T304 HydrophobicContact CG1-CG2 4.31Å; I291-F563 HydrophobicContact CG2-CD1 4.07Å; I291-F563 HydrophobicContact CG2-CD2 3.74Å; I291-F563 HydrophobicContact CG2-CE1 3.96Å; I291-F563 HydrophobicContact CG2-CE2 3.62Å; I291-F563 HydrophobicContact CG2-CG 3.97Å; I291-F563 HydrophobicContact CG2-CZ 3.73Å; I291-I571 HydrophobicContact CD1-CD1 4.28Å; I291-I571 HydrophobicContact CD1-CG2 4.15Å; I291-I583 HydrophobicContact CD1-CD1 3.72Å
292	V	98.7	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.4	-178.5	-174.2	0	0	0	0	110.2	L283 Y284 L286 V299 V300 L301 L322 I331	L283-V292 WeakPolarHBondContact CA-O 3.34Å; Y284-V292 PolarHBondContact N-O 3.05Å; Y284-V292 PolarHBondContact O-N 2.85Å; L286-V292 HydrophobicContact CD1-CG2 3.58Å; L286-V292 HydrophobicContact CD2-CG2 4.39Å; L286-V292 HydrophobicContact CG-CG2 3.62Å; V292-V299 HydrophobicContact CG1-CG1 3.77Å; V292-V300 WeakPolarHBondContact CA-O 3.35Å; V292-L301 HydrophobicContact CG1-CG 4.46Å; V292-L301 HydrophobicContact CG2-CB 4.34Å; V292-L301 HydrophobicContact CG2-CD2 4.14Å; V292-L301 HydrophobicContact CG2-CG 3.98Å; V292-L322 HydrophobicContact CG1-CD1 4.41Å; V292-L322 HydrophobicContact CG1-CD2 4.04Å; V292-I331 HydrophobicContact CG1-CD1 4.32Å
293	Y	98.9	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-177.5	178.2	62.6	-87.7	0	0	0	109.7	Y274 N282 L283 I291 V299 V300 Y302 Q309 I571 V584	Y274-Y293 AromaticContact CD2-CD2 3.88Å; Y274-Y293 HydrophobicContact CD2-CD2 3.88Å; Y274-Y293 HydrophobicContact CD2-CG 4.08Å; Y274-Y293 HydrophobicContact CG-CD2 4.48Å; N282-Y293 WeakPolarHBondContact O-CA 3.4Å; N282-Y293 WeakPolarHBondContact O-CB 3.23Å; L283-Y293 HydrophobicContact CD1-CD1 4.46Å; I291-Y293 HydrophobicContact CD1-CD1 4.33Å; I291-Y293 HydrophobicContact CD1-CE1 4.14Å; I291-Y293 HydrophobicContact CG1-CD1 4.29Å; I291-Y293 HydrophobicContact CG1-CE1 4.21Å; Y293-V299 CarbonylContact O-C 3.53Å; Y293-V299 WeakPolarHBondContact O-CA 3.48Å; Y293-V299 WeakPolarHBondContact O-CG1 3.28Å; Y293-V300 HydrophobicContact CD2-CB 4.26Å; Y293-V300 HydrophobicContact CD2-CG2 4.47Å; Y293-V300 HydrophobicContact CE1-CB 4.14Å; Y293-V300 HydrophobicContact CE1-CG1 4.03Å; Y293-V300 HydrophobicContact CE2-CB 3.87Å; Y293-V300 HydrophobicContact CE2-CG1 4.25Å; Y293-V300 HydrophobicContact CE2-CG2 3.96Å; Y293-V300 PolarHBondContact N-O 2.77Å; Y293-V300 VanDerWaalsContact N-O 3.12Å; Y293-V300 PolarHBondContact O-N 3Å; Y293-Y302 HydrophobicContact CE1-CD1 4.33Å; Y293-Q309 PolarHBondContact OH-NE2 3.45Å; Y293-I571 HydrophobicContact CD1-CD1 3.45Å; Y293-I571 VanDerWaalsContact CD1-CD1 3.45Å; Y293-I571 HydrophobicContact CD2-CD1 4.02Å; Y293-I571 HydrophobicContact CE1-CD1 3.69Å; Y293-I571 HydrophobicContact CE2-CD1 4.22Å; Y293-I571 HydrophobicContact CG-CD1 3.63Å; Y293-V584 HydrophobicContact CE1-CG2 4.27Å; Y293-V584 HydrophobicContact CE2-CG1 4.49Å; Y293-V584 WeakPolarHBondContact OH-CG2 3.16Å
294	F	98.8	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.6	174.2	54.2	-105.8	0	0	0	112.7	R275 C279 N282 V298 V299 V319 K320 L322	R275-F294 HydrophobicContact CB-CD2 4.11Å; R275-F294 HydrophobicContact CB-CE2 4.21Å; R275-F294 WeakPolarHBondContact CB-O 3.5Å; R275-F294 PolarHBondContact N-O 3.32Å; R275-F294 VanDerWaalsContact N-O 3.1Å; C279-F294 HydrophobicContact CB-CE2 3.94Å; C279-F294 HydrophobicContact CB-CZ 4.1Å; N282-F294 HydrophobicContact CB-CD1 4.02Å; N282-F294 HydrophobicContact CB-CE1 3.26Å; N282-F294 HydrophobicContact CB-CE2 4.26Å; N282-F294 HydrophobicContact CB-CZ 3.39Å; F294-V298 VanDerWaalsContact CA-O 3.23Å; F294-V298 WeakPolarHBondContact CA-O 3.2Å; F294-V298 WeakPolarHBondContact CB-O 3.46Å; F294-V299 HydrophobicContact CB-CG1 4.49Å; F294-V319 HydrophobicContact CB-CB 4.02Å; F294-V319 HydrophobicContact CB-CG1 4.06Å; F294-V319 HydrophobicContact CD1-CB 4.2Å; F294-V319 HydrophobicContact CD1-CG1 3.46Å; F294-V319 VanDerWaalsContact CD1-CG1 3.46Å; F294-V319 HydrophobicContact CD2-CB 3.97Å; F294-V319 HydrophobicContact CD2-CG1 4.1Å; F294-V319 WeakPolarHBondContact CD2-O 3.47Å; F294-V319 HydrophobicContact CE1-CG1 3.8Å; F294-V319 HydrophobicContact CE2-CB 4.48Å; F294-V319 HydrophobicContact CE2-CG1 4.41Å; F294-V319 WeakPolarHBondContact CE2-O 3.45Å; F294-V319 HydrophobicContact CG-CB 3.82Å; F294-V319 HydrophobicContact CG-CG1 3.62Å; F294-V319 HydrophobicContact CZ-CG1 4.28Å; F294-K320 VanDerWaalsContact CZ-C 3.48Å; F294-L322 HydrophobicContact CD1-CB 4.04Å; F294-L322 HydrophobicContact CD1-CD2 4.41Å; F294-L322 HydrophobicContact CE1-CB 3.8Å
295	N	98.1	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.9	164.3	-158.4	12.8	0	0	0	108.6	V271 Y272 S297 V298 D851 S853	V271-N295 HydrophobicContact CG1-CB 4.19Å; Y272-N295 PolarHBondContact O-ND2 3.05Å; Y272-N295 VanDerWaalsContact O-ND2 3.13Å; N295-S297 PolarHBondContact O-N 3.28Å; N295-V298 PolarHBondContact N-O 3.21Å; N295-V298 PolarHBondContact O-N 3.37Å; N295-V298 VanDerWaalsContact O-O 3.07Å; N295-D851 PolarHBondContact OD1-O 2.85Å; N295-S853 WeakPolarHBondContact ND2-CB 3.36Å
296	A	98.1	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-129.8	-170.4	0	0	0	0	0	112.9	V319 G827 S829 D851	A296-V319 PolarHBondContact O-N 2.89Å; A296-V319 VanDerWaalsContact O-N 3.07Å; A296-G827 WeakPolarHBondContact CB-O 3.32Å; A296-S829 VanDerWaalsContact CA-OG 3.3Å; A296-S829 WeakPolarHBondContact CA-OG 3.26Å; A296-D851 HydrophobicContact CB-CB 3.7Å; A296-D851 VanDerWaalsContact CB-CG 3.47Å; A296-D851 WeakPolarHBondContact CB-OD2 3.4Å
297	S	98.1	Very high	96.9	Very high	5 Å²	5	26 Å²	26	4%	0.035	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.4	172.4	72.4	0	0	0	0	114.1	N295 D317 G827	N295-S297 PolarHBondContact O-N 3.28Å; S297-D317 WeakPolarHBondContact CA-O 3.34Å; S297-D317 WeakPolarHBondContact CB-O 3.4Å; S297-G827 PolarHBondContact N-O 2.81Å; S297-G827 VanDerWaalsContact N-O 3.11Å; S297-G827 VanDerWaalsContact OG-C 3.28Å; S297-G827 PolarHBondContact OG-O 2.86Å
298	V	98.8	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.6	-174	-172.6	0	0	0	0	111.6	L268 V271 F294 N295 V300 H311 L313 G827 L855	L268-V298 HydrophobicContact CD2-CG1 4.46Å; V271-V298 HydrophobicContact CG2-CB 4.41Å; V271-V298 HydrophobicContact CG2-CG1 4.05Å; F294-V298 VanDerWaalsContact CA-O 3.23Å; F294-V298 WeakPolarHBondContact CA-O 3.2Å; F294-V298 WeakPolarHBondContact CB-O 3.46Å; N295-V298 PolarHBondContact N-O 3.21Å; N295-V298 PolarHBondContact O-N 3.37Å; N295-V298 VanDerWaalsContact O-O 3.07Å; V298-V300 HydrophobicContact CG1-CG2 4.19Å; V298-H311 HydrophobicContact CG1-CB 3.86Å; V298-L313 HydrophobicContact CB-CD2 4.17Å; V298-L313 HydrophobicContact CG1-CD2 3.74Å; V298-L313 HydrophobicContact CG2-CD2 3.58Å; V298-G827 VanDerWaalsContact CG2-CA 3.5Å; V298-G827 WeakPolarHBondContact CG2-O 3.34Å; V298-L855 HydrophobicContact CG2-CD2 4.22Å
299	V	98.9	Very high	97.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124	161.2	-160	0	0	0	0	108.7	V292 Y293 F294 H311 Y312 V319 T333 W353	V292-V299 HydrophobicContact CG1-CG1 3.77Å; Y293-V299 CarbonylContact O-C 3.53Å; Y293-V299 WeakPolarHBondContact O-CA 3.48Å; Y293-V299 WeakPolarHBondContact O-CG1 3.28Å; F294-V299 HydrophobicContact CB-CG1 4.49Å; V299-H311 WeakPolarHBondContact O-CA 3.39Å; V299-Y312 HydrophobicContact CG2-CD1 3.97Å; V299-Y312 PolarHBondContact N-O 3.22Å; V299-Y312 PolarHBondContact O-N 2.8Å; V299-V319 HydrophobicContact CG2-CG2 4.28Å; V299-T333 HydrophobicContact CG2-CG2 3.88Å; V299-W353 HydrophobicContact CB-CH2 4.33Å; V299-W353 HydrophobicContact CB-CZ2 3.98Å; V299-W353 HydrophobicContact CG1-CH2 4.16Å; V299-W353 HydrophobicContact CG1-CZ2 3.84Å; V299-W353 HydrophobicContact CG2-CZ2 4.11Å
300	V	98.9	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.9	-177.3	-174.8	0	0	0	0	108.9	V271 V292 Y293 V298 Q309	V271-V300 HydrophobicContact CB-CG2 3.86Å; V271-V300 HydrophobicContact CG1-CG2 4.18Å; V271-V300 HydrophobicContact CG2-CG2 4.12Å; V292-V300 WeakPolarHBondContact CA-O 3.35Å; Y293-V300 HydrophobicContact CD2-CB 4.26Å; Y293-V300 HydrophobicContact CD2-CG2 4.47Å; Y293-V300 HydrophobicContact CE1-CB 4.14Å; Y293-V300 HydrophobicContact CE1-CG1 4.03Å; Y293-V300 HydrophobicContact CE2-CB 3.87Å; Y293-V300 HydrophobicContact CE2-CG1 4.25Å; Y293-V300 HydrophobicContact CE2-CG2 3.96Å; Y293-V300 PolarHBondContact N-O 2.77Å; Y293-V300 VanDerWaalsContact N-O 3.12Å; Y293-V300 PolarHBondContact O-N 3Å; V298-V300 HydrophobicContact CG1-CG2 4.19Å; V300-Q309 HydrophobicContact CG1-CB 4.23Å; V300-Q309 VanDerWaalsContact CG1-CD 3.41Å; V300-Q309 HydrophobicContact CG1-CG 3.79Å
301	L	98.8	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	108.5	167	-53	88.9	0	0	0	106.6	L286 E290 I291 V292 Q309 R310 W353 L358	L286-L301 HydrophobicContact CD1-CD2 4.05Å; E290-L301 HydrophobicContact CB-CB 4.35Å; I291-L301 WeakPolarHBondContact O-CA 3.42Å; V292-L301 HydrophobicContact CG1-CG 4.46Å; V292-L301 HydrophobicContact CG2-CB 4.34Å; V292-L301 HydrophobicContact CG2-CD2 4.14Å; V292-L301 HydrophobicContact CG2-CG 3.98Å; L301-Q309 CarbonylContact O-C 3.46Å; L301-Q309 VanDerWaalsContact O-CA 3.31Å; L301-Q309 WeakPolarHBondContact O-CA 3.43Å; L301-R310 HydrophobicContact CB-CB 4.37Å; L301-R310 HydrophobicContact CD1-CB 4.47Å; L301-R310 WeakPolarHBondContact CD1-O 3.33Å; L301-R310 PolarHBondContact N-O 2.95Å; L301-R310 PolarHBondContact O-N 3.17Å; L301-W353 HydrophobicContact CD1-CH2 3.99Å; L301-W353 HydrophobicContact CD1-CZ3 4.15Å; L301-W353 HydrophobicContact CD2-CH2 4.35Å; L301-W353 HydrophobicContact CD2-CZ3 4.29Å; L301-W353 HydrophobicContact CG-CH2 4.43Å; L301-L358 HydrophobicContact CD1-CD2 3.83Å; L301-L358 HydrophobicContact CD2-CD2 4.3Å
302	Y	98.7	Very high	97.5	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.8	-172.5	172.8	-158.6	0	0	0	110.2	W270 E290 I291 Y293 T304 Q307 Q309 I583 V584	W270-Y302 AromaticContact CH2-CD2 3.88Å; W270-Y302 HydrophobicContact CH2-CD2 3.88Å; W270-Y302 AromaticContact CH2-CE2 3.49Å; W270-Y302 HydrophobicContact CH2-CE2 3.49Å; W270-Y302 VanDerWaalsContact CH2-CE2 3.49Å; W270-Y302 AromaticContact CH2-CZ 3.97Å; W270-Y302 HydrophobicContact CZ2-CD2 4.32Å; W270-Y302 HydrophobicContact CZ2-CE1 4.4Å; W270-Y302 AromaticContact CZ2-CE2 3.93Å; W270-Y302 HydrophobicContact CZ2-CE2 3.93Å; W270-Y302 AromaticContact CZ2-CZ 3.97Å; E290-Y302 CarbonylContact C-O 3.57Å; E290-Y302 WeakPolarHBondContact CA-O 2.92Å; I291-Y302 HydrophobicContact CD1-CD1 3.94Å; I291-Y302 HydrophobicContact CG1-CD1 4.12Å; I291-Y302 HydrophobicContact CG1-CG 4.33Å; I291-Y302 WeakPolarHBondContact CG1-O 3.12Å; I291-Y302 PolarHBondContact N-O 3.28Å; I291-Y302 PolarHBondContact O-N 2.83Å; Y293-Y302 HydrophobicContact CE1-CD1 4.33Å; Y302-T304 HydrophobicContact CD1-CG2 4.23Å; Y302-T304 HydrophobicContact CE1-CG2 4Å; Y302-T304 HydrophobicContact CE2-CG2 4.31Å; Y302-T304 HydrophobicContact CG-CG2 4.5Å; Y302-T304 PolarHBondContact O-N 3.12Å; Y302-Q307 PolarHBondContact OH-NE2 2.88Å; Y302-Q307 PolarHBondContact OH-OE1 3.34Å; Y302-Q309 HydrophobicContact CD2-CG 4.17Å; Y302-Q309 HydrophobicContact CG-CG 4.19Å; Y302-I583 HydrophobicContact CE1-CB 4.47Å; Y302-I583 WeakPolarHBondContact CE1-O 3.3Å; Y302-V584 HydrophobicContact CD1-CG2 3.77Å; Y302-V584 HydrophobicContact CE1-CG2 3.7Å
303	N	97.3	Very high	97.5	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.08	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.9	168.3	-170.5	-20.5	0	0	0	109.7	E290 E305 E306 Q307 Q308	E290-N303 HydrophobicContact CG-CB 4.06Å; N303-E305 VanDerWaalsContact C-N 3.32Å; N303-E305 PolarHBondContact O-N 3.36Å; N303-E305 PolarHBondContact OD1-N 2.92Å; N303-E306 HydrophobicContact CB-CB 4.11Å; N303-E306 VanDerWaalsContact ND2-CG 3.33Å; N303-E306 WeakPolarHBondContact ND2-CG 3.18Å; N303-E306 PolarHBondContact ND2-OE2 3.01Å; N303-E306 PolarHBondContact OD1-N 2.89Å; N303-Q307 PolarHBondContact O-N 3.11Å; N303-Q308 PolarHBondContact N-O 2.84Å; N303-Q308 PolarHBondContact O-N 2.85Å
304	T	93	Very high	97.4	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.074	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.1	-176.8	56.1	0	0	0	0	113.6	I291 Y302 Q307 F563 I583	I291-T304 HydrophobicContact CD1-CG2 4.17Å; I291-T304 HydrophobicContact CG1-CG2 4.31Å; Y302-T304 HydrophobicContact CD1-CG2 4.23Å; Y302-T304 HydrophobicContact CE1-CG2 4Å; Y302-T304 HydrophobicContact CE2-CG2 4.31Å; Y302-T304 HydrophobicContact CG-CG2 4.5Å; Y302-T304 PolarHBondContact O-N 3.12Å; T304-Q307 PolarHBondContact O-NE2 3.31Å; T304-F563 HydrophobicContact CG2-CE1 4.47Å; T304-I583 HydrophobicContact CG2-CD1 3.65Å
305	E	92.1	Very high	97.4	Very high	101 Å²	101	33.2 Å²	33.2	47%	0.472	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-34.5	177.6	-50.6	-67.2	179.4	0	0	111.4	N303 K558 R573	N303-E305 VanDerWaalsContact C-N 3.32Å; N303-E305 PolarHBondContact O-N 3.36Å; N303-E305 PolarHBondContact OD1-N 2.92Å; E305-K558 VanDerWaalsContact CG-NZ 3.32Å; E305-K558 IonicContact OE1-NZ 2.76Å; E305-K558 PolarHBondContact OE1-NZ 2.84Å; E305-R573 IonicContact OE1-CZ 3.7Å; E305-R573 IonicContact OE1-NH1 3.14Å; E305-R573 IonicContact OE1-NH2 2.88Å; E305-R573 PolarHBondContact OE1-NH2 2.8Å; E305-R573 IonicContact OE2-NH1 3.17Å
306	E	94.4	Very high	97.2	Very high	125 Å²	125	36.5 Å²	36.5	58%	0.584	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.6	178.7	-68.8	176.2	166.7	0	0	113.6	N303 Q308	N303-E306 HydrophobicContact CB-CB 4.11Å; N303-E306 VanDerWaalsContact ND2-CG 3.33Å; N303-E306 WeakPolarHBondContact ND2-CG 3.18Å; N303-E306 PolarHBondContact ND2-OE2 3.01Å; N303-E306 PolarHBondContact OD1-N 2.89Å; E306-Q308 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 2.82Å
307	Q	95.4	Very high	97.1	Very high	80 Å²	80	37.8 Å²	37.8	37%	0.374	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	47.9	-172.5	-66.8	-64.1	-62.1	0	0	112.3	W270 Y302 N303 T304	W270-Q307 WeakPolarHBondContact CZ3-O 3.39Å; Y302-Q307 PolarHBondContact OH-NE2 2.88Å; Y302-Q307 PolarHBondContact OH-OE1 3.34Å; N303-Q307 PolarHBondContact O-N 3.11Å; T304-Q307 PolarHBondContact O-NE2 3.31Å
308	Q	96.9	Very high	97.1	Very high	126 Å²	126	38.8 Å²	38.8	59%	0.589	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.5	179.7	-70.2	-175.5	25.6	0	0	111.9	N303 E306	N303-Q308 PolarHBondContact N-O 2.84Å; N303-Q308 PolarHBondContact O-N 2.85Å; E306-Q308 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 2.82Å
309	Q	98.5	Very high	97.1	Very high	19 Å²	19	38.8 Å²	38.8	9%	0.089	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.9	170.9	-69.3	-175	4	0	0	111.9	W270 V271 Y293 V300 L301 Y302 H311	W270-Q309 HydrophobicContact CD2-CG 3.86Å; W270-Q309 HydrophobicContact CE3-CB 4.1Å; W270-Q309 HydrophobicContact CE3-CG 3.64Å; W270-Q309 HydrophobicContact CH2-CG 3.98Å; W270-Q309 HydrophobicContact CZ2-CG 4.13Å; W270-Q309 HydrophobicContact CZ3-CB 4.34Å; W270-Q309 HydrophobicContact CZ3-CG 3.73Å; V271-Q309 PolarHBondContact O-NE2 2.8Å; Y293-Q309 PolarHBondContact OH-NE2 3.45Å; V300-Q309 HydrophobicContact CG1-CB 4.23Å; V300-Q309 VanDerWaalsContact CG1-CD 3.41Å; V300-Q309 HydrophobicContact CG1-CG 3.79Å; L301-Q309 CarbonylContact O-C 3.46Å; L301-Q309 VanDerWaalsContact O-CA 3.31Å; L301-Q309 WeakPolarHBondContact O-CA 3.43Å; Y302-Q309 HydrophobicContact CD2-CG 4.17Å; Y302-Q309 HydrophobicContact CG-CG 4.19Å; Q309-H311 WeakPolarHBondContact CB-NE2 3.47Å; Q309-H311 PolarHBondContact OE1-NE2 2.89Å
310	R	98.4	Very high	97.1	Very high	71 Å²	71	41 Å²	41	27%	0.268	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.9	161	-55.4	-171.9	-64.1	127.6	1.7	108.9	E290 L301 S355 V356 L358	E290-R310 IonicContact OE1-CZ 3.65Å; E290-R310 IonicContact OE1-NE 2.83Å; E290-R310 PolarHBondContact OE1-NE 2.87Å; E290-R310 IonicContact OE1-NH2 3.79Å; E290-R310 PolarHBondContact OE1-NH2 2.81Å; E290-R310 IonicContact OE2-CZ 3.37Å; E290-R310 IonicContact OE2-NH2 3.93Å; E290-R310 PolarHBondContact OE2-NH2 3.16Å; L301-R310 HydrophobicContact CB-CB 4.37Å; L301-R310 HydrophobicContact CD1-CB 4.47Å; L301-R310 WeakPolarHBondContact CD1-O 3.33Å; L301-R310 PolarHBondContact N-O 2.95Å; L301-R310 PolarHBondContact O-N 3.17Å; R310-S355 VanDerWaalsContact CZ-O 3.32Å; R310-S355 PolarHBondContact NH1-O 2.67Å; R310-S355 PolarHBondContact NH2-O 3.11Å; R310-V356 PolarHBondContact NH1-O 3.07Å; R310-L358 HydrophobicContact CB-CD1 4.17Å
311	H	98.8	Very high	97	Very high	24 Å²	24	41.2 Å²	41.2	11%	0.111	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.3	-169	-48.7	89.3	0	0	0	111.3	L268 Q269 V298 V299 Q309 L313	L268-H311 HydrophobicContact CD2-CB 3.89Å; Q269-H311 PolarHBondContact O-CE1 2.84Å; V298-H311 HydrophobicContact CG1-CB 3.86Å; V299-H311 WeakPolarHBondContact O-CA 3.39Å; Q309-H311 WeakPolarHBondContact CB-NE2 3.47Å; Q309-H311 PolarHBondContact OE1-NE2 2.89Å; H311-L313 HydrophobicContact CB-CD2 4.16Å; H311-L313 HydrophobicContact CB-CG 4.23Å
312	Y	98.8	Very high	97	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.2	166.4	176.7	-102.5	0	0	0	109.3	V299 H315 R351 W353 L358 T360	V299-Y312 HydrophobicContact CG2-CD1 3.97Å; V299-Y312 PolarHBondContact N-O 3.22Å; V299-Y312 PolarHBondContact O-N 2.8Å; Y312-H315 AromaticContact CE1-CD2 3.93Å; Y312-R351 WeakPolarHBondContact OH-CD 3.43Å; Y312-W353 AromaticContact CD1-CD2 3.92Å; Y312-W353 HydrophobicContact CD1-CD2 3.92Å; Y312-W353 AromaticContact CD1-CE2 3.67Å; Y312-W353 HydrophobicContact CD1-CG 4.15Å; Y312-W353 HydrophobicContact CD1-CZ2 4.09Å; Y312-W353 AromaticContact CD1-NE1 3.72Å; Y312-W353 HydrophobicContact CD2-CB 4.18Å; Y312-W353 AromaticContact CD2-CD2 3.72Å; Y312-W353 HydrophobicContact CD2-CD2 3.72Å; Y312-W353 AromaticContact CD2-CE3 3.77Å; Y312-W353 HydrophobicContact CD2-CE3 3.77Å; Y312-W353 AromaticContact CD2-CG 3.93Å; Y312-W353 HydrophobicContact CD2-CG 3.93Å; Y312-W353 HydrophobicContact CD2-CZ3 4.38Å; Y312-W353 HydrophobicContact CE1-CB 4.48Å; Y312-W353 AromaticContact CE1-CD1 3.53Å; Y312-W353 HydrophobicContact CE1-CD2 4.12Å; Y312-W353 AromaticContact CE1-CG 3.84Å; Y312-W353 HydrophobicContact CE1-CG 3.84Å; Y312-W353 AromaticContact CE1-NE1 3.62Å; Y312-W353 HydrophobicContact CE2-CB 3.54Å; Y312-W353 AromaticContact CE2-CD2 3.94Å; Y312-W353 HydrophobicContact CE2-CD2 3.94Å; Y312-W353 HydrophobicContact CE2-CE3 4.33Å; Y312-W353 AromaticContact CE2-CG 3.61Å; Y312-W353 HydrophobicContact CE2-CG 3.61Å; Y312-W353 AromaticContact CG-CD2 3.7Å; Y312-W353 HydrophobicContact CG-CD2 3.7Å; Y312-W353 AromaticContact CG-CE2 3.81Å; Y312-W353 AromaticContact CG-CE3 3.86Å; Y312-W353 HydrophobicContact CG-CE3 3.86Å; Y312-W353 HydrophobicContact CG-CG 4.18Å; Y312-W353 HydrophobicContact CG-CH2 4.26Å; Y312-W353 HydrophobicContact CG-CZ2 4.11Å; Y312-W353 HydrophobicContact CG-CZ3 4.14Å; Y312-W353 AromaticContact CZ-CD1 3.58Å; Y312-W353 AromaticContact CZ-CG 3.54Å; Y312-L358 WeakPolarHBondContact CD2-O 3.43Å; Y312-L358 WeakPolarHBondContact CE2-O 3.3Å; Y312-T360 PolarHBondContact OH-OG1 2.99Å
313	L	98.3	Very high	97	Very high	84 Å²	84	41.6 Å²	41.6	44%	0.44	20%	0.204	S	C	.	.			trans	-104.8	28	-175.1	-57.9	176.7	0	0	0	112.3	L268 V298 H311	L268-L313 HydrophobicContact CD2-CD1 4.37Å; L268-L313 HydrophobicContact CD2-CD2 3.9Å; V298-L313 HydrophobicContact CB-CD2 4.17Å; V298-L313 HydrophobicContact CG1-CD2 3.74Å; V298-L313 HydrophobicContact CG2-CD2 3.58Å; H311-L313 HydrophobicContact CB-CD2 4.16Å; H311-L313 HydrophobicContact CB-CG 4.23Å
314	G	97.3	Very high	97	Very high	19 Å²	19	41.4 Å²	41.4	20%	0.196	20%	0.204	C	C	.	.			trans	-73.3	-27.3	-176.5	0	0	0	0	0	114.1	R351	G314-R351 PolarHBondContact O-NE 2.99Å; G314-R351 PolarHBondContact O-NH1 2.92Å; G314-R351 VanDerWaalsContact O-NH1 3.16Å; G314-R351 PolarHBondContact O-NH2 3.19Å; G314-R351 VanDerWaalsContact O-NH2 3.12Å
315	H	97.8	Very high	97.3	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.051	20%	0.203	C	C	.	.			trans	-78	156.4	-178.8	-71.8	-74.3	0	0	0	112.1	Y312 V319 T333 Q335	Y312-H315 AromaticContact CE1-CD2 3.93Å; H315-V319 HydrophobicContact CB-CG2 4.08Å; H315-T333 PolarHBondContact CE1-O 3.46Å; H315-T333 VanDerWaalsContact NE2-CB 3.34Å; H315-T333 WeakPolarHBondContact NE2-CB 3.5Å; H315-T333 PolarHBondContact NE2-OG1 2.95Å; H315-Q335 PolarHBondContact ND1-OE1 2.83Å
316	N	94.1	Very high	97.6	Very high	69 Å²	69	38.8 Å²	38.8	37%	0.369	19%	0.194	S	C	.	.	S	Bend	trans	-118.3	4.5	-179.1	59	16.6	0	0	0	113.6	Q335	N316-Q335 PolarHBondContact OD1-NE2 3.27Å; N316-Q335 PolarHBondContact OD1-OE1 2.99Å
317	D	96.6	Very high	97.7	Very high	26 Å²	26	36.4 Å²	36.4	14%	0.139	19%	0.185	C	C	.	.	S	Bend	trans	-159.7	-178.3	175	-147.5	-53	0	0	0	108.7	S297 V319 V336 G338	S297-D317 WeakPolarHBondContact CA-O 3.34Å; S297-D317 WeakPolarHBondContact CB-O 3.4Å; D317-V319 PolarHBondContact O-N 2.92Å; D317-V336 HydrophobicContact CB-CG2 3.6Å; D317-V336 WeakPolarHBondContact OD1-CG2 3.36Å; D317-G338 WeakPolarHBondContact OD2-CA 3.43Å
318	D	97.7	Very high	97.8	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	19%	0.19	C	C	.	.			trans	-41.7	119.9	-179	-88	-15.4	0	0	0	113.9	R275 K320 Q335 V336 S829	R275-D318 IonicContact CZ-OD1 3.78Å; R275-D318 IonicContact CZ-OD2 2.84Å; R275-D318 VanDerWaalsContact CZ-OD2 3.29Å; R275-D318 IonicContact NH1-OD1 3.74Å; R275-D318 PolarHBondContact NH1-OD1 3.41Å; R275-D318 IonicContact NH1-OD2 2.72Å; R275-D318 PolarHBondContact NH1-OD2 3.18Å; R275-D318 IonicContact NH2-OD1 2.67Å; R275-D318 IonicContact NH2-OD2 3.83Å; R275-D318 PolarHBondContact NH2-OD2 2.98Å; D318-K320 IonicContact OD2-NZ 2.79Å; D318-Q335 CarbonylContact O-C 3.53Å; D318-Q335 WeakPolarHBondContact O-CA 3.38Å; D318-Q335 VanDerWaalsContact O-CB 3.3Å; D318-Q335 WeakPolarHBondContact O-CB 3.43Å; D318-V336 HydrophobicContact CB-CB 4.34Å; D318-V336 HydrophobicContact CB-CG1 3.72Å; D318-V336 HydrophobicContact CB-CG2 3.67Å; D318-V336 PolarHBondContact O-N 2.67Å; D318-S829 VanDerWaalsContact OD1-CB 3.25Å; D318-S829 WeakPolarHBondContact OD1-CB 3.46Å; D318-S829 PolarHBondContact OD1-OG 2.98Å
319	V	98.6	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.2	163.3	-174.3	0	0	0	0	108.6	F294 A296 V299 H315 D317 T333	F294-V319 HydrophobicContact CB-CB 4.02Å; F294-V319 HydrophobicContact CB-CG1 4.06Å; F294-V319 HydrophobicContact CD1-CB 4.2Å; F294-V319 HydrophobicContact CD1-CG1 3.46Å; F294-V319 VanDerWaalsContact CD1-CG1 3.46Å; F294-V319 HydrophobicContact CD2-CB 3.97Å; F294-V319 HydrophobicContact CD2-CG1 4.1Å; F294-V319 WeakPolarHBondContact CD2-O 3.47Å; F294-V319 HydrophobicContact CE1-CG1 3.8Å; F294-V319 HydrophobicContact CE2-CB 4.48Å; F294-V319 HydrophobicContact CE2-CG1 4.41Å; F294-V319 WeakPolarHBondContact CE2-O 3.45Å; F294-V319 HydrophobicContact CG-CB 3.82Å; F294-V319 HydrophobicContact CG-CG1 3.62Å; F294-V319 HydrophobicContact CZ-CG1 4.28Å; A296-V319 PolarHBondContact O-N 2.89Å; A296-V319 VanDerWaalsContact O-N 3.07Å; V299-V319 HydrophobicContact CG2-CG2 4.28Å; H315-V319 HydrophobicContact CB-CG2 4.08Å; D317-V319 PolarHBondContact O-N 2.92Å; V319-T333 HydrophobicContact CG1-CG2 4.26Å
320	K	97.8	Very high	97.8	Very high	46 Å²	46	33 Å²	33	20%	0.2	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-23.8	-177	-73.1	-64.1	-172.9	180	0	114.4	D278 F294 D318 G334 V336 V373	D278-K320 IonicContact OD2-NZ 2.8Å; D278-K320 PolarHBondContact OD2-NZ 2.75Å; F294-K320 VanDerWaalsContact CZ-C 3.48Å; D318-K320 IonicContact OD2-NZ 2.79Å; K320-G334 PolarHBondContact N-O 2.9Å; K320-V336 HydrophobicContact CD-CG1 4.16Å; K320-V336 VanDerWaalsContact CE-CG1 3.49Å; K320-V336 HydrophobicContact CG-CG1 3.52Å; K320-V373 WeakPolarHBondContact CB-O 3.34Å
321	C	98.3	Very high	97.8	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.034	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.9	177.8	57.6	0	0	0	0	112.6	T333 G334 V373 T374 V376	C321-T333 VanDerWaalsContact O-CA 3.29Å; C321-T333 WeakPolarHBondContact O-CA 3.32Å; C321-G334 PolarHBondContact N-O 2.84Å; C321-G334 PolarHBondContact O-N 3.01Å; C321-V373 PolarHBondContact SG-O 2.95Å; C321-T374 WeakPolarHBondContact CB-O 3.42Å; C321-V376 HydrophobicContact CB-CG2 4.06Å
322	L	98.4	Very high	97.8	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	140.7	-171.8	170	65.3	0	0	0	109.1	Y284 V292 F294 I331 A332 T333	Y284-L322 HydrophobicContact CD2-CD2 3.65Å; Y284-L322 HydrophobicContact CD2-CG 3.87Å; Y284-L322 HydrophobicContact CE2-CB 4.36Å; Y284-L322 HydrophobicContact CE2-CD2 4.01Å; Y284-L322 HydrophobicContact CE2-CG 3.84Å; V292-L322 HydrophobicContact CG1-CD1 4.41Å; V292-L322 HydrophobicContact CG1-CD2 4.04Å; F294-L322 HydrophobicContact CD1-CB 4.04Å; F294-L322 HydrophobicContact CD1-CD2 4.41Å; F294-L322 HydrophobicContact CE1-CB 3.8Å; L322-I331 HydrophobicContact CD1-CG2 3.31Å; L322-A332 CarbonylContact C-O 3.59Å; L322-A332 WeakPolarHBondContact CA-O 3.2Å; L322-T333 HydrophobicContact CB-CG2 4.15Å; L322-T333 HydrophobicContact CD1-CG2 3.39Å; L322-T333 HydrophobicContact CG-CG2 4.36Å
323	S	98.4	Very high	97.8	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.8	169.6	-158.6	0	0	0	0	111.7	A332 V376	S323-A332 PolarHBondContact N-O 3.26Å; S323-A332 PolarHBondContact O-N 3.07Å; S323-V376 WeakPolarHBondContact CB-O 3.43Å
324	V	98.4	Very high	97.8	Very high	11 Å²	11	24.2 Å²	24.2	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.5	174.8	-173.8	0	0	0	0	109.8	Y284 L286 M328 K380	Y284-V324 HydrophobicContact CD1-CG2 4.14Å; Y284-V324 HydrophobicContact CD2-CG2 4.18Å; Y284-V324 HydrophobicContact CG-CG2 3.81Å; L286-V324 HydrophobicContact CD2-CG1 3.96Å; L286-V324 HydrophobicContact CD2-CG2 4.28Å; V324-M328 HydrophobicContact CG1-SD 4.16Å; V324-K380 PolarHBondContact O-NZ 2.89Å
325	H	98.6	Very high	97.9	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.06	13%	0.125	C	C	.	.			trans	-71.4	157.1	177.5	-176.1	-105.8	0	0	0	111.2	D327 M328 T330 F378 G383 G384 W403	H325-D327 WeakPolarHBondContact CB-OD1 3.42Å; H325-D327 IonicContact CE1-OD2 3.42Å; H325-D327 IonicContact CG-OD1 3.47Å; H325-D327 IonicContact CG-OD2 3.95Å; H325-D327 PolarHBondContact ND1-N 3.48Å; H325-D327 IonicContact ND1-OD1 2.65Å; H325-D327 PolarHBondContact ND1-OD1 2.93Å; H325-D327 IonicContact ND1-OD2 3.94Å; H325-D327 PolarHBondContact ND1-OD2 3.4Å; H325-D327 PolarHBondContact O-N 3.49Å; H325-D327 VanDerWaalsContact O-N 3.12Å; H325-M328 PolarHBondContact O-N 2.73Å; H325-T330 HydrophobicContact CB-CG2 4.19Å; H325-T330 WeakPolarHBondContact CB-O 3.43Å; H325-T330 PolarHBondContact N-O 3.37Å; H325-F378 VanDerWaalsContact CA-CD2 3.46Å; H325-F378 HydrophobicContact CB-CD1 4.49Å; H325-F378 HydrophobicContact CB-CD2 3.77Å; H325-F378 HydrophobicContact CB-CE1 4.43Å; H325-F378 HydrophobicContact CB-CE2 3.69Å; H325-F378 HydrophobicContact CB-CG 4.14Å; H325-F378 HydrophobicContact CB-CZ 4.02Å; H325-F378 AromaticContact CD2-CD1 3.53Å; H325-F378 AromaticContact CD2-CE1 3.69Å; H325-F378 AromaticContact CD2-CG 3.83Å; H325-G383 PolarHBondContact CE1-O 2.99Å; H325-G383 PolarHBondContact NE2-O 2.66Å; H325-G384 VanDerWaalsContact NE2-CA 3.34Å; H325-G384 WeakPolarHBondContact NE2-CA 3.27Å; H325-G384 PolarHBondContact NE2-O 3.47Å; H325-W403 AromaticContact CD2-CZ2 3.95Å; H325-W403 AromaticContact NE2-CZ2 3.63Å
326	P	97.7	Very high	97.8	Very high	44 Å²	44	23.6 Å²	23.6	29%	0.286	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.3	179.6	-27.5	37.7	0	0	0	116.5	M328 S379 K380	P326-M328 PolarHBondContact O-N 2.87Å; P326-S379 WeakPolarHBondContact CG-O 3.46Å; P326-K380 HydrophobicContact CG-CD 3.77Å
327	D	97.3	Very high	97.9	Very high	75 Å²	75	22.2 Å²	22.2	40%	0.401	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.7	172.4	65.2	6.8	0	0	0	113.5	H325 V329 T330	H325-D327 WeakPolarHBondContact CB-OD1 3.42Å; H325-D327 IonicContact CE1-OD2 3.42Å; H325-D327 IonicContact CG-OD1 3.47Å; H325-D327 IonicContact CG-OD2 3.95Å; H325-D327 PolarHBondContact ND1-N 3.48Å; H325-D327 IonicContact ND1-OD1 2.65Å; H325-D327 PolarHBondContact ND1-OD1 2.93Å; H325-D327 IonicContact ND1-OD2 3.94Å; H325-D327 PolarHBondContact ND1-OD2 3.4Å; H325-D327 PolarHBondContact O-N 3.49Å; H325-D327 VanDerWaalsContact O-N 3.12Å; D327-V329 PolarHBondContact O-N 2.95Å; D327-V329 PolarHBondContact OD1-N 2.8Å; D327-T330 PolarHBondContact OD1-N 2.95Å; D327-T330 WeakPolarHBondContact OD2-CB 3.32Å; D327-T330 PolarHBondContact OD2-OG1 3.43Å
328	M	96.4	Very high	97.7	Very high	95 Å²	95	21 Å²	21	47%	0.468	12%	0.12	S	C	.	.	S	Bend	trans	60	20.9	-175.9	-52.2	-64.2	-176.6	0	0	115	P287 V324 H325 P326	P287-M328 HydrophobicContact CG-CB 3.5Å; P287-M328 VanDerWaalsContact CG-CB 3.5Å; P287-M328 HydrophobicContact CG-CG 4.08Å; V324-M328 HydrophobicContact CG1-SD 4.16Å; H325-M328 PolarHBondContact O-N 2.73Å; P326-M328 PolarHBondContact O-N 2.87Å
329	V	97.6	Very high	97.2	Very high	47 Å²	47	24.8 Å²	24.8	29%	0.285	14%	0.14	S	C	.	.	S	Bend	trans	-127.6	-43	179.1	176.2	0	0	0	0	111.2	D327 D354 S355 V356	D327-V329 PolarHBondContact O-N 2.95Å; D327-V329 PolarHBondContact OD1-N 2.8Å; V329-D354 VanDerWaalsContact CG1-OD1 3.28Å; V329-D354 WeakPolarHBondContact CG1-OD1 3.47Å; V329-S355 VanDerWaalsContact O-CB 3.22Å; V329-S355 WeakPolarHBondContact O-CB 2.93Å; V329-S355 PolarHBondContact O-N 2.66Å; V329-S355 PolarHBondContact O-OG 2.97Å; V329-S355 VanDerWaalsContact O-OG 3.05Å; V329-V356 HydrophobicContact CG1-CG2 4.05Å
330	T	98.7	Very high	96.5	Very high	11 Å²	11	26.2 Å²	26.2	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.6	177.9	-55.9	0	0	0	0	109.8	H325 D327 I352 L361 F378 W403	H325-T330 HydrophobicContact CB-CG2 4.19Å; H325-T330 WeakPolarHBondContact CB-O 3.43Å; H325-T330 PolarHBondContact N-O 3.37Å; D327-T330 PolarHBondContact OD1-N 2.95Å; D327-T330 WeakPolarHBondContact OD2-CB 3.32Å; D327-T330 PolarHBondContact OD2-OG1 3.43Å; T330-I352 HydrophobicContact CG2-CG2 3.41Å; T330-I352 VanDerWaalsContact CG2-CG2 3.41Å; T330-L361 HydrophobicContact CG2-CD1 4.29Å; T330-F378 HydrophobicContact CG2-CZ 4.22Å; T330-W403 HydrophobicContact CG2-CH2 3.94Å; T330-W403 HydrophobicContact CG2-CZ2 4.37Å; T330-W403 HydrophobicContact CG2-CZ3 4.36Å
331	I	98.8	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.4	-178.8	-61.3	-178.8	0	0	0	109.5	L286 V292 L322 T333 I352 W353	L286-I331 HydrophobicContact CD1-CD1 4.34Å; L286-I331 HydrophobicContact CD2-CD1 4.39Å; V292-I331 HydrophobicContact CG1-CD1 4.32Å; L322-I331 HydrophobicContact CD1-CG2 3.31Å; I331-T333 HydrophobicContact CG2-CG2 4.28Å; I331-I352 CarbonylContact O-C 3.51Å; I331-I352 VanDerWaalsContact O-CA 3.3Å; I331-I352 WeakPolarHBondContact O-CA 3.47Å; I331-W353 HydrophobicContact CB-CD2 4.1Å; I331-W353 HydrophobicContact CB-CH2 4.29Å; I331-W353 HydrophobicContact CB-CZ2 3.83Å; I331-W353 HydrophobicContact CD1-CH2 3.69Å; I331-W353 HydrophobicContact CD1-CZ2 4.01Å; I331-W353 HydrophobicContact CD1-CZ3 4.1Å; I331-W353 HydrophobicContact CG2-CD2 4.46Å; I331-W353 HydrophobicContact CG2-CH2 4.24Å; I331-W353 HydrophobicContact CG2-CZ2 3.46Å; I331-W353 VanDerWaalsContact CG2-CZ2 3.46Å; I331-W353 PolarHBondContact N-O 2.93Å; I331-W353 PolarHBondContact O-N 3.28Å
332	A	98.8	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.2	170.4	0	0	0	0	0	110.5	L322 S323 V350 R351 I352 F378 L387	L322-A332 CarbonylContact C-O 3.59Å; L322-A332 WeakPolarHBondContact CA-O 3.2Å; S323-A332 PolarHBondContact N-O 3.26Å; S323-A332 PolarHBondContact O-N 3.07Å; A332-V350 HydrophobicContact CB-CG1 4.26Å; A332-R351 CarbonylContact C-O 3.51Å; A332-R351 VanDerWaalsContact CA-O 3.29Å; A332-R351 WeakPolarHBondContact CA-O 3.49Å; A332-I352 HydrophobicContact CB-CG1 4.13Å; A332-F378 HydrophobicContact CB-CD2 4.42Å; A332-F378 HydrophobicContact CB-CE1 4.46Å; A332-F378 HydrophobicContact CB-CE2 3.48Å; A332-F378 VanDerWaalsContact CB-CE2 3.48Å; A332-F378 HydrophobicContact CB-CZ 3.53Å; A332-L387 HydrophobicContact CB-CD1 3.88Å; A332-L387 HydrophobicContact CB-CD2 3.95Å
333	T	98.9	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.7	176.9	41	0	0	0	0	111.7	V299 H315 V319 C321 L322 I331 V350 R351 W353	V299-T333 HydrophobicContact CG2-CG2 3.88Å; H315-T333 PolarHBondContact CE1-O 3.46Å; H315-T333 VanDerWaalsContact NE2-CB 3.34Å; H315-T333 WeakPolarHBondContact NE2-CB 3.5Å; H315-T333 PolarHBondContact NE2-OG1 2.95Å; V319-T333 HydrophobicContact CG1-CG2 4.26Å; C321-T333 VanDerWaalsContact O-CA 3.29Å; C321-T333 WeakPolarHBondContact O-CA 3.32Å; L322-T333 HydrophobicContact CB-CG2 4.15Å; L322-T333 HydrophobicContact CD1-CG2 3.39Å; L322-T333 HydrophobicContact CG-CG2 4.36Å; I331-T333 HydrophobicContact CG2-CG2 4.28Å; T333-V350 CarbonylContact O-C 3.59Å; T333-V350 WeakPolarHBondContact O-CA 3.35Å; T333-R351 PolarHBondContact N-O 3.29Å; T333-R351 PolarHBondContact O-N 2.76Å; T333-W353 PolarHBondContact OG1-NE1 2.89Å
334	G	98.4	Very high	93.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.4	178.9	0	0	0	0	0	111.8	K320 C321	K320-G334 PolarHBondContact N-O 2.9Å; C321-G334 PolarHBondContact N-O 2.84Å; C321-G334 PolarHBondContact O-N 3.01Å
335	Q	97.9	Very high	93	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	170.5	-177.4	61.9	162	78.3	0	0	114	H315 N316 D318 P348 H349 V373	H315-Q335 PolarHBondContact ND1-OE1 2.83Å; N316-Q335 PolarHBondContact OD1-NE2 3.27Å; N316-Q335 PolarHBondContact OD1-OE1 2.99Å; D318-Q335 CarbonylContact O-C 3.53Å; D318-Q335 WeakPolarHBondContact O-CA 3.38Å; D318-Q335 VanDerWaalsContact O-CB 3.3Å; D318-Q335 WeakPolarHBondContact O-CB 3.43Å; Q335-P348 WeakPolarHBondContact O-CB 3.28Å; Q335-H349 PolarHBondContact N-O 3.01Å; Q335-H349 PolarHBondContact NE2-CE1 3.16Å; Q335-H349 PolarHBondContact OE1-CE1 3.01Å; Q335-H349 PolarHBondContact OE1-NE2 2.85Å; Q335-V373 PolarHBondContact O-N 2.89Å
336	V	97.4	Very high	92.7	Very high	18 Å²	18	51.6 Å²	51.6	11%	0.109	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-71.4	167.1	167.2	-54.4	0	0	0	0	112.8	D317 D318 K320 A372	D317-V336 HydrophobicContact CB-CG2 3.6Å; D317-V336 WeakPolarHBondContact OD1-CG2 3.36Å; D318-V336 HydrophobicContact CB-CB 4.34Å; D318-V336 HydrophobicContact CB-CG1 3.72Å; D318-V336 HydrophobicContact CB-CG2 3.67Å; D318-V336 PolarHBondContact O-N 2.67Å; K320-V336 HydrophobicContact CD-CG1 4.16Å; K320-V336 VanDerWaalsContact CE-CG1 3.49Å; K320-V336 HydrophobicContact CG-CG1 3.52Å; V336-A372 HydrophobicContact CB-CB 4.18Å; V336-A372 HydrophobicContact CG1-CB 3.95Å
337	A	96	Very high	92.6	Very high	40 Å²	40	51 Å²	51	33%	0.331	29%	0.285	S	S	.	.			trans	-73.3	136	158.7	0	0	0	0	0	108.9	L346 P348 R371	A337-L346 CarbonylContact C-O 3.57Å; A337-L346 VanDerWaalsContact CA-O 3.25Å; A337-L346 WeakPolarHBondContact CA-O 3.3Å; A337-P348 HydrophobicContact CB-CB 4.44Å; A337-P348 HydrophobicContact CB-CG 4.15Å; A337-R371 WeakPolarHBondContact CB-O 3.23Å; A337-R371 PolarHBondContact N-O 3.46Å
338	G	90.9	Very high	92.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-175	-174.2	0	0	0	0	0	114.2	D317 L345 L346	D317-G338 WeakPolarHBondContact OD2-CA 3.43Å; G338-L345 CarbonylContact O-C 3.52Å; G338-L345 WeakPolarHBondContact O-CA 3.15Å; G338-L346 PolarHBondContact N-O 3.12Å; G338-L346 PolarHBondContact O-N 3.06Å
339	N	87.6	Confident	92.7	Very high	105 Å²	105	43.4 Å²	43.4	56%	0.561	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127	128.8	177.7	-76.8	79.9	0	0	0	110.6
340	S	83.8	Confident	92.8	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	23%	0.233	C	C	.	.			trans	-76.7	162	167.5	82.1	0	0	0	0	111.2	D342 G343 K344	S340-D342 PolarHBondContact O-N 3.46Å; S340-D342 VanDerWaalsContact O-N 3.07Å; S340-D342 PolarHBondContact OG-N 2.84Å; S340-G343 WeakPolarHBondContact O-CA 3.44Å; S340-G343 PolarHBondContact O-N 3.39Å; S340-K344 PolarHBondContact N-O 3.01Å; S340-K344 WeakPolarHBondContact OG-CB 3.36Å; S340-K344 PolarHBondContact OG-N 3.17Å
341	K	80.1	Confident	92.8	Very high	135 Å²	135	42.8 Å²	42.8	59%	0.587	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.7	170.9	64	-173.3	175.9	-166.8	0	114.9	G343 F805 E824	K341-G343 PolarHBondContact O-N 3.44Å; K341-F805 HydrophobicContact CB-CD1 3.99Å; K341-F805 HydrophobicContact CB-CD2 4.13Å; K341-F805 HydrophobicContact CB-CE1 4.18Å; K341-F805 HydrophobicContact CB-CE2 4.31Å; K341-F805 HydrophobicContact CB-CG 3.96Å; K341-F805 HydrophobicContact CB-CZ 4.34Å; K341-E824 IonicContact NZ-OE2 2.72Å; K341-E824 PolarHBondContact NZ-OE2 3.21Å
342	D	81.8	Confident	92.8	Very high	109 Å²	109	42.8 Å²	42.8	58%	0.583	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	4	173.8	-57.7	-20.1	0	0	0	113.4	S340 K344	S340-D342 PolarHBondContact O-N 3.46Å; S340-D342 VanDerWaalsContact O-N 3.07Å; S340-D342 PolarHBondContact OG-N 2.84Å; D342-K344 HydrophobicContact CB-CD 4.02Å; D342-K344 HydrophobicContact CB-CG 4.07Å; D342-K344 PolarHBondContact O-N 2.82Å; D342-K344 WeakPolarHBondContact OD2-CE 3.21Å; D342-K344 IonicContact OD2-NZ 3.52Å; D342-K344 PolarHBondContact OD2-NZ 2.81Å
343	G	80.1	Confident	92.8	Very high	54 Å²	54	42.8 Å²	42.8	56%	0.557	24%	0.238	S	C	*	.	S	Bend	trans	71.7	9	-171.2	0	0	0	0	0	114.8	S340 K341	S340-G343 WeakPolarHBondContact O-CA 3.44Å; S340-G343 PolarHBondContact O-N 3.39Å; K341-G343 PolarHBondContact O-N 3.44Å
344	K	87.9	Confident	92.8	Very high	127 Å²	127	44.4 Å²	44.4	55%	0.552	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-77.3	133.3	179.2	-62.5	165.2	-173.6	152.8	0	109.9	S340 D342 L346	S340-K344 PolarHBondContact N-O 3.01Å; S340-K344 WeakPolarHBondContact OG-CB 3.36Å; S340-K344 PolarHBondContact OG-N 3.17Å; D342-K344 HydrophobicContact CB-CD 4.02Å; D342-K344 HydrophobicContact CB-CG 4.07Å; D342-K344 PolarHBondContact O-N 2.82Å; D342-K344 WeakPolarHBondContact OD2-CE 3.21Å; D342-K344 IonicContact OD2-NZ 3.52Å; D342-K344 PolarHBondContact OD2-NZ 2.81Å; K344-L346 PolarHBondContact O-N 2.99Å
345	L	88.9	Confident	92.8	Very high	143 Å²	143	44.5 Å²	44.5	75%	0.749	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.2	172.8	-66.6	169.6	0	0	0	110.7	G338	G338-L345 CarbonylContact O-C 3.52Å; G338-L345 WeakPolarHBondContact O-CA 3.15Å
346	L	92.4	Very high	92.8	Very high	51 Å²	51	49 Å²	49	27%	0.267	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.7	173.8	-58.6	177.7	0	0	0	108.3	A337 G338 K344	A337-L346 CarbonylContact C-O 3.57Å; A337-L346 VanDerWaalsContact CA-O 3.25Å; A337-L346 WeakPolarHBondContact CA-O 3.3Å; G338-L346 PolarHBondContact N-O 3.12Å; G338-L346 PolarHBondContact O-N 3.06Å; K344-L346 PolarHBondContact O-N 2.99Å
347	A	95.4	Very high	92.8	Very high	32 Å²	32	51 Å²	51	26%	0.264	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-70.6	141.7	-176.3	0	0	0	0	0	112.1	H349	A347-H349 PolarHBondContact O-ND1 2.79Å; A347-H349 VanDerWaalsContact O-ND1 3.12Å
348	P	97.8	Very high	92.9	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.039	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65.5	145	170.4	27.1	-26.4	0	0	0	109.2	Q335 A337 F369 V373	Q335-P348 WeakPolarHBondContact O-CB 3.28Å; A337-P348 HydrophobicContact CB-CB 4.44Å; A337-P348 HydrophobicContact CB-CG 4.15Å; P348-F369 HydrophobicContact CB-CB 4.39Å; P348-F369 HydrophobicContact CG-CB 3.97Å; P348-F369 WeakPolarHBondContact CG-O 3.5Å; P348-V373 HydrophobicContact CB-CG2 4.49Å
349	H	98.4	Very high	93.2	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.014	31%	0.309	C	S	.	.			trans	-155.6	167	-175.8	60.7	-87	0	0	0	111.3	Q335 A347 R351 V363 M366	Q335-H349 PolarHBondContact N-O 3.01Å; Q335-H349 PolarHBondContact NE2-CE1 3.16Å; Q335-H349 PolarHBondContact OE1-CE1 3.01Å; Q335-H349 PolarHBondContact OE1-NE2 2.85Å; A347-H349 PolarHBondContact O-ND1 2.79Å; A347-H349 VanDerWaalsContact O-ND1 3.12Å; H349-R351 PolarHBondContact NE2-NE 3.44Å; H349-V363 HydrophobicContact CB-CG1 4.41Å; H349-M366 HydrophobicContact CB-CG 4.28Å; H349-M366 HydrophobicContact CB-SD 3.58Å; H349-M366 VanDerWaalsContact CB-SD 3.58Å
350	V	98.8	Very high	93.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.2	170.8	178.4	0	0	0	0	109.2	A332 T333 I352 I364 F369 V373 V376 L387 A389	A332-V350 HydrophobicContact CB-CG1 4.26Å; T333-V350 CarbonylContact O-C 3.59Å; T333-V350 WeakPolarHBondContact O-CA 3.35Å; V350-I352 HydrophobicContact CG1-CD1 4.14Å; V350-I364 HydrophobicContact CB-CD1 4.38Å; V350-I364 HydrophobicContact CB-CG1 3.81Å; V350-I364 HydrophobicContact CG1-CG1 4.34Å; V350-I364 PolarHBondContact N-O 2.72Å; V350-I364 VanDerWaalsContact N-O 3.12Å; V350-I364 PolarHBondContact O-N 2.57Å; V350-F369 HydrophobicContact CB-CE2 4.47Å; V350-F369 HydrophobicContact CG2-CE2 3.81Å; V350-F369 HydrophobicContact CG2-CZ 4.01Å; V350-V373 HydrophobicContact CG2-CB 4.25Å; V350-V373 HydrophobicContact CG2-CG1 3.78Å; V350-V373 HydrophobicContact CG2-CG2 4Å; V350-V376 HydrophobicContact CG1-CG1 4.2Å; V350-V376 HydrophobicContact CG2-CG1 3.77Å; V350-L387 HydrophobicContact CG1-CD2 3.88Å; V350-A389 HydrophobicContact CG2-CB 4.49Å
351	R	98.8	Very high	94.5	Very high	45 Å²	45	56 Å²	56	17%	0.17	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136	171	-62.7	-171.4	166	-117	1.8	109.3	Y312 G314 A332 T333 H349 V363	Y312-R351 WeakPolarHBondContact OH-CD 3.43Å; G314-R351 PolarHBondContact O-NE 2.99Å; G314-R351 PolarHBondContact O-NH1 2.92Å; G314-R351 VanDerWaalsContact O-NH1 3.16Å; G314-R351 PolarHBondContact O-NH2 3.19Å; G314-R351 VanDerWaalsContact O-NH2 3.12Å; A332-R351 CarbonylContact C-O 3.51Å; A332-R351 VanDerWaalsContact CA-O 3.29Å; A332-R351 WeakPolarHBondContact CA-O 3.49Å; T333-R351 PolarHBondContact N-O 3.29Å; T333-R351 PolarHBondContact O-N 2.76Å; H349-R351 PolarHBondContact NE2-NE 3.44Å; R351-V363 HydrophobicContact CG-CG2 4.38Å
352	I	98.9	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.8	168.9	-58.4	86.6	0	0	0	106.9	T330 I331 A332 V350 L361 H362 I364 F378 L387 W403	T330-I352 HydrophobicContact CG2-CG2 3.41Å; T330-I352 VanDerWaalsContact CG2-CG2 3.41Å; I331-I352 CarbonylContact O-C 3.51Å; I331-I352 VanDerWaalsContact O-CA 3.3Å; I331-I352 WeakPolarHBondContact O-CA 3.47Å; A332-I352 HydrophobicContact CB-CG1 4.13Å; V350-I352 HydrophobicContact CG1-CD1 4.14Å; I352-L361 WeakPolarHBondContact O-CA 3.44Å; I352-L361 WeakPolarHBondContact O-CB 3.17Å; I352-L361 PolarHBondContact O-N 3.11Å; I352-H362 HydrophobicContact CB-CB 4.26Å; I352-H362 HydrophobicContact CD1-CB 4.17Å; I352-H362 PolarHBondContact N-O 3.17Å; I352-H362 PolarHBondContact O-N 3.33Å; I352-I364 HydrophobicContact CD1-CD1 3.95Å; I352-I364 HydrophobicContact CD1-CG1 3.93Å; I352-I364 HydrophobicContact CD1-CG2 4.12Å; I352-F378 HydrophobicContact CG2-CZ 4.26Å; I352-L387 HydrophobicContact CD1-CD2 4.29Å; I352-L387 HydrophobicContact CG1-CD2 4.34Å; I352-W403 HydrophobicContact CB-CE3 4.31Å; I352-W403 HydrophobicContact CD1-CB 4.08Å; I352-W403 HydrophobicContact CG1-CB 4.27Å; I352-W403 HydrophobicContact CG1-CE3 4.39Å; I352-W403 HydrophobicContact CG2-CD2 4.37Å; I352-W403 HydrophobicContact CG2-CE3 3.76Å; I352-W403 HydrophobicContact CG2-CH2 4.49Å; I352-W403 HydrophobicContact CG2-CZ3 3.83Å
353	W	98.8	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.5	-170.9	55.7	-83	0	0	0	111.8	V299 L301 Y312 I331 T333 L358 N359	V299-W353 HydrophobicContact CB-CH2 4.33Å; V299-W353 HydrophobicContact CB-CZ2 3.98Å; V299-W353 HydrophobicContact CG1-CH2 4.16Å; V299-W353 HydrophobicContact CG1-CZ2 3.84Å; V299-W353 HydrophobicContact CG2-CZ2 4.11Å; L301-W353 HydrophobicContact CD1-CH2 3.99Å; L301-W353 HydrophobicContact CD1-CZ3 4.15Å; L301-W353 HydrophobicContact CD2-CH2 4.35Å; L301-W353 HydrophobicContact CD2-CZ3 4.29Å; L301-W353 HydrophobicContact CG-CH2 4.43Å; Y312-W353 AromaticContact CD1-CD2 3.92Å; Y312-W353 HydrophobicContact CD1-CD2 3.92Å; Y312-W353 AromaticContact CD1-CE2 3.67Å; Y312-W353 HydrophobicContact CD1-CG 4.15Å; Y312-W353 HydrophobicContact CD1-CZ2 4.09Å; Y312-W353 AromaticContact CD1-NE1 3.72Å; Y312-W353 HydrophobicContact CD2-CB 4.18Å; Y312-W353 AromaticContact CD2-CD2 3.72Å; Y312-W353 HydrophobicContact CD2-CD2 3.72Å; Y312-W353 AromaticContact CD2-CE3 3.77Å; Y312-W353 HydrophobicContact CD2-CE3 3.77Å; Y312-W353 AromaticContact CD2-CG 3.93Å; Y312-W353 HydrophobicContact CD2-CG 3.93Å; Y312-W353 HydrophobicContact CD2-CZ3 4.38Å; Y312-W353 HydrophobicContact CE1-CB 4.48Å; Y312-W353 AromaticContact CE1-CD1 3.53Å; Y312-W353 HydrophobicContact CE1-CD2 4.12Å; Y312-W353 AromaticContact CE1-CG 3.84Å; Y312-W353 HydrophobicContact CE1-CG 3.84Å; Y312-W353 AromaticContact CE1-NE1 3.62Å; Y312-W353 HydrophobicContact CE2-CB 3.54Å; Y312-W353 AromaticContact CE2-CD2 3.94Å; Y312-W353 HydrophobicContact CE2-CD2 3.94Å; Y312-W353 HydrophobicContact CE2-CE3 4.33Å; Y312-W353 AromaticContact CE2-CG 3.61Å; Y312-W353 HydrophobicContact CE2-CG 3.61Å; Y312-W353 AromaticContact CG-CD2 3.7Å; Y312-W353 HydrophobicContact CG-CD2 3.7Å; Y312-W353 AromaticContact CG-CE2 3.81Å; Y312-W353 AromaticContact CG-CE3 3.86Å; Y312-W353 HydrophobicContact CG-CE3 3.86Å; Y312-W353 HydrophobicContact CG-CG 4.18Å; Y312-W353 HydrophobicContact CG-CH2 4.26Å; Y312-W353 HydrophobicContact CG-CZ2 4.11Å; Y312-W353 HydrophobicContact CG-CZ3 4.14Å; Y312-W353 AromaticContact CZ-CD1 3.58Å; Y312-W353 AromaticContact CZ-CG 3.54Å; I331-W353 HydrophobicContact CB-CD2 4.1Å; I331-W353 HydrophobicContact CB-CH2 4.29Å; I331-W353 HydrophobicContact CB-CZ2 3.83Å; I331-W353 HydrophobicContact CD1-CH2 3.69Å; I331-W353 HydrophobicContact CD1-CZ2 4.01Å; I331-W353 HydrophobicContact CD1-CZ3 4.1Å; I331-W353 HydrophobicContact CG2-CD2 4.46Å; I331-W353 HydrophobicContact CG2-CH2 4.24Å; I331-W353 HydrophobicContact CG2-CZ2 3.46Å; I331-W353 VanDerWaalsContact CG2-CZ2 3.46Å; I331-W353 PolarHBondContact N-O 2.93Å; I331-W353 PolarHBondContact O-N 3.28Å; T333-W353 PolarHBondContact OG1-NE1 2.89Å; W353-L358 HydrophobicContact CE3-CD2 4.44Å; W353-L358 HydrophobicContact CZ3-CD2 3.9Å; W353-N359 VanDerWaalsContact CA-O 3.24Å; W353-N359 WeakPolarHBondContact CA-O 3.38Å; W353-N359 VanDerWaalsContact CB-O 3.22Å; W353-N359 WeakPolarHBondContact CB-O 3.47Å
354	D	98.4	Very high	97	Very high	34 Å²	34	46.2 Å²	46.2	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.8	-177.2	172.1	84.1	0	0	0	110.5	V329 V356 S357 L358 N359 L361	V329-D354 VanDerWaalsContact CG1-OD1 3.28Å; V329-D354 WeakPolarHBondContact CG1-OD1 3.47Å; D354-V356 VanDerWaalsContact C-N 3.27Å; D354-V356 PolarHBondContact O-N 3.38Å; D354-V356 PolarHBondContact OD2-N 2.8Å; D354-S357 VanDerWaalsContact OD2-CB 3.26Å; D354-S357 WeakPolarHBondContact OD2-CB 3.41Å; D354-S357 PolarHBondContact OD2-N 3Å; D354-S357 PolarHBondContact OD2-OG 3.28Å; D354-L358 WeakPolarHBondContact O-CA 3.29Å; D354-L358 PolarHBondContact O-N 2.8Å; D354-N359 PolarHBondContact N-O 2.9Å; D354-L361 HydrophobicContact CB-CD1 4.21Å; D354-L361 HydrophobicContact CB-CD2 4.23Å; D354-L361 HydrophobicContact CB-CG 4.29Å
355	S	98.3	Very high	97.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.8	-173.7	71.4	0	0	0	0	114.5	R310 V329 L358	R310-S355 VanDerWaalsContact CZ-O 3.32Å; R310-S355 PolarHBondContact NH1-O 2.67Å; R310-S355 PolarHBondContact NH2-O 3.11Å; V329-S355 VanDerWaalsContact O-CB 3.22Å; V329-S355 WeakPolarHBondContact O-CB 2.93Å; V329-S355 PolarHBondContact O-N 2.66Å; V329-S355 PolarHBondContact O-OG 2.97Å; V329-S355 VanDerWaalsContact O-OG 3.05Å; S355-L358 WeakPolarHBondContact O-CD2 3.44Å
356	V	97.3	Very high	97.4	Very high	95 Å²	95	39.3 Å²	39.3	58%	0.576	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-53.2	-179.1	177.2	0	0	0	0	110.3	R310 V329 D354	R310-V356 PolarHBondContact NH1-O 3.07Å; V329-V356 HydrophobicContact CG1-CG2 4.05Å; D354-V356 VanDerWaalsContact C-N 3.27Å; D354-V356 PolarHBondContact O-N 3.38Å; D354-V356 PolarHBondContact OD2-N 2.8Å
357	S	97.7	Very high	97.4	Very high	60 Å²	60	40 Å²	40	42%	0.42	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.8	-177.2	69.4	0	0	0	0	114.5	D354 N359	D354-S357 VanDerWaalsContact OD2-CB 3.26Å; D354-S357 WeakPolarHBondContact OD2-CB 3.41Å; D354-S357 PolarHBondContact OD2-N 3Å; D354-S357 PolarHBondContact OD2-OG 3.28Å; S357-N359 VanDerWaalsContact CB-ND2 3.3Å; S357-N359 WeakPolarHBondContact CB-ND2 3.3Å; S357-N359 PolarHBondContact O-N 2.85Å; S357-N359 PolarHBondContact OG-ND2 3.01Å
358	L	98.4	Very high	97.4	Very high	47 Å²	47	41 Å²	41	25%	0.246	25%	0.248	C	C	.	.			trans	60.8	15.5	-176.4	-50.4	175.7	0	0	0	114.1	L301 R310 Y312 W353 D354 S355	L301-L358 HydrophobicContact CD1-CD2 3.83Å; L301-L358 HydrophobicContact CD2-CD2 4.3Å; R310-L358 HydrophobicContact CB-CD1 4.17Å; Y312-L358 WeakPolarHBondContact CD2-O 3.43Å; Y312-L358 WeakPolarHBondContact CE2-O 3.3Å; W353-L358 HydrophobicContact CE3-CD2 4.44Å; W353-L358 HydrophobicContact CZ3-CD2 3.9Å; D354-L358 WeakPolarHBondContact O-CA 3.29Å; D354-L358 PolarHBondContact O-N 2.8Å; S355-L358 WeakPolarHBondContact O-CD2 3.44Å
359	N	98.4	Very high	97.3	Very high	96 Å²	96	41.3 Å²	41.3	51%	0.513	25%	0.248	S	C	.	.			trans	-77.7	139.1	177.6	-71.4	-54.9	0	0	0	111.5	W353 D354 S357 L361	W353-N359 VanDerWaalsContact CA-O 3.24Å; W353-N359 WeakPolarHBondContact CA-O 3.38Å; W353-N359 VanDerWaalsContact CB-O 3.22Å; W353-N359 WeakPolarHBondContact CB-O 3.47Å; D354-N359 PolarHBondContact N-O 2.9Å; S357-N359 VanDerWaalsContact CB-ND2 3.3Å; S357-N359 WeakPolarHBondContact CB-ND2 3.3Å; S357-N359 PolarHBondContact O-N 2.85Å; S357-N359 PolarHBondContact OG-ND2 3.01Å; N359-L361 PolarHBondContact O-N 2.81Å
360	T	98.8	Very high	97.2	Very high	57 Å²	57	45.3 Å²	45.3	35%	0.35	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.8	166.7	-52.4	0	0	0	0	108.9	Y312 V363	Y312-T360 PolarHBondContact OH-OG1 2.99Å; T360-V363 HydrophobicContact CG2-CG2 3.73Å
361	L	98.6	Very high	97.1	Very high	79 Å²	79	51 Å²	51	41%	0.414	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-45.2	176.1	-58.4	177.3	0	0	0	110.9	T330 I352 D354 N359	T330-L361 HydrophobicContact CG2-CD1 4.29Å; I352-L361 WeakPolarHBondContact O-CA 3.44Å; I352-L361 WeakPolarHBondContact O-CB 3.17Å; I352-L361 PolarHBondContact O-N 3.11Å; D354-L361 HydrophobicContact CB-CD1 4.21Å; D354-L361 HydrophobicContact CB-CD2 4.23Å; D354-L361 HydrophobicContact CB-CG 4.29Å; N359-L361 PolarHBondContact O-N 2.81Å
362	H	98.6	Very high	97.1	Very high	41 Å²	41	49.2 Å²	49.2	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.5	-177.5	-63.3	-77.6	0	0	0	112.1	I352 I364 W403 Q404 E406	I352-H362 HydrophobicContact CB-CB 4.26Å; I352-H362 HydrophobicContact CD1-CB 4.17Å; I352-H362 PolarHBondContact N-O 3.17Å; I352-H362 PolarHBondContact O-N 3.33Å; H362-I364 HydrophobicContact CB-CG2 4.43Å; H362-W403 AromaticContact CD2-CE3 3.56Å; H362-W403 AromaticContact CD2-CZ3 3.69Å; H362-Q404 PolarHBondContact CE1-O 2.84Å; H362-E406 HydrophobicContact CB-CG 4.33Å; H362-E406 IonicContact CE1-OE1 3.92Å; H362-E406 IonicContact CG-OE1 3.75Å; H362-E406 IonicContact ND1-OE1 3.26Å; H362-E406 PolarHBondContact ND1-OE1 3.4Å
363	V	98.3	Very high	97	Very high	49 Å²	49	49.2 Å²	49.2	30%	0.297	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.4	170.6	-177.2	0	0	0	0	108.3	H349 R351 T360 M366	H349-V363 HydrophobicContact CB-CG1 4.41Å; R351-V363 HydrophobicContact CG-CG2 4.38Å; T360-V363 HydrophobicContact CG2-CG2 3.73Å; V363-M366 HydrophobicContact CG1-CG 4.01Å; V363-M366 HydrophobicContact CG1-SD 4.26Å
364	I	98.1	Very high	97	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.6	-173	70.5	170.8	0	0	0	112.6	V350 I352 H362 M366 L387 W401 W403 E406	V350-I364 HydrophobicContact CB-CD1 4.38Å; V350-I364 HydrophobicContact CB-CG1 3.81Å; V350-I364 HydrophobicContact CG1-CG1 4.34Å; V350-I364 PolarHBondContact N-O 2.72Å; V350-I364 VanDerWaalsContact N-O 3.12Å; V350-I364 PolarHBondContact O-N 2.57Å; I352-I364 HydrophobicContact CD1-CD1 3.95Å; I352-I364 HydrophobicContact CD1-CG1 3.93Å; I352-I364 HydrophobicContact CD1-CG2 4.12Å; H362-I364 HydrophobicContact CB-CG2 4.43Å; I364-M366 VanDerWaalsContact C-N 3.32Å; I364-M366 PolarHBondContact O-N 3.02Å; I364-L387 HydrophobicContact CD1-CD2 3.98Å; I364-W401 HydrophobicContact CB-CE3 4.15Å; I364-W401 HydrophobicContact CB-CZ3 4.38Å; I364-W401 HydrophobicContact CD1-CB 3.93Å; I364-W401 HydrophobicContact CD1-CD2 3.91Å; I364-W401 HydrophobicContact CD1-CE3 4.18Å; I364-W401 HydrophobicContact CD1-CG 3.78Å; I364-W403 HydrophobicContact CD1-CB 4.5Å; I364-E406 HydrophobicContact CG2-CB 4.16Å; I364-E406 HydrophobicContact CG2-CG 4.06Å
365	G	92.9	Very high	97	Very high	7 Å²	7	49.5 Å²	49.5	7%	0.072	29%	0.29	C	S	.	.			trans	72	17.8	173.9	0	0	0	0	0	115.9	G367 A368 F369	G365-G367 PolarHBondContact O-N 3.21Å; G365-A368 PolarHBondContact O-N 2.72Å; G365-F369 WeakPolarHBondContact O-CD2 3.21Å; G365-F369 PolarHBondContact O-N 2.88Å
366	M	92.8	Very high	97	Very high	119 Å²	119	49.9 Å²	49.9	59%	0.586	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	107.8	171	-74.5	-65.2	-65.4	0	0	110.9	H349 V363 I364 A368	H349-M366 HydrophobicContact CB-CG 4.28Å; H349-M366 HydrophobicContact CB-SD 3.58Å; H349-M366 VanDerWaalsContact CB-SD 3.58Å; V363-M366 HydrophobicContact CG1-CG 4.01Å; V363-M366 HydrophobicContact CG1-SD 4.26Å; I364-M366 VanDerWaalsContact C-N 3.32Å; I364-M366 PolarHBondContact O-N 3.02Å; M366-A368 VanDerWaalsContact C-N 3.3Å
367	G	91.3	Very high	97	Very high	66 Å²	66	45.8 Å²	45.8	68%	0.68	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	11	-176.6	0	0	0	0	0	115.4	G365	G365-G367 PolarHBondContact O-N 3.21Å
368	A	95.1	Very high	97.1	Very high	51 Å²	51	43 Å²	43	42%	0.421	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-33.6	170.1	0	0	0	0	0	112.2	G365 M366 W401	G365-A368 PolarHBondContact O-N 2.72Å; M366-A368 VanDerWaalsContact C-N 3.3Å; A368-W401 HydrophobicContact CB-CH2 4.01Å; A368-W401 HydrophobicContact CB-CZ2 4.1Å
369	F	97.5	Very high	97.1	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.057	24%	0.236	C	C	.	.	S	Bend	trans	-89	149.1	175.5	-55.1	-62.7	0	0	0	111.8	P348 V350 G365 V373 A389 D391 S399 W401	P348-F369 HydrophobicContact CB-CB 4.39Å; P348-F369 HydrophobicContact CG-CB 3.97Å; P348-F369 WeakPolarHBondContact CG-O 3.5Å; V350-F369 HydrophobicContact CB-CE2 4.47Å; V350-F369 HydrophobicContact CG2-CE2 3.81Å; V350-F369 HydrophobicContact CG2-CZ 4.01Å; G365-F369 WeakPolarHBondContact O-CD2 3.21Å; G365-F369 PolarHBondContact O-N 2.88Å; F369-V373 HydrophobicContact CB-CG2 4.1Å; F369-V373 HydrophobicContact CD1-CG2 4.18Å; F369-V373 HydrophobicContact CD2-CG2 3.57Å; F369-V373 HydrophobicContact CE1-CG2 4.5Å; F369-V373 HydrophobicContact CE2-CG2 3.93Å; F369-V373 HydrophobicContact CG-CG2 3.7Å; F369-V373 HydrophobicContact CZ-CG2 4.38Å; F369-A389 HydrophobicContact CE1-CB 3.64Å; F369-A389 HydrophobicContact CZ-CB 3.68Å; F369-D391 HydrophobicContact CB-CB 4.15Å; F369-D391 HydrophobicContact CD1-CB 4.08Å; F369-S399 WeakPolarHBondContact CE1-OG 3.29Å; F369-W401 HydrophobicContact CZ-CZ2 4.16Å; F369-W401 AromaticContact CZ-NE1 3.89Å
370	D	96.3	Very high	97	Very high	88 Å²	88	39.9 Å²	39.9	47%	0.471	23%	0.228	S	C	.	.			trans	-111.1	147	170.3	-171.7	22.8	0	0	0	111.9	A372 D391 A393	D370-A372 PolarHBondContact O-N 3.49Å; D370-D391 PolarHBondContact N-OD2 2.69Å; D370-A393 HydrophobicContact CB-CB 4.04Å
371	R	96.3	Very high	96.8	Very high	120 Å²	120	40 Å²	40	45%	0.453	23%	0.23	S	C	.	.	S	Bend	trans	54.6	-54.3	-178.6	-70.8	167.4	170	163.4	2.6	118.7	A337 D392 N394	A337-R371 WeakPolarHBondContact CB-O 3.23Å; A337-R371 PolarHBondContact N-O 3.46Å; R371-D392 HydrophobicContact CB-CB 4.08Å; R371-D392 WeakPolarHBondContact CD-O 3.46Å; R371-D392 PolarHBondContact NH1-O 2.86Å; R371-N394 PolarHBondContact NH1-OD1 3.39Å; R371-N394 PolarHBondContact NH2-OD1 2.82Å
372	A	97.6	Very high	96.7	Very high	6 Å²	6	38.2 Å²	38.2	5%	0.05	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-165.9	158.7	-179.7	0	0	0	0	0	110.8	V336 D370 D391 D392	V336-A372 HydrophobicContact CB-CB 4.18Å; V336-A372 HydrophobicContact CG1-CB 3.95Å; D370-A372 PolarHBondContact O-N 3.49Å; A372-D391 CarbonylContact O-C 3.01Å; A372-D391 WeakPolarHBondContact O-CA 3.33Å; A372-D391 WeakPolarHBondContact O-CB 3.23Å; A372-D392 HydrophobicContact CB-CB 4.08Å; A372-D392 PolarHBondContact O-N 3.08Å
373	V	98.4	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.8	165.5	-169.4	0	0	0	0	108.9	K320 C321 Q335 P348 V350 F369 V376 A389	K320-V373 WeakPolarHBondContact CB-O 3.34Å; C321-V373 PolarHBondContact SG-O 2.95Å; Q335-V373 PolarHBondContact O-N 2.89Å; P348-V373 HydrophobicContact CB-CG2 4.49Å; V350-V373 HydrophobicContact CG2-CB 4.25Å; V350-V373 HydrophobicContact CG2-CG1 3.78Å; V350-V373 HydrophobicContact CG2-CG2 4Å; F369-V373 HydrophobicContact CB-CG2 4.1Å; F369-V373 HydrophobicContact CD1-CG2 4.18Å; F369-V373 HydrophobicContact CD2-CG2 3.57Å; F369-V373 HydrophobicContact CE1-CG2 4.5Å; F369-V373 HydrophobicContact CE2-CG2 3.93Å; F369-V373 HydrophobicContact CG-CG2 3.7Å; F369-V373 HydrophobicContact CZ-CG2 4.38Å; V373-V376 HydrophobicContact CG1-CG1 3.88Å; V373-A389 HydrophobicContact CG1-CB 4.11Å
374	T	97.7	Very high	96.5	Very high	33 Å²	33	36.2 Å²	36.2	20%	0.202	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-23.6	-169.9	59.8	0	0	0	0	113.7	C321 V390 D392	C321-T374 WeakPolarHBondContact CB-O 3.42Å; T374-V390 PolarHBondContact N-O 3.31Å; T374-V390 PolarHBondContact OG1-O 3.29Å; T374-D392 HydrophobicContact CG2-CB 3.73Å
375	C	98.2	Very high	96.5	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.054	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.3	174.8	-58.1	0	0	0	0	109.7	A389 V390 A422	C375-A389 CarbonylContact O-C 3.54Å; C375-A389 VanDerWaalsContact O-CA 3.26Å; C375-A389 WeakPolarHBondContact O-CA 3.33Å; C375-V390 HydrophobicContact CB-CB 4.01Å; C375-V390 HydrophobicContact CB-CG2 4.18Å; C375-V390 PolarHBondContact N-O 2.76Å; C375-V390 PolarHBondContact O-N 3.05Å; C375-A422 HydrophobicContact CB-CB 3.81Å
376	V	98.4	Very high	96.7	Very high	10 Å²	10	39.7 Å²	39.7	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.6	164.6	-72.7	0	0	0	0	110.2	C321 S323 V350 V373 L387 C388 A389	C321-V376 HydrophobicContact CB-CG2 4.06Å; S323-V376 WeakPolarHBondContact CB-O 3.43Å; V350-V376 HydrophobicContact CG1-CG1 4.2Å; V350-V376 HydrophobicContact CG2-CG1 3.77Å; V373-V376 HydrophobicContact CG1-CG1 3.88Å; V376-L387 HydrophobicContact CB-CD1 4.49Å; V376-C388 VanDerWaalsContact CA-O 3.31Å; V376-C388 WeakPolarHBondContact CA-O 3.34Å; V376-A389 HydrophobicContact CG1-CB 4.21Å
377	S	98.4	Very high	97	Very high	9 Å²	9	34 Å²	34	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	131.3	174.2	-167	0	0	0	0	112.6	L387 C388 A422 F424	S377-L387 WeakPolarHBondContact O-CA 3.25Å; S377-L387 WeakPolarHBondContact O-CD1 3.39Å; S377-C388 PolarHBondContact N-O 3.37Å; S377-C388 PolarHBondContact O-N 3.45Å; S377-A422 VanDerWaalsContact CB-O 3.26Å; S377-A422 WeakPolarHBondContact CB-O 3.42Å; S377-F424 WeakPolarHBondContact O-CD2 3.45Å; S377-F424 WeakPolarHBondContact O-CE2 3.34Å
378	F	98.7	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.2	171	-71.2	-75.3	0	0	0	111.5	H325 T330 A332 I352 K380 F386 L387 W403	H325-F378 VanDerWaalsContact CA-CD2 3.46Å; H325-F378 HydrophobicContact CB-CD1 4.49Å; H325-F378 HydrophobicContact CB-CD2 3.77Å; H325-F378 HydrophobicContact CB-CE1 4.43Å; H325-F378 HydrophobicContact CB-CE2 3.69Å; H325-F378 HydrophobicContact CB-CG 4.14Å; H325-F378 HydrophobicContact CB-CZ 4.02Å; H325-F378 AromaticContact CD2-CD1 3.53Å; H325-F378 AromaticContact CD2-CE1 3.69Å; H325-F378 AromaticContact CD2-CG 3.83Å; T330-F378 HydrophobicContact CG2-CZ 4.22Å; A332-F378 HydrophobicContact CB-CD2 4.42Å; A332-F378 HydrophobicContact CB-CE1 4.46Å; A332-F378 HydrophobicContact CB-CE2 3.48Å; A332-F378 VanDerWaalsContact CB-CE2 3.48Å; A332-F378 HydrophobicContact CB-CZ 3.53Å; I352-F378 HydrophobicContact CG2-CZ 4.26Å; F378-K380 VanDerWaalsContact O-CE 3.29Å; F378-K380 WeakPolarHBondContact O-CE 3.05Å; F378-F386 WeakPolarHBondContact CA-O 3.29Å; F378-L387 HydrophobicContact CB-CD1 4.42Å; F378-L387 HydrophobicContact CD1-CB 4.12Å; F378-L387 HydrophobicContact CD1-CD1 3.48Å; F378-L387 VanDerWaalsContact CD1-CD1 3.48Å; F378-L387 HydrophobicContact CD1-CG 4.37Å; F378-L387 HydrophobicContact CD2-CD1 3.92Å; F378-L387 HydrophobicContact CE1-CB 4.27Å; F378-L387 HydrophobicContact CE1-CD1 3.67Å; F378-L387 HydrophobicContact CE1-CG 4.4Å; F378-L387 HydrophobicContact CE2-CD1 4.09Å; F378-L387 HydrophobicContact CG-CD1 3.65Å; F378-L387 HydrophobicContact CZ-CD1 3.98Å; F378-W403 AromaticContact CD1-NE1 3.84Å; F378-W403 AromaticContact CE1-CD1 3.72Å; F378-W403 HydrophobicContact CE1-CD2 4.23Å; F378-W403 AromaticContact CE1-CE2 3.85Å; F378-W403 HydrophobicContact CE1-CG 4.15Å; F378-W403 HydrophobicContact CE1-CZ2 4.45Å; F378-W403 AromaticContact CE1-NE1 3.52Å
379	S	98.3	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.			trans	-59.8	150.8	166.9	55.7	0	0	0	0	110.7	P326 N382 G384 F386 F424	P326-S379 WeakPolarHBondContact CG-O 3.46Å; S379-N382 VanDerWaalsContact CB-OD1 3.27Å; S379-N382 WeakPolarHBondContact CB-OD1 3.45Å; S379-N382 PolarHBondContact OG-ND2 2.88Å; S379-N382 PolarHBondContact OG-OD1 2.63Å; S379-G384 WeakPolarHBondContact O-CA 3.38Å; S379-G384 PolarHBondContact O-N 2.86Å; S379-F386 PolarHBondContact N-O 3.45Å; S379-F386 PolarHBondContact OG-N 3.48Å; S379-F386 PolarHBondContact OG-O 2.69Å; S379-F386 VanDerWaalsContact OG-O 3.11Å; S379-F424 VanDerWaalsContact CA-CD2 3.49Å
380	K	96.1	Very high	97.6	Very high	79 Å²	79	27.9 Å²	27.9	34%	0.343	16%	0.157	S	C	.	.	S	Bend	trans	-111.7	-47.9	-174.6	-53.6	-58	-178.2	-179.9	0	112.3	V324 P326 F378 N382 G383	V324-K380 PolarHBondContact O-NZ 2.89Å; P326-K380 HydrophobicContact CG-CD 3.77Å; F378-K380 VanDerWaalsContact O-CE 3.29Å; F378-K380 WeakPolarHBondContact O-CE 3.05Å; K380-N382 VanDerWaalsContact C-N 3.32Å; K380-N382 PolarHBondContact O-N 3.26Å; K380-G383 PolarHBondContact O-N 2.93Å
381	S	95.2	Very high	97.6	Very high	58 Å²	58	23.9 Å²	23.9	41%	0.406	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.5	-176.4	50.8	0	0	0	0	116.3	P426 D428 T429	S381-P426 WeakPolarHBondContact CB-O 3.27Å; S381-P426 PolarHBondContact N-O 2.87Å; S381-D428 VanDerWaalsContact OG-C 3.29Å; S381-T429 VanDerWaalsContact OG-CA 3.3Å; S381-T429 WeakPolarHBondContact OG-CA 3.46Å; S381-T429 WeakPolarHBondContact OG-CB 3.34Å; S381-T429 PolarHBondContact OG-N 2.9Å
382	N	96.1	Very high	97.7	Very high	43 Å²	43	21.3 Å²	21.3	23%	0.23	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	23.8	176.3	73.5	-10.5	0	0	0	112.9	S379 K380 G384 S385 F386 T429	S379-N382 VanDerWaalsContact CB-OD1 3.27Å; S379-N382 WeakPolarHBondContact CB-OD1 3.45Å; S379-N382 PolarHBondContact OG-ND2 2.88Å; S379-N382 PolarHBondContact OG-OD1 2.63Å; K380-N382 VanDerWaalsContact C-N 3.32Å; K380-N382 PolarHBondContact O-N 3.26Å; N382-G384 VanDerWaalsContact C-N 3.3Å; N382-G384 PolarHBondContact O-N 2.92Å; N382-G384 PolarHBondContact OD1-N 3.43Å; N382-S385 PolarHBondContact O-OG 2.88Å; N382-S385 PolarHBondContact OD1-N 3.12Å; N382-F386 VanDerWaalsContact ND2-CD2 3.3Å; N382-F386 WeakPolarHBondContact ND2-CD2 3.37Å; N382-F386 WeakPolarHBondContact ND2-CE2 3.3Å; N382-T429 PolarHBondContact ND2-OG1 3.43Å
383	G	96.4	Very high	97.5	Very high	47 Å²	47	21.5 Å²	21.5	49%	0.485	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	26	-179.3	0	0	0	0	0	114.5	H325 K380	H325-G383 PolarHBondContact CE1-O 2.99Å; H325-G383 PolarHBondContact NE2-O 2.66Å; K380-G383 PolarHBondContact O-N 2.93Å
384	G	97.3	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	14.1	175.6	0	0	0	0	0	116.2	H325 S379 N382 F386 W403	H325-G384 VanDerWaalsContact NE2-CA 3.34Å; H325-G384 WeakPolarHBondContact NE2-CA 3.27Å; H325-G384 PolarHBondContact NE2-O 3.47Å; S379-G384 WeakPolarHBondContact O-CA 3.38Å; S379-G384 PolarHBondContact O-N 2.86Å; N382-G384 VanDerWaalsContact C-N 3.3Å; N382-G384 PolarHBondContact O-N 2.92Å; N382-G384 PolarHBondContact OD1-N 3.43Å; G384-F386 PolarHBondContact O-N 2.87Å; G384-W403 PolarHBondContact O-NE1 2.89Å
385	S	96.9	Very high	97.3	Very high	43 Å²	43	27.5 Å²	27.5	30%	0.301	16%	0.163	S	C	.	.			trans	-59.3	-15	179.7	-56	0	0	0	0	115	N382 N402	N382-S385 PolarHBondContact O-OG 2.88Å; N382-S385 PolarHBondContact OD1-N 3.12Å; S385-N402 PolarHBondContact O-ND2 2.85Å
386	F	98.2	Very high	97.2	Very high	41 Å²	41	27.8 Å²	27.8	18%	0.18	16%	0.164	C	C	.	.			trans	-122.2	149	174.8	-54.2	-39.5	0	0	0	112.1	F378 S379 N382 G384 V400 W401 L409 F424 M445	F378-F386 WeakPolarHBondContact CA-O 3.29Å; S379-F386 PolarHBondContact N-O 3.45Å; S379-F386 PolarHBondContact OG-N 3.48Å; S379-F386 PolarHBondContact OG-O 2.69Å; S379-F386 VanDerWaalsContact OG-O 3.11Å; N382-F386 VanDerWaalsContact ND2-CD2 3.3Å; N382-F386 WeakPolarHBondContact ND2-CD2 3.37Å; N382-F386 WeakPolarHBondContact ND2-CE2 3.3Å; G384-F386 PolarHBondContact O-N 2.87Å; F386-V400 HydrophobicContact CB-CG1 4.23Å; F386-W401 CarbonylContact C-O 3.6Å; F386-W401 VanDerWaalsContact CA-O 3.28Å; F386-W401 WeakPolarHBondContact CA-O 3.42Å; F386-L409 HydrophobicContact CD1-CD1 3.5Å; F386-L409 HydrophobicContact CE1-CD1 3.44Å; F386-L409 VanDerWaalsContact CE1-CD1 3.44Å; F386-L409 HydrophobicContact CG-CD1 4.3Å; F386-L409 HydrophobicContact CZ-CD1 4.17Å; F386-F424 HydrophobicContact CB-CE2 4.49Å; F386-F424 HydrophobicContact CB-CZ 3.97Å; F386-M445 HydrophobicContact CD2-CE 3.89Å; F386-M445 HydrophobicContact CE2-CE 3.63Å; F386-M445 HydrophobicContact CZ-CE 4.28Å
387	L	98.6	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.9	171	-174.8	75.8	0	0	0	108.3	A332 V350 I352 I364 V376 S377 F378 W401 W403	A332-L387 HydrophobicContact CB-CD1 3.88Å; A332-L387 HydrophobicContact CB-CD2 3.95Å; V350-L387 HydrophobicContact CG1-CD2 3.88Å; I352-L387 HydrophobicContact CD1-CD2 4.29Å; I352-L387 HydrophobicContact CG1-CD2 4.34Å; I364-L387 HydrophobicContact CD1-CD2 3.98Å; V376-L387 HydrophobicContact CB-CD1 4.49Å; S377-L387 WeakPolarHBondContact O-CA 3.25Å; S377-L387 WeakPolarHBondContact O-CD1 3.39Å; F378-L387 HydrophobicContact CB-CD1 4.42Å; F378-L387 HydrophobicContact CD1-CB 4.12Å; F378-L387 HydrophobicContact CD1-CD1 3.48Å; F378-L387 VanDerWaalsContact CD1-CD1 3.48Å; F378-L387 HydrophobicContact CD1-CG 4.37Å; F378-L387 HydrophobicContact CD2-CD1 3.92Å; F378-L387 HydrophobicContact CE1-CB 4.27Å; F378-L387 HydrophobicContact CE1-CD1 3.67Å; F378-L387 HydrophobicContact CE1-CG 4.4Å; F378-L387 HydrophobicContact CE2-CD1 4.09Å; F378-L387 HydrophobicContact CG-CD1 3.65Å; F378-L387 HydrophobicContact CZ-CD1 3.98Å; L387-W401 PolarHBondContact N-O 2.82Å; L387-W401 PolarHBondContact O-N 3.19Å; L387-W403 HydrophobicContact CB-CB 4.33Å; L387-W403 HydrophobicContact CB-CG 4.5Å
388	C	98.6	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.6	169.1	71.5	0	0	0	0	109.8	V376 S377 L398 S399 V400 F424 I432	V376-C388 VanDerWaalsContact CA-O 3.31Å; V376-C388 WeakPolarHBondContact CA-O 3.34Å; S377-C388 PolarHBondContact N-O 3.37Å; S377-C388 PolarHBondContact O-N 3.45Å; C388-L398 HydrophobicContact CB-CD1 4.21Å; C388-S399 CarbonylContact C-O 3.53Å; C388-S399 VanDerWaalsContact CA-O 3.24Å; C388-S399 WeakPolarHBondContact CA-O 3.49Å; C388-V400 HydrophobicContact CB-CG2 4.14Å; C388-F424 HydrophobicContact CB-CD2 4.36Å; C388-F424 HydrophobicContact CB-CE2 3.61Å; C388-F424 HydrophobicContact CB-CZ 4.02Å; C388-I432 HydrophobicContact CB-CD1 3.89Å
389	A	98.6	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.4	179.2	0	0	0	0	0	110.1	V350 F369 V373 C375 V376 S399	V350-A389 HydrophobicContact CG2-CB 4.49Å; F369-A389 HydrophobicContact CE1-CB 3.64Å; F369-A389 HydrophobicContact CZ-CB 3.68Å; V373-A389 HydrophobicContact CG1-CB 4.11Å; C375-A389 CarbonylContact O-C 3.54Å; C375-A389 VanDerWaalsContact O-CA 3.26Å; C375-A389 WeakPolarHBondContact O-CA 3.33Å; V376-A389 HydrophobicContact CG1-CB 4.21Å; A389-S399 PolarHBondContact N-O 2.87Å; A389-S399 PolarHBondContact O-N 3.32Å; A389-S399 PolarHBondContact O-OG 3.33Å
390	V	98.6	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.5	170.7	-174.3	0	0	0	0	109.2	T374 C375 H396 I397 L398 V419 A422	T374-V390 PolarHBondContact N-O 3.31Å; T374-V390 PolarHBondContact OG1-O 3.29Å; C375-V390 HydrophobicContact CB-CB 4.01Å; C375-V390 HydrophobicContact CB-CG2 4.18Å; C375-V390 PolarHBondContact N-O 2.76Å; C375-V390 PolarHBondContact O-N 3.05Å; V390-H396 HydrophobicContact CG1-CB 4.04Å; V390-I397 WeakPolarHBondContact CA-O 3.14Å; V390-L398 HydrophobicContact CG2-CB 4.27Å; V390-L398 HydrophobicContact CG2-CD1 3.78Å; V390-V419 HydrophobicContact CG1-CB 4.11Å; V390-V419 HydrophobicContact CG1-CG1 4.25Å; V390-V419 HydrophobicContact CG1-CG2 4.2Å; V390-V419 HydrophobicContact CG2-CG1 4.47Å; V390-A422 HydrophobicContact CG2-CB 3.57Å
391	D	98.1	Very high	97.3	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	174.9	177	74.2	10.1	0	0	0	114.1	F369 D370 A372 A393 H396 I397	F369-D391 HydrophobicContact CB-CB 4.15Å; F369-D391 HydrophobicContact CD1-CB 4.08Å; D370-D391 PolarHBondContact N-OD2 2.69Å; A372-D391 CarbonylContact O-C 3.01Å; A372-D391 WeakPolarHBondContact O-CA 3.33Å; A372-D391 WeakPolarHBondContact O-CB 3.23Å; D391-A393 WeakPolarHBondContact OD1-CB 3.26Å; D391-A393 PolarHBondContact OD1-N 2.72Å; D391-H396 PolarHBondContact O-ND1 2.91Å; D391-I397 PolarHBondContact N-O 3.02Å; D391-I397 PolarHBondContact OD1-N 3.47Å
392	D	96.6	Very high	97.5	Very high	66 Å²	66	24 Å²	24	35%	0.353	14%	0.14	S	C	.	.			trans	-99.5	23.6	177.6	-147.7	40.8	0	0	0	112.9	R371 A372 T374 H396	R371-D392 HydrophobicContact CB-CB 4.08Å; R371-D392 WeakPolarHBondContact CD-O 3.46Å; R371-D392 PolarHBondContact NH1-O 2.86Å; A372-D392 HydrophobicContact CB-CB 4.08Å; A372-D392 PolarHBondContact O-N 3.08Å; T374-D392 HydrophobicContact CG2-CB 3.73Å; D392-H396 IonicContact OD1-CE1 3.65Å; D392-H396 PolarHBondContact OD1-CE1 3.3Å; D392-H396 IonicContact OD1-ND1 2.65Å
393	A	95.2	Very high	97.6	Very high	10 Å²	10	22.3 Å²	22.3	8%	0.083	13%	0.131	C	C	.	.	S	Bend	trans	-60.3	159.1	168.8	0	0	0	0	0	110.8	D370 D391 D395 H396 I397	D370-A393 HydrophobicContact CB-CB 4.04Å; D391-A393 WeakPolarHBondContact OD1-CB 3.26Å; D391-A393 PolarHBondContact OD1-N 2.72Å; A393-D395 PolarHBondContact O-N 2.77Å; A393-H396 PolarHBondContact O-N 2.93Å; A393-H396 PolarHBondContact O-ND1 3.06Å; A393-I397 HydrophobicContact CB-CG1 4.34Å
394	N	94.2	Very high	97.6	Very high	112 Å²	112	25 Å²	25	60%	0.599	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.6	177.7	-62.4	-31.1	0	0	0	114.2	R371	R371-N394 PolarHBondContact NH1-OD1 3.39Å; R371-N394 PolarHBondContact NH2-OD1 2.82Å
395	D	95.8	Very high	97.6	Very high	47 Å²	47	32.5 Å²	32.5	25%	0.251	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	6.6	178.5	-66.4	-54.6	0	0	0	113.1	A393 I397 K413 C414 S415	A393-D395 PolarHBondContact O-N 2.77Å; D395-I397 HydrophobicContact CB-CD1 3.98Å; D395-K413 HydrophobicContact CB-CB 4.21Å; D395-K413 HydrophobicContact CB-CD 3.84Å; D395-K413 HydrophobicContact CB-CG 3.91Å; D395-K413 VanDerWaalsContact CG-NZ 3.27Å; D395-K413 IonicContact OD1-NZ 3.57Å; D395-K413 PolarHBondContact OD1-NZ 3.2Å; D395-K413 VanDerWaalsContact OD2-CE 3.25Å; D395-K413 WeakPolarHBondContact OD2-CE 3.36Å; D395-K413 IonicContact OD2-NZ 2.81Å; D395-K413 PolarHBondContact OD2-NZ 3.15Å; D395-C414 PolarHBondContact O-N 2.81Å; D395-S415 CarbonylContact C-O 3.55Å
396	H	97.4	Very high	97.6	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.069	17%	0.173	C	C	.	.			trans	35.8	82.5	-175.4	-63.3	-65.3	0	0	0	113.1	V390 D391 D392 A393 L398 C414 S415 D417 V419	V390-H396 HydrophobicContact CG1-CB 4.04Å; D391-H396 PolarHBondContact O-ND1 2.91Å; D392-H396 IonicContact OD1-CE1 3.65Å; D392-H396 PolarHBondContact OD1-CE1 3.3Å; D392-H396 IonicContact OD1-ND1 2.65Å; A393-H396 PolarHBondContact O-N 2.93Å; A393-H396 PolarHBondContact O-ND1 3.06Å; H396-L398 PolarHBondContact O-N 2.85Å; H396-C414 WeakPolarHBondContact O-CB 3.45Å; H396-C414 PolarHBondContact O-N 2.97Å; H396-S415 WeakPolarHBondContact CB-O 3.25Å; H396-S415 PolarHBondContact CD2-O 2.82Å; H396-S415 VanDerWaalsContact CD2-O 3.3Å; H396-S415 PolarHBondContact N-O 2.91Å; H396-D417 PolarHBondContact CD2-O 3.35Å; H396-V419 HydrophobicContact CB-CG2 3.75Å
397	I	98.3	Very high	97.6	Very high	40 Å²	40	39.7 Å²	39.7	21%	0.205	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.1	-171.6	-53.1	-54.5	0	0	0	110.1	V390 D391 A393 D395 E411 K413	V390-I397 WeakPolarHBondContact CA-O 3.14Å; D391-I397 PolarHBondContact N-O 3.02Å; D391-I397 PolarHBondContact OD1-N 3.47Å; A393-I397 HydrophobicContact CB-CG1 4.34Å; D395-I397 HydrophobicContact CB-CD1 3.98Å; I397-E411 HydrophobicContact CG2-CB 4.21Å; I397-K413 HydrophobicContact CD1-CG 3.92Å
398	L	98.6	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.4	166.9	170.8	64.2	0	0	0	108.3	C388 V390 H396 E411 V412 C414 I432 T434 W443 L450	C388-L398 HydrophobicContact CB-CD1 4.21Å; V390-L398 HydrophobicContact CG2-CB 4.27Å; V390-L398 HydrophobicContact CG2-CD1 3.78Å; H396-L398 PolarHBondContact O-N 2.85Å; L398-E411 CarbonylContact O-C 3.6Å; L398-E411 WeakPolarHBondContact O-CA 3.4Å; L398-V412 HydrophobicContact CB-CG1 4.07Å; L398-V412 HydrophobicContact CD2-CG1 4.26Å; L398-V412 HydrophobicContact CG-CG1 4.43Å; L398-V412 PolarHBondContact N-O 2.96Å; L398-V412 PolarHBondContact O-N 2.81Å; L398-C414 HydrophobicContact CB-CB 3.98Å; L398-I432 HydrophobicContact CD1-CG2 4.43Å; L398-I432 HydrophobicContact CD2-CG2 4.38Å; L398-T434 HydrophobicContact CD2-CG2 4.08Å; L398-W443 HydrophobicContact CD2-CB 4.42Å; L398-W443 HydrophobicContact CD2-CD2 3.98Å; L398-W443 HydrophobicContact CD2-CG 3.86Å; L398-L450 HydrophobicContact CD2-CD1 4.17Å; L398-L450 HydrophobicContact CG-CD1 4.15Å
399	S	98.5	Very high	97.5	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.5	176.7	60.8	0	0	0	0	111.2	F369 C388 A389 W401 A410	F369-S399 WeakPolarHBondContact CE1-OG 3.29Å; C388-S399 CarbonylContact C-O 3.53Å; C388-S399 VanDerWaalsContact CA-O 3.24Å; C388-S399 WeakPolarHBondContact CA-O 3.49Å; A389-S399 PolarHBondContact N-O 2.87Å; A389-S399 PolarHBondContact O-N 3.32Å; A389-S399 PolarHBondContact O-OG 3.33Å; S399-W401 PolarHBondContact OG-NE1 2.88Å; S399-A410 WeakPolarHBondContact CA-O 3.4Å
400	V	98.6	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135	176.7	-175.3	0	0	0	0	109.4	F386 C388 L409 A410 F424 I432 M445 L450	F386-V400 HydrophobicContact CB-CG1 4.23Å; C388-V400 HydrophobicContact CB-CG2 4.14Å; V400-L409 HydrophobicContact CG1-CD1 4.48Å; V400-L409 WeakPolarHBondContact O-CB 3.3Å; V400-L409 PolarHBondContact O-N 2.61Å; V400-A410 PolarHBondContact N-O 2.95Å; V400-A410 PolarHBondContact O-N 3.48Å; V400-F424 HydrophobicContact CG1-CZ 4.1Å; V400-I432 HydrophobicContact CG2-CD1 3.47Å; V400-I432 VanDerWaalsContact CG2-CD1 3.47Å; V400-M445 HydrophobicContact CB-SD 4.11Å; V400-M445 HydrophobicContact CG1-SD 3.76Å; V400-M445 HydrophobicContact CG2-SD 4.36Å; V400-L450 HydrophobicContact CG2-CD1 4.18Å; V400-L450 HydrophobicContact CG2-CD2 4.31Å
401	W	98.6	Very high	97.4	Very high	14 Å²	14	50.9 Å²	50.9	5%	0.053	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.4	-170.2	-60.8	78	0	0	0	110.8	I364 A368 F369 F386 L387 S399 W403 K407 Q408	I364-W401 HydrophobicContact CB-CE3 4.15Å; I364-W401 HydrophobicContact CB-CZ3 4.38Å; I364-W401 HydrophobicContact CD1-CB 3.93Å; I364-W401 HydrophobicContact CD1-CD2 3.91Å; I364-W401 HydrophobicContact CD1-CE3 4.18Å; I364-W401 HydrophobicContact CD1-CG 3.78Å; A368-W401 HydrophobicContact CB-CH2 4.01Å; A368-W401 HydrophobicContact CB-CZ2 4.1Å; F369-W401 HydrophobicContact CZ-CZ2 4.16Å; F369-W401 AromaticContact CZ-NE1 3.89Å; F386-W401 CarbonylContact C-O 3.6Å; F386-W401 VanDerWaalsContact CA-O 3.28Å; F386-W401 WeakPolarHBondContact CA-O 3.42Å; L387-W401 PolarHBondContact N-O 2.82Å; L387-W401 PolarHBondContact O-N 3.19Å; S399-W401 PolarHBondContact OG-NE1 2.88Å; W401-W403 PolarHBondContact O-N 2.88Å; W401-K407 CarbonylContact C-O 3.57Å; W401-K407 WeakPolarHBondContact CA-O 3.46Å; W401-Q408 HydrophobicContact CD2-CB 4.08Å; W401-Q408 HydrophobicContact CD2-CG 4.21Å; W401-Q408 HydrophobicContact CE3-CB 3.86Å; W401-Q408 HydrophobicContact CE3-CG 4.47Å; W401-Q408 VanDerWaalsContact CE3-N 3.34Å; W401-Q408 HydrophobicContact CH2-CB 3.81Å; W401-Q408 HydrophobicContact CH2-CG 4.13Å; W401-Q408 HydrophobicContact CZ2-CB 4.06Å; W401-Q408 HydrophobicContact CZ2-CG 3.88Å; W401-Q408 VanDerWaalsContact CZ2-OE1 3.27Å; W401-Q408 HydrophobicContact CZ3-CB 3.73Å; W401-Q408 HydrophobicContact CZ3-CG 4.44Å
402	N	97.9	Very high	97.4	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	97.8	152.9	-174.4	-78.2	0	0	0	106.9	S385 Q404 K405 E406 K407 L409	S385-N402 PolarHBondContact O-ND2 2.85Å; N402-Q404 PolarHBondContact O-N 3.12Å; N402-K405 HydrophobicContact CB-CB 4.48Å; N402-K405 CarbonylContact O-C 3.48Å; N402-K405 PolarHBondContact O-N 2.85Å; N402-K405 VanDerWaalsContact OD1-CB 3.23Å; N402-K405 WeakPolarHBondContact OD1-CB 3.42Å; N402-K405 WeakPolarHBondContact OD1-CD 3.47Å; N402-K405 WeakPolarHBondContact OD1-CG 3.32Å; N402-K405 PolarHBondContact OD1-N 3.44Å; N402-K405 VanDerWaalsContact OD1-N 3.08Å; N402-E406 PolarHBondContact O-N 2.88Å; N402-E406 VanDerWaalsContact O-N 3.11Å; N402-K407 PolarHBondContact N-O 2.8Å; N402-K407 PolarHBondContact O-N 2.9Å; N402-L409 HydrophobicContact CB-CD1 4.16Å; N402-L409 HydrophobicContact CB-CD2 4.13Å; N402-L409 HydrophobicContact CB-CG 4.33Å
403	W	97.9	Very high	97.5	Very high	9 Å²	9	55.2 Å²	55.2	3%	0.034	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.6	-38.6	-171.1	61.2	-92.2	0	0	0	112.5	H325 T330 I352 H362 I364 F378 G384 L387 W401 K405 E406	H325-W403 AromaticContact CD2-CZ2 3.95Å; H325-W403 AromaticContact NE2-CZ2 3.63Å; T330-W403 HydrophobicContact CG2-CH2 3.94Å; T330-W403 HydrophobicContact CG2-CZ2 4.37Å; T330-W403 HydrophobicContact CG2-CZ3 4.36Å; I352-W403 HydrophobicContact CB-CE3 4.31Å; I352-W403 HydrophobicContact CD1-CB 4.08Å; I352-W403 HydrophobicContact CG1-CB 4.27Å; I352-W403 HydrophobicContact CG1-CE3 4.39Å; I352-W403 HydrophobicContact CG2-CD2 4.37Å; I352-W403 HydrophobicContact CG2-CE3 3.76Å; I352-W403 HydrophobicContact CG2-CH2 4.49Å; I352-W403 HydrophobicContact CG2-CZ3 3.83Å; H362-W403 AromaticContact CD2-CE3 3.56Å; H362-W403 AromaticContact CD2-CZ3 3.69Å; I364-W403 HydrophobicContact CD1-CB 4.5Å; F378-W403 AromaticContact CD1-NE1 3.84Å; F378-W403 AromaticContact CE1-CD1 3.72Å; F378-W403 HydrophobicContact CE1-CD2 4.23Å; F378-W403 AromaticContact CE1-CE2 3.85Å; F378-W403 HydrophobicContact CE1-CG 4.15Å; F378-W403 HydrophobicContact CE1-CZ2 4.45Å; F378-W403 AromaticContact CE1-NE1 3.52Å; G384-W403 PolarHBondContact O-NE1 2.89Å; L387-W403 HydrophobicContact CB-CB 4.33Å; L387-W403 HydrophobicContact CB-CG 4.5Å; W401-W403 PolarHBondContact O-N 2.88Å; W403-K405 PolarHBondContact O-N 2.85Å; W403-E406 PolarHBondContact O-N 2.95Å
404	Q	97.4	Very high	97.5	Very high	103 Å²	103	54.8 Å²	54.8	48%	0.481	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.6	-25.7	177	-66.2	178	-28.1	0	0	113.9	H362 N402	H362-Q404 PolarHBondContact CE1-O 2.84Å; N402-Q404 PolarHBondContact O-N 3.12Å
405	K	97.4	Very high	97.6	Very high	158 Å²	158	50.1 Å²	50.1	69%	0.687	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-106.1	7.3	176.6	-62.9	173.1	-174.9	175.8	0	112.4	N402 W403 K407	N402-K405 HydrophobicContact CB-CB 4.48Å; N402-K405 CarbonylContact O-C 3.48Å; N402-K405 PolarHBondContact O-N 2.85Å; N402-K405 VanDerWaalsContact OD1-CB 3.23Å; N402-K405 WeakPolarHBondContact OD1-CB 3.42Å; N402-K405 WeakPolarHBondContact OD1-CD 3.47Å; N402-K405 WeakPolarHBondContact OD1-CG 3.32Å; N402-K405 PolarHBondContact OD1-N 3.44Å; N402-K405 VanDerWaalsContact OD1-N 3.08Å; W403-K405 PolarHBondContact O-N 2.85Å; K405-K407 HydrophobicContact CB-CB 4.31Å; K405-K407 PolarHBondContact O-N 3.43Å
406	E	97.6	Very high	97.4	Very high	105 Å²	105	53.7 Å²	53.7	49%	0.491	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	30.4	-177.3	-56.6	-176.3	169.7	0	0	113.5	H362 I364 N402 W403	H362-E406 HydrophobicContact CB-CG 4.33Å; H362-E406 IonicContact CE1-OE1 3.92Å; H362-E406 IonicContact CG-OE1 3.75Å; H362-E406 IonicContact ND1-OE1 3.26Å; H362-E406 PolarHBondContact ND1-OE1 3.4Å; I364-E406 HydrophobicContact CG2-CB 4.16Å; I364-E406 HydrophobicContact CG2-CG 4.06Å; N402-E406 PolarHBondContact O-N 2.88Å; N402-E406 VanDerWaalsContact O-N 3.11Å; W403-E406 PolarHBondContact O-N 2.95Å
407	K	97.1	Very high	97.3	Very high	129 Å²	129	55.9 Å²	55.9	56%	0.561	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.2	-168	-179.7	174.9	178.4	-177.5	0	111.8	W401 N402 K405 L409	W401-K407 CarbonylContact C-O 3.57Å; W401-K407 WeakPolarHBondContact CA-O 3.46Å; N402-K407 PolarHBondContact N-O 2.8Å; N402-K407 PolarHBondContact O-N 2.9Å; K405-K407 HydrophobicContact CB-CB 4.31Å; K405-K407 PolarHBondContact O-N 3.43Å; K407-L409 HydrophobicContact CG-CD2 4.43Å
408	Q	97.9	Very high	97.1	Very high	61 Å²	61	56.6 Å²	56.6	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.7	166.1	-159.6	178.9	-50.7	0	0	110.4	W401 E411	W401-Q408 HydrophobicContact CD2-CB 4.08Å; W401-Q408 HydrophobicContact CD2-CG 4.21Å; W401-Q408 HydrophobicContact CE3-CB 3.86Å; W401-Q408 HydrophobicContact CE3-CG 4.47Å; W401-Q408 VanDerWaalsContact CE3-N 3.34Å; W401-Q408 HydrophobicContact CH2-CB 3.81Å; W401-Q408 HydrophobicContact CH2-CG 4.13Å; W401-Q408 HydrophobicContact CZ2-CB 4.06Å; W401-Q408 HydrophobicContact CZ2-CG 3.88Å; W401-Q408 VanDerWaalsContact CZ2-OE1 3.27Å; W401-Q408 HydrophobicContact CZ3-CB 3.73Å; W401-Q408 HydrophobicContact CZ3-CG 4.44Å; Q408-E411 PolarHBondContact NE2-OE2 2.87Å
409	L	97.6	Very high	97	Very high	47 Å²	47	56.9 Å²	56.9	25%	0.246	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-43.6	-178.3	-56.5	-179.4	0	0	0	111.6	F386 V400 N402 K407 N448	F386-L409 HydrophobicContact CD1-CD1 3.5Å; F386-L409 HydrophobicContact CE1-CD1 3.44Å; F386-L409 VanDerWaalsContact CE1-CD1 3.44Å; F386-L409 HydrophobicContact CG-CD1 4.3Å; F386-L409 HydrophobicContact CZ-CD1 4.17Å; V400-L409 HydrophobicContact CG1-CD1 4.48Å; V400-L409 WeakPolarHBondContact O-CB 3.3Å; V400-L409 PolarHBondContact O-N 2.61Å; N402-L409 HydrophobicContact CB-CD1 4.16Å; N402-L409 HydrophobicContact CB-CD2 4.13Å; N402-L409 HydrophobicContact CB-CG 4.33Å; K407-L409 HydrophobicContact CG-CD2 4.43Å; L409-N448 WeakPolarHBondContact O-CA 3.47Å; L409-N448 VanDerWaalsContact O-CB 3.27Å; L409-N448 WeakPolarHBondContact O-CB 3.39Å
410	A	97.8	Very high	97	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.033	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.9	-178.3	0	0	0	0	0	110.7	S399 V400 N448 L450	S399-A410 WeakPolarHBondContact CA-O 3.4Å; V400-A410 PolarHBondContact N-O 2.95Å; V400-A410 PolarHBondContact O-N 3.48Å; A410-N448 WeakPolarHBondContact CA-O 3.38Å; A410-N448 VanDerWaalsContact CB-O 3.29Å; A410-N448 WeakPolarHBondContact CB-O 3.05Å; A410-L450 HydrophobicContact CB-CD1 4.08Å; A410-L450 HydrophobicContact CB-CG 4.05Å
411	E	97.2	Very high	96.9	Very high	124 Å²	124	57.9 Å²	57.9	58%	0.579	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.9	168.7	57.7	177.1	-151.7	0	0	110.6	I397 L398 Q408	I397-E411 HydrophobicContact CG2-CB 4.21Å; L398-E411 CarbonylContact O-C 3.6Å; L398-E411 WeakPolarHBondContact O-CA 3.4Å; Q408-E411 PolarHBondContact NE2-OE2 2.87Å
412	V	98.2	Very high	96.9	Very high	39 Å²	39	57.4 Å²	57.4	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	149.3	173.9	72.1	0	0	0	0	110.5	L398 C414 W443 L450	L398-V412 HydrophobicContact CB-CG1 4.07Å; L398-V412 HydrophobicContact CD2-CG1 4.26Å; L398-V412 HydrophobicContact CG-CG1 4.43Å; L398-V412 PolarHBondContact N-O 2.96Å; L398-V412 PolarHBondContact O-N 2.81Å; V412-C414 PolarHBondContact O-N 3.27Å; V412-W443 HydrophobicContact CB-CZ3 4.36Å; V412-W443 HydrophobicContact CG1-CE3 3.88Å; V412-W443 HydrophobicContact CG1-CH2 4.03Å; V412-W443 HydrophobicContact CG1-CZ3 3.53Å; V412-W443 HydrophobicContact CG2-CH2 4.49Å; V412-W443 HydrophobicContact CG2-CZ3 3.89Å; V412-L450 HydrophobicContact CB-CB 4.15Å; V412-L450 HydrophobicContact CB-CD1 4.24Å; V412-L450 HydrophobicContact CG1-CB 3.8Å; V412-L450 HydrophobicContact CG1-CD1 3.64Å; V412-L450 HydrophobicContact CG1-CG 4.38Å
413	K	97.6	Very high	96.9	Very high	121 Å²	121	58.1 Å²	58.1	53%	0.526	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	114.3	166.5	-60.6	-171.9	174.5	-153.1	0	109.1	D395 I397	D395-K413 HydrophobicContact CB-CB 4.21Å; D395-K413 HydrophobicContact CB-CD 3.84Å; D395-K413 HydrophobicContact CB-CG 3.91Å; D395-K413 VanDerWaalsContact CG-NZ 3.27Å; D395-K413 IonicContact OD1-NZ 3.57Å; D395-K413 PolarHBondContact OD1-NZ 3.2Å; D395-K413 VanDerWaalsContact OD2-CE 3.25Å; D395-K413 WeakPolarHBondContact OD2-CE 3.36Å; D395-K413 IonicContact OD2-NZ 2.81Å; D395-K413 PolarHBondContact OD2-NZ 3.15Å; I397-K413 HydrophobicContact CD1-CG 3.92Å
414	C	96.8	Very high	96.9	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.287	C	S	.	.			trans	-74.5	-51.7	-177.7	-175.1	0	0	0	0	110.9	D395 H396 L398 V412 V419 T434 W443 K452	D395-C414 PolarHBondContact O-N 2.81Å; H396-C414 WeakPolarHBondContact O-CB 3.45Å; H396-C414 PolarHBondContact O-N 2.97Å; L398-C414 HydrophobicContact CB-CB 3.98Å; V412-C414 PolarHBondContact O-N 3.27Å; C414-V419 HydrophobicContact CB-CG2 4.13Å; C414-T434 PolarHBondContact SG-OG1 2.87Å; C414-W443 HydrophobicContact CB-CZ2 4.22Å; C414-W443 WeakPolarHBondContact O-CZ2 3.46Å; C414-K452 PolarHBondContact O-NZ 3.14Å
415	S	94.8	Very high	96.9	Very high	14 Å²	14	53.3 Å²	53.3	10%	0.098	27%	0.266	C	S	.	.			trans	-167.2	145.2	-165.5	-176	0	0	0	0	110.5	D395 H396 D417	D395-S415 CarbonylContact C-O 3.55Å; H396-S415 WeakPolarHBondContact CB-O 3.25Å; H396-S415 PolarHBondContact CD2-O 2.82Å; H396-S415 VanDerWaalsContact CD2-O 3.3Å; H396-S415 PolarHBondContact N-O 2.91Å; S415-D417 VanDerWaalsContact CB-O 3.23Å; S415-D417 WeakPolarHBondContact CB-O 3.45Å; S415-D417 PolarHBondContact OG-N 2.91Å; S415-D417 VanDerWaalsContact OG-N 3.1Å; S415-D417 PolarHBondContact OG-O 3.14Å
416	N	93.4	Very high	96.9	Very high	123 Å²	123	48 Å²	48	66%	0.658	25%	0.247	S	C	*	.	S	Bend	trans	-88.7	2	170.4	-55.6	15.6	0	0	0	111.9
417	D	94.6	Very high	96.8	Very high	61 Å²	61	47.8 Å²	47.8	33%	0.326	25%	0.247	S	C	.	.	S	Bend	trans	-123.4	145.9	-179.3	-88.5	-51.2	0	0	0	109	H396 S415 V419 K437	H396-D417 PolarHBondContact CD2-O 3.35Å; S415-D417 VanDerWaalsContact CB-O 3.23Å; S415-D417 WeakPolarHBondContact CB-O 3.45Å; S415-D417 PolarHBondContact OG-N 2.91Å; S415-D417 VanDerWaalsContact OG-N 3.1Å; S415-D417 PolarHBondContact OG-O 3.14Å; D417-V419 PolarHBondContact O-N 3.02Å; D417-K437 HydrophobicContact CB-CB 4.1Å; D417-K437 HydrophobicContact CB-CD 4.14Å; D417-K437 HydrophobicContact CB-CG 4.28Å; D417-K437 WeakPolarHBondContact OD1-CD 3.41Å; D417-K437 WeakPolarHBondContact OD1-CE 3.38Å; D417-K437 IonicContact OD1-NZ 3.82Å; D417-K437 PolarHBondContact OD1-NZ 2.88Å
418	S	93.6	Very high	96.7	Very high	55 Å²	55	44.6 Å²	44.6	39%	0.385	24%	0.237	S	C	.	.			trans	-44.7	119.4	-172.9	-48.2	0	0	0	0	114.2	G436 K437	S418-G436 WeakPolarHBondContact O-CA 3.45Å; S418-K437 PolarHBondContact O-N 3.35Å
419	V	97.4	Very high	96.6	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.9	168	-174.9	0	0	0	0	107.9	V390 H396 C414 D417	V390-V419 HydrophobicContact CG1-CB 4.11Å; V390-V419 HydrophobicContact CG1-CG1 4.25Å; V390-V419 HydrophobicContact CG1-CG2 4.2Å; V390-V419 HydrophobicContact CG2-CG1 4.47Å; H396-V419 HydrophobicContact CB-CG2 3.75Å; C414-V419 HydrophobicContact CB-CG2 4.13Å; D417-V419 PolarHBondContact O-N 3.02Å
420	L	97.2	Very high	96.5	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.094	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-29.1	-175.9	-57	-177.7	0	0	0	112.6	R280 C435 Y465 L467	R280-L420 WeakPolarHBondContact CD-O 3.46Å; L420-C435 PolarHBondContact N-O 3.13Å; L420-Y465 HydrophobicContact CD1-CD1 3.96Å; L420-L467 HydrophobicContact CD1-CD2 3.74Å
421	A	97.6	Very high	96.5	Very high	7 Å²	7	44 Å²	44	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.6	171.6	0	0	0	0	0	111.5	T434 C435 V469	A421-T434 VanDerWaalsContact O-CA 3.28Å; A421-T434 WeakPolarHBondContact O-CA 3.5Å; A421-C435 PolarHBondContact N-O 2.56Å; A421-C435 VanDerWaalsContact N-O 3.17Å; A421-C435 PolarHBondContact O-N 3.05Å; A421-V469 HydrophobicContact CB-CG1 4.02Å
422	A	98.1	Very high	96.5	Very high	4 Å²	4	38 Å²	38	3%	0.033	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.1	168.4	0	0	0	0	0	108.6	C375 S377 V390 V433 T434	C375-A422 HydrophobicContact CB-CB 3.81Å; S377-A422 VanDerWaalsContact CB-O 3.26Å; S377-A422 WeakPolarHBondContact CB-O 3.42Å; V390-A422 HydrophobicContact CG2-CB 3.57Å; A422-V433 WeakPolarHBondContact CA-O 3.33Å; A422-T434 HydrophobicContact CB-CG2 3.73Å
423	V	97.9	Very high	96.5	Very high	32 Å²	32	36.2 Å²	36.2	19%	0.194	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.9	-174.2	-66.3	0	0	0	0	111.6	I432 V433 V469 F471	V423-I432 CarbonylContact O-C 3.59Å; V423-I432 WeakPolarHBondContact O-CA 3.41Å; V423-V433 HydrophobicContact CG2-CB 4.25Å; V423-V433 PolarHBondContact N-O 3.31Å; V423-V433 PolarHBondContact O-N 3.13Å; V423-V469 HydrophobicContact CG1-CG1 4.4Å; V423-V469 HydrophobicContact CG2-CG1 3.52Å; V423-V469 HydrophobicContact CG2-CG2 4.21Å; V423-F471 HydrophobicContact CB-CE2 4.24Å; V423-F471 HydrophobicContact CG2-CE2 3.56Å; V423-F471 HydrophobicContact CG2-CZ 3.84Å
424	F	98.3	Very high	96.6	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	145.2	167.1	-81.2	-84.7	0	0	0	111.4	S377 S379 F386 C388 V400 T429 I432 F471	S377-F424 WeakPolarHBondContact O-CD2 3.45Å; S377-F424 WeakPolarHBondContact O-CE2 3.34Å; S379-F424 VanDerWaalsContact CA-CD2 3.49Å; F386-F424 HydrophobicContact CB-CE2 4.49Å; F386-F424 HydrophobicContact CB-CZ 3.97Å; C388-F424 HydrophobicContact CB-CD2 4.36Å; C388-F424 HydrophobicContact CB-CE2 3.61Å; C388-F424 HydrophobicContact CB-CZ 4.02Å; V400-F424 HydrophobicContact CG1-CZ 4.1Å; F424-T429 WeakPolarHBondContact CE1-O 3.43Å; F424-I432 HydrophobicContact CD1-CD1 4.33Å; F424-I432 HydrophobicContact CD1-CG1 3.56Å; F424-I432 HydrophobicContact CE1-CD1 3.72Å; F424-I432 HydrophobicContact CE1-CG1 3.45Å; F424-I432 VanDerWaalsContact CE1-CG1 3.45Å; F424-I432 HydrophobicContact CE2-CD1 4.46Å; F424-I432 HydrophobicContact CE2-CG1 4.45Å; F424-I432 HydrophobicContact CG-CG1 4.12Å; F424-I432 HydrophobicContact CZ-CD1 3.81Å; F424-I432 HydrophobicContact CZ-CG1 3.94Å; F424-F471 WeakPolarHBondContact O-CE2 3.18Å
425	H	97.7	Very high	96.6	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.023	17%	0.172	C	C	.	.			trans	-67.9	135	170.4	-179.4	-90.9	0	0	0	110.7	M427 D428 L431 F471 G475	H425-M427 VanDerWaalsContact C-N 3.28Å; H425-M427 PolarHBondContact ND1-N 2.78Å; H425-M427 PolarHBondContact O-N 3.1Å; H425-D428 HydrophobicContact CB-CB 4.3Å; H425-D428 WeakPolarHBondContact ND1-CB 3.35Å; H425-D428 PolarHBondContact ND1-N 3.08Å; H425-D428 VanDerWaalsContact ND1-N 3.13Å; H425-D428 PolarHBondContact O-N 2.95Å; H425-D428 VanDerWaalsContact O-O 3.08Å; H425-L431 HydrophobicContact CB-CB 3.86Å; H425-L431 HydrophobicContact CB-CD2 3.92Å; H425-L431 HydrophobicContact CB-CG 3.92Å; H425-L431 WeakPolarHBondContact CB-O 3.34Å; H425-L431 PolarHBondContact N-O 2.8Å; H425-F471 HydrophobicContact CB-CE1 4.3Å; H425-F471 HydrophobicContact CB-CZ 4.32Å; H425-F471 AromaticContact CD2-CD1 3.83Å; H425-F471 AromaticContact CD2-CE1 3.62Å; H425-G475 PolarHBondContact NE2-O 3.15Å
426	P	96.4	Very high	96.8	Very high	46 Å²	46	29.7 Å²	29.7	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.4	-170.6	23	-34.3	0	0	0	113.5	S381 F471	S381-P426 WeakPolarHBondContact CB-O 3.27Å; S381-P426 PolarHBondContact N-O 2.87Å; P426-F471 VanDerWaalsContact CD-CD2 3.48Å; P426-F471 HydrophobicContact CG-CB 3.66Å; P426-F471 HydrophobicContact CG-CD1 4.41Å; P426-F471 HydrophobicContact CG-CD2 4.25Å; P426-F471 HydrophobicContact CG-CG 3.88Å
427	M	95.8	Very high	96.9	Very high	101 Å²	101	27.2 Å²	27.2	50%	0.498	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	3.9	-176.2	-36.7	177.2	87	0	0	114.3	H425 K491	H425-M427 VanDerWaalsContact C-N 3.28Å; H425-M427 PolarHBondContact ND1-N 2.78Å; H425-M427 PolarHBondContact O-N 3.1Å; M427-K491 HydrophobicContact SD-CD 4.33Å; M427-K491 PolarHBondContact SD-NZ 3.42Å
428	D	95.4	Very high	96.7	Very high	62 Å²	62	26.5 Å²	26.5	33%	0.332	15%	0.15	S	C	.	.			trans	-142.3	115.9	-176.6	-176.4	-17	0	0	0	109.4	S381 H425 N430 L431	S381-D428 VanDerWaalsContact OG-C 3.29Å; H425-D428 HydrophobicContact CB-CB 4.3Å; H425-D428 WeakPolarHBondContact ND1-CB 3.35Å; H425-D428 PolarHBondContact ND1-N 3.08Å; H425-D428 VanDerWaalsContact ND1-N 3.13Å; H425-D428 PolarHBondContact O-N 2.95Å; H425-D428 VanDerWaalsContact O-O 3.08Å; D428-N430 VanDerWaalsContact C-N 3.27Å; D428-N430 PolarHBondContact O-N 3.01Å; D428-N430 PolarHBondContact OD1-N 3.37Å; D428-L431 HydrophobicContact CB-CB 3.94Å; D428-L431 PolarHBondContact OD1-N 3.09Å
429	T	94.8	Very high	96.7	Very high	32 Å²	32	24.4 Å²	24.4	20%	0.196	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.8	-173.2	-173.5	0	0	0	0	113.5	S381 N382 F424	S381-T429 VanDerWaalsContact OG-CA 3.3Å; S381-T429 WeakPolarHBondContact OG-CA 3.46Å; S381-T429 WeakPolarHBondContact OG-CB 3.34Å; S381-T429 PolarHBondContact OG-N 2.9Å; N382-T429 PolarHBondContact ND2-OG1 3.43Å; F424-T429 WeakPolarHBondContact CE1-O 3.43Å
430	N	95.4	Very high	96.7	Very high	60 Å²	60	24.1 Å²	24.1	32%	0.321	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-10.2	-178.4	-65.5	-30.4	0	0	0	111.8	D428 T444 M445	D428-N430 VanDerWaalsContact C-N 3.27Å; D428-N430 PolarHBondContact O-N 3.01Å; D428-N430 PolarHBondContact OD1-N 3.37Å; N430-T444 CarbonylContact O-C 3.59Å; N430-T444 WeakPolarHBondContact O-CA 3.38Å; N430-M445 HydrophobicContact CB-CB 4.22Å; N430-M445 PolarHBondContact O-N 2.81Å
431	L	97.4	Very high	96.8	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.2	-179.1	-176.8	60.2	0	0	0	111.4	H425 D428 F442 W443	H425-L431 HydrophobicContact CB-CB 3.86Å; H425-L431 HydrophobicContact CB-CD2 3.92Å; H425-L431 HydrophobicContact CB-CG 3.92Å; H425-L431 WeakPolarHBondContact CB-O 3.34Å; H425-L431 PolarHBondContact N-O 2.8Å; D428-L431 HydrophobicContact CB-CB 3.94Å; D428-L431 PolarHBondContact OD1-N 3.09Å; L431-F442 HydrophobicContact CD1-CB 4.12Å; L431-W443 WeakPolarHBondContact CA-O 3.11Å
432	I	98.3	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135	172.5	-61.1	164.8	0	0	0	108.3	C388 L398 V400 V423 F424 T434 W443 L450	C388-I432 HydrophobicContact CB-CD1 3.89Å; L398-I432 HydrophobicContact CD1-CG2 4.43Å; L398-I432 HydrophobicContact CD2-CG2 4.38Å; V400-I432 HydrophobicContact CG2-CD1 3.47Å; V400-I432 VanDerWaalsContact CG2-CD1 3.47Å; V423-I432 CarbonylContact O-C 3.59Å; V423-I432 WeakPolarHBondContact O-CA 3.41Å; F424-I432 HydrophobicContact CD1-CD1 4.33Å; F424-I432 HydrophobicContact CD1-CG1 3.56Å; F424-I432 HydrophobicContact CE1-CD1 3.72Å; F424-I432 HydrophobicContact CE1-CG1 3.45Å; F424-I432 VanDerWaalsContact CE1-CG1 3.45Å; F424-I432 HydrophobicContact CE2-CD1 4.46Å; F424-I432 HydrophobicContact CE2-CG1 4.45Å; F424-I432 HydrophobicContact CG-CG1 4.12Å; F424-I432 HydrophobicContact CZ-CD1 3.81Å; F424-I432 HydrophobicContact CZ-CG1 3.94Å; I432-T434 HydrophobicContact CG2-CG2 4.2Å; I432-W443 HydrophobicContact CB-CB 4.34Å; I432-W443 PolarHBondContact N-O 2.91Å; I432-W443 PolarHBondContact O-N 2.94Å; I432-L450 HydrophobicContact CD1-CD2 4.34Å
433	V	98.5	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.9	171.2	-174.2	0	0	0	0	108.6	A422 V423 I440 N441 F442 V469 F471	A422-V433 WeakPolarHBondContact CA-O 3.33Å; V423-V433 HydrophobicContact CG2-CB 4.25Å; V423-V433 PolarHBondContact N-O 3.31Å; V423-V433 PolarHBondContact O-N 3.13Å; V433-I440 HydrophobicContact CG1-CD1 4.28Å; V433-I440 HydrophobicContact CG1-CG1 4.01Å; V433-N441 WeakPolarHBondContact CA-O 3.35Å; V433-F442 HydrophobicContact CG1-CE1 4.32Å; V433-F442 HydrophobicContact CG2-CD1 3.73Å; V433-F442 HydrophobicContact CG2-CE1 3.88Å; V433-V469 HydrophobicContact CG1-CG2 4.19Å; V433-F471 HydrophobicContact CB-CZ 4.3Å; V433-F471 HydrophobicContact CG2-CE1 4Å; V433-F471 HydrophobicContact CG2-CZ 3.82Å
434	T	98.5	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.8	167.9	70.2	0	0	0	0	110.6	L398 C414 A421 A422 I432 I440 N441 W443	L398-T434 HydrophobicContact CD2-CG2 4.08Å; C414-T434 PolarHBondContact SG-OG1 2.87Å; A421-T434 VanDerWaalsContact O-CA 3.28Å; A421-T434 WeakPolarHBondContact O-CA 3.5Å; A422-T434 HydrophobicContact CB-CG2 3.73Å; I432-T434 HydrophobicContact CG2-CG2 4.2Å; T434-I440 CarbonylContact O-C 3.56Å; T434-I440 WeakPolarHBondContact O-CA 3.4Å; T434-N441 PolarHBondContact N-O 3.21Å; T434-N441 PolarHBondContact O-N 2.85Å; T434-W443 PolarHBondContact OG1-NE1 3Å
435	C	98.1	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.2	177.9	74.5	0	0	0	0	111.6	L420 A421 H439 I440 V466	L420-C435 PolarHBondContact N-O 3.13Å; A421-C435 PolarHBondContact N-O 2.56Å; A421-C435 VanDerWaalsContact N-O 3.17Å; A421-C435 PolarHBondContact O-N 3.05Å; C435-H439 WeakPolarHBondContact CA-O 3.49Å; C435-I440 HydrophobicContact CB-CB 4.33Å; C435-I440 HydrophobicContact CB-CG1 4.25Å; C435-V466 HydrophobicContact CB-CB 3.94Å; C435-V466 HydrophobicContact CB-CG1 3.68Å
436	G	97.4	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-145.3	178	0	0	0	0	0	113	S418 S438 H439 V466	S418-G436 WeakPolarHBondContact O-CA 3.45Å; G436-S438 PolarHBondContact O-N 2.94Å; G436-H439 PolarHBondContact N-O 3Å; G436-H439 PolarHBondContact O-N 2.76Å; G436-V466 VanDerWaalsContact CA-O 3.27Å; G436-V466 WeakPolarHBondContact CA-O 3.4Å; G436-V466 PolarHBondContact N-O 2.85Å; G436-V466 PolarHBondContact O-N 3.09Å
437	K	96.4	Very high	96.3	Very high	71 Å²	71	30.2 Å²	30.2	31%	0.309	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-59.4	120.8	179.3	-177	178.9	167.4	-153.1	0	110.2	D417 S418 H439 Y465	D417-K437 HydrophobicContact CB-CB 4.1Å; D417-K437 HydrophobicContact CB-CD 4.14Å; D417-K437 HydrophobicContact CB-CG 4.28Å; D417-K437 WeakPolarHBondContact OD1-CD 3.41Å; D417-K437 WeakPolarHBondContact OD1-CE 3.38Å; D417-K437 IonicContact OD1-NZ 3.82Å; D417-K437 PolarHBondContact OD1-NZ 2.88Å; S418-K437 PolarHBondContact O-N 3.35Å; K437-H439 PolarHBondContact O-N 3.46Å; K437-H439 PolarHBondContact O-ND1 2.97Å; K437-Y465 VanDerWaalsContact CA-CD1 3.42Å; K437-Y465 HydrophobicContact CB-CD1 3.55Å; K437-Y465 HydrophobicContact CB-CE1 3.45Å; K437-Y465 VanDerWaalsContact CB-CE1 3.45Å; K437-Y465 HydrophobicContact CD-CE1 4.01Å; K437-Y465 HydrophobicContact CG-CD1 4.04Å; K437-Y465 HydrophobicContact CG-CE1 3.65Å
438	S	90.5	Very high	96.1	Very high	45 Å²	45	31.5 Å²	31.5	32%	0.315	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	22.3	178.5	-64.8	0	0	0	0	116	G436 K462 K464	G436-S438 PolarHBondContact O-N 2.94Å; S438-K462 WeakPolarHBondContact O-CE 3.31Å; S438-K462 PolarHBondContact O-NZ 3.3Å; S438-K464 PolarHBondContact N-O 3.43Å
439	H	94.2	Very high	96.2	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.051	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.1	-179.9	75.8	-92	0	0	0	115.2	C435 G436 K437 N441	C435-H439 WeakPolarHBondContact CA-O 3.49Å; G436-H439 PolarHBondContact N-O 3Å; G436-H439 PolarHBondContact O-N 2.76Å; K437-H439 PolarHBondContact O-N 3.46Å; K437-H439 PolarHBondContact O-ND1 2.97Å; H439-N441 PolarHBondContact CD2-ND2 2.93Å
440	I	97.4	Very high	96.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.5	155.1	-177.5	-174.8	0	0	0	106.1	V433 T434 C435 F442 G455 F457 V466 T479 W489	V433-I440 HydrophobicContact CG1-CD1 4.28Å; V433-I440 HydrophobicContact CG1-CG1 4.01Å; T434-I440 CarbonylContact O-C 3.56Å; T434-I440 WeakPolarHBondContact O-CA 3.4Å; C435-I440 HydrophobicContact CB-CB 4.33Å; C435-I440 HydrophobicContact CB-CG1 4.25Å; I440-F442 HydrophobicContact CD1-CE2 4.02Å; I440-F442 HydrophobicContact CD1-CZ 3.83Å; I440-F442 HydrophobicContact CG1-CE2 4.19Å; I440-F442 HydrophobicContact CG1-CZ 4.37Å; I440-G455 PolarHBondContact O-N 3.48Å; I440-F457 HydrophobicContact CG2-CE2 3.98Å; I440-F457 HydrophobicContact CG2-CZ 4.19Å; I440-V466 HydrophobicContact CB-CG2 4.41Å; I440-T479 HydrophobicContact CD1-CG2 3.67Å; I440-W489 HydrophobicContact CD1-CD2 4.05Å; I440-W489 HydrophobicContact CD1-CG 4.34Å; I440-W489 HydrophobicContact CD1-CZ2 3.98Å; I440-W489 HydrophobicContact CG2-CH2 3.71Å; I440-W489 HydrophobicContact CG2-CZ2 3.71Å; I440-W489 HydrophobicContact CG2-CZ3 4.35Å
441	N	97.8	Very high	96.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.2	-173.7	-61.3	-50	0	0	0	109.9	V433 T434 H439 W443 K452	V433-N441 WeakPolarHBondContact CA-O 3.35Å; T434-N441 PolarHBondContact N-O 3.21Å; T434-N441 PolarHBondContact O-N 2.85Å; H439-N441 PolarHBondContact CD2-ND2 2.93Å; N441-W443 HydrophobicContact CB-CZ2 4.07Å; N441-K452 WeakPolarHBondContact OD1-CE 3.27Å
442	F	98.1	Very high	96.3	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111	175.6	-61.1	-93.7	0	0	0	107.8	L431 V433 I440 R453 A477 W489 N494	L431-F442 HydrophobicContact CD1-CB 4.12Å; V433-F442 HydrophobicContact CG1-CE1 4.32Å; V433-F442 HydrophobicContact CG2-CD1 3.73Å; V433-F442 HydrophobicContact CG2-CE1 3.88Å; I440-F442 HydrophobicContact CD1-CE2 4.02Å; I440-F442 HydrophobicContact CD1-CZ 3.83Å; I440-F442 HydrophobicContact CG1-CE2 4.19Å; I440-F442 HydrophobicContact CG1-CZ 4.37Å; F442-R453 HydrophobicContact CB-CB 4.3Å; F442-R453 PolarHBondContact N-O 3.47Å; F442-R453 PolarHBondContact O-N 3.49Å; F442-A477 HydrophobicContact CE1-CB 4.4Å; F442-W489 HydrophobicContact CE2-CD2 4.45Å; F442-W489 HydrophobicContact CE2-CE3 4.17Å; F442-W489 HydrophobicContact CZ-CB 3.91Å; F442-W489 HydrophobicContact CZ-CD2 4.1Å; F442-W489 HydrophobicContact CZ-CE3 4.21Å; F442-W489 AromaticContact CZ-CG 3.99Å; F442-W489 HydrophobicContact CZ-CG 3.99Å; F442-N494 HydrophobicContact CD2-CB 4.02Å; F442-N494 HydrophobicContact CE2-CB 4.36Å
443	W	98.1	Very high	96.3	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.8	-176.3	-54.8	87.5	0	0	0	110.1	L398 V412 C414 L431 I432 T434 N441 L450 T451 K452	L398-W443 HydrophobicContact CD2-CB 4.42Å; L398-W443 HydrophobicContact CD2-CD2 3.98Å; L398-W443 HydrophobicContact CD2-CG 3.86Å; V412-W443 HydrophobicContact CB-CZ3 4.36Å; V412-W443 HydrophobicContact CG1-CE3 3.88Å; V412-W443 HydrophobicContact CG1-CH2 4.03Å; V412-W443 HydrophobicContact CG1-CZ3 3.53Å; V412-W443 HydrophobicContact CG2-CH2 4.49Å; V412-W443 HydrophobicContact CG2-CZ3 3.89Å; C414-W443 HydrophobicContact CB-CZ2 4.22Å; C414-W443 WeakPolarHBondContact O-CZ2 3.46Å; L431-W443 WeakPolarHBondContact CA-O 3.11Å; I432-W443 HydrophobicContact CB-CB 4.34Å; I432-W443 PolarHBondContact N-O 2.91Å; I432-W443 PolarHBondContact O-N 2.94Å; T434-W443 PolarHBondContact OG1-NE1 3Å; N441-W443 HydrophobicContact CB-CZ2 4.07Å; W443-L450 HydrophobicContact CB-CD2 4.37Å; W443-L450 HydrophobicContact CE3-CB 4.21Å; W443-T451 VanDerWaalsContact CA-O 3.3Å; W443-T451 WeakPolarHBondContact CA-O 3.37Å; W443-K452 HydrophobicContact CE3-CB 3.81Å; W443-K452 HydrophobicContact CE3-CG 4.2Å; W443-K452 HydrophobicContact CH2-CB 4.13Å; W443-K452 HydrophobicContact CH2-CD 3.62Å; W443-K452 HydrophobicContact CH2-CG 3.92Å; W443-K452 HydrophobicContact CZ2-CD 4.07Å; W443-K452 HydrophobicContact CZ2-CG 4.2Å; W443-K452 HydrophobicContact CZ3-CB 3.6Å; W443-K452 HydrophobicContact CZ3-CD 3.99Å; W443-K452 HydrophobicContact CZ3-CG 3.91Å
444	T	97.2	Very high	96.2	Very high	30 Å²	30	43 Å²	43	18%	0.184	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.6	172.2	-50.9	0	0	0	0	109.4	N430 E446 L450 T451	N430-T444 CarbonylContact O-C 3.59Å; N430-T444 WeakPolarHBondContact O-CA 3.38Å; T444-E446 HydrophobicContact CG2-CG 4.26Å; T444-L450 WeakPolarHBondContact O-CA 3.2Å; T444-T451 WeakPolarHBondContact CB-OG1 3.21Å; T444-T451 PolarHBondContact N-O 2.94Å; T444-T451 PolarHBondContact O-N 2.78Å; T444-T451 PolarHBondContact O-OG1 3.12Å
445	M	96.1	Very high	96	Very high	13 Å²	13	43.4 Å²	43.4	6%	0.064	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.6	174.8	-170.6	175.5	64.9	0	0	110.7	F386 V400 N430 A449 L450	F386-M445 HydrophobicContact CD2-CE 3.89Å; F386-M445 HydrophobicContact CE2-CE 3.63Å; F386-M445 HydrophobicContact CZ-CE 4.28Å; V400-M445 HydrophobicContact CB-SD 4.11Å; V400-M445 HydrophobicContact CG1-SD 3.76Å; V400-M445 HydrophobicContact CG2-SD 4.36Å; N430-M445 HydrophobicContact CB-CB 4.22Å; N430-M445 PolarHBondContact O-N 2.81Å; M445-A449 WeakPolarHBondContact CA-O 3.36Å; M445-L450 HydrophobicContact CB-CD2 3.81Å; M445-L450 HydrophobicContact CG-CD2 4.16Å
446	E	94.6	Very high	95.9	Very high	118 Å²	118	46.3 Å²	46.3	55%	0.551	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	99.9	179.3	-71.2	173.7	-143.5	0	0	108.6	T444 N448 A449 T451	T444-E446 HydrophobicContact CG2-CG 4.26Å; E446-N448 PolarHBondContact O-N 2.85Å; E446-A449 PolarHBondContact N-O 2.9Å; E446-A449 PolarHBondContact O-N 3Å; E446-T451 PolarHBondContact OE1-OG1 2.75Å
447	G	91.5	Very high	95.6	Very high	71 Å²	71	47.1 Å²	47.1	73%	0.732	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-105.7	-174.4	0	0	0	0	0	112
448	N	93.2	Very high	95.2	Very high	128 Å²	128	49.3 Å²	49.3	68%	0.684	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	7.6	177	68.5	-28.2	0	0	0	113.5	L409 A410 E446	L409-N448 WeakPolarHBondContact O-CA 3.47Å; L409-N448 VanDerWaalsContact O-CB 3.27Å; L409-N448 WeakPolarHBondContact O-CB 3.39Å; A410-N448 WeakPolarHBondContact CA-O 3.38Å; A410-N448 VanDerWaalsContact CB-O 3.29Å; A410-N448 WeakPolarHBondContact CB-O 3.05Å; E446-N448 PolarHBondContact O-N 2.85Å
449	A	95.9	Very high	95.1	Very high	45 Å²	45	55.4 Å²	55.4	37%	0.372	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.9	-179.8	0	0	0	0	0	111.7	M445 E446	M445-A449 WeakPolarHBondContact CA-O 3.36Å; E446-A449 PolarHBondContact N-O 2.9Å; E446-A449 PolarHBondContact O-N 3Å
450	L	98	Very high	94.8	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111	174.6	-73.3	161.8	0	0	0	109.2	L398 V400 A410 V412 I432 W443 T444 M445	L398-L450 HydrophobicContact CD2-CD1 4.17Å; L398-L450 HydrophobicContact CG-CD1 4.15Å; V400-L450 HydrophobicContact CG2-CD1 4.18Å; V400-L450 HydrophobicContact CG2-CD2 4.31Å; A410-L450 HydrophobicContact CB-CD1 4.08Å; A410-L450 HydrophobicContact CB-CG 4.05Å; V412-L450 HydrophobicContact CB-CB 4.15Å; V412-L450 HydrophobicContact CB-CD1 4.24Å; V412-L450 HydrophobicContact CG1-CB 3.8Å; V412-L450 HydrophobicContact CG1-CD1 3.64Å; V412-L450 HydrophobicContact CG1-CG 4.38Å; I432-L450 HydrophobicContact CD1-CD2 4.34Å; W443-L450 HydrophobicContact CB-CD2 4.37Å; W443-L450 HydrophobicContact CE3-CB 4.21Å; T444-L450 WeakPolarHBondContact O-CA 3.2Å; M445-L450 HydrophobicContact CB-CD2 3.81Å; M445-L450 HydrophobicContact CG-CD2 4.16Å
451	T	96.9	Very high	94.3	Very high	56 Å²	56	65.9 Å²	65.9	34%	0.344	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.8	-178.8	62.7	0	0	0	0	110.6	W443 T444 E446	W443-T451 VanDerWaalsContact CA-O 3.3Å; W443-T451 WeakPolarHBondContact CA-O 3.37Å; T444-T451 WeakPolarHBondContact CB-OG1 3.21Å; T444-T451 PolarHBondContact N-O 2.94Å; T444-T451 PolarHBondContact O-N 2.78Å; T444-T451 PolarHBondContact O-OG1 3.12Å; E446-T451 PolarHBondContact OE1-OG1 2.75Å
452	K	96.4	Very high	93.9	Very high	105 Å²	105	70.8 Å²	70.8	46%	0.457	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.4	-172.1	-173.9	177.1	-176.9	156.2	0	112.3	C414 N441 W443	C414-K452 PolarHBondContact O-NZ 3.14Å; N441-K452 WeakPolarHBondContact OD1-CE 3.27Å; W443-K452 HydrophobicContact CE3-CB 3.81Å; W443-K452 HydrophobicContact CE3-CG 4.2Å; W443-K452 HydrophobicContact CH2-CB 4.13Å; W443-K452 HydrophobicContact CH2-CD 3.62Å; W443-K452 HydrophobicContact CH2-CG 3.92Å; W443-K452 HydrophobicContact CZ2-CD 4.07Å; W443-K452 HydrophobicContact CZ2-CG 4.2Å; W443-K452 HydrophobicContact CZ3-CB 3.6Å; W443-K452 HydrophobicContact CZ3-CD 3.99Å; W443-K452 HydrophobicContact CZ3-CG 3.91Å
453	R	96.7	Very high	93.7	Very high	86 Å²	86	70.7 Å²	70.7	33%	0.325	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.9	163.8	-63.7	-175.1	-69	156.1	-0.3	109.5	F442 G492 N494	F442-R453 HydrophobicContact CB-CB 4.3Å; F442-R453 PolarHBondContact N-O 3.47Å; F442-R453 PolarHBondContact O-N 3.49Å; R453-G492 PolarHBondContact NH1-O 3.44Å; R453-N494 HydrophobicContact CB-CB 4.47Å
454	Q	96.1	Very high	93.6	Very high	96 Å²	96	76.5 Å²	76.5	45%	0.449	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.8	178.3	-173.3	169.5	13	0	0	110.8	N494	Q454-N494 PolarHBondContact O-ND2 3.45Å
455	G	96.3	Very high	93.6	Very high	7 Å²	7	78.4 Å²	78.4	7%	0.072	39%	0.391	C	S	.	.			trans	-69.2	135.3	173.9	0	0	0	0	0	112.4	I440 N494	I440-G455 PolarHBondContact O-N 3.48Å; G455-N494 CarbonylContact C-O 3.57Å; G455-N494 WeakPolarHBondContact CA-O 3.41Å
456	L	94.9	Very high	93.7	Very high	62 Å²	62	77.9 Å²	77.9	33%	0.325	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-103	112.3	-177.5	-57.7	176.2	0	0	0	109.8	E458 N494 R495	L456-E458 VanDerWaalsContact C-N 3.28Å; L456-E458 HydrophobicContact CB-CG 4.19Å; L456-N494 PolarHBondContact N-O 2.9Å; L456-R495 HydrophobicContact CB-CG 4.2Å; L456-R495 HydrophobicContact CD1-CG 4.05Å
457	F	91.9	Very high	93.9	Very high	17 Å²	17	72.9 Å²	72.9	8%	0.075	37%	0.366	C	S	.	.			trans	-76.7	-16.3	175	-72.1	-96.7	0	0	0	113	I440 K459 H460 K462 P463 V466 Y487 W489 I496	I440-F457 HydrophobicContact CG2-CE2 3.98Å; I440-F457 HydrophobicContact CG2-CZ 4.19Å; F457-K459 PolarHBondContact O-N 3.09Å; F457-H460 WeakPolarHBondContact O-CB 3.5Å; F457-H460 PolarHBondContact O-CD2 3.24Å; F457-H460 PolarHBondContact O-N 2.88Å; F457-K462 HydrophobicContact CD2-CG 4.11Å; F457-K462 HydrophobicContact CE2-CG 4.31Å; F457-P463 HydrophobicContact CE1-CG 3.81Å; F457-P463 HydrophobicContact CZ-CG 3.96Å; F457-V466 HydrophobicContact CZ-CG2 3.97Å; F457-Y487 HydrophobicContact CD1-CE1 4.35Å; F457-Y487 HydrophobicContact CE1-CD2 4.12Å; F457-Y487 HydrophobicContact CE1-CE1 4.44Å; F457-Y487 AromaticContact CE1-CE2 3.88Å; F457-Y487 HydrophobicContact CE1-CE2 3.88Å; F457-Y487 HydrophobicContact CE1-CG 4.49Å; F457-W489 HydrophobicContact CD1-CH2 4.29Å; F457-W489 HydrophobicContact CD2-CH2 4.05Å; F457-W489 HydrophobicContact CE1-CH2 4.04Å; F457-W489 AromaticContact CE1-CZ2 3.94Å; F457-W489 HydrophobicContact CE1-CZ2 3.94Å; F457-W489 AromaticContact CE2-CH2 3.8Å; F457-W489 HydrophobicContact CE2-CH2 3.8Å; F457-W489 HydrophobicContact CE2-CZ2 4.22Å; F457-W489 HydrophobicContact CG-CH2 4.29Å; F457-W489 AromaticContact CZ-CH2 3.79Å; F457-W489 HydrophobicContact CZ-CH2 3.79Å; F457-W489 AromaticContact CZ-CZ2 3.75Å; F457-W489 HydrophobicContact CZ-CZ2 3.75Å; F457-I496 HydrophobicContact CB-CD1 4.24Å; F457-I496 HydrophobicContact CD1-CD1 3.75Å; F457-I496 HydrophobicContact CE1-CD1 4.39Å; F457-I496 HydrophobicContact CG-CD1 4.21Å
458	E	87.2	Confident	94.2	Very high	117 Å²	117	69.8 Å²	69.8	55%	0.547	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-101.9	177.5	-58.3	-173.5	161.9	0	0	113.9	L456 R495	L456-E458 VanDerWaalsContact C-N 3.28Å; L456-E458 HydrophobicContact CB-CG 4.19Å; E458-R495 VanDerWaalsContact OE1-CD 3.24Å; E458-R495 WeakPolarHBondContact OE1-CD 3.25Å; E458-R495 IonicContact OE1-CZ 2.89Å; E458-R495 IonicContact OE1-NE 3.06Å; E458-R495 IonicContact OE1-NH1 3.94Å; E458-R495 PolarHBondContact OE1-NH1 2.91Å
459	K	87.8	Confident	94.4	Very high	173 Å²	173	64.6 Å²	64.6	75%	0.752	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9	-178	66.2	-169.1	175.8	-172	0	113.5	F457	F457-K459 PolarHBondContact O-N 3.09Å
460	H	88.3	Confident	94.5	Very high	56 Å²	56	63 Å²	63	26%	0.259	29%	0.293	S	S	.	.	S	Bend	trans	-93.1	142.4	179.9	-60	-76.1	0	0	0	110	F457 K462 Y487 I496 V499	F457-H460 WeakPolarHBondContact O-CB 3.5Å; F457-H460 PolarHBondContact O-CD2 3.24Å; F457-H460 PolarHBondContact O-N 2.88Å; H460-K462 PolarHBondContact O-N 3.1Å; H460-Y487 HydrophobicContact CB-CE1 4.22Å; H460-I496 HydrophobicContact CB-CD1 4.37Å; H460-V499 VanDerWaalsContact CE1-CG2 3.46Å; H460-V499 WeakPolarHBondContact CE1-CG2 3.38Å
461	E	87.1	Confident	94.4	Very high	175 Å²	175	63.9 Å²	63.9	82%	0.818	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-60.3	137.8	173.4	-172.4	173.2	-177	0	0	110	P463	E461-P463 WeakPolarHBondContact O-CD 3.42Å
462	K	90.1	Very high	94.4	Very high	104 Å²	104	62.1 Å²	62.1	45%	0.452	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-80.9	118.9	-178.6	-176.8	-175.7	175.4	-172.5	0	109.3	S438 F457 H460	S438-K462 WeakPolarHBondContact O-CE 3.31Å; S438-K462 PolarHBondContact O-NZ 3.3Å; F457-K462 HydrophobicContact CD2-CG 4.11Å; F457-K462 HydrophobicContact CE2-CG 4.31Å; H460-K462 PolarHBondContact O-N 3.1Å
463	P	93.8	Very high	94.2	Very high	6 Å²	6	63.5 Å²	63.5	4%	0.039	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-70.3	154.8	-177.3	29.2	-35.7	0	0	0	112.7	F457 E461 Y465 V466 D481 Y487	F457-P463 HydrophobicContact CE1-CG 3.81Å; F457-P463 HydrophobicContact CZ-CG 3.96Å; E461-P463 WeakPolarHBondContact O-CD 3.42Å; P463-Y465 VanDerWaalsContact C-N 3.31Å; P463-Y465 PolarHBondContact O-N 2.83Å; P463-V466 HydrophobicContact CG-CG2 4.11Å; P463-D481 HydrophobicContact CB-CB 3.65Å; P463-D481 WeakPolarHBondContact CB-OD2 3.39Å; P463-D481 HydrophobicContact CG-CB 3.74Å; P463-Y487 HydrophobicContact CG-CE2 4.34Å
464	K	95.3	Very high	94.1	Very high	126 Å²	126	63.6 Å²	63.6	55%	0.548	30%	0.302	S	S	.	.	S	Bend	trans	-61.6	-39.4	176.7	-169.4	-177.3	-178	179	0	111.4	S438 S482	S438-K464 PolarHBondContact N-O 3.43Å; K464-S482 PolarHBondContact N-OG 3.05Å
465	Y	97.7	Very high	94	Very high	71 Å²	71	59 Å²	59	28%	0.278	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-136.5	142.9	171.4	-58.7	-96.4	0	0	0	110.9	L420 K437 P463 L467 D481 S482	L420-Y465 HydrophobicContact CD1-CD1 3.96Å; K437-Y465 VanDerWaalsContact CA-CD1 3.42Å; K437-Y465 HydrophobicContact CB-CD1 3.55Å; K437-Y465 HydrophobicContact CB-CE1 3.45Å; K437-Y465 VanDerWaalsContact CB-CE1 3.45Å; K437-Y465 HydrophobicContact CD-CE1 4.01Å; K437-Y465 HydrophobicContact CG-CD1 4.04Å; K437-Y465 HydrophobicContact CG-CE1 3.65Å; P463-Y465 VanDerWaalsContact C-N 3.31Å; P463-Y465 PolarHBondContact O-N 2.83Å; Y465-L467 HydrophobicContact CG-CD2 4.28Å; Y465-D481 CarbonylContact O-C 3.59Å; Y465-D481 WeakPolarHBondContact O-CA 3.46Å; Y465-S482 PolarHBondContact N-OG 3.08Å; Y465-S482 PolarHBondContact O-N 3.32Å; Y465-S482 PolarHBondContact O-OG 3.36Å
466	V	98.3	Very high	94	Very high	1 Å²	1	60 Å²	60	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.2	155.8	-176.1	0	0	0	0	106	C435 G436 I440 F457 P463 T479	C435-V466 HydrophobicContact CB-CB 3.94Å; C435-V466 HydrophobicContact CB-CG1 3.68Å; G436-V466 VanDerWaalsContact CA-O 3.27Å; G436-V466 WeakPolarHBondContact CA-O 3.4Å; G436-V466 PolarHBondContact N-O 2.85Å; G436-V466 PolarHBondContact O-N 3.09Å; I440-V466 HydrophobicContact CB-CG2 4.41Å; F457-V466 HydrophobicContact CZ-CG2 3.97Å; P463-V466 HydrophobicContact CG-CG2 4.11Å; V466-T479 HydrophobicContact CG1-CG2 4.04Å
467	L	97.9	Very high	94.2	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-32.6	-162.3	-70.8	177.3	0	0	0	113.5	L420 Y465 G480 D481 I508 F509	L420-L467 HydrophobicContact CD1-CD2 3.74Å; Y465-L467 HydrophobicContact CG-CD2 4.28Å; L467-G480 PolarHBondContact N-O 2.98Å; L467-D481 WeakPolarHBondContact CD1-O 3.28Å; L467-I508 VanDerWaalsContact CB-O 3.24Å; L467-I508 WeakPolarHBondContact CB-O 3.17Å; L467-F509 HydrophobicContact CB-CD1 4.44Å; L467-F509 HydrophobicContact CD1-CD1 3.86Å; L467-F509 HydrophobicContact CD1-CE1 3.81Å; L467-F509 HydrophobicContact CD1-CG 4.27Å; L467-F509 HydrophobicContact CD1-CZ 4.15Å; L467-F509 HydrophobicContact CD2-CD1 4.17Å; L467-F509 HydrophobicContact CD2-CE1 3.83Å; L467-F509 HydrophobicContact CG-CD1 4.4Å; L467-F509 HydrophobicContact CG-CE1 4.39Å
468	C	97.9	Very high	94.5	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.034	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.7	-178	59.6	0	0	0	0	111.7	T479 G480 I508 F509	C468-T479 VanDerWaalsContact O-CA 3.3Å; C468-T479 WeakPolarHBondContact O-CA 3.26Å; C468-T479 WeakPolarHBondContact O-CB 3.24Å; C468-G480 PolarHBondContact O-N 2.72Å; C468-I508 PolarHBondContact SG-O 2.85Å; C468-F509 WeakPolarHBondContact CB-O 3.21Å
469	V	98	Very high	95	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	136.5	175.9	53.7	0	0	0	0	110.5	A421 V423 V433 F471 A477 I478 T479	A421-V469 HydrophobicContact CB-CG1 4.02Å; V423-V469 HydrophobicContact CG1-CG1 4.4Å; V423-V469 HydrophobicContact CG2-CG1 3.52Å; V423-V469 HydrophobicContact CG2-CG2 4.21Å; V433-V469 HydrophobicContact CG1-CG2 4.19Å; V469-F471 HydrophobicContact CG2-CZ 4.48Å; V469-A477 HydrophobicContact CG2-CB 4.45Å; V469-I478 CarbonylContact C-O 3.56Å; V469-I478 WeakPolarHBondContact CA-O 3.48Å; V469-T479 HydrophobicContact CB-CG2 3.89Å; V469-T479 HydrophobicContact CG2-CG2 3.93Å
470	A	97.4	Very high	95.5	Very high	13 Å²	13	42.6 Å²	42.6	11%	0.107	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	179.1	170.9	0	0	0	0	0	109.2	A477 I478 V511 V513	A470-A477 WeakPolarHBondContact O-CA 3.29Å; A470-I478 PolarHBondContact N-O 2.8Å; A470-I478 PolarHBondContact O-N 3.1Å; A470-V511 HydrophobicContact CB-CB 4.19Å; A470-V511 HydrophobicContact CB-CG1 3.81Å; A470-V513 HydrophobicContact CB-CG2 4.17Å
471	F	97.3	Very high	96	Very high	33 Å²	33	40 Å²	40	15%	0.145	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.3	177.7	-61.1	-85.7	0	0	0	111	V423 F424 H425 P426 V433 V469 D476 A477 V513	V423-F471 HydrophobicContact CB-CE2 4.24Å; V423-F471 HydrophobicContact CG2-CE2 3.56Å; V423-F471 HydrophobicContact CG2-CZ 3.84Å; F424-F471 WeakPolarHBondContact O-CE2 3.18Å; H425-F471 HydrophobicContact CB-CE1 4.3Å; H425-F471 HydrophobicContact CB-CZ 4.32Å; H425-F471 AromaticContact CD2-CD1 3.83Å; H425-F471 AromaticContact CD2-CE1 3.62Å; P426-F471 VanDerWaalsContact CD-CD2 3.48Å; P426-F471 HydrophobicContact CG-CB 3.66Å; P426-F471 HydrophobicContact CG-CD1 4.41Å; P426-F471 HydrophobicContact CG-CD2 4.25Å; P426-F471 HydrophobicContact CG-CG 3.88Å; V433-F471 HydrophobicContact CB-CZ 4.3Å; V433-F471 HydrophobicContact CG2-CE1 4Å; V433-F471 HydrophobicContact CG2-CZ 3.82Å; V469-F471 HydrophobicContact CG2-CZ 4.48Å; F471-D476 WeakPolarHBondContact CA-O 3.45Å; F471-A477 HydrophobicContact CD1-CB 3.85Å; F471-A477 HydrophobicContact CE1-CB 3.72Å; F471-V513 WeakPolarHBondContact O-CG2 3.39Å
472	A	95.6	Very high	96.4	Very high	18 Å²	18	33.1 Å²	33.1	15%	0.149	16%	0.164	C	C	.	.			trans	-74.6	164.3	168.7	0	0	0	0	0	111.4	N474 G475 D476 I478	A472-N474 VanDerWaalsContact CB-OD1 3.28Å; A472-N474 WeakPolarHBondContact CB-OD1 3.49Å; A472-N474 PolarHBondContact O-N 2.92Å; A472-G475 WeakPolarHBondContact O-CA 3.49Å; A472-G475 PolarHBondContact O-N 3.41Å; A472-D476 PolarHBondContact N-O 3.43Å; A472-I478 HydrophobicContact CB-CD1 4Å
473	E	93.1	Very high	96.7	Very high	134 Å²	134	31.5 Å²	31.5	63%	0.626	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.9	179.3	-59.8	-174.5	159.7	0	0	113.6	G475	E473-G475 PolarHBondContact O-N 2.79Å
474	N	93.8	Very high	96.9	Very high	88 Å²	88	31.2 Å²	31.2	47%	0.471	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.2	175.6	70.1	-9.1	0	0	0	113.3	A472 D476 K491	A472-N474 VanDerWaalsContact CB-OD1 3.28Å; A472-N474 WeakPolarHBondContact CB-OD1 3.49Å; A472-N474 PolarHBondContact O-N 2.92Å; N474-D476 VanDerWaalsContact ND2-CG 3.29Å; N474-D476 PolarHBondContact ND2-OD2 2.8Å; N474-D476 WeakPolarHBondContact OD1-CB 3.27Å; N474-D476 PolarHBondContact OD1-N 2.85Å; N474-K491 VanDerWaalsContact O-CD 3.31Å; N474-K491 WeakPolarHBondContact O-CD 3.15Å
475	G	95.1	Very high	97	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	87.5	10	-175.5	0	0	0	0	0	115	H425 A472 E473	H425-G475 PolarHBondContact NE2-O 3.15Å; A472-G475 WeakPolarHBondContact O-CA 3.49Å; A472-G475 PolarHBondContact O-N 3.41Å; E473-G475 PolarHBondContact O-N 2.79Å
476	D	96.6	Very high	97	Very high	26 Å²	26	23.2 Å²	23.2	14%	0.139	13%	0.132	C	C	.	.			trans	-68.8	135.2	169.3	-68.1	-17.5	0	0	0	109.7	F471 A472 N474 V488 W489 A490 K491	F471-D476 WeakPolarHBondContact CA-O 3.45Å; A472-D476 PolarHBondContact N-O 3.43Å; N474-D476 VanDerWaalsContact ND2-CG 3.29Å; N474-D476 PolarHBondContact ND2-OD2 2.8Å; N474-D476 WeakPolarHBondContact OD1-CB 3.27Å; N474-D476 PolarHBondContact OD1-N 2.85Å; D476-V488 HydrophobicContact CB-CG1 3.78Å; D476-W489 WeakPolarHBondContact CA-O 3.33Å; D476-A490 VanDerWaalsContact OD1-CA 3.3Å; D476-A490 WeakPolarHBondContact OD1-CA 3.42Å; D476-K491 PolarHBondContact OD1-N 3.32Å
477	A	97.9	Very high	97	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.4	173.8	0	0	0	0	0	109.2	F442 V469 A470 F471 V488 W489	F442-A477 HydrophobicContact CE1-CB 4.4Å; V469-A477 HydrophobicContact CG2-CB 4.45Å; A470-A477 WeakPolarHBondContact O-CA 3.29Å; F471-A477 HydrophobicContact CD1-CB 3.85Å; F471-A477 HydrophobicContact CE1-CB 3.72Å; A477-V488 CarbonylContact O-C 3.59Å; A477-V488 WeakPolarHBondContact O-CA 3.37Å; A477-W489 HydrophobicContact CB-CB 4.23Å; A477-W489 PolarHBondContact N-O 3.39Å; A477-W489 PolarHBondContact O-N 2.97Å
478	I	98.2	Very high	97	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.4	176.7	-56.7	156.8	0	0	0	107.6	V469 A470 A472 Y487 V511 V513 M519 Y536	V469-I478 CarbonylContact C-O 3.56Å; V469-I478 WeakPolarHBondContact CA-O 3.48Å; A470-I478 PolarHBondContact N-O 2.8Å; A470-I478 PolarHBondContact O-N 3.1Å; A472-I478 HydrophobicContact CB-CD1 4Å; I478-Y487 CarbonylContact C-O 3.57Å; I478-Y487 WeakPolarHBondContact CA-O 3.3Å; I478-V511 HydrophobicContact CG2-CG1 4.21Å; I478-V513 HydrophobicContact CD1-CG2 3.86Å; I478-M519 HydrophobicContact CD1-SD 3.94Å; I478-M519 HydrophobicContact CG2-SD 3.85Å; I478-Y536 HydrophobicContact CD1-CE1 3.78Å; I478-Y536 HydrophobicContact CG1-CE1 4.07Å
479	T	98.3	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.3	-179	61.1	0	0	0	0	112.7	I440 V466 C468 V469 L486 Y487 W489	I440-T479 HydrophobicContact CD1-CG2 3.67Å; V466-T479 HydrophobicContact CG1-CG2 4.04Å; C468-T479 VanDerWaalsContact O-CA 3.3Å; C468-T479 WeakPolarHBondContact O-CA 3.26Å; C468-T479 WeakPolarHBondContact O-CB 3.24Å; V469-T479 HydrophobicContact CB-CG2 3.89Å; V469-T479 HydrophobicContact CG2-CG2 3.93Å; T479-L486 WeakPolarHBondContact O-CA 3.15Å; T479-Y487 PolarHBondContact N-O 2.99Å; T479-Y487 PolarHBondContact O-N 3.42Å; T479-W489 PolarHBondContact OG1-NE1 3.31Å
480	G	98.1	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.2	167.9	0	0	0	0	0	111.8	L467 C468	L467-G480 PolarHBondContact N-O 2.98Å; C468-G480 PolarHBondContact O-N 2.72Å
481	D	97.6	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	177.9	-179.3	83.2	-3.2	0	0	0	114	P463 Y465 L467 S483 G484 N485 Y487 G507 I508	P463-D481 HydrophobicContact CB-CB 3.65Å; P463-D481 WeakPolarHBondContact CB-OD2 3.39Å; P463-D481 HydrophobicContact CG-CB 3.74Å; Y465-D481 CarbonylContact O-C 3.59Å; Y465-D481 WeakPolarHBondContact O-CA 3.46Å; L467-D481 WeakPolarHBondContact CD1-O 3.28Å; D481-S483 PolarHBondContact O-N 2.98Å; D481-S483 WeakPolarHBondContact OD1-CA 3.39Å; D481-S483 PolarHBondContact OD1-N 3.06Å; D481-G484 PolarHBondContact OD1-N 2.99Å; D481-N485 PolarHBondContact N-O 2.79Å; D481-N485 VanDerWaalsContact N-O 3.12Å; D481-N485 PolarHBondContact OD1-N 3.27Å; D481-N485 PolarHBondContact OD2-ND2 3.43Å; D481-Y487 HydrophobicContact CB-CD2 4.4Å; D481-Y487 HydrophobicContact CB-CE2 3.89Å; D481-Y487 WeakPolarHBondContact OD2-CE2 3.4Å; D481-Y487 PolarHBondContact OD2-OH 3.25Å; D481-G507 CarbonylContact O-C 3.56Å; D481-G507 VanDerWaalsContact O-CA 3.26Å; D481-G507 WeakPolarHBondContact O-CA 3.31Å; D481-I508 PolarHBondContact O-N 3.19Å
482	S	97.4	Very high	96.1	Very high	32 Å²	32	28.9 Å²	28.9	22%	0.224	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14	175.1	54.7	0	0	0	0	115.5	K464 Y465 G507	K464-S482 PolarHBondContact N-OG 3.05Å; Y465-S482 PolarHBondContact N-OG 3.08Å; Y465-S482 PolarHBondContact O-N 3.32Å; Y465-S482 PolarHBondContact O-OG 3.36Å; S482-G507 WeakPolarHBondContact O-CA 3.41Å; S482-G507 PolarHBondContact O-N 3.1Å
483	S	96.5	Very high	95.9	Very high	70 Å²	70	29.4 Å²	29.4	49%	0.49	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	0.3	-169	-56.5	0	0	0	0	113	D481	D481-S483 PolarHBondContact O-N 2.98Å; D481-S483 WeakPolarHBondContact OD1-CA 3.39Å; D481-S483 PolarHBondContact OD1-N 3.06Å
484	G	97.3	Very high	95.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	91.7	17.5	178.7	0	0	0	0	0	114.7	D481 G502 A503 H504 G506	D481-G484 PolarHBondContact OD1-N 2.99Å; G484-G502 CarbonylContact O-C 3.57Å; G484-A503 WeakPolarHBondContact O-CB 3.4Å; G484-A503 PolarHBondContact O-N 3.36Å; G484-H504 WeakPolarHBondContact CA-O 3.43Å; G484-H504 PolarHBondContact O-N 3.3Å; G484-G506 WeakPolarHBondContact CA-O 3.23Å; G484-G506 PolarHBondContact N-O 3.5Å
485	N	97.6	Very high	95.9	Very high	27 Å²	27	26.8 Å²	26.8	14%	0.144	16%	0.16	C	C	.	.			trans	-103.8	144.7	-180	-47.6	-61.3	0	0	0	111.9	D481 Y487 V500 S501 G502	D481-N485 PolarHBondContact N-O 2.79Å; D481-N485 VanDerWaalsContact N-O 3.12Å; D481-N485 PolarHBondContact OD1-N 3.27Å; D481-N485 PolarHBondContact OD2-ND2 3.43Å; N485-Y487 HydrophobicContact CB-CE2 3.94Å; N485-V500 WeakPolarHBondContact CA-O 3.11Å; N485-S501 VanDerWaalsContact OD1-CA 3.29Å; N485-S501 WeakPolarHBondContact OD1-CA 3.32Å; N485-G502 PolarHBondContact OD1-N 2.99Å; N485-G502 VanDerWaalsContact OD1-N 3.1Å
486	L	97.9	Very high	96	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.5	166.1	-62.7	161.7	0	0	0	109.1	T479 V499 V500 A503 I508 V511 M519 W532	T479-L486 WeakPolarHBondContact O-CA 3.15Å; L486-V499 WeakPolarHBondContact O-CA 3.28Å; L486-V500 HydrophobicContact CB-CB 4.18Å; L486-V500 HydrophobicContact CD1-CB 4.46Å; L486-V500 PolarHBondContact N-O 3.45Å; L486-V500 PolarHBondContact O-N 3.49Å; L486-A503 HydrophobicContact CD1-CB 3.86Å; L486-A503 HydrophobicContact CG-CB 4.06Å; L486-I508 HydrophobicContact CD2-CD1 3.64Å; L486-I508 HydrophobicContact CD2-CG2 4.35Å; L486-I508 HydrophobicContact CG-CD1 3.69Å; L486-V511 HydrophobicContact CD2-CG2 3.73Å; L486-M519 HydrophobicContact CD1-CE 3.8Å; L486-W532 HydrophobicContact CD1-CD2 4.4Å; L486-W532 HydrophobicContact CD1-CH2 4.39Å; L486-W532 HydrophobicContact CD1-CZ2 4.09Å
487	Y	97.7	Very high	95.9	Very high	8 Å²	8	29.9 Å²	29.9	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135	173.9	-59.8	-78.7	0	0	0	110.4	F457 H460 P463 I478 T479 D481 N485 I496 V499	F457-Y487 HydrophobicContact CD1-CE1 4.35Å; F457-Y487 HydrophobicContact CE1-CD2 4.12Å; F457-Y487 HydrophobicContact CE1-CE1 4.44Å; F457-Y487 AromaticContact CE1-CE2 3.88Å; F457-Y487 HydrophobicContact CE1-CE2 3.88Å; F457-Y487 HydrophobicContact CE1-CG 4.49Å; H460-Y487 HydrophobicContact CB-CE1 4.22Å; P463-Y487 HydrophobicContact CG-CE2 4.34Å; I478-Y487 CarbonylContact C-O 3.57Å; I478-Y487 WeakPolarHBondContact CA-O 3.3Å; T479-Y487 PolarHBondContact N-O 2.99Å; T479-Y487 PolarHBondContact O-N 3.42Å; D481-Y487 HydrophobicContact CB-CD2 4.4Å; D481-Y487 HydrophobicContact CB-CE2 3.89Å; D481-Y487 WeakPolarHBondContact OD2-CE2 3.4Å; D481-Y487 PolarHBondContact OD2-OH 3.25Å; N485-Y487 HydrophobicContact CB-CE2 3.94Å; Y487-I496 HydrophobicContact CD1-CD1 3.57Å; Y487-I496 HydrophobicContact CD1-CG1 4.28Å; Y487-I496 HydrophobicContact CD1-CG2 4.28Å; Y487-I496 HydrophobicContact CE1-CD1 3.95Å; Y487-I496 HydrophobicContact CG-CD1 4.32Å; Y487-V499 HydrophobicContact CD1-CB 4.36Å; Y487-V499 HydrophobicContact CD1-CG1 3.89Å; Y487-V499 HydrophobicContact CD1-CG2 3.73Å; Y487-V499 HydrophobicContact CE1-CG1 3.75Å; Y487-V499 HydrophobicContact CE1-CG2 4Å
488	V	97.4	Very high	95.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.5	172.6	-170.2	0	0	0	0	108.5	D476 A477 I496 S497 Q498 Y536	D476-V488 HydrophobicContact CB-CG1 3.78Å; A477-V488 CarbonylContact O-C 3.59Å; A477-V488 WeakPolarHBondContact O-CA 3.37Å; V488-I496 CarbonylContact O-C 3.43Å; V488-I496 WeakPolarHBondContact O-CA 3.43Å; V488-S497 PolarHBondContact O-N 2.9Å; V488-S497 PolarHBondContact O-OG 3.49Å; V488-Q498 HydrophobicContact CB-CB 4.05Å; V488-Q498 HydrophobicContact CG2-CB 4.04Å; V488-Q498 HydrophobicContact CG2-CG 4.5Å; V488-Q498 PolarHBondContact N-O 3.42Å; V488-Y536 HydrophobicContact CG2-CD1 4.44Å; V488-Y536 HydrophobicContact CG2-CD2 4.3Å; V488-Y536 HydrophobicContact CG2-CE1 3.98Å; V488-Y536 HydrophobicContact CG2-CE2 3.84Å
489	W	97.1	Very high	95.7	Very high	2 Å²	2	35 Å²	35	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.6	-177.2	-52.2	81.4	0	0	0	109	I440 F442 F457 D476 A477 T479 K491 I496	I440-W489 HydrophobicContact CD1-CD2 4.05Å; I440-W489 HydrophobicContact CD1-CG 4.34Å; I440-W489 HydrophobicContact CD1-CZ2 3.98Å; I440-W489 HydrophobicContact CG2-CH2 3.71Å; I440-W489 HydrophobicContact CG2-CZ2 3.71Å; I440-W489 HydrophobicContact CG2-CZ3 4.35Å; F442-W489 HydrophobicContact CE2-CD2 4.45Å; F442-W489 HydrophobicContact CE2-CE3 4.17Å; F442-W489 HydrophobicContact CZ-CB 3.91Å; F442-W489 HydrophobicContact CZ-CD2 4.1Å; F442-W489 HydrophobicContact CZ-CE3 4.21Å; F442-W489 AromaticContact CZ-CG 3.99Å; F442-W489 HydrophobicContact CZ-CG 3.99Å; F457-W489 HydrophobicContact CD1-CH2 4.29Å; F457-W489 HydrophobicContact CD2-CH2 4.05Å; F457-W489 HydrophobicContact CE1-CH2 4.04Å; F457-W489 AromaticContact CE1-CZ2 3.94Å; F457-W489 HydrophobicContact CE1-CZ2 3.94Å; F457-W489 AromaticContact CE2-CH2 3.8Å; F457-W489 HydrophobicContact CE2-CH2 3.8Å; F457-W489 HydrophobicContact CE2-CZ2 4.22Å; F457-W489 HydrophobicContact CG-CH2 4.29Å; F457-W489 AromaticContact CZ-CH2 3.79Å; F457-W489 HydrophobicContact CZ-CH2 3.79Å; F457-W489 AromaticContact CZ-CZ2 3.75Å; F457-W489 HydrophobicContact CZ-CZ2 3.75Å; D476-W489 WeakPolarHBondContact CA-O 3.33Å; A477-W489 HydrophobicContact CB-CB 4.23Å; A477-W489 PolarHBondContact N-O 3.39Å; A477-W489 PolarHBondContact O-N 2.97Å; T479-W489 PolarHBondContact OG1-NE1 3.31Å; W489-K491 PolarHBondContact O-N 2.91Å; W489-I496 HydrophobicContact CD2-CG1 4.22Å; W489-I496 HydrophobicContact CE3-CG1 3.93Å; W489-I496 HydrophobicContact CH2-CD1 4.02Å; W489-I496 HydrophobicContact CH2-CG1 3.6Å; W489-I496 HydrophobicContact CZ2-CD1 4.32Å; W489-I496 HydrophobicContact CZ2-CG1 3.91Å; W489-I496 HydrophobicContact CZ3-CD1 4.44Å; W489-I496 HydrophobicContact CZ3-CG1 3.61Å
490	A	94.6	Very high	95.6	Very high	42 Å²	42	36.3 Å²	36.3	35%	0.347	22%	0.215	S	C	.	.			trans	-61.4	133.4	-174.6	0	0	0	0	0	112.4	D476 G492 G493	D476-A490 VanDerWaalsContact OD1-CA 3.3Å; D476-A490 WeakPolarHBondContact OD1-CA 3.42Å; A490-G492 PolarHBondContact O-N 3.46Å; A490-G493 WeakPolarHBondContact O-CA 3.41Å; A490-G493 PolarHBondContact O-N 3.33Å
491	K	92.4	Very high	95.5	Very high	104 Å²	104	40.6 Å²	40.6	45%	0.452	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	131.1	178.1	-179.8	177.7	173.6	178.8	0	112.5	M427 N474 D476 W489 G493	M427-K491 HydrophobicContact SD-CD 4.33Å; M427-K491 PolarHBondContact SD-NZ 3.42Å; N474-K491 VanDerWaalsContact O-CD 3.31Å; N474-K491 WeakPolarHBondContact O-CD 3.15Å; D476-K491 PolarHBondContact OD1-N 3.32Å; W489-K491 PolarHBondContact O-N 2.91Å; K491-G493 PolarHBondContact O-N 3.21Å
492	G	87.6	Confident	95.4	Very high	46 Å²	46	43.3 Å²	43.3	47%	0.474	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-16.8	-179.8	0	0	0	0	0	114.9	R453 A490	R453-G492 PolarHBondContact NH1-O 3.44Å; A490-G492 PolarHBondContact O-N 3.46Å
493	G	90.6	Very high	95.4	Very high	28 Å²	28	41.9 Å²	41.9	29%	0.289	26%	0.263	S	S	.	.			trans	-87	-173.3	173.6	0	0	0	0	0	113.9	A490 K491	A490-G493 WeakPolarHBondContact O-CA 3.41Å; A490-G493 PolarHBondContact O-N 3.33Å; K491-G493 PolarHBondContact O-N 3.21Å
494	N	94.4	Very high	95.4	Very high	34 Å²	34	39 Å²	39	18%	0.182	24%	0.241	C	C	.	.	S	Bend	trans	-140.5	25.6	172.6	69.4	-41.1	0	0	0	111.2	F442 R453 Q454 G455 L456	F442-N494 HydrophobicContact CD2-CB 4.02Å; F442-N494 HydrophobicContact CE2-CB 4.36Å; R453-N494 HydrophobicContact CB-CB 4.47Å; Q454-N494 PolarHBondContact O-ND2 3.45Å; G455-N494 CarbonylContact C-O 3.57Å; G455-N494 WeakPolarHBondContact CA-O 3.41Å; L456-N494 PolarHBondContact N-O 2.9Å
495	R	94.4	Very high	95.4	Very high	133 Å²	133	45.4 Å²	45.4	50%	0.502	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-124.4	150.1	-176.8	-65.8	172.1	-170	-92.3	0.6	109.2	L456 E458	L456-R495 HydrophobicContact CB-CG 4.2Å; L456-R495 HydrophobicContact CD1-CG 4.05Å; E458-R495 VanDerWaalsContact OE1-CD 3.24Å; E458-R495 WeakPolarHBondContact OE1-CD 3.25Å; E458-R495 IonicContact OE1-CZ 2.89Å; E458-R495 IonicContact OE1-NE 3.06Å; E458-R495 IonicContact OE1-NH1 3.94Å; E458-R495 PolarHBondContact OE1-NH1 2.91Å
496	I	96.3	Very high	95.2	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.4	177.3	-62.4	170.2	0	0	0	109.6	F457 H460 Y487 V488 W489 Q498 V499	F457-I496 HydrophobicContact CB-CD1 4.24Å; F457-I496 HydrophobicContact CD1-CD1 3.75Å; F457-I496 HydrophobicContact CE1-CD1 4.39Å; F457-I496 HydrophobicContact CG-CD1 4.21Å; H460-I496 HydrophobicContact CB-CD1 4.37Å; Y487-I496 HydrophobicContact CD1-CD1 3.57Å; Y487-I496 HydrophobicContact CD1-CG1 4.28Å; Y487-I496 HydrophobicContact CD1-CG2 4.28Å; Y487-I496 HydrophobicContact CE1-CD1 3.95Å; Y487-I496 HydrophobicContact CG-CD1 4.32Å; V488-I496 CarbonylContact O-C 3.43Å; V488-I496 WeakPolarHBondContact O-CA 3.43Å; W489-I496 HydrophobicContact CD2-CG1 4.22Å; W489-I496 HydrophobicContact CE3-CG1 3.93Å; W489-I496 HydrophobicContact CH2-CD1 4.02Å; W489-I496 HydrophobicContact CH2-CG1 3.6Å; W489-I496 HydrophobicContact CZ2-CD1 4.32Å; W489-I496 HydrophobicContact CZ2-CG1 3.91Å; W489-I496 HydrophobicContact CZ3-CD1 4.44Å; W489-I496 HydrophobicContact CZ3-CG1 3.61Å; I496-Q498 WeakPolarHBondContact CG2-O 3.5Å; I496-V499 HydrophobicContact CG2-CG2 3.51Å
497	S	94.8	Very high	95.2	Very high	69 Å²	69	45 Å²	45	48%	0.483	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-39.1	171.9	51.6	0	0	0	0	112.5	V488	V488-S497 PolarHBondContact O-N 2.9Å; V488-S497 PolarHBondContact O-OG 3.49Å
498	Q	95	Very high	95.2	Very high	80 Å²	80	44.6 Å²	44.6	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.4	-179.1	179.6	170.4	-11.5	0	0	111.2	V488 I496 N535	V488-Q498 HydrophobicContact CB-CB 4.05Å; V488-Q498 HydrophobicContact CG2-CB 4.04Å; V488-Q498 HydrophobicContact CG2-CG 4.5Å; V488-Q498 PolarHBondContact N-O 3.42Å; I496-Q498 WeakPolarHBondContact CG2-O 3.5Å; Q498-N535 PolarHBondContact NE2-O 2.9Å
499	V	96.3	Very high	95.2	Very high	34 Å²	34	47.3 Å²	47.3	21%	0.206	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.3	175.4	-171.4	0	0	0	0	109.6	H460 L486 Y487 I496	H460-V499 VanDerWaalsContact CE1-CG2 3.46Å; H460-V499 WeakPolarHBondContact CE1-CG2 3.38Å; L486-V499 WeakPolarHBondContact O-CA 3.28Å; Y487-V499 HydrophobicContact CD1-CB 4.36Å; Y487-V499 HydrophobicContact CD1-CG1 3.89Å; Y487-V499 HydrophobicContact CD1-CG2 3.73Å; Y487-V499 HydrophobicContact CE1-CG1 3.75Å; Y487-V499 HydrophobicContact CE1-CG2 4Å; I496-V499 HydrophobicContact CG2-CG2 3.51Å
500	V	96.8	Very high	95.3	Very high	27 Å²	27	47.9 Å²	47.9	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	98.7	162.8	-172.6	0	0	0	0	107.2	N485 L486 A503 W532	N485-V500 WeakPolarHBondContact CA-O 3.11Å; L486-V500 HydrophobicContact CB-CB 4.18Å; L486-V500 HydrophobicContact CD1-CB 4.46Å; L486-V500 PolarHBondContact N-O 3.45Å; L486-V500 PolarHBondContact O-N 3.49Å; V500-A503 HydrophobicContact CG1-CB 4.23Å; V500-W532 HydrophobicContact CG1-CH2 4.32Å; V500-W532 HydrophobicContact CG1-CZ3 3.89Å
501	S	95.6	Very high	95.4	Very high	89 Å²	89	46.5 Å²	46.5	62%	0.622	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	140.4	179.7	-53.6	0	0	0	0	111	N485 A503	N485-S501 VanDerWaalsContact OD1-CA 3.29Å; N485-S501 WeakPolarHBondContact OD1-CA 3.32Å; S501-A503 VanDerWaalsContact C-N 3.3Å; S501-A503 PolarHBondContact O-N 3.42Å
502	G	94.9	Very high	95.7	Very high	57 Å²	57	42.4 Å²	42.4	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	37.3	177	0	0	0	0	0	113.7	G484 N485 H504	G484-G502 CarbonylContact O-C 3.57Å; N485-G502 PolarHBondContact OD1-N 2.99Å; N485-G502 VanDerWaalsContact OD1-N 3.1Å; G502-H504 PolarHBondContact O-N 3.38Å
503	A	97.3	Very high	96.1	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	25%	0.247	C	C	.	.	S	Bend	trans	-61.3	-32.8	172.8	0	0	0	0	0	112	G484 L486 V500 S501 I508 W532 K538	G484-A503 WeakPolarHBondContact O-CB 3.4Å; G484-A503 PolarHBondContact O-N 3.36Å; L486-A503 HydrophobicContact CD1-CB 3.86Å; L486-A503 HydrophobicContact CG-CB 4.06Å; V500-A503 HydrophobicContact CG1-CB 4.23Å; S501-A503 VanDerWaalsContact C-N 3.3Å; S501-A503 PolarHBondContact O-N 3.42Å; A503-I508 HydrophobicContact CB-CD1 4.14Å; A503-W532 HydrophobicContact CB-CH2 3.49Å; A503-W532 VanDerWaalsContact CB-CH2 3.49Å; A503-W532 HydrophobicContact CB-CZ2 3.77Å; A503-W532 HydrophobicContact CB-CZ3 4.47Å; A503-K538 PolarHBondContact O-NZ 2.88Å; A503-K538 VanDerWaalsContact O-NZ 3.08Å
504	H	98.3	Very high	96.3	Very high	8 Å²	8	42 Å²	42	4%	0.037	24%	0.241	C	C	.	.	S	Bend	trans	-137.3	161.7	177.1	-75.1	-82.8	0	0	0	110.9	G484 G502 G506 I508 S521 G523 D526 K528	G484-H504 WeakPolarHBondContact CA-O 3.43Å; G484-H504 PolarHBondContact O-N 3.3Å; G502-H504 PolarHBondContact O-N 3.38Å; H504-G506 PolarHBondContact O-N 3.35Å; H504-I508 HydrophobicContact CB-CG1 4.1Å; H504-S521 PolarHBondContact NE2-OG 2.83Å; H504-G523 PolarHBondContact CE1-N 2.72Å; H504-G523 WeakPolarHBondContact ND1-CA 3.47Å; H504-D526 VanDerWaalsContact CA-OD2 3.25Å; H504-D526 WeakPolarHBondContact CA-OD2 3.4Å; H504-D526 VanDerWaalsContact CB-OD2 3.23Å; H504-D526 WeakPolarHBondContact CB-OD2 3.3Å; H504-D526 IonicContact CG-OD2 3.43Å; H504-D526 IonicContact ND1-OD1 2.63Å; H504-D526 PolarHBondContact ND1-OD1 3.45Å; H504-D526 IonicContact ND1-OD2 2.77Å; H504-D526 PolarHBondContact ND1-OD2 3.03Å; H504-K528 PolarHBondContact CE1-O 3.32Å; H504-K528 VanDerWaalsContact CE1-O 3.31Å
505	E	95.9	Very high	96.2	Very high	135 Å²	135	48 Å²	48	63%	0.631	27%	0.265	S	S	*	.	S	Bend	trans	-78.4	0.6	179.2	-59.4	-175.1	-173.6	0	0	114.4	D526	E505-D526 HydrophobicContact CB-CB 4.16Å; E505-D526 HydrophobicContact CG-CB 4.19Å; E505-D526 PolarHBondContact N-OD2 3.38Å
506	G	94.4	Very high	96.1	Very high	9 Å²	9	46.2 Å²	46.2	9%	0.093	27%	0.266	C	S	.	.	S	Bend	trans	-175.2	-164.7	179.7	0	0	0	0	0	110.8	G484 H504 I508	G484-G506 WeakPolarHBondContact CA-O 3.23Å; G484-G506 PolarHBondContact N-O 3.5Å; H504-G506 PolarHBondContact O-N 3.35Å; G506-I508 PolarHBondContact O-N 2.94Å
507	G	97.1	Very high	95.9	Very high	10 Å²	10	45.8 Å²	45.8	10%	0.103	27%	0.267	C	S	.	.			trans	-52.1	132.2	-168.7	0	0	0	0	0	115.9	D481 S482 G524	D481-G507 CarbonylContact O-C 3.56Å; D481-G507 VanDerWaalsContact O-CA 3.26Å; D481-G507 WeakPolarHBondContact O-CA 3.31Å; S482-G507 WeakPolarHBondContact O-CA 3.41Å; S482-G507 PolarHBondContact O-N 3.1Å; G507-G524 PolarHBondContact O-N 2.94Å
508	I	98.5	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	102.7	176.3	-52.2	-179.3	0	0	0	108.7	L467 C468 D481 L486 A503 H504 G506 V511	L467-I508 VanDerWaalsContact CB-O 3.24Å; L467-I508 WeakPolarHBondContact CB-O 3.17Å; C468-I508 PolarHBondContact SG-O 2.85Å; D481-I508 PolarHBondContact O-N 3.19Å; L486-I508 HydrophobicContact CD2-CD1 3.64Å; L486-I508 HydrophobicContact CD2-CG2 4.35Å; L486-I508 HydrophobicContact CG-CD1 3.69Å; A503-I508 HydrophobicContact CB-CD1 4.14Å; H504-I508 HydrophobicContact CB-CG1 4.1Å; G506-I508 PolarHBondContact O-N 2.94Å; I508-V511 HydrophobicContact CG2-CG2 3.99Å
509	F	97.9	Very high	96	Very high	61 Å²	61	39.9 Å²	39.9	27%	0.268	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-18.8	-172.7	-76.5	-73	0	0	0	114.5	L467 C468 G522 R552	L467-F509 HydrophobicContact CB-CD1 4.44Å; L467-F509 HydrophobicContact CD1-CD1 3.86Å; L467-F509 HydrophobicContact CD1-CE1 3.81Å; L467-F509 HydrophobicContact CD1-CG 4.27Å; L467-F509 HydrophobicContact CD1-CZ 4.15Å; L467-F509 HydrophobicContact CD2-CD1 4.17Å; L467-F509 HydrophobicContact CD2-CE1 3.83Å; L467-F509 HydrophobicContact CG-CD1 4.4Å; L467-F509 HydrophobicContact CG-CE1 4.39Å; C468-F509 WeakPolarHBondContact CB-O 3.21Å; F509-G522 PolarHBondContact N-O 3Å; F509-R552 VanDerWaalsContact CE1-NH1 3.29Å; F509-R552 VanDerWaalsContact CG-NH1 3.3Å
510	S	97.6	Very high	96	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	142.8	178.6	-166.1	0	0	0	0	111.3	S521 G522 L554	S510-S521 WeakPolarHBondContact O-CA 3.44Å; S510-G522 PolarHBondContact O-N 2.84Å; S510-L554 PolarHBondContact OG-N 3.11Å; S510-L554 VanDerWaalsContact OG-N 3.15Å
511	V	98.1	Very high	96.1	Very high	13 Å²	13	37 Å²	37	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.7	169.5	172.8	0	0	0	0	106.6	A470 I478 L486 I508 M519 V520	A470-V511 HydrophobicContact CB-CB 4.19Å; A470-V511 HydrophobicContact CB-CG1 3.81Å; I478-V511 HydrophobicContact CG2-CG1 4.21Å; L486-V511 HydrophobicContact CD2-CG2 3.73Å; I508-V511 HydrophobicContact CG2-CG2 3.99Å; V511-M519 HydrophobicContact CG1-CG 3.69Å; V511-M519 HydrophobicContact CG1-SD 3.42Å; V511-M519 WeakPolarHBondContact CG1-SD 3.45Å; V511-V520 CarbonylContact C-O 3.57Å; V511-V520 WeakPolarHBondContact CA-O 3.25Å
512	C	97.2	Very high	96.2	Very high	19 Å²	19	32.8 Å²	32.8	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	178.3	-172.2	0	0	0	0	108.2	M519 V520 L554	C512-M519 CarbonylContact O-C 3.54Å; C512-M519 WeakPolarHBondContact O-CA 3.33Å; C512-V520 PolarHBondContact N-O 2.91Å; C512-V520 PolarHBondContact O-N 3.47Å; C512-L554 HydrophobicContact CB-CB 3.85Å; C512-L554 HydrophobicContact CB-CD1 4.43Å
513	V	96.5	Very high	96.2	Very high	35 Å²	35	30.1 Å²	30.1	21%	0.212	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.3	171.5	178.9	0	0	0	0	107.1	A470 F471 I478 M519	A470-V513 HydrophobicContact CB-CG2 4.17Å; F471-V513 WeakPolarHBondContact O-CG2 3.39Å; I478-V513 HydrophobicContact CD1-CG2 3.86Å; V513-M519 HydrophobicContact CG2-CB 4.48Å; V513-M519 HydrophobicContact CG2-CG 4.21Å
514	L	95.6	Very high	96	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.157	16%	0.159	C	C	.	.			trans	-86.4	164.4	-175.6	-51.2	-168.9	0	0	0	110.9	D516 G517 T518 V520 E556	L514-D516 PolarHBondContact O-N 2.96Å; L514-D516 VanDerWaalsContact O-N 3.16Å; L514-G517 PolarHBondContact O-N 2.96Å; L514-T518 PolarHBondContact N-O 2.66Å; L514-V520 HydrophobicContact CD1-CG2 4Å; L514-V520 HydrophobicContact CD2-CG2 4.17Å; L514-V520 HydrophobicContact CG-CG2 4.24Å; L514-E556 HydrophobicContact CD2-CB 3.94Å; L514-E556 HydrophobicContact CD2-CG 3.97Å
515	K	92.4	Very high	95.9	Very high	159 Å²	159	37.2 Å²	37.2	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.3	-179.4	-72.8	167.5	-173.2	105.8	0	114.8	E556	K515-E556 WeakPolarHBondContact CB-OE1 3.31Å; K515-E556 WeakPolarHBondContact CD-OE2 3.08Å; K515-E556 VanDerWaalsContact CE-OE2 3.29Å; K515-E556 WeakPolarHBondContact CE-OE2 3.33Å; K515-E556 WeakPolarHBondContact CG-OE1 3.47Å; K515-E556 VanDerWaalsContact CG-OE2 3.3Å; K515-E556 WeakPolarHBondContact CG-OE2 3.2Å; K515-E556 PolarHBondContact N-OE1 2.83Å; K515-E556 IonicContact NZ-OE2 2.66Å; K515-E556 PolarHBondContact NZ-OE2 2.94Å
516	D	92.1	Very high	95.9	Very high	97 Å²	97	31.3 Å²	31.3	52%	0.519	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3.4	173.9	70.1	-2.5	0	0	0	113	L514 T518 H534	L514-D516 PolarHBondContact O-N 2.96Å; L514-D516 VanDerWaalsContact O-N 3.16Å; D516-T518 VanDerWaalsContact C-N 3.28Å; D516-T518 PolarHBondContact O-N 3.04Å; D516-T518 VanDerWaalsContact OD1-CB 3.29Å; D516-T518 WeakPolarHBondContact OD1-CB 3.33Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.3Å; D516-T518 PolarHBondContact OD1-N 3.02Å; D516-T518 PolarHBondContact OD1-OG1 3.33Å; D516-T518 PolarHBondContact OD2-OG1 3.35Å; D516-H534 PolarHBondContact O-NE2 2.66Å
517	G	91	Very high	96	Very high	13 Å²	13	33.6 Å²	33.6	13%	0.134	17%	0.169	C	C	.	.	S	Bend	trans	81.1	-2.9	-178.4	0	0	0	0	0	114.8	L514 H534	L514-G517 PolarHBondContact O-N 2.96Å; G517-H534 VanDerWaalsContact C-CD2 3.46Å; G517-H534 PolarHBondContact O-CD2 2.98Å; G517-H534 VanDerWaalsContact O-CD2 3.29Å
518	T	95.3	Very high	96.1	Very high	22 Å²	22	35.2 Å²	35.2	14%	0.135	17%	0.173	C	C	.	.			trans	-73.3	170.3	168	69.2	0	0	0	0	110.7	L514 D516 W532	L514-T518 PolarHBondContact N-O 2.66Å; D516-T518 VanDerWaalsContact C-N 3.28Å; D516-T518 PolarHBondContact O-N 3.04Å; D516-T518 VanDerWaalsContact OD1-CB 3.29Å; D516-T518 WeakPolarHBondContact OD1-CB 3.33Å; D516-T518 WeakPolarHBondContact OD1-CG2 3.3Å; D516-T518 PolarHBondContact OD1-N 3.02Å; D516-T518 PolarHBondContact OD1-OG1 3.33Å; D516-T518 PolarHBondContact OD2-OG1 3.35Å; T518-W532 WeakPolarHBondContact CB-O 3.5Å
519	M	96.4	Very high	96.1	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.7	-175.6	179.9	-173.7	73	0	0	111.1	I478 L486 V511 C512 V513 L531 W532 Y536	I478-M519 HydrophobicContact CD1-SD 3.94Å; I478-M519 HydrophobicContact CG2-SD 3.85Å; L486-M519 HydrophobicContact CD1-CE 3.8Å; V511-M519 HydrophobicContact CG1-CG 3.69Å; V511-M519 HydrophobicContact CG1-SD 3.42Å; V511-M519 WeakPolarHBondContact CG1-SD 3.45Å; C512-M519 CarbonylContact O-C 3.54Å; C512-M519 WeakPolarHBondContact O-CA 3.33Å; V513-M519 HydrophobicContact CG2-CB 4.48Å; V513-M519 HydrophobicContact CG2-CG 4.21Å; M519-L531 CarbonylContact O-C 3.6Å; M519-W532 HydrophobicContact CB-CB 4.35Å; M519-W532 HydrophobicContact CE-CB 3.91Å; M519-W532 HydrophobicContact CE-CD2 4.26Å; M519-W532 HydrophobicContact CE-CG 3.64Å; M519-W532 PolarHBondContact N-O 3.01Å; M519-W532 VanDerWaalsContact N-O 3.08Å; M519-W532 PolarHBondContact O-N 3.45Å; M519-Y536 HydrophobicContact CE-CD1 3.99Å; M519-Y536 HydrophobicContact SD-CD1 4.45Å; M519-Y536 HydrophobicContact SD-CE1 4.48Å
520	V	98	Very high	96.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.5	170.3	-171.2	0	0	0	0	110	V511 C512 L514 V529 A530 L531 L554 L562 F576	V511-V520 CarbonylContact C-O 3.57Å; V511-V520 WeakPolarHBondContact CA-O 3.25Å; C512-V520 PolarHBondContact N-O 2.91Å; C512-V520 PolarHBondContact O-N 3.47Å; L514-V520 HydrophobicContact CD1-CG2 4Å; L514-V520 HydrophobicContact CD2-CG2 4.17Å; L514-V520 HydrophobicContact CG-CG2 4.24Å; V520-V529 HydrophobicContact CG1-CG1 3.39Å; V520-A530 CarbonylContact C-O 3.41Å; V520-A530 VanDerWaalsContact CA-O 3.25Å; V520-A530 WeakPolarHBondContact CA-O 3.42Å; V520-A530 WeakPolarHBondContact CG1-O 3.42Å; V520-L531 HydrophobicContact CG2-CD1 3.93Å; V520-L554 HydrophobicContact CB-CD1 4.23Å; V520-L554 HydrophobicContact CG1-CD1 3.87Å; V520-L562 HydrophobicContact CG1-CD2 3.85Å; V520-L562 HydrophobicContact CG2-CD1 4.43Å; V520-F576 HydrophobicContact CG1-CE2 4.34Å; V520-F576 HydrophobicContact CG1-CZ 4.34Å; V520-F576 HydrophobicContact CG2-CE2 4.25Å
521	S	98.5	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.2	172.1	63.8	0	0	0	0	112.1	H504 S510 V529 A530 W532	H504-S521 PolarHBondContact NE2-OG 2.83Å; S510-S521 WeakPolarHBondContact O-CA 3.44Å; S521-V529 WeakPolarHBondContact O-CA 3.46Å; S521-A530 PolarHBondContact N-O 3.46Å; S521-A530 PolarHBondContact O-N 3.16Å; S521-W532 PolarHBondContact OG-NE1 2.94Å
522	G	97.9	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.9	-179.7	0	0	0	0	0	111.4	F509 S510	F509-G522 PolarHBondContact N-O 3Å; S510-G522 PolarHBondContact O-N 2.84Å
523	G	94.9	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.3	178	0	0	0	0	0	112.7	H504 D526 R527 K528 V551	H504-G523 PolarHBondContact CE1-N 2.72Å; H504-G523 WeakPolarHBondContact ND1-CA 3.47Å; G523-D526 VanDerWaalsContact CA-OD1 3.31Å; G523-D526 WeakPolarHBondContact CA-OD1 3.15Å; G523-R527 WeakPolarHBondContact O-CA 3.39Å; G523-K528 PolarHBondContact N-O 3.26Å; G523-V551 PolarHBondContact O-N 2.73Å
524	G	92.9	Very high	95.8	Very high	4 Å²	4	37.3 Å²	37.3	4%	0.041	18%	0.179	C	C	.	.	S	Bend	trans	-77.3	-63.4	177.5	0	0	0	0	0	112.2	G507 R527 P550	G507-G524 PolarHBondContact O-N 2.94Å; G524-R527 PolarHBondContact O-N 2.67Å; G524-P550 WeakPolarHBondContact O-CB 3.46Å; G524-P550 WeakPolarHBondContact O-CG 3.24Å
525	K	94.7	Very high	95.7	Very high	156 Å²	156	40.5 Å²	40.5	68%	0.678	20%	0.196	S	C	*	.	S	Bend	trans	-69.1	-41.9	-170.5	-173.2	-178.2	173.3	-168.8	0	113.1	R527	K525-R527 VanDerWaalsContact C-N 3.33Å
526	D	96.7	Very high	95.8	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.064	17%	0.168	C	C	.	.	S	Bend	trans	-83	-9.2	178.9	56.3	18.2	0	0	0	113.3	H504 E505 G523 K528	H504-D526 VanDerWaalsContact CA-OD2 3.25Å; H504-D526 WeakPolarHBondContact CA-OD2 3.4Å; H504-D526 VanDerWaalsContact CB-OD2 3.23Å; H504-D526 WeakPolarHBondContact CB-OD2 3.3Å; H504-D526 IonicContact CG-OD2 3.43Å; H504-D526 IonicContact ND1-OD1 2.63Å; H504-D526 PolarHBondContact ND1-OD1 3.45Å; H504-D526 IonicContact ND1-OD2 2.77Å; H504-D526 PolarHBondContact ND1-OD2 3.03Å; E505-D526 HydrophobicContact CB-CB 4.16Å; E505-D526 HydrophobicContact CG-CB 4.19Å; E505-D526 PolarHBondContact N-OD2 3.38Å; G523-D526 VanDerWaalsContact CA-OD1 3.31Å; G523-D526 WeakPolarHBondContact CA-OD1 3.15Å; D526-K528 HydrophobicContact CB-CB 4.45Å; D526-K528 HydrophobicContact CB-CD 4.18Å; D526-K528 HydrophobicContact CB-CG 4.12Å; D526-K528 PolarHBondContact O-N 3.23Å; D526-K528 VanDerWaalsContact O-N 3.15Å; D526-K528 PolarHBondContact OD1-N 3.4Å
527	R	97.5	Very high	96	Very high	57 Å²	57	37.6 Å²	37.6	22%	0.215	17%	0.173	C	C	.	.			trans	57.7	19.3	-174.9	-47.5	177.4	-69.7	-127.7	2.1	113.7	G523 G524 K525 E543 V544 E546	G523-R527 WeakPolarHBondContact O-CA 3.39Å; G524-R527 PolarHBondContact O-N 2.67Å; K525-R527 VanDerWaalsContact C-N 3.33Å; R527-E543 HydrophobicContact CB-CG 4.33Å; R527-E543 IonicContact CZ-OE1 2.82Å; R527-E543 IonicContact NE-OE1 2.69Å; R527-E543 PolarHBondContact NE-OE1 2.82Å; R527-E543 IonicContact NH2-OE1 3.52Å; R527-E543 PolarHBondContact NH2-OE1 2.89Å; R527-V544 HydrophobicContact CB-CB 4.31Å; R527-V544 WeakPolarHBondContact CB-O 3.28Å; R527-V544 WeakPolarHBondContact CD-O 3.37Å; R527-V544 PolarHBondContact NE-O 2.78Å; R527-V544 WeakPolarHBondContact O-CB 3.43Å; R527-V544 PolarHBondContact O-N 2.88Å; R527-E546 IonicContact NH1-OE2 2.99Å
528	K	97.8	Very high	96.3	Very high	43 Å²	43	40.8 Å²	40.8	19%	0.187	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.1	-173	-71.8	179.1	179.3	-173.2	0	112.9	H504 G523 D526 E541 M542 E543	H504-K528 PolarHBondContact CE1-O 3.32Å; H504-K528 VanDerWaalsContact CE1-O 3.31Å; G523-K528 PolarHBondContact N-O 3.26Å; D526-K528 HydrophobicContact CB-CB 4.45Å; D526-K528 HydrophobicContact CB-CD 4.18Å; D526-K528 HydrophobicContact CB-CG 4.12Å; D526-K528 PolarHBondContact O-N 3.23Å; D526-K528 VanDerWaalsContact O-N 3.15Å; D526-K528 PolarHBondContact OD1-N 3.4Å; K528-E541 WeakPolarHBondContact CD-OE1 3.43Å; K528-E541 WeakPolarHBondContact CE-OE1 3.03Å; K528-E541 IonicContact NZ-OE1 2.68Å; K528-E541 PolarHBondContact NZ-OE1 2.97Å; K528-M542 CarbonylContact C-O 3.55Å; K528-M542 VanDerWaalsContact CA-O 3.28Å; K528-M542 WeakPolarHBondContact CA-O 3.42Å; K528-E543 HydrophobicContact CG-CB 4.37Å; K528-E543 HydrophobicContact CG-CG 4.38Å
529	V	98.3	Very high	96.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.5	166.6	-174.8	0	0	0	0	106.7	V520 S521 E541 M542 V544 V551 L554 L562 V564 F576	V520-V529 HydrophobicContact CG1-CG1 3.39Å; S521-V529 WeakPolarHBondContact O-CA 3.46Å; V529-E541 CarbonylContact O-C 3.56Å; V529-E541 VanDerWaalsContact O-CA 3.29Å; V529-E541 WeakPolarHBondContact O-CA 3.26Å; V529-M542 PolarHBondContact N-O 2.95Å; V529-M542 PolarHBondContact O-N 2.91Å; V529-V544 HydrophobicContact CG2-CG2 4.12Å; V529-V551 HydrophobicContact CG2-CG2 3.71Å; V529-L554 HydrophobicContact CG1-CD2 4.31Å; V529-L562 HydrophobicContact CG1-CD2 3.64Å; V529-V564 HydrophobicContact CG2-CG1 4.03Å; V529-V564 HydrophobicContact CG2-CG2 4.08Å; V529-F576 HydrophobicContact CG1-CZ 4.01Å
530	A	98.1	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.3	-174.3	0	0	0	0	0	111.6	V520 S521 W532 K538 A540 E541	V520-A530 CarbonylContact C-O 3.41Å; V520-A530 VanDerWaalsContact CA-O 3.25Å; V520-A530 WeakPolarHBondContact CA-O 3.42Å; V520-A530 WeakPolarHBondContact CG1-O 3.42Å; S521-A530 PolarHBondContact N-O 3.46Å; S521-A530 PolarHBondContact O-N 3.16Å; A530-W532 HydrophobicContact CB-CZ2 3.88Å; A530-W532 PolarHBondContact O-NE1 2.85Å; A530-W532 VanDerWaalsContact O-NE1 3.12Å; A530-K538 HydrophobicContact CB-CD 4.41Å; A530-K538 HydrophobicContact CB-CG 4.49Å; A530-A540 WeakPolarHBondContact CA-O 3.5Å; A530-E541 HydrophobicContact CB-CB 4.24Å
531	L	97.8	Very high	96.3	Very high	36 Å²	36	50.1 Å²	50.1	19%	0.188	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138	175.5	-179.8	65.9	0	0	0	110.4	M519 V520 K538 Q539 A540 F576	M519-L531 CarbonylContact O-C 3.6Å; V520-L531 HydrophobicContact CG2-CD1 3.93Å; L531-K538 CarbonylContact O-C 3.36Å; L531-K538 WeakPolarHBondContact O-CA 3.15Å; L531-Q539 HydrophobicContact CD2-CB 4.39Å; L531-Q539 HydrophobicContact CG-CB 4.38Å; L531-Q539 PolarHBondContact O-N 3.02Å; L531-A540 HydrophobicContact CB-CB 4.36Å; L531-A540 PolarHBondContact N-O 3.35Å; L531-F576 HydrophobicContact CB-CD1 4.36Å; L531-F576 HydrophobicContact CB-CD2 4.29Å; L531-F576 HydrophobicContact CB-CE1 3.93Å; L531-F576 HydrophobicContact CB-CE2 3.86Å; L531-F576 HydrophobicContact CB-CZ 3.66Å; L531-F576 HydrophobicContact CD1-CE2 4.49Å; L531-F576 HydrophobicContact CD2-CD2 4.28Å; L531-F576 HydrophobicContact CD2-CG 4.37Å
532	W	97.6	Very high	96.2	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142	-175.6	-49.3	83	0	0	0	111	L486 V500 A503 T518 M519 S521 A530 R537 K538	L486-W532 HydrophobicContact CD1-CD2 4.4Å; L486-W532 HydrophobicContact CD1-CH2 4.39Å; L486-W532 HydrophobicContact CD1-CZ2 4.09Å; V500-W532 HydrophobicContact CG1-CH2 4.32Å; V500-W532 HydrophobicContact CG1-CZ3 3.89Å; A503-W532 HydrophobicContact CB-CH2 3.49Å; A503-W532 VanDerWaalsContact CB-CH2 3.49Å; A503-W532 HydrophobicContact CB-CZ2 3.77Å; A503-W532 HydrophobicContact CB-CZ3 4.47Å; T518-W532 WeakPolarHBondContact CB-O 3.5Å; M519-W532 HydrophobicContact CB-CB 4.35Å; M519-W532 HydrophobicContact CE-CB 3.91Å; M519-W532 HydrophobicContact CE-CD2 4.26Å; M519-W532 HydrophobicContact CE-CG 3.64Å; M519-W532 PolarHBondContact N-O 3.01Å; M519-W532 VanDerWaalsContact N-O 3.08Å; M519-W532 PolarHBondContact O-N 3.45Å; S521-W532 PolarHBondContact OG-NE1 2.94Å; A530-W532 HydrophobicContact CB-CZ2 3.88Å; A530-W532 PolarHBondContact O-NE1 2.85Å; A530-W532 VanDerWaalsContact O-NE1 3.12Å; W532-R537 WeakPolarHBondContact CA-O 3.44Å; W532-K538 HydrophobicContact CD2-CB 4.43Å; W532-K538 HydrophobicContact CE3-CB 3.86Å; W532-K538 VanDerWaalsContact CE3-N 3.32Å; W532-K538 HydrophobicContact CH2-CB 4.04Å; W532-K538 VanDerWaalsContact CH2-CE 3.45Å; W532-K538 HydrophobicContact CH2-CG 4.45Å; W532-K538 HydrophobicContact CZ3-CB 3.65Å; W532-K538 HydrophobicContact CZ3-CG 4.49Å
533	D	95.7	Very high	96.2	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.16	26%	0.255	C	S	.	.			trans	-76	174.5	171.1	73.7	4.8	0	0	0	112.5	N535 Y536 R537 Q539	D533-N535 PolarHBondContact O-N 3.44Å; D533-N535 VanDerWaalsContact OD1-C 3.27Å; D533-N535 VanDerWaalsContact OD1-CA 3.3Å; D533-N535 WeakPolarHBondContact OD1-CA 3.29Å; D533-N535 WeakPolarHBondContact OD1-CB 3.42Å; D533-N535 PolarHBondContact OD1-N 3.22Å; D533-Y536 WeakPolarHBondContact O-CA 3.35Å; D533-Y536 PolarHBondContact O-N 3.19Å; D533-Y536 PolarHBondContact OD1-N 3.06Å; D533-Y536 VanDerWaalsContact OD1-N 3.09Å; D533-R537 PolarHBondContact N-O 2.84Å; D533-R537 WeakPolarHBondContact OD1-CB 3.32Å; D533-R537 PolarHBondContact OD1-N 3.46Å; D533-Q539 HydrophobicContact CB-CG 4.13Å; D533-Q539 PolarHBondContact OD2-NE2 2.69Å
534	H	93.1	Very high	96.3	Very high	111 Å²	111	55.4 Å²	55.4	51%	0.514	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-11.9	175.9	-49.3	77.7	0	0	0	114.5	D516 G517	D516-H534 PolarHBondContact O-NE2 2.66Å; G517-H534 VanDerWaalsContact C-CD2 3.46Å; G517-H534 PolarHBondContact O-CD2 2.98Å; G517-H534 VanDerWaalsContact O-CD2 3.29Å
535	N	93.3	Very high	96.4	Very high	97 Å²	97	57.1 Å²	57.1	52%	0.519	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	9.5	176.4	-55.8	-80.4	0	0	0	112.1	Q498 D533 R537	Q498-N535 PolarHBondContact NE2-O 2.9Å; D533-N535 PolarHBondContact O-N 3.44Å; D533-N535 VanDerWaalsContact OD1-C 3.27Å; D533-N535 VanDerWaalsContact OD1-CA 3.3Å; D533-N535 WeakPolarHBondContact OD1-CA 3.29Å; D533-N535 WeakPolarHBondContact OD1-CB 3.42Å; D533-N535 PolarHBondContact OD1-N 3.22Å; N535-R537 VanDerWaalsContact C-N 3.34Å; N535-R537 HydrophobicContact CB-CG 4.3Å; N535-R537 PolarHBondContact O-N 3.08Å
536	Y	94.9	Very high	96.4	Very high	29 Å²	29	56 Å²	56	11%	0.114	27%	0.27	C	S	.	.	S	Bend	trans	61.3	35.3	-176.9	-45.5	-83.7	0	0	0	113.8	I478 V488 M519 D533	I478-Y536 HydrophobicContact CD1-CE1 3.78Å; I478-Y536 HydrophobicContact CG1-CE1 4.07Å; V488-Y536 HydrophobicContact CG2-CD1 4.44Å; V488-Y536 HydrophobicContact CG2-CD2 4.3Å; V488-Y536 HydrophobicContact CG2-CE1 3.98Å; V488-Y536 HydrophobicContact CG2-CE2 3.84Å; M519-Y536 HydrophobicContact CE-CD1 3.99Å; M519-Y536 HydrophobicContact SD-CD1 4.45Å; M519-Y536 HydrophobicContact SD-CE1 4.48Å; D533-Y536 WeakPolarHBondContact O-CA 3.35Å; D533-Y536 PolarHBondContact O-N 3.19Å; D533-Y536 PolarHBondContact OD1-N 3.06Å; D533-Y536 VanDerWaalsContact OD1-N 3.09Å
537	R	96.3	Very high	96.2	Very high	165 Å²	165	61.6 Å²	61.6	62%	0.623	30%	0.299	S	S	*	.			trans	-98.3	127	172.6	-56.3	174.7	177.7	176.4	0.3	110.1	W532 D533 N535 Q539	W532-R537 WeakPolarHBondContact CA-O 3.44Å; D533-R537 PolarHBondContact N-O 2.84Å; D533-R537 WeakPolarHBondContact OD1-CB 3.32Å; D533-R537 PolarHBondContact OD1-N 3.46Å; N535-R537 VanDerWaalsContact C-N 3.34Å; N535-R537 HydrophobicContact CB-CG 4.3Å; N535-R537 PolarHBondContact O-N 3.08Å; R537-Q539 PolarHBondContact O-N 2.83Å; R537-Q539 PolarHBondContact O-NE2 2.85Å
538	K	96.6	Very high	96.1	Very high	81 Å²	81	60.3 Å²	60.3	35%	0.352	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	123.5	177.5	-170.2	178.3	-71.4	-171.5	0	110.2	A503 A530 L531 W532 E541	A503-K538 PolarHBondContact O-NZ 2.88Å; A503-K538 VanDerWaalsContact O-NZ 3.08Å; A530-K538 HydrophobicContact CB-CD 4.41Å; A530-K538 HydrophobicContact CB-CG 4.49Å; L531-K538 CarbonylContact O-C 3.36Å; L531-K538 WeakPolarHBondContact O-CA 3.15Å; W532-K538 HydrophobicContact CD2-CB 4.43Å; W532-K538 HydrophobicContact CE3-CB 3.86Å; W532-K538 VanDerWaalsContact CE3-N 3.32Å; W532-K538 HydrophobicContact CH2-CB 4.04Å; W532-K538 VanDerWaalsContact CH2-CE 3.45Å; W532-K538 HydrophobicContact CH2-CG 4.45Å; W532-K538 HydrophobicContact CZ3-CB 3.65Å; W532-K538 HydrophobicContact CZ3-CG 4.49Å; K538-E541 HydrophobicContact CD-CB 4.41Å; K538-E541 HydrophobicContact CD-CG 4.49Å; K538-E541 VanDerWaalsContact CD-OE2 3.31Å; K538-E541 WeakPolarHBondContact CD-OE2 3.45Å; K538-E541 WeakPolarHBondContact CE-OE2 3.37Å; K538-E541 IonicContact NZ-OE2 3.29Å; K538-E541 PolarHBondContact NZ-OE2 2.89Å
539	Q	96.8	Very high	95.9	Very high	117 Å²	117	58.3 Å²	58.3	55%	0.547	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-42.8	178.8	-58.5	-57.2	-55.8	0	0	111.7	L531 D533 R537	L531-Q539 HydrophobicContact CD2-CB 4.39Å; L531-Q539 HydrophobicContact CG-CB 4.38Å; L531-Q539 PolarHBondContact O-N 3.02Å; D533-Q539 HydrophobicContact CB-CG 4.13Å; D533-Q539 PolarHBondContact OD2-NE2 2.69Å; R537-Q539 PolarHBondContact O-N 2.83Å; R537-Q539 PolarHBondContact O-NE2 2.85Å
540	A	96.3	Very high	95.9	Very high	28 Å²	28	60 Å²	60	23%	0.231	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159.3	-179	0	0	0	0	0	110.4	A530 L531 F576	A530-A540 WeakPolarHBondContact CA-O 3.5Å; L531-A540 HydrophobicContact CB-CB 4.36Å; L531-A540 PolarHBondContact N-O 3.35Å; A540-F576 HydrophobicContact CB-CD1 3.69Å; A540-F576 HydrophobicContact CB-CE1 4.08Å
541	E	96.8	Very high	95.9	Very high	77 Å²	77	60 Å²	60	36%	0.36	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.1	169.1	59.4	177.3	-137.3	0	0	111.2	K528 V529 A530 K538	K528-E541 WeakPolarHBondContact CD-OE1 3.43Å; K528-E541 WeakPolarHBondContact CE-OE1 3.03Å; K528-E541 IonicContact NZ-OE1 2.68Å; K528-E541 PolarHBondContact NZ-OE1 2.97Å; V529-E541 CarbonylContact O-C 3.56Å; V529-E541 VanDerWaalsContact O-CA 3.29Å; V529-E541 WeakPolarHBondContact O-CA 3.26Å; A530-E541 HydrophobicContact CB-CB 4.24Å; K538-E541 HydrophobicContact CD-CB 4.41Å; K538-E541 HydrophobicContact CD-CG 4.49Å; K538-E541 VanDerWaalsContact CD-OE2 3.31Å; K538-E541 WeakPolarHBondContact CD-OE2 3.45Å; K538-E541 WeakPolarHBondContact CE-OE2 3.37Å; K538-E541 IonicContact NZ-OE2 3.29Å; K538-E541 PolarHBondContact NZ-OE2 2.89Å
542	M	96.9	Very high	95.9	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.059	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.7	179.4	-66.9	165.1	73.7	0	0	108.6	K528 V529 A575 F576 P577 T579 L580	K528-M542 CarbonylContact C-O 3.55Å; K528-M542 VanDerWaalsContact CA-O 3.28Å; K528-M542 WeakPolarHBondContact CA-O 3.42Å; V529-M542 PolarHBondContact N-O 2.95Å; V529-M542 PolarHBondContact O-N 2.91Å; M542-A575 WeakPolarHBondContact CE-O 3.35Å; M542-F576 HydrophobicContact CB-CE1 4.49Å; M542-F576 HydrophobicContact CG-CD1 3.79Å; M542-F576 HydrophobicContact CG-CE1 3.82Å; M542-F576 HydrophobicContact SD-CB 4.31Å; M542-F576 HydrophobicContact SD-CD1 3.34Å; M542-F576 WeakPolarHBondContact SD-CD1 3.49Å; M542-F576 HydrophobicContact SD-CD2 4.34Å; M542-F576 HydrophobicContact SD-CE1 3.61Å; M542-F576 HydrophobicContact SD-CG 3.75Å; M542-F576 HydrophobicContact SD-CZ 4.21Å; M542-P577 WeakPolarHBondContact CG-O 3.4Å; M542-T579 WeakPolarHBondContact CE-O 3.48Å; M542-L580 HydrophobicContact CE-CD1 4.42Å; M542-L580 HydrophobicContact CE-CD2 3.62Å; M542-L580 HydrophobicContact CE-CG 3.62Å
543	E	97.6	Very high	95.9	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.463	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.8	178	-167.8	-179.3	146.6	0	0	111.3	R527 K528 L580	R527-E543 HydrophobicContact CB-CG 4.33Å; R527-E543 IonicContact CZ-OE1 2.82Å; R527-E543 IonicContact NE-OE1 2.69Å; R527-E543 PolarHBondContact NE-OE1 2.82Å; R527-E543 IonicContact NH2-OE1 3.52Å; R527-E543 PolarHBondContact NH2-OE1 2.89Å; K528-E543 HydrophobicContact CG-CB 4.37Å; K528-E543 HydrophobicContact CG-CG 4.38Å; E543-L580 WeakPolarHBondContact O-CD1 3.46Å
544	V	97.4	Very high	96	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-75.2	127.8	172.8	176.3	0	0	0	0	109.8	R527 V529 L548 G549 V551 V564 T566 I572	R527-V544 HydrophobicContact CB-CB 4.31Å; R527-V544 WeakPolarHBondContact CB-O 3.28Å; R527-V544 WeakPolarHBondContact CD-O 3.37Å; R527-V544 PolarHBondContact NE-O 2.78Å; R527-V544 WeakPolarHBondContact O-CB 3.43Å; R527-V544 PolarHBondContact O-N 2.88Å; V529-V544 HydrophobicContact CG2-CG2 4.12Å; V544-L548 HydrophobicContact CG1-CB 3.85Å; V544-G549 VanDerWaalsContact CG1-O 3.3Å; V544-G549 WeakPolarHBondContact CG1-O 3.49Å; V544-V551 HydrophobicContact CG2-CG2 4.05Å; V544-V564 HydrophobicContact CG2-CG1 4.38Å; V544-T566 HydrophobicContact CG1-CG2 4.14Å; V544-I572 HydrophobicContact CB-CD1 4.46Å; V544-I572 HydrophobicContact CG1-CD1 3.51Å; V544-I572 HydrophobicContact CG2-CD1 4.14Å
545	G	95.2	Very high	96.2	Very high	40 Å²	40	53.9 Å²	53.9	41%	0.412	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-57.1	142.8	-178.7	0	0	0	0	0	113.6	L547 L548 G549	G545-L547 PolarHBondContact O-N 2.85Å; G545-L547 VanDerWaalsContact O-N 3.11Å; G545-L548 WeakPolarHBondContact O-CA 3.34Å; G545-L548 PolarHBondContact O-N 3.47Å; G545-G549 PolarHBondContact O-N 3.47Å
546	E	93.9	Very high	96.4	Very high	132 Å²	132	51.4 Å²	51.4	62%	0.617	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.3	-172.4	-177.7	166.8	172.7	0	0	115	R527 L548 G549 K568	R527-E546 IonicContact NH1-OE2 2.99Å; E546-L548 VanDerWaalsContact C-N 3.28Å; E546-L548 PolarHBondContact O-N 2.89Å; E546-G549 PolarHBondContact O-N 3.02Å; E546-K568 PolarHBondContact O-NZ 3.1Å
547	L	92.4	Very high	96.3	Very high	130 Å²	130	50.2 Å²	50.2	68%	0.681	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.2	175.6	-64.4	178.9	0	0	0	112.6	G545 K568	G545-L547 PolarHBondContact O-N 2.85Å; G545-L547 VanDerWaalsContact O-N 3.11Å; L547-K568 WeakPolarHBondContact O-CD 3.22Å
548	L	94.9	Very high	96.1	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.157	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-21.7	177.2	-56.6	176	0	0	0	112.4	V544 G545 E546 T566 K568 A570 I572 P582	V544-L548 HydrophobicContact CG1-CB 3.85Å; G545-L548 WeakPolarHBondContact O-CA 3.34Å; G545-L548 PolarHBondContact O-N 3.47Å; E546-L548 VanDerWaalsContact C-N 3.28Å; E546-L548 PolarHBondContact O-N 2.89Å; L548-T566 HydrophobicContact CB-CG2 4.48Å; L548-T566 WeakPolarHBondContact O-CB 3.47Å; L548-T566 PolarHBondContact O-OG1 3.12Å; L548-K568 WeakPolarHBondContact O-CB 3.33Å; L548-A570 HydrophobicContact CD2-CB 4.07Å; L548-I572 HydrophobicContact CB-CD1 4.14Å; L548-I572 HydrophobicContact CD1-CD1 3.62Å; L548-I572 HydrophobicContact CD1-CG1 4.03Å; L548-I572 HydrophobicContact CG-CD1 4.5Å; L548-P582 HydrophobicContact CD1-CB 4.27Å; L548-P582 HydrophobicContact CD2-CB 4.37Å
549	G	94.9	Very high	95.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	27%	0.267	C	S	.	.			trans	78.5	-177.2	166.3	0	0	0	0	0	116.4	V544 G545 E546	V544-G549 VanDerWaalsContact CG1-O 3.3Å; V544-G549 WeakPolarHBondContact CG1-O 3.49Å; G545-G549 PolarHBondContact O-N 3.47Å; E546-G549 PolarHBondContact O-N 3.02Å
550	P	97.2	Very high	95.4	Very high	39 Å²	39	47.1 Å²	47.1	25%	0.253	28%	0.276	S	S	.	.	S	Bend	trans	-47.4	147	-179.3	-34	36.9	0	0	0	116.3	G524 T566 T567	G524-P550 WeakPolarHBondContact O-CB 3.46Å; G524-P550 WeakPolarHBondContact O-CG 3.24Å; P550-T566 CarbonylContact O-C 3.49Å; P550-T566 WeakPolarHBondContact O-CA 3.47Å; P550-T566 WeakPolarHBondContact O-CB 3.39Å; P550-T567 HydrophobicContact CB-CG2 3.89Å; P550-T567 WeakPolarHBondContact CB-OG1 3.49Å; P550-T567 WeakPolarHBondContact CD-OG1 3.11Å; P550-T567 PolarHBondContact O-N 2.82Å
551	V	98.2	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.1	173.3	-176.7	0	0	0	0	110.2	G523 V529 V544 L554 V564	G523-V551 PolarHBondContact O-N 2.73Å; V529-V551 HydrophobicContact CG2-CG2 3.71Å; V544-V551 HydrophobicContact CG2-CG2 4.05Å; V551-L554 HydrophobicContact CG1-CD2 3.99Å; V551-L554 HydrophobicContact CG1-CG 4.32Å; V551-V564 HydrophobicContact CB-CG1 4.41Å; V551-V564 HydrophobicContact CG1-CG1 3.76Å; V551-V564 HydrophobicContact CG2-CG1 4.03Å
552	R	97.8	Very high	95.3	Very high	28 Å²	28	43.5 Å²	43.5	11%	0.106	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-45.8	177	173.6	61.8	78.1	-133.5	6.6	113.1	G276 R277 C279 F509 G565 T567	G276-R552 WeakPolarHBondContact O-CG 3.3Å; G276-R552 PolarHBondContact O-NE 3.38Å; R277-R552 PolarHBondContact O-NH2 3.34Å; C279-R552 WeakPolarHBondContact O-CD 3.21Å; C279-R552 WeakPolarHBondContact O-CG 3.25Å; C279-R552 PolarHBondContact O-NE 3.4Å; F509-R552 VanDerWaalsContact CE1-NH1 3.29Å; F509-R552 VanDerWaalsContact CG-NH1 3.3Å; R552-G565 WeakPolarHBondContact CA-O 3.35Å; R552-G565 WeakPolarHBondContact CB-O 3.41Å; R552-G565 PolarHBondContact N-O 3.02Å; R552-T567 HydrophobicContact CB-CG2 4.04Å; R552-T567 VanDerWaalsContact CZ-CG2 3.48Å
553	A	97.8	Very high	95.4	Very high	4 Å²	4	43 Å²	43	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.3	-172.8	0	0	0	0	0	110.7	Y274 L283 G565	Y274-A553 WeakPolarHBondContact OH-CB 3.47Å; L283-A553 HydrophobicContact CB-CB 4.18Å; A553-G565 PolarHBondContact N-O 3Å; A553-G565 PolarHBondContact O-N 2.82Å
554	L	98.2	Very high	95.4	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.4	177.8	-65.3	177.8	0	0	0	109.6	S510 C512 V520 V529 V551 L562 F563 V564	S510-L554 PolarHBondContact OG-N 3.11Å; S510-L554 VanDerWaalsContact OG-N 3.15Å; C512-L554 HydrophobicContact CB-CB 3.85Å; C512-L554 HydrophobicContact CB-CD1 4.43Å; V520-L554 HydrophobicContact CB-CD1 4.23Å; V520-L554 HydrophobicContact CG1-CD1 3.87Å; V529-L554 HydrophobicContact CG1-CD2 4.31Å; V551-L554 HydrophobicContact CG1-CD2 3.99Å; V551-L554 HydrophobicContact CG1-CG 4.32Å; L554-L562 HydrophobicContact CD2-CD2 4.12Å; L554-F563 WeakPolarHBondContact CA-O 3.41Å; L554-V564 HydrophobicContact CD2-CB 4.26Å; L554-V564 HydrophobicContact CD2-CG1 4.02Å; L554-V564 HydrophobicContact CD2-CG2 3.84Å
555	A	97.3	Very high	95.5	Very high	7 Å²	7	38.3 Å²	38.3	6%	0.058	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.4	170.9	0	0	0	0	0	110.1	L283 L562 F563	L283-A555 HydrophobicContact CG-CB 4.03Å; A555-L562 WeakPolarHBondContact O-CD1 3.49Å; A555-F563 HydrophobicContact CB-CB 4.43Å; A555-F563 PolarHBondContact N-O 3.03Å; A555-F563 PolarHBondContact O-N 2.92Å
556	E	96.1	Very high	95.7	Very high	46 Å²	46	36.4 Å²	36.4	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	135	172.5	-177.6	-173.1	-142.5	0	0	110.7	L514 K515	L514-E556 HydrophobicContact CD2-CB 3.94Å; L514-E556 HydrophobicContact CD2-CG 3.97Å; K515-E556 WeakPolarHBondContact CB-OE1 3.31Å; K515-E556 WeakPolarHBondContact CD-OE2 3.08Å; K515-E556 VanDerWaalsContact CE-OE2 3.29Å; K515-E556 WeakPolarHBondContact CE-OE2 3.33Å; K515-E556 WeakPolarHBondContact CG-OE1 3.47Å; K515-E556 VanDerWaalsContact CG-OE2 3.3Å; K515-E556 WeakPolarHBondContact CG-OE2 3.2Å; K515-E556 PolarHBondContact N-OE1 2.83Å; K515-E556 IonicContact NZ-OE2 2.66Å; K515-E556 PolarHBondContact NZ-OE2 2.94Å
557	G	93.9	Very high	95.8	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	19%	0.189	C	C	.	.			trans	-93.1	-147.3	177.8	0	0	0	0	0	113.6	L285 E561	L285-G557 VanDerWaalsContact CD2-C 3.46Å; G557-E561 WeakPolarHBondContact CA-O 3.33Å; G557-E561 PolarHBondContact N-O 2.93Å
558	K	91.3	Very high	96	Very high	85 Å²	85	29.1 Å²	29.1	37%	0.37	17%	0.173	S	C	.	.	S	Bend	trans	-65	167.2	159.7	-63.2	169	-172.9	175.2	0	109.6	E305 G560 E561	E305-K558 VanDerWaalsContact CG-NZ 3.32Å; E305-K558 IonicContact OE1-NZ 2.76Å; E305-K558 PolarHBondContact OE1-NZ 2.84Å; K558-G560 PolarHBondContact O-N 3.27Å; K558-G560 VanDerWaalsContact O-N 3.12Å; K558-E561 HydrophobicContact CB-CB 4.44Å; K558-E561 WeakPolarHBondContact CB-OE2 3.32Å; K558-E561 WeakPolarHBondContact CG-OE2 3.47Å; K558-E561 PolarHBondContact N-OE2 3.38Å; K558-E561 WeakPolarHBondContact O-CB 3.35Å; K558-E561 PolarHBondContact O-N 2.84Å
559	P	90.7	Very high	96.2	Very high	142 Å²	142	27.8 Å²	27.8	92%	0.922	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	121	179.1	-27.8	36.4	0	0	0	112.6
560	G	88.6	Confident	96.3	Very high	71 Å²	71	27.8 Å²	27.8	73%	0.732	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	-1.6	-175.5	0	0	0	0	0	115.7	K558 A575	K558-G560 PolarHBondContact O-N 3.27Å; K558-G560 VanDerWaalsContact O-N 3.12Å; G560-A575 WeakPolarHBondContact O-CB 3.47Å
561	E	94.7	Very high	96.4	Very high	23 Å²	23	26 Å²	26	11%	0.107	16%	0.155	C	C	.	.			trans	-113.8	151.4	-178	175.5	-174.6	-121	0	0	111.7	G557 K558 F563 R573	G557-E561 WeakPolarHBondContact CA-O 3.33Å; G557-E561 PolarHBondContact N-O 2.93Å; K558-E561 HydrophobicContact CB-CB 4.44Å; K558-E561 WeakPolarHBondContact CB-OE2 3.32Å; K558-E561 WeakPolarHBondContact CG-OE2 3.47Å; K558-E561 PolarHBondContact N-OE2 3.38Å; K558-E561 WeakPolarHBondContact O-CB 3.35Å; K558-E561 PolarHBondContact O-N 2.84Å; E561-F563 HydrophobicContact CG-CE2 4.34Å; E561-F563 HydrophobicContact CG-CZ 4.27Å; E561-R573 HydrophobicContact CG-CG 4.48Å; E561-R573 IonicContact OE1-CZ 2.7Å; E561-R573 IonicContact OE1-NE 2.72Å; E561-R573 PolarHBondContact OE1-NE 3.19Å; E561-R573 IonicContact OE1-NH2 3.21Å; E561-R573 PolarHBondContact OE1-NH2 2.97Å
562	L	96.9	Very high	96.4	Very high	6 Å²	6	26 Å²	26	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.2	179.3	-178.5	78.2	0	0	0	109.1	V520 V529 L554 A555 V564 A574	V520-L562 HydrophobicContact CG1-CD2 3.85Å; V520-L562 HydrophobicContact CG2-CD1 4.43Å; V529-L562 HydrophobicContact CG1-CD2 3.64Å; L554-L562 HydrophobicContact CD2-CD2 4.12Å; A555-L562 WeakPolarHBondContact O-CD1 3.49Å; L562-V564 HydrophobicContact CD2-CG2 3.9Å; L562-V564 HydrophobicContact CG-CG2 4.24Å; L562-A574 HydrophobicContact CB-CB 4.28Å; L562-A574 HydrophobicContact CD2-CB 4.5Å; L562-A574 PolarHBondContact N-O 2.75Å; L562-A574 WeakPolarHBondContact O-CA 3.47Å; L562-A574 PolarHBondContact O-N 2.83Å
563	F	98.3	Very high	96.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.6	167.9	-61.4	-78.6	0	0	0	110.5	L283 L285 I291 T304 L554 A555 E561 I571 I572 R573 I583	L283-F563 HydrophobicContact CD2-CB 3.96Å; L285-F563 HydrophobicContact CD1-CE2 4.26Å; L285-F563 HydrophobicContact CD2-CE2 4.32Å; I291-F563 HydrophobicContact CG2-CD1 4.07Å; I291-F563 HydrophobicContact CG2-CD2 3.74Å; I291-F563 HydrophobicContact CG2-CE1 3.96Å; I291-F563 HydrophobicContact CG2-CE2 3.62Å; I291-F563 HydrophobicContact CG2-CG 3.97Å; I291-F563 HydrophobicContact CG2-CZ 3.73Å; T304-F563 HydrophobicContact CG2-CE1 4.47Å; L554-F563 WeakPolarHBondContact CA-O 3.41Å; A555-F563 HydrophobicContact CB-CB 4.43Å; A555-F563 PolarHBondContact N-O 3.03Å; A555-F563 PolarHBondContact O-N 2.92Å; E561-F563 HydrophobicContact CG-CE2 4.34Å; E561-F563 HydrophobicContact CG-CZ 4.27Å; F563-I571 HydrophobicContact CB-CG2 4.4Å; F563-I572 WeakPolarHBondContact CA-O 3.23Å; F563-R573 HydrophobicContact CD1-CB 4.46Å; F563-R573 HydrophobicContact CE1-CB 4.2Å; F563-R573 HydrophobicContact CE1-CG 4.09Å; F563-I583 HydrophobicContact CD1-CD1 3.85Å; F563-I583 HydrophobicContact CE1-CD1 3.79Å
564	V	98.6	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	108.7	-175.9	-173.3	0	0	0	0	108.7	V529 V544 V551 L554 L562 I571 I572 A574	V529-V564 HydrophobicContact CG2-CG1 4.03Å; V529-V564 HydrophobicContact CG2-CG2 4.08Å; V544-V564 HydrophobicContact CG2-CG1 4.38Å; V551-V564 HydrophobicContact CB-CG1 4.41Å; V551-V564 HydrophobicContact CG1-CG1 3.76Å; V551-V564 HydrophobicContact CG2-CG1 4.03Å; L554-V564 HydrophobicContact CD2-CB 4.26Å; L554-V564 HydrophobicContact CD2-CG1 4.02Å; L554-V564 HydrophobicContact CD2-CG2 3.84Å; L562-V564 HydrophobicContact CD2-CG2 3.9Å; L562-V564 HydrophobicContact CG-CG2 4.24Å; V564-I571 WeakPolarHBondContact O-CA 3.37Å; V564-I572 HydrophobicContact CB-CB 4.28Å; V564-I572 PolarHBondContact N-O 2.86Å; V564-I572 PolarHBondContact O-N 2.87Å; V564-A574 HydrophobicContact CG2-CB 3.87Å
565	G	98.6	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.3	170.2	0	0	0	0	0	110.2	R552 A553 A570	R552-G565 WeakPolarHBondContact CA-O 3.35Å; R552-G565 WeakPolarHBondContact CB-O 3.41Å; R552-G565 PolarHBondContact N-O 3.02Å; A553-G565 PolarHBondContact N-O 3Å; A553-G565 PolarHBondContact O-N 2.82Å; G565-A570 WeakPolarHBondContact CA-O 3.29Å
566	T	98.6	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	166.5	-175.3	77.6	0	0	0	0	113.2	G276 V544 L548 P550 K568 A570 I572	G276-T566 CarbonylContact C-O 3.58Å; G276-T566 VanDerWaalsContact CA-O 3.3Å; G276-T566 WeakPolarHBondContact CA-O 3.49Å; V544-T566 HydrophobicContact CG1-CG2 4.14Å; L548-T566 HydrophobicContact CB-CG2 4.48Å; L548-T566 WeakPolarHBondContact O-CB 3.47Å; L548-T566 PolarHBondContact O-OG1 3.12Å; P550-T566 CarbonylContact O-C 3.49Å; P550-T566 WeakPolarHBondContact O-CA 3.47Å; P550-T566 WeakPolarHBondContact O-CB 3.39Å; T566-K568 VanDerWaalsContact C-N 3.26Å; T566-K568 PolarHBondContact O-N 2.87Å; T566-K568 PolarHBondContact OG1-N 3.13Å; T566-A570 PolarHBondContact N-O 3.01Å; T566-A570 PolarHBondContact OG1-N 2.92Å; T566-I572 HydrophobicContact CG2-CD1 3.71Å; T566-I572 HydrophobicContact CG2-CG1 4.26Å
567	T	97.3	Very high	96	Very high	27 Å²	27	33.2 Å²	33.2	17%	0.166	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.3	175.1	67.2	0	0	0	0	114.2	R277 P550 R552 N569	R277-T567 WeakPolarHBondContact CA-O 3.37Å; P550-T567 HydrophobicContact CB-CG2 3.89Å; P550-T567 WeakPolarHBondContact CB-OG1 3.49Å; P550-T567 WeakPolarHBondContact CD-OG1 3.11Å; P550-T567 PolarHBondContact O-N 2.82Å; R552-T567 HydrophobicContact CB-CG2 4.04Å; R552-T567 VanDerWaalsContact CZ-CG2 3.48Å; T567-N569 VanDerWaalsContact C-N 3.32Å
568	K	97.1	Very high	95.8	Very high	81 Å²	81	39 Å²	39	35%	0.352	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	42.4	169.2	-63.7	-179.1	169.1	177.5	0	111.8	E546 L547 L548 T566 A570 T588	E546-K568 PolarHBondContact O-NZ 3.1Å; L547-K568 WeakPolarHBondContact O-CD 3.22Å; L548-K568 WeakPolarHBondContact O-CB 3.33Å; T566-K568 VanDerWaalsContact C-N 3.26Å; T566-K568 PolarHBondContact O-N 2.87Å; T566-K568 PolarHBondContact OG1-N 3.13Å; K568-A570 PolarHBondContact O-N 2.9Å; K568-T588 VanDerWaalsContact C-CG2 3.47Å; K568-T588 VanDerWaalsContact CA-CG2 3.42Å; K568-T588 HydrophobicContact CB-CG2 3.79Å; K568-T588 HydrophobicContact CG-CG2 4.33Å
569	N	98.1	Very high	96	Very high	3 Å²	3	38 Å²	38	2%	0.016	23%	0.228	C	C	.	.	S	Bend	trans	52.9	30.7	168.9	-70.6	0.8	0	0	0	116	Y274 G276 R277 T567 H587 T588 T852	Y274-N569 PolarHBondContact N-O 2.74Å; Y274-N569 VanDerWaalsContact N-O 3.1Å; Y274-N569 CarbonylContact O-C 3.57Å; Y274-N569 WeakPolarHBondContact O-CA 3.34Å; Y274-N569 WeakPolarHBondContact O-CB 3.47Å; Y274-N569 PolarHBondContact O-OD1 2.88Å; Y274-N569 VanDerWaalsContact O-OD1 3.06Å; G276-N569 PolarHBondContact N-OD1 3.02Å; R277-N569 PolarHBondContact N-OD1 3.31Å; T567-N569 VanDerWaalsContact C-N 3.32Å; N569-H587 WeakPolarHBondContact CB-O 3.49Å; N569-H587 PolarHBondContact ND2-O 2.99Å; N569-T588 HydrophobicContact CB-CG2 4.06Å; N569-T852 PolarHBondContact ND2-OG1 3.49Å
570	A	98.1	Very high	96.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	20%	0.197	C	C	.	.			trans	-113.3	154.9	177.4	0	0	0	0	0	112.2	Y274 L548 G565 T566 K568 V584 Q585	Y274-A570 WeakPolarHBondContact CD1-O 3.5Å; L548-A570 HydrophobicContact CD2-CB 4.07Å; G565-A570 WeakPolarHBondContact CA-O 3.29Å; T566-A570 PolarHBondContact N-O 3.01Å; T566-A570 PolarHBondContact OG1-N 2.92Å; K568-A570 PolarHBondContact O-N 2.9Å; A570-V584 CarbonylContact C-O 3.59Å; A570-V584 WeakPolarHBondContact CA-O 3.36Å; A570-V584 WeakPolarHBondContact CB-O 3.4Å; A570-Q585 HydrophobicContact CB-CG 4.4Å
571	I	98.6	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	167.3	-57.8	168.8	0	0	0	108.2	Y274 L283 I291 Y293 F563 V564 I583 V584	Y274-I571 HydrophobicContact CD1-CG1 3.84Å; Y274-I571 HydrophobicContact CD2-CD1 3.84Å; Y274-I571 HydrophobicContact CD2-CG1 4.04Å; Y274-I571 HydrophobicContact CE1-CG1 4.47Å; Y274-I571 HydrophobicContact CG-CD1 3.79Å; Y274-I571 HydrophobicContact CG-CG1 3.58Å; L283-I571 HydrophobicContact CD1-CD1 3.82Å; L283-I571 HydrophobicContact CD1-CG1 4.44Å; L283-I571 HydrophobicContact CD1-CG2 4.33Å; L283-I571 HydrophobicContact CD2-CG2 4.1Å; I291-I571 HydrophobicContact CD1-CD1 4.28Å; I291-I571 HydrophobicContact CD1-CG2 4.15Å; Y293-I571 HydrophobicContact CD1-CD1 3.45Å; Y293-I571 VanDerWaalsContact CD1-CD1 3.45Å; Y293-I571 HydrophobicContact CD2-CD1 4.02Å; Y293-I571 HydrophobicContact CE1-CD1 3.69Å; Y293-I571 HydrophobicContact CE2-CD1 4.22Å; Y293-I571 HydrophobicContact CG-CD1 3.63Å; F563-I571 HydrophobicContact CB-CG2 4.4Å; V564-I571 WeakPolarHBondContact O-CA 3.37Å; I571-I583 HydrophobicContact CB-CG1 4.35Å; I571-I583 HydrophobicContact CG2-CD1 4.1Å; I571-I583 HydrophobicContact CG2-CG1 4.14Å; I571-I583 VanDerWaalsContact O-CG1 3.29Å; I571-I583 WeakPolarHBondContact O-CG1 3.29Å; I571-I583 PolarHBondContact O-N 3.3Å; I571-V584 HydrophobicContact CB-CB 3.98Å; I571-V584 HydrophobicContact CB-CG2 4.19Å; I571-V584 HydrophobicContact CD1-CB 4.26Å; I571-V584 HydrophobicContact CD1-CG2 4.09Å; I571-V584 HydrophobicContact CG1-CB 4.23Å; I571-V584 HydrophobicContact CG1-CG2 4.49Å; I571-V584 PolarHBondContact N-O 3.43Å; I571-V584 PolarHBondContact O-N 2.64Å
572	I	98.4	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.6	-177.3	-53.8	171.2	0	0	0	108.7	V544 L548 F563 V564 T566 L580 T581	V544-I572 HydrophobicContact CB-CD1 4.46Å; V544-I572 HydrophobicContact CG1-CD1 3.51Å; V544-I572 HydrophobicContact CG2-CD1 4.14Å; L548-I572 HydrophobicContact CB-CD1 4.14Å; L548-I572 HydrophobicContact CD1-CD1 3.62Å; L548-I572 HydrophobicContact CD1-CG1 4.03Å; L548-I572 HydrophobicContact CG-CD1 4.5Å; F563-I572 WeakPolarHBondContact CA-O 3.23Å; V564-I572 HydrophobicContact CB-CB 4.28Å; V564-I572 PolarHBondContact N-O 2.86Å; V564-I572 PolarHBondContact O-N 2.87Å; T566-I572 HydrophobicContact CG2-CD1 3.71Å; T566-I572 HydrophobicContact CG2-CG1 4.26Å; I572-L580 HydrophobicContact CG2-CB 3.99Å; I572-L580 HydrophobicContact CG2-CD2 3.93Å; I572-T581 CarbonylContact C-O 3.59Å; I572-T581 WeakPolarHBondContact CA-O 3.45Å
573	R	97.6	Very high	96.8	Very high	76 Å²	76	35.3 Å²	35.3	29%	0.287	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	120.7	162.8	-172.7	-175.9	-164.1	160.9	16.8	107.6	E305 E561 F563 T581 I583	E305-R573 IonicContact OE1-CZ 3.7Å; E305-R573 IonicContact OE1-NH1 3.14Å; E305-R573 IonicContact OE1-NH2 2.88Å; E305-R573 PolarHBondContact OE1-NH2 2.8Å; E305-R573 IonicContact OE2-NH1 3.17Å; E561-R573 HydrophobicContact CG-CG 4.48Å; E561-R573 IonicContact OE1-CZ 2.7Å; E561-R573 IonicContact OE1-NE 2.72Å; E561-R573 PolarHBondContact OE1-NE 3.19Å; E561-R573 IonicContact OE1-NH2 3.21Å; E561-R573 PolarHBondContact OE1-NH2 2.97Å; F563-R573 HydrophobicContact CD1-CB 4.46Å; F563-R573 HydrophobicContact CE1-CB 4.2Å; F563-R573 HydrophobicContact CE1-CG 4.09Å; R573-T581 PolarHBondContact N-O 3.22Å; R573-T581 PolarHBondContact O-N 3.05Å; R573-I583 HydrophobicContact CB-CD1 4.4Å; R573-I583 HydrophobicContact CB-CG2 3.92Å
574	A	97.4	Very high	96.8	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.9	-174	0	0	0	0	0	111.6	L562 V564 T579 L580	L562-A574 HydrophobicContact CB-CB 4.28Å; L562-A574 HydrophobicContact CD2-CB 4.5Å; L562-A574 PolarHBondContact N-O 2.75Å; L562-A574 WeakPolarHBondContact O-CA 3.47Å; L562-A574 PolarHBondContact O-N 2.83Å; V564-A574 HydrophobicContact CG2-CB 3.87Å; A574-T579 CarbonylContact C-O 3.53Å; A574-T579 VanDerWaalsContact CA-O 3.24Å; A574-T579 WeakPolarHBondContact CA-O 3.24Å; A574-L580 HydrophobicContact CB-CD2 3.72Å
575	A	96.3	Very high	96.7	Very high	27 Å²	27	37.2 Å²	37.2	22%	0.223	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	132.2	168.5	0	0	0	0	0	110	M542 G560 D578 T579	M542-A575 WeakPolarHBondContact CE-O 3.35Å; G560-A575 WeakPolarHBondContact O-CB 3.47Å; A575-D578 PolarHBondContact O-N 3.06Å; A575-T579 HydrophobicContact CB-CG2 4.47Å; A575-T579 PolarHBondContact N-O 2.84Å; A575-T579 WeakPolarHBondContact O-CB 3.29Å; A575-T579 PolarHBondContact O-N 3Å
576	F	94.4	Very high	96.6	Very high	57 Å²	57	37.6 Å²	37.6	25%	0.25	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	143.4	178.1	-74.7	-83.1	0	0	0	110.9	V520 V529 L531 A540 M542	V520-F576 HydrophobicContact CG1-CE2 4.34Å; V520-F576 HydrophobicContact CG1-CZ 4.34Å; V520-F576 HydrophobicContact CG2-CE2 4.25Å; V529-F576 HydrophobicContact CG1-CZ 4.01Å; L531-F576 HydrophobicContact CB-CD1 4.36Å; L531-F576 HydrophobicContact CB-CD2 4.29Å; L531-F576 HydrophobicContact CB-CE1 3.93Å; L531-F576 HydrophobicContact CB-CE2 3.86Å; L531-F576 HydrophobicContact CB-CZ 3.66Å; L531-F576 HydrophobicContact CD1-CE2 4.49Å; L531-F576 HydrophobicContact CD2-CD2 4.28Å; L531-F576 HydrophobicContact CD2-CG 4.37Å; A540-F576 HydrophobicContact CB-CD1 3.69Å; A540-F576 HydrophobicContact CB-CE1 4.08Å; M542-F576 HydrophobicContact CB-CE1 4.49Å; M542-F576 HydrophobicContact CG-CD1 3.79Å; M542-F576 HydrophobicContact CG-CE1 3.82Å; M542-F576 HydrophobicContact SD-CB 4.31Å; M542-F576 HydrophobicContact SD-CD1 3.34Å; M542-F576 WeakPolarHBondContact SD-CD1 3.49Å; M542-F576 HydrophobicContact SD-CD2 4.34Å; M542-F576 HydrophobicContact SD-CE1 3.61Å; M542-F576 HydrophobicContact SD-CG 3.75Å; M542-F576 HydrophobicContact SD-CZ 4.21Å
577	P	92	Very high	96.6	Very high	90 Å²	90	37.6 Å²	37.6	58%	0.584	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	cis	-94.6	-9.8	11.7	36.8	-35.9	0	0	0	116	M542	M542-P577 WeakPolarHBondContact CG-O 3.4Å
578	D	90.6	Very high	96.6	Very high	124 Å²	124	37.5 Å²	37.5	66%	0.663	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-150.2	-2	-162.6	60.1	-4.2	0	0	0	116.4	A575 L580	A575-D578 PolarHBondContact O-N 3.06Å; D578-L580 PolarHBondContact O-N 2.97Å
579	T	96.1	Very high	96.7	Very high	66 Å²	66	36.2 Å²	36.2	41%	0.405	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.3	179.6	-60.3	0	0	0	0	111.7	M542 A574 A575	M542-T579 WeakPolarHBondContact CE-O 3.48Å; A574-T579 CarbonylContact C-O 3.53Å; A574-T579 VanDerWaalsContact CA-O 3.24Å; A574-T579 WeakPolarHBondContact CA-O 3.24Å; A575-T579 HydrophobicContact CB-CG2 4.47Å; A575-T579 PolarHBondContact N-O 2.84Å; A575-T579 WeakPolarHBondContact O-CB 3.29Å; A575-T579 PolarHBondContact O-N 3Å
580	L	96.9	Very high	96.7	Very high	54 Å²	54	37.3 Å²	37.3	28%	0.283	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.2	168.7	-66.3	173.9	0	0	0	109.6	M542 E543 I572 A574 D578	M542-L580 HydrophobicContact CE-CD1 4.42Å; M542-L580 HydrophobicContact CE-CD2 3.62Å; M542-L580 HydrophobicContact CE-CG 3.62Å; E543-L580 WeakPolarHBondContact O-CD1 3.46Å; I572-L580 HydrophobicContact CG2-CB 3.99Å; I572-L580 HydrophobicContact CG2-CD2 3.93Å; A574-L580 HydrophobicContact CB-CD2 3.72Å; D578-L580 PolarHBondContact O-N 2.97Å
581	T	96.3	Very high	96.7	Very high	68 Å²	68	37.3 Å²	37.3	42%	0.417	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	115.2	179.6	-53.1	0	0	0	0	110.2	I572 R573 I583	I572-T581 CarbonylContact C-O 3.59Å; I572-T581 WeakPolarHBondContact CA-O 3.45Å; R573-T581 PolarHBondContact N-O 3.22Å; R573-T581 PolarHBondContact O-N 3.05Å; T581-I583 PolarHBondContact O-N 3.35Å
582	P	96.6	Very high	96.7	Very high	45 Å²	45	39.3 Å²	39.3	29%	0.292	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.3	172.1	28.3	-33.1	0	0	0	109.6	L548 Q585	L548-P582 HydrophobicContact CD1-CB 4.27Å; L548-P582 HydrophobicContact CD2-CB 4.37Å; P582-Q585 HydrophobicContact CB-CG 4.15Å
583	I	97.1	Very high	96.7	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.087	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-15	179.2	55.1	162.3	0	0	0	112.7	I291 Y302 T304 F563 I571 R573 T581 Q621	I291-I583 HydrophobicContact CD1-CD1 3.72Å; Y302-I583 HydrophobicContact CE1-CB 4.47Å; Y302-I583 WeakPolarHBondContact CE1-O 3.3Å; T304-I583 HydrophobicContact CG2-CD1 3.65Å; F563-I583 HydrophobicContact CD1-CD1 3.85Å; F563-I583 HydrophobicContact CE1-CD1 3.79Å; I571-I583 HydrophobicContact CB-CG1 4.35Å; I571-I583 HydrophobicContact CG2-CD1 4.1Å; I571-I583 HydrophobicContact CG2-CG1 4.14Å; I571-I583 VanDerWaalsContact O-CG1 3.29Å; I571-I583 WeakPolarHBondContact O-CG1 3.29Å; I571-I583 PolarHBondContact O-N 3.3Å; R573-I583 HydrophobicContact CB-CD1 4.4Å; R573-I583 HydrophobicContact CB-CG2 3.92Å; T581-I583 PolarHBondContact O-N 3.35Å; I583-Q621 PolarHBondContact O-NE2 3.38Å
584	V	98.1	Very high	96.7	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.9	169	-178.3	0	0	0	0	106.7	Y293 Y302 A570 I571	Y293-V584 HydrophobicContact CE1-CG2 4.27Å; Y293-V584 HydrophobicContact CE2-CG1 4.49Å; Y293-V584 WeakPolarHBondContact OH-CG2 3.16Å; Y302-V584 HydrophobicContact CD1-CG2 3.77Å; Y302-V584 HydrophobicContact CE1-CG2 3.7Å; A570-V584 CarbonylContact C-O 3.59Å; A570-V584 WeakPolarHBondContact CA-O 3.36Å; A570-V584 WeakPolarHBondContact CB-O 3.4Å; I571-V584 HydrophobicContact CB-CB 3.98Å; I571-V584 HydrophobicContact CB-CG2 4.19Å; I571-V584 HydrophobicContact CD1-CB 4.26Å; I571-V584 HydrophobicContact CD1-CG2 4.09Å; I571-V584 HydrophobicContact CG1-CB 4.23Å; I571-V584 HydrophobicContact CG1-CG2 4.49Å; I571-V584 PolarHBondContact N-O 3.43Å; I571-V584 PolarHBondContact O-N 2.64Å
585	Q	97.3	Very high	96.8	Very high	37 Å²	37	38.1 Å²	38.1	17%	0.173	21%	0.214	C	C	.	.			trans	-136.2	158.4	172.2	-67.8	-176.3	-120.7	0	0	108.9	G273 A570 P582 W615 P622	G273-Q585 WeakPolarHBondContact CA-O 3.31Å; G273-Q585 PolarHBondContact N-O 2.78Å; A570-Q585 HydrophobicContact CB-CG 4.4Å; P582-Q585 HydrophobicContact CB-CG 4.15Å; Q585-W615 HydrophobicContact CB-CH2 4.29Å; Q585-W615 HydrophobicContact CB-CZ3 4.45Å; Q585-P622 HydrophobicContact CB-CG 4.32Å; Q585-P622 HydrophobicContact CG-CG 4.49Å
586	G	96.3	Very high	96.9	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	21%	0.208	C	C	.	.			trans	-173.5	174.8	175	0	0	0	0	0	111.5
587	H	98.3	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.			trans	-70.9	162.2	177.6	-74.4	-70.4	0	0	0	112	N569 T605 S607 D609 Q611 H613 T852	N569-H587 WeakPolarHBondContact CB-O 3.49Å; N569-H587 PolarHBondContact ND2-O 2.99Å; H587-T605 PolarHBondContact CD2-OG1 3.08Å; H587-T605 WeakPolarHBondContact NE2-CB 3.42Å; H587-T605 PolarHBondContact NE2-OG1 3.24Å; H587-S607 WeakPolarHBondContact ND1-CB 3.43Å; H587-D609 VanDerWaalsContact CA-OD2 3.28Å; H587-D609 WeakPolarHBondContact CA-OD2 3.43Å; H587-D609 WeakPolarHBondContact CB-OD2 3.49Å; H587-D609 IonicContact CE1-OD1 3.02Å; H587-D609 IonicContact CG-OD2 2.83Å; H587-D609 IonicContact ND1-OD1 3.56Å; H587-D609 PolarHBondContact ND1-OD1 3.29Å; H587-D609 VanDerWaalsContact ND1-OD1 3.17Å; H587-D609 IonicContact ND1-OD2 3.56Å; H587-D609 PolarHBondContact ND1-OD2 3.4Å; H587-D609 VanDerWaalsContact ND1-OD2 3.14Å; H587-Q611 PolarHBondContact CE1-O 3.26Å; H587-H613 AromaticContact CD2-CD2 3.99Å; H587-H613 AromaticContact CE1-CD2 3.28Å; H587-H613 PolarHBondContact CE1-CD2 3.19Å; H587-H613 AromaticContact CE1-NE2 3.82Å; H587-H613 AromaticContact ND1-CD2 3.78Å; H587-H613 AromaticContact ND1-NE2 3.93Å; H587-H613 AromaticContact NE2-CD2 3.42Å; H587-H613 PolarHBondContact NE2-CD2 2.8Å; H587-T852 WeakPolarHBondContact O-CB 3.43Å
588	T	97.7	Very high	97.4	Very high	25 Å²	25	33.4 Å²	33.4	15%	0.153	19%	0.186	C	C	.	.	S	Bend	trans	-120.9	-6.8	-174.2	61.3	0	0	0	0	113.5	R277 K568 N569 D609	R277-T588 WeakPolarHBondContact CD-O 3.3Å; R277-T588 PolarHBondContact NH1-O 3.22Å; K568-T588 VanDerWaalsContact C-CG2 3.47Å; K568-T588 VanDerWaalsContact CA-CG2 3.42Å; K568-T588 HydrophobicContact CB-CG2 3.79Å; K568-T588 HydrophobicContact CG-CG2 4.33Å; N569-T588 HydrophobicContact CB-CG2 4.06Å; T588-D609 PolarHBondContact N-OD2 3.39Å; T588-D609 WeakPolarHBondContact OG1-CB 3.44Å; T588-D609 PolarHBondContact OG1-OD2 3.23Å
589	D	97.9	Very high	97.7	Very high	55 Å²	55	31.2 Å²	31.2	29%	0.294	18%	0.18	S	C	.	.	S	Bend	trans	-145.1	179.6	178	-134.2	-52.4	0	0	0	110.3	R277 L591 S607 Q608 D609	R277-D589 IonicContact CZ-OD2 2.96Å; R277-D589 IonicContact NH1-OD2 3.05Å; R277-D589 PolarHBondContact NH1-OD2 3.38Å; R277-D589 IonicContact NH2-OD2 3.76Å; R277-D589 PolarHBondContact NH2-OD2 2.8Å; R277-D589 VanDerWaalsContact NH2-OD2 3.15Å; D589-L591 PolarHBondContact O-N 2.85Å; D589-S607 VanDerWaalsContact C-OG 3.25Å; D589-S607 PolarHBondContact O-OG 3.47Å; D589-Q608 HydrophobicContact CB-CB 4.27Å; D589-D609 HydrophobicContact CB-CB 3.84Å
590	E	98	Very high	97.7	Very high	26 Å²	26	31.3 Å²	31.3	12%	0.121	18%	0.177	C	C	.	.			trans	-55.2	122.8	-168.6	-173.3	176.9	-177.3	0	0	113.9	W592 S607 Q608 G849 K850	E590-W592 PolarHBondContact OE1-NE1 2.68Å; E590-S607 PolarHBondContact O-OG 3.06Å; E590-Q608 HydrophobicContact CB-CG 4.25Å; E590-Q608 WeakPolarHBondContact O-CG 3.27Å; E590-Q608 PolarHBondContact O-N 3.43Å; E590-Q608 PolarHBondContact OE2-NE2 3.32Å; E590-G849 WeakPolarHBondContact CA-O 3.48Å; E590-K850 HydrophobicContact CB-CG 4.02Å; E590-K850 HydrophobicContact CG-CG 3.73Å; E590-K850 WeakPolarHBondContact OE2-CE 3.44Å; E590-K850 IonicContact OE2-NZ 3.89Å
591	L	98.3	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.3	-171.6	173.2	59.1	0	0	0	112.6	D589 T605 C606 T833 T847 G849 I854	D589-L591 PolarHBondContact O-N 2.85Å; L591-T605 HydrophobicContact CD1-CG2 4.47Å; L591-C606 VanDerWaalsContact CD1-O 3.29Å; L591-C606 WeakPolarHBondContact CD1-O 3.5Å; L591-T833 WeakPolarHBondContact O-CB 3.21Å; L591-T833 PolarHBondContact O-OG1 3.39Å; L591-T847 HydrophobicContact CD1-CG2 4.4Å; L591-T847 HydrophobicContact CD2-CG2 3.6Å; L591-T847 HydrophobicContact CG-CG2 3.82Å; L591-G849 PolarHBondContact N-O 2.8Å; L591-G849 VanDerWaalsContact O-CA 3.27Å; L591-G849 WeakPolarHBondContact O-CA 3.25Å; L591-G849 PolarHBondContact O-N 3.07Å; L591-I854 HydrophobicContact CD2-CD1 4.27Å; L591-I854 HydrophobicContact CD2-CG1 3.55Å
592	W	98.5	Very high	97.8	Very high	43 Å²	43	30.4 Å²	30.4	16%	0.163	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	-32.6	179.1	-77.8	81.7	0	0	0	114.3	E590 L594 R633 N788 T833 N834	E590-W592 PolarHBondContact OE1-NE1 2.68Å; W592-L594 PolarHBondContact O-N 2.92Å; W592-R633 CarbonylContact C-O 3.55Å; W592-R633 WeakPolarHBondContact CB-O 3.32Å; W592-R633 VanDerWaalsContact CD2-NH2 3.29Å; W592-R633 VanDerWaalsContact CZ3-NH2 3.26Å; W592-R633 VanDerWaalsContact NE1-NH1 3.17Å; W592-N788 HydrophobicContact CZ3-CB 4.41Å; W592-T833 HydrophobicContact CD2-CG2 3.58Å; W592-T833 HydrophobicContact CE3-CG2 3.99Å; W592-T833 HydrophobicContact CG-CG2 4.09Å; W592-T833 HydrophobicContact CH2-CG2 4.06Å; W592-T833 HydrophobicContact CZ2-CG2 3.65Å; W592-T833 HydrophobicContact CZ3-CG2 4.21Å; W592-N834 PolarHBondContact O-ND2 2.9Å; W592-N834 VanDerWaalsContact O-ND2 3.11Å
593	G	98.3	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	122.6	179	0	0	0	0	0	110.2	T605 C606 R633	G593-T605 WeakPolarHBondContact O-CA 3.47Å; G593-C606 PolarHBondContact N-O 2.67Å; G593-C606 PolarHBondContact O-N 3.43Å; G593-C606 VanDerWaalsContact O-N 3.07Å; G593-R633 WeakPolarHBondContact CA-O 3.31Å; G593-R633 PolarHBondContact N-O 2.81Å; G593-R633 VanDerWaalsContact N-O 3.09Å
594	L	98.9	Very high	98	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.9	171.7	173.8	65.7	0	0	0	107.3	W592 F603 V604 T605 N834 A836 I845 T847	W592-L594 PolarHBondContact O-N 2.92Å; L594-F603 HydrophobicContact CD1-CB 4.47Å; L594-F603 HydrophobicContact CD1-CD2 3.85Å; L594-V604 WeakPolarHBondContact CA-O 3.38Å; L594-T605 HydrophobicContact CD1-CG2 4.12Å; L594-N834 HydrophobicContact CB-CB 4.01Å; L594-N834 HydrophobicContact CD2-CB 4.22Å; L594-A836 HydrophobicContact CD2-CB 3.84Å; L594-A836 HydrophobicContact CG-CB 4.14Å; L594-I845 HydrophobicContact CD1-CB 4.2Å; L594-I845 HydrophobicContact CD1-CG2 3.65Å; L594-I845 HydrophobicContact CD2-CB 4.29Å; L594-I845 HydrophobicContact CD2-CG2 4.18Å; L594-T847 HydrophobicContact CB-CG2 4.04Å; L594-T847 HydrophobicContact CD1-CG2 4.5Å; L594-T847 HydrophobicContact CD2-CG2 4.3Å
595	D	98.8	Very high	98	Very high	44 Å²	44	27.1 Å²	27.1	24%	0.235	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162	160.1	-165.7	25.8	0	0	0	110.3	F603 V604 A635 G636 F637	D595-F603 CarbonylContact O-C 3.58Å; D595-F603 WeakPolarHBondContact O-CA 3.47Å; D595-F603 WeakPolarHBondContact O-CB 3.42Å; D595-V604 HydrophobicContact CB-CG1 4.04Å; D595-V604 PolarHBondContact N-O 2.82Å; D595-V604 PolarHBondContact O-N 3.31Å; D595-A635 HydrophobicContact CB-CB 4.41Å; D595-G636 VanDerWaalsContact OD2-CA 3.25Å; D595-G636 WeakPolarHBondContact OD2-CA 3.27Å; D595-F637 HydrophobicContact CB-CD2 4.11Å; D595-F637 PolarHBondContact OD2-N 3.33Å
596	V	98.6	Very high	98.1	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.091	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.1	-175.9	-65.4	0	0	0	0	111.6	F603 F637 A836 F837 L838	V596-F603 HydrophobicContact CG1-CB 4.16Å; V596-F637 VanDerWaalsContact C-CD2 3.45Å; V596-F637 WeakPolarHBondContact O-CD2 3.32Å; V596-A836 HydrophobicContact CG1-CB 3.79Å; V596-F837 WeakPolarHBondContact CG1-O 3.4Å; V596-F837 VanDerWaalsContact CG2-O 3.32Å; V596-F837 WeakPolarHBondContact CG2-O 3.27Å; V596-L838 HydrophobicContact CG1-CD2 3.93Å
597	H	98.5	Very high	98.2	Very high	8 Å²	8	25 Å²	25	4%	0.037	14%	0.135	C	C	.	.			trans	-69.1	132.2	177.6	-173	-85.4	0	0	0	109.8	S599 M600 Q602 F637 G641	H597-S599 PolarHBondContact CE1-OG 2.77Å; H597-S599 VanDerWaalsContact CE1-OG 3.3Å; H597-S599 PolarHBondContact ND1-N 2.8Å; H597-S599 PolarHBondContact O-N 3.32Å; H597-M600 HydrophobicContact CB-CB 4.4Å; H597-M600 WeakPolarHBondContact CE1-CE 3.39Å; H597-M600 WeakPolarHBondContact ND1-CB 3.48Å; H597-M600 WeakPolarHBondContact ND1-CG 3.23Å; H597-M600 PolarHBondContact ND1-N 2.71Å; H597-M600 VanDerWaalsContact ND1-N 3.16Å; H597-M600 WeakPolarHBondContact NE2-CE 3.31Å; H597-Q602 HydrophobicContact CB-CB 3.86Å; H597-Q602 WeakPolarHBondContact CB-O 3.16Å; H597-Q602 PolarHBondContact N-O 2.86Å; H597-F637 HydrophobicContact CB-CE2 4.36Å; H597-F637 HydrophobicContact CB-CZ 4.31Å; H597-F637 AromaticContact CD2-CE1 3.89Å; H597-G641 WeakPolarHBondContact NE2-CA 3.46Å
598	P	97.7	Very high	98.2	Very high	53 Å²	53	27.6 Å²	27.6	34%	0.344	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-5.6	-168.2	25.4	-36.6	0	0	0	115.8	P639	P598-P639 WeakPolarHBondContact CG-O 3.46Å
599	S	97.4	Very high	98.2	Very high	77 Å²	77	27.6 Å²	27.6	54%	0.538	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-156.5	9.3	-173.9	61.6	0	0	0	0	115.5	H597	H597-S599 PolarHBondContact CE1-OG 2.77Å; H597-S599 VanDerWaalsContact CE1-OG 3.3Å; H597-S599 PolarHBondContact ND1-N 2.8Å; H597-S599 PolarHBondContact O-N 3.32Å
600	M	97.3	Very high	98.2	Very high	68 Å²	68	28.8 Å²	28.8	34%	0.335	15%	0.149	S	C	.	.	S	Bend	trans	-138.9	153.2	-179.8	-61.8	-167	-71.3	0	0	110.3	H597 Q602 H839	H597-M600 HydrophobicContact CB-CB 4.4Å; H597-M600 WeakPolarHBondContact CE1-CE 3.39Å; H597-M600 WeakPolarHBondContact ND1-CB 3.48Å; H597-M600 WeakPolarHBondContact ND1-CG 3.23Å; H597-M600 PolarHBondContact ND1-N 2.71Å; H597-M600 VanDerWaalsContact ND1-N 3.16Å; H597-M600 WeakPolarHBondContact NE2-CE 3.31Å; M600-Q602 HydrophobicContact CB-CB 4.48Å; M600-Q602 HydrophobicContact CB-CG 4.2Å; M600-Q602 VanDerWaalsContact CE-OE1 3.31Å; M600-Q602 PolarHBondContact O-N 3.41Å; M600-H839 PolarHBondContact N-CD2 2.86Å; M600-H839 PolarHBondContact N-NE2 2.84Å; M600-H839 PolarHBondContact O-CD2 2.68Å
601	E	96.4	Very high	98.2	Very high	78 Å²	78	29.3 Å²	29.3	36%	0.364	15%	0.151	S	C	.	.	S	Bend	trans	-65.1	54.5	172.9	-77.5	-175	-160	0	0	113	T617 S618	E601-T617 WeakPolarHBondContact CB-OG1 3.33Å; E601-T617 PolarHBondContact O-N 2.79Å; E601-T617 PolarHBondContact O-OG1 2.77Å; E601-T617 VanDerWaalsContact O-OG1 3.12Å; E601-S618 PolarHBondContact OE2-OG 3.38Å
602	Q	98.1	Very high	98.2	Very high	25 Å²	25	29.3 Å²	29.3	12%	0.117	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.8	-173	-65.3	176.8	13.5	0	0	110.4	H597 M600 L614 W615 L623	H597-Q602 HydrophobicContact CB-CB 3.86Å; H597-Q602 WeakPolarHBondContact CB-O 3.16Å; H597-Q602 PolarHBondContact N-O 2.86Å; M600-Q602 HydrophobicContact CB-CB 4.48Å; M600-Q602 HydrophobicContact CB-CG 4.2Å; M600-Q602 VanDerWaalsContact CE-OE1 3.31Å; M600-Q602 PolarHBondContact O-N 3.41Å; Q602-L614 HydrophobicContact CB-CD1 4.42Å; Q602-W615 WeakPolarHBondContact CA-O 3.34Å; Q602-W615 WeakPolarHBondContact CB-O 3.46Å; Q602-L623 VanDerWaalsContact CD-CD1 3.45Å; Q602-L623 HydrophobicContact CG-CD1 3.98Å
603	F	98.8	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157	173.6	68.7	-88.4	0	0	0	110.1	Y272 L594 D595 V596 T605 W615 T617 I845 I854	Y272-F603 HydrophobicContact CD2-CZ 4.42Å; Y272-F603 HydrophobicContact CE1-CZ 4.39Å; Y272-F603 HydrophobicContact CE2-CE1 4.28Å; Y272-F603 AromaticContact CE2-CZ 3.95Å; Y272-F603 HydrophobicContact CE2-CZ 3.95Å; Y272-F603 AromaticContact CZ-CZ 3.93Å; L594-F603 HydrophobicContact CD1-CB 4.47Å; L594-F603 HydrophobicContact CD1-CD2 3.85Å; D595-F603 CarbonylContact O-C 3.58Å; D595-F603 WeakPolarHBondContact O-CA 3.47Å; D595-F603 WeakPolarHBondContact O-CB 3.42Å; V596-F603 HydrophobicContact CG1-CB 4.16Å; F603-T605 HydrophobicContact CD2-CG2 3.95Å; F603-T605 HydrophobicContact CE2-CG2 3.81Å; F603-W615 HydrophobicContact CD1-CB 3.95Å; F603-W615 HydrophobicContact CD2-CB 4.24Å; F603-W615 AromaticContact CD2-CD1 3.61Å; F603-W615 HydrophobicContact CD2-CG 4.19Å; F603-W615 HydrophobicContact CE1-CB 3.56Å; F603-W615 HydrophobicContact CE1-CG 4.12Å; F603-W615 HydrophobicContact CE2-CB 3.88Å; F603-W615 AromaticContact CE2-CD1 3.17Å; F603-W615 HydrophobicContact CE2-CD2 4.41Å; F603-W615 AromaticContact CE2-CG 3.58Å; F603-W615 HydrophobicContact CE2-CG 3.58Å; F603-W615 AromaticContact CE2-NE1 3.78Å; F603-W615 HydrophobicContact CG-CB 4.27Å; F603-W615 HydrophobicContact CZ-CB 3.52Å; F603-W615 AromaticContact CZ-CD1 3.66Å; F603-W615 HydrophobicContact CZ-CD2 4.26Å; F603-W615 AromaticContact CZ-CG 3.54Å; F603-W615 HydrophobicContact CZ-CG 3.54Å; F603-W615 PolarHBondContact N-O 3.26Å; F603-W615 PolarHBondContact O-N 3.41Å; F603-T617 HydrophobicContact CD1-CG2 3.48Å; F603-T617 VanDerWaalsContact CD1-CG2 3.48Å; F603-T617 HydrophobicContact CE1-CG2 3.7Å; F603-I845 HydrophobicContact CD1-CD1 3.96Å; F603-I845 HydrophobicContact CD1-CG1 4.02Å; F603-I845 HydrophobicContact CD2-CG2 4.03Å; F603-I845 HydrophobicContact CE1-CD1 3.91Å; F603-I845 HydrophobicContact CE1-CG1 4.38Å; F603-I845 HydrophobicContact CE2-CG2 3.97Å; F603-I845 HydrophobicContact CG-CG1 4.18Å; F603-I845 HydrophobicContact CG-CG2 4.37Å; F603-I845 HydrophobicContact CZ-CD1 4.48Å; F603-I845 HydrophobicContact CZ-CG2 4.26Å; F603-I854 HydrophobicContact CE2-CD1 4.28Å; F603-I854 HydrophobicContact CE2-CG2 3.92Å; F603-I854 HydrophobicContact CZ-CG2 4.1Å
604	V	98.9	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.8	176.3	67.5	0	0	0	0	110.1	L594 D595 V612 H613 A635 F637 L644	L594-V604 WeakPolarHBondContact CA-O 3.38Å; D595-V604 HydrophobicContact CB-CG1 4.04Å; D595-V604 PolarHBondContact N-O 2.82Å; D595-V604 PolarHBondContact O-N 3.31Å; V604-V612 HydrophobicContact CG2-CG1 3.63Å; V604-H613 CarbonylContact C-O 3.52Å; V604-H613 VanDerWaalsContact CA-O 3.31Å; V604-H613 WeakPolarHBondContact CA-O 3.44Å; V604-H613 WeakPolarHBondContact CG2-O 3.46Å; V604-A635 HydrophobicContact CG1-CB 3.68Å; V604-F637 HydrophobicContact CB-CE2 3.91Å; V604-F637 HydrophobicContact CB-CZ 3.94Å; V604-F637 HydrophobicContact CG1-CD2 4.26Å; V604-F637 HydrophobicContact CG1-CE2 3.57Å; V604-F637 HydrophobicContact CG1-CZ 4.05Å; V604-L644 HydrophobicContact CB-CD1 4.41Å; V604-L644 HydrophobicContact CB-CD2 4.21Å; V604-L644 HydrophobicContact CG1-CD1 3.76Å; V604-L644 HydrophobicContact CG1-CD2 4.43Å; V604-L644 HydrophobicContact CG2-CD1 4.34Å; V604-L644 HydrophobicContact CG2-CD2 3.5Å; V604-L644 VanDerWaalsContact CG2-CD2 3.5Å
605	T	98.9	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.8	164.4	59.3	0	0	0	0	112.9	H587 L591 G593 L594 F603 V612 H613 W615 T847 I854	H587-T605 PolarHBondContact CD2-OG1 3.08Å; H587-T605 WeakPolarHBondContact NE2-CB 3.42Å; H587-T605 PolarHBondContact NE2-OG1 3.24Å; L591-T605 HydrophobicContact CD1-CG2 4.47Å; G593-T605 WeakPolarHBondContact O-CA 3.47Å; L594-T605 HydrophobicContact CD1-CG2 4.12Å; F603-T605 HydrophobicContact CD2-CG2 3.95Å; F603-T605 HydrophobicContact CE2-CG2 3.81Å; T605-V612 WeakPolarHBondContact O-CA 3.2Å; T605-H613 PolarHBondContact N-O 3.23Å; T605-H613 PolarHBondContact O-N 2.91Å; T605-W615 PolarHBondContact OG1-NE1 3.46Å; T605-T847 HydrophobicContact CG2-CG2 4.28Å; T605-I854 HydrophobicContact CG2-CD1 3.76Å; T605-I854 HydrophobicContact CG2-CG1 4.17Å
606	C	98.4	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.2	169.5	79	0	0	0	0	112.6	L591 G593 Q611 V612 S634 V646	L591-C606 VanDerWaalsContact CD1-O 3.29Å; L591-C606 WeakPolarHBondContact CD1-O 3.5Å; G593-C606 PolarHBondContact N-O 2.67Å; G593-C606 PolarHBondContact O-N 3.43Å; G593-C606 VanDerWaalsContact O-N 3.07Å; C606-Q611 WeakPolarHBondContact CA-O 3.32Å; C606-V612 HydrophobicContact CB-CG2 3.88Å; C606-S634 PolarHBondContact SG-O 3Å; C606-V646 HydrophobicContact CB-CG1 4.15Å
607	S	98.1	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	166.1	-170	163.7	0	0	0	0	112.1	H587 D589 E590 D609 K610 Q611 G632	H587-S607 WeakPolarHBondContact ND1-CB 3.43Å; D589-S607 VanDerWaalsContact C-OG 3.25Å; D589-S607 PolarHBondContact O-OG 3.47Å; E590-S607 PolarHBondContact O-OG 3.06Å; S607-D609 VanDerWaalsContact CB-OD1 3.32Å; S607-D609 WeakPolarHBondContact CB-OD1 3.39Å; S607-D609 PolarHBondContact O-N 3.03Å; S607-D609 PolarHBondContact OG-N 3.15Å; S607-D609 PolarHBondContact OG-OD1 3.25Å; S607-K610 PolarHBondContact O-N 2.92Å; S607-K610 VanDerWaalsContact O-N 3.09Å; S607-Q611 PolarHBondContact N-O 2.88Å; S607-G632 CarbonylContact C-O 3.59Å; S607-G632 PolarHBondContact O-N 3.48Å
608	Q	98.4	Very high	97.7	Very high	53 Å²	53	29.4 Å²	29.4	25%	0.248	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.5	170.1	-64.4	-174.6	28	0	0	113.6	D589 E590 K610 P631 M649	D589-Q608 HydrophobicContact CB-CB 4.27Å; E590-Q608 HydrophobicContact CB-CG 4.25Å; E590-Q608 WeakPolarHBondContact O-CG 3.27Å; E590-Q608 PolarHBondContact O-N 3.43Å; E590-Q608 PolarHBondContact OE2-NE2 3.32Å; Q608-K610 PolarHBondContact O-N 3.43Å; Q608-K610 VanDerWaalsContact O-N 3.08Å; Q608-P631 HydrophobicContact CB-CB 4.39Å; Q608-M649 HydrophobicContact CG-SD 3.61Å
609	D	97.4	Very high	97.6	Very high	25 Å²	25	30.3 Å²	30.3	13%	0.134	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	3.5	170.8	70.5	8.9	0	0	0	115	H587 T588 D589 S607 Q611	H587-D609 VanDerWaalsContact CA-OD2 3.28Å; H587-D609 WeakPolarHBondContact CA-OD2 3.43Å; H587-D609 WeakPolarHBondContact CB-OD2 3.49Å; H587-D609 IonicContact CE1-OD1 3.02Å; H587-D609 IonicContact CG-OD2 2.83Å; H587-D609 IonicContact ND1-OD1 3.56Å; H587-D609 PolarHBondContact ND1-OD1 3.29Å; H587-D609 VanDerWaalsContact ND1-OD1 3.17Å; H587-D609 IonicContact ND1-OD2 3.56Å; H587-D609 PolarHBondContact ND1-OD2 3.4Å; H587-D609 VanDerWaalsContact ND1-OD2 3.14Å; T588-D609 PolarHBondContact N-OD2 3.39Å; T588-D609 WeakPolarHBondContact OG1-CB 3.44Å; T588-D609 PolarHBondContact OG1-OD2 3.23Å; D589-D609 HydrophobicContact CB-CB 3.84Å; S607-D609 VanDerWaalsContact CB-OD1 3.32Å; S607-D609 WeakPolarHBondContact CB-OD1 3.39Å; S607-D609 PolarHBondContact O-N 3.03Å; S607-D609 PolarHBondContact OG-N 3.15Å; S607-D609 PolarHBondContact OG-OD1 3.25Å; D609-Q611 PolarHBondContact O-N 3.29Å; D609-Q611 VanDerWaalsContact OD1-CB 3.26Å; D609-Q611 WeakPolarHBondContact OD1-CB 3.07Å; D609-Q611 PolarHBondContact OD1-N 3.29Å
610	K	98	Very high	97.5	Very high	81 Å²	81	27.3 Å²	27.3	35%	0.352	14%	0.143	S	C	.	.	S	Bend	trans	65.2	10.7	-178.5	-44.9	-173.5	175.8	-165.8	0	114	S607 Q608 T627 L628 E629 P631	S607-K610 PolarHBondContact O-N 2.92Å; S607-K610 VanDerWaalsContact O-N 3.09Å; Q608-K610 PolarHBondContact O-N 3.43Å; Q608-K610 VanDerWaalsContact O-N 3.08Å; K610-T627 CarbonylContact O-C 3.11Å; K610-T627 WeakPolarHBondContact O-CA 2.97Å; K610-L628 HydrophobicContact CB-CB 4.44Å; K610-L628 PolarHBondContact O-N 3.03Å; K610-E629 WeakPolarHBondContact CD-O 3.01Å; K610-E629 WeakPolarHBondContact CE-O 3.36Å; K610-E629 PolarHBondContact NZ-O 2.92Å; K610-P631 HydrophobicContact CG-CG 4.5Å
611	Q	97.8	Very high	97.4	Very high	36 Å²	36	26 Å²	26	17%	0.168	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.8	170.9	-60.5	-56.7	-61.4	0	0	111	H587 C606 S607 D609 T627	H587-Q611 PolarHBondContact CE1-O 3.26Å; C606-Q611 WeakPolarHBondContact CA-O 3.32Å; S607-Q611 PolarHBondContact N-O 2.88Å; D609-Q611 PolarHBondContact O-N 3.29Å; D609-Q611 VanDerWaalsContact OD1-CB 3.26Å; D609-Q611 WeakPolarHBondContact OD1-CB 3.07Å; D609-Q611 PolarHBondContact OD1-N 3.29Å; Q611-T627 PolarHBondContact NE2-OG1 2.98Å
612	V	98.4	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.6	157.5	-177.3	0	0	0	0	107.2	V604 T605 C606 W624 S625 K626 L628 L644 V646	V604-V612 HydrophobicContact CG2-CG1 3.63Å; T605-V612 WeakPolarHBondContact O-CA 3.2Å; C606-V612 HydrophobicContact CB-CG2 3.88Å; V612-W624 HydrophobicContact CB-CZ3 4.09Å; V612-W624 HydrophobicContact CG1-CH2 3.8Å; V612-W624 HydrophobicContact CG1-CZ3 3.79Å; V612-S625 CarbonylContact O-C 3.57Å; V612-S625 WeakPolarHBondContact O-CA 3.39Å; V612-K626 PolarHBondContact N-O 3.31Å; V612-K626 PolarHBondContact O-N 2.87Å; V612-L628 HydrophobicContact CG2-CD1 3.61Å; V612-L628 HydrophobicContact CG2-CD2 3.94Å; V612-L628 HydrophobicContact CG2-CG 3.78Å; V612-L644 HydrophobicContact CG1-CD2 4.2Å; V612-V646 HydrophobicContact CG1-CG2 4.43Å; V612-V646 HydrophobicContact CG2-CG1 4.21Å; V612-V646 HydrophobicContact CG2-CG2 4.21Å
613	H	98.4	Very high	97.4	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.2	175.6	-63.9	-53.5	0	0	0	109.2	H587 V604 T605 W615 W624 S625	H587-H613 AromaticContact CD2-CD2 3.99Å; H587-H613 AromaticContact CE1-CD2 3.28Å; H587-H613 PolarHBondContact CE1-CD2 3.19Å; H587-H613 AromaticContact CE1-NE2 3.82Å; H587-H613 AromaticContact ND1-CD2 3.78Å; H587-H613 AromaticContact ND1-NE2 3.93Å; H587-H613 AromaticContact NE2-CD2 3.42Å; H587-H613 PolarHBondContact NE2-CD2 2.8Å; V604-H613 CarbonylContact C-O 3.52Å; V604-H613 VanDerWaalsContact CA-O 3.31Å; V604-H613 WeakPolarHBondContact CA-O 3.44Å; V604-H613 WeakPolarHBondContact CG2-O 3.46Å; T605-H613 PolarHBondContact N-O 3.23Å; T605-H613 PolarHBondContact O-N 2.91Å; H613-W615 HydrophobicContact CB-CD2 4.24Å; H613-W615 VanDerWaalsContact CB-CE2 3.44Å; H613-W615 HydrophobicContact CB-CZ2 3.61Å; H613-W615 VanDerWaalsContact CB-NE1 3.33Å; H613-W615 AromaticContact CD2-CZ2 3.56Å; H613-W615 AromaticContact CG-CZ2 3.74Å; H613-W624 WeakPolarHBondContact CA-O 3.4Å; H613-S625 PolarHBondContact CE1-OG 2.86Å; H613-S625 VanDerWaalsContact CE1-OG 3.29Å; H613-S625 VanDerWaalsContact ND1-CB 3.32Å; H613-S625 WeakPolarHBondContact ND1-CB 3.4Å; H613-S625 PolarHBondContact ND1-OG 3.09Å
614	L	98.6	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.4	162.6	-179.5	69.6	0	0	0	107.4	Q602 P622 L623 W624 F637 T658	Q602-L614 HydrophobicContact CB-CD1 4.42Å; L614-P622 CarbonylContact O-C 3.57Å; L614-P622 VanDerWaalsContact O-CA 3.26Å; L614-P622 WeakPolarHBondContact O-CA 3.13Å; L614-L623 HydrophobicContact CD2-CB 4.33Å; L614-L623 HydrophobicContact CD2-CD1 3.99Å; L614-L623 HydrophobicContact CG-CB 4.43Å; L614-L623 HydrophobicContact CG-CD1 4.2Å; L614-L623 PolarHBondContact O-N 3.34Å; L614-W624 HydrophobicContact CB-CD2 3.84Å; L614-W624 VanDerWaalsContact CB-CE2 3.49Å; L614-W624 HydrophobicContact CB-CE3 4.47Å; L614-W624 HydrophobicContact CB-CG 4.16Å; L614-W624 HydrophobicContact CB-CH2 4.45Å; L614-W624 HydrophobicContact CB-CZ2 3.85Å; L614-W624 HydrophobicContact CD2-CZ2 4.46Å; L614-W624 VanDerWaalsContact CD2-NE1 3.28Å; L614-W624 PolarHBondContact N-O 3.49Å; L614-W624 VanDerWaalsContact N-O 3.12Å; L614-W624 PolarHBondContact O-N 2.86Å; L614-F637 HydrophobicContact CD1-CE1 4.39Å; L614-F637 HydrophobicContact CD1-CZ 3.76Å; L614-T658 HydrophobicContact CD2-CG2 3.94Å
615	W	98.6	Very high	97.2	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	150.8	-176.7	-55.2	92.3	0	0	0	111.4	Y272 Q585 Q602 F603 T605 H613 P622 I854	Y272-W615 HydrophobicContact CD1-CD2 4.21Å; Y272-W615 AromaticContact CD1-CE3 3.53Å; Y272-W615 HydrophobicContact CD1-CE3 3.53Å; Y272-W615 HydrophobicContact CD1-CH2 4.23Å; Y272-W615 AromaticContact CD1-CZ3 3.54Å; Y272-W615 HydrophobicContact CD1-CZ3 3.54Å; Y272-W615 HydrophobicContact CE1-CD2 4.24Å; Y272-W615 AromaticContact CE1-CE3 3.61Å; Y272-W615 HydrophobicContact CE1-CE3 3.61Å; Y272-W615 HydrophobicContact CE1-CZ3 4.07Å; Q585-W615 HydrophobicContact CB-CH2 4.29Å; Q585-W615 HydrophobicContact CB-CZ3 4.45Å; Q602-W615 WeakPolarHBondContact CA-O 3.34Å; Q602-W615 WeakPolarHBondContact CB-O 3.46Å; F603-W615 HydrophobicContact CD1-CB 3.95Å; F603-W615 HydrophobicContact CD2-CB 4.24Å; F603-W615 AromaticContact CD2-CD1 3.61Å; F603-W615 HydrophobicContact CD2-CG 4.19Å; F603-W615 HydrophobicContact CE1-CB 3.56Å; F603-W615 HydrophobicContact CE1-CG 4.12Å; F603-W615 HydrophobicContact CE2-CB 3.88Å; F603-W615 AromaticContact CE2-CD1 3.17Å; F603-W615 HydrophobicContact CE2-CD2 4.41Å; F603-W615 AromaticContact CE2-CG 3.58Å; F603-W615 HydrophobicContact CE2-CG 3.58Å; F603-W615 AromaticContact CE2-NE1 3.78Å; F603-W615 HydrophobicContact CG-CB 4.27Å; F603-W615 HydrophobicContact CZ-CB 3.52Å; F603-W615 AromaticContact CZ-CD1 3.66Å; F603-W615 HydrophobicContact CZ-CD2 4.26Å; F603-W615 AromaticContact CZ-CG 3.54Å; F603-W615 HydrophobicContact CZ-CG 3.54Å; F603-W615 PolarHBondContact N-O 3.26Å; F603-W615 PolarHBondContact O-N 3.41Å; T605-W615 PolarHBondContact OG1-NE1 3.46Å; H613-W615 HydrophobicContact CB-CD2 4.24Å; H613-W615 VanDerWaalsContact CB-CE2 3.44Å; H613-W615 HydrophobicContact CB-CZ2 3.61Å; H613-W615 VanDerWaalsContact CB-NE1 3.33Å; H613-W615 AromaticContact CD2-CZ2 3.56Å; H613-W615 AromaticContact CG-CZ2 3.74Å; W615-P622 HydrophobicContact CD2-CB 4.41Å; W615-P622 HydrophobicContact CE3-CB 3.97Å; W615-P622 HydrophobicContact CE3-CG 4.4Å; W615-P622 HydrophobicContact CZ3-CB 4.04Å; W615-P622 HydrophobicContact CZ3-CG 4.06Å; W615-I854 HydrophobicContact CZ2-CD1 3.77Å
616	D	96.9	Very high	97.1	Very high	26 Å²	26	30.7 Å²	30.7	14%	0.139	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.4	167.6	173.6	87.1	0	0	0	109	S618 T619 H620 Q621 L623	D616-S618 VanDerWaalsContact C-N 3.31Å; D616-S618 PolarHBondContact OD2-N 3.24Å; D616-T619 WeakPolarHBondContact OD2-CB 3.49Å; D616-T619 WeakPolarHBondContact OD2-CG2 3.33Å; D616-T619 PolarHBondContact OD2-N 3.09Å; D616-T619 PolarHBondContact OD2-OG1 3.04Å; D616-H620 VanDerWaalsContact O-CA 3.31Å; D616-H620 WeakPolarHBondContact O-CA 3.21Å; D616-H620 PolarHBondContact O-N 3.06Å; D616-Q621 PolarHBondContact N-O 2.83Å; D616-Q621 VanDerWaalsContact N-O 3.14Å; D616-L623 HydrophobicContact CB-CD1 4.12Å; D616-L623 HydrophobicContact CB-CD2 3.81Å; D616-L623 HydrophobicContact CB-CG 3.79Å
617	T	96	Very high	97	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.025	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.4	-173.7	61	0	0	0	0	113.9	E601 F603 H620 L838 I845 Q856	E601-T617 WeakPolarHBondContact CB-OG1 3.33Å; E601-T617 PolarHBondContact O-N 2.79Å; E601-T617 PolarHBondContact O-OG1 2.77Å; E601-T617 VanDerWaalsContact O-OG1 3.12Å; F603-T617 HydrophobicContact CD1-CG2 3.48Å; F603-T617 VanDerWaalsContact CD1-CG2 3.48Å; F603-T617 HydrophobicContact CE1-CG2 3.7Å; T617-H620 PolarHBondContact O-CE1 2.83Å; T617-H620 PolarHBondContact O-ND1 3.07Å; T617-L838 HydrophobicContact CG2-CD1 3.84Å; T617-L838 HydrophobicContact CG2-CD2 4.08Å; T617-I845 HydrophobicContact CG2-CD1 4.45Å; T617-Q856 PolarHBondContact O-NE2 2.83Å
618	S	93	Very high	96.9	Very high	78 Å²	78	35.2 Å²	35.2	55%	0.545	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-38.2	-179.1	-98.1	0	0	0	0	112.5	E601 D616	E601-S618 PolarHBondContact OE2-OG 3.38Å; D616-S618 VanDerWaalsContact C-N 3.31Å; D616-S618 PolarHBondContact OD2-N 3.24Å
619	T	94.9	Very high	96.8	Very high	71 Å²	71	38.7 Å²	38.7	44%	0.436	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.2	174.4	60	0	0	0	0	113.2	D616 Q621	D616-T619 WeakPolarHBondContact OD2-CB 3.49Å; D616-T619 WeakPolarHBondContact OD2-CG2 3.33Å; D616-T619 PolarHBondContact OD2-N 3.09Å; D616-T619 PolarHBondContact OD2-OG1 3.04Å; T619-Q621 PolarHBondContact O-N 3.14Å
620	H	96.9	Very high	96.8	Very high	15 Å²	15	38.7 Å²	38.7	7%	0.069	21%	0.208	C	C	.	.			trans	55.2	29.3	-176	-48.4	-72.3	0	0	0	115	W270 Y272 D616 T617 Q856	W270-H620 HydrophobicContact CD2-CB 3.75Å; W270-H620 AromaticContact CD2-CD2 3.53Å; W270-H620 AromaticContact CD2-CE1 3.97Å; W270-H620 AromaticContact CD2-CG 3.41Å; W270-H620 VanDerWaalsContact CD2-CG 3.41Å; W270-H620 AromaticContact CD2-ND1 3.7Å; W270-H620 AromaticContact CD2-NE2 3.88Å; W270-H620 AromaticContact CE2-CD2 3.8Å; W270-H620 AromaticContact CE2-CG 3.53Å; W270-H620 HydrophobicContact CE3-CB 4.41Å; W270-H620 AromaticContact CE3-CD2 3.31Å; W270-H620 AromaticContact CE3-CE1 3.87Å; W270-H620 AromaticContact CE3-CG 3.72Å; W270-H620 AromaticContact CE3-NE2 3.41Å; W270-H620 HydrophobicContact CG-CB 4.05Å; W270-H620 AromaticContact CG-CG 3.75Å; W270-H620 AromaticContact CG-ND1 3.6Å; W270-H620 HydrophobicContact CH2-CB 4.26Å; W270-H620 AromaticContact CH2-CD2 3.63Å; W270-H620 HydrophobicContact CZ2-CB 3.61Å; W270-H620 AromaticContact CZ2-CD2 3.88Å; W270-H620 AromaticContact CZ2-CG 3.93Å; W270-H620 AromaticContact CZ3-CD2 3.34Å; W270-H620 WeakPolarHBondContact CZ3-CD2 3.35Å; W270-H620 AromaticContact CZ3-NE2 3.72Å; W270-H620 AromaticContact NE1-CG 3.91Å; Y272-H620 HydrophobicContact CE1-CB 3.98Å; Y272-H620 WeakPolarHBondContact CE1-O 3.44Å; Y272-H620 PolarHBondContact OH-ND1 3.48Å; D616-H620 VanDerWaalsContact O-CA 3.31Å; D616-H620 WeakPolarHBondContact O-CA 3.21Å; D616-H620 PolarHBondContact O-N 3.06Å; T617-H620 PolarHBondContact O-CE1 2.83Å; T617-H620 PolarHBondContact O-ND1 3.07Å; H620-Q856 PolarHBondContact CE1-NE2 3.4Å
621	Q	94.8	Very high	96.8	Very high	39 Å²	39	36.3 Å²	36.3	18%	0.182	20%	0.201	C	C	.	.	S	Bend	trans	-119.5	160.1	175.7	-61.9	-53.3	-46.6	0	0	111	I583 D616 T619 L623	I583-Q621 PolarHBondContact O-NE2 3.38Å; D616-Q621 PolarHBondContact N-O 2.83Å; D616-Q621 VanDerWaalsContact N-O 3.14Å; T619-Q621 PolarHBondContact O-N 3.14Å; Q621-L623 PolarHBondContact O-N 2.79Å
622	P	96.6	Very high	96.9	Very high	20 Å²	20	34.6 Å²	34.6	13%	0.13	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.6	171.1	29.6	-29.6	0	0	0	109.9	Q585 L614 W615 W624	Q585-P622 HydrophobicContact CB-CG 4.32Å; Q585-P622 HydrophobicContact CG-CG 4.49Å; L614-P622 CarbonylContact O-C 3.57Å; L614-P622 VanDerWaalsContact O-CA 3.26Å; L614-P622 WeakPolarHBondContact O-CA 3.13Å; W615-P622 HydrophobicContact CD2-CB 4.41Å; W615-P622 HydrophobicContact CE3-CB 3.97Å; W615-P622 HydrophobicContact CE3-CG 4.4Å; W615-P622 HydrophobicContact CZ3-CB 4.04Å; W615-P622 HydrophobicContact CZ3-CG 4.06Å; P622-W624 PolarHBondContact O-N 3.42Å
623	L	96.7	Very high	96.9	Very high	74 Å²	74	36.2 Å²	36.2	39%	0.387	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	-36.9	167.7	-65.4	176.9	0	0	0	110.8	Q602 L614 D616 Q621	Q602-L623 VanDerWaalsContact CD-CD1 3.45Å; Q602-L623 HydrophobicContact CG-CD1 3.98Å; L614-L623 HydrophobicContact CD2-CB 4.33Å; L614-L623 HydrophobicContact CD2-CD1 3.99Å; L614-L623 HydrophobicContact CG-CB 4.43Å; L614-L623 HydrophobicContact CG-CD1 4.2Å; L614-L623 PolarHBondContact O-N 3.34Å; D616-L623 HydrophobicContact CB-CD1 4.12Å; D616-L623 HydrophobicContact CB-CD2 3.81Å; D616-L623 HydrophobicContact CB-CG 3.79Å; Q621-L623 PolarHBondContact O-N 2.79Å
624	W	97.2	Very high	96.9	Very high	10 Å²	10	36.1 Å²	36.1	4%	0.038	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	164	168	58.4	-106.4	0	0	0	113.6	V612 H613 L614 P622 K626 L644 L656 T658 R661	V612-W624 HydrophobicContact CB-CZ3 4.09Å; V612-W624 HydrophobicContact CG1-CH2 3.8Å; V612-W624 HydrophobicContact CG1-CZ3 3.79Å; H613-W624 WeakPolarHBondContact CA-O 3.4Å; L614-W624 HydrophobicContact CB-CD2 3.84Å; L614-W624 VanDerWaalsContact CB-CE2 3.49Å; L614-W624 HydrophobicContact CB-CE3 4.47Å; L614-W624 HydrophobicContact CB-CG 4.16Å; L614-W624 HydrophobicContact CB-CH2 4.45Å; L614-W624 HydrophobicContact CB-CZ2 3.85Å; L614-W624 HydrophobicContact CD2-CZ2 4.46Å; L614-W624 VanDerWaalsContact CD2-NE1 3.28Å; L614-W624 PolarHBondContact N-O 3.49Å; L614-W624 VanDerWaalsContact N-O 3.12Å; L614-W624 PolarHBondContact O-N 2.86Å; P622-W624 PolarHBondContact O-N 3.42Å; W624-K626 HydrophobicContact CE3-CB 4.07Å; W624-K626 HydrophobicContact CZ3-CB 3.77Å; W624-L644 HydrophobicContact CH2-CD2 4.21Å; W624-L656 HydrophobicContact CH2-CD1 3.79Å; W624-L656 HydrophobicContact CZ3-CD1 4.32Å; W624-T658 PolarHBondContact NE1-O 3.37Å; W624-R661 HydrophobicContact CB-CG 4.1Å; W624-R661 HydrophobicContact CD2-CG 3.69Å; W624-R661 HydrophobicContact CE3-CG 4.3Å; W624-R661 HydrophobicContact CG-CG 3.6Å
625	S	96.2	Very high	96.9	Very high	45 Å²	45	36.3 Å²	36.3	32%	0.315	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139	173.5	-54	0	0	0	0	109.3	V612 H613	V612-S625 CarbonylContact O-C 3.57Å; V612-S625 WeakPolarHBondContact O-CA 3.39Å; H613-S625 PolarHBondContact CE1-OG 2.86Å; H613-S625 VanDerWaalsContact CE1-OG 3.29Å; H613-S625 VanDerWaalsContact ND1-CB 3.32Å; H613-S625 WeakPolarHBondContact ND1-CB 3.4Å; H613-S625 PolarHBondContact ND1-OG 3.09Å
626	K	96.9	Very high	96.9	Very high	54 Å²	54	36.3 Å²	36.3	24%	0.235	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.6	176.1	-172.7	173.1	-175.5	173	0	110.9	V612 W624 L656 R661	V612-K626 PolarHBondContact N-O 3.31Å; V612-K626 PolarHBondContact O-N 2.87Å; W624-K626 HydrophobicContact CE3-CB 4.07Å; W624-K626 HydrophobicContact CZ3-CB 3.77Å; K626-L656 HydrophobicContact CD-CD1 3.95Å; K626-L656 HydrophobicContact CD-CD2 3.86Å; K626-R661 PolarHBondContact NZ-O 3.06Å
627	T	97.3	Very high	96.9	Very high	80 Å²	80	35.8 Å²	35.8	49%	0.491	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.4	169.9	-50.2	0	0	0	0	110.3	K610 Q611	K610-T627 CarbonylContact O-C 3.11Å; K610-T627 WeakPolarHBondContact O-CA 2.97Å; Q611-T627 PolarHBondContact NE2-OG1 2.98Å
628	L	96.6	Very high	97.1	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.079	20%	0.201	C	C	.	.			trans	-94.4	165.2	172.5	-56	-173.8	0	0	0	111.8	K610 V612 D630 V646 L654	K610-L628 HydrophobicContact CB-CB 4.44Å; K610-L628 PolarHBondContact O-N 3.03Å; V612-L628 HydrophobicContact CG2-CD1 3.61Å; V612-L628 HydrophobicContact CG2-CD2 3.94Å; V612-L628 HydrophobicContact CG2-CG 3.78Å; L628-D630 WeakPolarHBondContact CB-O 3.49Å; L628-V646 HydrophobicContact CD1-CG1 3.94Å; L628-L654 HydrophobicContact CD1-CD2 4.29Å; L628-L654 HydrophobicContact CD2-CD1 4.21Å; L628-L654 HydrophobicContact CD2-CD2 4Å
629	E	96.4	Very high	97.3	Very high	125 Å²	125	35 Å²	35	58%	0.584	19%	0.191	S	C	*	.	S	Bend	trans	-72.5	-42.7	170.7	-167.7	-173.5	141.2	0	0	111.5	K610 R652	K610-E629 WeakPolarHBondContact CD-O 3.01Å; K610-E629 WeakPolarHBondContact CE-O 3.36Å; K610-E629 PolarHBondContact NZ-O 2.92Å; E629-R652 VanDerWaalsContact CD-NH2 3.27Å; E629-R652 IonicContact OE1-CZ 3.72Å; E629-R652 IonicContact OE1-NH1 3.36Å; E629-R652 PolarHBondContact OE1-NH1 3.4Å; E629-R652 IonicContact OE1-NH2 3.89Å; E629-R652 PolarHBondContact OE1-NH2 2.6Å; E629-R652 IonicContact OE2-CZ 3.08Å; E629-R652 IonicContact OE2-NH1 3.99Å; E629-R652 PolarHBondContact OE2-NH1 3.16Å; E629-R652 IonicContact OE2-NH2 2.73Å
630	D	97.3	Very high	97.4	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.134	19%	0.191	C	C	.	.	S	Bend	trans	-111.7	152.6	-176.3	-71.3	-25.1	0	0	0	111.9	L628 G632 T648 T650 R652	L628-D630 WeakPolarHBondContact CB-O 3.49Å; D630-G632 PolarHBondContact O-N 3.01Å; D630-T648 HydrophobicContact CB-CG2 4.02Å; D630-T650 HydrophobicContact CB-CG2 3.99Å; D630-T650 VanDerWaalsContact CG-OG1 3.31Å; D630-T650 PolarHBondContact OD2-OG1 3.17Å; D630-R652 IonicContact OD1-NH2 2.75Å; D630-R652 IonicContact OD2-CZ 3.73Å; D630-R652 IonicContact OD2-NE 3.4Å; D630-R652 PolarHBondContact OD2-NE 3.38Å; D630-R652 IonicContact OD2-NH2 3.58Å; D630-R652 PolarHBondContact OD2-NH2 2.77Å
631	P	98.3	Very high	97.4	Very high	31 Å²	31	33.9 Å²	33.9	20%	0.201	19%	0.188	C	C	.	.			trans	-56.2	130.7	175	-25.6	36.5	0	0	0	112.9	Q608 K610 T648 M649	Q608-P631 HydrophobicContact CB-CB 4.39Å; K610-P631 HydrophobicContact CG-CG 4.5Å; P631-T648 CarbonylContact O-C 3.57Å; P631-T648 WeakPolarHBondContact O-CA 3.19Å; P631-T648 VanDerWaalsContact O-CB 3.24Å; P631-T648 WeakPolarHBondContact O-CB 3.4Å; P631-M649 HydrophobicContact CB-CB 4.31Å; P631-M649 HydrophobicContact CB-CG 4.05Å; P631-M649 HydrophobicContact CB-SD 4.12Å; P631-M649 PolarHBondContact O-N 3.24Å
632	G	98.1	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	148.1	178.1	0	0	0	0	0	112.4	S607 D630	S607-G632 CarbonylContact C-O 3.59Å; S607-G632 PolarHBondContact O-N 3.48Å; D630-G632 PolarHBondContact O-N 3.01Å
633	R	98.3	Very high	97.6	Very high	33 Å²	33	32.6 Å²	32.6	13%	0.125	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-46.2	179	178.4	68.2	-175.5	175.4	8.7	113.6	W592 G593 G647 M649 I673 I674	W592-R633 CarbonylContact C-O 3.55Å; W592-R633 WeakPolarHBondContact CB-O 3.32Å; W592-R633 VanDerWaalsContact CD2-NH2 3.29Å; W592-R633 VanDerWaalsContact CZ3-NH2 3.26Å; W592-R633 VanDerWaalsContact NE1-NH1 3.17Å; G593-R633 WeakPolarHBondContact CA-O 3.31Å; G593-R633 PolarHBondContact N-O 2.81Å; G593-R633 VanDerWaalsContact N-O 3.09Å; R633-G647 PolarHBondContact N-O 3.42Å; R633-M649 HydrophobicContact CB-CG 4.25Å; R633-I673 HydrophobicContact CB-CG2 4.25Å; R633-I673 HydrophobicContact CG-CG2 3.51Å; R633-I674 WeakPolarHBondContact CG-O 3.49Å
634	S	98.6	Very high	97.7	Very high	7 Å²	7	29.1 Å²	29.1	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	156	-172.4	55.1	0	0	0	0	110.7	C606 V646 G647 I674 S675	C606-S634 PolarHBondContact SG-O 3Å; S634-V646 CarbonylContact O-C 3.6Å; S634-V646 WeakPolarHBondContact O-CA 3.25Å; S634-G647 PolarHBondContact N-O 2.84Å; S634-G647 VanDerWaalsContact N-O 3.16Å; S634-G647 PolarHBondContact O-N 3.34Å; S634-I674 PolarHBondContact OG-O 2.97Å; S634-S675 WeakPolarHBondContact CB-O 3.23Å
635	A	98.6	Very high	97.8	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154.5	-178.8	0	0	0	0	0	109.5	D595 V604 L644 A645	D595-A635 HydrophobicContact CB-CB 4.41Å; V604-A635 HydrophobicContact CG1-CB 3.68Å; A635-L644 HydrophobicContact CB-CD1 4.26Å; A635-A645 CarbonylContact C-O 3.54Å; A635-A645 WeakPolarHBondContact CA-O 3.26Å
636	G	98.5	Very high	97.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	121.6	178.6	0	0	0	0	0	111.9	D595 A645 Y679	D595-G636 VanDerWaalsContact OD2-CA 3.25Å; D595-G636 WeakPolarHBondContact OD2-CA 3.27Å; G636-A645 PolarHBondContact N-O 2.96Å; G636-A645 PolarHBondContact O-N 2.94Å; G636-Y679 WeakPolarHBondContact O-CE2 3.38Å
637	F	98.7	Very high	98	Very high	14 Å²	14	23.9 Å²	23.9	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.9	174.2	-77.5	-79.5	0	0	0	111.5	D595 V596 H597 V604 L614 L644 T658 Y679	D595-F637 HydrophobicContact CB-CD2 4.11Å; D595-F637 PolarHBondContact OD2-N 3.33Å; V596-F637 VanDerWaalsContact C-CD2 3.45Å; V596-F637 WeakPolarHBondContact O-CD2 3.32Å; H597-F637 HydrophobicContact CB-CE2 4.36Å; H597-F637 HydrophobicContact CB-CZ 4.31Å; H597-F637 AromaticContact CD2-CE1 3.89Å; V604-F637 HydrophobicContact CB-CE2 3.91Å; V604-F637 HydrophobicContact CB-CZ 3.94Å; V604-F637 HydrophobicContact CG1-CD2 4.26Å; V604-F637 HydrophobicContact CG1-CE2 3.57Å; V604-F637 HydrophobicContact CG1-CZ 4.05Å; L614-F637 HydrophobicContact CD1-CE1 4.39Å; L614-F637 HydrophobicContact CD1-CZ 3.76Å; F637-L644 HydrophobicContact CD1-CB 4.23Å; F637-L644 HydrophobicContact CD1-CD1 4.4Å; F637-L644 HydrophobicContact CE1-CB 4.23Å; F637-L644 HydrophobicContact CE1-CD1 4.43Å; F637-L644 HydrophobicContact CG-CD1 4.44Å; F637-T658 HydrophobicContact CE1-CG2 4.06Å; F637-Y679 VanDerWaalsContact C-CD2 3.43Å; F637-Y679 WeakPolarHBondContact O-CD2 3.19Å
638	H	98.6	Very high	98	Very high	13 Å²	13	20.1 Å²	20.1	6%	0.06	12%	0.117	C	C	.	.			trans	-69.7	143.8	162.9	179.3	-95.8	0	0	0	109.1	S640 G641 V643 Y679 G683	H638-S640 PolarHBondContact CE1-OG 3.45Å; H638-S640 WeakPolarHBondContact ND1-CB 3.4Å; H638-S640 PolarHBondContact ND1-N 3.27Å; H638-S640 PolarHBondContact ND1-OG 3.48Å; H638-S640 PolarHBondContact O-N 3.26Å; H638-G641 PolarHBondContact O-N 2.95Å; H638-V643 HydrophobicContact CB-CG2 3.5Å; H638-V643 PolarHBondContact N-O 3.28Å; H638-Y679 HydrophobicContact CB-CD1 4.24Å; H638-Y679 HydrophobicContact CB-CD2 4.23Å; H638-Y679 HydrophobicContact CB-CE1 4.14Å; H638-Y679 HydrophobicContact CB-CE2 4.14Å; H638-Y679 HydrophobicContact CB-CG 4.27Å; H638-Y679 AromaticContact CD2-CD1 3.63Å; H638-Y679 AromaticContact CD2-CE1 3.82Å; H638-G683 WeakPolarHBondContact NE2-CA 3.31Å; H638-G683 PolarHBondContact NE2-O 3.48Å
639	P	98.1	Very high	98.1	Very high	54 Å²	54	21.8 Å²	21.8	35%	0.351	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.2	-175	-27.2	35.2	0	0	0	115.6	P598 G641 S680	P598-P639 WeakPolarHBondContact CG-O 3.46Å; P639-G641 VanDerWaalsContact C-N 3.31Å; P639-S680 VanDerWaalsContact CG-O 3.26Å; P639-S680 WeakPolarHBondContact CG-O 3.43Å
640	S	97.2	Very high	98.1	Very high	60 Å²	60	18.3 Å²	18.3	42%	0.42	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.2	173.2	76.8	0	0	0	0	114.8	H638 A642	H638-S640 PolarHBondContact CE1-OG 3.45Å; H638-S640 WeakPolarHBondContact ND1-CB 3.4Å; H638-S640 PolarHBondContact ND1-N 3.27Å; H638-S640 PolarHBondContact ND1-OG 3.48Å; H638-S640 PolarHBondContact O-N 3.26Å; S640-A642 PolarHBondContact O-N 2.96Å
641	G	97.3	Very high	98.1	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	73.4	-27.4	-175.8	0	0	0	0	0	116	H597 H638 P639 V643 T658	H597-G641 WeakPolarHBondContact NE2-CA 3.46Å; H638-G641 PolarHBondContact O-N 2.95Å; P639-G641 VanDerWaalsContact C-N 3.31Å; G641-V643 VanDerWaalsContact C-N 3.27Å; G641-V643 PolarHBondContact O-N 3.37Å; G641-V643 VanDerWaalsContact O-N 3.12Å; G641-T658 VanDerWaalsContact O-CB 3.32Å; G641-T658 WeakPolarHBondContact O-CB 3.14Å; G641-T658 PolarHBondContact O-OG1 2.89Å
642	A	96.9	Very high	98.1	Very high	32 Å²	32	17.7 Å²	17.7	26%	0.264	10%	0.104	S	C	.	.	S	Bend	trans	-61.7	-21.9	-170.6	0	0	0	0	0	116.3	S640 T658	S640-A642 PolarHBondContact O-N 2.96Å; A642-T658 PolarHBondContact O-N 3.08Å; A642-T658 PolarHBondContact O-OG1 2.97Å
643	V	98.4	Very high	98.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158	175.8	-55.2	0	0	0	0	112.3	H638 G641 V655 L656 T658 V664 K705	H638-V643 HydrophobicContact CB-CG2 3.5Å; H638-V643 PolarHBondContact N-O 3.28Å; G641-V643 VanDerWaalsContact C-N 3.27Å; G641-V643 PolarHBondContact O-N 3.37Å; G641-V643 VanDerWaalsContact O-N 3.12Å; V643-V655 HydrophobicContact CB-CG1 3.74Å; V643-V655 HydrophobicContact CG1-CG1 4.35Å; V643-V655 HydrophobicContact CG2-CG1 3.95Å; V643-L656 CarbonylContact C-O 3.47Å; V643-L656 VanDerWaalsContact CA-O 3.25Å; V643-L656 WeakPolarHBondContact CA-O 3.48Å; V643-L656 WeakPolarHBondContact CB-O 3.36Å; V643-T658 WeakPolarHBondContact CA-OG1 3.26Å; V643-T658 PolarHBondContact N-OG1 3.49Å; V643-V664 HydrophobicContact CG1-CG2 4.4Å; V643-K705 HydrophobicContact CG1-CG 4.36Å
644	L	98.1	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.2	-177.7	164	66.6	0	0	0	109.8	V604 V612 W624 A635 F637 V646 V655 L656	V604-L644 HydrophobicContact CB-CD1 4.41Å; V604-L644 HydrophobicContact CB-CD2 4.21Å; V604-L644 HydrophobicContact CG1-CD1 3.76Å; V604-L644 HydrophobicContact CG1-CD2 4.43Å; V604-L644 HydrophobicContact CG2-CD1 4.34Å; V604-L644 HydrophobicContact CG2-CD2 3.5Å; V604-L644 VanDerWaalsContact CG2-CD2 3.5Å; V612-L644 HydrophobicContact CG1-CD2 4.2Å; W624-L644 HydrophobicContact CH2-CD2 4.21Å; A635-L644 HydrophobicContact CB-CD1 4.26Å; F637-L644 HydrophobicContact CD1-CB 4.23Å; F637-L644 HydrophobicContact CD1-CD1 4.4Å; F637-L644 HydrophobicContact CE1-CB 4.23Å; F637-L644 HydrophobicContact CE1-CD1 4.43Å; F637-L644 HydrophobicContact CG-CD1 4.44Å; L644-V646 HydrophobicContact CD2-CG2 4.11Å; L644-V646 HydrophobicContact CG-CG2 4.02Å; L644-V655 CarbonylContact O-C 3.6Å; L644-V655 VanDerWaalsContact O-CA 3.29Å; L644-V655 WeakPolarHBondContact O-CA 3.26Å; L644-L656 PolarHBondContact N-O 2.96Å; L644-L656 PolarHBondContact O-N 3.23Å
645	A	98.8	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	142	165.7	0	0	0	0	0	110.9	A635 G636 L654 V655 V677 Y679 L686	A635-A645 CarbonylContact C-O 3.54Å; A635-A645 WeakPolarHBondContact CA-O 3.26Å; G636-A645 PolarHBondContact N-O 2.96Å; G636-A645 PolarHBondContact O-N 2.94Å; A645-L654 CarbonylContact C-O 3.59Å; A645-L654 WeakPolarHBondContact CA-O 3.32Å; A645-V655 HydrophobicContact CB-CG2 4.38Å; A645-V677 HydrophobicContact CB-CB 4.32Å; A645-V677 HydrophobicContact CB-CG2 4.04Å; A645-Y679 HydrophobicContact CB-CE2 3.76Å; A645-L686 HydrophobicContact CB-CD1 4.42Å; A645-L686 HydrophobicContact CB-CD2 4.28Å
646	V	98.8	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.4	172.7	-176.2	0	0	0	0	109.4	C606 V612 L628 S634 L644 W653 L654	C606-V646 HydrophobicContact CB-CG1 4.15Å; V612-V646 HydrophobicContact CG1-CG2 4.43Å; V612-V646 HydrophobicContact CG2-CG1 4.21Å; V612-V646 HydrophobicContact CG2-CG2 4.21Å; L628-V646 HydrophobicContact CD1-CG1 3.94Å; S634-V646 CarbonylContact O-C 3.6Å; S634-V646 WeakPolarHBondContact O-CA 3.25Å; L644-V646 HydrophobicContact CD2-CG2 4.11Å; L644-V646 HydrophobicContact CG-CG2 4.02Å; V646-W653 VanDerWaalsContact O-CA 3.27Å; V646-W653 WeakPolarHBondContact O-CA 3.33Å; V646-W653 WeakPolarHBondContact O-CB 3.11Å; V646-L654 HydrophobicContact CB-CD1 4.37Å; V646-L654 HydrophobicContact CB-CG 4.36Å; V646-L654 PolarHBondContact N-O 3.14Å; V646-L654 PolarHBondContact O-N 3.26Å
647	G	98.6	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.5	171.4	0	0	0	0	0	111.4	R633 S634	R633-G647 PolarHBondContact N-O 3.42Å; S634-G647 PolarHBondContact N-O 2.84Å; S634-G647 VanDerWaalsContact N-O 3.16Å; S634-G647 PolarHBondContact O-N 3.34Å
648	T	98.6	Very high	98	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	174	-177.6	73.3	0	0	0	0	111.9	D630 P631 T650 R652 I674	D630-T648 HydrophobicContact CB-CG2 4.02Å; P631-T648 CarbonylContact O-C 3.57Å; P631-T648 WeakPolarHBondContact O-CA 3.19Å; P631-T648 VanDerWaalsContact O-CB 3.24Å; P631-T648 WeakPolarHBondContact O-CB 3.4Å; T648-T650 VanDerWaalsContact C-N 3.25Å; T648-T650 PolarHBondContact O-N 3.36Å; T648-T650 PolarHBondContact OG1-N 3.49Å; T648-T650 PolarHBondContact OG1-OG1 2.54Å; T648-R652 WeakPolarHBondContact CB-O 3.46Å; T648-R652 HydrophobicContact CG2-CB 4.42Å; T648-R652 WeakPolarHBondContact CG2-O 3.48Å; T648-R652 PolarHBondContact N-O 3.48Å; T648-R652 WeakPolarHBondContact OG1-CB 3.27Å; T648-R652 PolarHBondContact OG1-N 3Å; T648-R652 PolarHBondContact OG1-O 3.09Å; T648-I674 WeakPolarHBondContact O-CB 3.22Å; T648-I674 PolarHBondContact O-N 2.88Å
649	M	97.9	Very high	97.8	Very high	49 Å²	49	21.3 Å²	21.3	24%	0.241	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.3	174.7	-62	-163.8	77.1	0	0	114.9	Q608 P631 R633 I673	Q608-M649 HydrophobicContact CG-SD 3.61Å; P631-M649 HydrophobicContact CB-CB 4.31Å; P631-M649 HydrophobicContact CB-CG 4.05Å; P631-M649 HydrophobicContact CB-SD 4.12Å; P631-M649 PolarHBondContact O-N 3.24Å; R633-M649 HydrophobicContact CB-CG 4.25Å; M649-I673 HydrophobicContact CB-CG1 4.21Å; M649-I673 HydrophobicContact CE-CD1 3.56Å; M649-I673 HydrophobicContact CE-CG1 3.92Å
650	T	96.9	Very high	97.7	Very high	52 Å²	52	22.3 Å²	22.3	32%	0.319	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	11.9	-168	60.4	0	0	0	0	114.6	D630 T648 R652	D630-T650 HydrophobicContact CB-CG2 3.99Å; D630-T650 VanDerWaalsContact CG-OG1 3.31Å; D630-T650 PolarHBondContact OD2-OG1 3.17Å; T648-T650 VanDerWaalsContact C-N 3.25Å; T648-T650 PolarHBondContact O-N 3.36Å; T648-T650 PolarHBondContact OG1-N 3.49Å; T648-T650 PolarHBondContact OG1-OG1 2.54Å; T650-R652 PolarHBondContact O-N 2.89Å; T650-R652 WeakPolarHBondContact OG1-CB 3.43Å
651	G	96.8	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	77	-5	-168.8	0	0	0	0	0	113.8	T668 D669 E672	G651-T668 WeakPolarHBondContact O-CA 3.41Å; G651-D669 PolarHBondContact O-N 2.83Å; G651-E672 WeakPolarHBondContact CA-O 3.27Å; G651-E672 PolarHBondContact N-O 2.8Å
652	R	98.3	Very high	97.6	Very high	43 Å²	43	29.7 Å²	29.7	16%	0.162	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	144.9	173.4	-154.3	-169.3	-51.6	-151.4	10.1	110.4	E629 D630 T648 T650 M666 H667	E629-R652 VanDerWaalsContact CD-NH2 3.27Å; E629-R652 IonicContact OE1-CZ 3.72Å; E629-R652 IonicContact OE1-NH1 3.36Å; E629-R652 PolarHBondContact OE1-NH1 3.4Å; E629-R652 IonicContact OE1-NH2 3.89Å; E629-R652 PolarHBondContact OE1-NH2 2.6Å; E629-R652 IonicContact OE2-CZ 3.08Å; E629-R652 IonicContact OE2-NH1 3.99Å; E629-R652 PolarHBondContact OE2-NH1 3.16Å; E629-R652 IonicContact OE2-NH2 2.73Å; D630-R652 IonicContact OD1-NH2 2.75Å; D630-R652 IonicContact OD2-CZ 3.73Å; D630-R652 IonicContact OD2-NE 3.4Å; D630-R652 PolarHBondContact OD2-NE 3.38Å; D630-R652 IonicContact OD2-NH2 3.58Å; D630-R652 PolarHBondContact OD2-NH2 2.77Å; T648-R652 WeakPolarHBondContact CB-O 3.46Å; T648-R652 HydrophobicContact CG2-CB 4.42Å; T648-R652 WeakPolarHBondContact CG2-O 3.48Å; T648-R652 PolarHBondContact N-O 3.48Å; T648-R652 WeakPolarHBondContact OG1-CB 3.27Å; T648-R652 PolarHBondContact OG1-N 3Å; T648-R652 PolarHBondContact OG1-O 3.09Å; T650-R652 PolarHBondContact O-N 2.89Å; T650-R652 WeakPolarHBondContact OG1-CB 3.43Å; R652-M666 HydrophobicContact CG-CG 4.16Å; R652-H667 WeakPolarHBondContact CA-O 3.5Å; R652-H667 VanDerWaalsContact CG-O 3.25Å; R652-H667 WeakPolarHBondContact CG-O 3.45Å
653	W	98.6	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.8	164.9	63.1	-87.6	0	0	0	109.6	V646 V655 H667 D669 L686 V688 Y698 Y707	V646-W653 VanDerWaalsContact O-CA 3.27Å; V646-W653 WeakPolarHBondContact O-CA 3.33Å; V646-W653 WeakPolarHBondContact O-CB 3.11Å; W653-V655 HydrophobicContact CE3-CG2 4.21Å; W653-V655 HydrophobicContact CZ3-CG2 3.74Å; W653-H667 HydrophobicContact CD2-CB 3.97Å; W653-H667 AromaticContact CE2-CG 3.95Å; W653-H667 HydrophobicContact CG-CB 4.45Å; W653-H667 HydrophobicContact CH2-CB 4.12Å; W653-H667 AromaticContact CH2-CD2 3.32Å; W653-H667 WeakPolarHBondContact CH2-CD2 3.27Å; W653-H667 AromaticContact CH2-CG 3.76Å; W653-H667 AromaticContact CH2-NE2 3.96Å; W653-H667 HydrophobicContact CZ2-CB 3.44Å; W653-H667 VanDerWaalsContact CZ2-CB 3.44Å; W653-H667 AromaticContact CZ2-CD2 3.57Å; W653-H667 AromaticContact CZ2-CG 3.48Å; W653-H667 VanDerWaalsContact CZ2-CG 3.48Å; W653-H667 AromaticContact CZ3-CD2 3.77Å; W653-H667 PolarHBondContact N-O 2.8Å; W653-H667 PolarHBondContact O-N 3.04Å; W653-H667 VanDerWaalsContact O-O 3.13Å; W653-D669 PolarHBondContact NE1-OD2 3.27Å; W653-L686 HydrophobicContact CE3-CD2 4.08Å; W653-L686 HydrophobicContact CH2-CD2 3.8Å; W653-L686 HydrophobicContact CZ3-CD2 3.5Å; W653-V688 HydrophobicContact CD2-CG2 4.15Å; W653-V688 HydrophobicContact CG-CG1 4.22Å; W653-V688 HydrophobicContact CG-CG2 4.42Å; W653-V688 HydrophobicContact CZ2-CG2 4.3Å; W653-Y698 HydrophobicContact CH2-CD1 4.29Å; W653-Y698 HydrophobicContact CH2-CD2 4.39Å; W653-Y698 HydrophobicContact CH2-CE1 4.43Å; W653-Y698 HydrophobicContact CH2-CG 4.28Å; W653-Y698 HydrophobicContact CZ2-CD1 4.05Å; W653-Y698 AromaticContact CZ2-CD2 3.74Å; W653-Y698 HydrophobicContact CZ2-CD2 3.74Å; W653-Y698 AromaticContact CZ2-CE1 3.84Å; W653-Y698 HydrophobicContact CZ2-CE1 3.84Å; W653-Y698 AromaticContact CZ2-CE2 3.51Å; W653-Y698 HydrophobicContact CZ2-CE2 3.51Å; W653-Y698 HydrophobicContact CZ2-CG 4.01Å; W653-Y698 AromaticContact CZ2-CZ 3.57Å; W653-Y707 AromaticContact CH2-CD1 3.81Å; W653-Y707 HydrophobicContact CH2-CD1 3.81Å; W653-Y707 HydrophobicContact CH2-CE1 4.44Å; W653-Y707 HydrophobicContact CH2-CG 4.12Å; W653-Y707 HydrophobicContact CZ3-CD1 4.16Å; W653-Y707 HydrophobicContact CZ3-CE1 4.36Å
654	L	98.5	Very high	97.6	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.3	-173	64.6	98	0	0	0	111	L628 A645 V646 L656 L663 S665 M666	L628-L654 HydrophobicContact CD1-CD2 4.29Å; L628-L654 HydrophobicContact CD2-CD1 4.21Å; L628-L654 HydrophobicContact CD2-CD2 4Å; A645-L654 CarbonylContact C-O 3.59Å; A645-L654 WeakPolarHBondContact CA-O 3.32Å; V646-L654 HydrophobicContact CB-CD1 4.37Å; V646-L654 HydrophobicContact CB-CG 4.36Å; V646-L654 PolarHBondContact N-O 3.14Å; V646-L654 PolarHBondContact O-N 3.26Å; L654-L656 HydrophobicContact CD1-CD1 4.25Å; L654-L656 HydrophobicContact CD1-CD2 3.58Å; L654-L656 HydrophobicContact CD1-CG 3.67Å; L654-L663 HydrophobicContact CB-CD1 3.9Å; L654-L663 HydrophobicContact CD1-CD1 4.13Å; L654-S665 WeakPolarHBondContact CA-O 3.47Å; L654-M666 HydrophobicContact CB-CB 4.36Å; L654-M666 HydrophobicContact CB-CG 4.19Å
655	V	98.7	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132	178.8	-177.7	0	0	0	0	109.5	V643 L644 A645 W653 V664 S665 Y707	V643-V655 HydrophobicContact CB-CG1 3.74Å; V643-V655 HydrophobicContact CG1-CG1 4.35Å; V643-V655 HydrophobicContact CG2-CG1 3.95Å; L644-V655 CarbonylContact O-C 3.6Å; L644-V655 VanDerWaalsContact O-CA 3.29Å; L644-V655 WeakPolarHBondContact O-CA 3.26Å; A645-V655 HydrophobicContact CB-CG2 4.38Å; W653-V655 HydrophobicContact CE3-CG2 4.21Å; W653-V655 HydrophobicContact CZ3-CG2 3.74Å; V655-V664 HydrophobicContact CB-CB 4.21Å; V655-V664 HydrophobicContact CG1-CB 4.04Å; V655-V664 HydrophobicContact CG1-CG1 4.28Å; V655-V664 PolarHBondContact O-N 2.93Å; V655-S665 WeakPolarHBondContact CB-OG 3.24Å; V655-S665 VanDerWaalsContact CG2-OG 3.27Å; V655-S665 WeakPolarHBondContact CG2-OG 3.46Å; V655-S665 PolarHBondContact N-O 2.96Å; V655-Y707 HydrophobicContact CB-CE2 4.31Å; V655-Y707 HydrophobicContact CG1-CE2 4.29Å; V655-Y707 HydrophobicContact CG2-CE1 4.22Å; V655-Y707 HydrophobicContact CG2-CE2 3.86Å
656	L	98.5	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.6	176.6	-59.2	-179.6	0	0	0	110	W624 K626 V643 L644 L654 D662 L663	W624-L656 HydrophobicContact CH2-CD1 3.79Å; W624-L656 HydrophobicContact CZ3-CD1 4.32Å; K626-L656 HydrophobicContact CD-CD1 3.95Å; K626-L656 HydrophobicContact CD-CD2 3.86Å; V643-L656 CarbonylContact C-O 3.47Å; V643-L656 VanDerWaalsContact CA-O 3.25Å; V643-L656 WeakPolarHBondContact CA-O 3.48Å; V643-L656 WeakPolarHBondContact CB-O 3.36Å; L644-L656 PolarHBondContact N-O 2.96Å; L644-L656 PolarHBondContact O-N 3.23Å; L654-L656 HydrophobicContact CD1-CD1 4.25Å; L654-L656 HydrophobicContact CD1-CD2 3.58Å; L654-L656 HydrophobicContact CD1-CG 3.67Å; L656-D662 VanDerWaalsContact CA-O 3.32Å; L656-D662 WeakPolarHBondContact CA-O 3.33Å; L656-L663 HydrophobicContact CD2-CD1 4.41Å
657	D	97.8	Very high	97.4	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.5	162.4	-170.9	-73.7	0	0	0	108.2	D659 T660 R661 D662 V664 K705	D657-D659 VanDerWaalsContact C-N 3.3Å; D657-D659 PolarHBondContact O-N 3.17Å; D657-D659 PolarHBondContact OD1-N 3.02Å; D657-T660 PolarHBondContact OD1-N 3.22Å; D657-T660 VanDerWaalsContact OD1-N 3.07Å; D657-R661 WeakPolarHBondContact O-CA 3.43Å; D657-R661 PolarHBondContact O-N 3.21Å; D657-D662 PolarHBondContact N-O 3.14Å; D657-V664 HydrophobicContact CB-CG2 3.88Å; D657-K705 IonicContact OD2-NZ 2.69Å; D657-K705 PolarHBondContact OD2-NZ 2.81Å
658	T	96.9	Very high	97.4	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.025	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.7	-170.7	-58.7	0	0	0	0	112.2	L614 W624 F637 G641 A642 V643	L614-T658 HydrophobicContact CD2-CG2 3.94Å; W624-T658 PolarHBondContact NE1-O 3.37Å; F637-T658 HydrophobicContact CE1-CG2 4.06Å; G641-T658 VanDerWaalsContact O-CB 3.32Å; G641-T658 WeakPolarHBondContact O-CB 3.14Å; G641-T658 PolarHBondContact O-OG1 2.89Å; A642-T658 PolarHBondContact O-N 3.08Å; A642-T658 PolarHBondContact O-OG1 2.97Å; V643-T658 WeakPolarHBondContact CA-OG1 3.26Å; V643-T658 PolarHBondContact N-OG1 3.49Å
659	D	94.1	Very high	97.2	Very high	122 Å²	122	46.7 Å²	46.7	65%	0.652	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-51.1	-177	-67.9	-37.8	0	0	0	111.5	D657	D657-D659 VanDerWaalsContact C-N 3.3Å; D657-D659 PolarHBondContact O-N 3.17Å; D657-D659 PolarHBondContact OD1-N 3.02Å
660	T	95.6	Very high	97	Very high	74 Å²	74	46.2 Å²	46.2	45%	0.454	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.9	-174.6	81.8	0	0	0	0	113.3	D657 D662	D657-T660 PolarHBondContact OD1-N 3.22Å; D657-T660 VanDerWaalsContact OD1-N 3.07Å; T660-D662 VanDerWaalsContact CB-OD2 3.27Å; T660-D662 WeakPolarHBondContact CB-OD2 3.4Å; T660-D662 PolarHBondContact O-N 2.89Å; T660-D662 VanDerWaalsContact OG1-CB 3.32Å; T660-D662 WeakPolarHBondContact OG1-CB 3.33Å; T660-D662 PolarHBondContact OG1-N 3.37Å; T660-D662 PolarHBondContact OG1-OD2 3.26Å
661	R	95.9	Very high	96.9	Very high	116 Å²	116	48.1 Å²	48.1	44%	0.438	27%	0.267	S	S	.	.			trans	68.2	6.8	-175.5	-40.5	147.8	-160.6	-157.7	-4.3	113	W624 K626 D657	W624-R661 HydrophobicContact CB-CG 4.1Å; W624-R661 HydrophobicContact CD2-CG 3.69Å; W624-R661 HydrophobicContact CE3-CG 4.3Å; W624-R661 HydrophobicContact CG-CG 3.6Å; K626-R661 PolarHBondContact NZ-O 3.06Å; D657-R661 WeakPolarHBondContact O-CA 3.43Å; D657-R661 PolarHBondContact O-N 3.21Å
662	D	96.4	Very high	96.9	Very high	102 Å²	102	52.2 Å²	52.2	55%	0.545	29%	0.286	S	S	.	.			trans	-68.1	154.4	-178.2	-71	-48.9	0	0	0	111.5	L656 D657 T660 V664	L656-D662 VanDerWaalsContact CA-O 3.32Å; L656-D662 WeakPolarHBondContact CA-O 3.33Å; D657-D662 PolarHBondContact N-O 3.14Å; T660-D662 VanDerWaalsContact CB-OD2 3.27Å; T660-D662 WeakPolarHBondContact CB-OD2 3.4Å; T660-D662 PolarHBondContact O-N 2.89Å; T660-D662 VanDerWaalsContact OG1-CB 3.32Å; T660-D662 WeakPolarHBondContact OG1-CB 3.33Å; T660-D662 PolarHBondContact OG1-N 3.37Å; T660-D662 PolarHBondContact OG1-OD2 3.26Å; D662-V664 PolarHBondContact O-N 3.17Å
663	L	97.6	Very high	96.9	Very high	92 Å²	92	51.9 Å²	51.9	48%	0.482	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	115.3	172.4	-177.6	68.9	0	0	0	109.1	L654 L656 S665 M666	L654-L663 HydrophobicContact CB-CD1 3.9Å; L654-L663 HydrophobicContact CD1-CD1 4.13Å; L656-L663 HydrophobicContact CD2-CD1 4.41Å; L663-S665 WeakPolarHBondContact CD1-O 3.23Å; L663-M666 HydrophobicContact CD1-CB 4.41Å; L663-M666 HydrophobicContact CD2-CB 4.41Å
664	V	97.6	Very high	96.9	Very high	46 Å²	46	51.9 Å²	51.9	28%	0.279	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-49.2	179.1	174.1	0	0	0	0	110.7	V643 V655 D657 D662 K705	V643-V664 HydrophobicContact CG1-CG2 4.4Å; V655-V664 HydrophobicContact CB-CB 4.21Å; V655-V664 HydrophobicContact CG1-CB 4.04Å; V655-V664 HydrophobicContact CG1-CG1 4.28Å; V655-V664 PolarHBondContact O-N 2.93Å; D657-V664 HydrophobicContact CB-CG2 3.88Å; D662-V664 PolarHBondContact O-N 3.17Å; V664-K705 HydrophobicContact CG1-CB 4.21Å; V664-K705 HydrophobicContact CG1-CG 4.31Å
665	S	96.8	Very high	96.9	Very high	18 Å²	18	52 Å²	52	13%	0.126	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.3	177.5	70.8	0	0	0	0	111.2	L654 V655 L663 Y707	L654-S665 WeakPolarHBondContact CA-O 3.47Å; V655-S665 WeakPolarHBondContact CB-OG 3.24Å; V655-S665 VanDerWaalsContact CG2-OG 3.27Å; V655-S665 WeakPolarHBondContact CG2-OG 3.46Å; V655-S665 PolarHBondContact N-O 2.96Å; L663-S665 WeakPolarHBondContact CD1-O 3.23Å; S665-Y707 WeakPolarHBondContact OG-CD2 3.28Å
666	M	97.5	Very high	96.9	Very high	94 Å²	94	53.6 Å²	53.6	46%	0.463	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	134.9	176.2	-173.4	172.7	68.2	0	0	109.3	R652 L654 L663	R652-M666 HydrophobicContact CG-CG 4.16Å; L654-M666 HydrophobicContact CB-CB 4.36Å; L654-M666 HydrophobicContact CB-CG 4.19Å; L663-M666 HydrophobicContact CD1-CB 4.41Å; L663-M666 HydrophobicContact CD2-CB 4.41Å
667	H	98.2	Very high	96.9	Very high	49 Å²	49	53.7 Å²	53.7	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	167	-172	-65.9	-91.9	0	0	0	110.2	R652 W653 Y698	R652-H667 WeakPolarHBondContact CA-O 3.5Å; R652-H667 VanDerWaalsContact CG-O 3.25Å; R652-H667 WeakPolarHBondContact CG-O 3.45Å; W653-H667 HydrophobicContact CD2-CB 3.97Å; W653-H667 AromaticContact CE2-CG 3.95Å; W653-H667 HydrophobicContact CG-CB 4.45Å; W653-H667 HydrophobicContact CH2-CB 4.12Å; W653-H667 AromaticContact CH2-CD2 3.32Å; W653-H667 WeakPolarHBondContact CH2-CD2 3.27Å; W653-H667 AromaticContact CH2-CG 3.76Å; W653-H667 AromaticContact CH2-NE2 3.96Å; W653-H667 HydrophobicContact CZ2-CB 3.44Å; W653-H667 VanDerWaalsContact CZ2-CB 3.44Å; W653-H667 AromaticContact CZ2-CD2 3.57Å; W653-H667 AromaticContact CZ2-CG 3.48Å; W653-H667 VanDerWaalsContact CZ2-CG 3.48Å; W653-H667 AromaticContact CZ3-CD2 3.77Å; W653-H667 PolarHBondContact N-O 2.8Å; W653-H667 PolarHBondContact O-N 3.04Å; W653-H667 VanDerWaalsContact O-O 3.13Å; H667-Y698 AromaticContact ND1-CE1 3.88Å
668	T	98.1	Very high	96.9	Very high	90 Å²	90	54.5 Å²	54.5	55%	0.552	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	121	178.1	-48.4	0	0	0	0	108.8	G651	G651-T668 WeakPolarHBondContact O-CA 3.41Å
669	D	95.5	Very high	97	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.302	C	S	.	.			trans	-129.4	105.2	-179.9	-72.6	-76.2	0	0	0	108.5	G651 W653 Y696 Y698 R709	G651-D669 PolarHBondContact O-N 2.83Å; W653-D669 PolarHBondContact NE1-OD2 3.27Å; D669-Y696 HydrophobicContact CB-CD1 3.95Å; D669-Y696 HydrophobicContact CB-CD2 3.68Å; D669-Y696 HydrophobicContact CB-CE1 4.01Å; D669-Y696 HydrophobicContact CB-CE2 3.78Å; D669-Y696 HydrophobicContact CB-CG 3.77Å; D669-Y696 WeakPolarHBondContact OD1-CD1 3.26Å; D669-Y698 VanDerWaalsContact CG-OH 3.3Å; D669-Y698 PolarHBondContact OD1-OH 3.24Å; D669-Y698 VanDerWaalsContact OD2-CE2 3.29Å; D669-Y698 WeakPolarHBondContact OD2-CE2 3.35Å; D669-Y698 PolarHBondContact OD2-OH 2.88Å; D669-R709 WeakPolarHBondContact OD1-CD 3.46Å; D669-R709 IonicContact OD1-CZ 3.67Å; D669-R709 IonicContact OD1-NH1 3.22Å; D669-R709 PolarHBondContact OD1-NH1 3.46Å
670	G	92.7	Very high	97.2	Very high	39 Å²	39	49.1 Å²	49.1	40%	0.402	27%	0.271	S	S	.	.	S	Bend	trans	77.1	-158.6	-170	0	0	0	0	0	112.9
671	S	94.7	Very high	97.3	Very high	91 Å²	91	48.2 Å²	48.2	64%	0.636	27%	0.266	S	S	*	.	S	Bend	trans	-137.7	12.8	176.4	59.4	0	0	0	0	112.2
672	E	97.9	Very high	97.4	Very high	87 Å²	87	46 Å²	46	41%	0.407	26%	0.263	S	S	.	.	S	Bend	trans	-108.7	164.6	-172.7	-66.5	-66.6	165.3	0	0	110.2	G651 I674 H691 D692	G651-E672 WeakPolarHBondContact CA-O 3.27Å; G651-E672 PolarHBondContact N-O 2.8Å; E672-I674 PolarHBondContact O-N 2.97Å; E672-H691 HydrophobicContact CB-CB 4.02Å; E672-D692 HydrophobicContact CB-CB 4.03Å; E672-D692 HydrophobicContact CG-CB 3.87Å
673	I	98.4	Very high	97.5	Very high	35 Å²	35	41.3 Å²	41.3	18%	0.179	24%	0.239	C	C	.	.			trans	-55.4	127	-177	-61.9	166.8	0	0	0	111.7	R633 M649 S675 S690 H691	R633-I673 HydrophobicContact CB-CG2 4.25Å; R633-I673 HydrophobicContact CG-CG2 3.51Å; M649-I673 HydrophobicContact CB-CG1 4.21Å; M649-I673 HydrophobicContact CE-CD1 3.56Å; M649-I673 HydrophobicContact CE-CG1 3.92Å; I673-S675 PolarHBondContact O-N 3.42Å; I673-S675 VanDerWaalsContact O-N 3.17Å; I673-S690 CarbonylContact O-C 3.58Å; I673-S690 WeakPolarHBondContact O-CA 3.38Å; I673-H691 HydrophobicContact CB-CB 4.19Å; I673-H691 PolarHBondContact O-N 2.7Å
674	I	98.6	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.			trans	-80.7	92.5	170.6	-55.8	-53.4	0	0	0	108.9	R633 S634 T648 E672 V677 V688 A689	R633-I674 WeakPolarHBondContact CG-O 3.49Å; S634-I674 PolarHBondContact OG-O 2.97Å; T648-I674 WeakPolarHBondContact O-CB 3.22Å; T648-I674 PolarHBondContact O-N 2.88Å; E672-I674 PolarHBondContact O-N 2.97Å; I674-V677 HydrophobicContact CG2-CG1 3.55Å; I674-V688 HydrophobicContact CD1-CG1 3.99Å; I674-V688 HydrophobicContact CG1-CG1 4.48Å; I674-V688 HydrophobicContact CG2-CG1 3.64Å; I674-A689 CarbonylContact C-O 3.57Å; I674-A689 WeakPolarHBondContact CA-O 3.32Å
675	S	97.9	Very high	97.5	Very high	15 Å²	15	40.4 Å²	40.4	11%	0.105	23%	0.232	C	C	.	.			trans	-69.2	-32.2	-172.8	50.1	0	0	0	0	114	S634 I673 A689 V720	S634-S675 WeakPolarHBondContact CB-O 3.23Å; I673-S675 PolarHBondContact O-N 3.42Å; I673-S675 VanDerWaalsContact O-N 3.17Å; S675-A689 PolarHBondContact N-O 3.03Å; S675-A689 PolarHBondContact OG-O 3.39Å; S675-V720 VanDerWaalsContact CB-O 3.31Å; S675-V720 WeakPolarHBondContact CB-O 3.47Å; S675-V720 PolarHBondContact OG-O 3.19Å
676	N	98.1	Very high	97.6	Very high	33 Å²	33	39.6 Å²	39.6	18%	0.176	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	140.6	-179.6	-158.6	-85	0	0	0	111.5	A689 L723	N676-A689 HydrophobicContact CB-CB 4.16Å; N676-A689 PolarHBondContact O-N 3.16Å; N676-L723 HydrophobicContact CB-CD2 4.02Å
677	V	98.4	Very high	97.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.8	171	-67.4	0	0	0	0	108.6	A645 I674 L686 A687 V688	A645-V677 HydrophobicContact CB-CB 4.32Å; A645-V677 HydrophobicContact CB-CG2 4.04Å; I674-V677 HydrophobicContact CG2-CG1 3.55Å; V677-L686 HydrophobicContact CB-CD1 4.4Å; V677-A687 WeakPolarHBondContact CA-O 3.46Å; V677-V688 HydrophobicContact CG1-CB 4.49Å; V677-V688 HydrophobicContact CG1-CG1 4.17Å; V677-V688 HydrophobicContact CG1-CG2 4.25Å
678	K	98.6	Very high	97.7	Very high	35 Å²	35	32.8 Å²	32.8	15%	0.152	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	127.9	-176	-145.5	176.1	-166.2	168.2	0	111.5	A687 L723 D724 W725 T765 T767	K678-A687 PolarHBondContact N-O 3.17Å; K678-A687 PolarHBondContact O-N 3.35Å; K678-L723 HydrophobicContact CB-CD1 3.65Å; K678-L723 HydrophobicContact CB-CG 4.39Å; K678-L723 HydrophobicContact CD-CD1 3.96Å; K678-L723 HydrophobicContact CG-CD1 4.45Å; K678-L723 PolarHBondContact NZ-O 3.35Å; K678-D724 IonicContact NZ-OD1 2.75Å; K678-D724 PolarHBondContact NZ-OD1 3.44Å; K678-W725 PolarHBondContact O-NE1 3.37Å; K678-T765 WeakPolarHBondContact CE-OG1 3.38Å; K678-T765 PolarHBondContact NZ-OG1 3.04Å; K678-T767 PolarHBondContact NZ-OG1 2.98Å
679	Y	98.8	Very high	97.7	Very high	13 Å²	13	28.5 Å²	28.5	5%	0.051	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	153	172.2	-67.5	-93.7	0	0	0	111.1	G636 F637 H638 A645 F685 L686 V700 Y707 W725	G636-Y679 WeakPolarHBondContact O-CE2 3.38Å; F637-Y679 VanDerWaalsContact C-CD2 3.43Å; F637-Y679 WeakPolarHBondContact O-CD2 3.19Å; H638-Y679 HydrophobicContact CB-CD1 4.24Å; H638-Y679 HydrophobicContact CB-CD2 4.23Å; H638-Y679 HydrophobicContact CB-CE1 4.14Å; H638-Y679 HydrophobicContact CB-CE2 4.14Å; H638-Y679 HydrophobicContact CB-CG 4.27Å; H638-Y679 AromaticContact CD2-CD1 3.63Å; H638-Y679 AromaticContact CD2-CE1 3.82Å; A645-Y679 HydrophobicContact CB-CE2 3.76Å; Y679-F685 CarbonylContact C-O 3.54Å; Y679-F685 VanDerWaalsContact CA-O 3.27Å; Y679-F685 WeakPolarHBondContact CA-O 3.3Å; Y679-L686 HydrophobicContact CD1-CB 3.95Å; Y679-L686 HydrophobicContact CD1-CD1 4.17Å; Y679-L686 HydrophobicContact CD2-CD1 3.92Å; Y679-L686 HydrophobicContact CE1-CB 3.93Å; Y679-L686 HydrophobicContact CE1-CD1 4.15Å; Y679-L686 HydrophobicContact CE1-CD2 4.23Å; Y679-L686 HydrophobicContact CE1-CG 4.33Å; Y679-L686 HydrophobicContact CE2-CD1 3.89Å; Y679-L686 HydrophobicContact CG-CD1 4.07Å; Y679-V700 HydrophobicContact CD1-CG2 4.22Å; Y679-V700 HydrophobicContact CE1-CG1 4.2Å; Y679-V700 HydrophobicContact CE1-CG2 4.06Å; Y679-Y707 AromaticContact CE1-CE1 3.9Å; Y679-Y707 HydrophobicContact CE1-CE1 3.9Å; Y679-Y707 PolarHBondContact OH-OH 2.83Å; Y679-W725 PolarHBondContact O-NE1 3.07Å
680	S	98.4	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.			trans	-67.1	152.7	167	55.2	0	0	0	0	110.8	P639 D682 G683 N684 F685	P639-S680 VanDerWaalsContact CG-O 3.26Å; P639-S680 WeakPolarHBondContact CG-O 3.43Å; S680-D682 VanDerWaalsContact CB-OD1 3.31Å; S680-D682 WeakPolarHBondContact CB-OD1 3.23Å; S680-D682 PolarHBondContact O-N 3.11Å; S680-D682 VanDerWaalsContact O-N 3.17Å; S680-D682 PolarHBondContact OG-OD1 3.35Å; S680-G683 PolarHBondContact O-N 3.37Å; S680-N684 PolarHBondContact OG-N 3.04Å; S680-F685 PolarHBondContact N-O 3.03Å; S680-F685 PolarHBondContact OG-N 2.75Å; S680-F685 PolarHBondContact OG-O 3.07Å
681	P	98.1	Very high	98.1	Very high	54 Å²	54	28.8 Å²	28.8	35%	0.351	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.9	177.1	-29.8	34.6	0	0	0	114.8	G683 W725 S729 A764	P681-G683 VanDerWaalsContact C-N 3.31Å; P681-W725 HydrophobicContact CG-CB 4.34Å; P681-S729 VanDerWaalsContact CD-OG 3.32Å; P681-S729 WeakPolarHBondContact CD-OG 3.35Å; P681-A764 HydrophobicContact CG-CB 3.42Å; P681-A764 VanDerWaalsContact CG-CB 3.42Å
682	D	97.6	Very high	98.2	Very high	69 Å²	69	25.8 Å²	25.8	37%	0.369	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-6.3	176.6	72.8	-9.1	0	0	0	114.4	S680 N684 S729	S680-D682 VanDerWaalsContact CB-OD1 3.31Å; S680-D682 WeakPolarHBondContact CB-OD1 3.23Å; S680-D682 PolarHBondContact O-N 3.11Å; S680-D682 VanDerWaalsContact O-N 3.17Å; S680-D682 PolarHBondContact OG-OD1 3.35Å; D682-N684 PolarHBondContact O-N 2.82Å; D682-N684 PolarHBondContact OD1-N 3.1Å; D682-N684 PolarHBondContact OD2-ND2 2.76Å; D682-S729 PolarHBondContact N-OG 2.98Å; D682-S729 PolarHBondContact OD1-OG 2.67Å
683	G	97.6	Very high	98.2	Very high	5 Å²	5	23.9 Å²	23.9	5%	0.052	13%	0.127	C	C	.	.	S	Bend	trans	72.6	-0.4	-177.1	0	0	0	0	0	115.3	H638 S680 P681 F685 V700	H638-G683 WeakPolarHBondContact NE2-CA 3.31Å; H638-G683 PolarHBondContact NE2-O 3.48Å; S680-G683 PolarHBondContact O-N 3.37Å; P681-G683 VanDerWaalsContact C-N 3.31Å; G683-F685 VanDerWaalsContact C-N 3.34Å; G683-V700 WeakPolarHBondContact O-CB 3.12Å; G683-V700 WeakPolarHBondContact O-CG1 3.36Å
684	N	97.7	Very high	98.2	Very high	85 Å²	85	25.2 Å²	25.2	46%	0.455	13%	0.132	S	C	.	.	S	Bend	trans	-82.5	-10.2	-175.2	-65.5	-49.7	0	0	0	113.7	S680 D682 A699 V700	S680-N684 PolarHBondContact OG-N 3.04Å; D682-N684 PolarHBondContact O-N 2.82Å; D682-N684 PolarHBondContact OD1-N 3.1Å; D682-N684 PolarHBondContact OD2-ND2 2.76Å; N684-A699 WeakPolarHBondContact O-CA 3.43Å; N684-V700 PolarHBondContact O-N 3.28Å
685	F	98.3	Very high	98.2	Very high	34 Å²	34	25.3 Å²	25.3	15%	0.149	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	155.3	176.4	-59.9	-82.2	0	0	0	112.9	Y679 S680 G683 I697 Y698 A699 V710 W725	Y679-F685 CarbonylContact C-O 3.54Å; Y679-F685 VanDerWaalsContact CA-O 3.27Å; Y679-F685 WeakPolarHBondContact CA-O 3.3Å; S680-F685 PolarHBondContact N-O 3.03Å; S680-F685 PolarHBondContact OG-N 2.75Å; S680-F685 PolarHBondContact OG-O 3.07Å; G683-F685 VanDerWaalsContact C-N 3.34Å; F685-I697 HydrophobicContact CB-CG2 4.41Å; F685-I697 HydrophobicContact CD1-CG2 3.93Å; F685-I697 HydrophobicContact CG-CG2 4.5Å; F685-Y698 CarbonylContact C-O 3.55Å; F685-Y698 WeakPolarHBondContact CA-O 3.45Å; F685-A699 HydrophobicContact CD1-CB 4.36Å; F685-A699 HydrophobicContact CE1-CB 4.3Å; F685-V710 HydrophobicContact CD1-CG2 4.26Å; F685-V710 HydrophobicContact CE1-CG2 4.12Å; F685-W725 HydrophobicContact CB-CH2 3.34Å; F685-W725 HydrophobicContact CB-CZ2 3.86Å; F685-W725 HydrophobicContact CB-CZ3 4.12Å; F685-W725 HydrophobicContact CD2-CH2 4.41Å; F685-W725 HydrophobicContact CD2-CZ3 4.44Å; F685-W725 HydrophobicContact CG-CH2 4.03Å
686	L	98.6	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.9	168.4	172.3	61.8	0	0	0	108.4	A645 W653 V677 Y679 V688 Y698 V700 Y707	A645-L686 HydrophobicContact CB-CD1 4.42Å; A645-L686 HydrophobicContact CB-CD2 4.28Å; W653-L686 HydrophobicContact CE3-CD2 4.08Å; W653-L686 HydrophobicContact CH2-CD2 3.8Å; W653-L686 HydrophobicContact CZ3-CD2 3.5Å; V677-L686 HydrophobicContact CB-CD1 4.4Å; Y679-L686 HydrophobicContact CD1-CB 3.95Å; Y679-L686 HydrophobicContact CD1-CD1 4.17Å; Y679-L686 HydrophobicContact CD2-CD1 3.92Å; Y679-L686 HydrophobicContact CE1-CB 3.93Å; Y679-L686 HydrophobicContact CE1-CD1 4.15Å; Y679-L686 HydrophobicContact CE1-CD2 4.23Å; Y679-L686 HydrophobicContact CE1-CG 4.33Å; Y679-L686 HydrophobicContact CE2-CD1 3.89Å; Y679-L686 HydrophobicContact CG-CD1 4.07Å; L686-V688 HydrophobicContact CD2-CG2 4.18Å; L686-V688 HydrophobicContact CG-CG2 4Å; L686-Y698 PolarHBondContact N-O 3.09Å; L686-Y698 PolarHBondContact O-N 3.4Å; L686-V700 HydrophobicContact CB-CG2 3.7Å; L686-Y707 HydrophobicContact CB-CE1 4.37Å; L686-Y707 HydrophobicContact CD2-CD1 4.09Å; L686-Y707 HydrophobicContact CD2-CE1 3.72Å
687	A	98.6	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.9	169.5	0	0	0	0	0	110	V677 K678 V695 I697 L723 W725 L732	V677-A687 WeakPolarHBondContact CA-O 3.46Å; K678-A687 PolarHBondContact N-O 3.17Å; K678-A687 PolarHBondContact O-N 3.35Å; A687-V695 HydrophobicContact CB-CG1 4Å; A687-I697 HydrophobicContact CB-CD1 3.8Å; A687-L723 HydrophobicContact CB-CD1 3.94Å; A687-L723 HydrophobicContact CB-CD2 4.09Å; A687-W725 HydrophobicContact CB-CZ2 3.69Å; A687-L732 HydrophobicContact CB-CD2 3.6Å
688	V	98.6	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	102.3	178.6	-179.4	0	0	0	0	107.5	W653 I674 V677 L686 V695 Y696 Y698	W653-V688 HydrophobicContact CD2-CG2 4.15Å; W653-V688 HydrophobicContact CG-CG1 4.22Å; W653-V688 HydrophobicContact CG-CG2 4.42Å; W653-V688 HydrophobicContact CZ2-CG2 4.3Å; I674-V688 HydrophobicContact CD1-CG1 3.99Å; I674-V688 HydrophobicContact CG1-CG1 4.48Å; I674-V688 HydrophobicContact CG2-CG1 3.64Å; V677-V688 HydrophobicContact CG1-CB 4.49Å; V677-V688 HydrophobicContact CG1-CG1 4.17Å; V677-V688 HydrophobicContact CG1-CG2 4.25Å; L686-V688 HydrophobicContact CD2-CG2 4.18Å; L686-V688 HydrophobicContact CG-CG2 4Å; V688-V695 CarbonylContact O-C 3.5Å; V688-V695 WeakPolarHBondContact O-CA 3.22Å; V688-Y696 PolarHBondContact N-O 3.14Å; V688-Y696 PolarHBondContact O-N 2.77Å; V688-Y698 HydrophobicContact CG2-CD2 4.49Å
689	A	98.4	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.5	177.6	0	0	0	0	0	111.1	I674 S675 N676 V695 V720 L723	I674-A689 CarbonylContact C-O 3.57Å; I674-A689 WeakPolarHBondContact CA-O 3.32Å; S675-A689 PolarHBondContact N-O 3.03Å; S675-A689 PolarHBondContact OG-O 3.39Å; N676-A689 HydrophobicContact CB-CB 4.16Å; N676-A689 PolarHBondContact O-N 3.16Å; A689-V695 HydrophobicContact CB-CG1 4.46Å; A689-V695 HydrophobicContact CB-CG2 3.98Å; A689-V720 HydrophobicContact CB-CB 4.03Å; A689-V720 HydrophobicContact CB-CG1 3.72Å; A689-L723 HydrophobicContact CB-CD2 3.65Å
690	S	98.3	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.			trans	-134.2	155.3	-173	177.8	0	0	0	0	112.5	I673 D692 N693 F694 V720	I673-S690 CarbonylContact O-C 3.58Å; I673-S690 WeakPolarHBondContact O-CA 3.38Å; S690-D692 VanDerWaalsContact CB-OD1 3.23Å; S690-D692 WeakPolarHBondContact CB-OD1 3.4Å; S690-D692 PolarHBondContact O-N 2.81Å; S690-D692 VanDerWaalsContact OG-CG 3.3Å; S690-D692 PolarHBondContact OG-N 2.89Å; S690-D692 PolarHBondContact OG-OD1 3.28Å; S690-N693 PolarHBondContact O-N 2.59Å; S690-F694 PolarHBondContact N-O 2.92Å; S690-V720 PolarHBondContact O-N 3.44Å
691	H	98.4	Very high	97.9	Very high	47 Å²	47	25.5 Å²	25.5	22%	0.218	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-3.7	170.5	-77.7	-156.3	0	0	0	113.4	E672 I673 N693 F719	E672-H691 HydrophobicContact CB-CB 4.02Å; I673-H691 HydrophobicContact CB-CB 4.19Å; I673-H691 PolarHBondContact O-N 2.7Å; H691-N693 PolarHBondContact O-N 2.89Å; H691-N693 PolarHBondContact O-OD1 3.13Å; H691-F719 HydrophobicContact CB-CB 3.91Å
692	D	97.4	Very high	97.7	Very high	28 Å²	28	28.9 Å²	28.9	15%	0.15	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	12.5	168.4	74.7	1.5	0	0	0	114.4	E672 S690 F694 Y696	E672-D692 HydrophobicContact CB-CB 4.03Å; E672-D692 HydrophobicContact CG-CB 3.87Å; S690-D692 VanDerWaalsContact CB-OD1 3.23Å; S690-D692 WeakPolarHBondContact CB-OD1 3.4Å; S690-D692 PolarHBondContact O-N 2.81Å; S690-D692 VanDerWaalsContact OG-CG 3.3Å; S690-D692 PolarHBondContact OG-N 2.89Å; S690-D692 PolarHBondContact OG-OD1 3.28Å; D692-F694 VanDerWaalsContact C-N 3.3Å; D692-F694 HydrophobicContact CB-CD2 4.2Å; D692-F694 VanDerWaalsContact CG-CD2 3.47Å; D692-F694 WeakPolarHBondContact O-CD2 3.24Å; D692-F694 VanDerWaalsContact O-CE2 3.23Å; D692-F694 WeakPolarHBondContact O-CE2 3.06Å; D692-F694 PolarHBondContact O-N 3.25Å; D692-F694 WeakPolarHBondContact OD1-CB 3.48Å; D692-F694 VanDerWaalsContact OD1-CD2 3.31Å; D692-F694 WeakPolarHBondContact OD1-CD2 3.38Å; D692-F694 PolarHBondContact OD1-N 2.87Å; D692-Y696 WeakPolarHBondContact OD2-CE2 3.48Å; D692-Y696 PolarHBondContact OD2-OH 2.99Å
693	N	97.9	Very high	97.2	Very high	47 Å²	47	29.2 Å²	29.2	25%	0.251	16%	0.159	S	C	.	.	S	Bend	trans	70.5	9.8	-176.3	-52.9	1.7	0	0	0	115.4	S690 H691 S717 S718 F719	S690-N693 PolarHBondContact O-N 2.59Å; H691-N693 PolarHBondContact O-N 2.89Å; H691-N693 PolarHBondContact O-OD1 3.13Å; N693-S717 VanDerWaalsContact ND2-C 3.29Å; N693-S717 PolarHBondContact ND2-O 3.39Å; N693-S717 VanDerWaalsContact ND2-O 3.14Å; N693-S718 WeakPolarHBondContact CB-O 3.29Å; N693-S718 PolarHBondContact ND2-N 3.14Å; N693-S718 WeakPolarHBondContact OD1-CA 3.28Å; N693-S718 PolarHBondContact OD1-O 2.82Å; N693-F719 PolarHBondContact OD1-N 3.16Å; N693-F719 VanDerWaalsContact OD1-N 3.09Å
694	F	97.8	Very high	96.9	Very high	63 Å²	63	29 Å²	29	28%	0.276	16%	0.157	S	C	.	.			trans	-115.5	159.5	-177.2	-53.6	-64.3	0	0	0	113.5	S690 D692 Y696 K712 C713 T714	S690-F694 PolarHBondContact N-O 2.92Å; D692-F694 VanDerWaalsContact C-N 3.3Å; D692-F694 HydrophobicContact CB-CD2 4.2Å; D692-F694 VanDerWaalsContact CG-CD2 3.47Å; D692-F694 WeakPolarHBondContact O-CD2 3.24Å; D692-F694 VanDerWaalsContact O-CE2 3.23Å; D692-F694 WeakPolarHBondContact O-CE2 3.06Å; D692-F694 PolarHBondContact O-N 3.25Å; D692-F694 WeakPolarHBondContact OD1-CB 3.48Å; D692-F694 VanDerWaalsContact OD1-CD2 3.31Å; D692-F694 WeakPolarHBondContact OD1-CD2 3.38Å; D692-F694 PolarHBondContact OD1-N 2.87Å; F694-Y696 HydrophobicContact CB-CE2 3.89Å; F694-K712 VanDerWaalsContact CB-CE 3.47Å; F694-K712 HydrophobicContact CB-CG 4.4Å; F694-K712 HydrophobicContact CG-CD 4.45Å; F694-C713 WeakPolarHBondContact CD1-O 3.49Å; F694-T714 HydrophobicContact CD1-CG2 3.8Å; F694-T714 HydrophobicContact CE1-CG2 3.76Å
695	V	98.4	Very high	96.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	163.9	-172.4	0	0	0	0	108.7	A687 V688 A689 I697 K712 C713 V720 T734	A687-V695 HydrophobicContact CB-CG1 4Å; V688-V695 CarbonylContact O-C 3.5Å; V688-V695 WeakPolarHBondContact O-CA 3.22Å; A689-V695 HydrophobicContact CB-CG1 4.46Å; A689-V695 HydrophobicContact CB-CG2 3.98Å; V695-I697 HydrophobicContact CG1-CD1 3.97Å; V695-K712 CarbonylContact O-C 3.59Å; V695-K712 WeakPolarHBondContact O-CA 3.32Å; V695-C713 HydrophobicContact CB-CB 3.92Å; V695-C713 PolarHBondContact O-N 3.25Å; V695-V720 HydrophobicContact CG2-CB 4.43Å; V695-V720 HydrophobicContact CG2-CG1 3.95Å; V695-V720 HydrophobicContact CG2-CG2 4Å; V695-T734 HydrophobicContact CG2-CG2 4Å
696	Y	98.2	Very high	96.5	Very high	10 Å²	10	33 Å²	33	4%	0.039	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.1	179.5	-59.7	-91.2	0	0	0	108.9	D669 V688 D692 F694 K712	D669-Y696 HydrophobicContact CB-CD1 3.95Å; D669-Y696 HydrophobicContact CB-CD2 3.68Å; D669-Y696 HydrophobicContact CB-CE1 4.01Å; D669-Y696 HydrophobicContact CB-CE2 3.78Å; D669-Y696 HydrophobicContact CB-CG 3.77Å; D669-Y696 WeakPolarHBondContact OD1-CD1 3.26Å; V688-Y696 PolarHBondContact N-O 3.14Å; V688-Y696 PolarHBondContact O-N 2.77Å; D692-Y696 WeakPolarHBondContact OD2-CE2 3.48Å; D692-Y696 PolarHBondContact OD2-OH 2.99Å; F694-Y696 HydrophobicContact CB-CE2 3.89Å; Y696-K712 HydrophobicContact CD1-CD 4.13Å; Y696-K712 HydrophobicContact CD1-CG 4.14Å; Y696-K712 HydrophobicContact CE1-CD 3.62Å; Y696-K712 HydrophobicContact CE1-CG 4.09Å; Y696-K712 PolarHBondContact OH-NZ 3.16Å
697	I	98.2	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.5	179.9	-48.7	-61	0	0	0	109.2	F685 A687 V695 V710 G711 L732	F685-I697 HydrophobicContact CB-CG2 4.41Å; F685-I697 HydrophobicContact CD1-CG2 3.93Å; F685-I697 HydrophobicContact CG-CG2 4.5Å; A687-I697 HydrophobicContact CB-CD1 3.8Å; V695-I697 HydrophobicContact CG1-CD1 3.97Å; I697-V710 HydrophobicContact CB-CG2 4.35Å; I697-V710 HydrophobicContact CG2-CG2 3.97Å; I697-V710 WeakPolarHBondContact O-CG2 3.3Å; I697-V710 PolarHBondContact O-N 2.64Å; I697-G711 PolarHBondContact N-O 3.33Å; I697-G711 PolarHBondContact O-N 3.31Å; I697-G711 VanDerWaalsContact O-N 3.08Å; I697-L732 HydrophobicContact CD1-CD1 4.11Å; I697-L732 HydrophobicContact CD1-CD2 4.17Å
698	Y	98.2	Very high	96.3	Very high	12 Å²	12	37 Å²	37	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	173.9	-77.1	-101.9	0	0	0	109.4	W653 H667 D669 F685 L686 V688 S708 R709	W653-Y698 HydrophobicContact CH2-CD1 4.29Å; W653-Y698 HydrophobicContact CH2-CD2 4.39Å; W653-Y698 HydrophobicContact CH2-CE1 4.43Å; W653-Y698 HydrophobicContact CH2-CG 4.28Å; W653-Y698 HydrophobicContact CZ2-CD1 4.05Å; W653-Y698 AromaticContact CZ2-CD2 3.74Å; W653-Y698 HydrophobicContact CZ2-CD2 3.74Å; W653-Y698 AromaticContact CZ2-CE1 3.84Å; W653-Y698 HydrophobicContact CZ2-CE1 3.84Å; W653-Y698 AromaticContact CZ2-CE2 3.51Å; W653-Y698 HydrophobicContact CZ2-CE2 3.51Å; W653-Y698 HydrophobicContact CZ2-CG 4.01Å; W653-Y698 AromaticContact CZ2-CZ 3.57Å; H667-Y698 AromaticContact ND1-CE1 3.88Å; D669-Y698 VanDerWaalsContact CG-OH 3.3Å; D669-Y698 PolarHBondContact OD1-OH 3.24Å; D669-Y698 VanDerWaalsContact OD2-CE2 3.29Å; D669-Y698 WeakPolarHBondContact OD2-CE2 3.35Å; D669-Y698 PolarHBondContact OD2-OH 2.88Å; F685-Y698 CarbonylContact C-O 3.55Å; F685-Y698 WeakPolarHBondContact CA-O 3.45Å; L686-Y698 PolarHBondContact N-O 3.09Å; L686-Y698 PolarHBondContact O-N 3.4Å; V688-Y698 HydrophobicContact CG2-CD2 4.49Å; Y698-S708 CarbonylContact C-O 3.45Å; Y698-S708 VanDerWaalsContact CA-O 3.24Å; Y698-S708 WeakPolarHBondContact CA-O 3.38Å; Y698-S708 VanDerWaalsContact CD1-C 3.45Å; Y698-R709 HydrophobicContact CD1-CB 3.95Å; Y698-R709 VanDerWaalsContact CD1-N 3.35Å; Y698-R709 HydrophobicContact CD2-CG 4.22Å; Y698-R709 HydrophobicContact CE1-CB 3.56Å; Y698-R709 HydrophobicContact CE1-CG 4.15Å; Y698-R709 HydrophobicContact CE2-CB 4.19Å; Y698-R709 HydrophobicContact CE2-CG 3.82Å; Y698-R709 HydrophobicContact CG-CB 4.41Å
699	A	97.4	Very high	96.2	Very high	23 Å²	23	44 Å²	44	19%	0.19	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.4	160.6	0	0	0	0	0	108.7	N684 F685 S708 V710	N684-A699 WeakPolarHBondContact O-CA 3.43Å; F685-A699 HydrophobicContact CD1-CB 4.36Å; F685-A699 HydrophobicContact CE1-CB 4.3Å; A699-S708 PolarHBondContact N-O 3.43Å; A699-S708 PolarHBondContact O-N 2.85Å; A699-V710 HydrophobicContact CB-CG1 3.55Å; A699-V710 HydrophobicContact CB-CG2 4.21Å
700	V	97.8	Very high	96.1	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.1	-173.9	-179.2	0	0	0	0	107.9	Y679 G683 N684 L686 K706 Y707	Y679-V700 HydrophobicContact CD1-CG2 4.22Å; Y679-V700 HydrophobicContact CE1-CG1 4.2Å; Y679-V700 HydrophobicContact CE1-CG2 4.06Å; G683-V700 WeakPolarHBondContact O-CB 3.12Å; G683-V700 WeakPolarHBondContact O-CG1 3.36Å; N684-V700 PolarHBondContact O-N 3.28Å; L686-V700 HydrophobicContact CB-CG2 3.7Å; V700-K706 WeakPolarHBondContact CA-O 3.34Å; V700-Y707 HydrophobicContact CB-CE1 4.48Å; V700-Y707 HydrophobicContact CG1-CE1 4.1Å; V700-Y707 HydrophobicContact CG2-CD1 3.83Å; V700-Y707 HydrophobicContact CG2-CE1 3.66Å
701	S	95.2	Very high	95.8	Very high	49 Å²	49	47.4 Å²	47.4	34%	0.343	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	170.7	-179.9	53.9	0	0	0	0	110.5	S703 G704 K705 K706	S701-S703 VanDerWaalsContact C-N 3.27Å; S701-S703 PolarHBondContact O-N 3.19Å; S701-G704 PolarHBondContact O-N 2.72Å; S701-K705 PolarHBondContact O-N 3.02Å; S701-K706 PolarHBondContact N-O 3.18Å; S701-K706 PolarHBondContact O-N 3.15Å; S701-K706 VanDerWaalsContact O-N 3.16Å; S701-K706 PolarHBondContact OG-O 1.98Å
702	E	92.3	Very high	95.7	Very high	125 Å²	125	48.7 Å²	48.7	58%	0.584	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	41.1	179.8	-58.8	170.6	-151.9	0	0	111.6	G704 K705 K706	E702-G704 PolarHBondContact O-N 2.96Å; E702-K705 HydrophobicContact CB-CB 4.28Å; E702-K705 WeakPolarHBondContact O-CB 3.47Å; E702-K705 WeakPolarHBondContact O-CG 3.37Å; E702-K705 PolarHBondContact O-N 2.86Å; E702-K706 HydrophobicContact CB-CB 4.47Å; E702-K706 HydrophobicContact CG-CD 4.45Å; E702-K706 WeakPolarHBondContact OE1-CD 3.29Å; E702-K706 IonicContact OE1-NZ 2.82Å; E702-K706 PolarHBondContact OE1-NZ 3.06Å
703	S	88.6	Confident	95.7	Very high	76 Å²	76	47.4 Å²	47.4	53%	0.531	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	50.8	-178.2	-56.1	0	0	0	0	114	S701	S701-S703 VanDerWaalsContact C-N 3.27Å; S701-S703 PolarHBondContact O-N 3.19Å
704	G	89.8	Confident	95.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	16.5	-179	0	0	0	0	0	114.5	S701 E702 Y707	S701-G704 PolarHBondContact O-N 2.72Å; E702-G704 PolarHBondContact O-N 2.96Å; G704-Y707 WeakPolarHBondContact CA-OH 3.21Å; G704-Y707 WeakPolarHBondContact O-CE2 3.32Å; G704-Y707 PolarHBondContact O-OH 3.11Å
705	K	91.8	Very high	95.5	Very high	96 Å²	96	48.3 Å²	48.3	42%	0.417	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-6.7	178.4	-59.2	-163.3	175.3	-152.5	0	114.4	V643 D657 V664 S701 E702	V643-K705 HydrophobicContact CG1-CG 4.36Å; D657-K705 IonicContact OD2-NZ 2.69Å; D657-K705 PolarHBondContact OD2-NZ 2.81Å; V664-K705 HydrophobicContact CG1-CB 4.21Å; V664-K705 HydrophobicContact CG1-CG 4.31Å; S701-K705 PolarHBondContact O-N 3.02Å; E702-K705 HydrophobicContact CB-CB 4.28Å; E702-K705 WeakPolarHBondContact O-CB 3.47Å; E702-K705 WeakPolarHBondContact O-CG 3.37Å; E702-K705 PolarHBondContact O-N 2.86Å
706	K	96.2	Very high	95.5	Very high	108 Å²	108	48.9 Å²	48.9	47%	0.47	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	131.9	-176.9	-176.9	178.2	-174.8	-178.3	0	113.1	V700 S701 E702	V700-K706 WeakPolarHBondContact CA-O 3.34Å; S701-K706 PolarHBondContact N-O 3.18Å; S701-K706 PolarHBondContact O-N 3.15Å; S701-K706 VanDerWaalsContact O-N 3.16Å; S701-K706 PolarHBondContact OG-O 1.98Å; E702-K706 HydrophobicContact CB-CB 4.47Å; E702-K706 HydrophobicContact CG-CD 4.45Å; E702-K706 WeakPolarHBondContact OE1-CD 3.29Å; E702-K706 IonicContact OE1-NZ 2.82Å; E702-K706 PolarHBondContact OE1-NZ 3.06Å
707	Y	98	Very high	95.4	Very high	23 Å²	23	51.3 Å²	51.3	9%	0.09	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.7	-169.9	-63.4	-95.1	0	0	0	111.1	W653 V655 S665 Y679 L686 V700 G704	W653-Y707 AromaticContact CH2-CD1 3.81Å; W653-Y707 HydrophobicContact CH2-CD1 3.81Å; W653-Y707 HydrophobicContact CH2-CE1 4.44Å; W653-Y707 HydrophobicContact CH2-CG 4.12Å; W653-Y707 HydrophobicContact CZ3-CD1 4.16Å; W653-Y707 HydrophobicContact CZ3-CE1 4.36Å; V655-Y707 HydrophobicContact CB-CE2 4.31Å; V655-Y707 HydrophobicContact CG1-CE2 4.29Å; V655-Y707 HydrophobicContact CG2-CE1 4.22Å; V655-Y707 HydrophobicContact CG2-CE2 3.86Å; S665-Y707 WeakPolarHBondContact OG-CD2 3.28Å; Y679-Y707 AromaticContact CE1-CE1 3.9Å; Y679-Y707 HydrophobicContact CE1-CE1 3.9Å; Y679-Y707 PolarHBondContact OH-OH 2.83Å; L686-Y707 HydrophobicContact CB-CE1 4.37Å; L686-Y707 HydrophobicContact CD2-CD1 4.09Å; L686-Y707 HydrophobicContact CD2-CE1 3.72Å; V700-Y707 HydrophobicContact CB-CE1 4.48Å; V700-Y707 HydrophobicContact CG1-CE1 4.1Å; V700-Y707 HydrophobicContact CG2-CD1 3.83Å; V700-Y707 HydrophobicContact CG2-CE1 3.66Å; G704-Y707 WeakPolarHBondContact CA-OH 3.21Å; G704-Y707 WeakPolarHBondContact O-CE2 3.32Å; G704-Y707 PolarHBondContact O-OH 3.11Å
708	S	96.4	Very high	95.3	Very high	61 Å²	61	52.4 Å²	52.4	43%	0.427	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.8	172.9	60.8	0	0	0	0	110.7	Y698 A699 V710	Y698-S708 CarbonylContact C-O 3.45Å; Y698-S708 VanDerWaalsContact CA-O 3.24Å; Y698-S708 WeakPolarHBondContact CA-O 3.38Å; Y698-S708 VanDerWaalsContact CD1-C 3.45Å; A699-S708 PolarHBondContact N-O 3.43Å; A699-S708 PolarHBondContact O-N 2.85Å; S708-V710 PolarHBondContact O-N 2.92Å
709	R	95.8	Very high	95.3	Very high	146 Å²	146	55.7 Å²	55.7	55%	0.551	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.1	-177.6	-160	171.2	63.3	-164.9	-3.3	110	D669 Y698	D669-R709 WeakPolarHBondContact OD1-CD 3.46Å; D669-R709 IonicContact OD1-CZ 3.67Å; D669-R709 IonicContact OD1-NH1 3.22Å; D669-R709 PolarHBondContact OD1-NH1 3.46Å; Y698-R709 HydrophobicContact CD1-CB 3.95Å; Y698-R709 VanDerWaalsContact CD1-N 3.35Å; Y698-R709 HydrophobicContact CD2-CG 4.22Å; Y698-R709 HydrophobicContact CE1-CB 3.56Å; Y698-R709 HydrophobicContact CE1-CG 4.15Å; Y698-R709 HydrophobicContact CE2-CB 4.19Å; Y698-R709 HydrophobicContact CE2-CG 3.82Å; Y698-R709 HydrophobicContact CG-CB 4.41Å
710	V	95.5	Very high	95.3	Very high	66 Å²	66	54.6 Å²	54.6	40%	0.4	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-28.2	-177.4	-67	0	0	0	0	113.3	F685 I697 A699 S708	F685-V710 HydrophobicContact CD1-CG2 4.26Å; F685-V710 HydrophobicContact CE1-CG2 4.12Å; I697-V710 HydrophobicContact CB-CG2 4.35Å; I697-V710 HydrophobicContact CG2-CG2 3.97Å; I697-V710 WeakPolarHBondContact O-CG2 3.3Å; I697-V710 PolarHBondContact O-N 2.64Å; A699-V710 HydrophobicContact CB-CG1 3.55Å; A699-V710 HydrophobicContact CB-CG2 4.21Å; S708-V710 PolarHBondContact O-N 2.92Å
711	G	93.3	Very high	95.3	Very high	7 Å²	7	56 Å²	56	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.6	-175.6	0	0	0	0	0	113.5	I697	I697-G711 PolarHBondContact N-O 3.33Å; I697-G711 PolarHBondContact O-N 3.31Å; I697-G711 VanDerWaalsContact O-N 3.08Å
712	K	95.9	Very high	95.5	Very high	74 Å²	74	54.7 Å²	54.7	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	113.7	167.2	-179.4	175.1	177	156.2	0	108.7	F694 V695 Y696 T714	F694-K712 VanDerWaalsContact CB-CE 3.47Å; F694-K712 HydrophobicContact CB-CG 4.4Å; F694-K712 HydrophobicContact CG-CD 4.45Å; V695-K712 CarbonylContact O-C 3.59Å; V695-K712 WeakPolarHBondContact O-CA 3.32Å; Y696-K712 HydrophobicContact CD1-CD 4.13Å; Y696-K712 HydrophobicContact CD1-CG 4.14Å; Y696-K712 HydrophobicContact CE1-CD 3.62Å; Y696-K712 HydrophobicContact CE1-CG 4.09Å; Y696-K712 PolarHBondContact OH-NZ 3.16Å; K712-T714 HydrophobicContact CD-CG2 4.29Å; K712-T714 HydrophobicContact CG-CG2 4.02Å; K712-T714 PolarHBondContact O-N 2.89Å
713	C	97.6	Very high	95.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.4	175.2	-57.4	0	0	0	0	109.2	F694 V695 W744 G749	F694-C713 WeakPolarHBondContact CD1-O 3.49Å; V695-C713 HydrophobicContact CB-CB 3.92Å; V695-C713 PolarHBondContact O-N 3.25Å; C713-W744 HydrophobicContact CB-CD2 3.56Å; C713-W744 HydrophobicContact CB-CE3 3.46Å; C713-W744 VanDerWaalsContact CB-CE3 3.46Å; C713-W744 HydrophobicContact CB-CG 4.18Å; C713-W744 HydrophobicContact CB-CH2 4.03Å; C713-W744 HydrophobicContact CB-CZ2 4.1Å; C713-W744 HydrophobicContact CB-CZ3 3.71Å; C713-G749 WeakPolarHBondContact CA-O 3.32Å
714	T	96	Very high	96.2	Very high	84 Å²	84	45.3 Å²	45.3	52%	0.515	24%	0.242	S	C	.	.			trans	-126.6	120.6	179.5	63.3	0	0	0	0	110.3	F694 K712	F694-T714 HydrophobicContact CD1-CG2 3.8Å; F694-T714 HydrophobicContact CE1-CG2 3.76Å; K712-T714 HydrophobicContact CD-CG2 4.29Å; K712-T714 HydrophobicContact CG-CG2 4.02Å; K712-T714 PolarHBondContact O-N 2.89Å
715	G	95.5	Very high	96.7	Very high	45 Å²	45	45.5 Å²	45.5	46%	0.464	24%	0.243	S	C	.	.			trans	168.6	-25.6	177.5	0	0	0	0	0	115.2
716	H	97.4	Very high	97	Very high	14 Å²	14	41 Å²	41	7%	0.065	22%	0.223	C	C	.	.			trans	-64.2	140.7	176.3	-86.1	-55	0	0	0	113	T734 S736 E740 L742	H716-T734 PolarHBondContact NE2-O 3.09Å; H716-S736 WeakPolarHBondContact CE1-CB 3.46Å; H716-S736 PolarHBondContact CE1-OG 2.82Å; H716-S736 VanDerWaalsContact ND1-CB 3.35Å; H716-S736 WeakPolarHBondContact ND1-CB 3.41Å; H716-S736 PolarHBondContact ND1-OG 2.86Å; H716-E740 WeakPolarHBondContact CA-OE2 3.26Å; H716-E740 WeakPolarHBondContact CE1-CB 3.36Å; H716-E740 VanDerWaalsContact CE1-CG 3.5Å; H716-E740 WeakPolarHBondContact CE1-CG 3.5Å; H716-E740 IonicContact CE1-OE1 2.7Å; H716-E740 IonicContact CE1-OE2 3.49Å; H716-E740 PolarHBondContact CE1-OE2 3.22Å; H716-E740 IonicContact CG-OE2 2.77Å; H716-E740 IonicContact ND1-OE2 3.22Å; H716-E740 PolarHBondContact ND1-OE2 2.68Å; H716-E740 VanDerWaalsContact NE2-CB 3.35Å; H716-E740 WeakPolarHBondContact NE2-CB 3.35Å; H716-E740 PolarHBondContact NE2-O 3.37Å; H716-L742 HydrophobicContact CB-CD1 4.34Å; H716-L742 WeakPolarHBondContact ND1-CD1 3.4Å; H716-L742 WeakPolarHBondContact NE2-CG 3.48Å
717	S	96.3	Very high	97.1	Very high	61 Å²	61	38 Å²	38	43%	0.427	22%	0.219	S	C	.	.	S	Bend	trans	-82.4	-17.4	177.5	-58.7	0	0	0	0	113.3	N693 D738 E740	N693-S717 VanDerWaalsContact ND2-C 3.29Å; N693-S717 PolarHBondContact ND2-O 3.39Å; N693-S717 VanDerWaalsContact ND2-O 3.14Å; S717-D738 VanDerWaalsContact CB-OD2 3.27Å; S717-D738 WeakPolarHBondContact CB-OD2 3.24Å; S717-E740 VanDerWaalsContact CB-OE1 3.24Å; S717-E740 WeakPolarHBondContact CB-OE1 3.47Å; S717-E740 PolarHBondContact N-OE2 3.46Å; S717-E740 PolarHBondContact OG-OE1 3.43Å
718	S	96.8	Very high	97	Very high	22 Å²	22	40.7 Å²	40.7	15%	0.154	24%	0.235	C	C	.	.	S	Bend	trans	-145.1	176.1	-174.4	-165.9	0	0	0	0	111.5	N693	N693-S718 WeakPolarHBondContact CB-O 3.29Å; N693-S718 PolarHBondContact ND2-N 3.14Å; N693-S718 WeakPolarHBondContact OD1-CA 3.28Å; N693-S718 PolarHBondContact OD1-O 2.82Å
719	F	97.3	Very high	97.1	Very high	81 Å²	81	37.9 Å²	37.9	36%	0.355	22%	0.215	S	C	.	.			trans	-56.5	140.3	-177.9	54.3	-91.2	0	0	0	111.9	H691 N693 T721 S736 G737	H691-F719 HydrophobicContact CB-CB 3.91Å; N693-F719 PolarHBondContact OD1-N 3.16Å; N693-F719 VanDerWaalsContact OD1-N 3.09Å; F719-T721 HydrophobicContact CD2-CG2 3.71Å; F719-T721 HydrophobicContact CE2-CG2 3.61Å; F719-S736 CarbonylContact O-C 3.6Å; F719-S736 WeakPolarHBondContact O-CA 3.15Å; F719-S736 VanDerWaalsContact O-CB 3.31Å; F719-S736 WeakPolarHBondContact O-CB 3.39Å; F719-G737 PolarHBondContact O-N 3.21Å
720	V	98.4	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.7	179.7	-172.6	0	0	0	0	109.3	S675 A689 S690 V695 T734 N735	S675-V720 VanDerWaalsContact CB-O 3.31Å; S675-V720 WeakPolarHBondContact CB-O 3.47Å; S675-V720 PolarHBondContact OG-O 3.19Å; A689-V720 HydrophobicContact CB-CB 4.03Å; A689-V720 HydrophobicContact CB-CG1 3.72Å; S690-V720 PolarHBondContact O-N 3.44Å; V695-V720 HydrophobicContact CG2-CB 4.43Å; V695-V720 HydrophobicContact CG2-CG1 3.95Å; V695-V720 HydrophobicContact CG2-CG2 4Å; V720-T734 HydrophobicContact CG1-CG2 4.5Å; V720-N735 WeakPolarHBondContact CA-O 3.44Å; V720-N735 WeakPolarHBondContact CG1-O 3.48Å
721	T	97.7	Very high	97.3	Very high	38 Å²	38	34.4 Å²	34.4	23%	0.233	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-43.7	-175.6	52.6	0	0	0	0	113.2	F719 N735	F719-T721 HydrophobicContact CD2-CG2 3.71Å; F719-T721 HydrophobicContact CE2-CG2 3.61Å; T721-N735 PolarHBondContact N-O 3.19Å; T721-N735 PolarHBondContact OG1-O 3.49Å
722	H	98.5	Very high	97.5	Very high	21 Å²	21	34.1 Å²	34.1	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.1	-176.6	-50.5	-72.5	0	0	0	111.3	T734 N735 T767 C768 T769 N788	H722-T734 VanDerWaalsContact O-CA 3.3Å; H722-T734 WeakPolarHBondContact O-CA 3.5Å; H722-N735 HydrophobicContact CB-CB 4.17Å; H722-N735 PolarHBondContact O-N 3.29Å; H722-T767 PolarHBondContact ND1-O 2.86Å; H722-C768 HydrophobicContact CB-CB 4.39Å; H722-T769 PolarHBondContact CD2-OG1 2.82Å; H722-T769 VanDerWaalsContact CD2-OG1 3.22Å; H722-T769 WeakPolarHBondContact NE2-CG2 3.29Å; H722-T769 PolarHBondContact NE2-OG1 2.7Å; H722-N788 PolarHBondContact CE1-O 2.89Å; H722-N788 VanDerWaalsContact CE1-O 3.3Å
723	L	98.3	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.8	169.3	76.5	95.3	0	0	0	112	N676 K678 A687 A689 L732 V733 T734 T767	N676-L723 HydrophobicContact CB-CD2 4.02Å; K678-L723 HydrophobicContact CB-CD1 3.65Å; K678-L723 HydrophobicContact CB-CG 4.39Å; K678-L723 HydrophobicContact CD-CD1 3.96Å; K678-L723 HydrophobicContact CG-CD1 4.45Å; K678-L723 PolarHBondContact NZ-O 3.35Å; A687-L723 HydrophobicContact CB-CD1 3.94Å; A687-L723 HydrophobicContact CB-CD2 4.09Å; A689-L723 HydrophobicContact CB-CD2 3.65Å; L723-L732 HydrophobicContact CD1-CD2 4.12Å; L723-V733 VanDerWaalsContact CA-O 3.29Å; L723-V733 WeakPolarHBondContact CA-O 3.44Å; L723-T734 HydrophobicContact CB-CG2 3.86Å; L723-T767 PolarHBondContact O-OG1 3.23Å
724	D	98.6	Very high	97.7	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.3	170.1	-69.6	-52	0	0	0	110.6	K678 L732 V733 W763 T765 S766 T767 C768	K678-D724 IonicContact NZ-OD1 2.75Å; K678-D724 PolarHBondContact NZ-OD1 3.44Å; D724-L732 CarbonylContact O-C 3.6Å; D724-L732 VanDerWaalsContact O-CA 3.3Å; D724-L732 WeakPolarHBondContact O-CA 3.31Å; D724-V733 HydrophobicContact CB-CG1 3.83Å; D724-V733 PolarHBondContact N-O 3.3Å; D724-V733 PolarHBondContact O-N 2.88Å; D724-W763 HydrophobicContact CB-CE3 4.43Å; D724-T765 WeakPolarHBondContact OD1-CB 3.18Å; D724-T765 PolarHBondContact OD1-OG1 3.17Å; D724-S766 WeakPolarHBondContact OD2-CA 3.49Å; D724-T767 VanDerWaalsContact CG-N 3.28Å; D724-T767 WeakPolarHBondContact OD1-CB 3.32Å; D724-T767 PolarHBondContact OD1-N 2.77Å; D724-T767 PolarHBondContact OD1-OG1 2.78Å; D724-T767 PolarHBondContact OD2-N 3.16Å; D724-C768 WeakPolarHBondContact OD2-CB 3.45Å; D724-C768 PolarHBondContact OD2-N 3.09Å
725	W	98.6	Very high	97.8	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.011	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.7	173	-73.5	95.4	0	0	0	110.7	K678 Y679 P681 F685 A687 L732 A746 A764	K678-W725 PolarHBondContact O-NE1 3.37Å; Y679-W725 PolarHBondContact O-NE1 3.07Å; P681-W725 HydrophobicContact CG-CB 4.34Å; F685-W725 HydrophobicContact CB-CH2 3.34Å; F685-W725 HydrophobicContact CB-CZ2 3.86Å; F685-W725 HydrophobicContact CB-CZ3 4.12Å; F685-W725 HydrophobicContact CD2-CH2 4.41Å; F685-W725 HydrophobicContact CD2-CZ3 4.44Å; F685-W725 HydrophobicContact CG-CH2 4.03Å; A687-W725 HydrophobicContact CB-CZ2 3.69Å; W725-L732 HydrophobicContact CD2-CD2 3.84Å; W725-L732 HydrophobicContact CD2-CG 3.92Å; W725-L732 HydrophobicContact CE3-CD1 4.16Å; W725-L732 HydrophobicContact CE3-CD2 4.19Å; W725-L732 HydrophobicContact CE3-CG 3.84Å; W725-L732 HydrophobicContact CG-CD2 4.44Å; W725-L732 HydrophobicContact CH2-CD1 3.95Å; W725-L732 HydrophobicContact CH2-CD2 4.06Å; W725-L732 HydrophobicContact CH2-CG 4.2Å; W725-L732 HydrophobicContact CZ2-CD1 4.45Å; W725-L732 HydrophobicContact CZ2-CD2 3.72Å; W725-L732 HydrophobicContact CZ2-CG 4.31Å; W725-L732 HydrophobicContact CZ3-CD1 3.84Å; W725-L732 HydrophobicContact CZ3-CD2 4.32Å; W725-L732 HydrophobicContact CZ3-CG 4.01Å; W725-A746 HydrophobicContact CE3-CB 4.38Å; W725-A746 HydrophobicContact CH2-CB 4.03Å; W725-A746 HydrophobicContact CZ3-CB 3.42Å; W725-A746 VanDerWaalsContact CZ3-CB 3.42Å; W725-A764 WeakPolarHBondContact O-CB 3.36Å; W725-A764 PolarHBondContact O-N 3.37Å
726	S	98.4	Very high	97.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-67.3	152.8	165.5	58.9	0	0	0	0	110.8	D728 S729 Q730 Y731 E762	S726-D728 VanDerWaalsContact CB-OD1 3.26Å; S726-D728 WeakPolarHBondContact CB-OD1 3.47Å; S726-D728 PolarHBondContact O-N 2.75Å; S726-D728 PolarHBondContact OG-OD1 3.12Å; S726-S729 PolarHBondContact O-N 3.29Å; S726-Q730 PolarHBondContact OG-N 2.73Å; S726-Y731 PolarHBondContact N-O 2.75Å; S726-Y731 PolarHBondContact OG-N 2.99Å; S726-Y731 PolarHBondContact OG-O 3.05Å; S726-E762 WeakPolarHBondContact CA-O 3.26Å
727	A	97.8	Very high	97.8	Very high	46 Å²	46	25.1 Å²	25.1	38%	0.38	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30	-178.7	0	0	0	0	0	113.1	S729 E762	A727-S729 VanDerWaalsContact C-N 3.28Å; A727-S729 PolarHBondContact O-N 2.73Å; A727-E762 HydrophobicContact CB-CB 4.28Å; A727-E762 HydrophobicContact CB-CG 4.22Å; A727-E762 PolarHBondContact N-O 2.83Å
728	D	97.5	Very high	97.6	Very high	79 Å²	79	23.7 Å²	23.7	42%	0.422	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.5	175	68.1	-0	0	0	0	114.3	S726 Q730	S726-D728 VanDerWaalsContact CB-OD1 3.26Å; S726-D728 WeakPolarHBondContact CB-OD1 3.47Å; S726-D728 PolarHBondContact O-N 2.75Å; S726-D728 PolarHBondContact OG-OD1 3.12Å; D728-Q730 HydrophobicContact CB-CG 4.24Å; D728-Q730 PolarHBondContact O-N 3.43Å; D728-Q730 VanDerWaalsContact O-N 3.11Å; D728-Q730 PolarHBondContact O-NE2 3.15Å; D728-Q730 PolarHBondContact OD1-N 2.88Å
729	S	98.2	Very high	97.6	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.014	13%	0.129	C	C	.	.	S	Bend	trans	60.4	9.7	-176.6	-52.9	0	0	0	0	115.7	P681 D682 S726 A727 A746	P681-S729 VanDerWaalsContact CD-OG 3.32Å; P681-S729 WeakPolarHBondContact CD-OG 3.35Å; D682-S729 PolarHBondContact N-OG 2.98Å; D682-S729 PolarHBondContact OD1-OG 2.67Å; S726-S729 PolarHBondContact O-N 3.29Å; A727-S729 VanDerWaalsContact C-N 3.28Å; A727-S729 PolarHBondContact O-N 2.73Å; S729-A746 WeakPolarHBondContact O-CB 2.97Å
730	Q	97.3	Very high	97.4	Very high	90 Å²	90	22.6 Å²	22.6	42%	0.421	12%	0.123	S	C	.	.	S	Bend	trans	-87	-22.3	-175.6	-59	-47.3	-67.4	0	0	114.2	S726 D728 A746	S726-Q730 PolarHBondContact OG-N 2.73Å; D728-Q730 HydrophobicContact CB-CG 4.24Å; D728-Q730 PolarHBondContact O-N 3.43Å; D728-Q730 VanDerWaalsContact O-N 3.11Å; D728-Q730 PolarHBondContact O-NE2 3.15Å; D728-Q730 PolarHBondContact OD1-N 2.88Å; Q730-A746 VanDerWaalsContact O-CB 3.29Å; Q730-A746 WeakPolarHBondContact O-CB 3.39Å; Q730-A746 PolarHBondContact O-N 3.14Å
731	Y	98.1	Very high	97.4	Very high	50 Å²	50	24.2 Å²	24.2	20%	0.196	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.4	-173.5	-61.4	-79.5	0	0	0	112.8	S726 W744 V752 T757 L761	S726-Y731 PolarHBondContact N-O 2.75Å; S726-Y731 PolarHBondContact OG-N 2.99Å; S726-Y731 PolarHBondContact OG-O 3.05Å; Y731-W744 CarbonylContact C-O 3.54Å; Y731-W744 WeakPolarHBondContact CA-O 3.17Å; Y731-V752 HydrophobicContact CD1-CG2 4.16Å; Y731-V752 HydrophobicContact CE1-CG2 4.07Å; Y731-T757 HydrophobicContact CE1-CG2 4.15Å; Y731-L761 HydrophobicContact CD2-CD1 3.48Å; Y731-L761 VanDerWaalsContact CD2-CD1 3.48Å; Y731-L761 HydrophobicContact CD2-CD2 4.01Å; Y731-L761 HydrophobicContact CD2-CG 4.42Å; Y731-L761 HydrophobicContact CE2-CD1 4.2Å; Y731-L761 HydrophobicContact CE2-CD2 4.26Å; Y731-L761 HydrophobicContact CG-CD1 3.69Å
732	L	97.8	Very high	97.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148	167.2	-57	98	0	0	0	110.6	A687 I697 L723 D724 W725 F743 W744 A746	A687-L732 HydrophobicContact CB-CD2 3.6Å; I697-L732 HydrophobicContact CD1-CD1 4.11Å; I697-L732 HydrophobicContact CD1-CD2 4.17Å; L723-L732 HydrophobicContact CD1-CD2 4.12Å; D724-L732 CarbonylContact O-C 3.6Å; D724-L732 VanDerWaalsContact O-CA 3.3Å; D724-L732 WeakPolarHBondContact O-CA 3.31Å; W725-L732 HydrophobicContact CD2-CD2 3.84Å; W725-L732 HydrophobicContact CD2-CG 3.92Å; W725-L732 HydrophobicContact CE3-CD1 4.16Å; W725-L732 HydrophobicContact CE3-CD2 4.19Å; W725-L732 HydrophobicContact CE3-CG 3.84Å; W725-L732 HydrophobicContact CG-CD2 4.44Å; W725-L732 HydrophobicContact CH2-CD1 3.95Å; W725-L732 HydrophobicContact CH2-CD2 4.06Å; W725-L732 HydrophobicContact CH2-CG 4.2Å; W725-L732 HydrophobicContact CZ2-CD1 4.45Å; W725-L732 HydrophobicContact CZ2-CD2 3.72Å; W725-L732 HydrophobicContact CZ2-CG 4.31Å; W725-L732 HydrophobicContact CZ3-CD1 3.84Å; W725-L732 HydrophobicContact CZ3-CD2 4.32Å; W725-L732 HydrophobicContact CZ3-CG 4.01Å; L732-F743 CarbonylContact O-C 3.57Å; L732-F743 VanDerWaalsContact O-CA 3.27Å; L732-F743 WeakPolarHBondContact O-CA 3.32Å; L732-W744 HydrophobicContact CB-CB 4.38Å; L732-W744 HydrophobicContact CD1-CB 4.37Å; L732-W744 PolarHBondContact N-O 2.63Å; L732-W744 PolarHBondContact O-N 2.88Å; L732-A746 HydrophobicContact CD1-CB 3.84Å
733	V	98.4	Very high	97.4	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.7	159.4	60.8	0	0	0	0	108.7	L723 D724 I741 L742 F743 W763	L723-V733 VanDerWaalsContact CA-O 3.29Å; L723-V733 WeakPolarHBondContact CA-O 3.44Å; D724-V733 HydrophobicContact CB-CG1 3.83Å; D724-V733 PolarHBondContact N-O 3.3Å; D724-V733 PolarHBondContact O-N 2.88Å; V733-I741 HydrophobicContact CG2-CG2 3.64Å; V733-L742 WeakPolarHBondContact CA-O 3.36Å; V733-F743 HydrophobicContact CB-CD1 3.78Å; V733-F743 HydrophobicContact CB-CE1 3.75Å; V733-F743 HydrophobicContact CG2-CD1 3.85Å; V733-F743 HydrophobicContact CG2-CE1 3.48Å; V733-F743 VanDerWaalsContact CG2-CE1 3.48Å; V733-F743 HydrophobicContact CG2-CZ 4.08Å; V733-W763 HydrophobicContact CB-CE3 4.33Å; V733-W763 HydrophobicContact CB-CH2 3.68Å; V733-W763 HydrophobicContact CB-CZ2 4.03Å; V733-W763 HydrophobicContact CB-CZ3 3.84Å; V733-W763 HydrophobicContact CG1-CD2 3.98Å; V733-W763 HydrophobicContact CG1-CE3 3.67Å; V733-W763 HydrophobicContact CG1-CH2 3.94Å; V733-W763 HydrophobicContact CG1-CZ2 4.2Å; V733-W763 HydrophobicContact CG1-CZ3 3.66Å
734	T	98.6	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.2	178.1	58.9	0	0	0	0	111.5	V695 H716 V720 H722 L723 I741 L742 W744	V695-T734 HydrophobicContact CG2-CG2 4Å; H716-T734 PolarHBondContact NE2-O 3.09Å; V720-T734 HydrophobicContact CG1-CG2 4.5Å; H722-T734 VanDerWaalsContact O-CA 3.3Å; H722-T734 WeakPolarHBondContact O-CA 3.5Å; L723-T734 HydrophobicContact CB-CG2 3.86Å; T734-I741 WeakPolarHBondContact O-CA 3.28Å; T734-L742 PolarHBondContact N-O 3.3Å; T734-L742 PolarHBondContact O-N 3.24Å; T734-L742 VanDerWaalsContact O-N 3.11Å; T734-L742 PolarHBondContact OG1-O 3.17Å; T734-W744 PolarHBondContact OG1-NE1 3.24Å
735	N	98.4	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.7	171.2	-61.8	162.2	0	0	0	110.3	V720 T721 H722 E740 C768 T769 L770	V720-N735 WeakPolarHBondContact CA-O 3.44Å; V720-N735 WeakPolarHBondContact CG1-O 3.48Å; T721-N735 PolarHBondContact N-O 3.19Å; T721-N735 PolarHBondContact OG1-O 3.49Å; H722-N735 HydrophobicContact CB-CB 4.17Å; H722-N735 PolarHBondContact O-N 3.29Å; N735-E740 WeakPolarHBondContact CA-O 3.31Å; N735-C768 WeakPolarHBondContact OD1-CA 3.21Å; N735-C768 WeakPolarHBondContact OD1-CB 3.3Å; N735-T769 PolarHBondContact OD1-N 3.25Å; N735-L770 PolarHBondContact ND2-O 3.34Å; N735-L770 VanDerWaalsContact ND2-O 3.1Å; N735-L770 PolarHBondContact OD1-N 3.44Å
736	S	97.3	Very high	97	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.7	174.4	73.3	0	0	0	0	113.5	H716 F719 D738 Y739 E740	H716-S736 WeakPolarHBondContact CE1-CB 3.46Å; H716-S736 PolarHBondContact CE1-OG 2.82Å; H716-S736 VanDerWaalsContact ND1-CB 3.35Å; H716-S736 WeakPolarHBondContact ND1-CB 3.41Å; H716-S736 PolarHBondContact ND1-OG 2.86Å; F719-S736 CarbonylContact O-C 3.6Å; F719-S736 WeakPolarHBondContact O-CA 3.15Å; F719-S736 VanDerWaalsContact O-CB 3.31Å; F719-S736 WeakPolarHBondContact O-CB 3.39Å; S736-D738 PolarHBondContact O-N 2.91Å; S736-D738 VanDerWaalsContact O-N 3.13Å; S736-D738 PolarHBondContact OG-N 3.44Å; S736-Y739 WeakPolarHBondContact O-CA 3.5Å; S736-Y739 PolarHBondContact O-N 2.9Å; S736-E740 PolarHBondContact N-O 3.42Å; S736-E740 PolarHBondContact OG-OE2 3.16Å; S736-E740 VanDerWaalsContact OG-OE2 3.11Å
737	G	95.3	Very high	96.6	Very high	20 Å²	20	29.8 Å²	29.8	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.7	174.5	0	0	0	0	0	115.6	F719 Y739	F719-G737 PolarHBondContact O-N 3.21Å; G737-Y739 VanDerWaalsContact C-N 3.32Å
738	D	93.1	Very high	96.1	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.171	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.7	169.5	-109.8	-20.1	0	0	0	112.2	R110 R239 S717 S736 E740	R110-D738 IonicContact NH2-OD2 2.69Å; R239-D738 IonicContact CZ-OD1 3.65Å; R239-D738 PolarHBondContact NH1-O 2.77Å; R239-D738 IonicContact NH1-OD1 2.93Å; R239-D738 PolarHBondContact NH1-OD1 3Å; R239-D738 IonicContact NH2-OD1 3.1Å; R239-D738 PolarHBondContact NH2-OD1 3.44Å; S717-D738 VanDerWaalsContact CB-OD2 3.27Å; S717-D738 WeakPolarHBondContact CB-OD2 3.24Å; S736-D738 PolarHBondContact O-N 2.91Å; S736-D738 VanDerWaalsContact O-N 3.13Å; S736-D738 PolarHBondContact OG-N 3.44Å; D738-E740 HydrophobicContact CB-CG 4.28Å
739	Y	95	Very high	95.9	Very high	31 Å²	31	25.6 Å²	25.6	12%	0.122	14%	0.137	C	C	.	.			trans	69.1	28.7	-176.4	-38.2	-44.5	0	0	0	114.8	L236 R239 S736 G737 D783	L236-Y739 HydrophobicContact CB-CD2 4.1Å; L236-Y739 HydrophobicContact CB-CE2 4.08Å; L236-Y739 HydrophobicContact CD1-CD1 4.46Å; L236-Y739 HydrophobicContact CD1-CG 4.38Å; R239-Y739 HydrophobicContact CB-CD2 4.48Å; S736-Y739 WeakPolarHBondContact O-CA 3.5Å; S736-Y739 PolarHBondContact O-N 2.9Å; G737-Y739 VanDerWaalsContact C-N 3.32Å; Y739-D783 PolarHBondContact OH-OD1 2.84Å
740	E	94.8	Very high	95.8	Very high	49 Å²	49	32.1 Å²	32.1	23%	0.229	17%	0.165	C	C	.	.			trans	-82.8	141.3	175.9	-57.2	167	140.6	0	0	110.6	H716 S717 N735 S736 D738 L742	H716-E740 WeakPolarHBondContact CA-OE2 3.26Å; H716-E740 WeakPolarHBondContact CE1-CB 3.36Å; H716-E740 VanDerWaalsContact CE1-CG 3.5Å; H716-E740 WeakPolarHBondContact CE1-CG 3.5Å; H716-E740 IonicContact CE1-OE1 2.7Å; H716-E740 IonicContact CE1-OE2 3.49Å; H716-E740 PolarHBondContact CE1-OE2 3.22Å; H716-E740 IonicContact CG-OE2 2.77Å; H716-E740 IonicContact ND1-OE2 3.22Å; H716-E740 PolarHBondContact ND1-OE2 2.68Å; H716-E740 VanDerWaalsContact NE2-CB 3.35Å; H716-E740 WeakPolarHBondContact NE2-CB 3.35Å; H716-E740 PolarHBondContact NE2-O 3.37Å; S717-E740 VanDerWaalsContact CB-OE1 3.24Å; S717-E740 WeakPolarHBondContact CB-OE1 3.47Å; S717-E740 PolarHBondContact N-OE2 3.46Å; S717-E740 PolarHBondContact OG-OE1 3.43Å; N735-E740 WeakPolarHBondContact CA-O 3.31Å; S736-E740 PolarHBondContact N-O 3.42Å; S736-E740 PolarHBondContact OG-OE2 3.16Å; S736-E740 VanDerWaalsContact OG-OE2 3.11Å; D738-E740 HydrophobicContact CB-CG 4.28Å; E740-L742 HydrophobicContact CB-CG 4.39Å
741	I	97.6	Very high	95.7	Very high	33 Å²	33	31.9 Å²	31.9	17%	0.169	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.3	170.1	-52.9	171.4	0	0	0	106.6	V241 M243 V733 T734 F743 L770	V241-I741 HydrophobicContact CG1-CD1 3.93Å; V241-I741 HydrophobicContact CG1-CG1 4.44Å; M243-I741 HydrophobicContact CG-CD1 3.57Å; M243-I741 HydrophobicContact SD-CD1 4.39Å; V733-I741 HydrophobicContact CG2-CG2 3.64Å; T734-I741 WeakPolarHBondContact O-CA 3.28Å; I741-F743 HydrophobicContact CG2-CE2 4.1Å; I741-F743 HydrophobicContact CG2-CZ 3.87Å; I741-L770 HydrophobicContact CD1-CB 3.97Å; I741-L770 WeakPolarHBondContact CD1-O 3.47Å; I741-L770 HydrophobicContact CG1-CB 3.92Å
742	L	98.1	Very high	95.7	Very high	24 Å²	24	30.5 Å²	30.5	13%	0.126	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.8	-179.3	-57.9	-174.4	0	0	0	110.8	H716 V733 T734 E740 W744	H716-L742 HydrophobicContact CB-CD1 4.34Å; H716-L742 WeakPolarHBondContact ND1-CD1 3.4Å; H716-L742 WeakPolarHBondContact NE2-CG 3.48Å; V733-L742 WeakPolarHBondContact CA-O 3.36Å; T734-L742 PolarHBondContact N-O 3.3Å; T734-L742 PolarHBondContact O-N 3.24Å; T734-L742 VanDerWaalsContact O-N 3.11Å; T734-L742 PolarHBondContact OG1-O 3.17Å; E740-L742 HydrophobicContact CB-CG 4.39Å; L742-W744 HydrophobicContact CB-CZ2 3.65Å; L742-W744 HydrophobicContact CD1-CH2 4.06Å; L742-W744 HydrophobicContact CD1-CZ2 3.71Å; L742-W744 HydrophobicContact CG-CZ2 4.34Å
743	F	98.3	Very high	95.5	Very high	28 Å²	28	35.8 Å²	35.8	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145	-177.2	-57.9	-86.3	0	0	0	111.4	L732 V733 I741 H751 V752 M755 V758 W763	L732-F743 CarbonylContact O-C 3.57Å; L732-F743 VanDerWaalsContact O-CA 3.27Å; L732-F743 WeakPolarHBondContact O-CA 3.32Å; V733-F743 HydrophobicContact CB-CD1 3.78Å; V733-F743 HydrophobicContact CB-CE1 3.75Å; V733-F743 HydrophobicContact CG2-CD1 3.85Å; V733-F743 HydrophobicContact CG2-CE1 3.48Å; V733-F743 VanDerWaalsContact CG2-CE1 3.48Å; V733-F743 HydrophobicContact CG2-CZ 4.08Å; I741-F743 HydrophobicContact CG2-CE2 4.1Å; I741-F743 HydrophobicContact CG2-CZ 3.87Å; F743-H751 WeakPolarHBondContact O-CA 3.44Å; F743-H751 PolarHBondContact O-CD2 2.98Å; F743-V752 HydrophobicContact CB-CB 4.17Å; F743-V752 PolarHBondContact O-N 3.29Å; F743-M755 HydrophobicContact CD2-CE 4.5Å; F743-M755 HydrophobicContact CD2-SD 4.18Å; F743-M755 HydrophobicContact CE2-CE 3.77Å; F743-M755 HydrophobicContact CE2-SD 3.83Å; F743-M755 HydrophobicContact CZ-CE 4.13Å; F743-V758 HydrophobicContact CB-CB 4.48Å; F743-V758 HydrophobicContact CB-CG1 4.03Å; F743-V758 HydrophobicContact CB-CG2 4.36Å; F743-V758 HydrophobicContact CD1-CB 3.94Å; F743-V758 HydrophobicContact CD1-CG1 4.29Å; F743-V758 HydrophobicContact CD1-CG2 3.97Å; F743-V758 HydrophobicContact CD2-CG2 3.78Å; F743-V758 HydrophobicContact CE1-CB 4.3Å; F743-V758 HydrophobicContact CE1-CG2 4.17Å; F743-V758 HydrophobicContact CE2-CG2 4Å; F743-V758 HydrophobicContact CG-CB 4.09Å; F743-V758 HydrophobicContact CG-CG1 4.19Å; F743-V758 HydrophobicContact CG-CG2 3.77Å; F743-V758 HydrophobicContact CZ-CG2 4.19Å; F743-W763 AromaticContact CD1-CH2 3.89Å; F743-W763 HydrophobicContact CD1-CH2 3.89Å; F743-W763 AromaticContact CD1-CZ2 3.87Å; F743-W763 HydrophobicContact CD1-CZ2 3.87Å; F743-W763 HydrophobicContact CE1-CH2 4.17Å; F743-W763 AromaticContact CE1-CZ2 3.72Å; F743-W763 HydrophobicContact CE1-CZ2 3.72Å
744	W	98	Very high	95.2	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.5	-171.4	-46.3	90.3	0	0	0	112	C713 Y731 L732 T734 L742 K750 H751	C713-W744 HydrophobicContact CB-CD2 3.56Å; C713-W744 HydrophobicContact CB-CE3 3.46Å; C713-W744 VanDerWaalsContact CB-CE3 3.46Å; C713-W744 HydrophobicContact CB-CG 4.18Å; C713-W744 HydrophobicContact CB-CH2 4.03Å; C713-W744 HydrophobicContact CB-CZ2 4.1Å; C713-W744 HydrophobicContact CB-CZ3 3.71Å; Y731-W744 CarbonylContact C-O 3.54Å; Y731-W744 WeakPolarHBondContact CA-O 3.17Å; L732-W744 HydrophobicContact CB-CB 4.38Å; L732-W744 HydrophobicContact CD1-CB 4.37Å; L732-W744 PolarHBondContact N-O 2.63Å; L732-W744 PolarHBondContact O-N 2.88Å; T734-W744 PolarHBondContact OG1-NE1 3.24Å; L742-W744 HydrophobicContact CB-CZ2 3.65Å; L742-W744 HydrophobicContact CD1-CH2 4.06Å; L742-W744 HydrophobicContact CD1-CZ2 3.71Å; L742-W744 HydrophobicContact CG-CZ2 4.34Å; W744-K750 CarbonylContact C-O 3.59Å; W744-K750 VanDerWaalsContact CA-O 3.31Å; W744-K750 WeakPolarHBondContact CA-O 3.39Å; W744-H751 HydrophobicContact CE3-CB 3.99Å; W744-H751 HydrophobicContact CH2-CB 4.35Å; W744-H751 HydrophobicContact CZ3-CB 3.65Å
745	E	96.3	Very high	94.8	Very high	67 Å²	67	41.2 Å²	41.2	31%	0.313	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	118	165	177.8	-176.3	-126	0	0	108.6	S747 S748 G749 K750 V752	E745-S747 PolarHBondContact O-N 2.89Å; E745-S748 PolarHBondContact O-N 2.77Å; E745-S748 WeakPolarHBondContact OE2-CB 3.21Å; E745-S748 PolarHBondContact OE2-OG 3.3Å; E745-G749 WeakPolarHBondContact O-CA 3.39Å; E745-G749 PolarHBondContact O-N 3Å; E745-K750 PolarHBondContact N-O 3.26Å; E745-V752 HydrophobicContact CB-CG2 4.27Å
746	A	91.8	Very high	94.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-47.3	-172.2	0	0	0	0	0	113.7	W725 S729 Q730 L732 S748	W725-A746 HydrophobicContact CE3-CB 4.38Å; W725-A746 HydrophobicContact CH2-CB 4.03Å; W725-A746 HydrophobicContact CZ3-CB 3.42Å; W725-A746 VanDerWaalsContact CZ3-CB 3.42Å; S729-A746 WeakPolarHBondContact O-CB 2.97Å; Q730-A746 VanDerWaalsContact O-CB 3.29Å; Q730-A746 WeakPolarHBondContact O-CB 3.39Å; Q730-A746 PolarHBondContact O-N 3.14Å; L732-A746 HydrophobicContact CD1-CB 3.84Å; A746-S748 PolarHBondContact O-N 3.21Å; A746-S748 VanDerWaalsContact O-N 3.14Å
747	S	90.3	Very high	94.1	Very high	62 Å²	62	48.7 Å²	48.7	43%	0.434	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.1	-174.2	64.1	0	0	0	0	114	E745	E745-S747 PolarHBondContact O-N 2.89Å
748	S	89.1	Confident	94	Very high	33 Å²	33	47.8 Å²	47.8	23%	0.231	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-17.2	-172.8	78.1	0	0	0	0	114.8	E745 A746 K750	E745-S748 PolarHBondContact O-N 2.77Å; E745-S748 WeakPolarHBondContact OE2-CB 3.21Å; E745-S748 PolarHBondContact OE2-OG 3.3Å; A746-S748 PolarHBondContact O-N 3.21Å; A746-S748 VanDerWaalsContact O-N 3.14Å; S748-K750 PolarHBondContact O-N 3.32Å; S748-K750 WeakPolarHBondContact OG-CB 3.32Å; S748-K750 WeakPolarHBondContact OG-CD 3.46Å; S748-K750 WeakPolarHBondContact OG-CG 3.43Å; S748-K750 PolarHBondContact OG-N 2.93Å
749	G	92.7	Very high	93.9	Very high	5 Å²	5	48 Å²	48	5%	0.052	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	16.4	-171	0	0	0	0	0	114.2	C713 E745	C713-G749 WeakPolarHBondContact CA-O 3.32Å; E745-G749 WeakPolarHBondContact O-CA 3.39Å; E745-G749 PolarHBondContact O-N 3Å
750	K	95.3	Very high	93.8	Very high	138 Å²	138	50.2 Å²	50.2	60%	0.6	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	138.4	179.6	-72.2	171.3	-167.9	160.5	0	111.7	W744 E745 S748 V752	W744-K750 CarbonylContact C-O 3.59Å; W744-K750 VanDerWaalsContact CA-O 3.31Å; W744-K750 WeakPolarHBondContact CA-O 3.39Å; E745-K750 PolarHBondContact N-O 3.26Å; S748-K750 PolarHBondContact O-N 3.32Å; S748-K750 WeakPolarHBondContact OG-CB 3.32Å; S748-K750 WeakPolarHBondContact OG-CD 3.46Å; S748-K750 WeakPolarHBondContact OG-CG 3.43Å; S748-K750 PolarHBondContact OG-N 2.93Å; K750-V752 PolarHBondContact O-N 2.85Å
751	H	96.1	Very high	93.8	Very high	85 Å²	85	49.6 Å²	49.6	39%	0.394	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.6	173.9	-176.5	-147.1	0	0	0	111.3	F743 W744	F743-H751 WeakPolarHBondContact O-CA 3.44Å; F743-H751 PolarHBondContact O-CD2 2.98Å; W744-H751 HydrophobicContact CE3-CB 3.99Å; W744-H751 HydrophobicContact CH2-CB 4.35Å; W744-H751 HydrophobicContact CZ3-CB 3.65Å
752	V	96.7	Very high	93.7	Very high	22 Å²	22	55.1 Å²	55.1	13%	0.133	29%	0.289	C	S	.	.			trans	-97	106.4	177.6	-177.9	0	0	0	0	108.9	Y731 F743 E745 K750 T757 V758	Y731-V752 HydrophobicContact CD1-CG2 4.16Å; Y731-V752 HydrophobicContact CE1-CG2 4.07Å; F743-V752 HydrophobicContact CB-CB 4.17Å; F743-V752 PolarHBondContact O-N 3.29Å; E745-V752 HydrophobicContact CB-CG2 4.27Å; K750-V752 PolarHBondContact O-N 2.85Å; V752-T757 HydrophobicContact CG1-CG2 4.36Å; V752-V758 HydrophobicContact CB-CG1 4.38Å; V752-V758 HydrophobicContact CG1-CG1 3.76Å
753	T	93.8	Very high	93.7	Very high	112 Å²	112	55.6 Å²	55.6	69%	0.687	29%	0.289	S	S	*	.			trans	-93.9	-10.7	-180	53.8	0	0	0	0	114	M755	T753-M755 PolarHBondContact O-N 3.42Å
754	N	93.1	Very high	93.7	Very high	81 Å²	81	55.8 Å²	55.8	43%	0.433	30%	0.296	S	S	.	.			trans	-83.8	104.1	177.4	-174.9	9.5	0	0	0	110.5	D756 T757	N754-D756 PolarHBondContact O-N 2.91Å; N754-D756 PolarHBondContact OD1-N 2.97Å; N754-D756 VanDerWaalsContact OD1-N 3.16Å; N754-T757 PolarHBondContact ND2-OG1 3.31Å; N754-T757 WeakPolarHBondContact O-CB 3.26Å; N754-T757 PolarHBondContact O-N 2.88Å; N754-T757 VanDerWaalsContact O-N 3.14Å
755	M	90.5	Very high	93.7	Very high	39 Å²	39	57.8 Å²	57.8	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-24.8	-180	-71.8	-52.9	-46.3	0	0	113.8	H244 F743 T753 T757 V758 R759	H244-M755 HydrophobicContact CB-CE 4.01Å; F743-M755 HydrophobicContact CD2-CE 4.5Å; F743-M755 HydrophobicContact CD2-SD 4.18Å; F743-M755 HydrophobicContact CE2-CE 3.77Å; F743-M755 HydrophobicContact CE2-SD 3.83Å; F743-M755 HydrophobicContact CZ-CE 4.13Å; T753-M755 PolarHBondContact O-N 3.42Å; M755-T757 PolarHBondContact O-N 3.28Å; M755-V758 HydrophobicContact CE-CG2 3.51Å; M755-V758 PolarHBondContact O-N 3.35Å; M755-V758 HydrophobicContact SD-CG2 3.92Å; M755-R759 HydrophobicContact CE-CB 4.45Å; M755-R759 VanDerWaalsContact O-CB 3.26Å; M755-R759 WeakPolarHBondContact O-CB 3.37Å; M755-R759 WeakPolarHBondContact O-CG 3.33Å; M755-R759 PolarHBondContact O-N 3.47Å; M755-R759 PolarHBondContact O-NE 2.88Å
756	D	88.6	Confident	93.8	Very high	104 Å²	104	54.8 Å²	54.8	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-67.8	-23.5	178.4	-58.4	-15.1	0	0	0	112.1	N754 R759	N754-D756 PolarHBondContact O-N 2.91Å; N754-D756 PolarHBondContact OD1-N 2.97Å; N754-D756 VanDerWaalsContact OD1-N 3.16Å; D756-R759 IonicContact OD1-CZ 3.44Å; D756-R759 VanDerWaalsContact OD1-CZ 3.29Å; D756-R759 IonicContact OD1-NE 3.13Å; D756-R759 PolarHBondContact OD1-NE 2.86Å; D756-R759 IonicContact OD1-NH2 3.61Å; D756-R759 PolarHBondContact OD1-NH2 3.44Å
757	T	91	Very high	94.1	Very high	54 Å²	54	56.1 Å²	56.1	33%	0.331	30%	0.303	S	S	.	.	H	α-helix	trans	-75.1	-32	174.3	-55.3	0	0	0	0	112.3	Y731 V752 N754 M755	Y731-T757 HydrophobicContact CE1-CG2 4.15Å; V752-T757 HydrophobicContact CG1-CG2 4.36Å; N754-T757 PolarHBondContact ND2-OG1 3.31Å; N754-T757 WeakPolarHBondContact O-CB 3.26Å; N754-T757 PolarHBondContact O-N 2.88Å; N754-T757 VanDerWaalsContact O-N 3.14Å; M755-T757 PolarHBondContact O-N 3.28Å
758	V	93.3	Very high	94.5	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-115.5	-21.5	-166.2	-58.6	0	0	0	0	115.1	F743 V752 M755 N760 L761	F743-V758 HydrophobicContact CB-CB 4.48Å; F743-V758 HydrophobicContact CB-CG1 4.03Å; F743-V758 HydrophobicContact CB-CG2 4.36Å; F743-V758 HydrophobicContact CD1-CB 3.94Å; F743-V758 HydrophobicContact CD1-CG1 4.29Å; F743-V758 HydrophobicContact CD1-CG2 3.97Å; F743-V758 HydrophobicContact CD2-CG2 3.78Å; F743-V758 HydrophobicContact CE1-CB 4.3Å; F743-V758 HydrophobicContact CE1-CG2 4.17Å; F743-V758 HydrophobicContact CE2-CG2 4Å; F743-V758 HydrophobicContact CG-CB 4.09Å; F743-V758 HydrophobicContact CG-CG1 4.19Å; F743-V758 HydrophobicContact CG-CG2 3.77Å; F743-V758 HydrophobicContact CZ-CG2 4.19Å; V752-V758 HydrophobicContact CB-CG1 4.38Å; V752-V758 HydrophobicContact CG1-CG1 3.76Å; M755-V758 HydrophobicContact CE-CG2 3.51Å; M755-V758 PolarHBondContact O-N 3.35Å; M755-V758 HydrophobicContact SD-CG2 3.92Å; V758-N760 PolarHBondContact O-N 3.43Å; V758-L761 HydrophobicContact CB-CD1 3.99Å; V758-L761 HydrophobicContact CG1-CD1 3.92Å; V758-L761 PolarHBondContact O-N 3.38Å
759	R	91.7	Very high	94.9	Very high	36 Å²	36	51.8 Å²	51.8	14%	0.136	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.7	-176.8	71.7	174.4	74.4	-146.3	8.9	114.5	H244 M755 D756	H244-R759 HydrophobicContact CB-CB 4.24Å; M755-R759 HydrophobicContact CE-CB 4.45Å; M755-R759 VanDerWaalsContact O-CB 3.26Å; M755-R759 WeakPolarHBondContact O-CB 3.37Å; M755-R759 WeakPolarHBondContact O-CG 3.33Å; M755-R759 PolarHBondContact O-N 3.47Å; M755-R759 PolarHBondContact O-NE 2.88Å; D756-R759 IonicContact OD1-CZ 3.44Å; D756-R759 VanDerWaalsContact OD1-CZ 3.29Å; D756-R759 IonicContact OD1-NE 3.13Å; D756-R759 PolarHBondContact OD1-NE 2.86Å; D756-R759 IonicContact OD1-NH2 3.61Å; D756-R759 PolarHBondContact OD1-NH2 3.44Å
760	N	93.1	Very high	95.1	Very high	78 Å²	78	51.8 Å²	51.8	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	8.1	-177.3	-63.5	-43	0	0	0	112.7	D247 V758	D247-N760 PolarHBondContact N-OD1 2.85Å; D247-N760 PolarHBondContact OD2-ND2 3.11Å; V758-N760 PolarHBondContact O-N 3.43Å
761	L	95.1	Very high	95.1	Very high	36 Å²	36	46.3 Å²	46.3	19%	0.188	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-70.3	139.4	176.9	-70.5	174.3	0	0	0	110.8	Y731 V758 W763	Y731-L761 HydrophobicContact CD2-CD1 3.48Å; Y731-L761 VanDerWaalsContact CD2-CD1 3.48Å; Y731-L761 HydrophobicContact CD2-CD2 4.01Å; Y731-L761 HydrophobicContact CD2-CG 4.42Å; Y731-L761 HydrophobicContact CE2-CD1 4.2Å; Y731-L761 HydrophobicContact CE2-CD2 4.26Å; Y731-L761 HydrophobicContact CG-CD1 3.69Å; V758-L761 HydrophobicContact CB-CD1 3.99Å; V758-L761 HydrophobicContact CG1-CD1 3.92Å; V758-L761 PolarHBondContact O-N 3.38Å; L761-W763 HydrophobicContact CB-CZ2 4.16Å; L761-W763 HydrophobicContact CD1-CH2 4.15Å; L761-W763 HydrophobicContact CD1-CZ2 4.17Å; L761-W763 PolarHBondContact O-NE1 3.11Å
762	E	95.5	Very high	95.1	Very high	149 Å²	149	43 Å²	43	70%	0.696	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-80.7	123.6	167.3	-172.2	172.7	-177.9	0	0	109.3	S726 A727	S726-E762 WeakPolarHBondContact CA-O 3.26Å; A727-E762 HydrophobicContact CB-CB 4.28Å; A727-E762 HydrophobicContact CB-CG 4.22Å; A727-E762 PolarHBondContact N-O 2.83Å
763	W	97.4	Very high	95.1	Very high	34 Å²	34	42.7 Å²	42.7	13%	0.129	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-92	127.4	178.7	-60.6	97.3	0	0	0	110.2	D724 V733 F743 L761 T765 R792	D724-W763 HydrophobicContact CB-CE3 4.43Å; V733-W763 HydrophobicContact CB-CE3 4.33Å; V733-W763 HydrophobicContact CB-CH2 3.68Å; V733-W763 HydrophobicContact CB-CZ2 4.03Å; V733-W763 HydrophobicContact CB-CZ3 3.84Å; V733-W763 HydrophobicContact CG1-CD2 3.98Å; V733-W763 HydrophobicContact CG1-CE3 3.67Å; V733-W763 HydrophobicContact CG1-CH2 3.94Å; V733-W763 HydrophobicContact CG1-CZ2 4.2Å; V733-W763 HydrophobicContact CG1-CZ3 3.66Å; F743-W763 AromaticContact CD1-CH2 3.89Å; F743-W763 HydrophobicContact CD1-CH2 3.89Å; F743-W763 AromaticContact CD1-CZ2 3.87Å; F743-W763 HydrophobicContact CD1-CZ2 3.87Å; F743-W763 HydrophobicContact CE1-CH2 4.17Å; F743-W763 AromaticContact CE1-CZ2 3.72Å; F743-W763 HydrophobicContact CE1-CZ2 3.72Å; L761-W763 HydrophobicContact CB-CZ2 4.16Å; L761-W763 HydrophobicContact CD1-CH2 4.15Å; L761-W763 HydrophobicContact CD1-CZ2 4.17Å; L761-W763 PolarHBondContact O-NE1 3.11Å; W763-T765 WeakPolarHBondContact CB-O 3.31Å; W763-T765 PolarHBondContact O-N 2.64Å; W763-R792 PolarHBondContact O-NH1 3Å
764	A	97.9	Very high	95.2	Very high	32 Å²	32	37.4 Å²	37.4	26%	0.264	20%	0.201	S	C	.	.	S	Bend	trans	-59.3	-35.8	-177.9	0	0	0	0	0	111.7	P681 W725 R792	P681-A764 HydrophobicContact CG-CB 3.42Å; P681-A764 VanDerWaalsContact CG-CB 3.42Å; W725-A764 WeakPolarHBondContact O-CB 3.36Å; W725-A764 PolarHBondContact O-N 3.37Å; A764-R792 PolarHBondContact O-NH2 2.73Å
765	T	97.9	Very high	95.4	Very high	45 Å²	45	33.7 Å²	33.7	28%	0.276	18%	0.181	S	C	.	.			trans	-133.5	167.5	177.7	40.5	0	0	0	0	109.3	K678 D724 W763	K678-T765 WeakPolarHBondContact CE-OG1 3.38Å; K678-T765 PolarHBondContact NZ-OG1 3.04Å; D724-T765 WeakPolarHBondContact OD1-CB 3.18Å; D724-T765 PolarHBondContact OD1-OG1 3.17Å; W763-T765 WeakPolarHBondContact CB-O 3.31Å; W763-T765 PolarHBondContact O-N 2.64Å
766	S	98.1	Very high	95.6	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.028	17%	0.173	C	C	.	.			trans	-135.7	82.3	169.7	-57.7	0	0	0	0	108.7	D724	D724-S766 WeakPolarHBondContact OD2-CA 3.49Å
767	T	98.3	Very high	95.9	Very high	27 Å²	27	27.1 Å²	27.1	17%	0.166	15%	0.147	C	C	.	.			trans	-109.6	-8	176.6	66.3	0	0	0	0	113.3	K678 H722 L723 D724 T769 V790	K678-T767 PolarHBondContact NZ-OG1 2.98Å; H722-T767 PolarHBondContact ND1-O 2.86Å; L723-T767 PolarHBondContact O-OG1 3.23Å; D724-T767 VanDerWaalsContact CG-N 3.28Å; D724-T767 WeakPolarHBondContact OD1-CB 3.32Å; D724-T767 PolarHBondContact OD1-N 2.77Å; D724-T767 PolarHBondContact OD1-OG1 2.78Å; D724-T767 PolarHBondContact OD2-N 3.16Å; T767-T769 PolarHBondContact O-N 3.47Å; T767-V790 VanDerWaalsContact CA-O 3.26Å; T767-V790 WeakPolarHBondContact CA-O 3.37Å; T767-V790 WeakPolarHBondContact O-CG1 3.38Å
768	C	98.4	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.			trans	-69.7	113.6	164.7	-76.5	0	0	0	0	111.6	H722 D724 N735 L770 T774	H722-C768 HydrophobicContact CB-CB 4.39Å; D724-C768 WeakPolarHBondContact OD2-CB 3.45Å; D724-C768 PolarHBondContact OD2-N 3.09Å; N735-C768 WeakPolarHBondContact OD1-CA 3.21Å; N735-C768 WeakPolarHBondContact OD1-CB 3.3Å; C768-L770 PolarHBondContact O-N 3.08Å; C768-T774 PolarHBondContact O-OG1 2.92Å
769	T	97.8	Very high	96	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.025	15%	0.153	C	C	.	.	S	Bend	trans	-66.6	-21.4	174.4	55.3	0	0	0	0	112.6	H722 N735 T767 W778 I787 V790	H722-T769 PolarHBondContact CD2-OG1 2.82Å; H722-T769 VanDerWaalsContact CD2-OG1 3.22Å; H722-T769 WeakPolarHBondContact NE2-CG2 3.29Å; H722-T769 PolarHBondContact NE2-OG1 2.7Å; N735-T769 PolarHBondContact OD1-N 3.25Å; T767-T769 PolarHBondContact O-N 3.47Å; T769-W778 PolarHBondContact O-NE1 2.96Å; T769-I787 HydrophobicContact CG2-CG2 3.92Å; T769-V790 HydrophobicContact CG2-CB 4.18Å; T769-V790 HydrophobicContact CG2-CG1 3.9Å
770	L	97.3	Very high	95.6	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	17%	0.174	C	C	.	.	S	Bend	trans	-109.2	88.6	173.3	-51.1	177.5	0	0	0	109.8	M234 L236 N735 I741 C768 W778	M234-L770 HydrophobicContact CE-CD2 3.7Å; L236-L770 HydrophobicContact CD1-CD2 3.64Å; N735-L770 PolarHBondContact ND2-O 3.34Å; N735-L770 VanDerWaalsContact ND2-O 3.1Å; N735-L770 PolarHBondContact OD1-N 3.44Å; I741-L770 HydrophobicContact CD1-CB 3.97Å; I741-L770 WeakPolarHBondContact CD1-O 3.47Å; I741-L770 HydrophobicContact CG1-CB 3.92Å; C768-L770 PolarHBondContact O-N 3.08Å; L770-W778 HydrophobicContact CD2-CZ2 3.76Å
771	S	96.6	Very high	95.2	Very high	23 Å²	23	31 Å²	31	16%	0.161	19%	0.187	C	C	.	.	S	Bend	trans	-148.9	155.5	171.5	177.4	0	0	0	0	110.6	M243 S773 T774 F775	M243-S771 VanDerWaalsContact SD-C 3.59Å; S771-S773 PolarHBondContact O-N 3.3Å; S771-S773 PolarHBondContact OG-N 2.87Å; S771-S773 PolarHBondContact OG-OG 3.03Å; S771-T774 WeakPolarHBondContact CB-OG1 3.43Å; S771-T774 PolarHBondContact N-OG1 2.91Å; S771-T774 PolarHBondContact O-N 3.31Å; S771-T774 VanDerWaalsContact O-N 3.08Å; S771-T774 PolarHBondContact O-OG1 3.43Å; S771-F775 WeakPolarHBondContact O-CB 3.39Å; S771-F775 PolarHBondContact O-N 3.21Å
772	F	95.8	Very high	94.8	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.066	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.2	173.6	174.7	-98.7	0	0	0	112.6	V232 M243 H244 V245 P246 F253 T774 F775 S816	V232-F772 HydrophobicContact CG2-CD2 4.28Å; V232-F772 HydrophobicContact CG2-CE2 4Å; M243-F772 HydrophobicContact CB-CB 4.17Å; H244-F772 WeakPolarHBondContact O-CB 3.39Å; V245-F772 HydrophobicContact CB-CE2 4.27Å; V245-F772 HydrophobicContact CB-CZ 4.4Å; V245-F772 HydrophobicContact CG1-CE1 4.3Å; V245-F772 HydrophobicContact CG1-CE2 4.15Å; V245-F772 HydrophobicContact CG1-CZ 3.82Å; V245-F772 HydrophobicContact CG2-CD2 4.08Å; V245-F772 HydrophobicContact CG2-CE2 3.68Å; V245-F772 HydrophobicContact CG2-CZ 4.23Å; P246-F772 VanDerWaalsContact CD-CD1 3.41Å; P246-F772 HydrophobicContact CG-CD1 4.15Å; P246-F772 HydrophobicContact CG-CE1 4.36Å; F253-F772 HydrophobicContact CD2-CE2 4.14Å; F253-F772 AromaticContact CD2-CZ 3.82Å; F253-F772 HydrophobicContact CD2-CZ 3.82Å; F253-F772 AromaticContact CE2-CE2 3.7Å; F253-F772 HydrophobicContact CE2-CE2 3.7Å; F253-F772 AromaticContact CE2-CZ 3.67Å; F253-F772 HydrophobicContact CE2-CZ 3.67Å; F253-F772 HydrophobicContact CZ-CE2 4.02Å; F253-F772 HydrophobicContact CZ-CZ 4.44Å; F772-T774 VanDerWaalsContact C-N 3.34Å; F772-F775 HydrophobicContact CD2-CE1 4.14Å; F772-F775 HydrophobicContact CE2-CE1 4.29Å; F772-F775 WeakPolarHBondContact O-CD1 3.44Å; F772-S816 WeakPolarHBondContact O-CA 3.27Å; F772-S816 VanDerWaalsContact O-CB 3.29Å; F772-S816 WeakPolarHBondContact O-CB 3.47Å; F772-S816 PolarHBondContact O-OG 3.11Å
773	S	95.7	Very high	94.3	Very high	17 Å²	17	23.7 Å²	23.7	12%	0.119	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.5	178.4	55.2	0	0	0	0	114.8	S771 C815 S816	S771-S773 PolarHBondContact O-N 3.3Å; S771-S773 PolarHBondContact OG-N 2.87Å; S771-S773 PolarHBondContact OG-OG 3.03Å; S773-C815 PolarHBondContact O-N 3.44Å; S773-S816 WeakPolarHBondContact CA-OG 3.49Å
774	T	97	Very high	93.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-16.5	-171.6	59.2	0	0	0	0	114.7	C768 S771 F772 G776 I777 V790 L799 C815	C768-T774 PolarHBondContact O-OG1 2.92Å; S771-T774 WeakPolarHBondContact CB-OG1 3.43Å; S771-T774 PolarHBondContact N-OG1 2.91Å; S771-T774 PolarHBondContact O-N 3.31Å; S771-T774 VanDerWaalsContact O-N 3.08Å; S771-T774 PolarHBondContact O-OG1 3.43Å; F772-T774 VanDerWaalsContact C-N 3.34Å; T774-G776 PolarHBondContact O-N 3.39Å; T774-I777 VanDerWaalsContact O-CG1 3.26Å; T774-I777 WeakPolarHBondContact O-CG1 3.34Å; T774-I777 WeakPolarHBondContact O-CG2 3.26Å; T774-I777 PolarHBondContact O-N 2.95Å; T774-I777 VanDerWaalsContact O-N 3.15Å; T774-V790 HydrophobicContact CG2-CG1 4.44Å; T774-L799 HydrophobicContact CG2-CD1 4.07Å; T774-L799 HydrophobicContact CG2-CD2 4.02Å; T774-C815 CarbonylContact C-O 3.57Å
775	F	95.9	Very high	93.4	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.013	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.4	-169	83.2	-87.3	0	0	0	115.8	V232 M234 M243 S771 F772 I777 W778 C815 S816 P818	V232-F775 HydrophobicContact CG1-CE1 4.34Å; V232-F775 HydrophobicContact CG1-CE2 4.09Å; V232-F775 HydrophobicContact CG1-CZ 3.84Å; M234-F775 HydrophobicContact CE-CB 4.16Å; M234-F775 HydrophobicContact SD-CB 4.08Å; M234-F775 HydrophobicContact SD-CD2 4.26Å; M243-F775 HydrophobicContact CE-CB 3.59Å; M243-F775 HydrophobicContact CE-CD1 4.03Å; M243-F775 HydrophobicContact CE-CD2 4.08Å; M243-F775 HydrophobicContact CE-CG 3.62Å; M243-F775 HydrophobicContact SD-CB 3.64Å; M243-F775 HydrophobicContact SD-CD1 4.36Å; M243-F775 HydrophobicContact SD-CG 4.16Å; S771-F775 WeakPolarHBondContact O-CB 3.39Å; S771-F775 PolarHBondContact O-N 3.21Å; F772-F775 HydrophobicContact CD2-CE1 4.14Å; F772-F775 HydrophobicContact CE2-CE1 4.29Å; F772-F775 WeakPolarHBondContact O-CD1 3.44Å; F775-I777 PolarHBondContact O-N 2.74Å; F775-W778 PolarHBondContact O-N 3.45Å; F775-C815 PolarHBondContact N-O 3.18Å; F775-S816 WeakPolarHBondContact CE1-O 3.19Å; F775-S816 WeakPolarHBondContact CZ-O 3.42Å; F775-P818 HydrophobicContact CE2-CB 4.44Å
776	G	94.9	Very high	93.3	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.021	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-64.5	-15.5	177	0	0	0	0	0	114.7	T774 W778 C815 Q817 A820	T774-G776 PolarHBondContact O-N 3.39Å; G776-W778 VanDerWaalsContact C-N 3.26Å; G776-W778 PolarHBondContact O-N 3.31Å; G776-C815 WeakPolarHBondContact CA-O 3.49Å; G776-C815 PolarHBondContact N-O 3.47Å; G776-Q817 WeakPolarHBondContact CA-O 3.45Å; G776-A820 WeakPolarHBondContact O-CB 3.23Å; G776-A820 PolarHBondContact O-N 2.9Å
777	I	96.4	Very high	93.2	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.7	-21.4	175.5	71	-168.5	0	0	0	113.4	T774 F775 P779 I787 V790 L799 F811 C815	T774-I777 VanDerWaalsContact O-CG1 3.26Å; T774-I777 WeakPolarHBondContact O-CG1 3.34Å; T774-I777 WeakPolarHBondContact O-CG2 3.26Å; T774-I777 PolarHBondContact O-N 2.95Å; T774-I777 VanDerWaalsContact O-N 3.15Å; F775-I777 PolarHBondContact O-N 2.74Å; I777-P779 WeakPolarHBondContact O-CD 3.45Å; I777-I787 HydrophobicContact CD1-CG2 4.04Å; I777-V790 HydrophobicContact CD1-CB 3.97Å; I777-V790 HydrophobicContact CD1-CG1 4.48Å; I777-V790 HydrophobicContact CD1-CG2 3.78Å; I777-L799 HydrophobicContact CG2-CD2 3.63Å; I777-F811 HydrophobicContact CB-CE2 4.05Å; I777-F811 HydrophobicContact CB-CZ 3.96Å; I777-F811 HydrophobicContact CG2-CD1 4.47Å; I777-F811 HydrophobicContact CG2-CD2 3.85Å; I777-F811 HydrophobicContact CG2-CE1 4.33Å; I777-F811 HydrophobicContact CG2-CE2 3.72Å; I777-F811 HydrophobicContact CG2-CG 4.24Å; I777-F811 HydrophobicContact CG2-CZ 3.98Å; I777-C815 HydrophobicContact CG2-CB 4.36Å
778	W	95	Very high	93.2	Very high	13 Å²	13	23.7 Å²	23.7	5%	0.049	15%	0.154	C	C	.	.	S	Bend	trans	-77.8	122.8	-176.4	-67.5	95.2	0	0	0	111.1	M234 L236 T769 L770 F775 G776 A782 D783 D786 I787	M234-W778 HydrophobicContact CE-CG 4.26Å; M234-W778 HydrophobicContact SD-CB 3.96Å; M234-W778 HydrophobicContact SD-CG 3.95Å; L236-W778 HydrophobicContact CD1-CZ2 4.44Å; L236-W778 HydrophobicContact CD2-CD2 4.09Å; L236-W778 HydrophobicContact CD2-CE3 3.95Å; L236-W778 HydrophobicContact CD2-CG 4.42Å; L236-W778 HydrophobicContact CD2-CZ3 4.49Å; T769-W778 PolarHBondContact O-NE1 2.96Å; L770-W778 HydrophobicContact CD2-CZ2 3.76Å; F775-W778 PolarHBondContact O-N 3.45Å; G776-W778 VanDerWaalsContact C-N 3.26Å; G776-W778 PolarHBondContact O-N 3.31Å; W778-A782 HydrophobicContact CE3-CB 3.91Å; W778-D783 WeakPolarHBondContact CZ3-O 3.07Å; W778-D786 HydrophobicContact CZ3-CB 4.43Å; W778-I787 HydrophobicContact CD2-CG1 4.03Å; W778-I787 HydrophobicContact CE3-CB 4.2Å; W778-I787 HydrophobicContact CE3-CG1 3.62Å; W778-I787 HydrophobicContact CH2-CB 3.77Å; W778-I787 HydrophobicContact CH2-CG1 4.14Å; W778-I787 HydrophobicContact CZ2-CB 4.15Å; W778-I787 HydrophobicContact CZ3-CB 3.77Å; W778-I787 HydrophobicContact CZ3-CG1 3.66Å
779	P	89.9	Confident	93.2	Very high	63 Å²	63	23.9 Å²	23.9	41%	0.409	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-71.8	159.3	178	26.9	-31.5	0	0	0	112.8	I777 G781 A782	I777-P779 WeakPolarHBondContact O-CD 3.45Å; P779-G781 PolarHBondContact O-N 3.23Å; P779-G781 VanDerWaalsContact O-N 3.12Å; P779-A782 HydrophobicContact CG-CB 3.99Å; P779-A782 WeakPolarHBondContact O-CB 3.31Å; P779-A782 PolarHBondContact O-N 3.16Å; P779-A782 VanDerWaalsContact O-N 3.11Å
780	D	84.7	Confident	93.2	Very high	110 Å²	110	23.8 Å²	23.8	59%	0.588	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	116.9	177.6	-86.6	-8.2	0	0	0	111.1	R819	D780-R819 WeakPolarHBondContact OD1-CG 3.33Å; D780-R819 IonicContact OD1-NH1 3.81Å; D780-R819 VanDerWaalsContact OD2-CD 3.26Å; D780-R819 WeakPolarHBondContact OD2-CD 3.31Å; D780-R819 IonicContact OD2-CZ 3.61Å; D780-R819 IonicContact OD2-NE 3.34Å; D780-R819 IonicContact OD2-NH1 2.66Å; D780-R819 PolarHBondContact OD2-NH1 3.17Å
781	G	83.3	Confident	93.3	Very high	66 Å²	66	24.4 Å²	24.4	68%	0.68	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	10.6	178.2	0	0	0	0	0	115.5	P779	P779-G781 PolarHBondContact O-N 3.23Å; P779-G781 VanDerWaalsContact O-N 3.12Å
782	A	86.2	Confident	93.4	Very high	6 Å²	6	25.6 Å²	25.6	5%	0.05	16%	0.161	C	C	.	.			trans	-51.1	146.1	177.9	0	0	0	0	0	114.3	L236 W778 P779 D786	L236-A782 HydrophobicContact CD2-CB 4.25Å; W778-A782 HydrophobicContact CE3-CB 3.91Å; P779-A782 HydrophobicContact CG-CB 3.99Å; P779-A782 WeakPolarHBondContact O-CB 3.31Å; P779-A782 PolarHBondContact O-N 3.16Å; P779-A782 VanDerWaalsContact O-N 3.11Å; A782-D786 VanDerWaalsContact CA-OD2 3.23Å; A782-D786 WeakPolarHBondContact CA-OD2 3.49Å
783	D	85.6	Confident	93.5	Very high	25 Å²	25	24.9 Å²	24.9	13%	0.134	16%	0.158	C	C	.	.			trans	-73.1	147.8	154.4	-164.1	-2.7	0	0	0	109.4	R237 Y739 W778 T785 D786	R237-D783 WeakPolarHBondContact CD-OD1 3.42Å; R237-D783 IonicContact CZ-OD1 2.67Å; R237-D783 IonicContact CZ-OD2 2.69Å; R237-D783 IonicContact NE-OD1 3.15Å; R237-D783 PolarHBondContact NE-OD1 2.94Å; R237-D783 VanDerWaalsContact NE-OD1 3.08Å; R237-D783 IonicContact NE-OD2 2.86Å; R237-D783 PolarHBondContact NE-OD2 2.91Å; R237-D783 VanDerWaalsContact NH1-CG 3.26Å; R237-D783 IonicContact NH1-OD1 3.41Å; R237-D783 PolarHBondContact NH1-OD1 3.38Å; R237-D783 IonicContact NH1-OD2 3.26Å; R237-D783 PolarHBondContact NH1-OD2 2.95Å; R237-D783 IonicContact NH2-OD1 3.38Å; R237-D783 IonicContact NH2-OD2 2.79Å; R237-D783 PolarHBondContact NH2-OD2 3.24Å; Y739-D783 PolarHBondContact OH-OD1 2.84Å; W778-D783 WeakPolarHBondContact CZ3-O 3.07Å; D783-T785 PolarHBondContact O-N 3.37Å; D783-T785 PolarHBondContact OD2-OG1 3.14Å; D783-D786 WeakPolarHBondContact CB-OD1 3.42Å; D783-D786 PolarHBondContact N-OD2 3.28Å; D783-D786 WeakPolarHBondContact O-CB 3.2Å; D783-D786 PolarHBondContact O-N 2.91Å; D783-D786 VanDerWaalsContact O-N 3.1Å
784	G	87.1	Confident	93.6	Very high	15 Å²	15	29 Å²	29	16%	0.155	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	12.1	175.5	0	0	0	0	0	114.4
785	T	90.5	Very high	93.6	Very high	66 Å²	66	33.9 Å²	33.9	41%	0.405	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-12.7	168	58.4	0	0	0	0	112.7	D783 I787	D783-T785 PolarHBondContact O-N 3.37Å; D783-T785 PolarHBondContact OD2-OG1 3.14Å; T785-I787 PolarHBondContact O-N 3.22Å
786	D	93.8	Very high	93.6	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.139	21%	0.212	C	C	.	.	S	Bend	trans	-60.4	-24.3	-172.8	-71.8	-18.8	0	0	0	113.1	W778 A782 D783 D803 D804 F805	W778-D786 HydrophobicContact CZ3-CB 4.43Å; A782-D786 VanDerWaalsContact CA-OD2 3.23Å; A782-D786 WeakPolarHBondContact CA-OD2 3.49Å; D783-D786 WeakPolarHBondContact CB-OD1 3.42Å; D783-D786 PolarHBondContact N-OD2 3.28Å; D783-D786 WeakPolarHBondContact O-CB 3.2Å; D783-D786 PolarHBondContact O-N 2.91Å; D783-D786 VanDerWaalsContact O-N 3.1Å; D786-D803 CarbonylContact O-C 3.52Å; D786-D803 WeakPolarHBondContact O-CA 3.3Å; D786-D803 VanDerWaalsContact O-CB 3.24Å; D786-D803 WeakPolarHBondContact O-CB 3.34Å; D786-D804 PolarHBondContact O-N 3.41Å; D786-F805 HydrophobicContact CB-CE2 4.11Å; D786-F805 HydrophobicContact CB-CZ 4.44Å
787	I	97.3	Very high	93.7	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.7	177.1	-52.5	-61.4	0	0	0	109.3	T769 I777 W778 T785 A802 D803	T769-I787 HydrophobicContact CG2-CG2 3.92Å; I777-I787 HydrophobicContact CD1-CG2 4.04Å; W778-I787 HydrophobicContact CD2-CG1 4.03Å; W778-I787 HydrophobicContact CE3-CB 4.2Å; W778-I787 HydrophobicContact CE3-CG1 3.62Å; W778-I787 HydrophobicContact CH2-CB 3.77Å; W778-I787 HydrophobicContact CH2-CG1 4.14Å; W778-I787 HydrophobicContact CZ2-CB 4.15Å; W778-I787 HydrophobicContact CZ3-CB 3.77Å; W778-I787 HydrophobicContact CZ3-CG1 3.66Å; T785-I787 PolarHBondContact O-N 3.22Å; I787-A802 CarbonylContact C-O 3.55Å; I787-A802 WeakPolarHBondContact CA-O 3.2Å; I787-D803 HydrophobicContact CD1-CB 3.86Å
788	N	98.1	Very high	93.8	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.15	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-30.1	-176.5	-74.1	-59.7	0	0	0	114	W592 H722 A802 D804 V832	W592-N788 HydrophobicContact CZ3-CB 4.41Å; H722-N788 PolarHBondContact CE1-O 2.89Å; H722-N788 VanDerWaalsContact CE1-O 3.3Å; N788-A802 PolarHBondContact N-O 3.47Å; N788-D804 PolarHBondContact ND2-OD1 2.94Å; N788-V832 VanDerWaalsContact CB-O 3.25Å; N788-V832 WeakPolarHBondContact CB-O 3.15Å; N788-V832 PolarHBondContact ND2-O 3.32Å; N788-V832 VanDerWaalsContact ND2-O 3.09Å
789	A	98.5	Very high	94	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.7	-179.5	0	0	0	0	0	111.7	S801 A802 V835	A789-S801 WeakPolarHBondContact O-CA 3.16Å; A789-A802 HydrophobicContact CB-CB 4.1Å; A789-A802 PolarHBondContact O-N 3.03Å; A789-V835 HydrophobicContact CB-CG2 4.13Å
790	V	98.7	Very high	94.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.4	170.9	70	0	0	0	0	108.5	T767 T769 T774 I777 L799 A800	T767-V790 VanDerWaalsContact CA-O 3.26Å; T767-V790 WeakPolarHBondContact CA-O 3.37Å; T767-V790 WeakPolarHBondContact O-CG1 3.38Å; T769-V790 HydrophobicContact CG2-CB 4.18Å; T769-V790 HydrophobicContact CG2-CG1 3.9Å; T774-V790 HydrophobicContact CG2-CG1 4.44Å; I777-V790 HydrophobicContact CD1-CB 3.97Å; I777-V790 HydrophobicContact CD1-CG1 4.48Å; I777-V790 HydrophobicContact CD1-CG2 3.78Å; V790-L799 HydrophobicContact CG2-CD1 3.54Å; V790-L799 HydrophobicContact CG2-CD2 3.87Å; V790-L799 HydrophobicContact CG2-CG 3.56Å; V790-A800 CarbonylContact C-O 3.53Å; V790-A800 VanDerWaalsContact CA-O 3.24Å; V790-A800 WeakPolarHBondContact CA-O 3.45Å; V790-A800 VanDerWaalsContact CG2-O 3.23Å; V790-A800 WeakPolarHBondContact CG2-O 3.34Å
791	C	98.6	Very high	95	Very high	17 Å²	17	28.6 Å²	28.6	12%	0.115	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134.6	174	-170.2	0	0	0	0	110.3	L799 A800 V835 F837	C791-L799 WeakPolarHBondContact O-CA 3.36Å; C791-A800 PolarHBondContact N-O 3.44Å; C791-A800 PolarHBondContact O-N 2.98Å; C791-V835 HydrophobicContact CB-CG2 4.4Å; C791-V835 VanDerWaalsContact CB-O 3.3Å; C791-V835 WeakPolarHBondContact CB-O 3.08Å; C791-F837 HydrophobicContact CB-CD2 4.48Å; C791-F837 WeakPolarHBondContact O-CE2 3.43Å
792	R	98.6	Very high	95.7	Very high	48 Å²	48	25.5 Å²	25.5	18%	0.181	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	142.4	172.1	-172.7	-166.6	74	-153.1	1.4	109	W763 A764 L798 L799 F813	W763-R792 PolarHBondContact O-NH1 3Å; A764-R792 PolarHBondContact O-NH2 2.73Å; R792-L798 WeakPolarHBondContact CA-O 3.36Å; R792-L798 WeakPolarHBondContact CG-O 3.5Å; R792-L799 HydrophobicContact CB-CD1 4.01Å; R792-F813 HydrophobicContact CB-CD2 4.4Å; R792-F813 HydrophobicContact CB-CE2 4.45Å; R792-F813 VanDerWaalsContact CD-CE1 3.47Å; R792-F813 VanDerWaalsContact CD-CZ 3.44Å; R792-F813 HydrophobicContact CG-CB 4.4Å; R792-F813 HydrophobicContact CG-CD1 4.12Å; R792-F813 HydrophobicContact CG-CD2 3.73Å; R792-F813 HydrophobicContact CG-CE1 4.32Å; R792-F813 HydrophobicContact CG-CE2 3.94Å; R792-F813 HydrophobicContact CG-CG 3.81Å; R792-F813 HydrophobicContact CG-CZ 4.23Å
793	S	98.5	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.			trans	-59.6	156.9	167.9	56.1	0	0	0	0	111.8	D795 G796 S797 L798 D841	S793-D795 VanDerWaalsContact C-N 3.34Å; S793-D795 VanDerWaalsContact CB-OD1 3.24Å; S793-D795 WeakPolarHBondContact CB-OD1 3.44Å; S793-D795 PolarHBondContact OG-OD1 2.94Å; S793-G796 PolarHBondContact O-N 2.87Å; S793-G796 VanDerWaalsContact O-N 3.17Å; S793-G796 PolarHBondContact OG-N 2.98Å; S793-S797 PolarHBondContact OG-N 2.81Å; S793-L798 PolarHBondContact N-O 2.86Å; S793-L798 PolarHBondContact OG-N 2.89Å; S793-L798 PolarHBondContact OG-O 2.99Å; S793-D841 VanDerWaalsContact CA-OD1 3.23Å; S793-D841 WeakPolarHBondContact CA-OD1 3.24Å; S793-D841 WeakPolarHBondContact CB-OD1 3.43Å
794	H	97.3	Very high	96.7	Very high	103 Å²	103	26.1 Å²	26.1	48%	0.477	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.8	178.6	-64.8	-84	0	0	0	111.6	G796 L838 D841	H794-G796 PolarHBondContact O-N 2.92Å; H794-L838 PolarHBondContact CD2-O 2.96Å; H794-L838 PolarHBondContact NE2-O 3.12Å; H794-D841 WeakPolarHBondContact CA-OD2 3.32Å; H794-D841 WeakPolarHBondContact CB-OD2 3.29Å; H794-D841 IonicContact CD2-OD1 1.98Å; H794-D841 PolarHBondContact CD2-OD1 3.42Å; H794-D841 IonicContact CG-OD1 3.97Å; H794-D841 VanDerWaalsContact N-CG 3.3Å; H794-D841 PolarHBondContact N-OD1 2.82Å; H794-D841 PolarHBondContact N-OD2 2.93Å
795	D	96.8	Very high	97	Very high	104 Å²	104	28.7 Å²	28.7	56%	0.556	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14	171.6	82.9	-21	0	0	0	114.3	S793 S797 D841	S793-D795 VanDerWaalsContact C-N 3.34Å; S793-D795 VanDerWaalsContact CB-OD1 3.24Å; S793-D795 WeakPolarHBondContact CB-OD1 3.44Å; S793-D795 PolarHBondContact OG-OD1 2.94Å; D795-S797 VanDerWaalsContact C-N 3.34Å; D795-S797 PolarHBondContact O-N 2.85Å; D795-S797 PolarHBondContact OD1-N 3.45Å; D795-S797 PolarHBondContact OD1-OG 3.34Å; D795-S797 WeakPolarHBondContact OD2-CB 3.09Å; D795-S797 PolarHBondContact OD2-OG 2.85Å; D795-D841 PolarHBondContact N-OD2 2.79Å
796	G	96.3	Very high	97.2	Very high	24 Å²	24	25.6 Å²	25.6	25%	0.247	14%	0.138	C	C	.	.	S	Bend	trans	72.4	15.4	-178.8	0	0	0	0	0	115.7	S793 H794 F813	S793-G796 PolarHBondContact O-N 2.87Å; S793-G796 VanDerWaalsContact O-N 3.17Å; S793-G796 PolarHBondContact OG-N 2.98Å; H794-G796 PolarHBondContact O-N 2.92Å; G796-F813 VanDerWaalsContact O-CD1 3.23Å; G796-F813 WeakPolarHBondContact O-CD1 3.23Å
797	S	96.7	Very high	97.4	Very high	51 Å²	51	26.3 Å²	26.3	36%	0.357	14%	0.14	S	C	.	.	S	Bend	trans	-91.2	-23.7	178.7	73.6	0	0	0	0	114.4	S793 D795 F813	S793-S797 PolarHBondContact OG-N 2.81Å; D795-S797 VanDerWaalsContact C-N 3.34Å; D795-S797 PolarHBondContact O-N 2.85Å; D795-S797 PolarHBondContact OD1-N 3.45Å; D795-S797 PolarHBondContact OD1-OG 3.34Å; D795-S797 WeakPolarHBondContact OD2-CB 3.09Å; D795-S797 PolarHBondContact OD2-OG 2.85Å; S797-F813 PolarHBondContact O-N 2.81Å
798	L	98.4	Very high	97.4	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.047	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.7	-173.5	-59.4	175.6	0	0	0	113	P262 K264 R792 S793 L810 F837 V859	P262-L798 HydrophobicContact CB-CD2 3.56Å; K264-L798 HydrophobicContact CB-CD1 3.85Å; K264-L798 HydrophobicContact CB-CD2 4.06Å; K264-L798 HydrophobicContact CG-CD1 4.15Å; R792-L798 WeakPolarHBondContact CA-O 3.36Å; R792-L798 WeakPolarHBondContact CG-O 3.5Å; S793-L798 PolarHBondContact N-O 2.86Å; S793-L798 PolarHBondContact OG-N 2.89Å; S793-L798 PolarHBondContact OG-O 2.99Å; L798-L810 HydrophobicContact CB-CD1 4.2Å; L798-L810 HydrophobicContact CD1-CD1 4.33Å; L798-L810 HydrophobicContact CD1-CD2 4.44Å; L798-L810 HydrophobicContact CD2-CD2 4.43Å; L798-F837 HydrophobicContact CB-CZ 4.01Å; L798-F837 HydrophobicContact CD1-CE1 4.38Å; L798-F837 HydrophobicContact CD1-CZ 4.45Å; L798-V859 HydrophobicContact CD1-CG1 3.87Å
799	L	98.6	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123	170.9	-169.1	73.4	0	0	0	108.9	T774 I777 V790 C791 R792 F811 F813 C815	T774-L799 HydrophobicContact CG2-CD1 4.07Å; T774-L799 HydrophobicContact CG2-CD2 4.02Å; I777-L799 HydrophobicContact CG2-CD2 3.63Å; V790-L799 HydrophobicContact CG2-CD1 3.54Å; V790-L799 HydrophobicContact CG2-CD2 3.87Å; V790-L799 HydrophobicContact CG2-CG 3.56Å; C791-L799 WeakPolarHBondContact O-CA 3.36Å; R792-L799 HydrophobicContact CB-CD1 4.01Å; L799-F811 HydrophobicContact CB-CB 4.36Å; L799-F811 PolarHBondContact N-O 2.52Å; L799-F811 PolarHBondContact O-N 3.3Å; L799-F813 HydrophobicContact CB-CB 4.36Å; L799-F813 HydrophobicContact CB-CD2 4.25Å; L799-F813 HydrophobicContact CD1-CD2 3.96Å; L799-F813 HydrophobicContact CD1-CE2 4.37Å; L799-F813 HydrophobicContact CG-CD2 4.48Å; L799-C815 HydrophobicContact CD2-CB 3.42Å; L799-C815 VanDerWaalsContact CD2-CB 3.42Å
800	A	98.8	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.1	173.6	0	0	0	0	0	110.2	V790 C791 Q809 L810 F837 L844	V790-A800 CarbonylContact C-O 3.53Å; V790-A800 VanDerWaalsContact CA-O 3.24Å; V790-A800 WeakPolarHBondContact CA-O 3.45Å; V790-A800 VanDerWaalsContact CG2-O 3.23Å; V790-A800 WeakPolarHBondContact CG2-O 3.34Å; C791-A800 PolarHBondContact N-O 3.44Å; C791-A800 PolarHBondContact O-N 2.98Å; A800-Q809 CarbonylContact C-O 3.59Å; A800-Q809 VanDerWaalsContact CA-O 3.28Å; A800-Q809 WeakPolarHBondContact CA-O 3.48Å; A800-L810 HydrophobicContact CB-CD1 4.27Å; A800-F837 HydrophobicContact CB-CE2 3.77Å; A800-F837 HydrophobicContact CB-CZ 3.88Å; A800-L844 HydrophobicContact CB-CD1 3.65Å; A800-L844 HydrophobicContact CB-CD2 3.72Å; A800-L844 HydrophobicContact CB-CG 4.38Å
801	S	98.6	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.8	172	75.9	0	0	0	0	112.5	A789 V808 Q809	A789-S801 WeakPolarHBondContact O-CA 3.16Å; S801-V808 WeakPolarHBondContact O-CA 3.35Å; S801-Q809 PolarHBondContact N-O 3.32Å; S801-Q809 PolarHBondContact O-N 2.84Å
802	A	98.1	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.5	180	0	0	0	0	0	109.7	I787 N788 A789 V832 V835	I787-A802 CarbonylContact C-O 3.55Å; I787-A802 WeakPolarHBondContact CA-O 3.2Å; N788-A802 PolarHBondContact N-O 3.47Å; A789-A802 HydrophobicContact CB-CB 4.1Å; A789-A802 PolarHBondContact O-N 3.03Å; A802-V832 HydrophobicContact CB-CB 3.74Å; A802-V832 HydrophobicContact CB-CG1 3.55Å; A802-V832 WeakPolarHBondContact CB-O 3.39Å; A802-V835 HydrophobicContact CB-CG1 3.97Å; A802-V835 HydrophobicContact CB-CG2 3.94Å
803	D	96.1	Very high	97.3	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.032	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	163.3	-175.8	75.4	25.6	0	0	0	115.3	D786 I787 F805 G806 K807 Q809 V832	D786-D803 CarbonylContact O-C 3.52Å; D786-D803 WeakPolarHBondContact O-CA 3.3Å; D786-D803 VanDerWaalsContact O-CB 3.24Å; D786-D803 WeakPolarHBondContact O-CB 3.34Å; I787-D803 HydrophobicContact CD1-CB 3.86Å; D803-F805 HydrophobicContact CB-CD2 4.28Å; D803-F805 PolarHBondContact O-N 2.69Å; D803-F805 VanDerWaalsContact O-N 3.17Å; D803-F805 WeakPolarHBondContact OD1-CA 3.25Å; D803-F805 WeakPolarHBondContact OD1-CB 3.34Å; D803-F805 PolarHBondContact OD1-N 3.22Å; D803-G806 PolarHBondContact OD1-N 2.66Å; D803-K807 PolarHBondContact N-O 3.24Å; D803-K807 VanDerWaalsContact N-O 3.14Å; D803-K807 WeakPolarHBondContact OD1-CB 3.31Å; D803-K807 PolarHBondContact OD1-N 3.31Å; D803-K807 WeakPolarHBondContact OD2-CB 3.27Å; D803-Q809 PolarHBondContact OD2-NE2 3.43Å; D803-V832 PolarHBondContact O-N 3.33Å
804	D	94.6	Very high	97.2	Very high	39 Å²	39	29 Å²	29	21%	0.209	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-7.1	177.1	-97.6	-2.9	0	0	0	113.7	D786 N788 H831	D786-D804 PolarHBondContact O-N 3.41Å; N788-D804 PolarHBondContact ND2-OD1 2.94Å; D804-H831 PolarHBondContact O-ND1 2.97Å; D804-H831 WeakPolarHBondContact OD1-CB 3.31Å; D804-H831 IonicContact OD1-CD2 3.37Å; D804-H831 IonicContact OD1-CE1 3.23Å; D804-H831 IonicContact OD1-CG 3.94Å; D804-H831 VanDerWaalsContact OD1-CG 3.26Å; D804-H831 IonicContact OD1-ND1 3.85Å; D804-H831 PolarHBondContact OD1-ND1 2.98Å
805	F	94.1	Very high	97.1	Very high	68 Å²	68	24.3 Å²	24.3	30%	0.298	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	16.1	-175.3	-46.7	-67.5	0	0	0	112.9	K341 D786 D803 K807	K341-F805 HydrophobicContact CB-CD1 3.99Å; K341-F805 HydrophobicContact CB-CD2 4.13Å; K341-F805 HydrophobicContact CB-CE1 4.18Å; K341-F805 HydrophobicContact CB-CE2 4.31Å; K341-F805 HydrophobicContact CB-CG 3.96Å; K341-F805 HydrophobicContact CB-CZ 4.34Å; D786-F805 HydrophobicContact CB-CE2 4.11Å; D786-F805 HydrophobicContact CB-CZ 4.44Å; D803-F805 HydrophobicContact CB-CD2 4.28Å; D803-F805 PolarHBondContact O-N 2.69Å; D803-F805 VanDerWaalsContact O-N 3.17Å; D803-F805 WeakPolarHBondContact OD1-CA 3.25Å; D803-F805 WeakPolarHBondContact OD1-CB 3.34Å; D803-F805 PolarHBondContact OD1-N 3.22Å; F805-K807 VanDerWaalsContact C-N 3.35Å; F805-K807 PolarHBondContact O-NZ 2.82Å
806	G	95.7	Very high	97	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	11%	0.114	C	C	.	.	S	Bend	trans	68.6	32	179	0	0	0	0	0	113.1	D803 S830	D803-G806 PolarHBondContact OD1-N 2.66Å; G806-S830 WeakPolarHBondContact CA-O 3.38Å; G806-S830 PolarHBondContact N-O 2.75Å
807	K	97.1	Very high	96.9	Very high	42 Å²	42	19 Å²	19	18%	0.183	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.3	175.1	-46.6	-68.8	159.9	-87.8	0	111.9	D803 F805 E824 Y825 V832	D803-K807 PolarHBondContact N-O 3.24Å; D803-K807 VanDerWaalsContact N-O 3.14Å; D803-K807 WeakPolarHBondContact OD1-CB 3.31Å; D803-K807 PolarHBondContact OD1-N 3.31Å; D803-K807 WeakPolarHBondContact OD2-CB 3.27Å; F805-K807 VanDerWaalsContact C-N 3.35Å; F805-K807 PolarHBondContact O-NZ 2.82Å; K807-E824 HydrophobicContact CB-CG 3.96Å; K807-E824 HydrophobicContact CD-CG 3.92Å; K807-E824 WeakPolarHBondContact CD-OE1 3.32Å; K807-E824 HydrophobicContact CG-CG 3.94Å; K807-Y825 VanDerWaalsContact CA-O 3.3Å; K807-Y825 WeakPolarHBondContact CA-O 3.12Å; K807-V832 WeakPolarHBondContact O-CG2 3.37Å
808	V	98.6	Very high	96.7	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.9	158.9	176.2	0	0	0	0	106.6	L266 S801 Y825 V832 V835 L844 W857	L266-V808 HydrophobicContact CD1-CG1 3.74Å; S801-V808 WeakPolarHBondContact O-CA 3.35Å; V808-Y825 PolarHBondContact N-O 3.38Å; V808-Y825 PolarHBondContact O-N 2.56Å; V808-V832 HydrophobicContact CG2-CG1 4.03Å; V808-V832 HydrophobicContact CG2-CG2 4.49Å; V808-V835 HydrophobicContact CG1-CG1 4.34Å; V808-V835 HydrophobicContact CG2-CG1 4.27Å; V808-L844 HydrophobicContact CG1-CD2 3.61Å; V808-W857 HydrophobicContact CG2-CZ2 4.06Å
809	Q	98.4	Very high	96.3	Very high	24 Å²	24	24.9 Å²	24.9	11%	0.112	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139	176.9	-64.8	-175.7	55.9	0	0	110.5	A800 S801 D803 F811 S822 H823 E824	A800-Q809 CarbonylContact C-O 3.59Å; A800-Q809 VanDerWaalsContact CA-O 3.28Å; A800-Q809 WeakPolarHBondContact CA-O 3.48Å; S801-Q809 PolarHBondContact N-O 3.32Å; S801-Q809 PolarHBondContact O-N 2.84Å; D803-Q809 PolarHBondContact OD2-NE2 3.43Å; Q809-F811 HydrophobicContact CB-CD2 4.38Å; Q809-F811 HydrophobicContact CB-CE2 3.57Å; Q809-F811 HydrophobicContact CB-CZ 4.11Å; Q809-S822 PolarHBondContact OE1-OG 2.93Å; Q809-H823 WeakPolarHBondContact CA-O 3.43Å; Q809-E824 HydrophobicContact CG-CB 4.49Å; Q809-E824 HydrophobicContact CG-CG 4.22Å
810	L	98.7	Very high	96.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.1	178	-169.5	72.8	0	0	0	110.8	P262 K264 L266 L798 A800 S822 H823 Y825 F837	P262-L810 HydrophobicContact CG-CD2 4.35Å; P262-L810 HydrophobicContact CG-CG 4.17Å; P262-L810 WeakPolarHBondContact CG-O 3.39Å; K264-L810 WeakPolarHBondContact O-CD2 3.29Å; L266-L810 HydrophobicContact CD2-CD1 4.46Å; L266-L810 HydrophobicContact CD2-CD2 4.22Å; L266-L810 HydrophobicContact CG-CB 4.45Å; L266-L810 HydrophobicContact CG-CD2 4.14Å; L798-L810 HydrophobicContact CB-CD1 4.2Å; L798-L810 HydrophobicContact CD1-CD1 4.33Å; L798-L810 HydrophobicContact CD1-CD2 4.44Å; L798-L810 HydrophobicContact CD2-CD2 4.43Å; A800-L810 HydrophobicContact CB-CD1 4.27Å; L810-S822 WeakPolarHBondContact O-CA 3.44Å; L810-S822 WeakPolarHBondContact O-CB 3.49Å; L810-H823 PolarHBondContact N-O 3.37Å; L810-H823 PolarHBondContact O-N 3.29Å; L810-Y825 HydrophobicContact CB-CE2 3.92Å; L810-F837 HydrophobicContact CD1-CZ 3.87Å
811	F	98.5	Very high	96	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163.3	-179.7	-56.4	-103.9	0	0	0	110.5	I777 L799 Q809 A820	I777-F811 HydrophobicContact CB-CE2 4.05Å; I777-F811 HydrophobicContact CB-CZ 3.96Å; I777-F811 HydrophobicContact CG2-CD1 4.47Å; I777-F811 HydrophobicContact CG2-CD2 3.85Å; I777-F811 HydrophobicContact CG2-CE1 4.33Å; I777-F811 HydrophobicContact CG2-CE2 3.72Å; I777-F811 HydrophobicContact CG2-CG 4.24Å; I777-F811 HydrophobicContact CG2-CZ 3.98Å; L799-F811 HydrophobicContact CB-CB 4.36Å; L799-F811 PolarHBondContact N-O 2.52Å; L799-F811 PolarHBondContact O-N 3.3Å; Q809-F811 HydrophobicContact CB-CD2 4.38Å; Q809-F811 HydrophobicContact CB-CE2 3.57Å; Q809-F811 HydrophobicContact CB-CZ 4.11Å; F811-A820 HydrophobicContact CD1-CB 3.85Å; F811-A820 HydrophobicContact CE1-CB 4.13Å
812	A	97.5	Very high	95.9	Very high	26 Å²	26	29.6 Å²	29.6	22%	0.215	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.7	163.6	0	0	0	0	0	110.5	P262	P262-A812 HydrophobicContact CB-CB 4.31Å
813	F	96.4	Very high	95.9	Very high	48 Å²	48	31 Å²	31	21%	0.211	16%	0.162	C	C	.	.	S	Bend	trans	-102.9	141.8	171.9	-172.7	-91.8	0	0	0	111	R792 G796 S797 L799	R792-F813 HydrophobicContact CB-CD2 4.4Å; R792-F813 HydrophobicContact CB-CE2 4.45Å; R792-F813 VanDerWaalsContact CD-CE1 3.47Å; R792-F813 VanDerWaalsContact CD-CZ 3.44Å; R792-F813 HydrophobicContact CG-CB 4.4Å; R792-F813 HydrophobicContact CG-CD1 4.12Å; R792-F813 HydrophobicContact CG-CD2 3.73Å; R792-F813 HydrophobicContact CG-CE1 4.32Å; R792-F813 HydrophobicContact CG-CE2 3.94Å; R792-F813 HydrophobicContact CG-CG 3.81Å; R792-F813 HydrophobicContact CG-CZ 4.23Å; G796-F813 VanDerWaalsContact O-CD1 3.23Å; G796-F813 WeakPolarHBondContact O-CD1 3.23Å; S797-F813 PolarHBondContact O-N 2.81Å; L799-F813 HydrophobicContact CB-CB 4.36Å; L799-F813 HydrophobicContact CB-CD2 4.25Å; L799-F813 HydrophobicContact CD1-CD2 3.96Å; L799-F813 HydrophobicContact CD1-CE2 4.37Å; L799-F813 HydrophobicContact CG-CD2 4.48Å
814	P	95.3	Very high	96	Very high	60 Å²	60	35.5 Å²	35.5	39%	0.39	18%	0.183	S	C	.	.	S	Bend	cis	-74	140.8	-5.2	32	-35.9	0	0	0	112.9	S816	P814-S816 VanDerWaalsContact C-N 3.3Å; P814-S816 PolarHBondContact O-N 3Å; P814-S816 VanDerWaalsContact O-N 3.16Å
815	C	96	Very high	96.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.02	18%	0.179	C	C	.	.			trans	-92.1	65.3	178.6	-164.6	0	0	0	0	109.9	S773 T774 F775 G776 I777 L799 A820	S773-C815 PolarHBondContact O-N 3.44Å; T774-C815 CarbonylContact C-O 3.57Å; F775-C815 PolarHBondContact N-O 3.18Å; G776-C815 WeakPolarHBondContact CA-O 3.49Å; G776-C815 PolarHBondContact N-O 3.47Å; I777-C815 HydrophobicContact CG2-CB 4.36Å; L799-C815 HydrophobicContact CD2-CB 3.42Å; L799-C815 VanDerWaalsContact CD2-CB 3.42Å; C815-A820 WeakPolarHBondContact SG-CB 3.38Å
816	S	95.1	Very high	96.3	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.049	18%	0.18	C	C	.	.			trans	-104.1	21.8	-169.8	-61.7	0	0	0	0	114.6	F253 F772 S773 F775 P814	F253-S816 WeakPolarHBondContact CE2-O 3.34Å; F772-S816 WeakPolarHBondContact O-CA 3.27Å; F772-S816 VanDerWaalsContact O-CB 3.29Å; F772-S816 WeakPolarHBondContact O-CB 3.47Å; F772-S816 PolarHBondContact O-OG 3.11Å; S773-S816 WeakPolarHBondContact CA-OG 3.49Å; F775-S816 WeakPolarHBondContact CE1-O 3.19Å; F775-S816 WeakPolarHBondContact CZ-O 3.42Å; P814-S816 VanDerWaalsContact C-N 3.3Å; P814-S816 PolarHBondContact O-N 3Å; P814-S816 VanDerWaalsContact O-N 3.16Å
817	Q	93.9	Very high	96.3	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.051	18%	0.18	C	C	.	.	S	Bend	trans	-129.7	138.9	179.5	-65.1	-65	-3.5	0	0	111.1	N254 V259 G776 A820	N254-Q817 PolarHBondContact O-NE2 2.89Å; N254-Q817 PolarHBondContact O-OE1 2.98Å; V259-Q817 HydrophobicContact CG2-CB 3.59Å; V259-Q817 HydrophobicContact CG2-CG 3.46Å; V259-Q817 VanDerWaalsContact CG2-CG 3.46Å; G776-Q817 WeakPolarHBondContact CA-O 3.45Å; Q817-A820 PolarHBondContact O-N 2.83Å
818	P	92.1	Very high	96.4	Very high	30 Å²	30	31.7 Å²	31.7	20%	0.195	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	143.9	179.1	29.3	-35	0	0	0	110.7	C223 L255 F775 A820	C223-P818 HydrophobicContact CB-CB 4.37Å; L255-P818 HydrophobicContact CD2-CG 4.2Å; F775-P818 HydrophobicContact CE2-CB 4.44Å; P818-A820 VanDerWaalsContact C-N 3.33Å
819	R	90.4	Very high	96.2	Very high	153 Å²	153	32.6 Å²	32.6	58%	0.577	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	43.7	-175.7	-56.6	174.5	-96.6	-131.7	4.1	112.6	D780	D780-R819 WeakPolarHBondContact OD1-CG 3.33Å; D780-R819 IonicContact OD1-NH1 3.81Å; D780-R819 VanDerWaalsContact OD2-CD 3.26Å; D780-R819 WeakPolarHBondContact OD2-CD 3.31Å; D780-R819 IonicContact OD2-CZ 3.61Å; D780-R819 IonicContact OD2-NE 3.34Å; D780-R819 IonicContact OD2-NH1 2.66Å; D780-R819 PolarHBondContact OD2-NH1 3.17Å
820	A	94.4	Very high	95.9	Very high	16 Å²	16	32.7 Å²	32.7	13%	0.132	18%	0.182	C	C	.	.			trans	-59.2	137.7	175	0	0	0	0	0	110.3	G776 F811 C815 Q817 P818	G776-A820 WeakPolarHBondContact O-CB 3.23Å; G776-A820 PolarHBondContact O-N 2.9Å; F811-A820 HydrophobicContact CD1-CB 3.85Å; F811-A820 HydrophobicContact CE1-CB 4.13Å; C815-A820 WeakPolarHBondContact SG-CB 3.38Å; Q817-A820 PolarHBondContact O-N 2.83Å; P818-A820 VanDerWaalsContact C-N 3.33Å
821	P	96.1	Very high	95.7	Very high	46 Å²	46	35.8 Å²	35.8	30%	0.299	20%	0.196	S	C	.	.			trans	-77.5	139.7	179	33.3	-35.3	0	0	0	110.7	V259 L261	V259-P821 WeakPolarHBondContact O-CG 3.43Å; L261-P821 HydrophobicContact CD2-CB 3.78Å; L261-P821 HydrophobicContact CD2-CG 4.42Å; L261-P821 HydrophobicContact CG-CB 4.02Å; L261-P821 HydrophobicContact CG-CG 4.37Å
822	S	97.3	Very high	95.7	Very high	36 Å²	36	35.6 Å²	35.6	25%	0.252	20%	0.196	S	C	.	.			trans	-128.6	160.9	178.6	56.3	0	0	0	0	112.4	L261 Q809 L810	L261-S822 VanDerWaalsContact CD2-C 3.4Å; L261-S822 WeakPolarHBondContact CD2-O 3.46Å; Q809-S822 PolarHBondContact OE1-OG 2.93Å; L810-S822 WeakPolarHBondContact O-CA 3.44Å; L810-S822 WeakPolarHBondContact O-CB 3.49Å
823	H	98.1	Very high	95.8	Very high	30 Å²	30	34.5 Å²	34.5	14%	0.139	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.2	156.1	-52.5	-66.3	0	0	0	108.2	P262 K264 Q809 L810 Y825	P262-H823 PolarHBondContact O-NE2 3.41Å; K264-H823 PolarHBondContact O-CD2 2.68Å; K264-H823 PolarHBondContact O-NE2 3.12Å; Q809-H823 WeakPolarHBondContact CA-O 3.43Å; L810-H823 PolarHBondContact N-O 3.37Å; L810-H823 PolarHBondContact O-N 3.29Å; H823-Y825 HydrophobicContact CB-CE2 3.62Å; H823-Y825 WeakPolarHBondContact CB-OH 3.26Å; H823-Y825 WeakPolarHBondContact O-CD2 3.39Å; H823-Y825 VanDerWaalsContact O-CE2 3.3Å; H823-Y825 WeakPolarHBondContact O-CE2 3.37Å
824	E	97.2	Very high	95.9	Very high	101 Å²	101	34.1 Å²	34.1	47%	0.472	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.2	-179.4	-167.5	-170.2	104.7	0	0	110.2	K341 K807 Q809	K341-E824 IonicContact NZ-OE2 2.72Å; K341-E824 PolarHBondContact NZ-OE2 3.21Å; K807-E824 HydrophobicContact CB-CG 3.96Å; K807-E824 HydrophobicContact CD-CG 3.92Å; K807-E824 WeakPolarHBondContact CD-OE1 3.32Å; K807-E824 HydrophobicContact CG-CG 3.94Å; Q809-E824 HydrophobicContact CG-CB 4.49Å; Q809-E824 HydrophobicContact CG-CG 4.22Å
825	Y	98.1	Very high	96.1	Very high	34 Å²	34	31.4 Å²	31.4	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	-178.1	-54.7	-82.4	0	0	0	110.8	K265 L266 K807 V808 L810 H823 W857	K265-Y825 WeakPolarHBondContact CA-OH 3.36Å; K265-Y825 WeakPolarHBondContact CB-OH 3.29Å; L266-Y825 HydrophobicContact CB-CD1 4.07Å; L266-Y825 HydrophobicContact CB-CD2 4.01Å; L266-Y825 HydrophobicContact CB-CE1 3.79Å; L266-Y825 HydrophobicContact CB-CE2 3.71Å; L266-Y825 HydrophobicContact CB-CG 4.18Å; L266-Y825 HydrophobicContact CD1-CD2 3.76Å; L266-Y825 HydrophobicContact CD1-CE2 3.84Å; L266-Y825 HydrophobicContact CD1-CG 4.42Å; L266-Y825 HydrophobicContact CG-CD2 4.11Å; L266-Y825 HydrophobicContact CG-CE2 3.72Å; L266-Y825 PolarHBondContact N-OH 3.44Å; L266-Y825 WeakPolarHBondContact O-CE1 3.41Å; K807-Y825 VanDerWaalsContact CA-O 3.3Å; K807-Y825 WeakPolarHBondContact CA-O 3.12Å; V808-Y825 PolarHBondContact N-O 3.38Å; V808-Y825 PolarHBondContact O-N 2.56Å; L810-Y825 HydrophobicContact CB-CE2 3.92Å; H823-Y825 HydrophobicContact CB-CE2 3.62Å; H823-Y825 WeakPolarHBondContact CB-OH 3.26Å; H823-Y825 WeakPolarHBondContact O-CD2 3.39Å; H823-Y825 VanDerWaalsContact O-CE2 3.3Å; H823-Y825 WeakPolarHBondContact O-CE2 3.37Å; Y825-W857 HydrophobicContact CG-CZ3 4.46Å
826	G	96.6	Very high	96.2	Very high	31 Å²	31	31.7 Å²	31.7	32%	0.32	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	159.2	178.1	0	0	0	0	0	112.9
827	G	97.1	Very high	96.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	17%	0.169	C	C	.	.			trans	164.9	-43	176.3	0	0	0	0	0	110.7	A296 S297 V298	A296-G827 WeakPolarHBondContact CB-O 3.32Å; S297-G827 PolarHBondContact N-O 2.81Å; S297-G827 VanDerWaalsContact N-O 3.11Å; S297-G827 VanDerWaalsContact OG-C 3.28Å; S297-G827 PolarHBondContact OG-O 2.86Å; V298-G827 VanDerWaalsContact CG2-CA 3.5Å; V298-G827 WeakPolarHBondContact CG2-O 3.34Å
828	H	98.3	Very high	96.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	17%	0.166	C	C	.	.			trans	-58.6	142.9	161.9	-69.6	-58.5	0	0	0	111.5	V832 S846 T847 G848 D851 S853 L855	H828-V832 HydrophobicContact CB-CG2 3.82Å; H828-S846 PolarHBondContact NE2-OG 2.73Å; H828-T847 VanDerWaalsContact CE1-C 3.44Å; H828-G848 WeakPolarHBondContact CE1-CA 3.29Å; H828-G848 PolarHBondContact CE1-N 2.92Å; H828-G848 WeakPolarHBondContact ND1-CA 3.32Å; H828-D851 WeakPolarHBondContact CA-OD2 3.26Å; H828-D851 VanDerWaalsContact CB-OD2 3.32Å; H828-D851 WeakPolarHBondContact CB-OD2 3.47Å; H828-D851 IonicContact CG-OD2 3.02Å; H828-D851 IonicContact ND1-OD1 3.29Å; H828-D851 IonicContact ND1-OD2 2.72Å; H828-D851 PolarHBondContact ND1-OD2 3.32Å; H828-S853 PolarHBondContact CE1-OG 3.35Å; H828-S853 PolarHBondContact ND1-OG 2.91Å; H828-S853 VanDerWaalsContact ND1-OG 3.13Å; H828-L855 WeakPolarHBondContact CE1-CD1 3.2Å; H828-L855 WeakPolarHBondContact ND1-CD1 3.33Å
829	S	94.9	Very high	96.8	Very high	20 Å²	20	32 Å²	32	14%	0.14	17%	0.169	C	C	.	.	S	Bend	trans	-110.3	-21.4	176.6	49.8	0	0	0	0	112.8	A296 D318 D851	A296-S829 VanDerWaalsContact CA-OG 3.3Å; A296-S829 WeakPolarHBondContact CA-OG 3.26Å; D318-S829 VanDerWaalsContact OD1-CB 3.25Å; D318-S829 WeakPolarHBondContact OD1-CB 3.46Å; D318-S829 PolarHBondContact OD1-OG 2.98Å; S829-D851 PolarHBondContact N-OD2 2.55Å; S829-D851 VanDerWaalsContact OG-CB 3.26Å; S829-D851 WeakPolarHBondContact OG-CB 3.27Å
830	S	92.3	Very high	97.1	Very high	26 Å²	26	28.3 Å²	28.3	18%	0.182	16%	0.161	C	C	.	.	S	Bend	trans	-105.1	-165	170.5	-161	0	0	0	0	110.2	G806 V832	G806-S830 WeakPolarHBondContact CA-O 3.38Å; G806-S830 PolarHBondContact N-O 2.75Å; S830-V832 PolarHBondContact O-N 2.82Å
831	H	94.6	Very high	97.3	Very high	65 Å²	65	28.7 Å²	28.7	30%	0.301	16%	0.16	S	C	.	.			trans	-61.1	131	175.6	-45.7	-42.9	0	0	0	110.1	D804 T833 G848 G849	D804-H831 PolarHBondContact O-ND1 2.97Å; D804-H831 WeakPolarHBondContact OD1-CB 3.31Å; D804-H831 IonicContact OD1-CD2 3.37Å; D804-H831 IonicContact OD1-CE1 3.23Å; D804-H831 IonicContact OD1-CG 3.94Å; D804-H831 VanDerWaalsContact OD1-CG 3.26Å; D804-H831 IonicContact OD1-ND1 3.85Å; D804-H831 PolarHBondContact OD1-ND1 2.98Å; H831-T833 PolarHBondContact O-N 2.92Å; H831-G848 CarbonylContact O-C 3.57Å; H831-G849 PolarHBondContact O-N 2.94Å
832	V	98.5	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.			trans	-76	114.1	165.5	-166.3	0	0	0	0	106	N788 A802 D803 K807 V808 H828 S830 T847	N788-V832 VanDerWaalsContact CB-O 3.25Å; N788-V832 WeakPolarHBondContact CB-O 3.15Å; N788-V832 PolarHBondContact ND2-O 3.32Å; N788-V832 VanDerWaalsContact ND2-O 3.09Å; A802-V832 HydrophobicContact CB-CB 3.74Å; A802-V832 HydrophobicContact CB-CG1 3.55Å; A802-V832 WeakPolarHBondContact CB-O 3.39Å; D803-V832 PolarHBondContact O-N 3.33Å; K807-V832 WeakPolarHBondContact O-CG2 3.37Å; V808-V832 HydrophobicContact CG2-CG1 4.03Å; V808-V832 HydrophobicContact CG2-CG2 4.49Å; H828-V832 HydrophobicContact CB-CG2 3.82Å; S830-V832 PolarHBondContact O-N 2.82Å; V832-T847 CarbonylContact C-O 3.5Å; V832-T847 WeakPolarHBondContact CA-O 3.43Å; V832-T847 WeakPolarHBondContact CG1-O 3.25Å
833	T	98.6	Very high	97.5	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.151	C	C	.	.			trans	-91.5	-26.4	-168.6	48.8	0	0	0	0	113.4	L591 W592 H831 T847 G849	L591-T833 WeakPolarHBondContact O-CB 3.21Å; L591-T833 PolarHBondContact O-OG1 3.39Å; W592-T833 HydrophobicContact CD2-CG2 3.58Å; W592-T833 HydrophobicContact CE3-CG2 3.99Å; W592-T833 HydrophobicContact CG-CG2 4.09Å; W592-T833 HydrophobicContact CH2-CG2 4.06Å; W592-T833 HydrophobicContact CZ2-CG2 3.65Å; W592-T833 HydrophobicContact CZ3-CG2 4.21Å; H831-T833 PolarHBondContact O-N 2.92Å; T833-T847 PolarHBondContact N-O 2.92Å; T833-T847 PolarHBondContact OG1-O 2.76Å; T833-T847 VanDerWaalsContact OG1-O 3.12Å; T833-T847 PolarHBondContact OG1-OG1 3.27Å; T833-G849 PolarHBondContact OG1-N 2.94Å
834	N	98.8	Very high	97.5	Very high	39 Å²	39	26.1 Å²	26.1	21%	0.209	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.9	-178.5	-148.1	-19.6	0	0	0	111.8	W592 L594 S846 T847	W592-N834 PolarHBondContact O-ND2 2.9Å; W592-N834 VanDerWaalsContact O-ND2 3.11Å; L594-N834 HydrophobicContact CB-CB 4.01Å; L594-N834 HydrophobicContact CD2-CB 4.22Å; N834-S846 WeakPolarHBondContact O-CA 3.32Å; N834-T847 VanDerWaalsContact CB-OG1 3.23Å; N834-T847 WeakPolarHBondContact CB-OG1 3.48Å; N834-T847 PolarHBondContact N-OG1 3.43Å; N834-T847 PolarHBondContact O-N 3.14Å
835	V	98.8	Very high	97.6	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.4	175.1	-84.2	0	0	0	0	110.4	A789 C791 A802 V808 L844 I845	A789-V835 HydrophobicContact CB-CG2 4.13Å; C791-V835 HydrophobicContact CB-CG2 4.4Å; C791-V835 VanDerWaalsContact CB-O 3.3Å; C791-V835 WeakPolarHBondContact CB-O 3.08Å; A802-V835 HydrophobicContact CB-CG1 3.97Å; A802-V835 HydrophobicContact CB-CG2 3.94Å; V808-V835 HydrophobicContact CG1-CG1 4.34Å; V808-V835 HydrophobicContact CG2-CG1 4.27Å; V835-L844 HydrophobicContact CB-CD1 4.42Å; V835-L844 HydrophobicContact CG1-CD2 4.2Å; V835-I845 CarbonylContact C-O 3.57Å; V835-I845 VanDerWaalsContact CA-O 3.29Å; V835-I845 WeakPolarHBondContact CA-O 3.29Å
836	A	98.8	Very high	97.6	Very high	9 Å²	9	19.7 Å²	19.7	7%	0.074	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	136.9	174.3	0	0	0	0	0	111.3	L594 V596 L844 I845	L594-A836 HydrophobicContact CD2-CB 3.84Å; L594-A836 HydrophobicContact CG-CB 4.14Å; V596-A836 HydrophobicContact CG1-CB 3.79Å; A836-L844 CarbonylContact O-C 3.5Å; A836-L844 WeakPolarHBondContact O-CD1 3.48Å; A836-I845 PolarHBondContact N-O 3.22Å; A836-I845 PolarHBondContact O-N 2.75Å
837	F	98.8	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	145.8	167	-71.2	-83.7	0	0	0	109.5	V596 C791 L798 A800 L810 H843 L844 V859	V596-F837 WeakPolarHBondContact CG1-O 3.4Å; V596-F837 VanDerWaalsContact CG2-O 3.32Å; V596-F837 WeakPolarHBondContact CG2-O 3.27Å; C791-F837 HydrophobicContact CB-CD2 4.48Å; C791-F837 WeakPolarHBondContact O-CE2 3.43Å; L798-F837 HydrophobicContact CB-CZ 4.01Å; L798-F837 HydrophobicContact CD1-CE1 4.38Å; L798-F837 HydrophobicContact CD1-CZ 4.45Å; A800-F837 HydrophobicContact CB-CE2 3.77Å; A800-F837 HydrophobicContact CB-CZ 3.88Å; L810-F837 HydrophobicContact CD1-CZ 3.87Å; F837-H843 WeakPolarHBondContact CA-O 3.44Å; F837-L844 HydrophobicContact CD1-CB 4.24Å; F837-L844 HydrophobicContact CD1-CD1 3.77Å; F837-L844 HydrophobicContact CD2-CD1 3.74Å; F837-L844 HydrophobicContact CE1-CB 4.27Å; F837-L844 HydrophobicContact CE1-CD1 3.82Å; F837-L844 HydrophobicContact CE2-CD1 3.79Å; F837-L844 HydrophobicContact CG-CD1 3.73Å; F837-L844 HydrophobicContact CZ-CD1 3.84Å; F837-V859 HydrophobicContact CD1-CG2 4.22Å; F837-V859 HydrophobicContact CE1-CG2 3.98Å
838	L	98.5	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.			trans	-67.1	160.1	167.4	-61.9	-175.8	0	0	0	110.4	V596 T617 H794 D840 D841 H843 I845	V596-L838 HydrophobicContact CG1-CD2 3.93Å; T617-L838 HydrophobicContact CG2-CD1 3.84Å; T617-L838 HydrophobicContact CG2-CD2 4.08Å; H794-L838 PolarHBondContact CD2-O 2.96Å; H794-L838 PolarHBondContact NE2-O 3.12Å; L838-D840 PolarHBondContact O-N 2.87Å; L838-D841 PolarHBondContact O-N 3.18Å; L838-H843 HydrophobicContact CD1-CB 3.72Å; L838-H843 HydrophobicContact CG-CB 4.05Å; L838-H843 PolarHBondContact N-O 3.21Å; L838-I845 HydrophobicContact CD2-CD1 4.31Å; L838-I845 HydrophobicContact CD2-CG1 3.88Å
839	H	97.2	Very high	97.8	Very high	54 Å²	54	18 Å²	18	25%	0.25	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.9	-173.4	74.5	88.5	0	0	0	116.7	M600	M600-H839 PolarHBondContact N-CD2 2.86Å; M600-H839 PolarHBondContact N-NE2 2.84Å; M600-H839 PolarHBondContact O-CD2 2.68Å
840	D	97.3	Very high	97.9	Very high	76 Å²	76	23 Å²	23	41%	0.406	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	8.4	-179.8	73.3	-23.4	0	0	0	113.3	L838 S842	L838-D840 PolarHBondContact O-N 2.87Å; D840-S842 VanDerWaalsContact CG-OG 3.25Å; D840-S842 PolarHBondContact O-N 2.71Å; D840-S842 VanDerWaalsContact O-N 3.09Å; D840-S842 WeakPolarHBondContact OD1-CB 3.22Å; D840-S842 PolarHBondContact OD1-N 2.95Å; D840-S842 PolarHBondContact OD1-OG 2.88Å; D840-S842 VanDerWaalsContact OD2-CB 3.27Å; D840-S842 WeakPolarHBondContact OD2-CB 3.36Å; D840-S842 PolarHBondContact OD2-OG 2.62Å
841	D	98.3	Very high	98.1	Very high	24 Å²	24	21.9 Å²	21.9	13%	0.128	11%	0.11	C	C	.	.	S	Bend	trans	57.3	12.3	-174.4	-61.9	-47.7	0	0	0	115.4	S793 H794 D795 L838 H843 V859	S793-D841 VanDerWaalsContact CA-OD1 3.23Å; S793-D841 WeakPolarHBondContact CA-OD1 3.24Å; S793-D841 WeakPolarHBondContact CB-OD1 3.43Å; H794-D841 WeakPolarHBondContact CA-OD2 3.32Å; H794-D841 WeakPolarHBondContact CB-OD2 3.29Å; H794-D841 IonicContact CD2-OD1 1.98Å; H794-D841 PolarHBondContact CD2-OD1 3.42Å; H794-D841 IonicContact CG-OD1 3.97Å; H794-D841 VanDerWaalsContact N-CG 3.3Å; H794-D841 PolarHBondContact N-OD1 2.82Å; H794-D841 PolarHBondContact N-OD2 2.93Å; D795-D841 PolarHBondContact N-OD2 2.79Å; L838-D841 PolarHBondContact O-N 3.18Å; D841-H843 VanDerWaalsContact C-N 3.31Å; D841-H843 PolarHBondContact O-N 2.69Å; D841-V859 WeakPolarHBondContact O-CB 3.24Å; D841-V859 WeakPolarHBondContact O-CG2 3.35Å
842	S	97.6	Very high	98.2	Very high	32 Å²	32	19.5 Å²	19.5	22%	0.224	10%	0.1	C	C	.	.	S	Bend	trans	-65.4	-34.5	-179.3	61.6	0	0	0	0	113.1	D840 V859	D840-S842 VanDerWaalsContact CG-OG 3.25Å; D840-S842 PolarHBondContact O-N 2.71Å; D840-S842 VanDerWaalsContact O-N 3.09Å; D840-S842 WeakPolarHBondContact OD1-CB 3.22Å; D840-S842 PolarHBondContact OD1-N 2.95Å; D840-S842 PolarHBondContact OD1-OG 2.88Å; D840-S842 VanDerWaalsContact OD2-CB 3.27Å; D840-S842 WeakPolarHBondContact OD2-CB 3.36Å; D840-S842 PolarHBondContact OD2-OG 2.62Å; S842-V859 PolarHBondContact O-N 2.92Å
843	H	98.6	Very high	98.2	Very high	26 Å²	26	19.5 Å²	19.5	12%	0.12	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.2	-178.9	-54.5	78.2	0	0	0	111.8	Q269 F837 L838 D841 Q856 W857 V858	Q269-H843 PolarHBondContact NE2-NE2 3.5Å; Q269-H843 PolarHBondContact OE1-CD2 3.04Å; Q269-H843 PolarHBondContact OE1-NE2 2.99Å; F837-H843 WeakPolarHBondContact CA-O 3.44Å; L838-H843 HydrophobicContact CD1-CB 3.72Å; L838-H843 HydrophobicContact CG-CB 4.05Å; L838-H843 PolarHBondContact N-O 3.21Å; D841-H843 VanDerWaalsContact C-N 3.31Å; D841-H843 PolarHBondContact O-N 2.69Å; H843-Q856 HydrophobicContact CB-CG 4.28Å; H843-W857 CarbonylContact C-O 3.5Å; H843-W857 WeakPolarHBondContact CA-O 3.34Å; H843-W857 WeakPolarHBondContact CB-O 3.4Å; H843-V858 WeakPolarHBondContact NE2-CG2 3.47Å
844	L	98.9	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142	162.3	-172	80.2	0	0	0	108.7	L266 A800 V808 V835 A836 F837 W857	L266-L844 HydrophobicContact CD1-CD2 3.58Å; L266-L844 HydrophobicContact CD2-CB 4.19Å; L266-L844 HydrophobicContact CD2-CD2 4.49Å; A800-L844 HydrophobicContact CB-CD1 3.65Å; A800-L844 HydrophobicContact CB-CD2 3.72Å; A800-L844 HydrophobicContact CB-CG 4.38Å; V808-L844 HydrophobicContact CG1-CD2 3.61Å; V835-L844 HydrophobicContact CB-CD1 4.42Å; V835-L844 HydrophobicContact CG1-CD2 4.2Å; A836-L844 CarbonylContact O-C 3.5Å; A836-L844 WeakPolarHBondContact O-CD1 3.48Å; F837-L844 HydrophobicContact CD1-CB 4.24Å; F837-L844 HydrophobicContact CD1-CD1 3.77Å; F837-L844 HydrophobicContact CD2-CD1 3.74Å; F837-L844 HydrophobicContact CE1-CB 4.27Å; F837-L844 HydrophobicContact CE1-CD1 3.82Å; F837-L844 HydrophobicContact CE2-CD1 3.79Å; F837-L844 HydrophobicContact CG-CD1 3.73Å; F837-L844 HydrophobicContact CZ-CD1 3.84Å; L844-W857 HydrophobicContact CB-CB 4.31Å; L844-W857 PolarHBondContact N-O 2.86Å; L844-W857 VanDerWaalsContact O-CD1 3.32Å; L844-W857 PolarHBondContact O-N 3.32Å
845	I	98.9	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.7	169	-51.8	-59.5	0	0	0	108.5	L594 F603 T617 V835 A836 L838 I854 L855 Q856	L594-I845 HydrophobicContact CD1-CB 4.2Å; L594-I845 HydrophobicContact CD1-CG2 3.65Å; L594-I845 HydrophobicContact CD2-CB 4.29Å; L594-I845 HydrophobicContact CD2-CG2 4.18Å; F603-I845 HydrophobicContact CD1-CD1 3.96Å; F603-I845 HydrophobicContact CD1-CG1 4.02Å; F603-I845 HydrophobicContact CD2-CG2 4.03Å; F603-I845 HydrophobicContact CE1-CD1 3.91Å; F603-I845 HydrophobicContact CE1-CG1 4.38Å; F603-I845 HydrophobicContact CE2-CG2 3.97Å; F603-I845 HydrophobicContact CG-CG1 4.18Å; F603-I845 HydrophobicContact CG-CG2 4.37Å; F603-I845 HydrophobicContact CZ-CD1 4.48Å; F603-I845 HydrophobicContact CZ-CG2 4.26Å; T617-I845 HydrophobicContact CG2-CD1 4.45Å; V835-I845 CarbonylContact C-O 3.57Å; V835-I845 VanDerWaalsContact CA-O 3.29Å; V835-I845 WeakPolarHBondContact CA-O 3.29Å; A836-I845 PolarHBondContact N-O 3.22Å; A836-I845 PolarHBondContact O-N 2.75Å; L838-I845 HydrophobicContact CD2-CD1 4.31Å; L838-I845 HydrophobicContact CD2-CG1 3.88Å; I845-I854 HydrophobicContact CG2-CG2 3.5Å; I845-I854 VanDerWaalsContact CG2-CG2 3.5Å; I845-L855 WeakPolarHBondContact CA-O 3.27Å; I845-Q856 HydrophobicContact CD1-CB 3.79Å; I845-Q856 HydrophobicContact CD1-CG 3.74Å
846	S	98.9	Very high	98.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146	172.8	67.5	0	0	0	0	112.4	H828 N834 I854 L855 W857	H828-S846 PolarHBondContact NE2-OG 2.73Å; N834-S846 WeakPolarHBondContact O-CA 3.32Å; S846-I854 CarbonylContact O-C 3.45Å; S846-I854 VanDerWaalsContact O-CA 3.31Å; S846-I854 WeakPolarHBondContact O-CA 3.39Å; S846-I854 WeakPolarHBondContact O-CG2 3.45Å; S846-L855 PolarHBondContact N-O 2.54Å; S846-L855 PolarHBondContact O-N 2.63Å; S846-W857 PolarHBondContact OG-NE1 3.16Å
847	T	98.8	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.1	177.6	56.2	0	0	0	0	112.2	L591 L594 T605 H828 V832 T833 N834 I854	L591-T847 HydrophobicContact CD1-CG2 4.4Å; L591-T847 HydrophobicContact CD2-CG2 3.6Å; L591-T847 HydrophobicContact CG-CG2 3.82Å; L594-T847 HydrophobicContact CB-CG2 4.04Å; L594-T847 HydrophobicContact CD1-CG2 4.5Å; L594-T847 HydrophobicContact CD2-CG2 4.3Å; T605-T847 HydrophobicContact CG2-CG2 4.28Å; H828-T847 VanDerWaalsContact CE1-C 3.44Å; V832-T847 CarbonylContact C-O 3.5Å; V832-T847 WeakPolarHBondContact CA-O 3.43Å; V832-T847 WeakPolarHBondContact CG1-O 3.25Å; T833-T847 PolarHBondContact N-O 2.92Å; T833-T847 PolarHBondContact OG1-O 2.76Å; T833-T847 VanDerWaalsContact OG1-O 3.12Å; T833-T847 PolarHBondContact OG1-OG1 3.27Å; N834-T847 VanDerWaalsContact CB-OG1 3.23Å; N834-T847 WeakPolarHBondContact CB-OG1 3.48Å; N834-T847 PolarHBondContact N-OG1 3.43Å; N834-T847 PolarHBondContact O-N 3.14Å; T847-I854 HydrophobicContact CG2-CG1 4.44Å
848	G	97.9	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.			trans	-104.9	22.3	-168.6	0	0	0	0	0	117.3	H828 H831 K850 D851 S853	H828-G848 WeakPolarHBondContact CE1-CA 3.29Å; H828-G848 PolarHBondContact CE1-N 2.92Å; H828-G848 WeakPolarHBondContact ND1-CA 3.32Å; H831-G848 CarbonylContact O-C 3.57Å; G848-K850 PolarHBondContact O-N 2.81Å; G848-D851 WeakPolarHBondContact CA-OD1 3.45Å; G848-D851 PolarHBondContact O-N 3.05Å; G848-S853 PolarHBondContact N-O 3.03Å
849	G	98	Very high	98.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	54.4	-115.5	178.3	0	0	0	0	0	112.3	E590 L591 H831 T833 D851 T852	E590-G849 WeakPolarHBondContact CA-O 3.48Å; L591-G849 PolarHBondContact N-O 2.8Å; L591-G849 VanDerWaalsContact O-CA 3.27Å; L591-G849 WeakPolarHBondContact O-CA 3.25Å; L591-G849 PolarHBondContact O-N 3.07Å; H831-G849 PolarHBondContact O-N 2.94Å; T833-G849 PolarHBondContact OG1-N 2.94Å; G849-D851 VanDerWaalsContact C-N 3.32Å; G849-D851 PolarHBondContact O-N 3.2Å; G849-T852 PolarHBondContact O-N 2.95Å
850	K	97.2	Very high	97.9	Very high	125 Å²	125	21.6 Å²	21.6	54%	0.543	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.1	-175.9	-64	176	-177.7	167.5	0	114.3	E590 G848 T852	E590-K850 HydrophobicContact CB-CG 4.02Å; E590-K850 HydrophobicContact CG-CG 3.73Å; E590-K850 WeakPolarHBondContact OE2-CE 3.44Å; E590-K850 IonicContact OE2-NZ 3.89Å; G848-K850 PolarHBondContact O-N 2.81Å; K850-T852 PolarHBondContact O-N 2.83Å
851	D	96.6	Very high	98	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.1	170.1	79.6	29.7	0	0	0	112.7	N295 A296 H828 S829 G848 G849 S853	N295-D851 PolarHBondContact OD1-O 2.85Å; A296-D851 HydrophobicContact CB-CB 3.7Å; A296-D851 VanDerWaalsContact CB-CG 3.47Å; A296-D851 WeakPolarHBondContact CB-OD2 3.4Å; H828-D851 WeakPolarHBondContact CA-OD2 3.26Å; H828-D851 VanDerWaalsContact CB-OD2 3.32Å; H828-D851 WeakPolarHBondContact CB-OD2 3.47Å; H828-D851 IonicContact CG-OD2 3.02Å; H828-D851 IonicContact ND1-OD1 3.29Å; H828-D851 IonicContact ND1-OD2 2.72Å; H828-D851 PolarHBondContact ND1-OD2 3.32Å; S829-D851 PolarHBondContact N-OD2 2.55Å; S829-D851 VanDerWaalsContact OG-CB 3.26Å; S829-D851 WeakPolarHBondContact OG-CB 3.27Å; G848-D851 WeakPolarHBondContact CA-OD1 3.45Å; G848-D851 PolarHBondContact O-N 3.05Å; G849-D851 VanDerWaalsContact C-N 3.32Å; G849-D851 PolarHBondContact O-N 3.2Å; D851-S853 PolarHBondContact O-N 3.39Å; D851-S853 VanDerWaalsContact O-N 3.13Å; D851-S853 VanDerWaalsContact OD1-CB 3.28Å; D851-S853 WeakPolarHBondContact OD1-CB 3.22Å; D851-S853 PolarHBondContact OD1-N 2.69Å; D851-S853 PolarHBondContact OD1-OG 3.26Å
852	T	97.7	Very high	98	Very high	14 Å²	14	18.6 Å²	18.6	9%	0.086	11%	0.11	C	C	.	.			trans	63.6	5.8	176.2	70.1	0	0	0	0	116	N569 H587 G849 K850	N569-T852 PolarHBondContact ND2-OG1 3.49Å; H587-T852 WeakPolarHBondContact O-CB 3.43Å; G849-T852 PolarHBondContact O-N 2.95Å; K850-T852 PolarHBondContact O-N 2.83Å
853	S	98.3	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.			trans	-89.8	155.1	-178.1	72.1	0	0	0	0	113.3	N295 H828 G848 D851 L855	N295-S853 WeakPolarHBondContact ND2-CB 3.36Å; H828-S853 PolarHBondContact CE1-OG 3.35Å; H828-S853 PolarHBondContact ND1-OG 2.91Å; H828-S853 VanDerWaalsContact ND1-OG 3.13Å; G848-S853 PolarHBondContact N-O 3.03Å; D851-S853 PolarHBondContact O-N 3.39Å; D851-S853 VanDerWaalsContact O-N 3.13Å; D851-S853 VanDerWaalsContact OD1-CB 3.28Å; D851-S853 WeakPolarHBondContact OD1-CB 3.22Å; D851-S853 PolarHBondContact OD1-N 2.69Å; D851-S853 PolarHBondContact OD1-OG 3.26Å; S853-L855 VanDerWaalsContact OG-CD1 3.27Å; S853-L855 WeakPolarHBondContact OG-CD1 3.44Å
854	I	98.9	Very high	97.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.9	163.7	-50.1	151.2	0	0	0	106	Y272 L591 F603 T605 W615 I845 S846 T847	Y272-I854 HydrophobicContact CD2-CB 4.07Å; Y272-I854 HydrophobicContact CD2-CG2 4.24Å; Y272-I854 HydrophobicContact CG-CB 4.34Å; Y272-I854 PolarHBondContact N-O 3.28Å; L591-I854 HydrophobicContact CD2-CD1 4.27Å; L591-I854 HydrophobicContact CD2-CG1 3.55Å; F603-I854 HydrophobicContact CE2-CD1 4.28Å; F603-I854 HydrophobicContact CE2-CG2 3.92Å; F603-I854 HydrophobicContact CZ-CG2 4.1Å; T605-I854 HydrophobicContact CG2-CD1 3.76Å; T605-I854 HydrophobicContact CG2-CG1 4.17Å; W615-I854 HydrophobicContact CZ2-CD1 3.77Å; I845-I854 HydrophobicContact CG2-CG2 3.5Å; I845-I854 VanDerWaalsContact CG2-CG2 3.5Å; S846-I854 CarbonylContact O-C 3.45Å; S846-I854 VanDerWaalsContact O-CA 3.31Å; S846-I854 WeakPolarHBondContact O-CA 3.39Å; S846-I854 WeakPolarHBondContact O-CG2 3.45Å; T847-I854 HydrophobicContact CG2-CG1 4.44Å
855	L	98.9	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	175.5	-73.5	87.6	0	0	0	109.9	L268 W270 V271 V298 H828 I845 S846 S853 W857	L268-L855 HydrophobicContact CD1-CB 3.89Å; L268-L855 HydrophobicContact CD1-CD2 3.65Å; L268-L855 HydrophobicContact CD1-CG 4.02Å; L268-L855 HydrophobicContact CD2-CD2 3.88Å; L268-L855 HydrophobicContact CG-CD2 4.42Å; W270-L855 WeakPolarHBondContact O-CA 3.32Å; V271-L855 HydrophobicContact CG2-CD2 4.15Å; V271-L855 HydrophobicContact CG2-CG 4.1Å; V298-L855 HydrophobicContact CG2-CD2 4.22Å; H828-L855 WeakPolarHBondContact CE1-CD1 3.2Å; H828-L855 WeakPolarHBondContact ND1-CD1 3.33Å; I845-L855 WeakPolarHBondContact CA-O 3.27Å; S846-L855 PolarHBondContact N-O 2.54Å; S846-L855 PolarHBondContact O-N 2.63Å; S853-L855 VanDerWaalsContact OG-CD1 3.27Å; S853-L855 WeakPolarHBondContact OG-CD1 3.44Å; L855-W857 HydrophobicContact CB-CZ2 3.78Å; L855-W857 HydrophobicContact CD2-CH2 3.97Å; L855-W857 HydrophobicContact CD2-CZ2 3.74Å; L855-W857 HydrophobicContact CG-CZ2 4.33Å; L855-W857 PolarHBondContact O-NE1 3.21Å
856	Q	98.8	Very high	97.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	174.6	174.2	173.1	-36.1	0	0	109.1	Q269 W270 Y272 T617 H620 H843 I845	Q269-Q856 PolarHBondContact N-O 3.34Å; W270-Q856 HydrophobicContact CB-CB 4.11Å; W270-Q856 PolarHBondContact N-O 2.93Å; W270-Q856 PolarHBondContact O-N 2.78Å; Y272-Q856 HydrophobicContact CE2-CB 4.1Å; Y272-Q856 PolarHBondContact OH-OE1 3.08Å; T617-Q856 PolarHBondContact O-NE2 2.83Å; H620-Q856 PolarHBondContact CE1-NE2 3.4Å; H843-Q856 HydrophobicContact CB-CG 4.28Å; I845-Q856 HydrophobicContact CD1-CB 3.79Å; I845-Q856 HydrophobicContact CD1-CG 3.74Å
857	W	98.8	Very high	97.7	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.8	-173.2	-44.3	81.7	0	0	0	109.7	L266 K267 L268 V808 Y825 H843 L844 S846 L855	L266-W857 HydrophobicContact CB-CB 4.08Å; L266-W857 HydrophobicContact CB-CE3 4.35Å; L266-W857 HydrophobicContact CD1-CB 4.35Å; L266-W857 HydrophobicContact CD1-CG 4.37Å; L266-W857 HydrophobicContact CD2-CB 4.31Å; L266-W857 HydrophobicContact CG-CB 4.47Å; K267-W857 CarbonylContact O-C 3.58Å; K267-W857 WeakPolarHBondContact O-CA 3.26Å; L268-W857 HydrophobicContact CB-CE3 3.91Å; L268-W857 HydrophobicContact CB-CZ3 3.91Å; L268-W857 HydrophobicContact CD1-CD2 4.39Å; L268-W857 HydrophobicContact CD1-CE3 4.31Å; L268-W857 HydrophobicContact CD1-CZ3 4.43Å; V808-W857 HydrophobicContact CG2-CZ2 4.06Å; Y825-W857 HydrophobicContact CG-CZ3 4.46Å; H843-W857 CarbonylContact C-O 3.5Å; H843-W857 WeakPolarHBondContact CA-O 3.34Å; H843-W857 WeakPolarHBondContact CB-O 3.4Å; L844-W857 HydrophobicContact CB-CB 4.31Å; L844-W857 PolarHBondContact N-O 2.86Å; L844-W857 VanDerWaalsContact O-CD1 3.32Å; L844-W857 PolarHBondContact O-N 3.32Å; S846-W857 PolarHBondContact OG-NE1 3.16Å; L855-W857 HydrophobicContact CB-CZ2 3.78Å; L855-W857 HydrophobicContact CD2-CH2 3.97Å; L855-W857 HydrophobicContact CD2-CZ2 3.74Å; L855-W857 HydrophobicContact CG-CZ2 4.33Å; L855-W857 PolarHBondContact O-NE1 3.21Å
858	V	98.3	Very high	97.6	Very high	44 Å²	44	22.8 Å²	22.8	27%	0.267	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.7	170.8	172.7	0	0	0	0	109.4	L266 K267 Q269 H843	L266-V858 CarbonylContact C-O 3.56Å; L266-V858 WeakPolarHBondContact CA-O 3.4Å; K267-V858 PolarHBondContact N-O 3.34Å; K267-V858 PolarHBondContact O-N 3.45Å; Q269-V858 HydrophobicContact CB-CG2 3.77Å; Q269-V858 HydrophobicContact CG-CG2 3.99Å; H843-V858 WeakPolarHBondContact NE2-CG2 3.47Å
859	V	98.1	Very high	97.6	Very high	23 Å²	23	24.7 Å²	24.7	14%	0.139	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	109	171.1	-174.4	0	0	0	0	109.3	K264 L266 L798 F837 D841 S842	K264-V859 HydrophobicContact CB-CG1 4.05Å; K264-V859 HydrophobicContact CD-CG1 4.24Å; K264-V859 HydrophobicContact CG-CG1 4.24Å; L266-V859 HydrophobicContact CD2-CG2 3.93Å; L798-V859 HydrophobicContact CD1-CG1 3.87Å; F837-V859 HydrophobicContact CD1-CG2 4.22Å; F837-V859 HydrophobicContact CE1-CG2 3.98Å; D841-V859 WeakPolarHBondContact O-CB 3.24Å; D841-V859 WeakPolarHBondContact O-CG2 3.35Å; S842-V859 PolarHBondContact O-N 2.92Å
860	A	91.9	Very high	97.6	Very high	80 Å²	80	26.8 Å²	26.8	66%	0.661	16%	0.158	S	C	*	.			trans	-106.3	0	-174.6	0	0	0	0	0	112.3	K264 K265	K264-A860 CarbonylContact C-O 3.57Å; K264-A860 WeakPolarHBondContact CA-O 3.34Å; K264-A860 VanDerWaalsContact CD-O 3.27Å; K264-A860 WeakPolarHBondContact CD-O 3.39Å; K264-A860 WeakPolarHBondContact CD-OXT 3.08Å; K264-A860 PolarHBondContact NZ-OXT 2.82Å; K265-A860 PolarHBondContact N-O 3.41Å; K265-A860 PolarHBondContact O-N 3.24Å

Retrieved 860 of 860 residues in 3407.2 ms (Link to these results)

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