A0A087XBN3_POEFO Loading...

RE1-silencing transcription factor

AlphaFold DB , UniProt , Accession A0A087XBN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 877 aa.

						>A0A087XBN3_POEFO|A0A087XBN3
MFSAGMFPVGVSLVEDGAGLSDLPRDTLPAPQLVMLANGMADEKEMMELKTVGCGYSDSEDEGVIRYSYDNQNHREVCIVEYPESPNPAAQTVATSGSREDEENPPTEKQPPSFKPRPSTVSPQPGAKGVMDGAQKKKPFCCKPCHFQGQNEQEFVEHLSTHSINKMMVVHQVEGRSKREAEHGREEEPSSEDAAAGVDTKGLIRCERCGYNTNRYDHYIAHLKHHSKEGNDHRVFKCTLCAYTTVSQYHWRKHLRNHFPSKLHTCSQCSYFSDRKSNYIQHIRTHTGVRPFQCLYCDYSSSQKTHLTRHMRTHSGERPFKCESCSYLAANQHEVTRHARQVHNGPKPLSCPYCEYKTADRSNFKKHVELHLNPRQFLCPLCKYAASKKCNLQYHIKSRHSGCNVDLDVSKVKLRVKKPGPDGPDDKSELKAATLDDSPAMEDDVDVEDDSSPINLSIRSSSGPTIKPPQLSEIPDKAAKKRNSLSEKERPVKAKEAEKKVSTRQKKVKENPVENRDGKEVQTAAGNTDVKVKRRVRKVPTGKPVSQDQSEEPASQEKQPMGPASREDQSDPKCSDQQICKDKDLKVSSYKESKKSLSKTRKSGTLKTPEQAETQKPISPEKSQKGKWVKEKPTKRKAGQILDLSQKSSKKKCLKAPAAKKLLSKTSLDSTESSPTEKVSREAPSNQKKTRTSTRKTSAVGPKPDESISETSPSLEAMKGSVQPTGSGEIAFSTDGLTQPEPDAPPSRPSEKTEGSHPTFIKPSVPPRLLLPGQRGRPADAEDDEGIHSSHEGGSDISDSASEGSDDSGLNGTGAAPGKLANDPETPTEEIPTPTELKSHTCIFCDRTFPLETQYRRHLNRHLVNVYYMDPAAPRGQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	37.7	Very low	216 Å²	216	123.5 Å²	123.5	100%	1.064	73%	0.734	S	S	*	*				0	99.6	0	-73.3	178	170.4	0	0	106.2
2	F	32.7	Very low	37.1	Very low	165 Å²	165	120.8 Å²	120.8	72%	0.724	73%	0.726	S	S	*	*				83.9	80.3	99	-85.9	-65	0	0	0	114.6	E514 R516	F2-E514 VanDerWaalsContact CA-OE2 3.26Å; F2-E514 WeakPolarHBondContact CA-OE2 3.42Å; F2-E514 PolarHBondContact N-OE2 2.88Å; F2-R516 PolarHBondContact O-NH1 3.13Å
3	S	38.8	Very low	36.8	Very low	55 Å²	55	123.2 Å²	123.2	39%	0.385	73%	0.731	S	S	.	*				49.7	173.2	99.4	-134	0	0	0	0	123.2	E514 R516	S3-E514 WeakPolarHBondContact CA-OE1 3.37Å; S3-E514 WeakPolarHBondContact CA-OE2 3.47Å; S3-E514 WeakPolarHBondContact CB-OE1 3.4Å; S3-E514 WeakPolarHBondContact CB-OE2 3.31Å; S3-E514 PolarHBondContact N-OE2 3.42Å; S3-E514 PolarHBondContact OG-OE1 3.48Å; S3-R516 PolarHBondContact O-NH1 2.93Å; S3-R516 PolarHBondContact O-NH2 2.77Å
4	A	37.3	Very low	36.8	Very low	78 Å²	78	121.6 Å²	121.6	65%	0.645	72%	0.722	S	S	*	*			trans	81.2	125.7	-167	0	0	0	0	0	114.3	R516	A4-R516 PolarHBondContact O-NH2 3.24Å
5	G	36	Very low	36.6	Very low	72 Å²	72	124.5 Å²	124.5	74%	0.742	73%	0.726	S	S	*	*			cis	133.9	158.4	3.3	0	0	0	0	0	110.5
6	M	40.2	Very low	36.5	Very low	161 Å²	161	126.8 Å²	126.8	79%	0.793	73%	0.734	S	S	*	*			cis	-170.9	136.2	-9.1	-119.7	173.7	67.9	0	0	110
7	F	31.2	Very low	36.1	Very low	172 Å²	172	123.3 Å²	123.3	75%	0.754	73%	0.732	S	S	*	*			trans	62.7	174.3	159.5	-76	-71.3	0	0	0	118.7	V9	F7-V9 HydrophobicContact CD1-CG2 4.47Å
8	P	56.3	Low	36	Very low	117 Å²	117	122.6 Å²	122.6	76%	0.76	74%	0.742	S	S	*	*			cis	-110.2	147.9	5.3	4.6	21.8	0	0	0	116.8
9	V	38.5	Very low	35.7	Very low	129 Å²	129	119.8 Å²	119.8	78%	0.782	74%	0.741	S	S	*	*				75.8	134.9	92.3	179.5	0	0	0	0	114.3	F7	F7-V9 HydrophobicContact CD1-CG2 4.47Å
10	G	31	Very low	35.4	Very low	58 Å²	58	122.3 Å²	122.3	60%	0.598	75%	0.748	S	S	*	*			cis	-155	163.7	4.2	0	0	0	0	0	112.7
11	V	33.5	Very low	35.2	Very low	136 Å²	136	121.4 Å²	121.4	82%	0.824	75%	0.747	S	S	*	*				76.3	128.5	70.9	175.9	0	0	0	0	111.1
12	S	31.6	Very low	34.8	Very low	91 Å²	91	117 Å²	117	64%	0.636	73%	0.727	S	S	*	*			cis	-149.2	146.9	36.9	-117.1	0	0	0	0	112
13	L	32.5	Very low	35.2	Very low	151 Å²	151	116.5 Å²	116.5	79%	0.791	73%	0.732	S	S	*	*				71.1	154.3	90	-88.1	66.7	0	0	0	115
14	V	37	Very low	35.5	Very low	101 Å²	101	119.2 Å²	119.2	61%	0.612	75%	0.748	S	S	*	*			cis	-156.3	157.7	13.7	85.1	0	0	0	0	113.5
15	E	34.3	Very low	35.5	Very low	166 Å²	166	126 Å²	126	78%	0.776	76%	0.757	S	S	*	*			trans	44.9	164.7	152.7	-75.9	150.7	162.8	0	0	121
16	D	33.8	Very low	35.3	Very low	160 Å²	160	128.2 Å²	128.2	86%	0.856	75%	0.752	S	S	*	*			cis	-142.7	173.1	18.6	-146.5	-29.2	0	0	0	112.6
17	G	31.2	Very low	35	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	75%	0.748	S	S	*	*			trans	-150.9	132.8	-169.8	0	0	0	0	0	119.1
18	A	33.7	Very low	35.6	Very low	111 Å²	111	125.6 Å²	125.6	92%	0.917	75%	0.752	S	S	*	*			trans	-157.2	155.9	162.4	0	0	0	0	0	109.7
19	G	30.6	Very low	35.2	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	75%	0.753	S	S	*	*			cis	167.3	91.7	-7.3	0	0	0	0	0	114
20	L	30	Very low	35.2	Very low	170 Å²	170	123.8 Å²	123.8	89%	0.89	75%	0.75	S	S	*	*			trans	58.7	126.9	159.2	-67.9	163.9	0	0	0	121.5
21	S	29.6	Very low	35.8	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	76%	0.762	S	S	*	*			trans	60.7	146.5	143.7	-78	0	0	0	0	120.5
22	D	30.9	Very low	36.4	Very low	122 Å²	122	128.9 Å²	128.9	65%	0.652	76%	0.761	S	S	*	*			cis	-154.9	177.6	-0.6	-130	-61.1	0	0	0	111.9
23	L	41.4	Very low	36.6	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	77%	0.768	S	S	*	*			trans	-69.6	169.5	178.2	-69.9	150.9	0	0	0	113.4
24	P	46.1	Very low	36.9	Very low	111 Å²	111	130.4 Å²	130.4	72%	0.721	77%	0.766	S	S	*	*			cis	-144.7	179.9	15.3	45.1	-26.4	0	0	0	118.4
25	R	36.9	Very low	36.7	Very low	221 Å²	221	133.7 Å²	133.7	83%	0.834	78%	0.777	S	S	*	*			trans	54.1	135.8	144.7	-97.8	-169.8	151.1	162.6	2.4	124.5
26	D	31.2	Very low	37.1	Very low	119 Å²	119	133.7 Å²	133.7	64%	0.636	78%	0.781	S	S	*	*			trans	75.1	106.9	139.7	-59.3	-14.8	0	0	0	122.4
27	T	33.3	Very low	37	Very low	116 Å²	116	130.5 Å²	130.5	71%	0.712	78%	0.777	S	S	*	*				86.1	93.5	129.9	-49.2	0	0	0	0	122.1
28	L	44	Very low	37	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	79%	0.787	S	S	*	*			trans	63.4	175.2	137.5	-64.2	-178.2	0	0	0	118.1
29	P	48.7	Very low	36.7	Very low	120 Å²	120	133.6 Å²	133.6	78%	0.779	78%	0.78	S	S	*	*			cis	-122.4	-169	-0.7	42.7	-27.2	0	0	0	115.2
30	A	39.2	Very low	36.4	Very low	87 Å²	87	139.9 Å²	139.9	72%	0.719	79%	0.793	S	S	*	*			trans	-77.3	172.8	173	0	0	0	0	0	112.8
31	P	43.3	Very low	36.5	Very low	129 Å²	129	136 Å²	136	84%	0.838	79%	0.786	S	S	*	*				-140.6	164.4	105.2	38.9	-27.8	0	0	0	115.5
32	Q	44.4	Very low	36.7	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	79%	0.79	S	S	*	*			trans	-94.7	157	161.1	-60.7	172.2	-10.8	0	0	109.6
33	L	36.7	Very low	37	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	80%	0.799	S	S	*	*				176.6	138	121.9	-121	71.2	0	0	0	113.6
34	V	39.1	Very low	37	Very low	122 Å²	122	141.3 Å²	141.3	74%	0.739	79%	0.793	S	S	*	*			trans	65.4	146.6	136.9	158	0	0	0	0	118.6
35	M	32.7	Very low	37	Very low	170 Å²	170	142.2 Å²	142.2	84%	0.837	79%	0.788	S	S	*	*			cis	-137.3	-179.2	17	-152.4	141	71.3	0	0	114.5
36	L	42.9	Very low	36.8	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	78%	0.783	S	S	*	*			trans	-96.4	156.2	-172.6	-60.1	149.8	0	0	0	113.9
37	A	30.3	Very low	37.1	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	79%	0.791	S	S	*	*				-176.9	128.9	125.4	0	0	0	0	0	114.5
38	N	32.6	Very low	37.5	Very low	169 Å²	169	142.6 Å²	142.6	90%	0.904	79%	0.791	S	S	*	*			trans	9.1	140.8	151.3	-46.7	-11	0	0	0	120.9
39	G	25.8	Very low	37.1	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	78%	0.784	S	S	*	*			cis	163.1	-179.6	-3.5	0	0	0	0	0	114.6
40	M	25.8	Very low	36.2	Very low	201 Å²	201	144.7 Å²	144.7	99%	0.99	79%	0.787	S	S	*	*			trans	75.7	126.5	174.5	-76.6	-174.9	160.8	0	0	120.9
41	A	30.6	Very low	35.7	Very low	90 Å²	90	147.2 Å²	147.2	74%	0.744	79%	0.794	S	S	*	*			trans	84.7	66.6	150.8	0	0	0	0	0	121.5
42	D	35.4	Very low	35.2	Very low	154 Å²	154	148.4 Å²	148.4	82%	0.824	80%	0.798	S	S	*	*				17.6	124.9	124.2	-45.3	-7.9	0	0	0	116.9
43	E	35.7	Very low	34.4	Very low	180 Å²	180	143.5 Å²	143.5	84%	0.841	79%	0.794	S	S	*	*			cis	55	125.9	39.4	-66.6	-147.4	114.3	0	0	115.9
44	K	42.6	Very low	34	Very low	158 Å²	158	142.7 Å²	142.7	69%	0.687	80%	0.799	S	S	*	*			cis	103.2	108.4	18.1	-168.1	174.8	177.4	-70.5	0	114.9
45	E	45.2	Very low	33.5	Very low	131 Å²	131	140.1 Å²	140.1	61%	0.612	80%	0.798	S	S	*	*			trans	74.2	144.3	155.9	-83.1	-174	109.6	0	0	123.8
46	M	32.8	Very low	33.3	Very low	149 Å²	149	142 Å²	142	73%	0.734	80%	0.797	S	S	*	*			trans	62.9	105.1	147.2	-71.3	-169.5	-74.1	0	0	122.9
47	M	37.4	Very low	32.8	Very low	163 Å²	163	139.9 Å²	139.9	80%	0.803	80%	0.796	S	S	*	*				52.1	111.7	106.9	-171.3	163.2	177.3	0	0	117.6
48	E	41.3	Very low	32.7	Very low	152 Å²	152	141.8 Å²	141.8	71%	0.71	79%	0.793	S	S	*	*				-154.5	144	61.8	-79.2	-159.2	129	0	0	117.1
49	L	35.7	Very low	32.9	Very low	135 Å²	135	139 Å²	139	71%	0.707	79%	0.787	S	S	*	*			trans	45.8	122.2	138.1	-67.1	168.9	0	0	0	124.5
50	K	29.7	Very low	33.3	Very low	190 Å²	190	143.9 Å²	143.9	83%	0.826	79%	0.79	S	S	*	*			trans	74.8	132.4	156.8	-58.6	168.1	-178	170	0	115.6
51	T	29	Very low	33.5	Very low	141 Å²	141	142.1 Å²	142.1	87%	0.865	79%	0.785	S	S	*	*			cis	-128.7	159.6	36.3	38.4	0	0	0	0	115
52	V	33.8	Very low	33.6	Very low	153 Å²	153	146.2 Å²	146.2	93%	0.927	79%	0.788	S	S	*	*			trans	-105.8	126.7	175.6	178	0	0	0	0	109.9
53	G	26.5	Very low	33.3	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	79%	0.785	S	S	*	*			trans	-135.3	109.4	179.7	0	0	0	0	0	113.7
54	C	29.3	Very low	33.1	Very low	133 Å²	133	138.7 Å²	138.7	90%	0.899	78%	0.775	S	S	*	*			trans	60	159.5	161	-143.9	0	0	0	0	120.4
55	G	29	Very low	32.5	Very low	69 Å²	69	138 Å²	138	71%	0.711	78%	0.778	S	S	*	*			trans	121.1	67.1	-171.2	0	0	0	0	0	110.1
56	Y	27.3	Very low	31.7	Very low	210 Å²	210	142.2 Å²	142.2	82%	0.824	79%	0.788	S	S	*	*				59.5	89.8	70.7	-149.4	-69.8	0	0	0	112.8
57	S	33.7	Very low	31.3	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	79%	0.79	S	S	*	*			trans	-156.9	134.8	148.8	-78.3	0	0	0	0	107.9
58	D	27.1	Very low	30.9	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	78%	0.783	S	S	*	*			trans	-98	141.3	179.9	-170.5	7.7	0	0	0	109.3
59	S	38.1	Very low	30.2	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	79%	0.785	S	S	*	*			trans	-166.3	80.1	174.7	65.4	0	0	0	0	110.1
60	E	33.9	Very low	29.8	Very low	177 Å²	177	142.9 Å²	142.9	83%	0.827	78%	0.784	S	S	*	*			trans	-56.8	129.5	159.1	46.3	178.6	65.8	0	0	111.4
61	D	29.3	Very low	29.7	Very low	164 Å²	164	140.5 Å²	140.5	88%	0.877	78%	0.78	S	S	*	*			trans	-158.8	135.1	165.9	-145.1	-20.7	0	0	0	111.3	G63	D61-G63 PolarHBondContact O-N 3.37Å
62	E	33.6	Very low	29.9	Very low	176 Å²	176	141.5 Å²	141.5	82%	0.822	78%	0.775	S	S	*	*			trans	-87.5	90.8	-172.2	-82.3	-143.4	132.7	0	0	113.5	V64	E62-V64 VanDerWaalsContact C-N 3.29Å; E62-V64 PolarHBondContact O-N 2.89Å
63	G	29.2	Very low	29.6	Very low	74 Å²	74	141.6 Å²	141.6	76%	0.763	77%	0.77	S	S	*	*			trans	-74.7	61.6	173.4	0	0	0	0	0	115.5	D61 I65	D61-G63 PolarHBondContact O-N 3.37Å; G63-I65 PolarHBondContact O-N 3.3Å
64	V	31.1	Very low	29.8	Very low	103 Å²	103	145 Å²	145	62%	0.624	77%	0.766	S	S	*	*			trans	-69.9	86.7	176.8	-178.1	0	0	0	0	111.7	E62 R66	E62-V64 VanDerWaalsContact C-N 3.29Å; E62-V64 PolarHBondContact O-N 2.89Å; V64-R66 HydrophobicContact CG1-CG 4.39Å; V64-R66 PolarHBondContact O-N 3.26Å
65	I	29.8	Very low	29.8	Very low	144 Å²	144	149.6 Å²	149.6	74%	0.738	77%	0.765	S	S	*	*			trans	-92.8	85.5	167.9	-58	-173.4	0	0	0	109.9	G63 Y67	G63-I65 PolarHBondContact O-N 3.3Å; I65-Y67 HydrophobicContact CG2-CD2 3.69Å; I65-Y67 HydrophobicContact CG2-CE2 4.43Å; I65-Y67 PolarHBondContact O-N 3.03Å
66	R	28.1	Very low	29.8	Very low	219 Å²	219	153.4 Å²	153.4	83%	0.826	76%	0.764	S	S	*	*			trans	-68.8	105.2	153.7	-78.5	-179.5	169.9	135.4	-4	108.2	V64	V64-R66 HydrophobicContact CG1-CG 4.39Å; V64-R66 PolarHBondContact O-N 3.26Å
67	Y	25.2	Very low	29.9	Very low	198 Å²	198	148.9 Å²	148.9	78%	0.776	76%	0.758	S	S	*	*			trans	-98.8	84.9	159.2	-115.3	-69.8	0	0	0	110	I65	I65-Y67 HydrophobicContact CG2-CD2 3.69Å; I65-Y67 HydrophobicContact CG2-CE2 4.43Å; I65-Y67 PolarHBondContact O-N 3.03Å
68	S	28.5	Very low	29.5	Very low	93 Å²	93	147 Å²	147	65%	0.65	74%	0.744	S	S	*	*			trans	-64.5	133.6	156.4	47.7	0	0	0	0	109
69	Y	25.6	Very low	29.8	Very low	197 Å²	197	147.8 Å²	147.8	77%	0.773	75%	0.747	S	S	*	*			trans	-135.9	80.8	161.4	-143.1	-82.3	0	0	0	108.5
70	D	28.9	Very low	29.4	Very low	125 Å²	125	146.3 Å²	146.3	67%	0.668	73%	0.733	S	S	*	*			trans	-59.6	136.2	162.3	-95.4	-67.2	0	0	0	108.9
71	N	27.3	Very low	29.3	Very low	139 Å²	139	146.5 Å²	146.5	74%	0.743	73%	0.734	S	S	*	*			trans	-133.7	64.8	162.3	-167.8	2.9	0	0	0	107.3	N73	N71-N73 PolarHBondContact O-N 2.98Å
72	Q	32.1	Very low	29.4	Very low	163 Å²	163	148.9 Å²	148.9	76%	0.762	73%	0.732	S	S	*	*			trans	-64.1	119.8	167.4	-71.3	-174.6	-7.5	0	0	108.2
73	N	28.6	Very low	29.7	Very low	154 Å²	154	145.6 Å²	145.6	82%	0.824	73%	0.726	S	S	*	*			trans	-131	136.3	157.1	-144.4	-22.2	0	0	0	108.1	N71	N71-N73 PolarHBondContact O-N 2.98Å
74	H	29.6	Very low	29.7	Very low	142 Å²	142	150.6 Å²	150.6	66%	0.657	73%	0.729	S	S	*	*			trans	-71.8	152.2	-152.9	-122.7	-131	0	0	0	114.6	E76	H74-E76 IonicContact CE1-OE1 3.63Å; H74-E76 IonicContact CG-OE1 3.83Å; H74-E76 IonicContact ND1-OE1 3.67Å; H74-E76 PolarHBondContact ND1-OE1 3.01Å
75	R	29.1	Very low	29.8	Very low	230 Å²	230	150.8 Å²	150.8	87%	0.868	74%	0.735	S	S	*	*				-156.7	150.3	124	63.9	-175.1	-173.5	-153.8	3.7	109.9
76	E	29.1	Very low	30.4	Very low	149 Å²	149	149.8 Å²	149.8	70%	0.696	74%	0.738	S	S	*	*			trans	-71.4	163.2	-150.6	-76.8	65.6	-142.9	0	0	117.5	H74	H74-E76 IonicContact CE1-OE1 3.63Å; H74-E76 IonicContact CG-OE1 3.83Å; H74-E76 IonicContact ND1-OE1 3.67Å; H74-E76 PolarHBondContact ND1-OE1 3.01Å
77	V	31.1	Very low	30.4	Very low	116 Å²	116	146.1 Å²	146.1	70%	0.703	74%	0.735	S	S	*	*			trans	-89.4	151	177.3	173.7	0	0	0	0	110.5	I79	V77-I79 HydrophobicContact CG1-CD1 4.41Å; V77-I79 HydrophobicContact CG1-CG1 4.08Å
78	C	25.2	Very low	31.3	Very low	80 Å²	80	142.1 Å²	142.1	54%	0.541	73%	0.733	S	S	.	*			trans	-135.2	112.5	157.9	-72.7	0	0	0	0	109.2	T711	C78-T711 WeakPolarHBondContact CB-O 3.49Å; C78-T711 PolarHBondContact SG-O 3.05Å
79	I	31.5	Very low	31.4	Very low	150 Å²	150	141.6 Å²	141.6	77%	0.769	74%	0.735	S	S	*	*			trans	-136.7	137.4	168.3	-64.7	179.8	0	0	0	106.2	V77	V77-I79 HydrophobicContact CG1-CD1 4.41Å; V77-I79 HydrophobicContact CG1-CG1 4.08Å
80	V	31.5	Very low	31.5	Very low	79 Å²	79	136.4 Å²	136.4	48%	0.479	73%	0.732	S	S	.	*			trans	-97.3	136.9	175.8	165.8	0	0	0	0	109.9	P713	V80-P713 HydrophobicContact CG2-CB 4.38Å
81	E	31.6	Very low	31.6	Very low	181 Å²	181	139.3 Å²	139.3	85%	0.846	74%	0.742	S	S	*	*			trans	-134.7	134.4	-179.5	179.5	177.5	-115.9	0	0	109.3
82	Y	30.2	Very low	31.5	Very low	215 Å²	215	138.5 Å²	138.5	84%	0.843	74%	0.742	S	S	*	*			trans	-174.5	152.6	173.7	-130.7	-111.7	0	0	0	109.3
83	P	40.6	Very low	31.3	Very low	107 Å²	107	137.3 Å²	137.3	70%	0.695	75%	0.746	S	S	*	*				-129.1	-174.2	-52.9	42.9	-30.3	0	0	0	113.2
84	E	29.2	Very low	31.2	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	74%	0.736	S	S	*	*			trans	-79	177.8	-166.4	-58.6	172.5	90.2	0	0	119.4
85	S	33.1	Very low	31	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	74%	0.741	S	S	*	*			trans	90.2	156.3	142	-82.8	0	0	0	0	120
86	P	43.4	Very low	31	Very low	123 Å²	123	127.7 Å²	127.7	80%	0.799	74%	0.741	S	S	*	*			cis	-128.7	173.6	9.6	41.7	-26.6	0	0	0	117.8
87	N	27.9	Very low	30.9	Very low	141 Å²	141	123.9 Å²	123.9	75%	0.754	74%	0.742	S	S	*	*			trans	-83.2	165.7	171.9	-161	12.7	0	0	0	112.3
88	P	43.6	Very low	30.8	Very low	114 Å²	114	123.8 Å²	123.8	74%	0.74	75%	0.746	S	S	*	*				-149.5	-172.9	93.6	44.1	-26.5	0	0	0	113
89	A	30.9	Very low	31.1	Very low	83 Å²	83	129.7 Å²	129.7	69%	0.686	76%	0.757	S	S	*	*			cis	-162.2	-172.3	19.3	0	0	0	0	0	112.8
90	A	28	Very low	31	Very low	87 Å²	87	128.3 Å²	128.3	72%	0.719	75%	0.747	S	S	*	*			trans	64.4	111.1	159.1	0	0	0	0	0	119.2
91	Q	29.5	Very low	30.9	Very low	186 Å²	186	131.8 Å²	131.8	87%	0.869	76%	0.764	S	S	*	*				83.9	141.5	64.3	-80.2	-174.9	26	0	0	114.2
92	T	25.7	Very low	31	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	76%	0.761	S	S	*	*			cis	-116.4	-141.6	-6	42.5	0	0	0	0	110
93	V	27.1	Very low	30.8	Very low	137 Å²	137	129.7 Å²	129.7	83%	0.83	76%	0.761	S	S	*	*			cis	-157.9	178.6	4.2	77.5	0	0	0	0	111.2
94	A	28.2	Very low	30.2	Very low	75 Å²	75	131.7 Å²	131.7	62%	0.62	77%	0.766	S	S	*	*			trans	-98.1	-176.5	-179.6	0	0	0	0	0	112.7
95	T	25.7	Very low	31.8	Very low	126 Å²	126	127.8 Å²	127.8	77%	0.773	76%	0.757	S	S	*	*			cis	-167.2	162.8	34.2	-27.4	0	0	0	0	113.1
96	S	27.5	Very low	32.6	Very low	124 Å²	124	128.3 Å²	128.3	87%	0.867	76%	0.757	S	S	*	*			trans	69.8	143.8	165.4	71.1	0	0	0	0	119
97	G	28	Very low	32	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	76%	0.757	S	S	*	*			cis	166	146	-12.9	0	0	0	0	0	114.9
98	S	28	Very low	32.1	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	75%	0.753	S	S	*	*			trans	68.6	131.2	169.6	-62.8	0	0	0	0	117.6
99	R	31.5	Very low	31.5	Very low	204 Å²	204	131.3 Å²	131.3	77%	0.77	75%	0.753	S	S	*	*				79	140.8	54.3	-68	178.1	122	-156.8	-23.4	112.7
100	E	30.7	Very low	31.7	Very low	121 Å²	121	135.5 Å²	135.5	57%	0.565	76%	0.758	S	S	*	*			cis	-165.1	176.5	-4.2	-112	155.1	177.1	0	0	109.1
101	D	27.7	Very low	32.6	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	76%	0.759	S	S	*	*			trans	63.6	171.5	159.6	-62.5	-31.1	0	0	0	120
102	E	33.8	Very low	33.8	Very low	169 Å²	169	132.4 Å²	132.4	79%	0.79	75%	0.746	S	S	*	*			cis	-164.7	-153	-47.5	-142.5	-76	128.9	0	0	107.2
103	E	26.4	Very low	33.9	Very low	182 Å²	182	130.6 Å²	130.6	85%	0.85	74%	0.739	S	S	*	*			trans	73.6	161.8	172.9	-68.3	-144	86.9	0	0	121.2
104	N	29.2	Very low	34	Very low	149 Å²	149	133.5 Å²	133.5	80%	0.797	74%	0.741	S	S	*	*			trans	-144	-145.3	-156.8	-152.8	-14.2	0	0	0	113.4
105	P	62	Low	34.3	Very low	98 Å²	98	139.1 Å²	139.1	64%	0.636	75%	0.751	S	S	*	*			trans	-122	176	-131.1	43.5	-27.2	0	0	0	117.7
106	P	50.8	Low	35	Very low	117 Å²	117	139 Å²	139	76%	0.76	75%	0.753	S	S	*	*				-128.1	-175.3	124	38.1	-27.1	0	0	0	111.2
107	T	29.4	Very low	35.1	Very low	129 Å²	129	144.1 Å²	144.1	79%	0.791	75%	0.753	S	S	*	*			cis	-153.6	175.4	18.6	-33.1	0	0	0	0	111.5
108	E	30.9	Very low	35.7	Very low	143 Å²	143	145.7 Å²	145.7	67%	0.668	75%	0.751	S	S	*	*			trans	-72.2	173.6	171.6	-46.6	178.3	94.6	0	0	113.6
109	K	30.6	Very low	35.8	Very low	170 Å²	170	145 Å²	145	74%	0.739	75%	0.745	S	S	*	*			cis	-158.8	163.5	22.1	-138	139.4	-170.9	153.5	0	112
110	Q	35	Very low	35.6	Very low	171 Å²	171	141.3 Å²	141.3	80%	0.799	75%	0.746	S	S	*	*			trans	-104.4	-174.3	-175.9	-121	-176.4	26.5	0	0	111.9
111	P	46.5	Very low	35.5	Very low	114 Å²	114	142.3 Å²	142.3	74%	0.74	76%	0.76	S	S	*	*			cis	-147.3	-150.9	39.3	47.3	-22.3	0	0	0	114.8
112	P	54.2	Low	35.8	Very low	93 Å²	93	140.2 Å²	140.2	60%	0.604	76%	0.757	S	S	*	*				-145.1	-173.7	-104.9	44.6	-23	0	0	0	118.9
113	S	29.3	Very low	35.9	Very low	85 Å²	85	137.8 Å²	137.8	59%	0.594	76%	0.756	S	S	*	*			trans	75.5	159.9	142.4	78.6	0	0	0	0	119.7
114	F	28.9	Very low	36.4	Very low	199 Å²	199	137.6 Å²	137.6	87%	0.873	76%	0.756	S	S	*	*			cis	-136.9	163.7	7.3	-98.7	-71.1	0	0	0	113.6
115	K	33.6	Very low	37	Very low	192 Å²	192	136.4 Å²	136.4	84%	0.835	76%	0.756	S	S	*	*			trans	-96.3	164.6	161.7	-82.6	178.7	-179.4	174.7	0	108.5
116	P	40.2	Very low	35.4	Very low	125 Å²	125	135.4 Å²	135.4	81%	0.812	76%	0.763	S	S	*	*			cis	-155	-170.9	44.3	42.9	-19.3	0	0	0	119
117	R	30.8	Very low	34.5	Very low	231 Å²	231	134.2 Å²	134.2	87%	0.872	76%	0.763	S	S	*	*			trans	-74.5	175.1	157	-114.1	-168.9	173.5	-153.6	0.5	109.9
118	P	41.2	Very low	34.7	Very low	102 Å²	102	138.4 Å²	138.4	66%	0.662	77%	0.77	S	S	*	*			cis	-146.3	-169.3	27.5	45.2	-24.7	0	0	0	117.4
119	S	29	Very low	34.5	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	77%	0.772	S	S	*	*			trans	58	108.8	145.4	-60.4	0	0	0	0	123.3
120	T	27.6	Very low	34.4	Very low	128 Å²	128	133 Å²	133	79%	0.785	78%	0.775	S	S	*	*				27.2	125.2	125.5	57.9	0	0	0	0	121.1
121	V	28.8	Very low	34.2	Very low	141 Å²	141	132.9 Å²	132.9	86%	0.855	78%	0.776	S	S	*	*				-177.5	148.1	113.2	144	0	0	0	0	110.1
122	S	33.5	Very low	33.4	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	78%	0.783	S	S	*	*			trans	-72.6	156.7	176.5	-47.2	0	0	0	0	112.5
123	P	35.8	Very low	32.7	Very low	118 Å²	118	134.2 Å²	134.2	77%	0.766	79%	0.789	S	S	*	*				-147.2	168.3	101	38.2	-23.4	0	0	0	115.9
124	Q	37.8	Very low	33.1	Very low	179 Å²	179	134.9 Å²	134.9	84%	0.836	80%	0.8	S	S	*	*			trans	-112.5	139.1	158.7	-79	-79.2	-5.8	0	0	108
125	P	41.2	Very low	33.5	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	80%	0.801	S	S	*	*				-141.1	160.8	124.7	37.6	-25.6	0	0	0	112.9
126	G	28.3	Very low	33.6	Very low	77 Å²	77	135.3 Å²	135.3	79%	0.794	81%	0.805	S	S	*	*			trans	-152.1	172.1	177.5	0	0	0	0	0	113.7
127	A	32.8	Very low	34.2	Very low	92 Å²	92	138.4 Å²	138.4	76%	0.76	81%	0.805	S	S	*	*			trans	-159.3	125.4	176.4	0	0	0	0	0	115.2
128	K	32.1	Very low	35	Very low	217 Å²	217	136.4 Å²	136.4	94%	0.943	80%	0.803	S	S	*	*			trans	59.9	136.3	139.3	-57.5	175.9	-178.4	178	0	121.4
129	G	26.8	Very low	35.6	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	79%	0.791	S	S	*	*			trans	139.6	66.8	169.5	0	0	0	0	0	113.9
130	V	28.8	Very low	36.7	Very low	132 Å²	132	133.4 Å²	133.4	80%	0.8	77%	0.774	S	S	*	*				79.6	106.5	90.9	174.9	0	0	0	0	114.5
131	M	31.8	Very low	37.8	Very low	167 Å²	167	130.5 Å²	130.5	82%	0.823	76%	0.758	S	S	*	*			trans	56.1	141.5	165.3	-55.3	-61	93.3	0	0	117.2
132	D	29.8	Very low	39.5	Very low	163 Å²	163	124 Å²	124	87%	0.872	72%	0.719	S	S	*	*			cis	-137	-177.4	40.3	-145.2	-63.1	0	0	0	113.7
133	G	37.8	Very low	40.6	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	72%	0.715	S	S	*	*			trans	-105	119.9	-168.3	0	0	0	0	0	116.1
134	A	37.7	Very low	42.1	Very low	99 Å²	99	123.9 Å²	123.9	82%	0.818	70%	0.699	S	S	*	*			trans	-122.3	139.3	164.7	0	0	0	0	0	111.6	K136	A134-K136 PolarHBondContact O-N 3.16Å
135	Q	37.9	Very low	43.1	Very low	190 Å²	190	118.2 Å²	118.2	89%	0.888	68%	0.679	S	S	*	*			trans	-63.5	124	-165	-61.6	169.6	3.3	0	0	113.5	K137	Q135-K137 PolarHBondContact O-N 3.14Å
136	K	36.9	Very low	43.7	Very low	211 Å²	211	120.1 Å²	120.1	92%	0.917	68%	0.677	S	S	*	*			trans	-67.3	95.5	173.7	-66.9	-178.8	-179	178.2	0	111	A134 K138	A134-K136 PolarHBondContact O-N 3.16Å; K136-K138 PolarHBondContact O-N 3.35Å
137	K	51.3	Low	45.6	Very low	190 Å²	190	120.5 Å²	120.5	83%	0.826	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.3	133.4	165.4	-66.4	-176.5	-179.7	-179.7	0	109	Q135	Q135-K137 PolarHBondContact O-N 3.14Å
138	K	48.8	Very low	47.1	Very low	189 Å²	189	121.5 Å²	121.5	82%	0.822	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-68.5	126.6	174.9	-70.1	179.5	178.9	176.7	0	108.3	K136	K136-K138 PolarHBondContact O-N 3.35Å
139	P	53.2	Low	48.7	Very low	64 Å²	64	111.2 Å²	111.2	42%	0.416	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-71.6	151.6	-176.9	31.5	-36.6	0	0	0	111.2	C141 Q148	P139-C141 PolarHBondContact O-N 2.99Å; P139-Q148 HydrophobicContact CB-CG 3.68Å; P139-Q148 HydrophobicContact CG-CG 4.1Å
140	F	53	Low	50.3	Low	72 Å²	72	116.2 Å²	116.2	32%	0.316	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	98.7	-169.5	-65.2	-87.4	0	0	0	111.8	Q148 G149 E152 F155	F140-Q148 WeakPolarHBondContact O-CA 3.5Å; F140-G149 PolarHBondContact N-O 2.94Å; F140-G149 VanDerWaalsContact N-O 3.15Å; F140-G149 PolarHBondContact O-N 3Å; F140-E152 HydrophobicContact CE1-CG 4.49Å; F140-E152 HydrophobicContact CE2-CB 3.8Å; F140-E152 HydrophobicContact CE2-CG 4.37Å; F140-E152 HydrophobicContact CZ-CB 3.92Å; F140-E152 HydrophobicContact CZ-CG 4.01Å; F140-F155 HydrophobicContact CB-CB 3.66Å; F140-F155 HydrophobicContact CB-CD1 3.79Å; F140-F155 HydrophobicContact CB-CD2 3.56Å; F140-F155 HydrophobicContact CB-CE1 4.27Å; F140-F155 HydrophobicContact CB-CE2 4.08Å; F140-F155 HydrophobicContact CB-CG 3.39Å; F140-F155 HydrophobicContact CB-CZ 4.4Å; F140-F155 AromaticContact CD1-CD1 3.91Å; F140-F155 HydrophobicContact CD1-CD1 3.91Å; F140-F155 HydrophobicContact CD1-CE1 4.22Å; F140-F155 HydrophobicContact CD1-CG 4.37Å; F140-F155 HydrophobicContact CG-CB 4.13Å; F140-F155 HydrophobicContact CG-CD1 4.07Å; F140-F155 HydrophobicContact CG-CG 4.06Å; F140-F155 WeakPolarHBondContact O-CD2 3.41Å
141	C	50.2	Low	52	Low	66 Å²	66	114.7 Å²	114.7	45%	0.446	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	118	-176.2	-52.1	0	0	0	0	113.3	P139 K143 F147 Q148	P139-C141 PolarHBondContact O-N 2.99Å; C141-K143 PolarHBondContact O-N 3.11Å; C141-F147 CarbonylContact C-O 3.52Å; C141-F147 WeakPolarHBondContact CA-O 3.45Å; C141-Q148 PolarHBondContact SG-OE1 3.4Å
142	C	65	Low	53.5	Low	6 Å²	6	112.8 Å²	112.8	4%	0.041	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	98.3	176	-167	0	0	0	0	111.3	P144 C145 H146 F147 F155 H158	C142-P144 VanDerWaalsContact C-CD 3.44Å; C142-C145 PolarHBondContact O-N 2.92Å; C142-C145 VanDerWaalsContact O-N 3.15Å; C142-H146 WeakPolarHBondContact O-CA 3.18Å; C142-H146 PolarHBondContact O-N 3.49Å; C142-F147 HydrophobicContact CB-CB 4.23Å; C142-F147 PolarHBondContact N-O 3.01Å; C142-F155 HydrophobicContact CB-CE2 3.93Å; C142-H158 WeakPolarHBondContact CB-NE2 3.27Å; C142-H158 VanDerWaalsContact SG-CD2 3.59Å; C142-H158 PolarHBondContact SG-NE2 2.95Å
143	K	56.3	Low	55.1	Low	156 Å²	156	112.5 Å²	112.5	68%	0.678	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-34.9	-171.5	-66.3	-174.2	178.2	-178.6	0	116.6	C141 C145	C141-K143 PolarHBondContact O-N 3.11Å; K143-C145 VanDerWaalsContact C-N 3.28Å; K143-C145 PolarHBondContact O-N 3.48Å
144	P	66.9	Low	56.3	Low	67 Å²	67	113.1 Å²	113.1	44%	0.435	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-19	178	-26	36.4	0	0	0	116.4	C142 M167	C142-P144 VanDerWaalsContact C-CD 3.44Å; P144-M167 HydrophobicContact CG-CE 3.55Å; P144-M167 HydrophobicContact CG-CG 3.86Å; P144-M167 HydrophobicContact CG-SD 3.49Å; P144-M167 WeakPolarHBondContact CG-SD 3.43Å
145	C	59.2	Low	57.5	Low	60 Å²	60	110.3 Å²	110.3	41%	0.405	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.5	8.7	-174.6	61	0	0	0	0	113.7	C142 K143 F147 H158 H162	C142-C145 PolarHBondContact O-N 2.92Å; C142-C145 VanDerWaalsContact O-N 3.15Å; K143-C145 VanDerWaalsContact C-N 3.28Å; K143-C145 PolarHBondContact O-N 3.48Å; C145-F147 PolarHBondContact O-N 3.41Å; C145-H158 PolarHBondContact SG-CE1 2.85Å; C145-H158 PolarHBondContact SG-NE2 3.26Å; C145-H162 PolarHBondContact SG-NE2 3.45Å
146	H	53.7	Low	58.9	Low	163 Å²	163	105.4 Å²	105.4	76%	0.755	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	13.1	-178.8	-64.3	-94.3	0	0	0	116.5	C142 Q148	C142-H146 WeakPolarHBondContact O-CA 3.18Å; C142-H146 PolarHBondContact O-N 3.49Å; H146-Q148 PolarHBondContact O-N 2.77Å
147	F	66.6	Low	60.2	Low	86 Å²	86	102 Å²	102	38%	0.377	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	132.4	175.4	179.9	-96.7	0	0	0	111.3	C141 C142 C145 H158	C141-F147 CarbonylContact C-O 3.52Å; C141-F147 WeakPolarHBondContact CA-O 3.45Å; C142-F147 HydrophobicContact CB-CB 4.23Å; C142-F147 PolarHBondContact N-O 3.01Å; C145-F147 PolarHBondContact O-N 3.41Å; F147-H158 VanDerWaalsContact CB-CE1 3.43Å; F147-H158 WeakPolarHBondContact CB-CE1 3.48Å; F147-H158 HydrophobicContact CD1-CB 3.81Å; F147-H158 AromaticContact CD1-CD2 3.66Å; F147-H158 AromaticContact CD1-CE1 3.84Å; F147-H158 AromaticContact CD1-CG 3.32Å; F147-H158 AromaticContact CD1-ND1 3.45Å; F147-H158 WeakPolarHBondContact CD1-ND1 3.29Å; F147-H158 AromaticContact CD1-NE2 3.98Å; F147-H158 HydrophobicContact CE1-CB 3.7Å; F147-H158 AromaticContact CE1-CG 3.73Å; F147-H158 AromaticContact CE1-ND1 3.94Å; F147-H158 AromaticContact CG-CE1 3.6Å; F147-H158 AromaticContact CG-CG 3.89Å; F147-H158 AromaticContact CG-ND1 3.53Å; F147-H158 AromaticContact CG-NE2 4Å
148	Q	64.7	Low	61.1	Low	113 Å²	113	94.4 Å²	94.4	53%	0.528	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	94.2	-174.2	-175	173.1	-61.8	0	0	110.4	P139 F140 C141 H146	P139-Q148 HydrophobicContact CB-CG 3.68Å; P139-Q148 HydrophobicContact CG-CG 4.1Å; F140-Q148 WeakPolarHBondContact O-CA 3.5Å; C141-Q148 PolarHBondContact SG-OE1 3.4Å; H146-Q148 PolarHBondContact O-N 2.77Å
149	G	66.1	Low	61.8	Low	0 Å²	0	88.6 Å²	88.6	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.7	176.2	0	0	0	0	0	111.4	F140	F140-G149 PolarHBondContact N-O 2.94Å; F140-G149 VanDerWaalsContact N-O 3.15Å; F140-G149 PolarHBondContact O-N 3Å
150	Q	61.2	Low	62.2	Low	174 Å²	174	88.7 Å²	88.7	81%	0.813	45%	0.446	S	S	*	.	S	Bend	trans	-85.4	-31	175.4	-61.2	-170.3	13	0	0	110.7	E154	Q150-E154 WeakPolarHBondContact CA-OE2 3.23Å; Q150-E154 PolarHBondContact N-OE2 2.85Å
151	N	64.4	Low	62.6	Low	100 Å²	100	89.6 Å²	89.6	54%	0.535	46%	0.458	S	S	.	.	S	Bend	trans	-111.1	152.6	169.9	-94.9	-37.1	0	0	0	112.9	Q153 E154 F155	N151-Q153 VanDerWaalsContact C-N 3.26Å; N151-Q153 PolarHBondContact O-N 2.87Å; N151-E154 HydrophobicContact CB-CG 4.07Å; N151-E154 PolarHBondContact N-OE2 3Å; N151-E154 PolarHBondContact O-N 3.17Å; N151-F155 PolarHBondContact O-N 2.67Å
152	E	61.8	Low	63.1	Low	127 Å²	127	88.5 Å²	88.5	59%	0.593	45%	0.446	S	S	*	.	H	α-helix	trans	-61.8	-34.5	176.6	-173.1	175.2	171.9	0	0	112	F140 F155 V156	F140-E152 HydrophobicContact CE1-CG 4.49Å; F140-E152 HydrophobicContact CE2-CB 3.8Å; F140-E152 HydrophobicContact CE2-CG 4.37Å; F140-E152 HydrophobicContact CZ-CB 3.92Å; F140-E152 HydrophobicContact CZ-CG 4.01Å; E152-F155 PolarHBondContact O-N 2.69Å; E152-V156 WeakPolarHBondContact O-CG2 3.3Å; E152-V156 PolarHBondContact O-N 3.23Å
153	Q	64.8	Low	62.3	Low	158 Å²	158	91.9 Å²	91.9	74%	0.738	47%	0.47	S	S	*	.	H	α-helix	trans	-65.4	-44.3	177.3	-70.2	171.8	-18.8	0	0	112.1	N151 F155 V156 E157	N151-Q153 VanDerWaalsContact C-N 3.26Å; N151-Q153 PolarHBondContact O-N 2.87Å; Q153-F155 VanDerWaalsContact C-N 3.26Å; Q153-F155 PolarHBondContact O-N 3.34Å; Q153-V156 PolarHBondContact O-N 3.34Å; Q153-E157 WeakPolarHBondContact O-CB 3.33Å; Q153-E157 PolarHBondContact O-N 2.75Å
154	E	61.9	Low	62	Low	85 Å²	85	91.9 Å²	91.9	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-60.8	-37.5	174.2	-57	172.5	148.7	0	0	111.2	Q150 N151 H158	Q150-E154 WeakPolarHBondContact CA-OE2 3.23Å; Q150-E154 PolarHBondContact N-OE2 2.85Å; N151-E154 HydrophobicContact CB-CG 4.07Å; N151-E154 PolarHBondContact N-OE2 3Å; N151-E154 PolarHBondContact O-N 3.17Å; E154-H158 WeakPolarHBondContact O-CB 3.49Å; E154-H158 PolarHBondContact O-N 3.4Å
155	F	63.7	Low	61	Low	39 Å²	39	95 Å²	95	17%	0.171	49%	0.489	C	S	.	.	H	α-helix	trans	-70.5	-38	177.2	-176.5	-114.4	0	0	0	112.5	F140 C142 N151 E152 Q153 L159	F140-F155 HydrophobicContact CB-CB 3.66Å; F140-F155 HydrophobicContact CB-CD1 3.79Å; F140-F155 HydrophobicContact CB-CD2 3.56Å; F140-F155 HydrophobicContact CB-CE1 4.27Å; F140-F155 HydrophobicContact CB-CE2 4.08Å; F140-F155 HydrophobicContact CB-CG 3.39Å; F140-F155 HydrophobicContact CB-CZ 4.4Å; F140-F155 AromaticContact CD1-CD1 3.91Å; F140-F155 HydrophobicContact CD1-CD1 3.91Å; F140-F155 HydrophobicContact CD1-CE1 4.22Å; F140-F155 HydrophobicContact CD1-CG 4.37Å; F140-F155 HydrophobicContact CG-CB 4.13Å; F140-F155 HydrophobicContact CG-CD1 4.07Å; F140-F155 HydrophobicContact CG-CG 4.06Å; F140-F155 WeakPolarHBondContact O-CD2 3.41Å; C142-F155 HydrophobicContact CB-CE2 3.93Å; N151-F155 PolarHBondContact O-N 2.67Å; E152-F155 PolarHBondContact O-N 2.69Å; Q153-F155 VanDerWaalsContact C-N 3.26Å; Q153-F155 PolarHBondContact O-N 3.34Å; F155-L159 HydrophobicContact CD1-CD1 3.87Å; F155-L159 HydrophobicContact CD1-CG 4.48Å; F155-L159 HydrophobicContact CE1-CD1 3.51Å; F155-L159 HydrophobicContact CE1-CG 4.23Å; F155-L159 HydrophobicContact CE2-CG 4.39Å; F155-L159 HydrophobicContact CZ-CD1 3.87Å; F155-L159 HydrophobicContact CZ-CD2 4.39Å; F155-L159 HydrophobicContact CZ-CG 4.18Å; F155-L159 WeakPolarHBondContact O-CB 3.41Å; F155-L159 VanDerWaalsContact O-CG 3.25Å; F155-L159 WeakPolarHBondContact O-CG 3.36Å; F155-L159 PolarHBondContact O-N 3.43Å
156	V	66.9	Low	60.3	Low	88 Å²	88	101.3 Å²	101.3	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-68.5	-41.3	174.4	169.3	0	0	0	0	111.5	E152 Q153 L159 S160	E152-V156 WeakPolarHBondContact O-CG2 3.3Å; E152-V156 PolarHBondContact O-N 3.23Å; Q153-V156 PolarHBondContact O-N 3.34Å; V156-L159 PolarHBondContact O-N 2.22Å; V156-S160 PolarHBondContact O-N 3.08Å
157	E	64.4	Low	60	Low	139 Å²	139	98.6 Å²	98.6	65%	0.65	50%	0.498	S	S	*	.	H	α-helix	trans	-64.5	-45.3	174	-176	165.7	-142.3	0	0	111	Q153 L159 S160 T161	Q153-E157 WeakPolarHBondContact O-CB 3.33Å; Q153-E157 PolarHBondContact O-N 2.75Å; E157-L159 PolarHBondContact O-N 3.38Å; E157-S160 WeakPolarHBondContact O-CA 3.33Å; E157-S160 VanDerWaalsContact O-CB 3.27Å; E157-S160 WeakPolarHBondContact O-CB 3.25Å; E157-S160 PolarHBondContact O-N 2.63Å; E157-S160 PolarHBondContact O-OG 3.42Å; E157-T161 PolarHBondContact O-N 3.47Å
158	H	70.9	Confident	58.4	Low	30 Å²	30	101.2 Å²	101.2	14%	0.139	51%	0.513	C	S	.	.	H	α-helix	trans	-58.5	-46.1	172.4	177.7	79.1	0	0	0	112.2	C142 C145 F147 E154 S160 T161 H162	C142-H158 WeakPolarHBondContact CB-NE2 3.27Å; C142-H158 VanDerWaalsContact SG-CD2 3.59Å; C142-H158 PolarHBondContact SG-NE2 2.95Å; C145-H158 PolarHBondContact SG-CE1 2.85Å; C145-H158 PolarHBondContact SG-NE2 3.26Å; F147-H158 VanDerWaalsContact CB-CE1 3.43Å; F147-H158 WeakPolarHBondContact CB-CE1 3.48Å; F147-H158 HydrophobicContact CD1-CB 3.81Å; F147-H158 AromaticContact CD1-CD2 3.66Å; F147-H158 AromaticContact CD1-CE1 3.84Å; F147-H158 AromaticContact CD1-CG 3.32Å; F147-H158 AromaticContact CD1-ND1 3.45Å; F147-H158 WeakPolarHBondContact CD1-ND1 3.29Å; F147-H158 AromaticContact CD1-NE2 3.98Å; F147-H158 HydrophobicContact CE1-CB 3.7Å; F147-H158 AromaticContact CE1-CG 3.73Å; F147-H158 AromaticContact CE1-ND1 3.94Å; F147-H158 AromaticContact CG-CE1 3.6Å; F147-H158 AromaticContact CG-CG 3.89Å; F147-H158 AromaticContact CG-ND1 3.53Å; F147-H158 AromaticContact CG-NE2 4Å; E154-H158 WeakPolarHBondContact O-CB 3.49Å; E154-H158 PolarHBondContact O-N 3.4Å; H158-S160 PolarHBondContact O-N 3.33Å; H158-T161 WeakPolarHBondContact O-CB 3.46Å; H158-T161 PolarHBondContact O-N 3.1Å; H158-T161 PolarHBondContact O-OG1 3.01Å; H158-H162 AromaticContact CD2-CD2 3.89Å; H158-H162 AromaticContact CD2-NE2 3.83Å; H158-H162 AromaticContact CE1-NE2 3.52Å; H158-H162 AromaticContact NE2-CD2 3.5Å; H158-H162 PolarHBondContact NE2-CD2 2.83Å; H158-H162 AromaticContact NE2-NE2 2.97Å; H158-H162 PolarHBondContact NE2-NE2 3.18Å; H158-H162 PolarHBondContact O-CD2 3.5Å
159	L	61.9	Low	56.9	Low	67 Å²	67	102.4 Å²	102.4	35%	0.351	53%	0.528	S	S	.	.	H	α-helix	trans	-61	-28.7	174.2	-77.3	175	0	0	0	112.7	F155 V156 E157 T161 H162 S163	F155-L159 HydrophobicContact CD1-CD1 3.87Å; F155-L159 HydrophobicContact CD1-CG 4.48Å; F155-L159 HydrophobicContact CE1-CD1 3.51Å; F155-L159 HydrophobicContact CE1-CG 4.23Å; F155-L159 HydrophobicContact CE2-CG 4.39Å; F155-L159 HydrophobicContact CZ-CD1 3.87Å; F155-L159 HydrophobicContact CZ-CD2 4.39Å; F155-L159 HydrophobicContact CZ-CG 4.18Å; F155-L159 WeakPolarHBondContact O-CB 3.41Å; F155-L159 VanDerWaalsContact O-CG 3.25Å; F155-L159 WeakPolarHBondContact O-CG 3.36Å; F155-L159 PolarHBondContact O-N 3.43Å; V156-L159 PolarHBondContact O-N 2.22Å; E157-L159 PolarHBondContact O-N 3.38Å; L159-T161 VanDerWaalsContact C-N 3.27Å; L159-T161 PolarHBondContact O-N 2.87Å; L159-H162 PolarHBondContact O-N 3.11Å; L159-S163 PolarHBondContact O-N 2.64Å
160	S	63.1	Low	55.3	Low	67 Å²	67	108.1 Å²	108.1	47%	0.469	56%	0.562	S	S	.	*	H	α-helix	trans	-64.8	-30.3	173.4	88.6	0	0	0	0	112.3	V156 E157 H158 H162 S163	V156-S160 PolarHBondContact O-N 3.08Å; E157-S160 WeakPolarHBondContact O-CA 3.33Å; E157-S160 VanDerWaalsContact O-CB 3.27Å; E157-S160 WeakPolarHBondContact O-CB 3.25Å; E157-S160 PolarHBondContact O-N 2.63Å; E157-S160 PolarHBondContact O-OG 3.42Å; H158-S160 PolarHBondContact O-N 3.33Å; S160-H162 VanDerWaalsContact C-N 3.32Å; S160-H162 PolarHBondContact O-N 3.08Å; S160-S163 WeakPolarHBondContact O-CB 3.37Å; S160-S163 PolarHBondContact O-N 3.2Å; S160-S163 VanDerWaalsContact O-N 3.15Å; S160-S163 PolarHBondContact O-OG 3.4Å
161	T	61.4	Low	53.9	Low	91 Å²	91	107.5 Å²	107.5	56%	0.558	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-29.8	173.4	74.1	0	0	0	0	112.8	E157 H158 L159 S163	E157-T161 PolarHBondContact O-N 3.47Å; H158-T161 WeakPolarHBondContact O-CB 3.46Å; H158-T161 PolarHBondContact O-N 3.1Å; H158-T161 PolarHBondContact O-OG1 3.01Å; L159-T161 VanDerWaalsContact C-N 3.27Å; L159-T161 PolarHBondContact O-N 2.87Å; T161-S163 VanDerWaalsContact C-N 3.26Å; T161-S163 PolarHBondContact O-N 2.9Å
162	H	59.3	Low	52.3	Low	43 Å²	43	110.1 Å²	110.1	20%	0.199	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-76.5	-7.3	173.5	-70.1	-87.5	0	0	0	113.6	C145 H158 L159 S160 I164 N165	C145-H162 PolarHBondContact SG-NE2 3.45Å; H158-H162 AromaticContact CD2-CD2 3.89Å; H158-H162 AromaticContact CD2-NE2 3.83Å; H158-H162 AromaticContact CE1-NE2 3.52Å; H158-H162 AromaticContact NE2-CD2 3.5Å; H158-H162 PolarHBondContact NE2-CD2 2.83Å; H158-H162 AromaticContact NE2-NE2 2.97Å; H158-H162 PolarHBondContact NE2-NE2 3.18Å; H158-H162 PolarHBondContact O-CD2 3.5Å; L159-H162 PolarHBondContact O-N 3.11Å; S160-H162 VanDerWaalsContact C-N 3.32Å; S160-H162 PolarHBondContact O-N 3.08Å; H162-I164 PolarHBondContact O-N 3.15Å; H162-I164 VanDerWaalsContact O-N 3.07Å; H162-N165 CarbonylContact O-C 3.58Å; H162-N165 PolarHBondContact O-N 3.37Å
163	S	48.8	Very low	50.8	Low	77 Å²	77	109.8 Å²	109.8	54%	0.538	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-61.6	-19.9	-176.5	67.5	0	0	0	0	114.3	L159 S160 T161 N165	L159-S163 PolarHBondContact O-N 2.64Å; S160-S163 WeakPolarHBondContact O-CB 3.37Å; S160-S163 PolarHBondContact O-N 3.2Å; S160-S163 VanDerWaalsContact O-N 3.15Å; S160-S163 PolarHBondContact O-OG 3.4Å; T161-S163 VanDerWaalsContact C-N 3.26Å; T161-S163 PolarHBondContact O-N 2.9Å; S163-N165 VanDerWaalsContact C-N 3.31Å
164	I	49.6	Very low	49.6	Very low	155 Å²	155	111.3 Å²	111.3	80%	0.795	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-74.1	-21.4	176.2	-60.8	177.6	0	0	0	111.7	H162	H162-I164 PolarHBondContact O-N 3.15Å; H162-I164 VanDerWaalsContact O-N 3.07Å
165	N	47.5	Very low	47.9	Very low	134 Å²	134	111 Å²	111	72%	0.717	60%	0.601	S	S	*	*	S	Bend	trans	-146.6	83.4	179.3	-122.8	-21.4	0	0	0	114.5	H162 S163	H162-N165 CarbonylContact O-C 3.58Å; H162-N165 PolarHBondContact O-N 3.37Å; S163-N165 VanDerWaalsContact C-N 3.31Å
166	K	43.5	Very low	46.3	Very low	191 Å²	191	120.4 Å²	120.4	83%	0.83	64%	0.635	S	S	*	*			trans	27.4	110	157.9	-66.4	177.1	-177.6	168.2	0	117.9
167	M	47.5	Very low	44.7	Very low	107 Å²	107	121.1 Å²	121.1	53%	0.527	64%	0.644	S	S	.	*			trans	-122.8	152.4	159.1	-88.3	-63.1	-67.6	0	0	113.3	P144	P144-M167 HydrophobicContact CG-CE 3.55Å; P144-M167 HydrophobicContact CG-CG 3.86Å; P144-M167 HydrophobicContact CG-SD 3.49Å; P144-M167 WeakPolarHBondContact CG-SD 3.43Å
168	M	32.1	Very low	43.2	Very low	141 Å²	141	123.6 Å²	123.6	70%	0.695	65%	0.653	S	S	*	*			trans	-109.7	131.9	171.3	-65.2	-101.6	69.1	0	0	108.7
169	V	34.1	Very low	41.1	Very low	137 Å²	137	132.1 Å²	132.1	83%	0.83	68%	0.684	S	S	*	*			trans	-90.5	124.1	173.8	180	0	0	0	0	109
170	V	32.3	Very low	39.6	Very low	120 Å²	120	137.6 Å²	137.6	73%	0.727	71%	0.707	S	S	*	*			trans	-123.5	118.6	171.4	179.1	0	0	0	0	107.8
171	H	31.9	Very low	37.9	Very low	162 Å²	162	139.1 Å²	139.1	75%	0.75	72%	0.724	S	S	*	*			trans	-90.3	124.6	178.2	-158.7	-96.8	0	0	0	109.5	V173	H171-V173 WeakPolarHBondContact ND1-CG2 3.42Å
172	Q	30.6	Very low	36.3	Very low	154 Å²	154	142.8 Å²	142.8	72%	0.72	74%	0.735	S	S	*	*			trans	-106.7	131.8	169.5	-86.5	177.9	-52.5	0	0	109.1
173	V	31	Very low	34.8	Very low	121 Å²	121	149.2 Å²	149.2	73%	0.733	77%	0.765	S	S	*	*			trans	-120	118.8	168.1	-176	0	0	0	0	106.7	H171	H171-V173 WeakPolarHBondContact ND1-CG2 3.42Å
174	E	38.4	Very low	33.8	Very low	190 Å²	190	148.6 Å²	148.6	89%	0.888	77%	0.77	S	S	*	*			trans	-128.2	144.8	167.3	-78.1	-161.2	143.4	0	0	109.7
175	G	27.9	Very low	32.9	Very low	77 Å²	77	151.3 Å²	151.3	79%	0.794	77%	0.77	S	S	*	*			trans	-165.3	95.4	176.8	0	0	0	0	0	110.7
176	R	28.3	Very low	31.9	Very low	238 Å²	238	151.4 Å²	151.4	90%	0.898	77%	0.766	S	S	*	*			trans	-71.5	162.2	161	-72.7	175.9	159.6	172.4	-6.1	108.3
177	S	33.5	Very low	31.2	Very low	102 Å²	102	150.7 Å²	150.7	71%	0.713	77%	0.766	S	S	*	*				-175.6	157.2	51.7	-52.4	0	0	0	0	112.4
178	K	32.8	Very low	30.2	Very low	192 Å²	192	153.5 Å²	153.5	84%	0.835	78%	0.778	S	S	*	*			trans	53.4	150.5	147.5	-77.9	-170.5	174.4	-171.5	0	119.8
179	R	28.5	Very low	30.5	Very low	209 Å²	209	151.8 Å²	151.8	79%	0.789	78%	0.777	S	S	*	*			cis	-176.4	166.6	-27.2	-123.6	-167.2	-169.2	-163.1	2.1	106.3
180	E	29.1	Very low	29.9	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	77%	0.771	S	S	*	*			trans	71.9	144.7	170.8	-31.6	-168.2	167.6	0	0	114
181	A	27.8	Very low	29.7	Very low	99 Å²	99	149.1 Å²	149.1	82%	0.818	77%	0.77	S	S	*	*			cis	-137.6	174.2	4.1	0	0	0	0	0	112.9
182	E	28.8	Very low	29.4	Very low	168 Å²	168	149.5 Å²	149.5	79%	0.785	77%	0.772	S	S	*	*			trans	-76.4	157.4	179.6	-55	164.9	153.8	0	0	111.2
183	H	26.9	Very low	29.2	Very low	179 Å²	179	146.2 Å²	146.2	83%	0.829	76%	0.76	S	S	*	*			cis	-151.2	163.6	39.8	-75	55.5	0	0	0	110.1
184	G	27.6	Very low	29.1	Very low	63 Å²	63	143.2 Å²	143.2	65%	0.649	75%	0.747	S	S	*	*			cis	160.6	158.7	-7.2	0	0	0	0	0	112.7
185	R	30	Very low	28.8	Very low	212 Å²	212	136.3 Å²	136.3	80%	0.8	72%	0.723	S	S	*	*			trans	68.6	143.2	166.9	-59.1	-172.9	175.8	-95.9	-4.7	118.1
186	E	26.7	Very low	28.9	Very low	136 Å²	136	134.5 Å²	134.5	64%	0.636	70%	0.7	S	S	*	*			cis	-162.4	-170.2	-16.8	-119.3	147.9	-169.1	0	0	109.9
187	E	30.1	Very low	29.1	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	68%	0.681	S	S	*	*			trans	76.1	72.5	176.2	-53.6	-59.8	93.3	0	0	119
188	E	25.4	Very low	29.2	Very low	166 Å²	166	127.3 Å²	127.3	78%	0.776	69%	0.688	S	S	*	*			trans	-70.6	172.5	140.3	-83.7	-79.1	150.9	0	0	109.6
189	P	38	Very low	29.4	Very low	105 Å²	105	123.4 Å²	123.4	68%	0.682	68%	0.676	S	S	*	*			cis	-152.2	172.2	32.3	43.9	-23	0	0	0	120.7
190	S	22.2	Very low	30.2	Very low	101 Å²	101	119.1 Å²	119.1	71%	0.706	67%	0.673	S	S	*	*			trans	73.8	153.6	149.4	80.1	0	0	0	0	118.3
191	S	28.1	Very low	31.3	Very low	99 Å²	99	119.2 Å²	119.2	69%	0.692	67%	0.671	S	S	*	*			cis	-142.7	179.1	4.5	18.3	0	0	0	0	112.1
192	E	26.2	Very low	32.7	Very low	170 Å²	170	116.1 Å²	116.1	79%	0.794	65%	0.649	S	S	*	*			trans	-65.9	171.2	-176.9	61.3	-99.2	88.6	0	0	115.1
193	D	26.3	Very low	34.2	Very low	86 Å²	86	112.5 Å²	112.5	46%	0.46	63%	0.634	S	S	.	*			cis	-153.7	168.1	15.8	-158.6	-6.6	0	0	0	112.9	R601	D193-R601 IonicContact OD1-CZ 2.68Å; D193-R601 IonicContact OD1-NE 2.73Å; D193-R601 PolarHBondContact OD1-NE 3.44Å; D193-R601 IonicContact OD1-NH1 3.3Å; D193-R601 IonicContact OD1-NH2 2.81Å; D193-R601 PolarHBondContact OD1-NH2 2.99Å; D193-R601 IonicContact OD2-CZ 2.82Å; D193-R601 IonicContact OD2-NE 2.69Å; D193-R601 PolarHBondContact OD2-NE 2.93Å; D193-R601 VanDerWaalsContact OD2-NE 3.12Å; D193-R601 IonicContact OD2-NH1 3Å; D193-R601 PolarHBondContact OD2-NH1 2.83Å; D193-R601 IonicContact OD2-NH2 3.7Å; D193-R601 PolarHBondContact OD2-NH2 3.26Å
194	A	29.7	Very low	36.5	Very low	58 Å²	58	106.3 Å²	106.3	48%	0.479	61%	0.607	S	S	.	*			trans	-120.9	148	-171.1	0	0	0	0	0	116.3	R601	A194-R601 PolarHBondContact O-NE 3.01Å
195	A	31.1	Very low	38.4	Very low	45 Å²	45	111.1 Å²	111.1	37%	0.372	61%	0.605	S	S	.	*			trans	68	106.8	149.3	0	0	0	0	0	120.5	R601	A195-R601 WeakPolarHBondContact O-CA 2.91Å
196	A	29.6	Very low	40.7	Very low	39 Å²	39	101.1 Å²	101.1	32%	0.322	57%	0.568	S	S	.	*				-110.7	136.9	127.9	0	0	0	0	0	109.8	T600	A196-T600 WeakPolarHBondContact CB-O 3.47Å
197	G	32.8	Very low	42.5	Very low	48 Å²	48	103.4 Å²	103.4	50%	0.495	58%	0.578	S	S	.	*			trans	-129.6	138.9	166.5	0	0	0	0	0	108.1
198	V	35.4	Very low	43.9	Very low	140 Å²	140	99 Å²	99	85%	0.848	55%	0.554	S	S	*	*			trans	-91.3	121.8	-180	178.1	0	0	0	0	108.9	T200	V198-T200 PolarHBondContact O-N 3.42Å; V198-T200 VanDerWaalsContact O-N 3.13Å
199	D	37.8	Very low	45.8	Very low	110 Å²	110	92.8 Å²	92.8	59%	0.588	53%	0.529	S	S	*	.			trans	-78.9	94.1	-172.9	-54.7	-61.5	0	0	0	111.9	K201 K602	D199-K201 VanDerWaalsContact C-N 3.28Å; D199-K201 PolarHBondContact O-N 2.63Å; D199-K602 IonicContact OD1-NZ 3.5Å; D199-K602 IonicContact OD2-NZ 2.7Å; D199-K602 PolarHBondContact OD2-NZ 2.89Å
200	T	44.8	Very low	47.2	Very low	120 Å²	120	88.8 Å²	88.8	74%	0.736	51%	0.507	S	S	*	.			trans	-70.6	77.8	174.6	-1.1	0	0	0	0	111.7	V198 G202 L203	V198-T200 PolarHBondContact O-N 3.42Å; V198-T200 VanDerWaalsContact O-N 3.13Å; T200-G202 PolarHBondContact O-N 3.03Å; T200-L203 HydrophobicContact CG2-CD1 4.34Å
201	K	52.1	Low	49.7	Very low	183 Å²	183	87.7 Å²	87.7	80%	0.796	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	125.8	-178	-75.5	-178.7	175.2	176.6	0	113.4	D199 L203	D199-K201 VanDerWaalsContact C-N 3.28Å; D199-K201 PolarHBondContact O-N 2.63Å; K201-L203 PolarHBondContact O-N 2.84Å
202	G	57.7	Low	51.8	Low	34 Å²	34	87.6 Å²	87.6	35%	0.351	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	6.7	148.8	0	0	0	0	0	118.3	T200 I204	T200-G202 PolarHBondContact O-N 3.03Å; G202-I204 PolarHBondContact O-N 3.46Å; G202-I204 VanDerWaalsContact O-N 3.1Å
203	L	61	Low	54.3	Low	91 Å²	91	80.1 Å²	80.1	48%	0.476	45%	0.445	S	S	.	.			trans	-72.9	97.7	175.1	-82.8	162.1	0	0	0	111.3	T200 K201 R205 N212 N214	T200-L203 HydrophobicContact CG2-CD1 4.34Å; K201-L203 PolarHBondContact O-N 2.84Å; L203-R205 PolarHBondContact O-N 3.46Å; L203-N212 HydrophobicContact CD2-CB 4.17Å; L203-N214 WeakPolarHBondContact CA-OD1 3.44Å; L203-N214 WeakPolarHBondContact CD2-OD1 3.43Å; L203-N214 WeakPolarHBondContact CG-OD1 3.41Å
204	I	74.4	Confident	56.8	Low	50 Å²	50	81.6 Å²	81.6	26%	0.256	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116.4	171.2	-45.3	168.4	0	0	0	108	G202 N212 T213 Y216 Y219	G202-I204 PolarHBondContact O-N 3.46Å; G202-I204 VanDerWaalsContact O-N 3.1Å; I204-N212 WeakPolarHBondContact O-CA 3.27Å; I204-T213 WeakPolarHBondContact CB-O 3.47Å; I204-T213 PolarHBondContact N-O 2.8Å; I204-T213 PolarHBondContact O-N 2.87Å; I204-Y216 HydrophobicContact CD1-CD2 4Å; I204-Y219 HydrophobicContact CB-CD2 4.28Å; I204-Y219 HydrophobicContact CB-CG 4.29Å; I204-Y219 HydrophobicContact CG2-CD1 3.68Å; I204-Y219 HydrophobicContact CG2-CD2 3.51Å; I204-Y219 HydrophobicContact CG2-CE1 3.81Å; I204-Y219 HydrophobicContact CG2-CE2 3.67Å; I204-Y219 HydrophobicContact CG2-CG 3.52Å
205	R	67.5	Low	59.2	Low	164 Å²	164	85.9 Å²	85.9	62%	0.619	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.3	178.5	179.8	-177.5	173.5	106.4	-3.2	109.8	L203 E207 Y211	L203-R205 PolarHBondContact O-N 3.46Å; R205-E207 PolarHBondContact O-N 3.3Å; R205-Y211 CarbonylContact C-O 3.58Å; R205-Y211 WeakPolarHBondContact CA-O 3.42Å
206	C	77.8	Confident	61.4	Low	1 Å²	1	90.8 Å²	90.8	1%	0.007	47%	0.467	C	S	.	.			trans	-72.5	114.9	166.7	-178.5	0	0	0	0	109.7	R208 C209 G210 Y211 Y219 H222	C206-R208 PolarHBondContact O-N 2.97Å; C206-C209 PolarHBondContact O-N 3.5Å; C206-G210 VanDerWaalsContact O-CA 3.29Å; C206-G210 WeakPolarHBondContact O-CA 3.35Å; C206-G210 PolarHBondContact O-N 3.15Å; C206-Y211 PolarHBondContact N-O 3.31Å; C206-Y219 HydrophobicContact CB-CE2 3.97Å; C206-H222 WeakPolarHBondContact CB-NE2 3.43Å; C206-H222 PolarHBondContact SG-NE2 3.44Å; C206-H222 VanDerWaalsContact SG-NE2 3.4Å
207	E	64.3	Low	63.7	Low	185 Å²	185	93.2 Å²	93.2	86%	0.864	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.1	-179.8	-58.2	-176.9	141.4	0	0	111.7	R205 C209	R205-E207 PolarHBondContact O-N 3.3Å; E207-C209 VanDerWaalsContact C-N 3.32Å; E207-C209 PolarHBondContact O-N 3.44Å
208	R	59.8	Low	65.9	Low	84 Å²	84	95.2 Å²	95.2	32%	0.317	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.2	-177.1	-164	169.7	172	110	-14.4	115.1	C206 H226 G230 N231 H233	C206-R208 PolarHBondContact O-N 2.97Å; R208-H226 VanDerWaalsContact CD-ND1 3.33Å; R208-H226 WeakPolarHBondContact CD-ND1 3.42Å; R208-H226 PolarHBondContact NE-ND1 3.15Å; R208-G230 PolarHBondContact NH2-O 3.47Å; R208-N231 PolarHBondContact NH1-OD1 2.96Å; R208-N231 PolarHBondContact NH2-OD1 3.47Å; R208-H233 PolarHBondContact O-CE1 3.21Å
209	C	64.8	Low	67.9	Low	36 Å²	36	90.5 Å²	90.5	24%	0.243	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153	0.6	178.8	71.5	0	0	0	0	116.8	C206 E207 Y211 H222 H226 V246	C206-C209 PolarHBondContact O-N 3.5Å; E207-C209 VanDerWaalsContact C-N 3.32Å; E207-C209 PolarHBondContact O-N 3.44Å; C209-Y211 VanDerWaalsContact C-N 3.29Å; C209-Y211 PolarHBondContact O-N 2.97Å; C209-H222 PolarHBondContact SG-CE1 3.4Å; C209-H222 PolarHBondContact SG-NE2 2.98Å; C209-H226 PolarHBondContact SG-NE2 3.26Å; C209-V246 HydrophobicContact CB-CB 3.88Å; C209-V246 HydrophobicContact CB-CG1 3.56Å; C209-V246 HydrophobicContact CB-CG2 4.46Å
210	G	68.6	Low	69.8	Low	21 Å²	21	87.5 Å²	87.5	22%	0.216	42%	0.421	C	S	.	.			trans	78.3	-2.3	-179.5	0	0	0	0	0	116.3	C206 N212	C206-G210 VanDerWaalsContact O-CA 3.29Å; C206-G210 WeakPolarHBondContact O-CA 3.35Å; C206-G210 PolarHBondContact O-N 3.15Å; G210-N212 PolarHBondContact O-N 3.43Å
211	Y	75.1	Confident	71.3	Confident	77 Å²	77	84 Å²	84	30%	0.302	41%	0.405	S	S	.	.			trans	-56.7	129	175.8	176.5	-107	0	0	0	111.2	R205 C206 C209 T213 H222	R205-Y211 CarbonylContact C-O 3.58Å; R205-Y211 WeakPolarHBondContact CA-O 3.42Å; C206-Y211 PolarHBondContact N-O 3.31Å; C209-Y211 VanDerWaalsContact C-N 3.29Å; C209-Y211 PolarHBondContact O-N 2.97Å; Y211-T213 HydrophobicContact CD1-CG2 4.3Å; Y211-T213 HydrophobicContact CE1-CG2 3.78Å; Y211-H222 VanDerWaalsContact CB-CE1 3.46Å; Y211-H222 WeakPolarHBondContact CB-CE1 3.43Å; Y211-H222 HydrophobicContact CD1-CB 3.98Å; Y211-H222 AromaticContact CD1-CD2 3.64Å; Y211-H222 AromaticContact CD1-CE1 3.71Å; Y211-H222 AromaticContact CD1-CG 3.42Å; Y211-H222 VanDerWaalsContact CD1-CG 3.42Å; Y211-H222 AromaticContact CD1-ND1 3.48Å; Y211-H222 WeakPolarHBondContact CD1-ND1 3.49Å; Y211-H222 AromaticContact CD1-NE2 3.81Å; Y211-H222 HydrophobicContact CE1-CB 3.93Å; Y211-H222 AromaticContact CE1-CG 3.86Å; Y211-H222 AromaticContact CG-CE1 3.66Å; Y211-H222 AromaticContact CG-ND1 3.78Å; Y211-H222 AromaticContact CG-NE2 3.97Å
212	N	70.9	Confident	72.5	Confident	98 Å²	98	76.1 Å²	76.1	52%	0.524	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.7	-179.1	55.7	-6	0	0	0	111.8	L203 I204 G210	L203-N212 HydrophobicContact CD2-CB 4.17Å; I204-N212 WeakPolarHBondContact O-CA 3.27Å; G210-N212 PolarHBondContact O-N 3.43Å
213	T	79.3	Confident	73.2	Confident	12 Å²	12	77.2 Å²	77.2	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	139.8	178.8	166.7	0	0	0	0	111.2	I204 Y211 R215 Y219	I204-T213 WeakPolarHBondContact CB-O 3.47Å; I204-T213 PolarHBondContact N-O 2.8Å; I204-T213 PolarHBondContact O-N 2.87Å; Y211-T213 HydrophobicContact CD1-CG2 4.3Å; Y211-T213 HydrophobicContact CE1-CG2 3.78Å; T213-R215 VanDerWaalsContact C-N 3.27Å; T213-R215 PolarHBondContact OG1-N 3.17Å; T213-R215 PolarHBondContact OG1-O 3.31Å; T213-Y219 HydrophobicContact CG2-CD2 4.22Å; T213-Y219 HydrophobicContact CG2-CG 4.46Å
214	N	78.1	Confident	73.8	Confident	117 Å²	117	79.2 Å²	79.2	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	-88.9	11	174.2	-65.3	-18.1	0	0	0	112.8	L203	L203-N214 WeakPolarHBondContact CA-OD1 3.44Å; L203-N214 WeakPolarHBondContact CD2-OD1 3.43Å; L203-N214 WeakPolarHBondContact CG-OD1 3.41Å
215	R	80.1	Confident	73.3	Confident	149 Å²	149	81.6 Å²	81.6	56%	0.562	38%	0.383	S	S	*	.			trans	-131	131.5	176.5	-73.1	-174.5	174.7	-170.9	-5.5	111	T213 D217 H218 Y219	T213-R215 VanDerWaalsContact C-N 3.27Å; T213-R215 PolarHBondContact OG1-N 3.17Å; T213-R215 PolarHBondContact OG1-O 3.31Å; R215-D217 VanDerWaalsContact C-N 3.33Å; R215-H218 HydrophobicContact CB-CB 4.39Å; R215-H218 PolarHBondContact O-N 2.97Å; R215-Y219 PolarHBondContact O-N 2.87Å; R215-Y219 VanDerWaalsContact O-N 3.14Å
216	Y	78	Confident	73.3	Confident	148 Å²	148	74.7 Å²	74.7	58%	0.58	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-34.4	177.8	-170	-101.5	0	0	0	112	I204 H218 Y219 I220	I204-Y216 HydrophobicContact CD1-CD2 4Å; Y216-H218 PolarHBondContact O-N 3.15Å; Y216-Y219 HydrophobicContact CD2-CD1 4.44Å; Y216-Y219 HydrophobicContact CE2-CD1 4.45Å; Y216-Y219 CarbonylContact O-C 3.45Å; Y216-Y219 WeakPolarHBondContact O-CA 3.13Å; Y216-Y219 VanDerWaalsContact O-CB 3.29Å; Y216-Y219 WeakPolarHBondContact O-CB 3.49Å; Y216-Y219 PolarHBondContact O-N 3.15Å; Y216-I220 HydrophobicContact CD1-CG1 3.76Å; Y216-I220 HydrophobicContact CE1-CD1 3.92Å; Y216-I220 HydrophobicContact CE1-CG1 3.41Å; Y216-I220 VanDerWaalsContact CE1-CG1 3.41Å; Y216-I220 HydrophobicContact CE2-CD1 4.21Å; Y216-I220 HydrophobicContact CE2-CG1 4.33Å; Y216-I220 HydrophobicContact CG-CG1 4.36Å; Y216-I220 WeakPolarHBondContact O-CG1 3.45Å; Y216-I220 PolarHBondContact O-N 3.26Å
217	D	78.1	Confident	72.7	Confident	90 Å²	90	79.1 Å²	79.1	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-64.3	-42.3	-179.9	-25.3	-70.6	0	0	0	111.4	R215 Y219 A221	R215-D217 VanDerWaalsContact C-N 3.33Å; D217-Y219 VanDerWaalsContact C-N 3.31Å; D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.47Å; D217-A221 PolarHBondContact O-N 3.28Å
218	H	79.3	Confident	72.6	Confident	90 Å²	90	79 Å²	79	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-70.1	-28.4	172.9	-61.3	-26.5	0	0	0	112	R215 Y216 H222	R215-H218 HydrophobicContact CB-CB 4.39Å; R215-H218 PolarHBondContact O-N 2.97Å; Y216-H218 PolarHBondContact O-N 3.15Å; H218-H222 WeakPolarHBondContact O-CB 3.31Å; H218-H222 PolarHBondContact O-N 2.87Å
219	Y	77.1	Confident	72.6	Confident	41 Å²	41	77.4 Å²	77.4	16%	0.161	38%	0.381	C	S	.	.	H	α-helix	trans	-69.9	-46.3	173.3	-176.8	-114.5	0	0	0	111.8	I204 C206 T213 R215 Y216 D217 H222 L223	I204-Y219 HydrophobicContact CB-CD2 4.28Å; I204-Y219 HydrophobicContact CB-CG 4.29Å; I204-Y219 HydrophobicContact CG2-CD1 3.68Å; I204-Y219 HydrophobicContact CG2-CD2 3.51Å; I204-Y219 HydrophobicContact CG2-CE1 3.81Å; I204-Y219 HydrophobicContact CG2-CE2 3.67Å; I204-Y219 HydrophobicContact CG2-CG 3.52Å; C206-Y219 HydrophobicContact CB-CE2 3.97Å; T213-Y219 HydrophobicContact CG2-CD2 4.22Å; T213-Y219 HydrophobicContact CG2-CG 4.46Å; R215-Y219 PolarHBondContact O-N 2.87Å; R215-Y219 VanDerWaalsContact O-N 3.14Å; Y216-Y219 HydrophobicContact CD2-CD1 4.44Å; Y216-Y219 HydrophobicContact CE2-CD1 4.45Å; Y216-Y219 CarbonylContact O-C 3.45Å; Y216-Y219 WeakPolarHBondContact O-CA 3.13Å; Y216-Y219 VanDerWaalsContact O-CB 3.29Å; Y216-Y219 WeakPolarHBondContact O-CB 3.49Å; Y216-Y219 PolarHBondContact O-N 3.15Å; D217-Y219 VanDerWaalsContact C-N 3.31Å; Y219-H222 CarbonylContact O-C 3.58Å; Y219-H222 WeakPolarHBondContact O-CB 3.47Å; Y219-H222 PolarHBondContact O-N 2.84Å; Y219-L223 HydrophobicContact CD1-CD1 4.09Å; Y219-L223 HydrophobicContact CD1-CG 4.45Å; Y219-L223 HydrophobicContact CE1-CD1 3.5Å; Y219-L223 HydrophobicContact CE1-CG 4.1Å; Y219-L223 HydrophobicContact CE2-CD1 4.49Å; Y219-L223 HydrophobicContact CE2-CD2 4.32Å; Y219-L223 HydrophobicContact CE2-CG 4.29Å; Y219-L223 WeakPolarHBondContact O-CG 3.47Å; Y219-L223 PolarHBondContact O-N 2.92Å
220	I	77.5	Confident	72.2	Confident	46 Å²	46	77.6 Å²	77.6	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-69.6	-39.3	177.6	-64.3	-53	0	0	0	111.5	Y216 H222 L223 K224	Y216-I220 HydrophobicContact CD1-CG1 3.76Å; Y216-I220 HydrophobicContact CE1-CD1 3.92Å; Y216-I220 HydrophobicContact CE1-CG1 3.41Å; Y216-I220 VanDerWaalsContact CE1-CG1 3.41Å; Y216-I220 HydrophobicContact CE2-CD1 4.21Å; Y216-I220 HydrophobicContact CE2-CG1 4.33Å; Y216-I220 HydrophobicContact CG-CG1 4.36Å; Y216-I220 WeakPolarHBondContact O-CG1 3.45Å; Y216-I220 PolarHBondContact O-N 3.26Å; I220-H222 VanDerWaalsContact C-N 3.26Å; I220-H222 PolarHBondContact O-N 3.12Å; I220-L223 HydrophobicContact CD1-CD1 4.25Å; I220-L223 PolarHBondContact O-N 3.21Å; I220-K224 HydrophobicContact CG2-CD 4.22Å; I220-K224 WeakPolarHBondContact O-CB 3.44Å; I220-K224 VanDerWaalsContact O-CG 3.29Å; I220-K224 WeakPolarHBondContact O-CG 3.35Å; I220-K224 PolarHBondContact O-N 3.39Å
221	A	76.8	Confident	71.4	Confident	48 Å²	48	82.8 Å²	82.8	40%	0.397	41%	0.412	S	S	.	.	H	α-helix	trans	-58.6	-40.9	170	0	0	0	0	0	111.3	D217 K224 H225	D217-A221 VanDerWaalsContact O-CB 3.25Å; D217-A221 WeakPolarHBondContact O-CB 3.47Å; D217-A221 PolarHBondContact O-N 3.28Å; A221-K224 PolarHBondContact O-N 3.32Å; A221-H225 PolarHBondContact O-CD2 3.1Å; A221-H225 PolarHBondContact O-N 2.94Å
222	H	76	Confident	70.4	Confident	17 Å²	17	84.8 Å²	84.8	8%	0.079	43%	0.428	C	S	.	.	H	α-helix	trans	-67.9	-42	176.1	176.7	80.6	0	0	0	113.3	C206 C209 Y211 H218 Y219 I220 K224 H225 H226	C206-H222 WeakPolarHBondContact CB-NE2 3.43Å; C206-H222 PolarHBondContact SG-NE2 3.44Å; C206-H222 VanDerWaalsContact SG-NE2 3.4Å; C209-H222 PolarHBondContact SG-CE1 3.4Å; C209-H222 PolarHBondContact SG-NE2 2.98Å; Y211-H222 VanDerWaalsContact CB-CE1 3.46Å; Y211-H222 WeakPolarHBondContact CB-CE1 3.43Å; Y211-H222 HydrophobicContact CD1-CB 3.98Å; Y211-H222 AromaticContact CD1-CD2 3.64Å; Y211-H222 AromaticContact CD1-CE1 3.71Å; Y211-H222 AromaticContact CD1-CG 3.42Å; Y211-H222 VanDerWaalsContact CD1-CG 3.42Å; Y211-H222 AromaticContact CD1-ND1 3.48Å; Y211-H222 WeakPolarHBondContact CD1-ND1 3.49Å; Y211-H222 AromaticContact CD1-NE2 3.81Å; Y211-H222 HydrophobicContact CE1-CB 3.93Å; Y211-H222 AromaticContact CE1-CG 3.86Å; Y211-H222 AromaticContact CG-CE1 3.66Å; Y211-H222 AromaticContact CG-ND1 3.78Å; Y211-H222 AromaticContact CG-NE2 3.97Å; H218-H222 WeakPolarHBondContact O-CB 3.31Å; H218-H222 PolarHBondContact O-N 2.87Å; Y219-H222 CarbonylContact O-C 3.58Å; Y219-H222 WeakPolarHBondContact O-CB 3.47Å; Y219-H222 PolarHBondContact O-N 2.84Å; I220-H222 VanDerWaalsContact C-N 3.26Å; I220-H222 PolarHBondContact O-N 3.12Å; H222-K224 VanDerWaalsContact C-N 3.29Å; H222-K224 PolarHBondContact O-N 3.45Å; H222-H225 WeakPolarHBondContact O-CB 3.36Å; H222-H225 PolarHBondContact O-N 3.21Å; H222-H225 VanDerWaalsContact O-N 3.08Å; H222-H226 AromaticContact CD2-CD2 3.79Å; H222-H226 AromaticContact CD2-NE2 3.72Å; H222-H226 AromaticContact CE1-NE2 3.42Å; H222-H226 PolarHBondContact CE1-NE2 2.88Å; H222-H226 AromaticContact NE2-CD2 3.51Å; H222-H226 AromaticContact NE2-NE2 2.94Å; H222-H226 PolarHBondContact NE2-NE2 3.5Å; H222-H226 PolarHBondContact O-CD2 3.1Å; H222-H226 PolarHBondContact O-N 2.91Å
223	L	72.8	Confident	69.9	Low	56 Å²	56	85.6 Å²	85.6	29%	0.293	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-33.8	172.9	-70.4	-173.6	0	0	0	112.2	Y219 I220 H225 H226 S227	Y219-L223 HydrophobicContact CD1-CD1 4.09Å; Y219-L223 HydrophobicContact CD1-CG 4.45Å; Y219-L223 HydrophobicContact CE1-CD1 3.5Å; Y219-L223 HydrophobicContact CE1-CG 4.1Å; Y219-L223 HydrophobicContact CE2-CD1 4.49Å; Y219-L223 HydrophobicContact CE2-CD2 4.32Å; Y219-L223 HydrophobicContact CE2-CG 4.29Å; Y219-L223 WeakPolarHBondContact O-CG 3.47Å; Y219-L223 PolarHBondContact O-N 2.92Å; I220-L223 HydrophobicContact CD1-CD1 4.25Å; I220-L223 PolarHBondContact O-N 3.21Å; L223-H225 PolarHBondContact O-N 3.37Å; L223-H226 PolarHBondContact O-N 3.5Å; L223-H226 VanDerWaalsContact O-N 3.12Å; L223-S227 PolarHBondContact O-N 3.44Å
224	K	73.2	Confident	69.2	Low	133 Å²	133	93.8 Å²	93.8	58%	0.578	46%	0.458	S	S	*	.	H	α-helix	trans	-67.5	-9.3	172.4	-74.2	175.9	178.7	-177.2	0	114.2	I220 A221 H222 K228	I220-K224 HydrophobicContact CG2-CD 4.22Å; I220-K224 WeakPolarHBondContact O-CB 3.44Å; I220-K224 VanDerWaalsContact O-CG 3.29Å; I220-K224 WeakPolarHBondContact O-CG 3.35Å; I220-K224 PolarHBondContact O-N 3.39Å; A221-K224 PolarHBondContact O-N 3.32Å; H222-K224 VanDerWaalsContact C-N 3.29Å; H222-K224 PolarHBondContact O-N 3.45Å; K224-K228 WeakPolarHBondContact O-CG 3.08Å
225	H	64.9	Low	68.9	Low	101 Å²	101	91.3 Å²	91.3	47%	0.468	45%	0.447	S	S	.	.	H	α-helix	trans	-84	-50	163.3	-74.7	-77	0	0	0	111	A221 H222 L223 S227 K228 E229	A221-H225 PolarHBondContact O-CD2 3.1Å; A221-H225 PolarHBondContact O-N 2.94Å; H222-H225 WeakPolarHBondContact O-CB 3.36Å; H222-H225 PolarHBondContact O-N 3.21Å; H222-H225 VanDerWaalsContact O-N 3.08Å; L223-H225 PolarHBondContact O-N 3.37Å; H225-S227 VanDerWaalsContact C-N 3.26Å; H225-S227 PolarHBondContact O-N 3.05Å; H225-K228 WeakPolarHBondContact O-CA 3.48Å; H225-K228 PolarHBondContact O-N 3.37Å; H225-E229 WeakPolarHBondContact O-CG 3.34Å; H225-E229 PolarHBondContact O-N 2.97Å
226	H	66.3	Low	68.5	Low	19 Å²	19	86 Å²	86	9%	0.088	43%	0.428	C	S	.	.	H	α-helix	trans	-55.7	-38.4	176	-72.2	-73.4	0	0	0	113.5	R208 C209 H222 L223 K228 E229	R208-H226 VanDerWaalsContact CD-ND1 3.33Å; R208-H226 WeakPolarHBondContact CD-ND1 3.42Å; R208-H226 PolarHBondContact NE-ND1 3.15Å; C209-H226 PolarHBondContact SG-NE2 3.26Å; H222-H226 AromaticContact CD2-CD2 3.79Å; H222-H226 AromaticContact CD2-NE2 3.72Å; H222-H226 AromaticContact CE1-NE2 3.42Å; H222-H226 PolarHBondContact CE1-NE2 2.88Å; H222-H226 AromaticContact NE2-CD2 3.51Å; H222-H226 AromaticContact NE2-NE2 2.94Å; H222-H226 PolarHBondContact NE2-NE2 3.5Å; H222-H226 PolarHBondContact O-CD2 3.1Å; H222-H226 PolarHBondContact O-N 2.91Å; L223-H226 PolarHBondContact O-N 3.5Å; L223-H226 VanDerWaalsContact O-N 3.12Å; H226-K228 PolarHBondContact O-N 2.64Å; H226-E229 PolarHBondContact O-N 3.07Å
227	S	66.5	Low	68.3	Low	94 Å²	94	86 Å²	86	66%	0.657	43%	0.431	S	S	*	.	H	α-helix	trans	-70.9	-9.8	177.7	74.8	0	0	0	0	114.1	L223 H225	L223-S227 PolarHBondContact O-N 3.44Å; H225-S227 VanDerWaalsContact C-N 3.26Å; H225-S227 PolarHBondContact O-N 3.05Å
228	K	61.4	Low	68.4	Low	181 Å²	181	82.2 Å²	82.2	79%	0.787	41%	0.412	S	S	*	.	H	α-helix	trans	-105.7	-19	173.7	-68.7	-174.4	176.8	-167.5	0	113.2	K224 H225 H226	K224-K228 WeakPolarHBondContact O-CG 3.08Å; H225-K228 WeakPolarHBondContact O-CA 3.48Å; H225-K228 PolarHBondContact O-N 3.37Å; H226-K228 PolarHBondContact O-N 2.64Å
229	E	59.9	Low	68.2	Low	51 Å²	51	83.6 Å²	83.6	24%	0.238	43%	0.427	C	S	.	.	H	α-helix	trans	-89.1	-4.4	-176.8	-72.4	173.2	169.3	0	0	113	H225 H226 Q248	H225-E229 WeakPolarHBondContact O-CG 3.34Å; H225-E229 PolarHBondContact O-N 2.97Å; H226-E229 PolarHBondContact O-N 3.07Å; E229-Q248 WeakPolarHBondContact OE1-CB 3.33Å
230	G	56	Low	68	Low	41 Å²	41	86 Å²	86	42%	0.423	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-172.4	-177.9	0	0	0	0	0	112.3	R208 D232	R208-G230 PolarHBondContact NH2-O 3.47Å; G230-D232 PolarHBondContact O-N 3.27Å
231	N	51.7	Low	68.1	Low	129 Å²	129	86.5 Å²	86.5	69%	0.69	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	12.5	177.1	-77.7	-19	0	0	0	114.1	R208 H233	R208-N231 PolarHBondContact NH1-OD1 2.96Å; R208-N231 PolarHBondContact NH2-OD1 3.47Å; N231-H233 PolarHBondContact O-N 2.87Å
232	D	55	Low	68.1	Low	119 Å²	119	89 Å²	89	64%	0.636	47%	0.47	S	S	*	.			trans	-73.8	95	174.7	-76.7	13.4	0	0	0	110.4	G230 R234	G230-D232 PolarHBondContact O-N 3.27Å; D232-R234 HydrophobicContact CB-CB 4.35Å; D232-R234 PolarHBondContact O-N 3.38Å
233	H	59.8	Low	68.2	Low	116 Å²	116	92.6 Å²	92.6	54%	0.537	48%	0.483	S	S	.	.			trans	-69.3	49.8	164.3	-76.4	-87.9	0	0	0	111.6	R208 N231 V235	R208-H233 PolarHBondContact O-CE1 3.21Å; N231-H233 PolarHBondContact O-N 2.87Å; H233-V235 VanDerWaalsContact C-N 3.34Å; H233-V235 PolarHBondContact O-N 3.22Å
234	R	65.9	Low	68.4	Low	184 Å²	184	93.5 Å²	93.5	69%	0.694	49%	0.491	S	S	*	.			trans	-76	84.6	-174.8	-162.3	171.5	-164.2	-179.9	5.5	109.8	D232 F236	D232-R234 HydrophobicContact CB-CB 4.35Å; D232-R234 PolarHBondContact O-N 3.38Å; R234-F236 WeakPolarHBondContact O-CD2 3.37Å; R234-F236 WeakPolarHBondContact O-CE2 3.4Å; R234-F236 PolarHBondContact O-N 3.37Å
235	V	70.5	Confident	68.7	Low	65 Å²	65	88.2 Å²	88.2	39%	0.394	47%	0.47	S	S	.	.			trans	-52	107.1	173.8	178.9	0	0	0	0	109	H233 K237	H233-V235 VanDerWaalsContact C-N 3.34Å; H233-V235 PolarHBondContact O-N 3.22Å; V235-K237 PolarHBondContact O-N 3.28Å
236	F	72.9	Confident	69.1	Low	37 Å²	37	85.9 Å²	85.9	16%	0.162	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	97.8	-177.9	-62.5	-88.9	0	0	0	108.9	R234 T244 T245 Q248 W251	R234-F236 WeakPolarHBondContact O-CD2 3.37Å; R234-F236 WeakPolarHBondContact O-CE2 3.4Å; R234-F236 PolarHBondContact O-N 3.37Å; F236-T244 WeakPolarHBondContact O-CA 3.34Å; F236-T245 WeakPolarHBondContact CA-O 3.17Å; F236-T245 WeakPolarHBondContact CB-O 3.25Å; F236-T245 PolarHBondContact N-O 2.83Å; F236-T245 PolarHBondContact O-N 2.91Å; F236-Q248 HydrophobicContact CD1-CG 4.41Å; F236-Q248 HydrophobicContact CD2-CB 4.28Å; F236-Q248 HydrophobicContact CE1-CB 4.1Å; F236-Q248 HydrophobicContact CE1-CG 3.8Å; F236-Q248 HydrophobicContact CE2-CB 3.66Å; F236-Q248 HydrophobicContact CE2-CG 4.3Å; F236-Q248 HydrophobicContact CZ-CB 3.57Å; F236-Q248 HydrophobicContact CZ-CG 3.75Å; F236-W251 HydrophobicContact CB-CB 3.51Å; F236-W251 HydrophobicContact CB-CD2 3.91Å; F236-W251 HydrophobicContact CB-CG 3.41Å; F236-W251 VanDerWaalsContact CB-CG 3.41Å; F236-W251 HydrophobicContact CD1-CD2 4.12Å; F236-W251 HydrophobicContact CD1-CE3 4.11Å; F236-W251 HydrophobicContact CD1-CG 4.47Å; F236-W251 HydrophobicContact CD1-CZ3 4.47Å; F236-W251 HydrophobicContact CG-CB 4.19Å; F236-W251 HydrophobicContact CG-CD2 4.35Å; F236-W251 HydrophobicContact CG-CG 4.21Å
237	K	73	Confident	69.7	Low	147 Å²	147	86.2 Å²	86.2	64%	0.639	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.3	173.8	-52.1	-175.2	-175.9	176.6	0	109	V235 T244 W251	V235-K237 PolarHBondContact O-N 3.28Å; K237-T244 HydrophobicContact CB-CG2 4.08Å; K237-T244 HydrophobicContact CG-CG2 3.82Å; K237-W251 PolarHBondContact O-NE1 2.75Å
238	C	79.6	Confident	70	Confident	12 Å²	12	86 Å²	86	8%	0.081	46%	0.456	C	S	.	.			trans	-71.4	138.3	167.3	-176.6	0	0	0	0	109.2	L240 C241 Y243 H254 H258	C238-L240 VanDerWaalsContact C-N 3.28Å; C238-L240 PolarHBondContact SG-N 3.32Å; C238-C241 WeakPolarHBondContact CB-O 3.44Å; C238-C241 VanDerWaalsContact O-O 3.12Å; C238-Y243 WeakPolarHBondContact CB-O 3.38Å; C238-Y243 PolarHBondContact N-O 3.2Å; C238-H254 PolarHBondContact SG-NE2 3.26Å; C238-H254 VanDerWaalsContact SG-NE2 3.44Å; C238-H258 VanDerWaalsContact SG-CD2 3.58Å; C238-H258 PolarHBondContact SG-NE2 2.97Å; C238-H258 VanDerWaalsContact SG-NE2 3.43Å
239	T	75.6	Confident	70.5	Confident	119 Å²	119	84.5 Å²	84.5	73%	0.73	45%	0.447	S	S	*	.	S	Bend	trans	-81.7	-8	174.9	46.5	0	0	0	0	113.1
240	L	73.3	Confident	71.2	Confident	90 Å²	90	85.2 Å²	85.2	47%	0.471	45%	0.45	S	S	.	.	S	Bend	trans	-118.5	-10.6	-171.2	-59.1	176	0	0	0	113.6	C238 H258 F259	C238-L240 VanDerWaalsContact C-N 3.28Å; C238-L240 PolarHBondContact SG-N 3.32Å; L240-H258 HydrophobicContact CB-CB 4.29Å; L240-H258 HydrophobicContact CD1-CB 3.56Å; L240-F259 HydrophobicContact CD1-CD2 4.33Å; L240-F259 HydrophobicContact CD1-CE1 4.31Å; L240-F259 HydrophobicContact CD1-CE2 3.65Å; L240-F259 HydrophobicContact CD1-CZ 3.65Å
241	C	78.3	Confident	72.2	Confident	57 Å²	57	86.4 Å²	86.4	39%	0.385	44%	0.442	S	S	.	.	S	Bend	trans	-158.3	174.4	162.6	74.2	0	0	0	0	111.4	C238 Y243 H254 H258	C238-C241 WeakPolarHBondContact CB-O 3.44Å; C238-C241 VanDerWaalsContact O-O 3.12Å; C241-Y243 PolarHBondContact O-N 3.36Å; C241-H254 VanDerWaalsContact SG-CE1 3.52Å; C241-H254 PolarHBondContact SG-NE2 3.4Å; C241-H258 PolarHBondContact SG-NE2 2.87Å; C241-H258 VanDerWaalsContact SG-NE2 3.38Å
242	A	78.6	Confident	73.2	Confident	102 Å²	102	88.5 Å²	88.5	84%	0.843	44%	0.44	S	S	*	.	S	Bend	trans	-69.1	11.6	-177.6	0	0	0	0	0	115.9
243	Y	76.4	Confident	74.2	Confident	91 Å²	91	87.4 Å²	87.4	36%	0.357	43%	0.429	S	S	.	.			trans	-71.9	133.2	177.8	-173.9	-102.4	0	0	0	111.2	C238 C241 T245 H254	C238-Y243 WeakPolarHBondContact CB-O 3.38Å; C238-Y243 PolarHBondContact N-O 3.2Å; C241-Y243 PolarHBondContact O-N 3.36Å; Y243-T245 HydrophobicContact CD1-CG2 4.29Å; Y243-T245 HydrophobicContact CE1-CG2 3.41Å; Y243-T245 VanDerWaalsContact CE1-CG2 3.41Å; Y243-T245 HydrophobicContact CE2-CG2 4.34Å; Y243-T245 VanDerWaalsContact CZ-CG2 3.44Å; Y243-T245 WeakPolarHBondContact OH-CG2 3.08Å; Y243-H254 WeakPolarHBondContact CB-CE1 3.28Å; Y243-H254 WeakPolarHBondContact CB-NE2 3.29Å; Y243-H254 HydrophobicContact CD1-CB 3.74Å; Y243-H254 AromaticContact CD1-CD2 3.4Å; Y243-H254 VanDerWaalsContact CD1-CD2 3.4Å; Y243-H254 WeakPolarHBondContact CD1-CD2 3.47Å; Y243-H254 AromaticContact CD1-CE1 3.7Å; Y243-H254 AromaticContact CD1-CG 3.22Å; Y243-H254 AromaticContact CD1-ND1 3.43Å; Y243-H254 WeakPolarHBondContact CD1-ND1 3.47Å; Y243-H254 AromaticContact CD1-NE2 3.7Å; Y243-H254 HydrophobicContact CE1-CB 3.47Å; Y243-H254 VanDerWaalsContact CE1-CB 3.47Å; Y243-H254 AromaticContact CE1-CG 3.49Å; Y243-H254 VanDerWaalsContact CE1-CG 3.49Å; Y243-H254 AromaticContact CE1-ND1 3.77Å; Y243-H254 AromaticContact CG-CD2 3.96Å; Y243-H254 AromaticContact CG-CE1 3.5Å; Y243-H254 VanDerWaalsContact CG-CE1 3.5Å; Y243-H254 AromaticContact CG-CG 3.84Å; Y243-H254 AromaticContact CG-ND1 3.56Å; Y243-H254 AromaticContact CG-NE2 3.75Å
244	T	78.2	Confident	75	Confident	75 Å²	75	83.3 Å²	83.3	46%	0.46	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.7	177.7	72.2	0	0	0	0	110.4	F236 K237	F236-T244 WeakPolarHBondContact O-CA 3.34Å; K237-T244 HydrophobicContact CB-CG2 4.08Å; K237-T244 HydrophobicContact CG-CG2 3.82Å
245	T	79.5	Confident	75.3	Confident	22 Å²	22	75.8 Å²	75.8	14%	0.135	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.1	177.1	49.6	0	0	0	0	111.9	F236 Y243 S247 H250 W251	F236-T245 WeakPolarHBondContact CA-O 3.17Å; F236-T245 WeakPolarHBondContact CB-O 3.25Å; F236-T245 PolarHBondContact N-O 2.83Å; F236-T245 PolarHBondContact O-N 2.91Å; Y243-T245 HydrophobicContact CD1-CG2 4.29Å; Y243-T245 HydrophobicContact CE1-CG2 3.41Å; Y243-T245 VanDerWaalsContact CE1-CG2 3.41Å; Y243-T245 HydrophobicContact CE2-CG2 4.34Å; Y243-T245 VanDerWaalsContact CZ-CG2 3.44Å; Y243-T245 WeakPolarHBondContact OH-CG2 3.08Å; T245-S247 VanDerWaalsContact C-N 3.26Å; T245-S247 PolarHBondContact O-N 2.82Å; T245-S247 PolarHBondContact OG1-O 3.32Å; T245-H250 HydrophobicContact CG2-CB 3.97Å; T245-W251 WeakPolarHBondContact OG1-CB 3.05Å; T245-W251 PolarHBondContact OG1-N 3.43Å
246	V	72.9	Confident	75.5	Confident	52 Å²	52	77.6 Å²	77.6	32%	0.315	38%	0.384	S	S	.	.	S	Bend	trans	-70.9	-21.4	173.8	-169	0	0	0	0	112.2	C209	C209-V246 HydrophobicContact CB-CB 3.88Å; C209-V246 HydrophobicContact CB-CG1 3.56Å; C209-V246 HydrophobicContact CB-CG2 4.46Å
247	S	78.4	Confident	75.2	Confident	27 Å²	27	81.5 Å²	81.5	19%	0.189	41%	0.406	C	S	.	.			trans	-97.8	122.1	-176.8	173.2	0	0	0	0	112.4	T245 Y249 H250 W251	T245-S247 VanDerWaalsContact C-N 3.26Å; T245-S247 PolarHBondContact O-N 2.82Å; T245-S247 PolarHBondContact OG1-O 3.32Å; S247-Y249 VanDerWaalsContact C-N 3.25Å; S247-Y249 PolarHBondContact O-N 3.32Å; S247-H250 WeakPolarHBondContact CB-ND1 3.38Å; S247-H250 PolarHBondContact O-N 3.15Å; S247-H250 VanDerWaalsContact O-N 3.1Å; S247-H250 PolarHBondContact OG-ND1 3.01Å; S247-W251 PolarHBondContact O-N 2.91Å
248	Q	73.1	Confident	75	Confident	88 Å²	88	77.3 Å²	77.3	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-55.8	-39.2	178	-166.2	-166.4	79.3	0	0	112.3	E229 F236 H250 W251 R252	E229-Q248 WeakPolarHBondContact OE1-CB 3.33Å; F236-Q248 HydrophobicContact CD1-CG 4.41Å; F236-Q248 HydrophobicContact CD2-CB 4.28Å; F236-Q248 HydrophobicContact CE1-CB 4.1Å; F236-Q248 HydrophobicContact CE1-CG 3.8Å; F236-Q248 HydrophobicContact CE2-CB 3.66Å; F236-Q248 HydrophobicContact CE2-CG 4.3Å; F236-Q248 HydrophobicContact CZ-CB 3.57Å; F236-Q248 HydrophobicContact CZ-CG 3.75Å; Q248-H250 PolarHBondContact O-N 2.77Å; Q248-W251 PolarHBondContact O-N 3.11Å; Q248-R252 VanDerWaalsContact O-CB 3.3Å; Q248-R252 WeakPolarHBondContact O-CB 3.41Å; Q248-R252 PolarHBondContact O-N 2.84Å
249	Y	72.8	Confident	74.3	Confident	150 Å²	150	81.5 Å²	81.5	59%	0.588	41%	0.406	S	S	*	.	H	α-helix	trans	-60.1	-43.4	177.5	172.7	-104.1	0	0	0	112.6	S247 R252 K253	S247-Y249 VanDerWaalsContact C-N 3.25Å; S247-Y249 PolarHBondContact O-N 3.32Å; Y249-R252 PolarHBondContact O-N 2.65Å; Y249-K253 WeakPolarHBondContact O-CB 3.31Å; Y249-K253 PolarHBondContact O-N 3.08Å
250	H	73.8	Confident	73.6	Confident	67 Å²	67	79 Å²	79	31%	0.31	39%	0.391	S	S	.	.	H	α-helix	trans	-69.8	-41.5	-178.9	-70.1	85.3	0	0	0	111.4	T245 S247 Q248 K253 H254	T245-H250 HydrophobicContact CG2-CB 3.97Å; S247-H250 WeakPolarHBondContact CB-ND1 3.38Å; S247-H250 PolarHBondContact O-N 3.15Å; S247-H250 VanDerWaalsContact O-N 3.1Å; S247-H250 PolarHBondContact OG-ND1 3.01Å; Q248-H250 PolarHBondContact O-N 2.77Å; H250-K253 PolarHBondContact O-N 3.02Å; H250-H254 VanDerWaalsContact O-CB 3.31Å; H250-H254 WeakPolarHBondContact O-CB 3.49Å; H250-H254 PolarHBondContact O-N 3.34Å
251	W	77.1	Confident	73	Confident	65 Å²	65	79.7 Å²	79.7	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-61.3	-46.9	171.1	174.6	85.9	0	0	0	112.6	F236 K237 T245 S247 Q248 K253 H254 L255	F236-W251 HydrophobicContact CB-CB 3.51Å; F236-W251 HydrophobicContact CB-CD2 3.91Å; F236-W251 HydrophobicContact CB-CG 3.41Å; F236-W251 VanDerWaalsContact CB-CG 3.41Å; F236-W251 HydrophobicContact CD1-CD2 4.12Å; F236-W251 HydrophobicContact CD1-CE3 4.11Å; F236-W251 HydrophobicContact CD1-CG 4.47Å; F236-W251 HydrophobicContact CD1-CZ3 4.47Å; F236-W251 HydrophobicContact CG-CB 4.19Å; F236-W251 HydrophobicContact CG-CD2 4.35Å; F236-W251 HydrophobicContact CG-CG 4.21Å; K237-W251 PolarHBondContact O-NE1 2.75Å; T245-W251 WeakPolarHBondContact OG1-CB 3.05Å; T245-W251 PolarHBondContact OG1-N 3.43Å; S247-W251 PolarHBondContact O-N 2.91Å; Q248-W251 PolarHBondContact O-N 3.11Å; W251-K253 VanDerWaalsContact C-N 3.31Å; W251-K253 PolarHBondContact O-N 2.86Å; W251-H254 CarbonylContact O-C 3.58Å; W251-H254 WeakPolarHBondContact O-CB 3.26Å; W251-H254 PolarHBondContact O-N 2.96Å; W251-H254 VanDerWaalsContact O-N 3.11Å; W251-L255 HydrophobicContact CD2-CD1 3.82Å; W251-L255 HydrophobicContact CD2-CG 4.27Å; W251-L255 HydrophobicContact CE3-CD1 4.01Å; W251-L255 HydrophobicContact CH2-CD1 3.68Å; W251-L255 HydrophobicContact CZ2-CD1 3.47Å; W251-L255 VanDerWaalsContact CZ2-CD1 3.47Å; W251-L255 HydrophobicContact CZ2-CG 4.49Å; W251-L255 HydrophobicContact CZ3-CD1 3.94Å; W251-L255 PolarHBondContact O-N 2.87Å
252	R	72.6	Confident	72.2	Confident	173 Å²	173	85 Å²	85	65%	0.653	42%	0.42	S	S	*	.	H	α-helix	trans	-69.6	-28.4	-178.3	-155.6	172.1	85.2	129	-1.9	112.7	Q248 Y249	Q248-R252 VanDerWaalsContact O-CB 3.3Å; Q248-R252 WeakPolarHBondContact O-CB 3.41Å; Q248-R252 PolarHBondContact O-N 2.84Å; Y249-R252 PolarHBondContact O-N 2.65Å
253	K	75.1	Confident	72	Confident	96 Å²	96	81 Å²	81	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-67.6	-48.8	166.7	-176.7	-173.6	173.2	-165.6	0	110.8	Y249 H250 W251 L255 R256 N257	Y249-K253 WeakPolarHBondContact O-CB 3.31Å; Y249-K253 PolarHBondContact O-N 3.08Å; H250-K253 PolarHBondContact O-N 3.02Å; W251-K253 VanDerWaalsContact C-N 3.31Å; W251-K253 PolarHBondContact O-N 2.86Å; K253-L255 PolarHBondContact O-N 3.18Å; K253-R256 WeakPolarHBondContact O-CB 3.26Å; K253-R256 PolarHBondContact O-N 2.93Å; K253-N257 PolarHBondContact O-OD1 3.16Å
254	H	77.9	Confident	72.1	Confident	31 Å²	31	80.1 Å²	80.1	14%	0.144	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-40.4	179.4	171.6	85.2	0	0	0	113.2	C238 C241 Y243 H250 W251 R256 N257 H258	C238-H254 PolarHBondContact SG-NE2 3.26Å; C238-H254 VanDerWaalsContact SG-NE2 3.44Å; C241-H254 VanDerWaalsContact SG-CE1 3.52Å; C241-H254 PolarHBondContact SG-NE2 3.4Å; Y243-H254 WeakPolarHBondContact CB-CE1 3.28Å; Y243-H254 WeakPolarHBondContact CB-NE2 3.29Å; Y243-H254 HydrophobicContact CD1-CB 3.74Å; Y243-H254 AromaticContact CD1-CD2 3.4Å; Y243-H254 VanDerWaalsContact CD1-CD2 3.4Å; Y243-H254 WeakPolarHBondContact CD1-CD2 3.47Å; Y243-H254 AromaticContact CD1-CE1 3.7Å; Y243-H254 AromaticContact CD1-CG 3.22Å; Y243-H254 AromaticContact CD1-ND1 3.43Å; Y243-H254 WeakPolarHBondContact CD1-ND1 3.47Å; Y243-H254 AromaticContact CD1-NE2 3.7Å; Y243-H254 HydrophobicContact CE1-CB 3.47Å; Y243-H254 VanDerWaalsContact CE1-CB 3.47Å; Y243-H254 AromaticContact CE1-CG 3.49Å; Y243-H254 VanDerWaalsContact CE1-CG 3.49Å; Y243-H254 AromaticContact CE1-ND1 3.77Å; Y243-H254 AromaticContact CG-CD2 3.96Å; Y243-H254 AromaticContact CG-CE1 3.5Å; Y243-H254 VanDerWaalsContact CG-CE1 3.5Å; Y243-H254 AromaticContact CG-CG 3.84Å; Y243-H254 AromaticContact CG-ND1 3.56Å; Y243-H254 AromaticContact CG-NE2 3.75Å; H250-H254 VanDerWaalsContact O-CB 3.31Å; H250-H254 WeakPolarHBondContact O-CB 3.49Å; H250-H254 PolarHBondContact O-N 3.34Å; W251-H254 CarbonylContact O-C 3.58Å; W251-H254 WeakPolarHBondContact O-CB 3.26Å; W251-H254 PolarHBondContact O-N 2.96Å; W251-H254 VanDerWaalsContact O-N 3.11Å; H254-R256 PolarHBondContact O-N 3.35Å; H254-N257 VanDerWaalsContact O-CB 3.3Å; H254-N257 WeakPolarHBondContact O-CB 3.36Å; H254-N257 PolarHBondContact O-N 2.98Å; H254-H258 AromaticContact CD2-CD2 3.84Å; H254-H258 AromaticContact CD2-NE2 3.8Å; H254-H258 AromaticContact CE1-NE2 3.44Å; H254-H258 PolarHBondContact CE1-NE2 3.16Å; H254-H258 AromaticContact NE2-CD2 3.43Å; H254-H258 PolarHBondContact NE2-CD2 3.44Å; H254-H258 AromaticContact NE2-NE2 2.92Å; H254-H258 PolarHBondContact NE2-NE2 3.36Å
255	L	72	Confident	72.2	Confident	25 Å²	25	80.5 Å²	80.5	13%	0.131	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-27.7	173.5	-75.3	-176.5	0	0	0	112.9	W251 K253 N257 H258 F259	W251-L255 HydrophobicContact CD2-CD1 3.82Å; W251-L255 HydrophobicContact CD2-CG 4.27Å; W251-L255 HydrophobicContact CE3-CD1 4.01Å; W251-L255 HydrophobicContact CH2-CD1 3.68Å; W251-L255 HydrophobicContact CZ2-CD1 3.47Å; W251-L255 VanDerWaalsContact CZ2-CD1 3.47Å; W251-L255 HydrophobicContact CZ2-CG 4.49Å; W251-L255 HydrophobicContact CZ3-CD1 3.94Å; W251-L255 PolarHBondContact O-N 2.87Å; K253-L255 PolarHBondContact O-N 3.18Å; L255-N257 PolarHBondContact O-N 3.31Å; L255-H258 PolarHBondContact O-N 3.29Å; L255-F259 HydrophobicContact CD2-CE2 4.41Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 2.9Å
256	R	73.5	Confident	72.6	Confident	103 Å²	103	80.1 Å²	80.1	39%	0.389	39%	0.385	S	S	.	.	H	α-helix	trans	-66.2	-23.2	174.7	-157.2	-171.6	-77.6	-141.3	-15.9	112.5	K253 H254 H258 L263 D274	K253-R256 WeakPolarHBondContact O-CB 3.26Å; K253-R256 PolarHBondContact O-N 2.93Å; H254-R256 PolarHBondContact O-N 3.35Å; R256-H258 VanDerWaalsContact C-N 3.34Å; R256-L263 HydrophobicContact CG-CD2 3.62Å; R256-L263 HydrophobicContact CG-CG 4.43Å; R256-D274 PolarHBondContact NH1-O 2.88Å
257	N	67.4	Low	73	Confident	119 Å²	119	83 Å²	83	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-72.9	-26	171.4	-67.3	68.2	0	0	0	112.8	K253 H254 L255	K253-N257 PolarHBondContact O-OD1 3.16Å; H254-N257 VanDerWaalsContact O-CB 3.3Å; H254-N257 WeakPolarHBondContact O-CB 3.36Å; H254-N257 PolarHBondContact O-N 2.98Å; L255-N257 PolarHBondContact O-N 3.31Å
258	H	68.9	Low	73.2	Confident	59 Å²	59	88 Å²	88	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-92.2	-28.9	179.7	-68.4	-79.3	0	0	0	113.8	C238 L240 C241 H254 L255 R256 P260	C238-H258 VanDerWaalsContact SG-CD2 3.58Å; C238-H258 PolarHBondContact SG-NE2 2.97Å; C238-H258 VanDerWaalsContact SG-NE2 3.43Å; L240-H258 HydrophobicContact CB-CB 4.29Å; L240-H258 HydrophobicContact CD1-CB 3.56Å; C241-H258 PolarHBondContact SG-NE2 2.87Å; C241-H258 VanDerWaalsContact SG-NE2 3.38Å; H254-H258 AromaticContact CD2-CD2 3.84Å; H254-H258 AromaticContact CD2-NE2 3.8Å; H254-H258 AromaticContact CE1-NE2 3.44Å; H254-H258 PolarHBondContact CE1-NE2 3.16Å; H254-H258 AromaticContact NE2-CD2 3.43Å; H254-H258 PolarHBondContact NE2-CD2 3.44Å; H254-H258 AromaticContact NE2-NE2 2.92Å; H254-H258 PolarHBondContact NE2-NE2 3.36Å; L255-H258 PolarHBondContact O-N 3.29Å; R256-H258 VanDerWaalsContact C-N 3.34Å; H258-P260 VanDerWaalsContact C-CD 3.45Å; H258-P260 WeakPolarHBondContact O-CD 3.35Å
259	F	64.9	Low	73.8	Confident	101 Å²	101	86.2 Å²	86.2	44%	0.443	42%	0.424	S	S	.	.			trans	-105.8	82.4	177.5	-68.7	-74.5	0	0	0	110.6	L240 L255 S261 K262	L240-F259 HydrophobicContact CD1-CD2 4.33Å; L240-F259 HydrophobicContact CD1-CE1 4.31Å; L240-F259 HydrophobicContact CD1-CE2 3.65Å; L240-F259 HydrophobicContact CD1-CZ 3.65Å; L255-F259 HydrophobicContact CD2-CE2 4.41Å; L255-F259 WeakPolarHBondContact O-CD2 3.47Å; L255-F259 PolarHBondContact O-N 2.9Å; F259-S261 PolarHBondContact O-N 3.36Å; F259-S261 VanDerWaalsContact O-N 3.09Å; F259-K262 PolarHBondContact O-N 3.36Å; F259-K262 VanDerWaalsContact O-N 3.17Å
260	P	61.3	Low	74.3	Confident	65 Å²	65	84.7 Å²	84.7	42%	0.422	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-62.9	-16	-179.8	26.2	-35.3	0	0	0	113.6	H258 K262 L263	H258-P260 VanDerWaalsContact C-CD 3.45Å; H258-P260 WeakPolarHBondContact O-CD 3.35Å; P260-K262 PolarHBondContact O-N 2.97Å; P260-L263 HydrophobicContact CB-CD1 3.94Å; P260-L263 WeakPolarHBondContact O-CB 3.41Å; P260-L263 PolarHBondContact O-N 2.85Å
261	S	59.7	Low	74.6	Confident	106 Å²	106	85.8 Å²	85.8	74%	0.741	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-63.7	-2.9	171.8	49.2	0	0	0	0	115.3	F259	F259-S261 PolarHBondContact O-N 3.36Å; F259-S261 VanDerWaalsContact O-N 3.09Å
262	K	62	Low	74.9	Confident	167 Å²	167	88.3 Å²	88.3	73%	0.726	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-123.2	23	165.6	-71	-175.2	176.8	174.9	0	113.3	F259 P260	F259-K262 PolarHBondContact O-N 3.36Å; F259-K262 VanDerWaalsContact O-N 3.17Å; P260-K262 PolarHBondContact O-N 2.97Å
263	L	74.3	Confident	75.4	Confident	20 Å²	20	80.4 Å²	80.4	11%	0.105	42%	0.422	C	S	.	.	S	Bend	trans	-99.4	152.4	167	-59.2	174.8	0	0	0	109.2	R256 P260 T265 F272 S273 D274	R256-L263 HydrophobicContact CG-CD2 3.62Å; R256-L263 HydrophobicContact CG-CG 4.43Å; P260-L263 HydrophobicContact CB-CD1 3.94Å; P260-L263 WeakPolarHBondContact O-CB 3.41Å; P260-L263 PolarHBondContact O-N 2.85Å; L263-T265 PolarHBondContact O-N 2.88Å; L263-T265 VanDerWaalsContact O-N 3.16Å; L263-F272 HydrophobicContact CB-CB 4.14Å; L263-F272 HydrophobicContact CD1-CB 4.32Å; L263-F272 HydrophobicContact CD1-CD2 3.4Å; L263-F272 HydrophobicContact CD1-CE2 3.92Å; L263-F272 HydrophobicContact CD1-CG 4.06Å; L263-S273 CarbonylContact C-O 3.59Å; L263-S273 WeakPolarHBondContact CA-O 3.48Å; L263-S273 WeakPolarHBondContact CB-O 3.41Å; L263-D274 HydrophobicContact CD2-CB 4Å
264	H	77.9	Confident	75.5	Confident	72 Å²	72	78.1 Å²	78.1	33%	0.333	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	98.7	169.9	-59.8	-77.4	0	0	0	108.7	F272 S273 K276 Y279	H264-F272 CarbonylContact O-C 3.52Å; H264-F272 WeakPolarHBondContact O-CA 3.49Å; H264-S273 PolarHBondContact N-O 3.34Å; H264-S273 PolarHBondContact O-N 3.07Å; H264-K276 PolarHBondContact CD2-N 3.19Å; H264-K276 PolarHBondContact NE2-N 2.75Å; H264-Y279 HydrophobicContact CB-CD1 3.72Å; H264-Y279 HydrophobicContact CB-CD2 3.68Å; H264-Y279 HydrophobicContact CB-CE1 4.3Å; H264-Y279 HydrophobicContact CB-CE2 4.29Å; H264-Y279 HydrophobicContact CB-CG 3.37Å; H264-Y279 WeakPolarHBondContact O-CD2 3.28Å
265	T	81.6	Confident	75.8	Confident	82 Å²	82	82.6 Å²	82.6	50%	0.503	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.6	174.3	49	0	0	0	0	111	L263 F272 Y279	L263-T265 PolarHBondContact O-N 2.88Å; L263-T265 VanDerWaalsContact O-N 3.16Å; T265-F272 HydrophobicContact CG2-CB 4.11Å; T265-Y279 VanDerWaalsContact O-CE2 3.28Å; T265-Y279 WeakPolarHBondContact O-CE2 3.4Å; T265-Y279 PolarHBondContact O-OH 2.89Å
266	C	87.3	Confident	76.3	Confident	15 Å²	15	88.1 Å²	88.1	10%	0.101	45%	0.452	C	S	.	.			trans	-75.6	143.3	167.8	-169.4	0	0	0	0	110.7	Q268 C269 Y271 Y279 H282 H286	C266-Q268 PolarHBondContact SG-N 3.33Å; C266-C269 WeakPolarHBondContact CB-O 3.35Å; C266-C269 VanDerWaalsContact O-O 3.12Å; C266-Y271 PolarHBondContact N-O 2.96Å; C266-Y279 HydrophobicContact CB-CE2 4.29Å; C266-H282 WeakPolarHBondContact CB-NE2 3.23Å; C266-H286 PolarHBondContact SG-NE2 2.92Å; C266-H286 VanDerWaalsContact SG-NE2 3.35Å
267	S	81.9	Confident	76.9	Confident	113 Å²	113	86.6 Å²	86.6	79%	0.79	46%	0.458	S	S	*	.	S	Bend	trans	-79.6	-21	171.4	47.7	0	0	0	0	113.1
268	Q	81.4	Confident	77.8	Confident	132 Å²	132	83.4 Å²	83.4	62%	0.617	44%	0.44	S	S	*	.	S	Bend	trans	-101.4	-11.3	-173.8	-63.3	179.5	-7.5	0	0	113.7	C266	C266-Q268 PolarHBondContact SG-N 3.33Å
269	C	86.5	Confident	78.7	Confident	49 Å²	49	82.9 Å²	82.9	33%	0.331	44%	0.436	S	S	.	.	S	Bend	trans	-158.8	170.9	170.2	74.7	0	0	0	0	111.7	C266 Y271 H282	C266-C269 WeakPolarHBondContact CB-O 3.35Å; C266-C269 VanDerWaalsContact O-O 3.12Å; C269-Y271 PolarHBondContact O-N 3.22Å; C269-Y271 VanDerWaalsContact SG-CB 3.6Å; C269-H282 PolarHBondContact SG-CE1 3.28Å; C269-H282 PolarHBondContact SG-NE2 3.16Å
270	S	82.3	Confident	79.8	Confident	119 Å²	119	81.4 Å²	81.4	83%	0.832	43%	0.433	S	S	*	.	S	Bend	trans	-70.8	11.9	-178.5	55	0	0	0	0	115.9	F272	S270-F272 WeakPolarHBondContact O-CD1 3.23Å
271	Y	81.4	Confident	81	Confident	90 Å²	90	81.5 Å²	81.5	35%	0.353	43%	0.427	S	S	.	.			trans	-73.5	140.3	176.4	-176.8	-92.3	0	0	0	112	C266 C269 H282	C266-Y271 PolarHBondContact N-O 2.96Å; C269-Y271 PolarHBondContact O-N 3.22Å; C269-Y271 VanDerWaalsContact SG-CB 3.6Å; Y271-H282 WeakPolarHBondContact CB-NE2 3.45Å; Y271-H282 HydrophobicContact CD1-CB 3.83Å; Y271-H282 AromaticContact CD1-CD2 3.26Å; Y271-H282 WeakPolarHBondContact CD1-CD2 3.49Å; Y271-H282 AromaticContact CD1-CG 3.34Å; Y271-H282 AromaticContact CD1-ND1 3.92Å; Y271-H282 AromaticContact CD1-NE2 3.78Å; Y271-H282 HydrophobicContact CE1-CB 3.62Å; Y271-H282 AromaticContact CE1-CD2 3.99Å; Y271-H282 AromaticContact CE1-CG 3.69Å; Y271-H282 AromaticContact CG-CD2 3.8Å; Y271-H282 AromaticContact CG-CE1 3.9Å; Y271-H282 AromaticContact CG-CG 3.83Å; Y271-H282 AromaticContact CG-ND1 3.92Å; Y271-H282 AromaticContact CG-NE2 3.83Å
272	F	83	Confident	82.4	Confident	118 Å²	118	77.6 Å²	77.6	52%	0.518	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.9	175.7	52.6	-105.1	0	0	0	111.5	L263 H264 T265 S270	L263-F272 HydrophobicContact CB-CB 4.14Å; L263-F272 HydrophobicContact CD1-CB 4.32Å; L263-F272 HydrophobicContact CD1-CD2 3.4Å; L263-F272 HydrophobicContact CD1-CE2 3.92Å; L263-F272 HydrophobicContact CD1-CG 4.06Å; H264-F272 CarbonylContact O-C 3.52Å; H264-F272 WeakPolarHBondContact O-CA 3.49Å; T265-F272 HydrophobicContact CG2-CB 4.11Å; S270-F272 WeakPolarHBondContact O-CD1 3.23Å
273	S	82.4	Confident	83.6	Confident	7 Å²	7	72.2 Å²	72.2	5%	0.049	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.9	-178.5	-159.6	0	0	0	0	115.4	L263 H264 R275 N278	L263-S273 CarbonylContact C-O 3.59Å; L263-S273 WeakPolarHBondContact CA-O 3.48Å; L263-S273 WeakPolarHBondContact CB-O 3.41Å; H264-S273 PolarHBondContact N-O 3.34Å; H264-S273 PolarHBondContact O-N 3.07Å; S273-R275 PolarHBondContact O-N 3.09Å; S273-N278 VanDerWaalsContact OG-CB 3.23Å; S273-N278 WeakPolarHBondContact OG-CB 3.25Å
274	D	79.1	Confident	84.3	Confident	47 Å²	47	74.6 Å²	74.6	25%	0.251	38%	0.384	S	S	.	.	S	Bend	trans	-70.9	-15.9	174.7	69.4	-42.7	0	0	0	113.1	R256 L263	R256-D274 PolarHBondContact NH1-O 2.88Å; L263-D274 HydrophobicContact CD2-CB 4Å
275	R	82.6	Confident	84.7	Confident	126 Å²	126	75.6 Å²	75.6	48%	0.475	40%	0.395	S	S	.	.	S	Bend	trans	-132.3	134.2	-171.2	-62.5	168.9	-153.8	-161	6.2	113	S273 S277 N278 Y279	S273-R275 PolarHBondContact O-N 3.09Å; R275-S277 PolarHBondContact O-N 3.46Å; R275-N278 HydrophobicContact CB-CB 4.42Å; R275-N278 PolarHBondContact O-N 2.8Å; R275-Y279 PolarHBondContact O-N 3.31Å
276	K	84.1	Confident	84.9	Confident	140 Å²	140	74.9 Å²	74.9	61%	0.609	39%	0.385	S	S	*	.	H	α-helix	trans	-56.2	-33.1	172.7	-164.1	177.2	-179.4	179.8	0	112.8	H264 Y279 I280	H264-K276 PolarHBondContact CD2-N 3.19Å; H264-K276 PolarHBondContact NE2-N 2.75Å; K276-Y279 PolarHBondContact O-N 3.32Å; K276-I280 HydrophobicContact CD-CD1 4.49Å; K276-I280 HydrophobicContact CG-CD1 3.9Å; K276-I280 HydrophobicContact CG-CG1 4.42Å; K276-I280 WeakPolarHBondContact O-CB 3.4Å; K276-I280 VanDerWaalsContact O-CG1 3.27Å; K276-I280 WeakPolarHBondContact O-CG1 3.48Å; K276-I280 PolarHBondContact O-N 3.19Å
277	S	85.9	Confident	84.9	Confident	72 Å²	72	77.8 Å²	77.8	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-48.4	176.7	55.4	0	0	0	0	112.9	R275 I280 Q281	R275-S277 PolarHBondContact O-N 3.46Å; S277-I280 PolarHBondContact O-N 3.47Å; S277-Q281 VanDerWaalsContact O-CB 3.31Å; S277-Q281 WeakPolarHBondContact O-CB 3.29Å; S277-Q281 PolarHBondContact O-N 2.96Å
278	N	86.3	Confident	85.2	Confident	51 Å²	51	74.7 Å²	74.7	27%	0.273	39%	0.389	S	S	.	.	H	α-helix	trans	-74.5	-34.5	-176.5	-63.3	19.3	0	0	0	109.9	S273 R275 Q281 H282	S273-N278 VanDerWaalsContact OG-CB 3.23Å; S273-N278 WeakPolarHBondContact OG-CB 3.25Å; R275-N278 HydrophobicContact CB-CB 4.42Å; R275-N278 PolarHBondContact O-N 2.8Å; N278-Q281 PolarHBondContact O-N 3.39Å; N278-H282 WeakPolarHBondContact O-CB 3.37Å; N278-H282 PolarHBondContact O-N 3.15Å
279	Y	87.9	Confident	85.5	Confident	48 Å²	48	72 Å²	72	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-61.8	-49.1	171	179.8	-118.5	0	0	0	113	H264 T265 C266 R275 K276 Q281 H282 I283	H264-Y279 HydrophobicContact CB-CD1 3.72Å; H264-Y279 HydrophobicContact CB-CD2 3.68Å; H264-Y279 HydrophobicContact CB-CE1 4.3Å; H264-Y279 HydrophobicContact CB-CE2 4.29Å; H264-Y279 HydrophobicContact CB-CG 3.37Å; H264-Y279 WeakPolarHBondContact O-CD2 3.28Å; T265-Y279 VanDerWaalsContact O-CE2 3.28Å; T265-Y279 WeakPolarHBondContact O-CE2 3.4Å; T265-Y279 PolarHBondContact O-OH 2.89Å; C266-Y279 HydrophobicContact CB-CE2 4.29Å; R275-Y279 PolarHBondContact O-N 3.31Å; K276-Y279 PolarHBondContact O-N 3.32Å; Y279-Q281 VanDerWaalsContact C-N 3.32Å; Y279-Q281 PolarHBondContact O-N 3.42Å; Y279-H282 CarbonylContact O-C 3.59Å; Y279-H282 WeakPolarHBondContact O-CB 3.42Å; Y279-H282 PolarHBondContact O-N 3.48Å; Y279-H282 VanDerWaalsContact O-N 3.12Å; Y279-I283 HydrophobicContact CD1-CD1 3.83Å; Y279-I283 HydrophobicContact CE1-CD1 3.39Å; Y279-I283 HydrophobicContact CE1-CG1 4.35Å; Y279-I283 HydrophobicContact CE2-CD1 4.12Å; Y279-I283 HydrophobicContact CE2-CG1 4.21Å; Y279-I283 HydrophobicContact CG-CD1 4.37Å; Y279-I283 WeakPolarHBondContact O-CG1 3.4Å; Y279-I283 PolarHBondContact O-N 3.48Å
280	I	86.7	Confident	85.7	Confident	71 Å²	71	75.8 Å²	75.8	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-40.6	175.5	-69.6	166.2	0	0	0	110.9	K276 S277 H282 I283 R284	K276-I280 HydrophobicContact CD-CD1 4.49Å; K276-I280 HydrophobicContact CG-CD1 3.9Å; K276-I280 HydrophobicContact CG-CG1 4.42Å; K276-I280 WeakPolarHBondContact O-CB 3.4Å; K276-I280 VanDerWaalsContact O-CG1 3.27Å; K276-I280 WeakPolarHBondContact O-CG1 3.48Å; K276-I280 PolarHBondContact O-N 3.19Å; S277-I280 PolarHBondContact O-N 3.47Å; I280-H282 VanDerWaalsContact C-N 3.26Å; I280-H282 PolarHBondContact O-N 2.89Å; I280-I283 PolarHBondContact O-N 2.83Å; I280-R284 WeakPolarHBondContact O-CG 3.43Å; I280-R284 PolarHBondContact O-N 3.16Å
281	Q	87.5	Confident	86	Confident	67 Å²	67	73.3 Å²	73.3	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-33.7	174.3	177.2	175.4	85.2	0	0	112.6	S277 N278 Y279 Q303	S277-Q281 VanDerWaalsContact O-CB 3.31Å; S277-Q281 WeakPolarHBondContact O-CB 3.29Å; S277-Q281 PolarHBondContact O-N 2.96Å; N278-Q281 PolarHBondContact O-N 3.39Å; Y279-Q281 VanDerWaalsContact C-N 3.32Å; Y279-Q281 PolarHBondContact O-N 3.42Å; Q281-Q303 VanDerWaalsContact CD-CD 3.48Å; Q281-Q303 HydrophobicContact CG-CG 4.14Å; Q281-Q303 VanDerWaalsContact NE2-OE1 3.13Å
282	H	87.7	Confident	86.5	Confident	24 Å²	24	71.8 Å²	71.8	11%	0.111	37%	0.366	C	S	.	.	H	α-helix	trans	-75.5	-40.2	173.7	169.8	62.3	0	0	0	112.7	C266 C269 Y271 N278 Y279 I280 R284 T285 H286	C266-H282 WeakPolarHBondContact CB-NE2 3.23Å; C269-H282 PolarHBondContact SG-CE1 3.28Å; C269-H282 PolarHBondContact SG-NE2 3.16Å; Y271-H282 WeakPolarHBondContact CB-NE2 3.45Å; Y271-H282 HydrophobicContact CD1-CB 3.83Å; Y271-H282 AromaticContact CD1-CD2 3.26Å; Y271-H282 WeakPolarHBondContact CD1-CD2 3.49Å; Y271-H282 AromaticContact CD1-CG 3.34Å; Y271-H282 AromaticContact CD1-ND1 3.92Å; Y271-H282 AromaticContact CD1-NE2 3.78Å; Y271-H282 HydrophobicContact CE1-CB 3.62Å; Y271-H282 AromaticContact CE1-CD2 3.99Å; Y271-H282 AromaticContact CE1-CG 3.69Å; Y271-H282 AromaticContact CG-CD2 3.8Å; Y271-H282 AromaticContact CG-CE1 3.9Å; Y271-H282 AromaticContact CG-CG 3.83Å; Y271-H282 AromaticContact CG-ND1 3.92Å; Y271-H282 AromaticContact CG-NE2 3.83Å; N278-H282 WeakPolarHBondContact O-CB 3.37Å; N278-H282 PolarHBondContact O-N 3.15Å; Y279-H282 CarbonylContact O-C 3.59Å; Y279-H282 WeakPolarHBondContact O-CB 3.42Å; Y279-H282 PolarHBondContact O-N 3.48Å; Y279-H282 VanDerWaalsContact O-N 3.12Å; I280-H282 VanDerWaalsContact C-N 3.26Å; I280-H282 PolarHBondContact O-N 2.89Å; H282-R284 PolarHBondContact O-N 3.47Å; H282-R284 VanDerWaalsContact O-N 3.15Å; H282-T285 PolarHBondContact O-N 2.86Å; H282-T285 PolarHBondContact O-OG1 2.94Å; H282-H286 AromaticContact CD2-NE2 3.99Å; H282-H286 AromaticContact CE1-CE1 3.81Å; H282-H286 AromaticContact CE1-NE2 3.16Å; H282-H286 PolarHBondContact CE1-NE2 3.07Å; H282-H286 AromaticContact NE2-CD2 3.75Å; H282-H286 AromaticContact NE2-CE1 3.97Å; H282-H286 AromaticContact NE2-NE2 2.98Å; H282-H286 PolarHBondContact NE2-NE2 3.09Å
283	I	88.8	Confident	86.9	Confident	53 Å²	53	72 Å²	72	27%	0.272	37%	0.368	S	S	.	.	H	α-helix	trans	-54.5	-37.1	174.3	-69.4	160.9	0	0	0	111	Y279 I280 T285 H286 T287	Y279-I283 HydrophobicContact CD1-CD1 3.83Å; Y279-I283 HydrophobicContact CE1-CD1 3.39Å; Y279-I283 HydrophobicContact CE1-CG1 4.35Å; Y279-I283 HydrophobicContact CE2-CD1 4.12Å; Y279-I283 HydrophobicContact CE2-CG1 4.21Å; Y279-I283 HydrophobicContact CG-CD1 4.37Å; Y279-I283 WeakPolarHBondContact O-CG1 3.4Å; Y279-I283 PolarHBondContact O-N 3.48Å; I280-I283 PolarHBondContact O-N 2.83Å; I283-T285 PolarHBondContact O-N 3.35Å; I283-T285 VanDerWaalsContact O-N 3.15Å; I283-H286 PolarHBondContact O-N 3.31Å; I283-T287 HydrophobicContact CG2-CG2 3.86Å; I283-T287 PolarHBondContact O-N 2.85Å; I283-T287 PolarHBondContact O-OG1 3.41Å
284	R	88.7	Confident	87.5	Confident	71 Å²	71	72 Å²	72	27%	0.268	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-14.9	175	-67.8	175.6	-172.3	172.9	-0.3	115.1	I280 H282 G288 S302	I280-R284 WeakPolarHBondContact O-CG 3.43Å; I280-R284 PolarHBondContact O-N 3.16Å; H282-R284 PolarHBondContact O-N 3.47Å; H282-R284 VanDerWaalsContact O-N 3.15Å; R284-G288 PolarHBondContact O-N 2.67Å; R284-S302 PolarHBondContact NH1-O 2.91Å
285	T	86.3	Confident	88.1	Confident	92 Å²	92	77.2 Å²	77.2	56%	0.564	40%	0.395	S	S	*	.	H	α-helix	trans	-80.1	-23.3	171.4	68	0	0	0	0	112.3	H282 I283	H282-T285 PolarHBondContact O-N 2.86Å; H282-T285 PolarHBondContact O-OG1 2.94Å; I283-T285 PolarHBondContact O-N 3.35Å; I283-T285 VanDerWaalsContact O-N 3.15Å
286	H	86.1	Confident	88.4	Confident	67 Å²	67	78.8 Å²	78.8	31%	0.31	40%	0.402	S	S	.	.	H	α-helix	trans	-90.8	-41.7	174.6	-55.2	-62	0	0	0	112.3	C266 H282 I283 G288	C266-H286 PolarHBondContact SG-NE2 2.92Å; C266-H286 VanDerWaalsContact SG-NE2 3.35Å; H282-H286 AromaticContact CD2-NE2 3.99Å; H282-H286 AromaticContact CE1-CE1 3.81Å; H282-H286 AromaticContact CE1-NE2 3.16Å; H282-H286 PolarHBondContact CE1-NE2 3.07Å; H282-H286 AromaticContact NE2-CD2 3.75Å; H282-H286 AromaticContact NE2-CE1 3.97Å; H282-H286 AromaticContact NE2-NE2 2.98Å; H282-H286 PolarHBondContact NE2-NE2 3.09Å; I283-H286 PolarHBondContact O-N 3.31Å; H286-G288 PolarHBondContact O-N 3.46Å
287	T	86.5	Confident	88.8	Confident	76 Å²	76	74.3 Å²	74.3	47%	0.466	39%	0.388	S	S	.	.	S	Bend	trans	-79.5	-0.8	-179	64.1	0	0	0	0	113.9	I283 V289	I283-T287 HydrophobicContact CG2-CG2 3.86Å; I283-T287 PolarHBondContact O-N 2.85Å; I283-T287 PolarHBondContact O-OG1 3.41Å; T287-V289 WeakPolarHBondContact O-CG2 3.36Å; T287-V289 PolarHBondContact O-N 2.87Å; T287-V289 WeakPolarHBondContact OG1-CG2 3.39Å
288	G	87.2	Confident	89.1	Confident	49 Å²	49	77.8 Å²	77.8	51%	0.505	40%	0.401	S	S	.	.			trans	64.8	-5	-175.9	0	0	0	0	0	115.7	R284 H286 R290	R284-G288 PolarHBondContact O-N 2.67Å; H286-G288 PolarHBondContact O-N 3.46Å; G288-R290 WeakPolarHBondContact O-CG 3.49Å; G288-R290 PolarHBondContact O-N 3.06Å; G288-R290 VanDerWaalsContact O-N 3.11Å
289	V	89.6	Confident	89.4	Confident	76 Å²	76	79 Å²	79	46%	0.461	40%	0.402	S	S	.	.			trans	-66	112.1	-169.6	178.2	0	0	0	0	111.5	T287 P291	T287-V289 WeakPolarHBondContact O-CG2 3.36Å; T287-V289 PolarHBondContact O-N 2.87Å; T287-V289 WeakPolarHBondContact OG1-CG2 3.39Å; V289-P291 VanDerWaalsContact O-CD 3.25Å; V289-P291 WeakPolarHBondContact O-CD 3.38Å
290	R	89.6	Confident	89.6	Confident	127 Å²	127	78.1 Å²	78.1	48%	0.479	40%	0.403	S	S	.	.			trans	-114.3	73.2	-177.2	-71.8	159.2	79.2	143.9	2.5	110.7	G288 F292 S300 S301	G288-R290 WeakPolarHBondContact O-CG 3.49Å; G288-R290 PolarHBondContact O-N 3.06Å; G288-R290 VanDerWaalsContact O-N 3.11Å; R290-F292 PolarHBondContact O-N 3.12Å; R290-S300 WeakPolarHBondContact CB-OG 3.26Å; R290-S300 VanDerWaalsContact CZ-O 3.27Å; R290-S300 PolarHBondContact NE-O 3.12Å; R290-S300 PolarHBondContact NE-OG 3.08Å; R290-S300 PolarHBondContact NH2-O 3.34Å; R290-S301 CarbonylContact C-O 3.6Å; R290-S301 VanDerWaalsContact CA-O 3.29Å; R290-S301 WeakPolarHBondContact CA-O 3.32Å
291	P	88.3	Confident	89.8	Confident	68 Å²	68	74.9 Å²	74.9	44%	0.442	39%	0.387	S	S	.	.			trans	-78.8	11.4	-167.4	36.4	-37.6	0	0	0	114	V289 S301	V289-P291 VanDerWaalsContact O-CD 3.25Å; V289-P291 WeakPolarHBondContact O-CD 3.38Å; P291-S301 WeakPolarHBondContact CD-O 3.46Å
292	F	92.1	Very high	89.9	Confident	58 Å²	58	72.7 Å²	72.7	25%	0.254	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	86.8	178.2	-56.6	-70.8	0	0	0	109.2	R290 S300 S301 K304 L307	R290-F292 PolarHBondContact O-N 3.12Å; F292-S300 CarbonylContact O-C 3.53Å; F292-S300 WeakPolarHBondContact O-CA 3.39Å; F292-S301 PolarHBondContact N-O 3.17Å; F292-S301 VanDerWaalsContact N-O 3.16Å; F292-S301 PolarHBondContact O-N 3.23Å; F292-S301 PolarHBondContact O-OG 3.39Å; F292-K304 HydrophobicContact CD1-CB 4.01Å; F292-K304 HydrophobicContact CD1-CG 4.43Å; F292-K304 HydrophobicContact CD2-CB 4.45Å; F292-K304 VanDerWaalsContact CD2-N 3.26Å; F292-K304 HydrophobicContact CE1-CB 3.81Å; F292-K304 HydrophobicContact CE1-CG 4.41Å; F292-K304 HydrophobicContact CE2-CB 4.26Å; F292-K304 VanDerWaalsContact CE2-N 3.31Å; F292-K304 HydrophobicContact CG-CB 4.32Å; F292-K304 HydrophobicContact CZ-CB 3.94Å; F292-L307 HydrophobicContact CB-CB 3.96Å; F292-L307 HydrophobicContact CB-CD2 3.82Å; F292-L307 HydrophobicContact CB-CG 4.48Å
293	Q	92.6	Very high	90	Very high	123 Å²	123	73.7 Å²	73.7	58%	0.575	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	148.2	177.8	-163.8	173.5	-6.8	0	0	111.8	L307	Q293-L307 VanDerWaalsContact O-CD2 3.3Å; Q293-L307 WeakPolarHBondContact O-CD2 3.19Å
294	C	94.4	Very high	90.1	Very high	7 Å²	7	77.9 Å²	77.9	5%	0.047	40%	0.399	C	S	.	.			trans	-76.1	150.2	168.5	-172.4	0	0	0	0	111.1	Y296 C297 Y299 L307 H310 M311 H314	C294-Y296 PolarHBondContact SG-N 3.02Å; C294-C297 WeakPolarHBondContact CB-O 3.5Å; C294-Y299 WeakPolarHBondContact CB-O 3.45Å; C294-Y299 PolarHBondContact N-O 3.39Å; C294-L307 HydrophobicContact CB-CD1 4Å; C294-H310 PolarHBondContact SG-NE2 3Å; C294-H310 VanDerWaalsContact SG-NE2 3.4Å; C294-M311 HydrophobicContact CB-SD 4.29Å; C294-M311 PolarHBondContact SG-SD 3.12Å; C294-H314 VanDerWaalsContact SG-CD2 3.59Å; C294-H314 PolarHBondContact SG-NE2 3.37Å
295	L	90.5	Very high	90.1	Very high	155 Å²	155	78.9 Å²	78.9	81%	0.812	41%	0.413	S	S	*	.	S	Bend	trans	-88.7	-6.9	175.9	-57.2	178.9	0	0	0	112.9
296	Y	89.9	Confident	90.3	Very high	160 Å²	160	77.1 Å²	77.1	63%	0.627	40%	0.399	S	S	*	.	S	Bend	trans	-121.5	-6.6	-172.3	-54.6	-50.1	0	0	0	113.8	C294 M311 H314	C294-Y296 PolarHBondContact SG-N 3.02Å; Y296-M311 HydrophobicContact CD2-CE 3.48Å; Y296-M311 VanDerWaalsContact CD2-CE 3.48Å; Y296-M311 HydrophobicContact CE2-CE 3.49Å; Y296-M311 VanDerWaalsContact CE2-CE 3.49Å; Y296-H314 VanDerWaalsContact C-CE1 3.46Å; Y296-H314 HydrophobicContact CD2-CB 3.69Å; Y296-H314 AromaticContact CD2-CG 3.8Å; Y296-H314 HydrophobicContact CE2-CB 4.36Å; Y296-H314 HydrophobicContact CG-CB 4.46Å; Y296-H314 PolarHBondContact O-CE1 3.4Å
297	C	92.8	Very high	90.5	Very high	45 Å²	45	75.1 Å²	75.1	30%	0.304	39%	0.39	S	S	.	.	S	Bend	trans	-164.7	174.3	168.3	68	0	0	0	0	110.9	C294 Y299 H310 H314	C294-C297 WeakPolarHBondContact CB-O 3.5Å; C297-Y299 PolarHBondContact O-N 3.19Å; C297-H310 PolarHBondContact SG-NE2 3.45Å; C297-H310 VanDerWaalsContact SG-NE2 3.4Å; C297-H314 WeakPolarHBondContact CB-CE1 3.48Å; C297-H314 PolarHBondContact SG-CE1 2.93Å; C297-H314 PolarHBondContact SG-NE2 3.13Å
298	D	92	Very high	90.7	Very high	146 Å²	146	74.8 Å²	74.8	78%	0.781	39%	0.388	S	S	*	.	S	Bend	trans	-70.8	5.4	-176.6	-49.6	-64.7	0	0	0	115	S300	D298-S300 PolarHBondContact O-N 3.21Å
299	Y	92.2	Very high	90.7	Very high	77 Å²	77	77 Å²	77	30%	0.302	38%	0.381	S	S	.	.			trans	-66.5	106.8	178	-176.2	-91.9	0	0	0	111.6	C294 C297 H310	C294-Y299 WeakPolarHBondContact CB-O 3.45Å; C294-Y299 PolarHBondContact N-O 3.39Å; C297-Y299 PolarHBondContact O-N 3.19Å; Y299-H310 HydrophobicContact CD1-CB 3.84Å; Y299-H310 AromaticContact CD1-CD2 3.41Å; Y299-H310 VanDerWaalsContact CD1-CD2 3.41Å; Y299-H310 WeakPolarHBondContact CD1-CD2 3.41Å; Y299-H310 AromaticContact CD1-CG 3.37Å; Y299-H310 AromaticContact CD1-ND1 3.79Å; Y299-H310 AromaticContact CD1-NE2 3.85Å; Y299-H310 HydrophobicContact CE1-CB 3.71Å; Y299-H310 AromaticContact CE1-CG 3.76Å; Y299-H310 AromaticContact CG-CD2 3.94Å; Y299-H310 AromaticContact CG-CE1 3.83Å; Y299-H310 AromaticContact CG-CG 3.92Å; Y299-H310 AromaticContact CG-ND1 3.86Å; Y299-H310 AromaticContact CG-NE2 3.88Å
300	S	91.9	Very high	90.8	Very high	28 Å²	28	74.7 Å²	74.7	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	157.1	168.6	67	0	0	0	0	112	R290 F292 D298	R290-S300 WeakPolarHBondContact CB-OG 3.26Å; R290-S300 VanDerWaalsContact CZ-O 3.27Å; R290-S300 PolarHBondContact NE-O 3.12Å; R290-S300 PolarHBondContact NE-OG 3.08Å; R290-S300 PolarHBondContact NH2-O 3.34Å; F292-S300 CarbonylContact O-C 3.53Å; F292-S300 WeakPolarHBondContact O-CA 3.39Å; D298-S300 PolarHBondContact O-N 3.21Å
301	S	90.4	Very high	90.8	Very high	4 Å²	4	71 Å²	71	3%	0.028	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.8	176.4	68.3	0	0	0	0	113.9	R290 P291 F292 Q303 L307	R290-S301 CarbonylContact C-O 3.6Å; R290-S301 VanDerWaalsContact CA-O 3.29Å; R290-S301 WeakPolarHBondContact CA-O 3.32Å; P291-S301 WeakPolarHBondContact CD-O 3.46Å; F292-S301 PolarHBondContact N-O 3.17Å; F292-S301 VanDerWaalsContact N-O 3.16Å; F292-S301 PolarHBondContact O-N 3.23Å; F292-S301 PolarHBondContact O-OG 3.39Å; S301-Q303 VanDerWaalsContact C-N 3.31Å; S301-Q303 PolarHBondContact OG-O 3.25Å; S301-L307 PolarHBondContact OG-N 2.92Å
302	S	90.6	Very high	90.8	Very high	21 Å²	21	70.7 Å²	70.7	15%	0.147	34%	0.344	C	S	.	.	S	Bend	trans	-79.3	-9.8	178	58.3	0	0	0	0	114.1	R284	R284-S302 PolarHBondContact NH1-O 2.91Å
303	Q	89.9	Confident	90.5	Very high	44 Å²	44	72.6 Å²	72.6	21%	0.206	36%	0.361	C	S	.	.	S	Bend	trans	-136.5	129.4	-174.7	-40.1	-169.9	16.6	0	0	112.4	Q281 S301 T305 H306 L307	Q281-Q303 VanDerWaalsContact CD-CD 3.48Å; Q281-Q303 HydrophobicContact CG-CG 4.14Å; Q281-Q303 VanDerWaalsContact NE2-OE1 3.13Å; S301-Q303 VanDerWaalsContact C-N 3.31Å; S301-Q303 PolarHBondContact OG-O 3.25Å; Q303-T305 WeakPolarHBondContact CB-OG1 3.1Å; Q303-T305 PolarHBondContact O-N 2.94Å; Q303-T305 VanDerWaalsContact O-N 3.15Å; Q303-T305 PolarHBondContact OE1-OG1 3.12Å; Q303-H306 HydrophobicContact CB-CB 4.33Å; Q303-H306 WeakPolarHBondContact O-CB 3.4Å; Q303-H306 PolarHBondContact O-N 2.8Å; Q303-L307 PolarHBondContact O-N 3.34Å
304	K	89.8	Confident	90.2	Very high	141 Å²	141	70.7 Å²	70.7	61%	0.613	35%	0.352	S	S	*	.	H	α-helix	trans	-55.9	-34.2	176.7	-173	170.8	-179.2	172.5	0	112.9	F292 H306 L307 T308	F292-K304 HydrophobicContact CD1-CB 4.01Å; F292-K304 HydrophobicContact CD1-CG 4.43Å; F292-K304 HydrophobicContact CD2-CB 4.45Å; F292-K304 VanDerWaalsContact CD2-N 3.26Å; F292-K304 HydrophobicContact CE1-CB 3.81Å; F292-K304 HydrophobicContact CE1-CG 4.41Å; F292-K304 HydrophobicContact CE2-CB 4.26Å; F292-K304 VanDerWaalsContact CE2-N 3.31Å; F292-K304 HydrophobicContact CG-CB 4.32Å; F292-K304 HydrophobicContact CZ-CB 3.94Å; K304-H306 VanDerWaalsContact C-N 3.31Å; K304-H306 PolarHBondContact O-N 3.45Å; K304-L307 PolarHBondContact O-N 2.86Å; K304-T308 PolarHBondContact O-N 3.2Å; K304-T308 PolarHBondContact O-OG1 2.9Å; K304-T308 VanDerWaalsContact O-OG1 3.08Å
305	T	89.1	Confident	89.8	Confident	92 Å²	92	73.5 Å²	73.5	56%	0.564	37%	0.371	S	S	*	.	H	α-helix	trans	-61	-35.3	174.2	43.7	0	0	0	0	113.3	Q303 R309	Q303-T305 WeakPolarHBondContact CB-OG1 3.1Å; Q303-T305 PolarHBondContact O-N 2.94Å; Q303-T305 VanDerWaalsContact O-N 3.15Å; Q303-T305 PolarHBondContact OE1-OG1 3.12Å; T305-R309 WeakPolarHBondContact O-CB 3.39Å; T305-R309 PolarHBondContact O-N 3.03Å; T305-R309 VanDerWaalsContact O-N 3.1Å
306	H	90.1	Very high	89.5	Confident	55 Å²	55	68.7 Å²	68.7	26%	0.255	36%	0.359	S	S	.	.	H	α-helix	trans	-74.3	-41.8	176.4	-72	-166.4	0	0	0	110.8	Q303 K304 R309 H310	Q303-H306 HydrophobicContact CB-CB 4.33Å; Q303-H306 WeakPolarHBondContact O-CB 3.4Å; Q303-H306 PolarHBondContact O-N 2.8Å; K304-H306 VanDerWaalsContact C-N 3.31Å; K304-H306 PolarHBondContact O-N 3.45Å; H306-R309 PolarHBondContact CD2-NH2 3.14Å; H306-R309 PolarHBondContact NE2-NH2 2.9Å; H306-R309 PolarHBondContact O-N 3.01Å; H306-H310 WeakPolarHBondContact O-CB 3.05Å; H306-H310 PolarHBondContact O-N 2.83Å
307	L	91.8	Very high	89.2	Confident	26 Å²	26	66.6 Å²	66.6	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-51.5	171.1	179.6	62.3	0	0	0	111.6	F292 Q293 C294 S301 Q303 K304 R309 H310 M311	F292-L307 HydrophobicContact CB-CB 3.96Å; F292-L307 HydrophobicContact CB-CD2 3.82Å; F292-L307 HydrophobicContact CB-CG 4.48Å; Q293-L307 VanDerWaalsContact O-CD2 3.3Å; Q293-L307 WeakPolarHBondContact O-CD2 3.19Å; C294-L307 HydrophobicContact CB-CD1 4Å; S301-L307 PolarHBondContact OG-N 2.92Å; Q303-L307 PolarHBondContact O-N 3.34Å; K304-L307 PolarHBondContact O-N 2.86Å; L307-R309 VanDerWaalsContact C-N 3.25Å; L307-R309 PolarHBondContact O-N 2.8Å; L307-H310 CarbonylContact O-C 3.16Å; L307-H310 WeakPolarHBondContact O-CA 3.48Å; L307-H310 WeakPolarHBondContact O-CB 3.44Å; L307-H310 PolarHBondContact O-N 3.24Å; L307-M311 HydrophobicContact CD1-CG 4.39Å; L307-M311 HydrophobicContact CD1-SD 3.71Å; L307-M311 HydrophobicContact CG-CG 4.37Å; L307-M311 HydrophobicContact CG-SD 4.23Å; L307-M311 WeakPolarHBondContact O-CG 3.29Å; L307-M311 PolarHBondContact O-N 3.41Å
308	T	90.1	Very high	88.8	Confident	68 Å²	68	71.8 Å²	71.8	42%	0.417	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-32.4	179.7	-58.5	0	0	0	0	112.8	K304	K304-T308 PolarHBondContact O-N 3.2Å; K304-T308 PolarHBondContact O-OG1 2.9Å; K304-T308 VanDerWaalsContact O-OG1 3.08Å
309	R	88.1	Confident	88.4	Confident	96 Å²	96	68.9 Å²	68.9	36%	0.362	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-46.9	168.9	169.8	171.6	67.5	-141.7	-2.5	111.5	T305 H306 L307 R312 N331	T305-R309 WeakPolarHBondContact O-CB 3.39Å; T305-R309 PolarHBondContact O-N 3.03Å; T305-R309 VanDerWaalsContact O-N 3.1Å; H306-R309 PolarHBondContact CD2-NH2 3.14Å; H306-R309 PolarHBondContact NE2-NH2 2.9Å; H306-R309 PolarHBondContact O-N 3.01Å; L307-R309 VanDerWaalsContact C-N 3.25Å; L307-R309 PolarHBondContact O-N 2.8Å; R309-R312 WeakPolarHBondContact O-CB 3.47Å; R309-R312 PolarHBondContact O-N 3.44Å; R309-N331 WeakPolarHBondContact CD-ND2 3.42Å; R309-N331 WeakPolarHBondContact CD-OD1 3.45Å; R309-N331 WeakPolarHBondContact CG-ND2 3.5Å; R309-N331 WeakPolarHBondContact CG-OD1 3.44Å
310	H	90	Very high	88.1	Confident	27 Å²	27	68.3 Å²	68.3	13%	0.125	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-36.5	179.5	169.6	72.6	0	0	0	112.7	C294 C297 Y299 H306 L307 R312 T313 H314	C294-H310 PolarHBondContact SG-NE2 3Å; C294-H310 VanDerWaalsContact SG-NE2 3.4Å; C297-H310 PolarHBondContact SG-NE2 3.45Å; C297-H310 VanDerWaalsContact SG-NE2 3.4Å; Y299-H310 HydrophobicContact CD1-CB 3.84Å; Y299-H310 AromaticContact CD1-CD2 3.41Å; Y299-H310 VanDerWaalsContact CD1-CD2 3.41Å; Y299-H310 WeakPolarHBondContact CD1-CD2 3.41Å; Y299-H310 AromaticContact CD1-CG 3.37Å; Y299-H310 AromaticContact CD1-ND1 3.79Å; Y299-H310 AromaticContact CD1-NE2 3.85Å; Y299-H310 HydrophobicContact CE1-CB 3.71Å; Y299-H310 AromaticContact CE1-CG 3.76Å; Y299-H310 AromaticContact CG-CD2 3.94Å; Y299-H310 AromaticContact CG-CE1 3.83Å; Y299-H310 AromaticContact CG-CG 3.92Å; Y299-H310 AromaticContact CG-ND1 3.86Å; Y299-H310 AromaticContact CG-NE2 3.88Å; H306-H310 WeakPolarHBondContact O-CB 3.05Å; H306-H310 PolarHBondContact O-N 2.83Å; L307-H310 CarbonylContact O-C 3.16Å; L307-H310 WeakPolarHBondContact O-CA 3.48Å; L307-H310 WeakPolarHBondContact O-CB 3.44Å; L307-H310 PolarHBondContact O-N 3.24Å; H310-R312 PolarHBondContact O-N 3.01Å; H310-T313 PolarHBondContact O-N 3.04Å; H310-T313 PolarHBondContact O-OG1 3.48Å; H310-H314 AromaticContact CD2-NE2 3.38Å; H310-H314 PolarHBondContact CD2-NE2 3.01Å; H310-H314 AromaticContact CE1-CD2 3.93Å; H310-H314 AromaticContact CE1-NE2 2.75Å; H310-H314 PolarHBondContact CE1-NE2 3.06Å; H310-H314 AromaticContact ND1-NE2 3.94Å; H310-H314 AromaticContact NE2-CD2 3.5Å; H310-H314 PolarHBondContact NE2-CD2 2.84Å; H310-H314 AromaticContact NE2-NE2 2.22Å; H310-H314 PolarHBondContact NE2-NE2 3.33Å
311	M	89.5	Confident	88	Confident	50 Å²	50	74.2 Å²	74.2	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-56.2	-25.7	176	-59.7	-47	-66.3	0	0	113.2	C294 Y296 L307 T313 H314 S315	C294-M311 HydrophobicContact CB-SD 4.29Å; C294-M311 PolarHBondContact SG-SD 3.12Å; Y296-M311 HydrophobicContact CD2-CE 3.48Å; Y296-M311 VanDerWaalsContact CD2-CE 3.48Å; Y296-M311 HydrophobicContact CE2-CE 3.49Å; Y296-M311 VanDerWaalsContact CE2-CE 3.49Å; L307-M311 HydrophobicContact CD1-CG 4.39Å; L307-M311 HydrophobicContact CD1-SD 3.71Å; L307-M311 HydrophobicContact CG-CG 4.37Å; L307-M311 HydrophobicContact CG-SD 4.23Å; L307-M311 WeakPolarHBondContact O-CG 3.29Å; L307-M311 PolarHBondContact O-N 3.41Å; M311-T313 VanDerWaalsContact C-N 3.29Å; M311-T313 PolarHBondContact O-N 3.49Å; M311-H314 PolarHBondContact O-N 2.84Å; M311-S315 PolarHBondContact O-N 3.2Å; M311-S315 VanDerWaalsContact O-N 3.1Å; M311-S315 PolarHBondContact O-OG 3.36Å
312	R	88.6	Confident	88	Confident	61 Å²	61	74.3 Å²	74.3	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-70.3	-18.7	175.3	-63	-173.7	-173.8	125.9	11.9	114.5	R309 H310 H314 G316 E317 A330 N331	R309-R312 WeakPolarHBondContact O-CB 3.47Å; R309-R312 PolarHBondContact O-N 3.44Å; H310-R312 PolarHBondContact O-N 3.01Å; R312-H314 VanDerWaalsContact C-N 3.3Å; R312-G316 WeakPolarHBondContact O-CA 3.48Å; R312-G316 PolarHBondContact O-N 2.98Å; R312-G316 VanDerWaalsContact O-N 3.11Å; R312-E317 HydrophobicContact CG-CB 4.4Å; R312-E317 PolarHBondContact O-N 3.21Å; R312-A330 HydrophobicContact CB-CB 4.08Å; R312-A330 WeakPolarHBondContact CD-O 3.48Å; R312-A330 PolarHBondContact NH1-O 3.48Å; R312-N331 PolarHBondContact NH1-OD1 3.28Å
313	T	86.5	Confident	87.7	Confident	98 Å²	98	82.6 Å²	82.6	60%	0.601	42%	0.416	S	S	*	.	H	α-helix	trans	-73.8	-28.3	171.9	66.3	0	0	0	0	111.1	H310 M311	H310-T313 PolarHBondContact O-N 3.04Å; H310-T313 PolarHBondContact O-OG1 3.48Å; M311-T313 VanDerWaalsContact C-N 3.29Å; M311-T313 PolarHBondContact O-N 3.49Å
314	H	86.9	Confident	87.4	Confident	83 Å²	83	84.4 Å²	84.4	38%	0.384	43%	0.434	S	S	.	.	H	α-helix	trans	-82.5	-38.9	175.8	-66.2	-75.7	0	0	0	113	C294 Y296 C297 H310 M311 R312 G316	C294-H314 VanDerWaalsContact SG-CD2 3.59Å; C294-H314 PolarHBondContact SG-NE2 3.37Å; Y296-H314 VanDerWaalsContact C-CE1 3.46Å; Y296-H314 HydrophobicContact CD2-CB 3.69Å; Y296-H314 AromaticContact CD2-CG 3.8Å; Y296-H314 HydrophobicContact CE2-CB 4.36Å; Y296-H314 HydrophobicContact CG-CB 4.46Å; Y296-H314 PolarHBondContact O-CE1 3.4Å; C297-H314 WeakPolarHBondContact CB-CE1 3.48Å; C297-H314 PolarHBondContact SG-CE1 2.93Å; C297-H314 PolarHBondContact SG-NE2 3.13Å; H310-H314 AromaticContact CD2-NE2 3.38Å; H310-H314 PolarHBondContact CD2-NE2 3.01Å; H310-H314 AromaticContact CE1-CD2 3.93Å; H310-H314 AromaticContact CE1-NE2 2.75Å; H310-H314 PolarHBondContact CE1-NE2 3.06Å; H310-H314 AromaticContact ND1-NE2 3.94Å; H310-H314 AromaticContact NE2-CD2 3.5Å; H310-H314 PolarHBondContact NE2-CD2 2.84Å; H310-H314 AromaticContact NE2-NE2 2.22Å; H310-H314 PolarHBondContact NE2-NE2 3.33Å; M311-H314 PolarHBondContact O-N 2.84Å; R312-H314 VanDerWaalsContact C-N 3.3Å; H314-G316 VanDerWaalsContact C-N 3.31Å
315	S	84.6	Confident	87.4	Confident	66 Å²	66	79.9 Å²	79.9	46%	0.462	42%	0.419	S	S	.	.	H	α-helix	trans	-81.2	-7.7	175.8	63.6	0	0	0	0	114.3	M311 E317	M311-S315 PolarHBondContact O-N 3.2Å; M311-S315 VanDerWaalsContact O-N 3.1Å; M311-S315 PolarHBondContact O-OG 3.36Å; S315-E317 PolarHBondContact O-N 3.39Å; S315-E317 VanDerWaalsContact O-N 3.08Å; S315-E317 WeakPolarHBondContact OG-CB 3.3Å; S315-E317 WeakPolarHBondContact OG-CG 3.3Å
316	G	84	Confident	87.3	Confident	54 Å²	54	81 Å²	81	56%	0.557	43%	0.431	S	S	*	.			trans	66.3	1.9	-173.2	0	0	0	0	0	114.6	R312 H314 R318	R312-G316 WeakPolarHBondContact O-CA 3.48Å; R312-G316 PolarHBondContact O-N 2.98Å; R312-G316 VanDerWaalsContact O-N 3.11Å; H314-G316 VanDerWaalsContact C-N 3.31Å; G316-R318 PolarHBondContact O-N 3.06Å
317	E	84	Confident	87.2	Confident	116 Å²	116	82.4 Å²	82.4	54%	0.542	44%	0.435	S	S	.	.			trans	-64.4	108	-174.1	-76.8	177.2	-170.8	0	0	112	R312 S315 P319	R312-E317 HydrophobicContact CG-CB 4.4Å; R312-E317 PolarHBondContact O-N 3.21Å; S315-E317 PolarHBondContact O-N 3.39Å; S315-E317 VanDerWaalsContact O-N 3.08Å; S315-E317 WeakPolarHBondContact OG-CB 3.3Å; S315-E317 WeakPolarHBondContact OG-CG 3.3Å; E317-P319 WeakPolarHBondContact O-CD 3.34Å
318	R	84	Confident	87.1	Confident	154 Å²	154	85 Å²	85	58%	0.581	45%	0.448	S	S	*	.			trans	-110.6	69.7	172.2	-68.4	175.7	158.3	179	-3	111	G316 F320 L328 A329	G316-R318 PolarHBondContact O-N 3.06Å; R318-F320 PolarHBondContact O-N 3.47Å; R318-L328 HydrophobicContact CB-CB 3.65Å; R318-L328 WeakPolarHBondContact CD-O 3.31Å; R318-L328 HydrophobicContact CG-CB 4.5Å; R318-A329 CarbonylContact C-O 3.46Å; R318-A329 VanDerWaalsContact CA-O 3.28Å; R318-A329 WeakPolarHBondContact CA-O 3.37Å
319	P	83.5	Confident	86.9	Confident	85 Å²	85	81.8 Å²	81.8	55%	0.552	43%	0.429	S	S	*	.			trans	-72.3	-9.2	-171.9	30.9	-37.3	0	0	0	114	E317	E317-P319 WeakPolarHBondContact O-CD 3.34Å
320	F	86.9	Confident	86.8	Confident	66 Å²	66	78 Å²	78	29%	0.289	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109	178	-55.7	-80.8	0	0	0	109.5	R318 L328 A329 A330 N331 Q332 V335	R318-F320 PolarHBondContact O-N 3.47Å; F320-L328 CarbonylContact O-C 3.54Å; F320-L328 WeakPolarHBondContact O-CA 3.44Å; F320-A329 PolarHBondContact N-O 3.44Å; F320-A329 PolarHBondContact O-N 2.92Å; F320-A330 WeakPolarHBondContact CD2-O 3.4Å; F320-A330 WeakPolarHBondContact CE2-O 3.35Å; F320-N331 VanDerWaalsContact CD2-C 3.42Å; F320-N331 VanDerWaalsContact CD2-CA 3.43Å; F320-Q332 HydrophobicContact CD1-CB 3.69Å; F320-Q332 HydrophobicContact CD1-CG 4.16Å; F320-Q332 VanDerWaalsContact CD2-N 3.34Å; F320-Q332 HydrophobicContact CE1-CB 3.71Å; F320-Q332 HydrophobicContact CE1-CG 4.34Å; F320-Q332 HydrophobicContact CG-CB 4.2Å; F320-Q332 HydrophobicContact CZ-CB 4.22Å; F320-V335 HydrophobicContact CB-CG2 3.52Å; F320-V335 VanDerWaalsContact O-CG2 3.26Å; F320-V335 WeakPolarHBondContact O-CG2 3.48Å
321	K	89.3	Confident	86.7	Confident	152 Å²	152	77.8 Å²	77.8	66%	0.661	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.5	170.4	66.6	177.5	-177.5	174.2	0	111.4	Y327 L328 V335	K321-Y327 CarbonylContact C-O 3.53Å; K321-L328 HydrophobicContact CB-CD2 3.43Å; K321-L328 VanDerWaalsContact CB-CD2 3.43Å; K321-V335 WeakPolarHBondContact O-CG1 3.46Å
322	C	90.6	Very high	86.5	Confident	6 Å²	6	81.8 Å²	81.8	4%	0.041	44%	0.436	C	S	.	.			trans	-68	151.1	160.9	-165.7	0	0	0	0	110.3	Y327 V335	C322-Y327 PolarHBondContact N-O 2.91Å; C322-V335 HydrophobicContact CB-CG1 4.1Å
323	E	84.7	Confident	86.3	Confident	194 Å²	194	85.3 Å²	85.3	91%	0.907	45%	0.454	S	S	*	.	S	Bend	trans	-85.1	-19.1	175.4	-64.8	177	166.8	0	0	111.8
324	S	83.2	Confident	86.3	Confident	83 Å²	83	82.9 Å²	82.9	58%	0.58	44%	0.436	S	S	*	.	S	Bend	trans	-112.2	-0.6	-172.8	-49.2	0	0	0	0	114.4	H343	S324-H343 WeakPolarHBondContact CB-ND1 3.3Å; S324-H343 PolarHBondContact O-CE1 2.98Å
325	C	89.2	Confident	86.4	Confident	45 Å²	45	79.7 Å²	79.7	30%	0.304	42%	0.423	S	S	.	.	S	Bend	trans	-162.8	178.5	168.6	65.9	0	0	0	0	111.6	Y327 H338 H343	C325-Y327 PolarHBondContact O-N 3.11Å; C325-Y327 WeakPolarHBondContact SG-CB 3.3Å; C325-Y327 PolarHBondContact SG-N 3.39Å; C325-Y327 VanDerWaalsContact SG-N 3.41Å; C325-H338 PolarHBondContact SG-NE2 2.94Å; C325-H343 PolarHBondContact SG-NE2 2.8Å
326	S	88.1	Confident	86.5	Confident	117 Å²	117	79.3 Å²	79.3	82%	0.818	42%	0.418	S	S	*	.	S	Bend	trans	-71	4.5	175.3	49.9	0	0	0	0	115.7	L328	S326-L328 PolarHBondContact O-N 3.48Å
327	Y	87.7	Confident	86.5	Confident	84 Å²	84	81.4 Å²	81.4	33%	0.329	41%	0.409	S	S	.	.			trans	-63.7	121.5	179.2	-179.4	-100.8	0	0	0	111.6	K321 C322 C325 A329 H338	K321-Y327 CarbonylContact C-O 3.53Å; C322-Y327 PolarHBondContact N-O 2.91Å; C325-Y327 PolarHBondContact O-N 3.11Å; C325-Y327 WeakPolarHBondContact SG-CB 3.3Å; C325-Y327 PolarHBondContact SG-N 3.39Å; C325-Y327 VanDerWaalsContact SG-N 3.41Å; Y327-A329 HydrophobicContact CE1-CB 3.8Å; Y327-H338 HydrophobicContact CD1-CB 3.75Å; Y327-H338 AromaticContact CD1-CD2 3.67Å; Y327-H338 AromaticContact CD1-CG 3.38Å; Y327-H338 AromaticContact CD1-ND1 3.7Å; Y327-H338 AromaticContact CD2-ND1 3.88Å; Y327-H338 HydrophobicContact CE1-CB 3.58Å; Y327-H338 AromaticContact CE1-CG 3.7Å; Y327-H338 AromaticContact CG-CD2 3.96Å; Y327-H338 AromaticContact CG-CG 3.77Å; Y327-H338 AromaticContact CG-ND1 3.61Å
328	L	88.9	Confident	86.7	Confident	79 Å²	79	77.5 Å²	77.5	41%	0.414	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139	176.1	-52.3	-176.9	0	0	0	110	R318 F320 K321 S326	R318-L328 HydrophobicContact CB-CB 3.65Å; R318-L328 WeakPolarHBondContact CD-O 3.31Å; R318-L328 HydrophobicContact CG-CB 4.5Å; F320-L328 CarbonylContact O-C 3.54Å; F320-L328 WeakPolarHBondContact O-CA 3.44Å; K321-L328 HydrophobicContact CB-CD2 3.43Å; K321-L328 VanDerWaalsContact CB-CD2 3.43Å; S326-L328 PolarHBondContact O-N 3.48Å
329	A	87	Confident	86.8	Confident	2 Å²	2	71.8 Å²	71.8	2%	0.017	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.2	176.3	0	0	0	0	0	113.5	R318 F320 Y327 N331 E334 V335	R318-A329 CarbonylContact C-O 3.46Å; R318-A329 VanDerWaalsContact CA-O 3.28Å; R318-A329 WeakPolarHBondContact CA-O 3.37Å; F320-A329 PolarHBondContact N-O 3.44Å; F320-A329 PolarHBondContact O-N 2.92Å; Y327-A329 HydrophobicContact CE1-CB 3.8Å; A329-N331 VanDerWaalsContact C-N 3.27Å; A329-N331 PolarHBondContact O-N 2.84Å; A329-E334 HydrophobicContact CB-CB 3.58Å; A329-V335 HydrophobicContact CB-CG2 3.79Å
330	A	86	Confident	86.7	Confident	15 Å²	15	74.2 Å²	74.2	12%	0.124	37%	0.374	C	S	.	.	S	Bend	trans	-73.9	-19	179	0	0	0	0	0	112.3	R312 F320 E334	R312-A330 HydrophobicContact CB-CB 4.08Å; R312-A330 WeakPolarHBondContact CD-O 3.48Å; R312-A330 PolarHBondContact NH1-O 3.48Å; F320-A330 WeakPolarHBondContact CD2-O 3.4Å; F320-A330 WeakPolarHBondContact CE2-O 3.35Å; A330-E334 PolarHBondContact N-OE2 3.04Å
331	N	86.7	Confident	86.4	Confident	24 Å²	24	74.7 Å²	74.7	13%	0.128	38%	0.377	C	S	.	.	S	Bend	trans	-138.7	143	-179.3	-51.4	-85.2	0	0	0	113.5	R309 R312 F320 A329 H333 E334 V335	R309-N331 WeakPolarHBondContact CD-ND2 3.42Å; R309-N331 WeakPolarHBondContact CD-OD1 3.45Å; R309-N331 WeakPolarHBondContact CG-ND2 3.5Å; R309-N331 WeakPolarHBondContact CG-OD1 3.44Å; R312-N331 PolarHBondContact NH1-OD1 3.28Å; F320-N331 VanDerWaalsContact CD2-C 3.42Å; F320-N331 VanDerWaalsContact CD2-CA 3.43Å; A329-N331 VanDerWaalsContact C-N 3.27Å; A329-N331 PolarHBondContact O-N 2.84Å; N331-H333 PolarHBondContact O-N 3.25Å; N331-H333 VanDerWaalsContact O-N 3.12Å; N331-E334 WeakPolarHBondContact CB-OE1 3.32Å; N331-E334 WeakPolarHBondContact CB-OE2 3.4Å; N331-E334 PolarHBondContact N-OE2 2.8Å; N331-E334 VanDerWaalsContact ND2-CD 3.3Å; N331-E334 PolarHBondContact ND2-OE1 3.31Å; N331-E334 PolarHBondContact ND2-OE2 3.39Å; N331-E334 VanDerWaalsContact ND2-OE2 3.09Å; N331-E334 WeakPolarHBondContact O-CB 3.41Å; N331-E334 PolarHBondContact O-N 2.73Å; N331-V335 PolarHBondContact O-N 3.45Å
332	Q	86	Confident	86	Confident	134 Å²	134	70.8 Å²	70.8	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-55	-32.1	176.4	-165.6	179.5	9.4	0	0	113.5	F320 V335 T336	F320-Q332 HydrophobicContact CD1-CB 3.69Å; F320-Q332 HydrophobicContact CD1-CG 4.16Å; F320-Q332 VanDerWaalsContact CD2-N 3.34Å; F320-Q332 HydrophobicContact CE1-CB 3.71Å; F320-Q332 HydrophobicContact CE1-CG 4.34Å; F320-Q332 HydrophobicContact CG-CB 4.2Å; F320-Q332 HydrophobicContact CZ-CB 4.22Å; Q332-V335 PolarHBondContact O-N 3.45Å; Q332-T336 WeakPolarHBondContact O-CB 3.33Å; Q332-T336 PolarHBondContact O-N 3.18Å; Q332-T336 PolarHBondContact O-OG1 2.9Å
333	H	84.9	Confident	85.4	Confident	135 Å²	135	73.6 Å²	73.6	63%	0.625	38%	0.378	S	S	*	.	H	α-helix	trans	-68.3	-35.4	177.4	-175.9	66.1	0	0	0	112.6	N331 T336 R337	N331-H333 PolarHBondContact O-N 3.25Å; N331-H333 VanDerWaalsContact O-N 3.12Å; H333-T336 PolarHBondContact O-N 3.46Å; H333-R337 WeakPolarHBondContact O-CB 3.47Å; H333-R337 PolarHBondContact O-N 3.43Å
334	E	86.3	Confident	84.7	Confident	46 Å²	46	70 Å²	70	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-45.7	173.6	-74.6	126.2	-140.5	0	0	110.8	A329 A330 N331 T336 R337 H338	A329-E334 HydrophobicContact CB-CB 3.58Å; A330-E334 PolarHBondContact N-OE2 3.04Å; N331-E334 WeakPolarHBondContact CB-OE1 3.32Å; N331-E334 WeakPolarHBondContact CB-OE2 3.4Å; N331-E334 PolarHBondContact N-OE2 2.8Å; N331-E334 VanDerWaalsContact ND2-CD 3.3Å; N331-E334 PolarHBondContact ND2-OE1 3.31Å; N331-E334 PolarHBondContact ND2-OE2 3.39Å; N331-E334 VanDerWaalsContact ND2-OE2 3.09Å; N331-E334 WeakPolarHBondContact O-CB 3.41Å; N331-E334 PolarHBondContact O-N 2.73Å; E334-T336 VanDerWaalsContact C-N 3.33Å; E334-T336 PolarHBondContact O-N 3.01Å; E334-R337 PolarHBondContact O-N 3.1Å; E334-H338 VanDerWaalsContact O-CB 3.32Å; E334-H338 WeakPolarHBondContact O-CB 3.32Å; E334-H338 PolarHBondContact O-N 3.12Å
335	V	88.1	Confident	83.7	Confident	17 Å²	17	67 Å²	67	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-42.2	174.3	-177.8	0	0	0	0	111.6	F320 K321 C322 A329 N331 Q332 R337 H338 A339	F320-V335 HydrophobicContact CB-CG2 3.52Å; F320-V335 VanDerWaalsContact O-CG2 3.26Å; F320-V335 WeakPolarHBondContact O-CG2 3.48Å; K321-V335 WeakPolarHBondContact O-CG1 3.46Å; C322-V335 HydrophobicContact CB-CG1 4.1Å; A329-V335 HydrophobicContact CB-CG2 3.79Å; N331-V335 PolarHBondContact O-N 3.45Å; Q332-V335 PolarHBondContact O-N 3.45Å; V335-R337 VanDerWaalsContact C-N 3.3Å; V335-R337 PolarHBondContact O-N 2.72Å; V335-H338 PolarHBondContact O-N 3.4Å; V335-A339 WeakPolarHBondContact O-CB 3.4Å; V335-A339 PolarHBondContact O-N 3.26Å
336	T	87.3	Confident	82.4	Confident	58 Å²	58	70.5 Å²	70.5	36%	0.356	37%	0.37	S	S	.	.	H	α-helix	trans	-63.3	-38.3	178.4	-55.5	0	0	0	0	111.5	Q332 H333 E334 R340	Q332-T336 WeakPolarHBondContact O-CB 3.33Å; Q332-T336 PolarHBondContact O-N 3.18Å; Q332-T336 PolarHBondContact O-OG1 2.9Å; H333-T336 PolarHBondContact O-N 3.46Å; E334-T336 VanDerWaalsContact C-N 3.33Å; E334-T336 PolarHBondContact O-N 3.01Å; T336-R340 WeakPolarHBondContact O-CD 3.36Å; T336-R340 VanDerWaalsContact O-CG 3.26Å; T336-R340 WeakPolarHBondContact O-CG 3.16Å; T336-R340 PolarHBondContact O-N 3.46Å
337	R	84.6	Confident	81.3	Confident	98 Å²	98	69.2 Å²	69.2	37%	0.37	35%	0.35	S	S	.	.	H	α-helix	trans	-70.3	-48.2	175.7	-177.5	178.1	67.2	-161.8	0.9	111.2	H333 E334 V335 A339 R340 Q341 D360	H333-R337 WeakPolarHBondContact O-CB 3.47Å; H333-R337 PolarHBondContact O-N 3.43Å; E334-R337 PolarHBondContact O-N 3.1Å; V335-R337 VanDerWaalsContact C-N 3.3Å; V335-R337 PolarHBondContact O-N 2.72Å; R337-A339 PolarHBondContact O-N 3.36Å; R337-R340 WeakPolarHBondContact O-CB 3.4Å; R337-R340 PolarHBondContact O-N 3.47Å; R337-R340 VanDerWaalsContact O-N 3.16Å; R337-Q341 HydrophobicContact CG-CG 4.36Å; R337-Q341 WeakPolarHBondContact O-CB 3.49Å; R337-Q341 WeakPolarHBondContact O-CG 3.47Å; R337-Q341 PolarHBondContact O-N 3.39Å; R337-D360 WeakPolarHBondContact CD-OD2 3.34Å; R337-D360 WeakPolarHBondContact CG-OD2 3.47Å
338	H	86.8	Confident	80.3	Confident	33 Å²	33	69.7 Å²	69.7	15%	0.153	36%	0.363	C	S	.	.	H	α-helix	trans	-53.3	-49.8	173.8	168.8	84.8	0	0	0	111.5	C325 Y327 E334 V335 R340 Q341 V342 H343	C325-H338 PolarHBondContact SG-NE2 2.94Å; Y327-H338 HydrophobicContact CD1-CB 3.75Å; Y327-H338 AromaticContact CD1-CD2 3.67Å; Y327-H338 AromaticContact CD1-CG 3.38Å; Y327-H338 AromaticContact CD1-ND1 3.7Å; Y327-H338 AromaticContact CD2-ND1 3.88Å; Y327-H338 HydrophobicContact CE1-CB 3.58Å; Y327-H338 AromaticContact CE1-CG 3.7Å; Y327-H338 AromaticContact CG-CD2 3.96Å; Y327-H338 AromaticContact CG-CG 3.77Å; Y327-H338 AromaticContact CG-ND1 3.61Å; E334-H338 VanDerWaalsContact O-CB 3.32Å; E334-H338 WeakPolarHBondContact O-CB 3.32Å; E334-H338 PolarHBondContact O-N 3.12Å; V335-H338 PolarHBondContact O-N 3.4Å; H338-R340 VanDerWaalsContact C-N 3.29Å; H338-R340 PolarHBondContact O-N 3.38Å; H338-Q341 PolarHBondContact O-N 3.44Å; H338-Q341 VanDerWaalsContact O-N 3.12Å; H338-V342 WeakPolarHBondContact O-CB 3.49Å; H338-V342 PolarHBondContact O-N 2.38Å; H338-H343 AromaticContact CD2-CD2 3.96Å; H338-H343 AromaticContact NE2-CD2 2.98Å; H338-H343 PolarHBondContact NE2-CD2 3.37Å; H338-H343 AromaticContact NE2-CE1 3.56Å; H338-H343 AromaticContact NE2-NE2 2.38Å; H338-H343 PolarHBondContact NE2-NE2 3.42Å
339	A	86.1	Confident	79.5	Confident	34 Å²	34	67.6 Å²	67.6	28%	0.281	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-38.8	178.9	0	0	0	0	0	112.7	V335 R337 H343	V335-A339 WeakPolarHBondContact O-CB 3.4Å; V335-A339 PolarHBondContact O-N 3.26Å; R337-A339 PolarHBondContact O-N 3.36Å; A339-H343 PolarHBondContact O-N 2.44Å
340	R	81.9	Confident	79.2	Confident	136 Å²	136	70.9 Å²	70.9	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-70.4	-34.8	175.1	-73	168.3	179.2	-94.6	-4.3	113.4	T336 R337 H338 A359	T336-R340 WeakPolarHBondContact O-CD 3.36Å; T336-R340 VanDerWaalsContact O-CG 3.26Å; T336-R340 WeakPolarHBondContact O-CG 3.16Å; T336-R340 PolarHBondContact O-N 3.46Å; R337-R340 WeakPolarHBondContact O-CB 3.4Å; R337-R340 PolarHBondContact O-N 3.47Å; R337-R340 VanDerWaalsContact O-N 3.16Å; H338-R340 VanDerWaalsContact C-N 3.29Å; H338-R340 PolarHBondContact O-N 3.38Å; R340-A359 HydrophobicContact CB-CB 3.97Å; R340-A359 VanDerWaalsContact O-CB 3.31Å; R340-A359 WeakPolarHBondContact O-CB 3.48Å
341	Q	80.9	Confident	79.1	Confident	76 Å²	76	70.7 Å²	70.7	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-79.3	-48.6	-179.4	-72.1	176.7	-5.2	0	0	112.6	R337 H338 D360	R337-Q341 HydrophobicContact CG-CG 4.36Å; R337-Q341 WeakPolarHBondContact O-CB 3.49Å; R337-Q341 WeakPolarHBondContact O-CG 3.47Å; R337-Q341 PolarHBondContact O-N 3.39Å; H338-Q341 PolarHBondContact O-N 3.44Å; H338-Q341 VanDerWaalsContact O-N 3.12Å; Q341-D360 PolarHBondContact NE2-OD2 3.24Å
342	V	80.2	Confident	78.8	Confident	71 Å²	71	74.2 Å²	74.2	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-96.4	-46.2	-165.5	179	0	0	0	0	112.3	H338 N344	H338-V342 WeakPolarHBondContact O-CB 3.49Å; H338-V342 PolarHBondContact O-N 2.38Å; V342-N344 PolarHBondContact O-N 2.85Å
343	H	79.6	Confident	78.4	Confident	64 Å²	64	74.3 Å²	74.3	30%	0.296	39%	0.392	S	S	.	.	S	Bend	trans	-85.3	27.6	-175.2	-66	-67.3	0	0	0	113.7	S324 C325 H338 A339 G345	S324-H343 WeakPolarHBondContact CB-ND1 3.3Å; S324-H343 PolarHBondContact O-CE1 2.98Å; C325-H343 PolarHBondContact SG-NE2 2.8Å; H338-H343 AromaticContact CD2-CD2 3.96Å; H338-H343 AromaticContact NE2-CD2 2.98Å; H338-H343 PolarHBondContact NE2-CD2 3.37Å; H338-H343 AromaticContact NE2-CE1 3.56Å; H338-H343 AromaticContact NE2-NE2 2.38Å; H338-H343 PolarHBondContact NE2-NE2 3.42Å; A339-H343 PolarHBondContact O-N 2.44Å; H343-G345 PolarHBondContact O-N 2.91Å
344	N	68.2	Low	78.3	Confident	118 Å²	118	70.4 Å²	70.4	63%	0.631	38%	0.38	S	S	*	.			trans	44	42.5	178.8	-70	-48.2	0	0	0	114.1	V342 K347	V342-N344 PolarHBondContact O-N 2.85Å; N344-K347 WeakPolarHBondContact OD1-CE 3.4Å; N344-K347 PolarHBondContact OD1-NZ 2.9Å
345	G	64	Low	78.1	Confident	21 Å²	21	76.6 Å²	76.6	22%	0.216	41%	0.408	C	S	.	.			trans	-51.7	149.2	154.4	0	0	0	0	0	109.3	H343 K347	H343-G345 PolarHBondContact O-N 2.91Å; G345-K347 PolarHBondContact O-N 3.09Å
346	P	61.2	Low	77.7	Confident	118 Å²	118	80.2 Å²	80.2	77%	0.766	42%	0.421	S	S	*	.			trans	-52.6	139.7	-177.4	20.9	-32.6	0	0	0	110.3	P348	P346-P348 WeakPolarHBondContact O-CD 3.33Å
347	K	64.1	Low	77.4	Confident	90 Å²	90	83.8 Å²	83.8	39%	0.391	43%	0.432	S	S	.	.			trans	-102.2	75.7	-178.6	-65.9	171.7	-172.1	166.5	0	108.8	N344 G345 L349 K357 T358 A359	N344-K347 WeakPolarHBondContact OD1-CE 3.4Å; N344-K347 PolarHBondContact OD1-NZ 2.9Å; G345-K347 PolarHBondContact O-N 3.09Å; K347-L349 PolarHBondContact O-N 3.1Å; K347-K357 HydrophobicContact CB-CB 4.33Å; K347-T358 CarbonylContact C-O 3.58Å; K347-A359 HydrophobicContact CG-CB 4.37Å
348	P	66.4	Low	77.2	Confident	95 Å²	95	79.7 Å²	79.7	62%	0.617	42%	0.418	S	S	*	.			trans	-70.5	-1.1	-169.5	30.2	-39.4	0	0	0	114.5	P346	P346-P348 WeakPolarHBondContact O-CD 3.33Å
349	L	73.6	Confident	76.7	Confident	34 Å²	34	78.8 Å²	78.8	18%	0.178	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	87	-176.1	-55.1	178.5	0	0	0	110.1	K347 T358 R361 F364	K347-L349 PolarHBondContact O-N 3.1Å; L349-T358 HydrophobicContact CB-CG2 4.18Å; L349-T358 WeakPolarHBondContact CB-O 3.26Å; L349-T358 PolarHBondContact N-O 2.99Å; L349-T358 PolarHBondContact O-N 3.35Å; L349-R361 VanDerWaalsContact CD1-CA 3.42Å; L349-R361 HydrophobicContact CD1-CB 3.88Å; L349-R361 HydrophobicContact CD1-CG 4.26Å; L349-F364 HydrophobicContact CB-CB 3.97Å; L349-F364 HydrophobicContact CB-CD2 3.64Å; L349-F364 HydrophobicContact CB-CE2 4.24Å; L349-F364 HydrophobicContact CB-CG 3.8Å; L349-F364 HydrophobicContact CD1-CB 3.78Å; L349-F364 HydrophobicContact CD1-CD1 4.47Å; L349-F364 HydrophobicContact CD1-CG 4.12Å; L349-F364 HydrophobicContact CG-CG 4.45Å
350	S	80.6	Confident	76.4	Confident	71 Å²	71	78.4 Å²	78.4	50%	0.497	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.2	167.3	49.7	0	0	0	0	110.7	F364	S350-F364 WeakPolarHBondContact O-CE2 3.38Å
351	C	84.1	Confident	76.3	Confident	11 Å²	11	80 Å²	80	7%	0.074	42%	0.415	C	S	.	.			trans	-64.7	139.4	172.1	-171.7	0	0	0	0	110.8	Y353 C354 Y356 H367 H371	C351-Y353 VanDerWaalsContact C-N 3.27Å; C351-Y353 PolarHBondContact SG-N 3.37Å; C351-Y353 VanDerWaalsContact SG-N 3.39Å; C351-C354 WeakPolarHBondContact CB-O 3.2Å; C351-Y356 PolarHBondContact N-O 3.06Å; C351-H367 VanDerWaalsContact SG-CD2 3.58Å; C351-H367 PolarHBondContact SG-NE2 3.43Å; C351-H367 VanDerWaalsContact SG-NE2 3.42Å; C351-H371 VanDerWaalsContact SG-CD2 3.54Å
352	P	79.8	Confident	76.4	Confident	98 Å²	98	80.2 Å²	80.2	64%	0.636	43%	0.425	S	S	*	.	S	Bend	trans	-78.1	-11.1	172.6	31.5	-35.8	0	0	0	113.4
353	Y	77.6	Confident	76.4	Confident	136 Å²	136	79.5 Å²	79.5	53%	0.533	42%	0.419	S	S	.	.	S	Bend	trans	-107.3	-10.8	-175.3	-55.5	-63.6	0	0	0	114.1	C351 V368 H371 L372	C351-Y353 VanDerWaalsContact C-N 3.27Å; C351-Y353 PolarHBondContact SG-N 3.37Å; C351-Y353 VanDerWaalsContact SG-N 3.39Å; Y353-V368 HydrophobicContact CE2-CG1 4.24Å; Y353-H371 HydrophobicContact CD2-CB 3.61Å; Y353-H371 AromaticContact CD2-CG 3.95Å; Y353-H371 HydrophobicContact CE2-CB 4.35Å; Y353-H371 HydrophobicContact CG-CB 4Å; Y353-L372 HydrophobicContact CE2-CD2 4.22Å
354	C	83.6	Confident	76.6	Confident	53 Å²	53	78.7 Å²	78.7	36%	0.358	41%	0.414	S	S	.	.	S	Bend	trans	-163.8	174.8	171.3	72.2	0	0	0	0	110.9	C351 Y356 H367 H371	C351-C354 WeakPolarHBondContact CB-O 3.2Å; C354-Y356 PolarHBondContact O-N 2.83Å; C354-H367 VanDerWaalsContact SG-CE1 3.52Å; C354-H367 PolarHBondContact SG-NE2 3.38Å; C354-H371 VanDerWaalsContact SG-CE1 3.58Å; C354-H371 PolarHBondContact SG-NE2 3.41Å; C354-H371 VanDerWaalsContact SG-NE2 3.35Å
355	E	81	Confident	77.4	Confident	176 Å²	176	79.8 Å²	79.8	82%	0.822	41%	0.414	S	S	*	.	S	Bend	trans	-71.5	1	-173.5	-55.3	-173.4	174.4	0	0	115.9	K357	E355-K357 WeakPolarHBondContact O-CG 3.48Å; E355-K357 PolarHBondContact O-N 3.05Å
356	Y	79.8	Confident	78.2	Confident	94 Å²	94	84.9 Å²	84.9	37%	0.369	43%	0.43	S	S	.	.			trans	-61.3	120	-177.7	-177.5	-97.6	0	0	0	112.2	C351 C354 T358 H367	C351-Y356 PolarHBondContact N-O 3.06Å; C354-Y356 PolarHBondContact O-N 2.83Å; Y356-T358 HydrophobicContact CE1-CG2 3.84Å; Y356-H367 WeakPolarHBondContact CB-CE1 3.32Å; Y356-H367 WeakPolarHBondContact CB-NE2 3.47Å; Y356-H367 HydrophobicContact CD1-CB 3.98Å; Y356-H367 AromaticContact CD1-CD2 3.54Å; Y356-H367 AromaticContact CD1-CE1 3.78Å; Y356-H367 AromaticContact CD1-CG 3.38Å; Y356-H367 AromaticContact CD1-ND1 3.54Å; Y356-H367 AromaticContact CD1-NE2 3.79Å; Y356-H367 HydrophobicContact CE1-CB 3.86Å; Y356-H367 AromaticContact CE1-CG 3.75Å; Y356-H367 AromaticContact CE1-ND1 4Å; Y356-H367 AromaticContact CG-CE1 3.51Å; Y356-H367 AromaticContact CG-CG 3.93Å; Y356-H367 AromaticContact CG-ND1 3.59Å; Y356-H367 AromaticContact CG-NE2 3.8Å
357	K	80.9	Confident	79.3	Confident	133 Å²	133	80.5 Å²	80.5	58%	0.578	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	-179.5	-69.3	154.4	-171.6	168	0	109.9	K347 E355	K347-K357 HydrophobicContact CB-CB 4.33Å; E355-K357 WeakPolarHBondContact O-CG 3.48Å; E355-K357 PolarHBondContact O-N 3.05Å
358	T	79.9	Confident	80.2	Confident	12 Å²	12	77.3 Å²	77.3	7%	0.074	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.9	179.4	-168.9	0	0	0	0	112.4	K347 L349 Y356 D360 F364	K347-T358 CarbonylContact C-O 3.58Å; L349-T358 HydrophobicContact CB-CG2 4.18Å; L349-T358 WeakPolarHBondContact CB-O 3.26Å; L349-T358 PolarHBondContact N-O 2.99Å; L349-T358 PolarHBondContact O-N 3.35Å; Y356-T358 HydrophobicContact CE1-CG2 3.84Å; T358-D360 PolarHBondContact OG1-N 2.7Å; T358-F364 HydrophobicContact CG2-CB 3.7Å
359	A	76.7	Confident	81	Confident	14 Å²	14	77 Å²	77	12%	0.116	38%	0.377	C	S	.	.	S	Bend	trans	-89.7	-14.3	173.2	0	0	0	0	0	113	R340 K347	R340-A359 HydrophobicContact CB-CB 3.97Å; R340-A359 VanDerWaalsContact O-CB 3.31Å; R340-A359 WeakPolarHBondContact O-CB 3.48Å; K347-A359 HydrophobicContact CG-CB 4.37Å
360	D	80.2	Confident	81.2	Confident	26 Å²	26	78.8 Å²	78.8	14%	0.139	39%	0.387	C	S	.	.			trans	-106.5	120.2	-171.4	-94.3	-0.3	0	0	0	113.1	R337 Q341 T358 S362 N363 F364	R337-D360 WeakPolarHBondContact CD-OD2 3.34Å; R337-D360 WeakPolarHBondContact CG-OD2 3.47Å; Q341-D360 PolarHBondContact NE2-OD2 3.24Å; T358-D360 PolarHBondContact OG1-N 2.7Å; D360-S362 VanDerWaalsContact C-N 3.25Å; D360-S362 PolarHBondContact O-N 2.82Å; D360-N363 HydrophobicContact CB-CB 4.02Å; D360-N363 PolarHBondContact O-N 3.43Å; D360-N363 VanDerWaalsContact O-N 3.1Å; D360-N363 PolarHBondContact OD2-ND2 2.97Å; D360-F364 PolarHBondContact O-N 2.82Å
361	R	80	Confident	81	Confident	168 Å²	168	78.6 Å²	78.6	63%	0.634	38%	0.378	S	S	*	.	H	α-helix	trans	-60	-32.6	178.5	-165.5	175.6	-178.8	90.8	-0.9	113.6	L349 K365	L349-R361 VanDerWaalsContact CD1-CA 3.42Å; L349-R361 HydrophobicContact CD1-CB 3.88Å; L349-R361 HydrophobicContact CD1-CG 4.26Å; R361-K365 PolarHBondContact O-N 2.88Å
362	S	82.1	Confident	80.6	Confident	82 Å²	82	83.1 Å²	83.1	57%	0.573	40%	0.401	S	S	*	.	H	α-helix	trans	-69.6	-38.5	176.5	-54.3	0	0	0	0	112.4	D360 K366	D360-S362 VanDerWaalsContact C-N 3.25Å; D360-S362 PolarHBondContact O-N 2.82Å; S362-K366 WeakPolarHBondContact O-CB 3.38Å; S362-K366 VanDerWaalsContact O-CG 3.3Å; S362-K366 WeakPolarHBondContact O-CG 3.43Å; S362-K366 PolarHBondContact O-N 3.19Å; S362-K366 VanDerWaalsContact O-N 3.14Å
363	N	81.6	Confident	80.1	Confident	55 Å²	55	81.3 Å²	81.3	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-75.3	-38.1	177.2	-66.2	-20	0	0	0	110.6	D360 K366 H367	D360-N363 HydrophobicContact CB-CB 4.02Å; D360-N363 PolarHBondContact O-N 3.43Å; D360-N363 VanDerWaalsContact O-N 3.1Å; D360-N363 PolarHBondContact OD2-ND2 2.97Å; N363-K366 PolarHBondContact O-N 3.14Å; N363-H367 VanDerWaalsContact O-CB 3.24Å; N363-H367 WeakPolarHBondContact O-CB 3.4Å; N363-H367 PolarHBondContact O-N 3.4Å
364	F	83.4	Confident	79.6	Confident	47 Å²	47	79.4 Å²	79.4	21%	0.206	39%	0.39	C	S	.	.	H	α-helix	trans	-56.9	-49.9	170.9	178.8	-103.4	0	0	0	112.1	L349 S350 T358 D360 H367 V368	L349-F364 HydrophobicContact CB-CB 3.97Å; L349-F364 HydrophobicContact CB-CD2 3.64Å; L349-F364 HydrophobicContact CB-CE2 4.24Å; L349-F364 HydrophobicContact CB-CG 3.8Å; L349-F364 HydrophobicContact CD1-CB 3.78Å; L349-F364 HydrophobicContact CD1-CD1 4.47Å; L349-F364 HydrophobicContact CD1-CG 4.12Å; L349-F364 HydrophobicContact CG-CG 4.45Å; S350-F364 WeakPolarHBondContact O-CE2 3.38Å; T358-F364 HydrophobicContact CG2-CB 3.7Å; D360-F364 PolarHBondContact O-N 2.82Å; F364-H367 PolarHBondContact O-N 3.29Å; F364-V368 HydrophobicContact CD1-CG2 4.36Å; F364-V368 HydrophobicContact CD2-CG2 4.17Å; F364-V368 HydrophobicContact CE1-CG2 3.94Å; F364-V368 HydrophobicContact CE2-CG2 3.75Å; F364-V368 HydrophobicContact CG-CG2 4.47Å; F364-V368 HydrophobicContact CZ-CG2 3.63Å; F364-V368 WeakPolarHBondContact O-CG2 3.45Å; F364-V368 PolarHBondContact O-N 3.44Å
365	K	84.7	Confident	78.7	Confident	141 Å²	141	85 Å²	85	61%	0.613	40%	0.404	S	S	*	.	H	α-helix	trans	-58.8	-52.3	177.2	-170	-167.3	173.5	-163.2	0	110.9	R361 H367 V368 E369	R361-K365 PolarHBondContact O-N 2.88Å; K365-H367 PolarHBondContact O-N 2.97Å; K365-V368 PolarHBondContact O-N 3.19Å; K365-E369 WeakPolarHBondContact O-CB 3.39Å; K365-E369 PolarHBondContact O-N 3.35Å
366	K	80.6	Confident	78	Confident	128 Å²	128	79.6 Å²	79.6	56%	0.557	38%	0.379	S	S	*	.	H	α-helix	trans	-58.2	-29	178.5	-73.9	174.1	179.2	-179.1	0	113	S362 N363 L370	S362-K366 WeakPolarHBondContact O-CB 3.38Å; S362-K366 VanDerWaalsContact O-CG 3.3Å; S362-K366 WeakPolarHBondContact O-CG 3.43Å; S362-K366 PolarHBondContact O-N 3.19Å; S362-K366 VanDerWaalsContact O-N 3.14Å; N363-K366 PolarHBondContact O-N 3.14Å; K366-L370 WeakPolarHBondContact O-CG 3.38Å
367	H	83.9	Confident	77.7	Confident	27 Å²	27	76.9 Å²	76.9	13%	0.125	37%	0.369	C	S	.	.	H	α-helix	trans	-80.5	-48	177.2	173.7	86	0	0	0	112.3	C351 C354 Y356 N363 F364 K365 E369 L370 H371	C351-H367 VanDerWaalsContact SG-CD2 3.58Å; C351-H367 PolarHBondContact SG-NE2 3.43Å; C351-H367 VanDerWaalsContact SG-NE2 3.42Å; C354-H367 VanDerWaalsContact SG-CE1 3.52Å; C354-H367 PolarHBondContact SG-NE2 3.38Å; Y356-H367 WeakPolarHBondContact CB-CE1 3.32Å; Y356-H367 WeakPolarHBondContact CB-NE2 3.47Å; Y356-H367 HydrophobicContact CD1-CB 3.98Å; Y356-H367 AromaticContact CD1-CD2 3.54Å; Y356-H367 AromaticContact CD1-CE1 3.78Å; Y356-H367 AromaticContact CD1-CG 3.38Å; Y356-H367 AromaticContact CD1-ND1 3.54Å; Y356-H367 AromaticContact CD1-NE2 3.79Å; Y356-H367 HydrophobicContact CE1-CB 3.86Å; Y356-H367 AromaticContact CE1-CG 3.75Å; Y356-H367 AromaticContact CE1-ND1 4Å; Y356-H367 AromaticContact CG-CE1 3.51Å; Y356-H367 AromaticContact CG-CG 3.93Å; Y356-H367 AromaticContact CG-ND1 3.59Å; Y356-H367 AromaticContact CG-NE2 3.8Å; N363-H367 VanDerWaalsContact O-CB 3.24Å; N363-H367 WeakPolarHBondContact O-CB 3.4Å; N363-H367 PolarHBondContact O-N 3.4Å; F364-H367 PolarHBondContact O-N 3.29Å; K365-H367 PolarHBondContact O-N 2.97Å; H367-E369 PolarHBondContact O-N 2.86Å; H367-L370 VanDerWaalsContact O-CB 3.29Å; H367-L370 WeakPolarHBondContact O-CB 3.17Å; H367-L370 PolarHBondContact O-N 2.88Å; H367-H371 AromaticContact CD2-CD2 3.95Å; H367-H371 AromaticContact CD2-NE2 3.82Å; H367-H371 AromaticContact CE1-NE2 3.48Å; H367-H371 PolarHBondContact CE1-NE2 3.44Å; H367-H371 AromaticContact NE2-CD2 3.56Å; H367-H371 AromaticContact NE2-NE2 2.97Å; H367-H371 PolarHBondContact NE2-NE2 3.43Å; H367-H371 PolarHBondContact O-CD2 2.92Å
368	V	82.9	Confident	77.5	Confident	23 Å²	23	74.7 Å²	74.7	14%	0.139	36%	0.363	C	S	.	.	H	α-helix	trans	-60.5	-34.3	175.2	173	0	0	0	0	111.1	Y353 F364 K365 L370 H371 L372	Y353-V368 HydrophobicContact CE2-CG1 4.24Å; F364-V368 HydrophobicContact CD1-CG2 4.36Å; F364-V368 HydrophobicContact CD2-CG2 4.17Å; F364-V368 HydrophobicContact CE1-CG2 3.94Å; F364-V368 HydrophobicContact CE2-CG2 3.75Å; F364-V368 HydrophobicContact CG-CG2 4.47Å; F364-V368 HydrophobicContact CZ-CG2 3.63Å; F364-V368 WeakPolarHBondContact O-CG2 3.45Å; F364-V368 PolarHBondContact O-N 3.44Å; K365-V368 PolarHBondContact O-N 3.19Å; V368-L370 PolarHBondContact O-N 3.1Å; V368-H371 PolarHBondContact O-N 3.24Å; V368-L372 HydrophobicContact CG1-CD1 4.08Å; V368-L372 HydrophobicContact CG1-CG 4.38Å; V368-L372 PolarHBondContact O-N 3.03Å; V368-L372 VanDerWaalsContact O-N 3.11Å
369	E	83.4	Confident	77.6	Confident	87 Å²	87	74.7 Å²	74.7	41%	0.407	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-27.6	172.5	-172	161.8	-125.4	0	0	113.1	K365 H367 N373	K365-E369 WeakPolarHBondContact O-CB 3.39Å; K365-E369 PolarHBondContact O-N 3.35Å; H367-E369 PolarHBondContact O-N 2.86Å; E369-N373 WeakPolarHBondContact O-CA 3.5Å; E369-N373 VanDerWaalsContact O-CB 3.26Å; E369-N373 WeakPolarHBondContact O-CB 3.49Å; E369-N373 PolarHBondContact O-N 2.9Å
370	L	78.5	Confident	77.5	Confident	72 Å²	72	77.2 Å²	77.2	38%	0.377	38%	0.379	S	S	.	.	H	α-helix	trans	-71.6	-31.3	173.2	-59.5	173.6	0	0	0	113.1	K366 H367 V368 N373 P374 S387	K366-L370 WeakPolarHBondContact O-CG 3.38Å; H367-L370 VanDerWaalsContact O-CB 3.29Å; H367-L370 WeakPolarHBondContact O-CB 3.17Å; H367-L370 PolarHBondContact O-N 2.88Å; V368-L370 PolarHBondContact O-N 3.1Å; L370-N373 CarbonylContact O-C 3.59Å; L370-P374 VanDerWaalsContact O-CA 3.28Å; L370-P374 WeakPolarHBondContact O-CA 3.33Å; L370-S387 VanDerWaalsContact CD2-CB 3.45Å
371	H	75.8	Confident	77.3	Confident	67 Å²	67	79.3 Å²	79.3	31%	0.31	39%	0.389	S	S	.	.	H	α-helix	trans	-78.7	-35.6	177.8	-66.8	-79.2	0	0	0	112.1	C351 Y353 C354 H367 V368	C351-H371 VanDerWaalsContact SG-CD2 3.54Å; Y353-H371 HydrophobicContact CD2-CB 3.61Å; Y353-H371 AromaticContact CD2-CG 3.95Å; Y353-H371 HydrophobicContact CE2-CB 4.35Å; Y353-H371 HydrophobicContact CG-CB 4Å; C354-H371 VanDerWaalsContact SG-CE1 3.58Å; C354-H371 PolarHBondContact SG-NE2 3.41Å; C354-H371 VanDerWaalsContact SG-NE2 3.35Å; H367-H371 AromaticContact CD2-CD2 3.95Å; H367-H371 AromaticContact CD2-NE2 3.82Å; H367-H371 AromaticContact CE1-NE2 3.48Å; H367-H371 PolarHBondContact CE1-NE2 3.44Å; H367-H371 AromaticContact NE2-CD2 3.56Å; H367-H371 AromaticContact NE2-NE2 2.97Å; H367-H371 PolarHBondContact NE2-NE2 3.43Å; H367-H371 PolarHBondContact O-CD2 2.92Å; V368-H371 PolarHBondContact O-N 3.24Å
372	L	76	Confident	77.5	Confident	106 Å²	106	73.8 Å²	73.8	56%	0.555	38%	0.376	S	S	*	.	H	α-helix	trans	-78.4	-29.3	175.5	-61.7	177.1	0	0	0	112.5	Y353 V368	Y353-L372 HydrophobicContact CE2-CD2 4.22Å; V368-L372 HydrophobicContact CG1-CD1 4.08Å; V368-L372 HydrophobicContact CG1-CG 4.38Å; V368-L372 PolarHBondContact O-N 3.03Å; V368-L372 VanDerWaalsContact O-N 3.11Å
373	N	70.3	Confident	77.3	Confident	61 Å²	61	80.2 Å²	80.2	33%	0.326	39%	0.394	S	S	.	.	S	Bend	trans	-127.6	58.5	-178	-62.3	-63	0	0	0	112.5	E369 L370 R375 Q376	E369-N373 WeakPolarHBondContact O-CA 3.5Å; E369-N373 VanDerWaalsContact O-CB 3.26Å; E369-N373 WeakPolarHBondContact O-CB 3.49Å; E369-N373 PolarHBondContact O-N 2.9Å; L370-N373 CarbonylContact O-C 3.59Å; N373-R375 PolarHBondContact O-N 2.84Å; N373-Q376 HydrophobicContact CB-CG 3.94Å; N373-Q376 PolarHBondContact OD1-NE2 3.49Å
374	P	66.3	Low	77.3	Confident	96 Å²	96	82.2 Å²	82.2	62%	0.623	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	106	-176.9	27.3	-34.4	0	0	0	111	L370	L370-P374 VanDerWaalsContact O-CA 3.28Å; L370-P374 WeakPolarHBondContact O-CA 3.33Å
375	R	64.8	Low	77.2	Confident	169 Å²	169	81 Å²	81	64%	0.638	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	49.5	171.9	-54.3	178	177.1	177.9	-1.5	115.2	N373 F377 A385 A386	N373-R375 PolarHBondContact O-N 2.84Å; R375-F377 PolarHBondContact O-N 3.42Å; R375-F377 VanDerWaalsContact O-N 3.13Å; R375-A385 HydrophobicContact CB-CB 3.86Å; R375-A385 WeakPolarHBondContact CD-O 3.29Å; R375-A385 HydrophobicContact CG-CB 4.42Å; R375-A385 WeakPolarHBondContact CG-O 3.45Å; R375-A386 CarbonylContact C-O 3.21Å; R375-A386 VanDerWaalsContact C-O 3.26Å; R375-A386 VanDerWaalsContact CA-O 3.3Å; R375-A386 WeakPolarHBondContact CA-O 3.43Å
376	Q	66.1	Low	76.9	Confident	64 Å²	64	74.4 Å²	74.4	30%	0.299	37%	0.368	S	S	.	.			trans	-49.6	-33	176	-86.6	-175.2	-8.2	0	0	115.9	N373 L378 A386 L414	N373-Q376 HydrophobicContact CB-CG 3.94Å; N373-Q376 PolarHBondContact OD1-NE2 3.49Å; Q376-L378 PolarHBondContact O-N 3.2Å; Q376-A386 PolarHBondContact N-O 3.27Å; Q376-L414 HydrophobicContact CB-CD2 3.7Å; Q376-L414 HydrophobicContact CG-CD2 3.9Å
377	F	73.1	Confident	76.6	Confident	36 Å²	36	70.3 Å²	70.3	16%	0.158	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	86.5	-169.1	-58.2	-84	0	0	0	110.6	R375 A386 K388 K389 L392	R375-F377 PolarHBondContact O-N 3.42Å; R375-F377 VanDerWaalsContact O-N 3.13Å; F377-A386 HydrophobicContact CB-CB 4.27Å; F377-A386 WeakPolarHBondContact CB-O 3.5Å; F377-A386 PolarHBondContact N-O 3.41Å; F377-A386 PolarHBondContact O-N 2.76Å; F377-K388 VanDerWaalsContact CD2-C 3.48Å; F377-K389 HydrophobicContact CD1-CB 4.32Å; F377-K389 HydrophobicContact CE1-CB 4.03Å; F377-K389 HydrophobicContact CZ-CB 4.25Å; F377-L392 HydrophobicContact CB-CB 4.05Å; F377-L392 HydrophobicContact CB-CD2 3.85Å
378	L	78.3	Confident	76.3	Confident	88 Å²	88	74.1 Å²	74.1	46%	0.461	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	140.6	172.7	-57.5	-177.5	0	0	0	110.6	Q376 A385 L392 V412	Q376-L378 PolarHBondContact O-N 3.2Å; L378-A385 HydrophobicContact CD2-CB 3.52Å; L378-L392 WeakPolarHBondContact O-CD2 3.38Å; L378-V412 WeakPolarHBondContact O-CG1 3.24Å
379	C	81.9	Confident	76.1	Confident	11 Å²	11	77.1 Å²	77.1	7%	0.074	38%	0.383	C	S	.	.			trans	-72.7	131.5	167.5	-170.7	0	0	0	0	109.6	L381 C382 Y384 L392 H395	C379-L381 PolarHBondContact O-N 2.9Å; C379-L381 PolarHBondContact SG-N 3.12Å; C379-C382 WeakPolarHBondContact CB-O 3.42Å; C379-Y384 PolarHBondContact N-O 2.81Å; C379-L392 HydrophobicContact CB-CD1 3.68Å; C379-H395 PolarHBondContact SG-NE2 3.31Å; C379-H395 VanDerWaalsContact SG-NE2 3.36Å
380	P	73.7	Confident	75.9	Confident	68 Å²	68	76.6 Å²	76.6	44%	0.442	39%	0.388	S	S	.	.	S	Bend	trans	-73.2	-16.8	174.2	27	-31.8	0	0	0	113	L407	P380-L407 HydrophobicContact CB-CD1 4.17Å; P380-L407 HydrophobicContact CG-CD1 3.71Å
381	L	77.1	Confident	76.1	Confident	70 Å²	70	76.3 Å²	76.3	37%	0.366	39%	0.387	S	S	.	.	S	Bend	trans	-106.1	-10	-174.1	-59.8	176.2	0	0	0	114.1	C379 H400 C403	C379-L381 PolarHBondContact O-N 2.9Å; C379-L381 PolarHBondContact SG-N 3.12Å; L381-H400 VanDerWaalsContact CB-CE1 3.45Å; L381-H400 WeakPolarHBondContact CB-CE1 3.26Å; L381-H400 HydrophobicContact CD1-CB 3.69Å; L381-C403 HydrophobicContact CD1-CB 3.74Å
382	C	83.6	Confident	76.4	Confident	52 Å²	52	73.1 Å²	73.1	35%	0.351	37%	0.372	S	S	.	.	S	Bend	trans	-159.5	176.7	172.1	76.8	0	0	0	0	112.4	C379 Y384 H395	C379-C382 WeakPolarHBondContact CB-O 3.42Å; C382-Y384 PolarHBondContact O-N 3.16Å; C382-Y384 VanDerWaalsContact SG-CB 3.55Å; C382-Y384 PolarHBondContact SG-N 3.31Å; C382-H395 PolarHBondContact SG-CE1 3.35Å; C382-H395 PolarHBondContact SG-NE2 3.33Å
383	K	78.1	Confident	76.6	Confident	217 Å²	217	73.2 Å²	73.2	94%	0.943	37%	0.37	S	S	*	.	S	Bend	trans	-71.3	6.4	-178.6	-60.2	177.1	-177	173.3	0	114.8
384	Y	81.5	Confident	77.2	Confident	97 Å²	97	78.6 Å²	78.6	38%	0.38	39%	0.387	S	S	.	.			trans	-69.3	141.7	178.5	-174.5	-106.4	0	0	0	111.7	C379 C382 A386 H395	C379-Y384 PolarHBondContact N-O 2.81Å; C382-Y384 PolarHBondContact O-N 3.16Å; C382-Y384 VanDerWaalsContact SG-CB 3.55Å; C382-Y384 PolarHBondContact SG-N 3.31Å; Y384-A386 HydrophobicContact CE1-CB 3.85Å; Y384-H395 HydrophobicContact CD1-CB 3.75Å; Y384-H395 AromaticContact CD1-CD2 3.51Å; Y384-H395 AromaticContact CD1-CE1 3.97Å; Y384-H395 AromaticContact CD1-CG 3.3Å; Y384-H395 AromaticContact CD1-ND1 3.61Å; Y384-H395 AromaticContact CD1-NE2 3.91Å; Y384-H395 HydrophobicContact CE1-CB 3.58Å; Y384-H395 AromaticContact CE1-CG 3.68Å; Y384-H395 AromaticContact CG-CE1 3.77Å; Y384-H395 AromaticContact CG-CG 3.88Å; Y384-H395 AromaticContact CG-ND1 3.69Å; Y384-H395 AromaticContact CG-NE2 3.98Å
385	A	79.8	Confident	78.1	Confident	20 Å²	20	75 Å²	75	17%	0.165	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	108	-172	0	0	0	0	0	110.2	R375 L378	R375-A385 HydrophobicContact CB-CB 3.86Å; R375-A385 WeakPolarHBondContact CD-O 3.29Å; R375-A385 HydrophobicContact CG-CB 4.42Å; R375-A385 WeakPolarHBondContact CG-O 3.45Å; L378-A385 HydrophobicContact CD2-CB 3.52Å
386	A	79.1	Confident	78.9	Confident	3 Å²	3	68.7 Å²	68.7	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	148.5	-172.9	0	0	0	0	0	112.7	R375 Q376 F377 Y384 K388 N391 L392	R375-A386 CarbonylContact C-O 3.21Å; R375-A386 VanDerWaalsContact C-O 3.26Å; R375-A386 VanDerWaalsContact CA-O 3.3Å; R375-A386 WeakPolarHBondContact CA-O 3.43Å; Q376-A386 PolarHBondContact N-O 3.27Å; F377-A386 HydrophobicContact CB-CB 4.27Å; F377-A386 WeakPolarHBondContact CB-O 3.5Å; F377-A386 PolarHBondContact N-O 3.41Å; F377-A386 PolarHBondContact O-N 2.76Å; Y384-A386 HydrophobicContact CE1-CB 3.85Å; A386-K388 VanDerWaalsContact C-N 3.34Å; A386-N391 HydrophobicContact CB-CB 3.95Å; A386-L392 HydrophobicContact CB-CB 3.97Å
387	S	75.2	Confident	79.8	Confident	43 Å²	43	74 Å²	74	30%	0.301	36%	0.362	S	S	.	.	S	Bend	trans	-84.3	-3.4	173.1	52.7	0	0	0	0	114.3	L370	L370-S387 VanDerWaalsContact CD2-CB 3.45Å
388	K	76.1	Confident	80.3	Confident	107 Å²	107	74.5 Å²	74.5	47%	0.465	37%	0.37	S	S	.	.	S	Bend	trans	-145.6	143.6	-178.7	-60	178.3	-175.3	168.6	0	111.4	F377 A386 C390 N391 L392	F377-K388 VanDerWaalsContact CD2-C 3.48Å; A386-K388 VanDerWaalsContact C-N 3.34Å; K388-C390 VanDerWaalsContact C-N 3.32Å; K388-C390 PolarHBondContact O-N 3.33Å; K388-N391 HydrophobicContact CB-CB 4.3Å; K388-N391 PolarHBondContact O-N 2.66Å; K388-N391 VanDerWaalsContact O-N 3.12Å; K388-L392 PolarHBondContact O-N 2.8Å; K388-L392 VanDerWaalsContact O-N 3.12Å
389	K	79.1	Confident	80.4	Confident	86 Å²	86	79.4 Å²	79.4	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-52.8	-44.6	173.7	177.3	160.2	172.1	166.2	0	112.3	F377 N391 L392 Q393 V409 S410	F377-K389 HydrophobicContact CD1-CB 4.32Å; F377-K389 HydrophobicContact CE1-CB 4.03Å; F377-K389 HydrophobicContact CZ-CB 4.25Å; K389-N391 PolarHBondContact O-N 3.42Å; K389-L392 PolarHBondContact O-N 3.35Å; K389-Q393 VanDerWaalsContact O-CB 3.31Å; K389-Q393 WeakPolarHBondContact O-CB 3.43Å; K389-Q393 PolarHBondContact O-N 3.36Å; K389-V409 HydrophobicContact CD-CB 4.4Å; K389-V409 HydrophobicContact CD-CG1 4.15Å; K389-V409 HydrophobicContact CG-CB 4.49Å; K389-V409 HydrophobicContact CG-CG1 3.88Å; K389-S410 PolarHBondContact NZ-OG 3.46Å; K389-S410 VanDerWaalsContact NZ-OG 3.08Å
390	C	80.4	Confident	80.1	Confident	75 Å²	75	80.2 Å²	80.2	51%	0.507	39%	0.385	S	S	.	.	H	α-helix	trans	-64.3	-36.7	177.5	54.8	0	0	0	0	114	K388 Q393 Y394	K388-C390 VanDerWaalsContact C-N 3.32Å; K388-C390 PolarHBondContact O-N 3.33Å; C390-Q393 PolarHBondContact O-N 2.8Å; C390-Y394 WeakPolarHBondContact O-CB 3.44Å; C390-Y394 PolarHBondContact O-N 2.78Å
391	N	81.6	Confident	80	Confident	67 Å²	67	81.8 Å²	81.8	36%	0.358	40%	0.397	S	S	.	.	H	α-helix	trans	-68.1	-39.5	176.3	-72.4	36.8	0	0	0	111.3	A386 K388 K389 H395	A386-N391 HydrophobicContact CB-CB 3.95Å; K388-N391 HydrophobicContact CB-CB 4.3Å; K388-N391 PolarHBondContact O-N 2.66Å; K388-N391 VanDerWaalsContact O-N 3.12Å; K389-N391 PolarHBondContact O-N 3.42Å; N391-H395 WeakPolarHBondContact O-CB 3.25Å; N391-H395 PolarHBondContact O-N 3.42Å
392	L	82.2	Confident	79.5	Confident	0 Å²	0	82 Å²	82	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-43.6	171.8	175.7	59.1	0	0	0	111.2	F377 L378 C379 A386 K388 K389 Y394 H395 I396 V409 V412	F377-L392 HydrophobicContact CB-CB 4.05Å; F377-L392 HydrophobicContact CB-CD2 3.85Å; L378-L392 WeakPolarHBondContact O-CD2 3.38Å; C379-L392 HydrophobicContact CB-CD1 3.68Å; A386-L392 HydrophobicContact CB-CB 3.97Å; K388-L392 PolarHBondContact O-N 2.8Å; K388-L392 VanDerWaalsContact O-N 3.12Å; K389-L392 PolarHBondContact O-N 3.35Å; L392-Y394 PolarHBondContact O-N 2.99Å; L392-H395 WeakPolarHBondContact O-CB 3.42Å; L392-H395 PolarHBondContact O-N 3.25Å; L392-H395 VanDerWaalsContact O-N 3.16Å; L392-I396 HydrophobicContact CD1-CD1 3.9Å; L392-I396 HydrophobicContact CD1-CG1 3.99Å; L392-I396 HydrophobicContact CD2-CD1 4.38Å; L392-I396 HydrophobicContact CG-CD1 3.83Å; L392-I396 HydrophobicContact CG-CG1 4.35Å; L392-I396 WeakPolarHBondContact O-CG1 3.37Å; L392-I396 PolarHBondContact O-N 3.16Å; L392-V409 HydrophobicContact CD2-CG1 4.05Å; L392-V412 HydrophobicContact CD2-CG2 4.45Å
393	Q	80.4	Confident	78.6	Confident	108 Å²	108	82.5 Å²	82.5	51%	0.505	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-38.4	-178.8	-168.5	171.8	2.8	0	0	112.3	K389 C390 K397	K389-Q393 VanDerWaalsContact O-CB 3.31Å; K389-Q393 WeakPolarHBondContact O-CB 3.43Å; K389-Q393 PolarHBondContact O-N 3.36Å; C390-Q393 PolarHBondContact O-N 2.8Å; Q393-K397 VanDerWaalsContact O-CB 3.29Å; Q393-K397 WeakPolarHBondContact O-CB 3.44Å; Q393-K397 PolarHBondContact O-N 2.68Å
394	Y	83.8	Confident	77.4	Confident	174 Å²	174	78.9 Å²	78.9	68%	0.682	41%	0.411	S	S	*	.	H	α-helix	trans	-64.7	-43.5	170	-179.5	-93.5	0	0	0	111.8	C390 L392 K397 S398	C390-Y394 WeakPolarHBondContact O-CB 3.44Å; C390-Y394 PolarHBondContact O-N 2.78Å; L392-Y394 PolarHBondContact O-N 2.99Å; Y394-K397 PolarHBondContact O-N 3.24Å; Y394-S398 VanDerWaalsContact O-CB 3.32Å; Y394-S398 WeakPolarHBondContact O-CB 3.28Å; Y394-S398 PolarHBondContact O-N 3.2Å; Y394-S398 PolarHBondContact O-OG 2.98Å
395	H	84	Confident	76.1	Confident	20 Å²	20	78.2 Å²	78.2	9%	0.093	42%	0.417	C	S	.	.	H	α-helix	trans	-59.8	-46.1	175.9	164	79.6	0	0	0	112.1	C379 C382 Y384 N391 L392 S398 R399 H400	C379-H395 PolarHBondContact SG-NE2 3.31Å; C379-H395 VanDerWaalsContact SG-NE2 3.36Å; C382-H395 PolarHBondContact SG-CE1 3.35Å; C382-H395 PolarHBondContact SG-NE2 3.33Å; Y384-H395 HydrophobicContact CD1-CB 3.75Å; Y384-H395 AromaticContact CD1-CD2 3.51Å; Y384-H395 AromaticContact CD1-CE1 3.97Å; Y384-H395 AromaticContact CD1-CG 3.3Å; Y384-H395 AromaticContact CD1-ND1 3.61Å; Y384-H395 AromaticContact CD1-NE2 3.91Å; Y384-H395 HydrophobicContact CE1-CB 3.58Å; Y384-H395 AromaticContact CE1-CG 3.68Å; Y384-H395 AromaticContact CG-CE1 3.77Å; Y384-H395 AromaticContact CG-CG 3.88Å; Y384-H395 AromaticContact CG-ND1 3.69Å; Y384-H395 AromaticContact CG-NE2 3.98Å; N391-H395 WeakPolarHBondContact O-CB 3.25Å; N391-H395 PolarHBondContact O-N 3.42Å; L392-H395 WeakPolarHBondContact O-CB 3.42Å; L392-H395 PolarHBondContact O-N 3.25Å; L392-H395 VanDerWaalsContact O-N 3.16Å; H395-S398 PolarHBondContact O-N 3.15Å; H395-S398 PolarHBondContact O-OG 2.98Å; H395-R399 WeakPolarHBondContact O-CB 3.49Å; H395-R399 PolarHBondContact O-N 3.29Å; H395-H400 AromaticContact NE2-CD2 3.61Å; H395-H400 AromaticContact NE2-NE2 3.48Å; H395-H400 PolarHBondContact NE2-NE2 2.79Å
396	I	82.7	Confident	74.7	Confident	37 Å²	37	84.8 Å²	84.8	19%	0.19	45%	0.449	C	S	.	.	H	α-helix	trans	-60.5	-50.5	174.4	-66.9	169.1	0	0	0	109.8	L392 S398 H400 S401	L392-I396 HydrophobicContact CD1-CD1 3.9Å; L392-I396 HydrophobicContact CD1-CG1 3.99Å; L392-I396 HydrophobicContact CD2-CD1 4.38Å; L392-I396 HydrophobicContact CG-CD1 3.83Å; L392-I396 HydrophobicContact CG-CG1 4.35Å; L392-I396 WeakPolarHBondContact O-CG1 3.37Å; L392-I396 PolarHBondContact O-N 3.16Å; I396-S398 PolarHBondContact O-N 3.45Å; I396-H400 HydrophobicContact CG2-CB 4.32Å; I396-H400 CarbonylContact O-C 3.26Å; I396-H400 VanDerWaalsContact O-CA 3.26Å; I396-H400 WeakPolarHBondContact O-CA 3.34Å; I396-H400 WeakPolarHBondContact O-CB 3.27Å; I396-H400 PolarHBondContact O-N 3.13Å; I396-S401 PolarHBondContact O-N 3.33Å
397	K	84	Confident	73.7	Confident	174 Å²	174	88.3 Å²	88.3	76%	0.757	47%	0.467	S	S	*	.	H	α-helix	trans	-64.8	-21.2	-178.6	-169.7	167.8	-178	175.2	0	114.5	Q393 Y394	Q393-K397 VanDerWaalsContact O-CB 3.29Å; Q393-K397 WeakPolarHBondContact O-CB 3.44Å; Q393-K397 PolarHBondContact O-N 2.68Å; Y394-K397 PolarHBondContact O-N 3.24Å
398	S	84.3	Confident	72.6	Confident	47 Å²	47	89.3 Å²	89.3	33%	0.329	47%	0.469	S	S	.	.	H	α-helix	trans	-107.5	-22.9	-178.1	58.6	0	0	0	0	115.3	Y394 H395 I396	Y394-S398 VanDerWaalsContact O-CB 3.32Å; Y394-S398 WeakPolarHBondContact O-CB 3.28Å; Y394-S398 PolarHBondContact O-N 3.2Å; Y394-S398 PolarHBondContact O-OG 2.98Å; H395-S398 PolarHBondContact O-N 3.15Å; H395-S398 PolarHBondContact O-OG 2.98Å; I396-S398 PolarHBondContact O-N 3.45Å
399	R	79.6	Confident	71.6	Confident	191 Å²	191	85.2 Å²	85.2	72%	0.721	45%	0.453	S	S	*	.	H	α-helix	trans	-119.5	-12.3	-178.7	-59.4	-59.1	-178	95.1	-6.1	114.2	H395	H395-R399 WeakPolarHBondContact O-CB 3.49Å; H395-R399 PolarHBondContact O-N 3.29Å
400	H	76.8	Confident	70.6	Confident	29 Å²	29	85.1 Å²	85.1	13%	0.134	46%	0.463	C	S	.	.	S	Bend	trans	-128.1	29.3	176.3	-61.9	-65.7	0	0	0	111	L381 H395 I396 G402 C403	L381-H400 VanDerWaalsContact CB-CE1 3.45Å; L381-H400 WeakPolarHBondContact CB-CE1 3.26Å; L381-H400 HydrophobicContact CD1-CB 3.69Å; H395-H400 AromaticContact NE2-CD2 3.61Å; H395-H400 AromaticContact NE2-NE2 3.48Å; H395-H400 PolarHBondContact NE2-NE2 2.79Å; I396-H400 HydrophobicContact CG2-CB 4.32Å; I396-H400 CarbonylContact O-C 3.26Å; I396-H400 VanDerWaalsContact O-CA 3.26Å; I396-H400 WeakPolarHBondContact O-CA 3.34Å; I396-H400 WeakPolarHBondContact O-CB 3.27Å; I396-H400 PolarHBondContact O-N 3.13Å; H400-G402 PolarHBondContact O-N 3.13Å; H400-C403 HydrophobicContact CB-CB 4.16Å; H400-C403 PolarHBondContact O-N 3.16Å
401	S	71.3	Confident	69.2	Low	100 Å²	100	89.6 Å²	89.6	70%	0.699	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.9	-179.7	47	0	0	0	0	114.3	I396	I396-S401 PolarHBondContact O-N 3.33Å
402	G	66	Low	67.9	Low	75 Å²	75	87.8 Å²	87.8	77%	0.773	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.8	173.2	0	0	0	0	0	114.7	H400 N404	H400-G402 PolarHBondContact O-N 3.13Å; G402-N404 PolarHBondContact O-N 2.94Å
403	C	65.2	Low	66	Low	62 Å²	62	97 Å²	97	42%	0.419	51%	0.505	S	S	.	.			trans	-89.6	76.9	177.4	-59.4	0	0	0	0	109.2	L381 H400 V405	L381-C403 HydrophobicContact CD1-CB 3.74Å; H400-C403 HydrophobicContact CB-CB 4.16Å; H400-C403 PolarHBondContact O-N 3.16Å; C403-V405 VanDerWaalsContact C-N 3.33Å; C403-V405 PolarHBondContact O-N 3.23Å
404	N	53.1	Low	64.5	Low	141 Å²	141	96 Å²	96	75%	0.754	50%	0.503	S	S	*	.			trans	-69.2	92.3	177.3	-167.5	-13.1	0	0	0	110.5	G402	G402-N404 PolarHBondContact O-N 2.94Å
405	V	52.8	Low	62.6	Low	83 Å²	83	98.3 Å²	98.3	50%	0.503	51%	0.511	S	S	.	.			trans	-130.5	117.2	167.5	-163.4	0	0	0	0	106.7	C403 L407	C403-V405 VanDerWaalsContact C-N 3.33Å; C403-V405 PolarHBondContact O-N 3.23Å; V405-L407 HydrophobicContact CB-CD1 3.93Å; V405-L407 HydrophobicContact CB-CG 4.24Å; V405-L407 HydrophobicContact CG1-CD1 3.71Å; V405-L407 HydrophobicContact CG1-CG 3.69Å; V405-L407 PolarHBondContact O-N 3.2Å
406	D	51.8	Low	60.5	Low	158 Å²	158	103.4 Å²	103.4	85%	0.845	54%	0.543	S	S	*	.			trans	-71.3	60.4	169.8	-78.7	-54.1	0	0	0	111	D408	D406-D408 VanDerWaalsContact C-N 3.26Å; D406-D408 PolarHBondContact O-N 3.35Å
407	L	56.8	Low	58.3	Low	77 Å²	77	110.8 Å²	110.8	40%	0.403	57%	0.574	S	S	.	*			trans	-70.5	86.7	169.9	-89.1	155.6	0	0	0	108.3	P380 V405 V409	P380-L407 HydrophobicContact CB-CD1 4.17Å; P380-L407 HydrophobicContact CG-CD1 3.71Å; V405-L407 HydrophobicContact CB-CD1 3.93Å; V405-L407 HydrophobicContact CB-CG 4.24Å; V405-L407 HydrophobicContact CG1-CD1 3.71Å; V405-L407 HydrophobicContact CG1-CG 3.69Å; V405-L407 PolarHBondContact O-N 3.2Å; L407-V409 WeakPolarHBondContact O-CG2 3.47Å; L407-V409 PolarHBondContact O-N 2.97Å
408	D	53.4	Low	55.8	Low	65 Å²	65	111.1 Å²	111.1	35%	0.348	58%	0.575	S	S	.	*			trans	-43.1	103.7	166.1	165.4	23	0	0	0	109.5	D406 S410 K411	D406-D408 VanDerWaalsContact C-N 3.26Å; D406-D408 PolarHBondContact O-N 3.35Å; D408-S410 PolarHBondContact O-N 3.42Å; D408-S410 WeakPolarHBondContact OD1-CB 3.43Å; D408-S410 PolarHBondContact OD1-N 3.05Å; D408-S410 PolarHBondContact OD1-OG 2.82Å; D408-K411 HydrophobicContact CB-CD 4.22Å; D408-K411 PolarHBondContact O-N 2.91Å; D408-K411 WeakPolarHBondContact OD2-CD 3.37Å; D408-K411 WeakPolarHBondContact OD2-CE 3.42Å; D408-K411 WeakPolarHBondContact OD2-CG 3.29Å; D408-K411 IonicContact OD2-NZ 3.91Å; D408-K411 PolarHBondContact OD2-NZ 3.06Å; D408-K411 VanDerWaalsContact OD2-NZ 3.11Å
409	V	54.4	Low	53.5	Low	21 Å²	21	114.6 Å²	114.6	13%	0.127	60%	0.596	C	S	.	*	G	3₁₀ helix	trans	-64.5	-10.9	-171.7	-173	0	0	0	0	111.3	K389 L392 L407 K411 V412	K389-V409 HydrophobicContact CD-CB 4.4Å; K389-V409 HydrophobicContact CD-CG1 4.15Å; K389-V409 HydrophobicContact CG-CB 4.49Å; K389-V409 HydrophobicContact CG-CG1 3.88Å; L392-V409 HydrophobicContact CD2-CG1 4.05Å; L407-V409 WeakPolarHBondContact O-CG2 3.47Å; L407-V409 PolarHBondContact O-N 2.97Å; V409-K411 VanDerWaalsContact C-N 3.28Å; V409-V412 HydrophobicContact CG1-CG2 4.23Å
410	S	58.1	Low	51.1	Low	84 Å²	84	108.7 Å²	108.7	59%	0.587	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-73.8	-17.1	173.5	-33.3	0	0	0	0	112.8	K389 D408	K389-S410 PolarHBondContact NZ-OG 3.46Å; K389-S410 VanDerWaalsContact NZ-OG 3.08Å; D408-S410 PolarHBondContact O-N 3.42Å; D408-S410 WeakPolarHBondContact OD1-CB 3.43Å; D408-S410 PolarHBondContact OD1-N 3.05Å; D408-S410 PolarHBondContact OD1-OG 2.82Å
411	K	50.5	Low	49.7	Very low	168 Å²	168	112.8 Å²	112.8	73%	0.73	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-95.1	-0.3	175.7	-67.5	165.1	-174.6	147.6	0	113.7	D408 V409 K413	D408-K411 HydrophobicContact CB-CD 4.22Å; D408-K411 PolarHBondContact O-N 2.91Å; D408-K411 WeakPolarHBondContact OD2-CD 3.37Å; D408-K411 WeakPolarHBondContact OD2-CE 3.42Å; D408-K411 WeakPolarHBondContact OD2-CG 3.29Å; D408-K411 IonicContact OD2-NZ 3.91Å; D408-K411 PolarHBondContact OD2-NZ 3.06Å; D408-K411 VanDerWaalsContact OD2-NZ 3.11Å; V409-K411 VanDerWaalsContact C-N 3.28Å; K411-K413 PolarHBondContact O-N 3.11Å; K411-K413 VanDerWaalsContact O-N 3.15Å
412	V	54.2	Low	48	Very low	29 Å²	29	116 Å²	116	18%	0.176	63%	0.634	C	S	.	*	S	Bend	trans	-65.7	113.6	176.3	174.7	0	0	0	0	109.7	L378 L392 V409 L414	L378-V412 WeakPolarHBondContact O-CG1 3.24Å; L392-V412 HydrophobicContact CD2-CG2 4.45Å; V409-V412 HydrophobicContact CG1-CG2 4.23Å; V412-L414 PolarHBondContact O-N 3.27Å
413	K	43.4	Very low	46.4	Very low	193 Å²	193	115.9 Å²	115.9	84%	0.839	63%	0.632	S	S	*	*			trans	-71.2	98	-164.5	-166.8	168.8	-173.8	169.8	0	112.7	K411 R415	K411-K413 PolarHBondContact O-N 3.11Å; K411-K413 VanDerWaalsContact O-N 3.15Å; K413-R415 PolarHBondContact O-N 3.3Å
414	L	48.3	Very low	45.7	Very low	87 Å²	87	118.2 Å²	118.2	46%	0.455	65%	0.647	S	S	.	*			trans	-53	109.4	174	-64.3	178.1	0	0	0	111.2	Q376 V412 V416	Q376-L414 HydrophobicContact CB-CD2 3.7Å; Q376-L414 HydrophobicContact CG-CD2 3.9Å; V412-L414 PolarHBondContact O-N 3.27Å; L414-V416 PolarHBondContact O-N 2.96Å
415	R	44.7	Very low	44.6	Very low	224 Å²	224	118.6 Å²	118.6	85%	0.845	65%	0.649	S	S	*	*			trans	-84.2	79.6	179.4	-164.6	171.8	-168	155.7	3.6	111.1	K413 K417	K413-R415 PolarHBondContact O-N 3.3Å; R415-K417 PolarHBondContact O-N 3.31Å
416	V	38.8	Very low	43.4	Very low	127 Å²	127	121.2 Å²	121.2	77%	0.77	66%	0.66	S	S	*	*			trans	-60.5	104.7	168.5	-179.3	0	0	0	0	108.9	L414 K418	L414-V416 PolarHBondContact O-N 2.96Å; V416-K418 VanDerWaalsContact C-N 3.32Å; V416-K418 PolarHBondContact O-N 2.91Å
417	K	37.7	Very low	42.5	Very low	192 Å²	192	121.2 Å²	121.2	84%	0.835	65%	0.653	S	S	*	*			trans	-73.7	87.6	172.3	-177.6	83.3	175.7	-171.3	0	108	R415 P419	R415-K417 PolarHBondContact O-N 3.31Å; K417-P419 WeakPolarHBondContact O-CD 3.45Å
418	K	29.8	Very low	41.3	Very low	181 Å²	181	123.1 Å²	123.1	79%	0.787	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58	120.6	171.8	-172.5	179.8	-177.7	-176.1	0	108.7	V416	V416-K418 VanDerWaalsContact C-N 3.32Å; V416-K418 PolarHBondContact O-N 2.91Å
419	P	36.3	Very low	40.2	Very low	119 Å²	119	126.7 Å²	126.7	77%	0.773	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.2	169.4	28.6	-32.1	0	0	0	108.9	K417	K417-P419 WeakPolarHBondContact O-CD 3.45Å
420	G	30.2	Very low	39.2	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-99.2	153.5	166.8	0	0	0	0	0	109.9
421	P	46.3	Very low	37.7	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-80	146.6	-179.8	33.1	-34.6	0	0	0	112.8
422	D	36.6	Very low	36.6	Very low	168 Å²	168	134 Å²	134	90%	0.898	73%	0.73	S	S	*	*			trans	43.3	128.2	143.2	-48.8	-43.9	0	0	0	121.6
423	G	31	Very low	35.4	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	76%	0.762	S	S	*	*			trans	161.7	99.6	172.3	0	0	0	0	0	111.5
424	P	50.6	Low	34.7	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	76%	0.758	S	S	*	*			trans	-97.8	-172.8	-173.3	37.9	-34.5	0	0	0	114.7
425	D	30.4	Very low	33.9	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	77%	0.774	S	S	*	*			trans	104.1	150.3	155.1	-54.8	-32.2	0	0	0	121.2
426	D	28.7	Very low	33	Very low	138 Å²	138	133 Å²	133	74%	0.738	77%	0.768	S	S	*	*			trans	45.3	81.3	178.8	-79.9	-74.2	0	0	0	123.7
427	K	32.1	Very low	32.3	Very low	159 Å²	159	134 Å²	134	69%	0.691	77%	0.769	S	S	*	*				38.9	113.1	99.7	-174.3	-162.3	176.2	-167.7	0	119.1
428	S	31.6	Very low	32.1	Very low	116 Å²	116	130 Å²	130	81%	0.811	77%	0.765	S	S	*	*			trans	169.5	157.8	131.3	41.2	0	0	0	0	111
429	E	30.8	Very low	32.9	Very low	140 Å²	140	127 Å²	127	65%	0.654	77%	0.765	S	S	*	*			cis	-159	157.5	-44.5	-144.7	179.6	-141.2	0	0	108
430	L	32	Very low	32.4	Very low	139 Å²	139	125.5 Å²	125.5	73%	0.728	76%	0.762	S	S	*	*			trans	64	157	164.2	-60	168.3	0	0	0	117.3
431	K	26.8	Very low	32.3	Very low	193 Å²	193	130.6 Å²	130.6	84%	0.839	77%	0.77	S	S	*	*			cis	-151.7	162.4	-38.6	-148.3	-179.5	-166.6	173.4	0	107.7
432	A	28.6	Very low	31.7	Very low	96 Å²	96	134.1 Å²	134.1	79%	0.793	78%	0.776	S	S	*	*			trans	-78.1	146.1	175.6	0	0	0	0	0	112.8
433	A	28.1	Very low	31.4	Very low	101 Å²	101	133.4 Å²	133.4	84%	0.835	77%	0.772	S	S	*	*			trans	-146.4	140.5	149.5	0	0	0	0	0	108.4
434	T	28.8	Very low	31.3	Very low	126 Å²	126	137 Å²	137	77%	0.773	78%	0.775	S	S	*	*			trans	-133.7	160	175.4	46.2	0	0	0	0	108.7
435	L	31.4	Very low	30.3	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	77%	0.774	S	S	*	*			trans	98.2	123.1	164	-54.9	-172.2	0	0	0	118
436	D	25.2	Very low	30.3	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	77%	0.771	S	S	*	*				92.8	135.3	129.3	-63.9	-172.3	0	0	0	124
437	D	24.7	Very low	30.5	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	77%	0.767	S	S	*	*			trans	53	104.8	153	-75.9	-152.1	0	0	0	123.3
438	S	34.5	Very low	30.6	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	77%	0.77	S	S	*	*			trans	-55.1	156.1	130.9	-32.4	0	0	0	0	110.6
439	P	47	Very low	30.5	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	77%	0.768	S	S	*	*				-153.9	150	77.4	39.2	-20.4	0	0	0	117.7
440	A	25	Very low	30.3	Very low	87 Å²	87	136.7 Å²	136.7	72%	0.719	77%	0.773	S	S	*	*			trans	179	129.3	145.8	0	0	0	0	0	106.1
441	M	28.7	Very low	30.2	Very low	174 Å²	174	134.9 Å²	134.9	86%	0.857	77%	0.771	S	S	*	*			cis	86.4	83.7	24.8	102.7	-164.2	-171.4	0	0	114.4
442	E	32.7	Very low	30.7	Very low	189 Å²	189	131.4 Å²	131.4	88%	0.883	77%	0.772	S	S	*	*			trans	-156.7	133.3	144.3	46.5	-154.7	141.2	0	0	108.8
443	D	30.4	Very low	31.3	Very low	152 Å²	152	132 Å²	132	81%	0.813	77%	0.767	S	S	*	*			trans	-79.5	158.7	174.1	-56	-98.6	0	0	0	109.9
444	D	28.2	Very low	31.2	Very low	149 Å²	149	134.1 Å²	134.1	80%	0.797	76%	0.763	S	S	*	*				-176.9	167.7	111.1	-117.8	-67.1	0	0	0	113
445	V	31.1	Very low	31.1	Very low	117 Å²	117	135.5 Å²	135.5	71%	0.709	77%	0.766	S	S	*	*			trans	-77.6	177.1	-177.2	-66.3	0	0	0	0	112.3
446	D	29.6	Very low	30.9	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	77%	0.768	S	S	*	*			cis	-166.5	175.1	24.7	-150.3	-177.3	0	0	0	114.3
447	V	32.9	Very low	31	Very low	108 Å²	108	135.4 Å²	135.4	66%	0.655	78%	0.775	S	S	*	*			trans	74.4	112.1	143.9	153	0	0	0	0	122.1
448	E	33.6	Very low	31.4	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.743	78%	0.779	S	S	*	*			trans	65.6	107.4	131.4	-51.1	-53.2	77.8	0	0	125.2
449	D	30.2	Very low	31.3	Very low	146 Å²	146	142.7 Å²	142.7	78%	0.781	79%	0.786	S	S	*	*				84	159.3	101	-155.4	-135.5	0	0	0	123.7
450	D	26.4	Very low	30.5	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	78%	0.78	S	S	*	*			trans	80.8	156.6	162.9	-138.5	-7.6	0	0	0	119.2
451	S	31.5	Very low	30.7	Very low	100 Å²	100	143 Å²	143	70%	0.699	79%	0.785	S	S	*	*			trans	-110.2	159.3	-148.9	-70.5	0	0	0	0	114
452	S	36.2	Very low	30.8	Very low	121 Å²	121	140.2 Å²	140.2	85%	0.846	78%	0.783	S	S	*	*			trans	-45.7	141.3	168.2	-61.3	0	0	0	0	112.7
453	P	41	Very low	30.5	Very low	107 Å²	107	134.3 Å²	134.3	70%	0.695	77%	0.773	S	S	*	*				-149.1	143.3	101.9	33.5	-15.9	0	0	0	117.5
454	I	26.5	Very low	31.4	Very low	146 Å²	146	133.1 Å²	133.1	75%	0.749	77%	0.774	S	S	*	*			trans	52.3	111.3	139.2	-49.4	162.4	0	0	0	118.2
455	N	27.2	Very low	31.5	Very low	156 Å²	156	132 Å²	132	83%	0.834	77%	0.773	S	S	*	*				-168.9	160.9	112	-110.1	-67	0	0	0	116
456	L	26.9	Very low	31.5	Very low	156 Å²	156	133.4 Å²	133.4	82%	0.817	77%	0.774	S	S	*	*			trans	-95.2	141.2	169.7	-69	149.3	0	0	0	110
457	S	27.9	Very low	31.5	Very low	125 Å²	125	135.4 Å²	135.4	87%	0.874	78%	0.777	S	S	*	*			trans	178.3	148.4	133.3	-85.9	0	0	0	0	113.7
458	I	33	Very low	32	Very low	173 Å²	173	135.5 Å²	135.5	89%	0.887	78%	0.779	S	S	*	*			trans	-121.3	132.7	172.6	-63.6	170.6	0	0	0	108.9
459	R	31.6	Very low	32.6	Very low	236 Å²	236	132.9 Å²	132.9	89%	0.891	78%	0.776	S	S	*	*			trans	-158	152.7	167	-93.6	-160.5	157.3	175.8	-7.7	110
460	S	30.8	Very low	32.6	Very low	94 Å²	94	133.3 Å²	133.3	66%	0.657	77%	0.773	S	S	*	*			cis	-179.6	136.5	-20.7	47.5	0	0	0	0	112
461	S	28.1	Very low	32.5	Very low	119 Å²	119	133 Å²	133	83%	0.832	77%	0.771	S	S	*	*			trans	173.5	151.3	153	49.3	0	0	0	0	109.9
462	S	31.6	Very low	32.3	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	77%	0.77	S	S	*	*			cis	-163.6	152.3	-28.1	44.1	0	0	0	0	108.1
463	G	26.7	Very low	31.8	Very low	65 Å²	65	135.8 Å²	135.8	67%	0.67	77%	0.77	S	S	*	*			trans	-75.3	-156.6	-174.4	0	0	0	0	0	115.6
464	P	48.2	Very low	31.4	Very low	127 Å²	127	138.2 Å²	138.2	83%	0.825	78%	0.775	S	S	*	*			cis	-80	-139.2	23.5	-19.9	38.8	0	0	0	117
465	T	30.1	Very low	32.6	Very low	126 Å²	126	136.2 Å²	136.2	77%	0.773	77%	0.772	S	S	*	*			cis	-150.5	-136.8	17.7	-34.8	0	0	0	0	113.2
466	I	31.4	Very low	32.5	Very low	145 Å²	145	136 Å²	136	74%	0.744	77%	0.771	S	S	*	*			trans	-136.9	129.3	-163.3	-79.3	171.4	0	0	0	107.8
467	K	30.6	Very low	32.6	Very low	180 Å²	180	137.4 Å²	137.4	78%	0.783	77%	0.771	S	S	*	*			cis	90	153.4	48.1	-88.3	-170.1	176.5	-177.9	0	112.8
468	P	41.7	Very low	32.6	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	76%	0.763	S	S	*	*			cis	-134.1	-130.2	-26.2	33.3	-8.1	0	0	0	113.2
469	P	47.3	Very low	32.3	Very low	103 Å²	103	132 Å²	132	67%	0.669	76%	0.759	S	S	*	*				-145.9	-170.7	-99.7	48.5	-30.1	0	0	0	119.2
470	Q	28.8	Very low	32.2	Very low	156 Å²	156	129.1 Å²	129.1	73%	0.729	75%	0.753	S	S	*	*			trans	93.4	139	141.3	-74.5	-55.6	20	0	0	124.3
471	L	25.9	Very low	32	Very low	133 Å²	133	132.3 Å²	132.3	70%	0.696	76%	0.755	S	S	*	*			trans	59	108.1	138.5	-74.5	163.6	0	0	0	123.6
472	S	26.8	Very low	31.9	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	75%	0.753	S	S	*	*				84.2	149.9	107.6	75.5	0	0	0	0	124.4
473	E	25.4	Very low	31.5	Very low	184 Å²	184	138 Å²	138	86%	0.86	75%	0.752	S	S	*	*			trans	88.4	167.8	154.1	-51.8	-128.5	128.7	0	0	119.7
474	I	33.1	Very low	31.3	Very low	157 Å²	157	138.5 Å²	138.5	81%	0.805	75%	0.745	S	S	*	*			trans	-143.4	160.9	-156.4	-59.5	160.9	0	0	0	105.7
475	P	52	Low	30.3	Very low	105 Å²	105	140.3 Å²	140.3	68%	0.682	75%	0.746	S	S	*	*			cis	-113.7	-156.4	-17.5	34.7	-15.5	0	0	0	110.4
476	D	23.8	Very low	30.1	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	74%	0.74	S	S	*	*				-174.6	-169.8	97.1	-136.9	-46.4	0	0	0	112.8
477	K	29.5	Very low	29.9	Very low	187 Å²	187	138.4 Å²	138.4	81%	0.813	74%	0.735	S	S	*	*			trans	-127.2	163.8	-153.3	-155.2	175.6	-171.5	174.4	0	113
478	A	28	Very low	29.8	Very low	86 Å²	86	137 Å²	137	71%	0.711	73%	0.729	S	S	*	*			trans	77.1	109.7	154.3	0	0	0	0	0	121.4
479	A	27.3	Very low	28.9	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	74%	0.735	S	S	*	*			trans	66.3	154.1	131.8	0	0	0	0	0	118.9
480	K	28.5	Very low	27.9	Very low	176 Å²	176	146.3 Å²	146.3	77%	0.765	74%	0.744	S	S	*	*				177.5	136.7	58.5	-171.2	168.2	-175.8	170.6	0	113.1
481	K	26.6	Very low	28.3	Very low	162 Å²	162	144.2 Å²	144.2	70%	0.704	74%	0.744	S	S	*	*			trans	72.1	150.8	151.7	-90.2	-174.1	176.6	-175	0	122.2
482	R	25.7	Very low	28.4	Very low	208 Å²	208	143.9 Å²	143.9	79%	0.785	75%	0.748	S	S	*	*			trans	76.1	124	156.1	-74	166.8	174.3	167.6	-4.7	115.8
483	N	23.6	Very low	28.2	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	76%	0.757	S	S	*	*				78.6	142.2	56.8	-83.1	71.8	0	0	0	112.7
484	S	23.6	Very low	28.3	Very low	75 Å²	75	143.7 Å²	143.7	52%	0.524	75%	0.747	S	S	.	*			cis	176	147.9	-18.7	47.9	0	0	0	0	108.6
485	L	25.9	Very low	28	Very low	165 Å²	165	144.7 Å²	144.7	86%	0.864	75%	0.745	S	S	*	*			trans	63.8	167.8	161.4	-63.8	161.8	0	0	0	113.9
486	S	25.7	Very low	26.6	Very low	90 Å²	90	146.4 Å²	146.4	63%	0.629	74%	0.744	S	S	*	*			cis	-164.3	154.9	-29.9	47	0	0	0	0	106.7
487	E	27.3	Very low	26.9	Very low	140 Å²	140	143.4 Å²	143.4	65%	0.654	74%	0.74	S	S	*	*				164.9	131.4	101.4	-81.4	-116.1	91.8	0	0	105.5
488	K	28.3	Very low	26.8	Very low	150 Å²	150	141.4 Å²	141.4	65%	0.652	73%	0.734	S	S	*	*				87	120.7	75	-164.9	-151.2	-92.3	142.3	0	111.6
489	E	24.6	Very low	26.8	Very low	178 Å²	178	144.8 Å²	144.8	83%	0.832	73%	0.732	S	S	*	*				173.5	166.2	117.9	-85.9	-145.3	120.9	0	0	114.4
490	R	25.3	Very low	26.8	Very low	231 Å²	231	149 Å²	149	87%	0.872	73%	0.732	S	S	*	*			trans	-119.2	170.4	175.3	-89.6	-177	174.9	-167.4	0.1	105.8
491	P	37.5	Very low	26.6	Very low	112 Å²	112	146.4 Å²	146.4	73%	0.727	73%	0.731	S	S	*	*				-167.6	161.7	55.7	45.7	-21.6	0	0	0	122.8
492	V	28.3	Very low	26.6	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	73%	0.73	S	S	*	*			trans	79.5	150.7	130.8	159.3	0	0	0	0	123.9
493	K	22.9	Very low	26.5	Very low	197 Å²	197	139.7 Å²	139.7	86%	0.857	73%	0.731	S	S	*	*			trans	86	146.4	164.5	-87.8	164.5	-180	178.6	0	119.7
494	A	27.7	Very low	26.9	Very low	78 Å²	78	143.7 Å²	143.7	65%	0.645	74%	0.735	S	S	*	*			cis	-178.6	147	-38.7	0	0	0	0	0	112.6
495	K	26.2	Very low	27.3	Very low	177 Å²	177	148.3 Å²	148.3	77%	0.77	75%	0.749	S	S	*	*			trans	63.6	162.1	153	-74.9	164.5	144.1	-106.4	0	117.5
496	E	23.2	Very low	27.8	Very low	142 Å²	142	148.5 Å²	148.5	66%	0.664	74%	0.742	S	S	*	*			cis	-149.4	152.6	-3.5	-122.1	159.1	107.2	0	0	109.3
497	A	28.1	Very low	27.7	Very low	86 Å²	86	153.5 Å²	153.5	71%	0.711	75%	0.753	S	S	*	*				55.5	147.1	98.5	0	0	0	0	0	117.1
498	E	27.9	Very low	27.7	Very low	146 Å²	146	152.2 Å²	152.2	68%	0.682	75%	0.754	S	S	*	*			cis	-164.9	157.5	1.4	-132.3	-166.6	179.9	0	0	114.6
499	K	29.6	Very low	27.7	Very low	156 Å²	156	152.3 Å²	152.3	68%	0.678	76%	0.755	S	S	*	*			trans	50.6	153.4	142.3	-83.9	174.9	-168.1	146.7	0	126.7
500	K	26.1	Very low	27.8	Very low	185 Å²	185	150.1 Å²	150.1	80%	0.804	74%	0.744	S	S	*	*			trans	86.9	98.8	146.9	-78.2	165.4	179.6	179.9	0	124.5
501	V	24.1	Very low	27.6	Very low	122 Å²	122	146 Å²	146	74%	0.739	74%	0.739	S	S	*	*				45.2	124.2	103	179.7	0	0	0	0	122.9
502	S	26.5	Very low	27.8	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	74%	0.737	S	S	*	*			trans	73.2	121.3	144.3	-165.6	0	0	0	0	124.5
503	T	24.6	Very low	27.8	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	73%	0.73	S	S	*	*				164.4	136.7	124.3	35.2	0	0	0	0	108.4
504	R	31.4	Very low	27.9	Very low	230 Å²	230	139.9 Å²	139.9	87%	0.868	71%	0.712	S	S	*	*			cis	91.5	102.4	31.2	-167.2	-172.3	-173.3	-163.3	4	114.9
505	Q	32.2	Very low	27.8	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	72%	0.721	S	S	*	*			trans	164.6	159.5	141.9	-92.5	-172.6	88.1	0	0	110.5
506	K	35.4	Very low	27.7	Very low	168 Å²	168	142.9 Å²	142.9	73%	0.73	71%	0.713	S	S	*	*			cis	-178.7	122.9	-24.7	168	-176.1	175.8	-176.2	0	111.9
507	K	25.5	Very low	27.9	Very low	195 Å²	195	143.5 Å²	143.5	85%	0.848	72%	0.721	S	S	*	*			trans	178.5	131.3	147.5	-99.5	175.3	174.9	179.3	0	108.3
508	V	27	Very low	27.9	Very low	114 Å²	114	143 Å²	143	69%	0.691	73%	0.725	S	S	*	*				85.2	127.4	55.6	164.4	0	0	0	0	111.1
509	K	27.9	Very low	27.7	Very low	152 Å²	152	145.4 Å²	145.4	66%	0.661	73%	0.733	S	S	*	*			cis	-160.5	157.2	5.9	-131.5	-178.9	173.2	-134	0	113.5
510	E	26.5	Very low	27.4	Very low	131 Å²	131	144.9 Å²	144.9	61%	0.612	73%	0.733	S	S	*	*			trans	54.3	115.8	141.1	-85.1	157.8	-159.3	0	0	125.7
511	N	21.7	Very low	27.4	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	73%	0.725	S	S	*	*				63.5	160.1	114.3	-78.4	-0.4	0	0	0	123.6
512	P	40.4	Very low	27.4	Very low	105 Å²	105	143.1 Å²	143.1	68%	0.682	73%	0.726	S	S	*	*			cis	-146.8	-177	-23.3	37.8	-17.2	0	0	0	117.7
513	V	28.4	Very low	27.4	Very low	103 Å²	103	144.4 Å²	144.4	62%	0.624	73%	0.73	S	S	*	*			trans	91.7	112.4	136.6	146.4	0	0	0	0	123.6
514	E	25.3	Very low	27.4	Very low	101 Å²	101	142.5 Å²	142.5	47%	0.472	73%	0.728	S	S	.	*			trans	74.2	144.3	137.3	-67.9	-172.7	145.7	0	0	127	F2 S3	F2-E514 VanDerWaalsContact CA-OE2 3.26Å; F2-E514 WeakPolarHBondContact CA-OE2 3.42Å; F2-E514 PolarHBondContact N-OE2 2.88Å; S3-E514 WeakPolarHBondContact CA-OE1 3.37Å; S3-E514 WeakPolarHBondContact CA-OE2 3.47Å; S3-E514 WeakPolarHBondContact CB-OE1 3.4Å; S3-E514 WeakPolarHBondContact CB-OE2 3.31Å; S3-E514 PolarHBondContact N-OE2 3.42Å; S3-E514 PolarHBondContact OG-OE1 3.48Å
515	N	26.1	Very low	27.2	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	73%	0.729	S	S	*	*			trans	-83.5	169.7	158.9	-56.6	-40.3	0	0	0	111.8
516	R	23.3	Very low	26.9	Very low	163 Å²	163	131.7 Å²	131.7	62%	0.615	72%	0.724	S	S	*	*			trans	-156.1	151.7	137.4	-139	172.9	177.2	173.1	-1.4	114	F2 S3 A4	F2-R516 PolarHBondContact O-NH1 3.13Å; S3-R516 PolarHBondContact O-NH1 2.93Å; S3-R516 PolarHBondContact O-NH2 2.77Å; A4-R516 PolarHBondContact O-NH2 3.24Å
517	D	28	Very low	26.5	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	73%	0.729	S	S	*	*			trans	-74.1	164.7	-177.9	-58.5	-99.3	0	0	0	114.3
518	G	27.5	Very low	26.7	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	72%	0.718	S	S	*	*			trans	-89.7	-170.1	-176.9	0	0	0	0	0	115.2
519	K	25.3	Very low	26.9	Very low	197 Å²	197	127.6 Å²	127.6	86%	0.857	72%	0.719	S	S	*	*			trans	-148.8	172.8	161	-132.6	-167.3	173.7	-169.6	0	113.2
520	E	23.3	Very low	26.9	Very low	144 Å²	144	125.6 Å²	125.6	67%	0.673	72%	0.72	S	S	*	*			trans	-85.9	171.3	-160	-51.1	153.7	80.1	0	0	115.7
521	V	24.7	Very low	26.9	Very low	107 Å²	107	127.5 Å²	127.5	65%	0.648	73%	0.726	S	S	*	*			trans	77.3	108.7	132.6	153.5	0	0	0	0	121
522	Q	25.3	Very low	27.2	Very low	163 Å²	163	125.2 Å²	125.2	76%	0.762	72%	0.717	S	S	*	*			trans	76.1	161.3	133.5	-65.3	-179	34.7	0	0	123.6
523	T	25.1	Very low	26.6	Very low	125 Å²	125	127.3 Å²	127.3	77%	0.767	72%	0.715	S	S	*	*			trans	67.5	89.2	156.4	39.2	0	0	0	0	121
524	A	25.1	Very low	26.6	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	72%	0.717	S	S	*	*				56.2	127	105.6	0	0	0	0	0	122.8
525	A	26.5	Very low	26.8	Very low	108 Å²	108	135.7 Å²	135.7	89%	0.893	73%	0.731	S	S	*	*			trans	73.3	155.1	141.2	0	0	0	0	0	120.7
526	G	27.5	Very low	26.7	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	73%	0.725	S	S	*	*			trans	97.1	102.2	-176.1	0	0	0	0	0	112.3
527	N	25.2	Very low	26.9	Very low	157 Å²	157	136.7 Å²	136.7	84%	0.84	74%	0.736	S	S	*	*			cis	55	120.3	29.4	-87.6	15.9	0	0	0	112.4
528	T	30.7	Very low	27	Very low	98 Å²	98	138.4 Å²	138.4	60%	0.601	74%	0.736	S	S	*	*			cis	-155.1	-169.6	1.1	39.7	0	0	0	0	109.1
529	D	30.7	Very low	27.1	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	74%	0.736	S	S	*	*			trans	73	151.1	143.8	-76.8	-51.6	0	0	0	119.4
530	V	28.4	Very low	27.2	Very low	110 Å²	110	137.5 Å²	137.5	67%	0.667	73%	0.734	S	S	*	*			cis	-150.4	137.7	-24.5	75.7	0	0	0	0	110.4
531	K	26.5	Very low	27.3	Very low	170 Å²	170	137.2 Å²	137.2	74%	0.739	74%	0.742	S	S	*	*			trans	5.8	129	132.9	179.1	-162.6	-155.6	168.1	0	115.3
532	V	27.6	Very low	27.2	Very low	96 Å²	96	135.4 Å²	135.4	58%	0.582	75%	0.745	S	S	*	*				-172.8	125.6	119.3	141.1	0	0	0	0	112.3
533	K	28.8	Very low	27.2	Very low	149 Å²	149	137.5 Å²	137.5	65%	0.648	75%	0.751	S	S	*	*			trans	22.4	146.4	132.7	-31.3	161.4	-173	164.8	0	116.7
534	R	28	Very low	27.7	Very low	175 Å²	175	137.4 Å²	137.4	66%	0.66	75%	0.753	S	S	*	*				-170.8	133.9	71	-118.6	133.8	173.2	173.1	-5.9	110.2
535	R	28.2	Very low	27.9	Very low	205 Å²	205	139.1 Å²	139.1	77%	0.774	75%	0.754	S	S	*	*				70.4	152.3	97.3	-80.6	-160.7	176.8	169.4	-7.4	115.1
536	V	25.2	Very low	27.8	Very low	114 Å²	114	139.1 Å²	139.1	69%	0.691	75%	0.747	S	S	*	*			cis	-177.6	155.7	-23.2	72.3	0	0	0	0	107.7
537	R	26.6	Very low	27.9	Very low	225 Å²	225	144.2 Å²	144.2	85%	0.849	75%	0.753	S	S	*	*			trans	-170.8	159.8	133.9	-113.6	165.9	172.9	168.5	-2.7	114.3
538	K	29.9	Very low	28	Very low	191 Å²	191	141.7 Å²	141.7	83%	0.83	74%	0.739	S	S	*	*			trans	69.3	72.5	158.8	-68.3	177.7	177.1	-174.3	0	119.4
539	V	30.2	Very low	27.9	Very low	128 Å²	128	145 Å²	145	78%	0.776	75%	0.748	S	S	*	*				-49.5	138.7	124.4	167.8	0	0	0	0	109.2	T541	V539-T541 HydrophobicContact CG1-CG2 4.5Å
540	P	28.1	Very low	27.6	Very low	126 Å²	126	143.4 Å²	143.4	82%	0.818	75%	0.747	S	S	*	*				-141	166.6	91.5	35.2	-16.7	0	0	0	117
541	T	24.8	Very low	27.5	Very low	138 Å²	138	147.8 Å²	147.8	85%	0.847	76%	0.76	S	S	*	*			trans	-109.2	142.9	-163.6	45.9	0	0	0	0	115.3	V539	V539-T541 HydrophobicContact CG1-CG2 4.5Å
542	G	23.2	Very low	27.5	Very low	68 Å²	68	147.4 Å²	147.4	70%	0.701	76%	0.761	S	S	*	*			trans	-164.3	144.1	156.9	0	0	0	0	0	107.9
543	K	24.5	Very low	28.4	Very low	207 Å²	207	148.4 Å²	148.4	90%	0.9	77%	0.77	S	S	*	*			cis	65.8	142.8	39	-72.9	-165.1	174.1	-171.3	0	114.4
544	P	37.1	Very low	28.4	Very low	124 Å²	124	144.4 Å²	144.4	81%	0.805	76%	0.764	S	S	*	*			cis	-136.5	-124.5	-31.8	39.7	-19.9	0	0	0	112.2
545	V	28.1	Very low	28.4	Very low	129 Å²	129	141 Å²	141	78%	0.782	77%	0.767	S	S	*	*			trans	-112.1	167.1	-167.7	-167.1	0	0	0	0	111.6
546	S	25.5	Very low	28.5	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	77%	0.773	S	S	*	*			trans	100.9	128.2	148.1	-53.2	0	0	0	0	119.5
547	Q	29.4	Very low	28.6	Very low	175 Å²	175	141.6 Å²	141.6	82%	0.818	77%	0.771	S	S	*	*			trans	-162.4	153.5	132.8	-102.6	-175.9	-68.6	0	0	108
548	D	25.7	Very low	28.9	Very low	104 Å²	104	138.6 Å²	138.6	56%	0.556	76%	0.764	S	S	*	*			cis	-143.1	148.7	15.8	-150.1	3.7	0	0	0	114.1
549	Q	29.7	Very low	29.2	Very low	169 Å²	169	138.1 Å²	138.1	79%	0.79	77%	0.765	S	S	*	*			trans	40.3	144.4	164.6	-74.6	158.4	79.5	0	0	121.5
550	S	23.6	Very low	30.1	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	76%	0.761	S	S	*	*			cis	-146.5	135.8	21.3	57.6	0	0	0	0	115.7
551	E	26.9	Very low	30.3	Very low	203 Å²	203	140.3 Å²	140.3	95%	0.949	77%	0.767	S	S	*	*			trans	63.2	157.9	149.2	-56.2	-159.1	131.8	0	0	123.2
552	E	25.5	Very low	30.3	Very low	161 Å²	161	137.2 Å²	137.2	75%	0.752	76%	0.763	S	S	*	*			trans	-131.6	156.3	-178.1	-125.4	-103.6	137.9	0	0	106.2	A554	E552-A554 VanDerWaalsContact CD-N 3.25Å; E552-A554 PolarHBondContact OE1-N 2.97Å; E552-A554 PolarHBondContact OE2-N 3.24Å
553	P	47.9	Very low	31.7	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	77%	0.77	S	S	*	*				-150.8	146.8	74.9	37.7	-17.5	0	0	0	119.1
554	A	27.9	Very low	32	Very low	64 Å²	64	134.4 Å²	134.4	53%	0.529	76%	0.761	S	S	.	*			trans	76.7	131	136.4	0	0	0	0	0	123.5	E552	E552-A554 VanDerWaalsContact CD-N 3.25Å; E552-A554 PolarHBondContact OE1-N 2.97Å; E552-A554 PolarHBondContact OE2-N 3.24Å
555	S	28.4	Very low	31.8	Very low	104 Å²	104	134 Å²	134	73%	0.727	76%	0.762	S	S	*	*			trans	82.4	104.8	140	50.8	0	0	0	0	123.8
556	Q	30.5	Very low	32	Very low	190 Å²	190	137.6 Å²	137.6	89%	0.888	76%	0.761	S	S	*	*				85.4	142.3	128.3	-65.4	-175.1	-3.9	0	0	123.5
557	E	26.6	Very low	32.1	Very low	142 Å²	142	139.1 Å²	139.1	66%	0.664	76%	0.756	S	S	*	*			trans	72.1	100	156.3	-59.9	-104.5	83.7	0	0	123.2
558	K	33.8	Very low	31.9	Very low	161 Å²	161	137.5 Å²	137.5	70%	0.7	75%	0.753	S	S	*	*				54.4	112.3	127.5	-61.9	173.3	-175.9	142.9	0	123.8
559	Q	35.2	Very low	32.1	Very low	182 Å²	182	140.3 Å²	140.3	85%	0.85	76%	0.763	S	S	*	*			trans	66.5	174	140.7	-60.4	-167.9	-0.2	0	0	118.6
560	P	50	Low	31.9	Very low	106 Å²	106	138 Å²	138	69%	0.688	77%	0.765	S	S	*	*			cis	-132.3	174.4	-22.5	20.1	4.6	0	0	0	116
561	M	32.9	Very low	32.1	Very low	193 Å²	193	140.4 Å²	140.4	95%	0.951	77%	0.77	S	S	*	*			trans	43.4	130.8	143.2	-60.8	-82.3	-80.5	0	0	123.4
562	G	24.1	Very low	32.7	Very low	74 Å²	74	135.9 Å²	135.9	76%	0.763	76%	0.759	S	S	*	*			trans	-177.8	158	161.8	0	0	0	0	0	117.1
563	P	51.5	Low	32.6	Very low	130 Å²	130	137.3 Å²	137.3	84%	0.844	76%	0.762	S	S	*	*			trans	-141.8	176.6	-148.6	43.8	-25.2	0	0	0	120.7
564	A	32.7	Very low	31.5	Very low	86 Å²	86	138 Å²	138	71%	0.711	77%	0.769	S	S	*	*			trans	91	147	140	0	0	0	0	0	125
565	S	31.2	Very low	31.3	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	78%	0.78	S	S	*	*			trans	74.4	159.9	154.7	83	0	0	0	0	118.8
566	R	32.3	Very low	31.1	Very low	203 Å²	203	141.2 Å²	141.2	77%	0.766	78%	0.778	S	S	*	*			cis	-159.5	170.3	-11.7	-134.3	178.4	160.9	162.7	-13.4	112.1
567	E	28.8	Very low	31.2	Very low	140 Å²	140	139.1 Å²	139.1	65%	0.654	77%	0.768	S	S	*	*			trans	5.6	138.5	157.6	-67.9	142.4	-165.2	0	0	121.6
568	D	25.4	Very low	31.4	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	77%	0.768	S	S	*	*				168.8	-162.3	93	-144.8	-19.3	0	0	0	114.5
569	Q	28.3	Very low	31.1	Very low	163 Å²	163	138 Å²	138	76%	0.762	77%	0.768	S	S	*	*			trans	-97.3	165.2	-154.3	-76.3	157	83.2	0	0	120
570	S	25.7	Very low	30.5	Very low	120 Å²	120	133.7 Å²	133.7	84%	0.839	76%	0.757	S	S	*	*			trans	95.3	141.6	139.7	69.5	0	0	0	0	123.4
571	D	28.1	Very low	29.3	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	76%	0.761	S	S	*	*			trans	-51.7	162.4	166.9	-84.3	-80.8	0	0	0	114.6
572	P	39.3	Very low	29	Very low	109 Å²	109	132.8 Å²	132.8	71%	0.708	74%	0.742	S	S	*	*			cis	-158.6	-176.4	47.3	44.8	-22.8	0	0	0	120.7
573	K	24.6	Very low	29.2	Very low	190 Å²	190	137.2 Å²	137.2	83%	0.826	74%	0.74	S	S	*	*			trans	63.6	97.7	148.5	-82.2	177.9	178.1	178.8	0	121.3
574	C	24.1	Very low	28	Very low	134 Å²	134	137.4 Å²	137.4	91%	0.905	73%	0.734	S	S	*	*				17.1	114.1	122.7	-171.7	0	0	0	0	120.7
575	S	23.4	Very low	27.8	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	74%	0.738	S	S	*	*			trans	-171.6	148.8	145.3	62.9	0	0	0	0	107.2
576	D	25.7	Very low	27.6	Very low	126 Å²	126	144.3 Å²	144.3	67%	0.674	74%	0.739	S	S	*	*			cis	-157.3	-171.9	-7.7	-144.6	-39.9	0	0	0	110.1
577	Q	30.9	Very low	27.2	Very low	145 Å²	145	141.2 Å²	141.2	68%	0.678	74%	0.743	S	S	*	*			trans	1	151.2	142.5	-78.2	162.1	81.7	0	0	120
578	Q	30.9	Very low	26.9	Very low	144 Å²	144	139.8 Å²	139.8	67%	0.673	75%	0.748	S	S	*	*			cis	-179	170.9	-16.8	-143.1	-176.9	-41	0	0	107.1
579	I	27.3	Very low	26.8	Very low	137 Å²	137	137.3 Å²	137.3	70%	0.703	74%	0.742	S	S	*	*			trans	67	145	153.2	-69.3	163.2	0	0	0	116.1
580	C	24.3	Very low	26.6	Very low	90 Å²	90	139.8 Å²	139.8	61%	0.608	75%	0.746	S	S	*	*			cis	-173.2	158.6	-28.6	-105.6	0	0	0	0	107.3
581	K	23.6	Very low	26.7	Very low	179 Å²	179	142 Å²	142	78%	0.778	74%	0.74	S	S	*	*			trans	67.4	159.9	153.3	-69.6	169.5	-175.4	177.8	0	115.3
582	D	27.4	Very low	26.5	Very low	102 Å²	102	142.4 Å²	142.4	55%	0.545	74%	0.737	S	S	.	*			cis	-157	161.5	-2.1	-124.8	-0.9	0	0	0	110.2
583	K	28.2	Very low	25.9	Very low	166 Å²	166	141.4 Å²	141.4	72%	0.722	73%	0.733	S	S	*	*			trans	68.6	163.1	155	-63.7	157	-175.8	108	0	118.8
584	D	25.7	Very low	26	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	73%	0.733	S	S	*	*			cis	179.7	158.5	-49.3	-111.2	-55.6	0	0	0	108.9
585	L	29.1	Very low	26.1	Very low	152 Å²	152	144.4 Å²	144.4	80%	0.796	73%	0.731	S	S	*	*			trans	67.3	152.3	176.2	-41.7	-177.1	0	0	0	115.1
586	K	25.5	Very low	26.4	Very low	194 Å²	194	143.4 Å²	143.4	84%	0.843	72%	0.723	S	S	*	*			cis	-146.5	162.9	5.3	-149	166.2	-176.4	173.6	0	111.6
587	V	23.9	Very low	26.6	Very low	138 Å²	138	143.2 Å²	143.2	84%	0.836	72%	0.722	S	S	*	*			trans	-111.1	133.2	-171.1	174.4	0	0	0	0	113.4
588	S	23.8	Very low	26.6	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	72%	0.724	S	S	*	*			trans	-168.3	109.2	151.8	53.3	0	0	0	0	108.9
589	S	23.6	Very low	26.6	Very low	87 Å²	87	139.5 Å²	139.5	61%	0.608	71%	0.714	S	S	*	*				73.5	104.2	73.8	-177.6	0	0	0	0	114.6
590	Y	24.5	Very low	26.7	Very low	216 Å²	216	137.7 Å²	137.7	85%	0.847	71%	0.709	S	S	*	*				-174	-172.4	112.7	-98	-65.6	0	0	0	112.1
591	K	26.5	Very low	27	Very low	166 Å²	166	140.8 Å²	140.8	72%	0.722	71%	0.708	S	S	*	*			trans	-92.1	155.7	-145.3	-76.6	166.5	160.3	-162.8	0	119.2
592	E	24.8	Very low	27.5	Very low	161 Å²	161	139 Å²	139	75%	0.752	70%	0.701	S	S	*	*			trans	83.7	144.1	135.7	-83.3	174.3	104.1	0	0	124.9
593	S	25.4	Very low	27.9	Very low	87 Å²	87	140.5 Å²	140.5	61%	0.608	72%	0.719	S	S	*	*			trans	81.8	91.1	150.8	-70.3	0	0	0	0	124.2
594	K	26.8	Very low	27.9	Very low	192 Å²	192	136 Å²	136	84%	0.835	72%	0.72	S	S	*	*				64.9	132.7	120.3	-67.6	167.4	-178.6	164.5	0	122.8
595	K	27.3	Very low	28.4	Very low	196 Å²	196	136 Å²	136	85%	0.852	73%	0.725	S	S	*	*			trans	73	121.9	151.3	-81.5	-166.8	170.7	-177.8	0	117.2
596	S	28.8	Very low	28.7	Very low	87 Å²	87	135.4 Å²	135.4	61%	0.608	72%	0.722	S	S	*	*				85.6	145.5	58.5	82	0	0	0	0	112.8
597	L	30.6	Very low	28.8	Very low	123 Å²	123	134.6 Å²	134.6	64%	0.644	72%	0.718	S	S	*	*				-171.8	160.2	55.8	-161.6	75.7	0	0	0	110.5	K599	L597-K599 HydrophobicContact CD2-CD 4.05Å
598	S	29.8	Very low	28.8	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	72%	0.716	S	S	*	*				119.6	165.7	110.8	75.1	0	0	0	0	113.4
599	K	32.2	Very low	29.6	Very low	108 Å²	108	134.2 Å²	134.2	47%	0.47	71%	0.714	S	S	.	*			cis	-172.6	167.4	-33.2	-102.4	160.4	158.7	-171.1	0	109.1	L597	L597-K599 HydrophobicContact CD2-CD 4.05Å
600	T	29.3	Very low	29.7	Very low	98 Å²	98	138.6 Å²	138.6	60%	0.601	73%	0.725	S	S	*	*			trans	146.5	151.2	154	40.9	0	0	0	0	110.1	A196	A196-T600 WeakPolarHBondContact CB-O 3.47Å
601	R	30.8	Very low	29.8	Very low	155 Å²	155	137.7 Å²	137.7	59%	0.585	73%	0.728	S	S	*	*			cis	-142.7	-162.2	-33.6	-148.8	166.5	-176.8	-150.7	-2	108.7	D193 A194 A195	D193-R601 IonicContact OD1-CZ 2.68Å; D193-R601 IonicContact OD1-NE 2.73Å; D193-R601 PolarHBondContact OD1-NE 3.44Å; D193-R601 IonicContact OD1-NH1 3.3Å; D193-R601 IonicContact OD1-NH2 2.81Å; D193-R601 PolarHBondContact OD1-NH2 2.99Å; D193-R601 IonicContact OD2-CZ 2.82Å; D193-R601 IonicContact OD2-NE 2.69Å; D193-R601 PolarHBondContact OD2-NE 2.93Å; D193-R601 VanDerWaalsContact OD2-NE 3.12Å; D193-R601 IonicContact OD2-NH1 3Å; D193-R601 PolarHBondContact OD2-NH1 2.83Å; D193-R601 IonicContact OD2-NH2 3.7Å; D193-R601 PolarHBondContact OD2-NH2 3.26Å; A194-R601 PolarHBondContact O-NE 3.01Å; A195-R601 WeakPolarHBondContact O-CA 2.91Å
602	K	33.1	Very low	29.8	Very low	143 Å²	143	134.3 Å²	134.3	62%	0.622	73%	0.731	S	S	*	*			trans	-142.4	161.6	170	-84.9	-179.6	177.3	171	0	109.5	D199	D199-K602 IonicContact OD1-NZ 3.5Å; D199-K602 IonicContact OD2-NZ 2.7Å; D199-K602 PolarHBondContact OD2-NZ 2.89Å
603	S	37.1	Very low	29.9	Very low	132 Å²	132	134.7 Å²	134.7	92%	0.923	73%	0.733	S	S	*	*			trans	-150.6	169	160.9	65.5	0	0	0	0	112.5
604	G	28.2	Very low	29.8	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	74%	0.74	S	S	*	*			trans	-163.1	169.6	-177.3	0	0	0	0	0	112.9
605	T	35.9	Very low	29.7	Very low	136 Å²	136	136 Å²	136	83%	0.834	74%	0.741	S	S	*	*			trans	-81.8	172.7	-169.7	1.8	0	0	0	0	113.6
606	L	33.9	Very low	29.7	Very low	139 Å²	139	136 Å²	136	73%	0.728	74%	0.741	S	S	*	*			cis	-167.5	131.3	34.4	-127	161.3	0	0	0	113.9
607	K	29.1	Very low	30.1	Very low	177 Å²	177	136.7 Å²	136.7	77%	0.77	74%	0.743	S	S	*	*			trans	46.6	138.7	143.8	-83.5	-175.2	-178.3	-174.3	0	128.3
608	T	23.1	Very low	29.8	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	75%	0.75	S	S	*	*			trans	73.1	156.9	139.1	46.8	0	0	0	0	121.4
609	P	40	Very low	29.6	Very low	112 Å²	112	138.4 Å²	138.4	73%	0.727	75%	0.752	S	S	*	*			cis	-132.8	-179.5	16.7	43.5	-26.2	0	0	0	119.3
610	E	26.5	Very low	29.9	Very low	179 Å²	179	138 Å²	138	84%	0.836	76%	0.761	S	S	*	*			trans	24.7	131.8	158.5	-69	-175	86.4	0	0	125
611	Q	26.3	Very low	29.8	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	77%	0.765	S	S	*	*				-170.4	177.4	99	-100	-171.2	-8.6	0	0	112.5
612	A	27.6	Very low	29.7	Very low	95 Å²	95	140.5 Å²	140.5	79%	0.785	77%	0.769	S	S	*	*			trans	-99.2	-172.4	-176.2	0	0	0	0	0	112.1
613	E	26.6	Very low	29.3	Very low	169 Å²	169	138 Å²	138	79%	0.79	77%	0.77	S	S	*	*			cis	-164	157.3	12.8	-160.1	174	-172.9	0	0	111.3
614	T	22.2	Very low	29	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	76%	0.756	S	S	*	*			trans	65	160.9	162.2	18.1	0	0	0	0	118.1
615	Q	26.4	Very low	29	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	76%	0.76	S	S	*	*			cis	-136.5	170.3	3.1	-58.8	-175.3	-2	0	0	112.8
616	K	25.6	Very low	28.5	Very low	196 Å²	196	140.5 Å²	140.5	85%	0.852	75%	0.754	S	S	*	*			trans	-105.6	179.5	157.4	-125.6	-162.7	177.3	179.4	0	107.4
617	P	37.5	Very low	28.1	Very low	102 Å²	102	143 Å²	143	66%	0.662	76%	0.759	S	S	*	*			cis	-146.3	-157.4	21	28.6	0.9	0	0	0	115.8
618	I	24	Very low	27.8	Very low	155 Å²	155	144.4 Å²	144.4	80%	0.795	76%	0.759	S	S	*	*			trans	91	132.4	155.5	-52.6	178.6	0	0	0	119.4
619	S	27.3	Very low	28	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	75%	0.751	S	S	*	*			trans	-139.4	150.7	159.8	169.7	0	0	0	0	106.7
620	P	37.3	Very low	27.3	Very low	100 Å²	100	146.6 Å²	146.6	65%	0.649	75%	0.754	S	S	*	*				-153.2	145.4	126	35.6	-17.9	0	0	0	117.3
621	E	28	Very low	27.4	Very low	150 Å²	150	145.3 Å²	145.3	70%	0.701	75%	0.748	S	S	*	*			trans	59.1	168.9	142.1	-63.4	-165	94.9	0	0	120.2
622	K	28.1	Very low	27.8	Very low	154 Å²	154	144.3 Å²	144.3	67%	0.67	74%	0.741	S	S	*	*			cis	-157.9	166.4	13.2	-143.6	145.6	-172.3	140.5	0	113.1
623	S	23.9	Very low	28.7	Very low	90 Å²	90	144.6 Å²	144.6	63%	0.629	74%	0.735	S	S	*	*			trans	73.1	154.2	153.2	-67.7	0	0	0	0	120.5
624	Q	32.6	Very low	28.7	Very low	135 Å²	135	141.8 Å²	141.8	63%	0.631	73%	0.73	S	S	*	*			cis	-168.4	142.9	-23.4	-112.9	177.6	67.8	0	0	111.7
625	K	26.3	Very low	29.5	Very low	191 Å²	191	144.7 Å²	144.7	83%	0.83	73%	0.732	S	S	*	*			trans	61.8	150	154.2	-61.7	160.7	176	158.2	0	119.2
626	G	25.9	Very low	30.1	Very low	68 Å²	68	147.8 Å²	147.8	70%	0.701	74%	0.736	S	S	*	*			cis	161.7	162.2	-12.2	0	0	0	0	0	115.4
627	K	26.4	Very low	30.5	Very low	191 Å²	191	147.6 Å²	147.6	83%	0.83	74%	0.735	S	S	*	*			trans	73.7	154.3	175.9	-52.4	-176.1	177.2	-176.4	0	115.9
628	W	22.6	Very low	30.1	Very low	207 Å²	207	146.8 Å²	146.8	78%	0.784	74%	0.737	S	S	*	*			cis	-145.1	131.8	7.4	-162.8	-69.3	0	0	0	113.9
629	V	26.5	Very low	30.5	Very low	102 Å²	102	142.6 Å²	142.6	62%	0.618	73%	0.732	S	S	*	*			trans	-1.9	148.7	150.5	-141.1	0	0	0	0	119
630	K	25.9	Very low	30.8	Very low	184 Å²	184	145.9 Å²	145.9	80%	0.8	74%	0.735	S	S	*	*				-173.7	123.3	52.9	-157.1	158.6	-170.9	-178.8	0	110.9
631	E	28.8	Very low	30.6	Very low	152 Å²	152	148.2 Å²	148.2	71%	0.71	74%	0.741	S	S	*	*				66.1	134.8	85.7	-62.1	-149	108.4	0	0	117.2
632	K	34.1	Very low	30.7	Very low	176 Å²	176	148.4 Å²	148.4	77%	0.765	75%	0.746	S	S	*	*			cis	76.5	165.1	42.5	-76.8	-172.2	173.4	174.9	0	114.1
633	P	46.1	Very low	30.6	Very low	101 Å²	101	147.7 Å²	147.7	66%	0.656	75%	0.749	S	S	*	*			cis	-76.8	-163.6	24.1	35.7	-41.4	0	0	0	115.4
634	T	27.8	Very low	30.9	Very low	111 Å²	111	150.3 Å²	150.3	68%	0.681	76%	0.756	S	S	*	*			cis	-135.1	-178.6	9.4	68.5	0	0	0	0	110.6
635	K	37.7	Very low	30.7	Very low	183 Å²	183	148.7 Å²	148.7	80%	0.796	76%	0.759	S	S	*	*			cis	89.8	126.4	-2.6	-53.1	167.7	-172.4	172.6	0	116.6
636	R	39.9	Very low	30.8	Very low	247 Å²	247	146.2 Å²	146.2	93%	0.932	75%	0.75	S	S	*	*			cis	-143.2	-158.4	-4.8	-140.3	178.4	-179.1	167.4	-0	107.5
637	K	35	Very low	30.8	Very low	193 Å²	193	151.2 Å²	151.2	84%	0.839	75%	0.753	S	S	*	*			cis	-160.1	162.6	11.4	-165.8	-162.7	177.8	-173.6	0	105.1
638	A	28.8	Very low	30.8	Very low	85 Å²	85	147.2 Å²	147.2	70%	0.702	75%	0.749	S	S	*	*			cis	-121	-128	1.2	0	0	0	0	0	109.8
639	G	31	Very low	30.9	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	75%	0.745	S	S	*	*			cis	104.7	146.9	-10.3	0	0	0	0	0	117
640	Q	33.1	Very low	31	Very low	177 Å²	177	146 Å²	146	83%	0.827	75%	0.754	S	S	*	*			cis	-155.5	116.4	-4.4	-62.8	-163.7	152.1	0	0	115.6
641	I	33.1	Very low	31.2	Very low	149 Å²	149	146.1 Å²	146.1	76%	0.764	75%	0.754	S	S	*	*			trans	56.9	141.3	131.8	-29	174	0	0	0	123.4
642	L	32	Very low	31	Very low	153 Å²	153	148 Å²	148	80%	0.801	76%	0.76	S	S	*	*			trans	89.2	143.1	161.5	-58.9	-176.4	0	0	0	118.8
643	D	24.7	Very low	30.5	Very low	139 Å²	139	145 Å²	145	74%	0.743	76%	0.759	S	S	*	*			cis	-159.4	-172	-27.3	-159.5	12.4	0	0	0	112.3
644	L	30.2	Very low	29.6	Very low	146 Å²	146	147 Å²	147	76%	0.764	76%	0.764	S	S	*	*			trans	-88.7	134.9	-160.2	-103	67.4	0	0	0	119.3
645	S	27.9	Very low	29.4	Very low	101 Å²	101	150.4 Å²	150.4	71%	0.706	77%	0.77	S	S	*	*				80.9	167.1	117.6	-157.7	0	0	0	0	123.4
646	Q	29.3	Very low	28.8	Very low	138 Å²	138	146.1 Å²	146.1	65%	0.645	77%	0.768	S	S	*	*			trans	88.9	109	157.2	-55.5	-158.4	38.1	0	0	123.3
647	K	25.6	Very low	28.7	Very low	173 Å²	173	140.1 Å²	140.1	75%	0.752	76%	0.761	S	S	*	*				71.2	128.9	123	-67.3	177.4	-174.8	156.6	0	122.6
648	S	25.9	Very low	28.4	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	76%	0.758	S	S	*	*				108.1	125.3	123.4	76	0	0	0	0	122.7
649	S	26.3	Very low	28.5	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	76%	0.761	S	S	*	*				54.6	116.4	123.7	-58.7	0	0	0	0	124.1
650	K	28.5	Very low	28.5	Very low	183 Å²	183	141.7 Å²	141.7	80%	0.796	77%	0.768	S	S	*	*				75.8	118.4	127.1	-70.2	175.5	179.1	169.7	0	122
651	K	28.3	Very low	28.4	Very low	186 Å²	186	142 Å²	142	81%	0.809	77%	0.766	S	S	*	*				88	143.2	128.4	-73.8	-178.1	174.7	-171.1	0	122.1
652	K	25.2	Very low	28.3	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	76%	0.759	S	S	*	*			trans	65	122.4	162.2	-70.2	-177.2	172.5	-173.3	0	116.4
653	C	23.4	Very low	28.2	Very low	111 Å²	111	140.3 Å²	140.3	75%	0.75	76%	0.758	S	S	*	*			cis	72.2	119.9	44.9	-173.3	0	0	0	0	114.6
654	L	27.6	Very low	28.5	Very low	143 Å²	143	138.7 Å²	138.7	75%	0.749	76%	0.758	S	S	*	*				-176.6	133.5	127.3	-95.5	167.4	0	0	0	113.9
655	K	24.1	Very low	28.4	Very low	184 Å²	184	141 Å²	141	80%	0.8	76%	0.762	S	S	*	*			trans	31.6	117.8	149.1	-61.6	175.8	-176.3	-177.8	0	122.4
656	A	24.6	Very low	28.3	Very low	92 Å²	92	142.5 Å²	142.5	76%	0.76	77%	0.767	S	S	*	*				32.2	163.1	96.5	0	0	0	0	0	120.4
657	P	38.6	Very low	28.2	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	77%	0.765	S	S	*	*			cis	-148.6	179.8	15.7	45.9	-26.6	0	0	0	119.8
658	A	29	Very low	28.6	Very low	93 Å²	93	139.2 Å²	139.2	77%	0.769	77%	0.768	S	S	*	*			trans	93.1	143.1	135.8	0	0	0	0	0	124.8
659	A	29.2	Very low	28.6	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	77%	0.767	S	S	*	*			trans	78.3	143.6	150.4	0	0	0	0	0	121
660	K	32.6	Very low	28.8	Very low	191 Å²	191	139.6 Å²	139.6	83%	0.83	76%	0.76	S	S	*	*			cis	-174.5	144.8	-29.5	-123.7	172.2	-176.9	174.6	0	110.5
661	K	30.1	Very low	28.7	Very low	183 Å²	183	136.5 Å²	136.5	80%	0.796	76%	0.756	S	S	*	*			trans	64.3	163.3	160.5	-65.8	-168	151.3	-165.4	0	117.4
662	L	32.1	Very low	28.7	Very low	118 Å²	118	136.2 Å²	136.2	62%	0.618	76%	0.758	S	S	*	*			cis	-166.2	150.3	-28.2	-102.8	175.7	0	0	0	109.3
663	L	29.4	Very low	28.7	Very low	150 Å²	150	132.1 Å²	132.1	79%	0.785	75%	0.754	S	S	*	*			trans	64.6	161.7	149.7	-67.1	168.1	0	0	0	118.5
664	S	30	Very low	28.8	Very low	105 Å²	105	132 Å²	132	73%	0.734	75%	0.754	S	S	*	*			cis	-155.3	157.5	-7	28.4	0	0	0	0	114.4
665	K	29.5	Very low	29.7	Very low	193 Å²	193	130.7 Å²	130.7	84%	0.839	75%	0.754	S	S	*	*			trans	-23.3	145	163.5	-54.3	172.1	177.1	-179.5	0	120.9
666	T	25	Very low	29.9	Very low	134 Å²	134	127.2 Å²	127.2	82%	0.822	75%	0.749	S	S	*	*				-152.2	142.1	129.3	39.1	0	0	0	0	107.4
667	S	26.6	Very low	29.9	Very low	87 Å²	87	128.7 Å²	128.7	61%	0.608	74%	0.74	S	S	*	*			cis	74	136.5	6.6	78.8	0	0	0	0	118.3
668	L	33.6	Very low	29.5	Very low	154 Å²	154	130.7 Å²	130.7	81%	0.806	74%	0.736	S	S	*	*			cis	-101.2	-118.2	4.3	-66.1	162.4	0	0	0	112.6
669	D	26.6	Very low	29.4	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	74%	0.739	S	S	*	*			cis	-150.3	-178.3	-0.2	-133.3	-46	0	0	0	113.1
670	S	30.5	Very low	29.2	Very low	79 Å²	79	132.7 Å²	132.7	55%	0.552	73%	0.733	S	S	*	*				-152	177.2	-124	66.7	0	0	0	0	121.2
671	T	27	Very low	29	Very low	117 Å²	117	134.6 Å²	134.6	72%	0.718	74%	0.735	S	S	*	*			trans	66.2	154.4	155.1	54.2	0	0	0	0	119.6
672	E	28	Very low	28.7	Very low	180 Å²	180	134.8 Å²	134.8	84%	0.841	74%	0.738	S	S	*	*			cis	-153.6	-179.9	-4	-119.8	173.1	169.3	0	0	108.7
673	S	24.8	Very low	28.5	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	74%	0.744	S	S	*	*			cis	-151.7	173.3	25.9	59.5	0	0	0	0	114.4
674	S	26.2	Very low	29.2	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	74%	0.741	S	S	*	*			trans	-125.4	-153.6	-179.5	-36.3	0	0	0	0	111.1
675	P	45.5	Very low	29	Very low	115 Å²	115	131.3 Å²	131.3	75%	0.747	74%	0.739	S	S	*	*			cis	-114.4	-143.5	-4.4	30.9	-6.1	0	0	0	111.8
676	T	28.3	Very low	29	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	73%	0.729	S	S	*	*			cis	-165.6	168.1	7.7	-2.1	0	0	0	0	106.7
677	E	26.1	Very low	29.3	Very low	123 Å²	123	128 Å²	128	58%	0.575	72%	0.721	S	S	*	*			cis	-124.4	-146.1	-1.4	-104.3	-60.2	67.4	0	0	109.7
678	K	29.8	Very low	29.6	Very low	163 Å²	163	131.2 Å²	131.2	71%	0.709	72%	0.724	S	S	*	*			cis	67.1	155.6	17.2	-37.2	-166.7	-154	76.1	0	116.5
679	V	25.4	Very low	29.5	Very low	135 Å²	135	132.7 Å²	132.7	82%	0.818	72%	0.724	S	S	*	*			cis	-130.1	171.2	13.8	178.6	0	0	0	0	112.8
680	S	26.9	Very low	29.6	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	72%	0.724	S	S	*	*			trans	-113	166.6	-158.9	-38	0	0	0	0	116.4
681	R	27.1	Very low	29.6	Very low	232 Å²	232	138.5 Å²	138.5	88%	0.875	74%	0.737	S	S	*	*			trans	58.6	141.9	142.5	-71.2	173.3	176.5	-163.9	0.1	121.5
682	E	24.6	Very low	29.7	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	73%	0.731	S	S	*	*				179.8	-179.5	97.1	-89.2	-155.6	146.7	0	0	113.6
683	A	27.1	Very low	29.9	Very low	88 Å²	88	133 Å²	133	73%	0.727	72%	0.72	S	S	*	*			trans	-141.4	-150.7	178.3	0	0	0	0	0	107.2
684	P	43.6	Very low	30	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	72%	0.718	S	S	*	*			cis	-139.9	-170.6	-14.7	41.9	-22.7	0	0	0	115.8
685	S	27.2	Very low	30.3	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	72%	0.724	S	S	*	*			trans	82.7	165	150.5	89.9	0	0	0	0	119
686	N	28.1	Very low	29.6	Very low	119 Å²	119	142.1 Å²	142.1	64%	0.636	72%	0.724	S	S	*	*			cis	-162.5	141.2	13	-131.7	-39.7	0	0	0	114.9
687	Q	32.9	Very low	29.5	Very low	138 Å²	138	141.8 Å²	141.8	65%	0.645	72%	0.722	S	S	*	*			trans	67.6	163.9	151.3	-76.7	167	61.9	0	0	120
688	K	32.3	Very low	29.5	Very low	155 Å²	155	141.3 Å²	141.3	67%	0.674	73%	0.732	S	S	*	*			cis	-164.6	121.7	22.8	-143.3	157.2	-170.4	166.4	0	116.3
689	K	32.3	Very low	29.4	Very low	185 Å²	185	138 Å²	138	80%	0.804	74%	0.735	S	S	*	*			trans	55.7	164.7	147.3	-53.2	179.3	-176.1	-177.6	0	119.2
690	T	28.5	Very low	29.4	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	74%	0.738	S	S	*	*			cis	-132.9	138.4	4.6	38.9	0	0	0	0	110.9
691	R	30.6	Very low	29.3	Very low	218 Å²	218	137 Å²	137	82%	0.823	74%	0.738	S	S	*	*				69	139.8	76.5	-114.4	-167.5	67.7	162.4	2.8	114
692	T	29.1	Very low	29.9	Very low	96 Å²	96	131.6 Å²	131.6	59%	0.589	73%	0.732	S	S	*	*			cis	-148.3	172.1	13.3	-26.3	0	0	0	0	106.8
693	S	30.6	Very low	30	Very low	87 Å²	87	132.2 Å²	132.2	61%	0.608	73%	0.732	S	S	*	*			cis	-166	178.3	14.3	-160.6	0	0	0	0	112.1
694	T	28.2	Very low	30.5	Very low	117 Å²	117	132.7 Å²	132.7	72%	0.718	73%	0.727	S	S	*	*			trans	65.1	165.9	165.6	64.6	0	0	0	0	116.5
695	R	32.2	Very low	29.7	Very low	236 Å²	236	134.5 Å²	134.5	89%	0.891	73%	0.731	S	S	*	*			cis	-165.5	158.6	-25.5	-102.1	174	173.7	-174.3	-2.2	105.3
696	K	29.5	Very low	29.9	Very low	169 Å²	169	138.5 Å²	138.5	74%	0.735	74%	0.739	S	S	*	*			cis	-166.1	115.7	-12.4	169.2	-114.2	172.2	-135.7	0	108.6
697	T	27.1	Very low	29.9	Very low	105 Å²	105	138.8 Å²	138.8	64%	0.644	75%	0.75	S	S	*	*			trans	59.5	158.5	160.8	57.9	0	0	0	0	118.7
698	S	26.9	Very low	29.6	Very low	112 Å²	112	140 Å²	140	78%	0.783	76%	0.759	S	S	*	*			cis	-165.4	161.4	-19.2	44.5	0	0	0	0	108.6
699	A	26.2	Very low	29.3	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	76%	0.757	S	S	*	*			trans	-88	-172.5	176.1	0	0	0	0	0	113.1
700	V	25.3	Very low	29.2	Very low	146 Å²	146	136.1 Å²	136.1	89%	0.885	76%	0.756	S	S	*	*			trans	101.3	127.9	175.7	-177.7	0	0	0	0	114.9
701	G	25.7	Very low	29.2	Very low	62 Å²	62	134 Å²	134	64%	0.639	74%	0.743	S	S	*	*			trans	-115.1	-144.3	165.5	0	0	0	0	0	109.8
702	P	39.1	Very low	29.3	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	73%	0.726	S	S	*	*			cis	-135.4	177.1	-5.1	42.9	-27.4	0	0	0	115
703	K	27.4	Very low	29.7	Very low	201 Å²	201	127.1 Å²	127.1	87%	0.874	73%	0.73	S	S	*	*			trans	65.4	170.4	163.8	-75.1	-174.5	177.7	-174.4	0	116
704	P	37.8	Very low	29.4	Very low	97 Å²	97	127.5 Å²	127.5	63%	0.63	73%	0.733	S	S	*	*			cis	-124.4	-175.8	2.9	45.2	-31.3	0	0	0	115.5
705	D	27.5	Very low	29.5	Very low	149 Å²	149	129 Å²	129	80%	0.797	74%	0.736	S	S	*	*			trans	57.2	149.9	155.8	-50.2	-33.2	0	0	0	120
706	E	30.5	Very low	29.2	Very low	184 Å²	184	125.2 Å²	125.2	86%	0.86	73%	0.728	S	S	*	*			cis	-132.5	160.7	-4.7	-61.2	178.1	99	0	0	109.6
707	S	27.3	Very low	29.3	Very low	125 Å²	125	120.2 Å²	120.2	87%	0.874	72%	0.718	S	S	*	*			trans	179	164	148.3	35.2	0	0	0	0	114.4
708	I	27.5	Very low	29.3	Very low	163 Å²	163	122.9 Å²	122.9	84%	0.836	73%	0.725	S	S	*	*			trans	-146.4	138.6	-164.8	-74.2	175.5	0	0	0	108.4
709	S	26.9	Very low	29.5	Very low	89 Å²	89	127 Å²	127	62%	0.622	73%	0.729	S	S	*	*			cis	-172.5	162.2	-12.1	54.6	0	0	0	0	111.2
710	E	29	Very low	29.6	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	73%	0.729	S	S	*	*			trans	70.2	162.8	167.5	-39.1	-168	141.8	0	0	115.9
711	T	28.1	Very low	29.7	Very low	77 Å²	77	124.6 Å²	124.6	47%	0.472	73%	0.725	S	S	.	*			cis	-155.4	132.9	25.8	8.4	0	0	0	0	115.2	C78	C78-T711 WeakPolarHBondContact CB-O 3.49Å; C78-T711 PolarHBondContact SG-O 3.05Å
712	S	32.6	Very low	29.7	Very low	66 Å²	66	127.7 Å²	127.7	46%	0.462	73%	0.731	S	S	.	*			trans	77.6	167.4	140.7	-44.5	0	0	0	0	119.5
713	P	39.1	Very low	29.3	Very low	104 Å²	104	130.5 Å²	130.5	68%	0.675	73%	0.734	S	S	*	*				-145.1	169	-85.5	39.9	-19.4	0	0	0	118.6	V80	V80-P713 HydrophobicContact CG2-CB 4.38Å
714	S	24.1	Very low	29.8	Very low	95 Å²	95	125.4 Å²	125.4	66%	0.664	72%	0.721	S	S	*	*			trans	-168	155.1	149.3	-78	0	0	0	0	108
715	L	29.9	Very low	29.2	Very low	148 Å²	148	127.5 Å²	127.5	78%	0.775	73%	0.733	S	S	*	*			cis	-156.8	-177.4	-17.8	-103.1	172.7	0	0	0	105.3
716	E	26.8	Very low	29.2	Very low	156 Å²	156	123.3 Å²	123.3	73%	0.729	72%	0.724	S	S	*	*			cis	-153.6	-176.3	11.1	-136	-59.6	69.6	0	0	108.8
717	A	30.5	Very low	29	Very low	64 Å²	64	121 Å²	121	53%	0.529	73%	0.728	S	S	.	*			trans	-5.3	147.5	162.8	0	0	0	0	0	122.8
718	M	27.6	Very low	29	Very low	161 Å²	161	118.3 Å²	118.3	79%	0.793	72%	0.721	S	S	*	*				170.8	116.8	127.5	-84.6	-89.9	172.1	0	0	109.4
719	K	31	Very low	28.8	Very low	200 Å²	200	119.6 Å²	119.6	87%	0.87	72%	0.723	S	S	*	*				72.6	139.1	89.7	-93.8	-165.1	180	179.4	0	116.8
720	G	28.9	Very low	28.9	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	73%	0.733	S	S	*	*			trans	167	81.6	162.2	0	0	0	0	0	119.8
721	S	25.8	Very low	28.8	Very low	114 Å²	114	119.5 Å²	119.5	80%	0.797	73%	0.732	S	S	*	*			trans	175.8	119.4	138.7	-82.4	0	0	0	0	109.1
722	V	27.1	Very low	28.5	Very low	127 Å²	127	125.7 Å²	125.7	77%	0.77	75%	0.753	S	S	*	*				78.9	93.7	62.1	172	0	0	0	0	109.7
723	Q	29.6	Very low	28.4	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	76%	0.764	S	S	*	*				84.8	163	82.4	-103.2	-163.3	-2	0	0	113
724	P	38.5	Very low	28	Very low	93 Å²	93	127.6 Å²	127.6	60%	0.604	77%	0.765	S	S	*	*			cis	-132.7	-170	-0.6	35.3	-14.3	0	0	0	115.4
725	T	25	Very low	28.2	Very low	142 Å²	142	130.7 Å²	130.7	87%	0.871	77%	0.774	S	S	*	*			trans	69.2	149.1	166.6	65.2	0	0	0	0	118.4
726	G	27.3	Very low	28.1	Very low	60 Å²	60	127.1 Å²	127.1	62%	0.619	77%	0.773	S	S	*	*			cis	141.6	118.5	-12.2	0	0	0	0	0	113.9
727	S	25.6	Very low	28.3	Very low	135 Å²	135	127.7 Å²	127.7	94%	0.944	78%	0.78	S	S	*	*			trans	61.1	155.1	-170.8	73.9	0	0	0	0	114.2
728	G	27.4	Very low	28.1	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	79%	0.789	S	S	*	*			cis	178.4	144.2	-8.6	0	0	0	0	0	110.9
729	E	24.7	Very low	28.3	Very low	190 Å²	190	130.2 Å²	130.2	89%	0.888	79%	0.787	S	S	*	*			trans	-70.4	151.1	158.7	-56.6	170	130.2	0	0	107.1
730	I	28.2	Very low	29.2	Very low	163 Å²	163	126.2 Å²	126.2	84%	0.836	78%	0.781	S	S	*	*			cis	-153.2	164.9	27.2	-16.9	174.6	0	0	0	109.9
731	A	26.4	Very low	29.4	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	78%	0.778	S	S	*	*			trans	67.7	133.9	157.3	0	0	0	0	0	119.7
732	F	23.1	Very low	30.9	Very low	207 Å²	207	129.2 Å²	129.2	91%	0.908	77%	0.772	S	S	*	*			trans	-137.3	126.2	159.4	-145.6	-79.7	0	0	0	107.4
733	S	30	Very low	30.9	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	77%	0.774	S	S	*	*			trans	-140.6	130.4	173.1	-72	0	0	0	0	109.7
734	T	30.6	Very low	31	Very low	111 Å²	111	126 Å²	126	68%	0.681	77%	0.768	S	S	*	*			trans	45.9	110.6	150.1	58	0	0	0	0	119.6
735	D	28	Very low	32	Very low	160 Å²	160	127.2 Å²	127.2	86%	0.856	78%	0.776	S	S	*	*				52.7	138	129.5	-52.3	-60.5	0	0	0	122.4
736	G	28.4	Very low	33.4	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	77%	0.766	S	S	*	*				113.4	32.8	121.9	0	0	0	0	0	122.9
737	L	30.3	Very low	33.4	Very low	168 Å²	168	128 Å²	128	88%	0.88	77%	0.774	S	S	*	*			trans	54.5	126.5	151.1	-114.9	72.1	0	0	0	122.2
738	T	26.5	Very low	33.4	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	77%	0.772	S	S	*	*			trans	88	92.8	141	-47.1	0	0	0	0	121.8
739	Q	31.9	Very low	34.2	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.752	77%	0.768	S	S	*	*			trans	56.5	161.4	133.1	-81.6	-139.4	-47	0	0	122.3
740	P	49.3	Very low	34.4	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	76%	0.761	S	S	*	*			cis	-133.4	-174.5	20.7	43.4	-25.3	0	0	0	118.6
741	E	34.8	Very low	34.3	Very low	149 Å²	149	129.2 Å²	129.2	70%	0.696	75%	0.753	S	S	*	*			trans	-53.1	171.7	166.1	-77.1	-72.6	131.7	0	0	114.8
742	P	56.2	Low	34.4	Very low	102 Å²	102	132.5 Å²	132.5	66%	0.662	75%	0.75	S	S	*	*			cis	-148.2	-179.3	29	45.6	-25.7	0	0	0	120.9
743	D	27.9	Very low	34.5	Very low	152 Å²	152	128.4 Å²	128.4	81%	0.813	74%	0.743	S	S	*	*			trans	91.2	149	144	-81.6	-49.5	0	0	0	122.4
744	A	30.9	Very low	34.4	Very low	85 Å²	85	132.8 Å²	132.8	70%	0.702	75%	0.752	S	S	*	*			trans	-135	-160.6	-178.4	0	0	0	0	0	108.4
745	P	58.9	Low	34.2	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	76%	0.759	S	S	*	*			cis	-125	-140.5	-13.5	39	-16.9	0	0	0	108.9
746	P	54.3	Low	34.4	Very low	102 Å²	102	128.8 Å²	128.8	66%	0.662	75%	0.754	S	S	*	*			cis	-137	-176.3	-17.9	41.8	-23.5	0	0	0	116.6
747	S	27.2	Very low	34.4	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	76%	0.757	S	S	*	*			trans	81.9	119.3	142.5	-68.4	0	0	0	0	124.6
748	R	26.1	Very low	35.5	Very low	236 Å²	236	130.6 Å²	130.6	89%	0.891	75%	0.746	S	S	*	*			trans	-39.8	179.1	140.1	-116.9	-176.7	166.6	-160.5	-1.8	115.3
749	P	44.4	Very low	36	Very low	99 Å²	99	130.3 Å²	130.3	64%	0.643	75%	0.745	S	S	*	*			cis	-144.7	-172.6	-7.5	41.9	-21.9	0	0	0	117.2
750	S	28.7	Very low	36.3	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	75%	0.747	S	S	*	*			trans	76.7	129.1	137.2	-72.2	0	0	0	0	125.8
751	E	27.5	Very low	35.8	Very low	144 Å²	144	132.2 Å²	132.2	67%	0.673	74%	0.744	S	S	*	*			trans	70	118.8	135.5	-65.2	-136.3	119.1	0	0	125
752	K	27.1	Very low	35.8	Very low	161 Å²	161	134.3 Å²	134.3	70%	0.7	75%	0.751	S	S	*	*				83.6	137.3	128.1	-76.3	175	179.3	141.4	0	123.5
753	T	24.7	Very low	35.8	Very low	122 Å²	122	134.8 Å²	134.8	75%	0.748	75%	0.754	S	S	*	*			trans	86.8	119	149.4	-54.1	0	0	0	0	119.9
754	E	28.3	Very low	36.1	Very low	192 Å²	192	133 Å²	133	90%	0.897	75%	0.753	S	S	*	*			trans	27.4	144.7	149.8	-57.3	-178.2	158.4	0	0	122.8
755	G	27.6	Very low	36.8	Very low	81 Å²	81	135.2 Å²	135.2	84%	0.835	76%	0.757	S	S	*	*			trans	161.2	104.4	165.7	0	0	0	0	0	115.1
756	S	31.8	Very low	37	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	76%	0.757	S	S	*	*			trans	-78.2	139.5	-178.9	54.2	0	0	0	0	115.2
757	H	27.7	Very low	37.3	Very low	180 Å²	180	135.4 Å²	135.4	83%	0.833	76%	0.759	S	S	*	*			trans	49.4	161.9	132.6	-73.5	-73.2	0	0	0	122.2
758	P	53.1	Low	37.7	Very low	99 Å²	99	140.4 Å²	140.4	64%	0.643	76%	0.76	S	S	*	*			cis	-146.4	-166.5	-29.9	38.9	-17.6	0	0	0	116.2
759	T	38.5	Very low	38.2	Very low	112 Å²	112	136 Å²	136	69%	0.687	75%	0.753	S	S	*	*			trans	87.3	129	142.7	42	0	0	0	0	126.1
760	F	36.6	Very low	37.7	Very low	183 Å²	183	139.5 Å²	139.5	80%	0.803	77%	0.766	S	S	*	*				105.7	111.5	127.8	-92.2	-143.9	0	0	0	125.7
761	I	40.7	Very low	38.3	Very low	133 Å²	133	142 Å²	142	68%	0.682	77%	0.77	S	S	*	*				81.1	111.1	128.6	-71.3	-173.9	0	0	0	124.4
762	K	34	Very low	39.3	Very low	194 Å²	194	141.1 Å²	141.1	84%	0.843	78%	0.777	S	S	*	*				38.3	168.5	119.5	-103.4	-174.9	176.1	178.8	0	122.6
763	P	55.9	Low	39.7	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	78%	0.779	S	S	*	*			cis	-141.9	-178.5	-15.4	41.1	-22.1	0	0	0	118.4
764	S	34.6	Very low	40.3	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	78%	0.781	S	S	*	*			trans	104.2	159.4	152.3	-140.9	0	0	0	0	121.8
765	V	46	Very low	40.6	Very low	131 Å²	131	141 Å²	141	79%	0.794	78%	0.78	S	S	*	*			trans	-155.6	-166.9	-158	-72.5	0	0	0	0	111.8
766	P	62.7	Low	40.8	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	78%	0.778	S	S	*	*			cis	-138.9	-106.1	9.9	30	1.8	0	0	0	120.7
767	P	60.6	Low	41.1	Very low	106 Å²	106	145.5 Å²	145.5	69%	0.688	78%	0.779	S	S	*	*			trans	-140.6	-179.7	-137.7	43.9	-21.8	0	0	0	120.8
768	R	35.4	Very low	42.1	Very low	220 Å²	220	142.6 Å²	142.6	83%	0.83	78%	0.776	S	S	*	*			trans	159.1	126.9	132.8	-88.2	-173.8	175.2	-143.3	-1.1	120.7
769	L	35.8	Very low	41.4	Very low	144 Å²	144	141.8 Å²	141.8	75%	0.754	78%	0.778	S	S	*	*			trans	73.3	145.3	130.1	-58.6	175.7	0	0	0	129.2
770	L	34.2	Very low	41.4	Very low	172 Å²	172	142.1 Å²	142.1	90%	0.901	78%	0.775	S	S	*	*			trans	121.8	162.4	146.5	-77.7	172.2	0	0	0	123.5
771	L	42.1	Very low	41.6	Very low	160 Å²	160	138.2 Å²	138.2	84%	0.838	78%	0.777	S	S	*	*			trans	-157	163.3	-154.2	-94.6	174.6	0	0	0	119.8
772	P	47.6	Very low	41.3	Very low	125 Å²	125	141.3 Å²	141.3	81%	0.812	79%	0.789	S	S	*	*			trans	-138.9	-175	157.7	40.5	-23.9	0	0	0	115.8
773	G	35.2	Very low	41.5	Very low	72 Å²	72	140.1 Å²	140.1	74%	0.742	79%	0.791	S	S	*	*			cis	165.2	76.8	-17.7	0	0	0	0	0	122.2
774	Q	37.4	Very low	40.4	Very low	168 Å²	168	142.5 Å²	142.5	79%	0.785	80%	0.798	S	S	*	*			trans	68.7	-178.9	161.2	-45.9	-170.3	17.5	0	0	119.9
775	R	35.8	Very low	40.8	Very low	233 Å²	233	145.7 Å²	145.7	88%	0.879	80%	0.801	S	S	*	*			cis	-167.9	162.5	5.9	-146.9	174	-146.5	-122.1	-1.1	114.8
776	G	31	Very low	40.3	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	80%	0.798	S	S	*	*			trans	139.9	141.7	157.8	0	0	0	0	0	120.9
777	R	38.5	Very low	38.8	Very low	203 Å²	203	145 Å²	145	77%	0.766	80%	0.801	S	S	*	*			trans	-166.6	163.7	176.1	-135.9	-167.5	-146.3	-120.6	2.9	112.9	D780	R777-D780 IonicContact CZ-OD1 2.77Å; R777-D780 IonicContact CZ-OD2 3.78Å; R777-D780 IonicContact NH1-OD1 3.25Å; R777-D780 PolarHBondContact NH1-OD1 2.92Å; R777-D780 IonicContact NH1-OD2 3.12Å; R777-D780 PolarHBondContact NH1-OD2 3.37Å
778	P	49.5	Very low	37.5	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	81%	0.808	S	S	*	*				-158.8	174.8	80.1	43	-22.3	0	0	0	119.7
779	A	37.6	Very low	37.5	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	81%	0.807	S	S	*	*			trans	55.3	111.2	160.7	0	0	0	0	0	119.6
780	D	37.3	Very low	37.6	Very low	119 Å²	119	141.7 Å²	141.7	64%	0.636	81%	0.806	S	S	*	*			cis	76.9	133.2	28.8	-43.7	-77.7	0	0	0	114	R777	R777-D780 IonicContact CZ-OD1 2.77Å; R777-D780 IonicContact CZ-OD2 3.78Å; R777-D780 IonicContact NH1-OD1 3.25Å; R777-D780 PolarHBondContact NH1-OD1 2.92Å; R777-D780 IonicContact NH1-OD2 3.12Å; R777-D780 PolarHBondContact NH1-OD2 3.37Å
781	A	41.6	Very low	37.5	Very low	102 Å²	102	142.1 Å²	142.1	84%	0.843	80%	0.803	S	S	*	*			cis	-154.1	-115.9	0.2	0	0	0	0	0	115.7
782	E	34.3	Very low	37.5	Very low	198 Å²	198	142.9 Å²	142.9	93%	0.925	80%	0.802	S	S	*	*			trans	79.1	154.2	-173.2	-63.5	-156.5	155.3	0	0	120.7
783	D	38.3	Very low	36.9	Very low	168 Å²	168	140.5 Å²	140.5	90%	0.898	80%	0.8	S	S	*	*			trans	-102.5	159.1	-153.7	-66.7	-82.1	0	0	0	118.7
784	D	33.9	Very low	37	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	81%	0.808	S	S	*	*			trans	-155.6	152.7	145.5	-166.7	13.4	0	0	0	111
785	E	43	Very low	37	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	80%	0.803	S	S	*	*			trans	-88.7	147	-169.8	-72.2	-152.6	126.9	0	0	115.5
786	G	35.1	Very low	37.2	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	80%	0.803	S	S	*	*			trans	-98.6	120.1	-178.7	0	0	0	0	0	115.2
787	I	30.9	Very low	37.4	Very low	162 Å²	162	138.6 Å²	138.6	83%	0.831	81%	0.805	S	S	*	*			trans	-135.2	76.2	162.8	30.3	171.6	0	0	0	113.1	S789	I787-S789 VanDerWaalsContact C-N 3.34Å; I787-S789 PolarHBondContact O-N 3.06Å
788	H	32.6	Very low	37.4	Very low	180 Å²	180	133.8 Å²	133.8	83%	0.833	80%	0.802	S	S	*	*			trans	-71.5	84.8	164.5	-77.8	-77.5	0	0	0	111.4	S790	H788-S790 PolarHBondContact O-N 3.06Å; H788-S790 VanDerWaalsContact O-N 3.16Å
789	S	35.3	Very low	36.8	Very low	117 Å²	117	136 Å²	136	82%	0.818	81%	0.807	S	S	*	*			trans	-66.4	110.5	163	-78.3	0	0	0	0	109.4	I787	I787-S789 VanDerWaalsContact C-N 3.34Å; I787-S789 PolarHBondContact O-N 3.06Å
790	S	38.3	Very low	36.9	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	81%	0.814	S	S	*	*			trans	-146.7	143.1	179	-80.4	0	0	0	0	113.4	H788	H788-S790 PolarHBondContact O-N 3.06Å; H788-S790 VanDerWaalsContact O-N 3.16Å
791	H	31.4	Very low	36.9	Very low	181 Å²	181	136.7 Å²	136.7	84%	0.838	82%	0.823	S	S	*	*			trans	79.2	135.6	164.5	-141.9	-74.9	0	0	0	119.5
792	E	42.8	Very low	36.7	Very low	177 Å²	177	137.7 Å²	137.7	83%	0.827	82%	0.823	S	S	*	*			trans	-74.8	155.1	175	-58.4	169.3	93.6	0	0	111.6
793	G	34.1	Very low	37.4	Very low	75 Å²	75	137.2 Å²	137.2	77%	0.773	82%	0.821	S	S	*	*			trans	-147.9	38	-171.8	0	0	0	0	0	115.4	S795	G793-S795 PolarHBondContact O-N 2.99Å
794	G	38.3	Very low	37.2	Very low	87 Å²	87	132.8 Å²	132.8	90%	0.897	82%	0.815	S	S	*	*			trans	-74.3	107.3	178.5	0	0	0	0	0	112.9
795	S	37.3	Very low	37.4	Very low	98 Å²	98	130 Å²	130	69%	0.685	81%	0.808	S	S	*	*			trans	-113.7	104.9	179.2	61	0	0	0	0	113.2	G793 I797	G793-S795 PolarHBondContact O-N 2.99Å; S795-I797 PolarHBondContact O-N 2.86Å
796	D	40	Very low	37	Very low	165 Å²	165	128.2 Å²	128.2	88%	0.882	81%	0.805	S	S	*	*			trans	-68.6	113	164.4	-100.4	-53.1	0	0	0	109.8
797	I	34.7	Very low	36.9	Very low	160 Å²	160	132 Å²	132	82%	0.821	81%	0.808	S	S	*	*			trans	-99.6	105.7	173.6	45.9	170.5	0	0	0	110.5	S795	S795-I797 PolarHBondContact O-N 2.86Å
798	S	38.6	Very low	37.7	Very low	101 Å²	101	130 Å²	130	71%	0.706	81%	0.808	S	S	*	*			trans	-96.5	162	171.4	-65.9	0	0	0	0	111.4
799	D	37.2	Very low	37.7	Very low	165 Å²	165	124.4 Å²	124.4	88%	0.882	80%	0.799	S	S	*	*			trans	-62.7	134.3	-175	-50.7	-82.7	0	0	0	113.7
800	S	40.8	Very low	37.7	Very low	117 Å²	117	127.1 Å²	127.1	82%	0.818	80%	0.804	S	S	*	*			trans	-111.2	130.3	157.9	-67	0	0	0	0	108.5
801	A	37	Very low	37.5	Very low	99 Å²	99	130.1 Å²	130.1	82%	0.818	81%	0.812	S	S	*	*			trans	-71.1	147.7	171.2	0	0	0	0	0	110
802	S	36.8	Very low	37.4	Very low	123 Å²	123	125.3 Å²	125.3	86%	0.86	81%	0.811	S	S	*	*			trans	-89.1	113.3	168	-163.5	0	0	0	0	108.2
803	E	49.1	Very low	37.2	Very low	188 Å²	188	123.9 Å²	123.9	88%	0.879	82%	0.815	S	S	*	*			trans	-74.1	155.2	157.8	-66.2	173.7	152.6	0	0	108.3
804	G	33.9	Very low	36.9	Very low	75 Å²	75	124.1 Å²	124.1	77%	0.773	82%	0.817	S	S	*	*			trans	-160.9	124	-178.9	0	0	0	0	0	108.9
805	S	38.8	Very low	36.5	Very low	103 Å²	103	125 Å²	125	72%	0.72	82%	0.816	S	S	*	*			trans	-70.3	167	174	52.4	0	0	0	0	110
806	D	33.2	Very low	36.3	Very low	145 Å²	145	124.7 Å²	124.7	78%	0.775	82%	0.819	S	S	*	*				-159.7	136.8	74	-73.7	-30.8	0	0	0	111.6
807	D	34	Very low	37.1	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	82%	0.818	S	S	*	*			trans	-88.4	146.2	164.6	174.6	33.5	0	0	0	109.7
808	S	46.7	Very low	36.9	Very low	119 Å²	119	119.3 Å²	119.3	83%	0.832	82%	0.818	S	S	*	*			trans	-166.5	70.5	175.3	-79.5	0	0	0	0	111.3
809	G	34.1	Very low	36.6	Very low	63 Å²	63	123.8 Å²	123.8	65%	0.649	83%	0.825	S	S	*	*			trans	-72.9	139.1	164.1	0	0	0	0	0	112.4
810	L	35.3	Very low	36.4	Very low	175 Å²	175	123.2 Å²	123.2	92%	0.916	82%	0.821	S	S	*	*			trans	-137.2	148.7	162.1	-78.7	-178.6	0	0	0	110.8
811	N	32.9	Very low	36	Very low	167 Å²	167	121.4 Å²	121.4	89%	0.893	81%	0.813	S	S	*	*			trans	-87.4	154	-161.8	-65.2	-44.9	0	0	0	114.7
812	G	30.6	Very low	35.7	Very low	79 Å²	79	124.2 Å²	124.2	81%	0.814	81%	0.814	S	S	*	*			trans	-159.7	92.4	169.2	0	0	0	0	0	111.9
813	T	37.2	Very low	35.7	Very low	148 Å²	148	125.7 Å²	125.7	91%	0.908	81%	0.813	S	S	*	*			trans	-84.9	137.4	-176.1	50.4	0	0	0	0	113
814	G	28.8	Very low	35.8	Very low	79 Å²	79	122 Å²	122	81%	0.814	81%	0.805	S	S	*	*			trans	-168.2	127.3	172.9	0	0	0	0	0	113.9
815	A	30	Very low	35.8	Very low	106 Å²	106	127.1 Å²	127.1	88%	0.876	81%	0.808	S	S	*	*			trans	-58.8	160.5	-166.6	0	0	0	0	0	118.8
816	A	33.6	Very low	35.6	Very low	92 Å²	92	128.5 Å²	128.5	76%	0.76	81%	0.813	S	S	*	*			trans	-94.6	-169.8	163.5	0	0	0	0	0	110.3
817	P	55.6	Low	36.4	Very low	132 Å²	132	126.8 Å²	126.8	86%	0.857	81%	0.81	S	S	*	*			cis	-128.7	174.1	-10.7	40	-23.8	0	0	0	114.6
818	G	30.3	Very low	36.3	Very low	80 Å²	80	126 Å²	126	83%	0.825	81%	0.81	S	S	*	*			trans	-148.4	142	178.2	0	0	0	0	0	114.4
819	K	33.8	Very low	35.8	Very low	194 Å²	194	129 Å²	129	84%	0.843	81%	0.811	S	S	*	*			trans	-97	144.9	-166.6	-82.8	179.1	174.3	-179.3	0	115.3
820	L	32.9	Very low	35.8	Very low	153 Å²	153	134.9 Å²	134.9	80%	0.801	82%	0.822	S	S	*	*			trans	63.7	125.5	134.5	-65.6	171.5	0	0	0	123.2
821	A	30.8	Very low	35.9	Very low	79 Å²	79	133.8 Å²	133.8	65%	0.653	82%	0.815	S	S	*	*				83.8	128.3	121.7	0	0	0	0	0	123.5
822	N	30.9	Very low	36.2	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	81%	0.81	S	S	*	*			trans	70.4	118.8	139.8	-61.3	-4	0	0	0	122.3
823	D	36.5	Very low	36.6	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	81%	0.806	S	S	*	*			trans	-45.4	164	139.9	-77.3	-73.9	0	0	0	113.3
824	P	53	Low	37.3	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	80%	0.8	S	S	*	*			cis	-147.7	-163.6	35.5	34.8	-9	0	0	0	117.6
825	E	32	Very low	38	Very low	183 Å²	183	134 Å²	134	86%	0.855	80%	0.795	S	S	*	*			trans	102.4	151.2	158.1	-49.1	-157.4	143.7	0	0	119
826	T	34.5	Very low	38.8	Very low	133 Å²	133	137.6 Å²	137.6	82%	0.816	79%	0.794	S	S	*	*			trans	-144.6	-171.6	-165.5	63.6	0	0	0	0	107.8
827	P	51.2	Low	39.5	Very low	109 Å²	109	138.8 Å²	138.8	71%	0.708	79%	0.787	S	S	*	*			cis	-128.6	-179.8	-14	41.1	-26.3	0	0	0	113.3
828	T	31.6	Very low	39.8	Very low	132 Å²	132	140.5 Å²	140.5	81%	0.81	78%	0.781	S	S	*	*				-179.9	112.4	126.9	35.5	0	0	0	0	112.6
829	E	36.8	Very low	41.9	Very low	183 Å²	183	140.5 Å²	140.5	86%	0.855	77%	0.769	S	S	*	*			trans	55.2	163.3	136.2	-58.5	-129.5	98.2	0	0	125.2
830	E	32.8	Very low	44.1	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	74%	0.74	S	S	*	*			trans	65.3	106.5	169.3	-59.7	-158.7	162.5	0	0	121.2
831	I	37.8	Very low	46.6	Very low	152 Å²	152	130.1 Å²	130.1	78%	0.779	72%	0.724	S	S	*	*			trans	-104.6	148.1	154.5	-29.2	176.3	0	0	0	107.2	T833	I831-T833 HydrophobicContact CG2-CG2 4.36Å
832	P	40.1	Very low	49.1	Very low	122 Å²	122	126.3 Å²	126.3	79%	0.792	69%	0.693	S	S	*	*				-137.9	147.1	109.7	26.6	-10.3	0	0	0	114.1
833	T	39.3	Very low	51.4	Low	116 Å²	116	125.2 Å²	125.2	71%	0.712	69%	0.686	S	S	*	*			trans	-84	165.4	166.4	58.7	0	0	0	0	110.2	I831	I831-T833 HydrophobicContact CG2-CG2 4.36Å
834	P	50.1	Low	53.4	Low	123 Å²	123	123.2 Å²	123.2	80%	0.799	67%	0.67	S	S	*	*				-138.5	149.8	101.2	36.8	-25.8	0	0	0	114.6
835	T	44	Very low	55	Low	116 Å²	116	120.1 Å²	120.1	71%	0.712	65%	0.65	S	S	*	*			trans	-68	131	174	43	0	0	0	0	113.4	L837	T835-L837 PolarHBondContact O-N 2.88Å
836	E	47.1	Very low	57.3	Low	182 Å²	182	117.6 Å²	117.6	85%	0.85	64%	0.643	S	S	*	*			trans	-70.4	109.5	161.8	-70.5	-165.5	144.1	0	0	111.1	K838	E836-K838 PolarHBondContact O-N 3.3Å
837	L	49.3	Very low	59.8	Low	118 Å²	118	119.1 Å²	119.1	62%	0.618	63%	0.633	S	S	*	*			trans	-77.4	100.2	173.3	-76.2	164.1	0	0	0	110.5	T835 S839 L851	T835-L837 PolarHBondContact O-N 2.88Å; L837-S839 PolarHBondContact O-N 3.4Å; L837-L851 HydrophobicContact CD2-CD2 4.48Å
838	K	61.5	Low	61.3	Low	167 Å²	167	118.4 Å²	118.4	73%	0.726	63%	0.627	S	S	*	*			trans	-61	105.3	168.4	-74.2	178.4	178.9	172	0	109.8	E836 H840	E836-K838 PolarHBondContact O-N 3.3Å; K838-H840 PolarHBondContact O-CD2 3.19Å
839	S	73.8	Confident	64	Low	80 Å²	80	113.6 Å²	113.6	56%	0.559	60%	0.595	S	S	*	*			trans	-76.6	139.4	174.3	59.3	0	0	0	0	110.3	L837 F849	L837-S839 PolarHBondContact O-N 3.4Å; S839-F849 WeakPolarHBondContact CA-O 3.23Å
840	H	79.4	Confident	65.7	Low	52 Å²	52	108.2 Å²	108.2	24%	0.241	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	122.9	-176.7	-67.4	-97.6	0	0	0	110.2	K838 F849 Y855	K838-H840 PolarHBondContact O-CD2 3.19Å; H840-F849 PolarHBondContact N-O 2.91Å; H840-F849 PolarHBondContact O-N 3.4Å; H840-Y855 HydrophobicContact CB-CD1 3.75Å; H840-Y855 HydrophobicContact CB-CD2 3.81Å; H840-Y855 HydrophobicContact CB-CE1 4.37Å; H840-Y855 HydrophobicContact CB-CE2 4.43Å; H840-Y855 HydrophobicContact CB-CG 3.44Å; H840-Y855 VanDerWaalsContact CB-CG 3.44Å
841	T	84.9	Confident	68	Low	77 Å²	77	103.3 Å²	103.3	47%	0.472	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	134.8	-178.5	41.7	0	0	0	0	112.4	I843 T848 Y855	T841-I843 PolarHBondContact O-N 2.86Å; T841-T848 HydrophobicContact CG2-CG2 3.56Å; T841-Y855 VanDerWaalsContact O-CE2 3.23Å; T841-Y855 WeakPolarHBondContact O-CE2 3.35Å
842	C	83.9	Confident	70.2	Confident	0 Å²	0	99.8 Å²	99.8	0%	0	54%	0.536	C	S	.	.			trans	-82.9	107.3	176	-172.1	0	0	0	0	112.4	F844 C845 D846 R847 F849 H858	C842-F844 PolarHBondContact O-N 3.1Å; C842-C845 PolarHBondContact O-N 2.89Å; C842-D846 VanDerWaalsContact O-CA 3.32Å; C842-D846 WeakPolarHBondContact O-CA 3.39Å; C842-D846 PolarHBondContact O-N 2.83Å; C842-R847 PolarHBondContact N-O 2.75Å; C842-F849 HydrophobicContact CB-CE2 4.2Å; C842-H858 WeakPolarHBondContact CB-NE2 3.18Å; C842-H858 PolarHBondContact SG-CD2 3.3Å; C842-H858 PolarHBondContact SG-NE2 3.16Å
843	I	80.1	Confident	72.2	Confident	136 Å²	136	98.1 Å²	98.1	70%	0.697	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-14.3	178.2	-53.3	168.8	0	0	0	113.5	T841	T841-I843 PolarHBondContact O-N 2.86Å
844	F	78.2	Confident	74.2	Confident	111 Å²	111	96.4 Å²	96.4	49%	0.487	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-3.4	179.4	-58.9	-68.7	0	0	0	115.4	C842 L859 H862 L863	C842-F844 PolarHBondContact O-N 3.1Å; F844-L859 HydrophobicContact CD2-CD1 3.85Å; F844-L859 HydrophobicContact CE2-CD1 3.76Å; F844-H862 HydrophobicContact CB-CB 4.37Å; F844-H862 WeakPolarHBondContact CB-ND1 3.38Å; F844-H862 HydrophobicContact CD2-CB 4.12Å; F844-H862 HydrophobicContact CG-CB 4.49Å; F844-L863 HydrophobicContact CE2-CD2 4.21Å; F844-L863 HydrophobicContact CZ-CD2 4.37Å
845	C	86	Confident	76.1	Confident	44 Å²	44	92.3 Å²	92.3	30%	0.297	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.3	16.4	173.4	67.3	0	0	0	0	115.2	C842 R847 H858	C842-C845 PolarHBondContact O-N 2.89Å; C845-R847 PolarHBondContact O-N 3.45Å; C845-H858 VanDerWaalsContact SG-CE1 3.53Å; C845-H858 PolarHBondContact SG-NE2 2.73Å
846	D	80.7	Confident	78.1	Confident	130 Å²	130	93.4 Å²	93.4	70%	0.695	47%	0.468	S	S	*	.			trans	53.6	11.4	177.5	-55.1	-52.5	0	0	0	117.6	C842 T848	C842-D846 VanDerWaalsContact O-CA 3.32Å; C842-D846 WeakPolarHBondContact O-CA 3.39Å; C842-D846 PolarHBondContact O-N 2.83Å; D846-T848 PolarHBondContact O-N 2.84Å
847	R	86.2	Confident	79.9	Confident	165 Å²	165	92.6 Å²	92.6	62%	0.623	46%	0.457	S	S	*	.			trans	-66.4	123.5	175.2	-67.7	-179.2	-175.5	-150.4	-3.4	111.1	C842 C845 F849	C842-R847 PolarHBondContact N-O 2.75Å; C845-R847 PolarHBondContact O-N 3.45Å; R847-F849 HydrophobicContact CB-CE2 3.65Å; R847-F849 HydrophobicContact CB-CZ 3.88Å; R847-F849 WeakPolarHBondContact O-CD2 3.4Å; R847-F849 VanDerWaalsContact O-CE2 3.3Å; R847-F849 WeakPolarHBondContact O-CE2 3.4Å
848	T	84	Confident	81.8	Confident	95 Å²	95	88.4 Å²	88.4	58%	0.583	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.2	169.6	45.2	0	0	0	0	110.7	T841 D846	T841-T848 HydrophobicContact CG2-CG2 3.56Å; D846-T848 PolarHBondContact O-N 2.84Å
849	F	87.4	Confident	83	Confident	30 Å²	30	82.1 Å²	82.1	13%	0.132	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	173.4	-64.4	-87.2	0	0	0	109.9	S839 H840 C842 R847 L851 Q854 Y855 H858	S839-F849 WeakPolarHBondContact CA-O 3.23Å; H840-F849 PolarHBondContact N-O 2.91Å; H840-F849 PolarHBondContact O-N 3.4Å; C842-F849 HydrophobicContact CB-CE2 4.2Å; R847-F849 HydrophobicContact CB-CE2 3.65Å; R847-F849 HydrophobicContact CB-CZ 3.88Å; R847-F849 WeakPolarHBondContact O-CD2 3.4Å; R847-F849 VanDerWaalsContact O-CE2 3.3Å; R847-F849 WeakPolarHBondContact O-CE2 3.4Å; F849-L851 PolarHBondContact O-N 3.19Å; F849-Q854 HydrophobicContact CB-CB 4.36Å; F849-Q854 HydrophobicContact CD1-CB 3.88Å; F849-Q854 HydrophobicContact CG-CB 4.42Å; F849-Y855 HydrophobicContact CD2-CD2 4.35Å; F849-H858 HydrophobicContact CE1-CB 4.13Å; F849-H858 HydrophobicContact CE2-CB 4.07Å; F849-H858 AromaticContact CE2-CD2 3.25Å; F849-H858 WeakPolarHBondContact CE2-CD2 3.32Å; F849-H858 AromaticContact CE2-CG 3.62Å; F849-H858 AromaticContact CE2-NE2 3.77Å; F849-H858 HydrophobicContact CZ-CB 3.7Å; F849-H858 AromaticContact CZ-CD2 3.43Å; F849-H858 VanDerWaalsContact CZ-CD2 3.43Å; F849-H858 WeakPolarHBondContact CZ-CD2 3.43Å; F849-H858 AromaticContact CZ-CE1 3.96Å; F849-H858 AromaticContact CZ-CG 3.3Å; F849-H858 AromaticContact CZ-ND1 3.66Å; F849-H858 AromaticContact CZ-NE2 3.84Å
850	P	73.4	Confident	83.3	Confident	71 Å²	71	82.9 Å²	82.9	46%	0.461	41%	0.406	S	S	.	.	S	Bend	trans	-75.5	-7.4	-179.8	31.6	-36.2	0	0	0	113.4
851	L	81	Confident	83.5	Confident	83 Å²	83	89 Å²	89	44%	0.435	43%	0.427	S	S	.	.	S	Bend	trans	-133.2	127	-178.2	-67.4	174.8	0	0	0	110.7	L837 F849 T853 Q854 Y855	L837-L851 HydrophobicContact CD2-CD2 4.48Å; F849-L851 PolarHBondContact O-N 3.19Å; L851-T853 PolarHBondContact O-N 3.43Å; L851-T853 VanDerWaalsContact O-N 3.16Å; L851-Q854 HydrophobicContact CB-CG 4.13Å; L851-Q854 WeakPolarHBondContact O-CB 3.48Å; L851-Q854 PolarHBondContact O-N 3.15Å; L851-Y855 PolarHBondContact O-N 3.02Å; L851-Y855 VanDerWaalsContact O-N 3.13Å
852	E	83.6	Confident	83.4	Confident	77 Å²	77	87.5 Å²	87.5	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-59	-32.3	-178.9	-160.8	-171.7	-172.8	0	0	112.5	Q854 Y855 R856	E852-Q854 VanDerWaalsContact C-N 3.25Å; E852-Q854 PolarHBondContact O-N 3.38Å; E852-Y855 HydrophobicContact CG-CD1 4.32Å; E852-Y855 PolarHBondContact O-N 3.38Å; E852-R856 VanDerWaalsContact CD-CZ 3.48Å; E852-R856 HydrophobicContact CG-CG 4.16Å; E852-R856 WeakPolarHBondContact O-CB 3.34Å; E852-R856 WeakPolarHBondContact O-CG 3.31Å; E852-R856 PolarHBondContact O-N 2.99Å; E852-R856 IonicContact OE1-CZ 2.69Å; E852-R856 IonicContact OE1-NE 2.99Å; E852-R856 PolarHBondContact OE1-NE 3.42Å; E852-R856 IonicContact OE1-NH2 3.41Å; E852-R856 PolarHBondContact OE1-NH2 3.43Å; E852-R856 IonicContact OE2-CZ 2.67Å; E852-R856 IonicContact OE2-NE 3.15Å; E852-R856 IonicContact OE2-NH2 3.11Å; E852-R856 PolarHBondContact OE2-NH2 2.98Å
853	T	82.1	Confident	83.1	Confident	88 Å²	88	90.8 Å²	90.8	54%	0.54	43%	0.431	S	S	.	.	H	α-helix	trans	-68.8	-23.3	177.3	73.5	0	0	0	0	113.1	L851 R857	L851-T853 PolarHBondContact O-N 3.43Å; L851-T853 VanDerWaalsContact O-N 3.16Å; T853-R857 WeakPolarHBondContact O-CB 3.46Å; T853-R857 WeakPolarHBondContact O-CG 3.31Å; T853-R857 PolarHBondContact O-N 3.35Å; T853-R857 PolarHBondContact O-NE 2.87Å; T853-R857 PolarHBondContact OG1-NH2 2.84Å
854	Q	81.3	Confident	82.8	Confident	80 Å²	80	88 Å²	88	37%	0.374	42%	0.421	S	S	.	.	H	α-helix	trans	-79.9	-46.7	171.2	-63.7	-176.1	3.1	0	0	110	F849 L851 E852 R856 R857 H858	F849-Q854 HydrophobicContact CB-CB 4.36Å; F849-Q854 HydrophobicContact CD1-CB 3.88Å; F849-Q854 HydrophobicContact CG-CB 4.42Å; L851-Q854 HydrophobicContact CB-CG 4.13Å; L851-Q854 WeakPolarHBondContact O-CB 3.48Å; L851-Q854 PolarHBondContact O-N 3.15Å; E852-Q854 VanDerWaalsContact C-N 3.25Å; E852-Q854 PolarHBondContact O-N 3.38Å; Q854-R856 PolarHBondContact O-N 3.41Å; Q854-R857 PolarHBondContact O-N 3.39Å; Q854-H858 WeakPolarHBondContact O-CB 3.22Å; Q854-H858 PolarHBondContact O-N 3.02Å
855	Y	91.1	Very high	81.9	Confident	37 Å²	37	86.8 Å²	86.8	15%	0.145	42%	0.42	C	S	.	.	H	α-helix	trans	-52.6	-53.9	173.2	169.4	-112	0	0	0	112.2	H840 T841 F849 L851 E852 R857 H858 L859	H840-Y855 HydrophobicContact CB-CD1 3.75Å; H840-Y855 HydrophobicContact CB-CD2 3.81Å; H840-Y855 HydrophobicContact CB-CE1 4.37Å; H840-Y855 HydrophobicContact CB-CE2 4.43Å; H840-Y855 HydrophobicContact CB-CG 3.44Å; H840-Y855 VanDerWaalsContact CB-CG 3.44Å; T841-Y855 VanDerWaalsContact O-CE2 3.23Å; T841-Y855 WeakPolarHBondContact O-CE2 3.35Å; F849-Y855 HydrophobicContact CD2-CD2 4.35Å; L851-Y855 PolarHBondContact O-N 3.02Å; L851-Y855 VanDerWaalsContact O-N 3.13Å; E852-Y855 HydrophobicContact CG-CD1 4.32Å; E852-Y855 PolarHBondContact O-N 3.38Å; Y855-R857 VanDerWaalsContact C-N 3.33Å; Y855-R857 PolarHBondContact O-N 3.22Å; Y855-H858 PolarHBondContact O-N 2.95Å; Y855-H858 VanDerWaalsContact O-N 3.16Å; Y855-L859 HydrophobicContact CE1-CD2 4.22Å; Y855-L859 VanDerWaalsContact O-CB 3.25Å; Y855-L859 WeakPolarHBondContact O-CB 3.4Å; Y855-L859 PolarHBondContact O-N 3.25Å
856	R	84.2	Confident	80.6	Confident	139 Å²	139	89.5 Å²	89.5	53%	0.525	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-36.5	178.8	-70.5	178.5	-176.8	-169.4	7.6	112.6	E852 Q854 N860	E852-R856 VanDerWaalsContact CD-CZ 3.48Å; E852-R856 HydrophobicContact CG-CG 4.16Å; E852-R856 WeakPolarHBondContact O-CB 3.34Å; E852-R856 WeakPolarHBondContact O-CG 3.31Å; E852-R856 PolarHBondContact O-N 2.99Å; E852-R856 IonicContact OE1-CZ 2.69Å; E852-R856 IonicContact OE1-NE 2.99Å; E852-R856 PolarHBondContact OE1-NE 3.42Å; E852-R856 IonicContact OE1-NH2 3.41Å; E852-R856 PolarHBondContact OE1-NH2 3.43Å; E852-R856 IonicContact OE2-CZ 2.67Å; E852-R856 IonicContact OE2-NE 3.15Å; E852-R856 IonicContact OE2-NH2 3.11Å; E852-R856 PolarHBondContact OE2-NH2 2.98Å; Q854-R856 PolarHBondContact O-N 3.41Å; R856-N860 VanDerWaalsContact O-CB 3.27Å; R856-N860 WeakPolarHBondContact O-CB 3.49Å; R856-N860 VanDerWaalsContact O-CG 3.26Å; R856-N860 PolarHBondContact O-N 3.13Å; R856-N860 PolarHBondContact O-ND2 2.99Å
857	R	84.9	Confident	79.1	Confident	164 Å²	164	91.3 Å²	91.3	62%	0.619	43%	0.433	S	S	*	.	H	α-helix	trans	-67.2	-42	174	-85.1	-179.3	-77.4	179.4	-7.6	112.1	T853 Q854 Y855 R861	T853-R857 WeakPolarHBondContact O-CB 3.46Å; T853-R857 WeakPolarHBondContact O-CG 3.31Å; T853-R857 PolarHBondContact O-N 3.35Å; T853-R857 PolarHBondContact O-NE 2.87Å; T853-R857 PolarHBondContact OG1-NH2 2.84Å; Q854-R857 PolarHBondContact O-N 3.39Å; Y855-R857 VanDerWaalsContact C-N 3.33Å; Y855-R857 PolarHBondContact O-N 3.22Å; R857-R861 WeakPolarHBondContact O-CB 3.3Å; R857-R861 PolarHBondContact O-N 2.99Å
858	H	89.6	Confident	77.4	Confident	31 Å²	31	92.2 Å²	92.2	14%	0.144	44%	0.437	C	S	.	.	H	α-helix	trans	-70.3	-43.1	178.5	171.2	78.6	0	0	0	112.1	C842 C845 F849 Q854 Y855 R861 H862	C842-H858 WeakPolarHBondContact CB-NE2 3.18Å; C842-H858 PolarHBondContact SG-CD2 3.3Å; C842-H858 PolarHBondContact SG-NE2 3.16Å; C845-H858 VanDerWaalsContact SG-CE1 3.53Å; C845-H858 PolarHBondContact SG-NE2 2.73Å; F849-H858 HydrophobicContact CE1-CB 4.13Å; F849-H858 HydrophobicContact CE2-CB 4.07Å; F849-H858 AromaticContact CE2-CD2 3.25Å; F849-H858 WeakPolarHBondContact CE2-CD2 3.32Å; F849-H858 AromaticContact CE2-CG 3.62Å; F849-H858 AromaticContact CE2-NE2 3.77Å; F849-H858 HydrophobicContact CZ-CB 3.7Å; F849-H858 AromaticContact CZ-CD2 3.43Å; F849-H858 VanDerWaalsContact CZ-CD2 3.43Å; F849-H858 WeakPolarHBondContact CZ-CD2 3.43Å; F849-H858 AromaticContact CZ-CE1 3.96Å; F849-H858 AromaticContact CZ-CG 3.3Å; F849-H858 AromaticContact CZ-ND1 3.66Å; F849-H858 AromaticContact CZ-NE2 3.84Å; Q854-H858 WeakPolarHBondContact O-CB 3.22Å; Q854-H858 PolarHBondContact O-N 3.02Å; Y855-H858 PolarHBondContact O-N 2.95Å; Y855-H858 VanDerWaalsContact O-N 3.16Å; H858-R861 CarbonylContact O-C 3.33Å; H858-R861 WeakPolarHBondContact O-CA 3.44Å; H858-R861 WeakPolarHBondContact O-CB 3.41Å; H858-R861 PolarHBondContact O-N 3.05Å; H858-R861 VanDerWaalsContact O-N 3.1Å; H858-H862 AromaticContact CE1-CD2 3.36Å; H858-H862 PolarHBondContact CE1-CD2 2.69Å; H858-H862 AromaticContact CE1-NE2 3.22Å; H858-H862 PolarHBondContact CE1-NE2 3.11Å; H858-H862 AromaticContact ND1-CD2 3.94Å; H858-H862 AromaticContact NE2-CD2 3.46Å; H858-H862 PolarHBondContact NE2-CD2 3.12Å; H858-H862 AromaticContact NE2-NE2 3.5Å; H858-H862 PolarHBondContact O-N 3.43Å
859	L	86.9	Confident	75.3	Confident	35 Å²	35	93.8 Å²	93.8	18%	0.183	44%	0.439	C	S	.	.	H	α-helix	trans	-59.3	-46.9	172.8	-173.4	70.9	0	0	0	110.9	F844 Y855 R861 H862 L863	F844-L859 HydrophobicContact CD2-CD1 3.85Å; F844-L859 HydrophobicContact CE2-CD1 3.76Å; Y855-L859 HydrophobicContact CE1-CD2 4.22Å; Y855-L859 VanDerWaalsContact O-CB 3.25Å; Y855-L859 WeakPolarHBondContact O-CB 3.4Å; Y855-L859 PolarHBondContact O-N 3.25Å; L859-R861 VanDerWaalsContact C-N 3.29Å; L859-R861 PolarHBondContact O-N 3.31Å; L859-H862 PolarHBondContact O-N 3.22Å; L859-H862 VanDerWaalsContact O-N 3.15Å; L859-L863 HydrophobicContact CG-CD1 4.18Å; L859-L863 WeakPolarHBondContact O-CG 3.22Å; L859-L863 PolarHBondContact O-N 3.36Å
860	N	81.5	Confident	72.9	Confident	96 Å²	96	99.1 Å²	99.1	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-61.8	-35.1	173.6	-78.7	-35.7	0	0	0	112.4	R856 L863 V864	R856-N860 VanDerWaalsContact O-CB 3.27Å; R856-N860 WeakPolarHBondContact O-CB 3.49Å; R856-N860 VanDerWaalsContact O-CG 3.26Å; R856-N860 PolarHBondContact O-N 3.13Å; R856-N860 PolarHBondContact O-ND2 2.99Å; N860-L863 PolarHBondContact O-N 2.95Å; N860-V864 VanDerWaalsContact O-CB 3.31Å; N860-V864 WeakPolarHBondContact O-CB 3.47Å; N860-V864 VanDerWaalsContact O-CG2 3.22Å; N860-V864 WeakPolarHBondContact O-CG2 3.32Å; N860-V864 PolarHBondContact O-N 2.74Å
861	R	81.9	Confident	71.5	Confident	179 Å²	179	102 Å²	102	68%	0.675	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-36.9	173.4	-177.6	171.1	171.6	166.1	-3.9	112.3	R857 H858 L859 N865	R857-R861 WeakPolarHBondContact O-CB 3.3Å; R857-R861 PolarHBondContact O-N 2.99Å; H858-R861 CarbonylContact O-C 3.33Å; H858-R861 WeakPolarHBondContact O-CA 3.44Å; H858-R861 WeakPolarHBondContact O-CB 3.41Å; H858-R861 PolarHBondContact O-N 3.05Å; H858-R861 VanDerWaalsContact O-N 3.1Å; L859-R861 VanDerWaalsContact C-N 3.29Å; L859-R861 PolarHBondContact O-N 3.31Å; R861-N865 WeakPolarHBondContact O-CB 3.43Å; R861-N865 PolarHBondContact O-N 2.86Å; R861-N865 PolarHBondContact O-OD1 2.9Å
862	H	83	Confident	69.7	Low	47 Å²	47	102.3 Å²	102.3	22%	0.218	50%	0.502	C	S	.	.	H	α-helix	trans	-65.2	-48.8	170.2	-89.6	-98.8	0	0	0	111.6	F844 H858 L859 V864 N865 V866	F844-H862 HydrophobicContact CB-CB 4.37Å; F844-H862 WeakPolarHBondContact CB-ND1 3.38Å; F844-H862 HydrophobicContact CD2-CB 4.12Å; F844-H862 HydrophobicContact CG-CB 4.49Å; H858-H862 AromaticContact CE1-CD2 3.36Å; H858-H862 PolarHBondContact CE1-CD2 2.69Å; H858-H862 AromaticContact CE1-NE2 3.22Å; H858-H862 PolarHBondContact CE1-NE2 3.11Å; H858-H862 AromaticContact ND1-CD2 3.94Å; H858-H862 AromaticContact NE2-CD2 3.46Å; H858-H862 PolarHBondContact NE2-CD2 3.12Å; H858-H862 AromaticContact NE2-NE2 3.5Å; H858-H862 PolarHBondContact O-N 3.43Å; L859-H862 PolarHBondContact O-N 3.22Å; L859-H862 VanDerWaalsContact O-N 3.15Å; H862-V864 PolarHBondContact O-N 3.21Å; H862-N865 PolarHBondContact O-N 3.46Å; H862-V866 WeakPolarHBondContact O-CB 3.25Å; H862-V866 VanDerWaalsContact O-CG2 3.31Å; H862-V866 WeakPolarHBondContact O-CG2 3.41Å; H862-V866 PolarHBondContact O-N 3.36Å
863	L	78.3	Confident	67.3	Low	68 Å²	68	102.4 Å²	102.4	36%	0.356	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-40.7	179.4	-68.7	170.5	0	0	0	112.3	F844 L859 N860 V866 Y867	F844-L863 HydrophobicContact CE2-CD2 4.21Å; F844-L863 HydrophobicContact CZ-CD2 4.37Å; L859-L863 HydrophobicContact CG-CD1 4.18Å; L859-L863 WeakPolarHBondContact O-CG 3.22Å; L859-L863 PolarHBondContact O-N 3.36Å; N860-L863 PolarHBondContact O-N 2.95Å; L863-V866 PolarHBondContact O-N 3.01Å; L863-Y867 WeakPolarHBondContact O-CB 3Å; L863-Y867 WeakPolarHBondContact O-CD2 3.45Å; L863-Y867 PolarHBondContact O-N 2.83Å
864	V	72.8	Confident	65.6	Low	79 Å²	79	104.5 Å²	104.5	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-45.6	173.3	167.5	0	0	0	0	110.9	N860 H862 V866 Y867 Y868	N860-V864 VanDerWaalsContact O-CB 3.31Å; N860-V864 WeakPolarHBondContact O-CB 3.47Å; N860-V864 VanDerWaalsContact O-CG2 3.22Å; N860-V864 WeakPolarHBondContact O-CG2 3.32Å; N860-V864 PolarHBondContact O-N 2.74Å; H862-V864 PolarHBondContact O-N 3.21Å; V864-V866 VanDerWaalsContact C-N 3.34Å; V864-V866 PolarHBondContact O-N 2.82Å; V864-Y867 CarbonylContact O-C 3.56Å; V864-Y867 PolarHBondContact O-N 2.73Å; V864-Y867 VanDerWaalsContact O-N 3.13Å; V864-Y868 HydrophobicContact CG1-CD2 4.03Å; V864-Y868 WeakPolarHBondContact O-CB 3.26Å; V864-Y868 WeakPolarHBondContact O-CD2 3.33Å; V864-Y868 PolarHBondContact O-N 2.98Å
865	N	59.9	Low	64.2	Low	85 Å²	85	111.8 Å²	111.8	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-39.9	176.4	-75.3	5.4	0	0	0	112.1	R861 H862 Y867 Y868 M869	R861-N865 WeakPolarHBondContact O-CB 3.43Å; R861-N865 PolarHBondContact O-N 2.86Å; R861-N865 PolarHBondContact O-OD1 2.9Å; H862-N865 PolarHBondContact O-N 3.46Å; N865-Y867 VanDerWaalsContact C-N 3.28Å; N865-Y867 PolarHBondContact O-N 3.18Å; N865-Y868 PolarHBondContact O-N 2.84Å; N865-M869 WeakPolarHBondContact O-CG 3.49Å; N865-M869 PolarHBondContact O-N 2.58Å; N865-M869 VanDerWaalsContact O-N 3.11Å
866	V	59.9	Low	62.3	Low	100 Å²	100	113.6 Å²	113.6	61%	0.606	59%	0.586	S	S	*	*	H	α-helix	trans	-66.2	-28.5	175.4	169.6	0	0	0	0	112.1	H862 L863 V864	H862-V866 WeakPolarHBondContact O-CB 3.25Å; H862-V866 VanDerWaalsContact O-CG2 3.31Å; H862-V866 WeakPolarHBondContact O-CG2 3.41Å; H862-V866 PolarHBondContact O-N 3.36Å; L863-V866 PolarHBondContact O-N 3.01Å; V864-V866 VanDerWaalsContact C-N 3.34Å; V864-V866 PolarHBondContact O-N 2.82Å
867	Y	49.3	Very low	60.3	Low	169 Å²	169	120 Å²	120	66%	0.663	62%	0.621	S	S	*	*	H	α-helix	trans	-89.7	-11.4	176.8	-96.2	-100.9	0	0	0	115.3	L863 V864 N865	L863-Y867 WeakPolarHBondContact O-CB 3Å; L863-Y867 WeakPolarHBondContact O-CD2 3.45Å; L863-Y867 PolarHBondContact O-N 2.83Å; V864-Y867 CarbonylContact O-C 3.56Å; V864-Y867 PolarHBondContact O-N 2.73Å; V864-Y867 VanDerWaalsContact O-N 3.13Å; N865-Y867 VanDerWaalsContact C-N 3.28Å; N865-Y867 PolarHBondContact O-N 3.18Å
868	Y	49.1	Very low	59	Low	184 Å²	184	117.8 Å²	117.8	72%	0.722	62%	0.622	S	S	*	*	H	α-helix	trans	-127.6	10.9	-174.3	-78.7	-81.9	0	0	0	115	V864 N865	V864-Y868 HydrophobicContact CG1-CD2 4.03Å; V864-Y868 WeakPolarHBondContact O-CB 3.26Å; V864-Y868 WeakPolarHBondContact O-CD2 3.33Å; V864-Y868 PolarHBondContact O-N 2.98Å; N865-Y868 PolarHBondContact O-N 2.84Å
869	M	41.1	Very low	57.4	Low	127 Å²	127	122.3 Å²	122.3	63%	0.626	65%	0.647	S	S	*	*			trans	-90.5	96.2	164.3	-68.8	-74.6	86.7	0	0	110.2	N865	N865-M869 WeakPolarHBondContact O-CG 3.49Å; N865-M869 PolarHBondContact O-N 2.58Å; N865-M869 VanDerWaalsContact O-N 3.11Å
870	D	37.2	Very low	55.8	Low	142 Å²	142	127.2 Å²	127.2	76%	0.759	67%	0.672	S	S	*	*			trans	-59.7	134.6	159.2	-102	-46.9	0	0	0	109.1	A872	D870-A872 PolarHBondContact O-N 2.96Å
871	P	42.8	Very low	54.3	Low	133 Å²	133	129 Å²	129	86%	0.864	68%	0.682	S	S	*	*	S	Bend	trans	-77.3	23.9	-176.9	33.3	-37.1	0	0	0	113.5
872	A	44	Very low	52.5	Low	88 Å²	88	125.9 Å²	125.9	73%	0.727	68%	0.682	S	S	*	*			trans	-118.4	47	-161.5	0	0	0	0	0	114.4	D870	D870-A872 PolarHBondContact O-N 2.96Å
873	A	33.2	Very low	50.5	Low	80 Å²	80	131.1 Å²	131.1	66%	0.661	71%	0.713	S	S	*	*			trans	-156.6	124.2	160.9	0	0	0	0	0	111.3
874	P	46.8	Very low	48.5	Very low	132 Å²	132	135.6 Å²	135.6	86%	0.857	74%	0.739	S	S	*	*			trans	-72.3	146.5	172.8	31.2	-34	0	0	0	110.8
875	R	49.9	Very low	46.7	Very low	232 Å²	232	140 Å²	140	88%	0.875	76%	0.759	S	S	*	*			trans	-101.9	102.8	168.2	-59.9	-175.3	-167.4	-155	3.2	108.6
876	G	52.8	Low	45.6	Very low	75 Å²	75	144.6 Å²	144.6	77%	0.773	78%	0.784	S	S	*	*			trans	-72.9	154.9	163.1	0	0	0	0	0	111
877	Q	40.8	Very low	44.3	Very low	273 Å²	273	148.6 Å²	148.6	100%	1.276	80%	0.8	S	S	*	*			trans	-92.6	0	157.8	-72.2	-178.2	-20.1	0	0	108.8

Retrieved 877 of 877 residues in 211.4 ms (Link to these results)

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