A0A5K4FCY7_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,059 aa.

						>A0A5K4FCY7_SCHMA|A0A5K4FCY7
MLSVGQTKTKKLIHRSRSLKNEKHSKIFNESDKNNYDNVHISKRTSKSVTRLPHRSRNYQLNEIQFQSNIHCTNDTKQNCHDDVQFSESVTPFSTLTSTTTITSPLYYSKFRNHKLFTCEKMEGGTLSSGSSLLLSSSSSTITTTTPSPKLYSSNGYFFTPNPILCNNEHVNLSVKDSLQLDSSNDIVNNSECVGSSSIIHNIKSIFNRFVDNLRNRNNFSPSNSISNSNNSGNNNNNGNISNTVKINTNCDKTSTAKLNRLQIPWLTKFTTQEQNRVQQAYTPSTAFITDDASIGMTSVNCTDVIGKHKKFNSFNRSKEDQIPDSIIIHDQNNEICNKQNLIIDNVNTFNQSEPTTQVQYTNTTRDVIQSKENRRKQPDRISCFTTHSSCFCHIHELNPSKTCHNNYQLYPCHSNCNHYHNENSLLPDTSSNFNPLKSTIKDNSKLPYRSNTLHTKSSNTNNPVKLKHTTSSHYHYVKHCSPSLNPRSIPVNRMMSSSPPFTLKHLSTIRNMYEQYEYSTKVNHKNYINHNEISNIEDQSESDFSSPQLSPCDRPRFYSSNMILLKPPNHHPCMKLKYITEQILLAKSVFDVNHPKKRSNSWSVHRGFNLNSYKCERSSNLESEDEFSTCGTGRPSDCEFNIPFNDIKLLRCLQKGERKAIYKGQWHGEVDVHIFEDLSLTERKRFWQDVTRLMMTRHENIALFMGVCVDPPSFAIVTSASKGVSLYNKLHIKREKLSLTMRIYLLRQLANAMTYLHSRNNPIIIRRLSSKNIFLKPKMNLYLMDYSMVDCDYQIPDHVPIPLDGVKYIAPELLLNIKKAIEKLCENNCQSTLKEPKLINTPGYLHNKPHTSIHLFNIHKSRLHYNLTTMKSSIYNPQYINLFKSWSDLSKTIDYPQLTKYISLPNIYLSEQISMYPNEMSKNDKSIQSISPRKVSFIKTIRQFISRSEQKKLLFKCVHIPVTEFTTFSDIFAFGTIIFEINTRCYPYEELDLCHCIKYLLDGQRDDGRAYCIPSYMKILMCKCWSNDPSKRPSMNKITQELTESHGLNRRKNSDPVH
					

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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	34.6	Very low	32.1	Very low	225 Å²	225	150.5 Å²	150.5	100%	1.108	81%	0.808	S	S	*	*				0	117.3	0	-58.1	-175.8	105.6	0	0	106.4
2	L	26.6	Very low	31.8	Very low	161 Å²	161	149.7 Å²	149.7	84%	0.843	80%	0.802	S	S	*	*				73.8	130.5	64.6	-65.8	169.1	0	0	0	111.3
3	S	31.6	Very low	31.3	Very low	101 Å²	101	148.8 Å²	148.8	71%	0.706	80%	0.795	S	S	*	*			cis	-146.2	145.3	-1.4	77.6	0	0	0	0	110.7
4	V	32.1	Very low	31.2	Very low	137 Å²	137	151.6 Å²	151.6	83%	0.83	80%	0.8	S	S	*	*				67.5	126.6	96.6	-177.5	0	0	0	0	115.1
5	G	35.3	Very low	30.8	Very low	79 Å²	79	156.5 Å²	156.5	81%	0.814	80%	0.803	S	S	*	*			trans	-174.1	39.4	179	0	0	0	0	0	114.7
6	Q	33.4	Very low	30.4	Very low	170 Å²	170	153.6 Å²	153.6	79%	0.794	80%	0.801	S	S	*	*			trans	-72.5	157	172.8	-63.9	-174.6	-4.1	0	0	110.6
7	T	33.7	Very low	30.1	Very low	101 Å²	101	158.3 Å²	158.3	62%	0.62	81%	0.806	S	S	*	*				-179	140.4	89.7	29	0	0	0	0	114.7
8	K	30.8	Very low	29.8	Very low	183 Å²	183	155.3 Å²	155.3	80%	0.796	80%	0.802	S	S	*	*			trans	62.1	154.9	138.9	-58.4	162	-171.4	164.8	0	117.3
9	T	33.2	Very low	29.6	Very low	116 Å²	116	154.5 Å²	154.5	71%	0.712	80%	0.798	S	S	*	*			cis	-128.8	145.5	13.9	27.4	0	0	0	0	112.1
10	K	30	Very low	29.5	Very low	192 Å²	192	155.5 Å²	155.5	84%	0.835	80%	0.796	S	S	*	*				45.4	137.7	96.8	-52.2	-179.4	176.9	180	0	113.9
11	K	32	Very low	29.3	Very low	191 Å²	191	154.6 Å²	154.6	83%	0.83	79%	0.793	S	S	*	*			cis	-140.6	164.7	18.4	-107.9	-174	174.6	-179.1	0	107.9
12	L	28	Very low	29	Very low	140 Å²	140	149.7 Å²	149.7	73%	0.733	77%	0.768	S	S	*	*			cis	-157.9	-154.3	-12.4	-138.2	176.1	0	0	0	107.7
13	I	25.4	Very low	29.1	Very low	139 Å²	139	149.1 Å²	149.1	71%	0.713	76%	0.758	S	S	*	*			trans	-136.1	148.7	175.4	-66.3	159.3	0	0	0	107.3
14	H	30.8	Very low	29.2	Very low	187 Å²	187	152.8 Å²	152.8	87%	0.866	76%	0.764	S	S	*	*			trans	-160.8	160.9	140.8	-122.6	-91.3	0	0	0	114
15	R	24.6	Very low	29	Very low	225 Å²	225	150.7 Å²	150.7	85%	0.849	76%	0.755	S	S	*	*			trans	-100.6	158.8	-173.7	-67.5	169.4	158.4	162.3	-9	113.3
16	S	24.7	Very low	28.9	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	75%	0.752	S	S	*	*				110.2	133	128.2	79.2	0	0	0	0	121.3
17	R	25.4	Very low	28.6	Very low	234 Å²	234	153 Å²	153	88%	0.883	75%	0.745	S	S	*	*			trans	60.4	109.5	137.1	-75.7	-179.6	172.1	174.3	-2.9	121.9
18	S	24.4	Very low	28.3	Very low	105 Å²	105	155.9 Å²	155.9	73%	0.734	75%	0.749	S	S	*	*				88.4	161.8	117.2	-151.9	0	0	0	0	119.7
19	L	26.2	Very low	28.1	Very low	140 Å²	140	151.8 Å²	151.8	73%	0.733	74%	0.736	S	S	*	*			trans	68.8	108.4	172.1	-61.3	154.6	0	0	0	113.7
20	K	26.4	Very low	27.8	Very low	173 Å²	173	153.6 Å²	153.6	75%	0.752	74%	0.736	S	S	*	*				83.7	121.2	74.8	-89.3	-165.2	-172.1	179.1	0	112.4
21	N	26.5	Very low	27.7	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	73%	0.726	S	S	*	*			trans	62.9	157.2	143.4	-66.2	27.8	0	0	0	116.6
22	E	27.7	Very low	27.5	Very low	123 Å²	123	145.2 Å²	145.2	58%	0.575	72%	0.717	S	S	*	*			cis	-159.7	166.1	-3	-129	-178.7	168.2	0	0	108.6
23	K	28.8	Very low	27.5	Very low	149 Å²	149	145.6 Å²	145.6	65%	0.648	71%	0.712	S	S	*	*			trans	57.1	137.8	151.1	-67.3	158.5	-173.9	154	0	117.2
24	H	34	Very low	27.6	Very low	178 Å²	178	144.8 Å²	144.8	82%	0.824	71%	0.71	S	S	*	*				-148.6	146	63.9	-107.2	-94.9	0	0	0	114.1
25	S	28.5	Very low	27.4	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	69%	0.694	S	S	*	*			trans	-86.4	165.5	169.1	52.5	0	0	0	0	111.3
26	K	31.5	Very low	27.6	Very low	172 Å²	172	138.8 Å²	138.8	75%	0.748	69%	0.688	S	S	*	*				178.2	133.4	116.4	-96.9	178.4	169.2	-170.1	0	112.9
27	I	28	Very low	27.9	Very low	125 Å²	125	139.8 Å²	139.8	64%	0.641	69%	0.685	S	S	*	*				70.8	133.8	125.4	-65.9	176.2	0	0	0	117.9
28	F	27.3	Very low	27.9	Very low	161 Å²	161	133.6 Å²	133.6	71%	0.706	67%	0.669	S	S	*	*			cis	-160.1	163.3	-3.5	-125.7	-160.5	0	0	0	110.6
29	N	27.2	Very low	28.3	Very low	98 Å²	98	135.4 Å²	135.4	52%	0.524	68%	0.675	S	S	.	*			trans	44.5	161.9	134.5	-64.6	21.1	0	0	0	122
30	E	27.3	Very low	28.4	Very low	154 Å²	154	135.2 Å²	135.2	72%	0.72	67%	0.67	S	S	*	*			cis	-148.2	127.4	-9.5	-121.3	152.7	153.1	0	0	106.1
31	S	26.2	Very low	28.3	Very low	89 Å²	89	133.2 Å²	133.2	62%	0.622	67%	0.667	S	S	*	*				83.6	164.2	95.7	79.8	0	0	0	0	114.4
32	D	28.3	Very low	28.3	Very low	118 Å²	118	131.5 Å²	131.5	63%	0.631	67%	0.666	S	S	*	*			trans	64.6	139	166.2	-70.5	-2.1	0	0	0	119.3
33	K	28	Very low	28.2	Very low	147 Å²	147	135.1 Å²	135.1	64%	0.639	68%	0.679	S	S	*	*			cis	-163.6	165.6	-15.6	-121.7	164.2	-165.8	132.7	0	108
34	N	27.4	Very low	28.2	Very low	122 Å²	122	139.1 Å²	139.1	65%	0.652	69%	0.69	S	S	*	*			trans	45.2	141.3	140.8	-60.7	-2.4	0	0	0	119.9
35	N	27.2	Very low	27.8	Very low	100 Å²	100	136.6 Å²	136.6	54%	0.535	69%	0.688	S	S	.	*			cis	-179.7	168.7	7.1	-113.4	-9.1	0	0	0	108.5
36	Y	28.2	Very low	27.8	Very low	187 Å²	187	137.1 Å²	137.1	73%	0.733	69%	0.692	S	S	*	*			trans	62.5	148.6	154.3	-57.8	-43.1	0	0	0	118.5
37	D	31.3	Very low	27.5	Very low	130 Å²	130	138.6 Å²	138.6	70%	0.695	70%	0.698	S	S	*	*			cis	-142.2	169.3	0.2	-132.1	-35.8	0	0	0	115.7
38	N	26.1	Very low	27.6	Very low	105 Å²	105	138.3 Å²	138.3	56%	0.561	71%	0.707	S	S	*	*			trans	-71	148.6	-175	-65.2	-89.4	0	0	0	114.5
39	V	32.3	Very low	27.5	Very low	142 Å²	142	136.3 Å²	136.3	86%	0.861	71%	0.707	S	S	*	*				-162	111.2	115.6	170.9	0	0	0	0	106.5
40	H	27.5	Very low	27.6	Very low	136 Å²	136	138.2 Å²	138.2	63%	0.63	72%	0.723	S	S	*	*				87.1	106.8	56.5	-89	12.3	0	0	0	117.5
41	I	26	Very low	27.6	Very low	132 Å²	132	141.4 Å²	141.4	68%	0.677	73%	0.728	S	S	*	*				87.7	143.7	122.9	-70.4	175.3	0	0	0	122.1
42	S	26.2	Very low	27.7	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	73%	0.731	S	S	*	*			trans	79.2	125.7	166.8	72.6	0	0	0	0	117
43	K	25.5	Very low	27.6	Very low	198 Å²	198	143.8 Å²	143.8	86%	0.861	74%	0.74	S	S	*	*			cis	78.6	100.2	34	-61.9	178.8	175.8	176	0	115
44	R	29.2	Very low	27.6	Very low	233 Å²	233	144.2 Å²	144.2	88%	0.879	74%	0.744	S	S	*	*			trans	171.4	109.2	133.1	-93.7	160.3	173.7	170.9	-1	108.7
45	T	25.3	Very low	27.6	Very low	125 Å²	125	150 Å²	150	77%	0.767	76%	0.757	S	S	*	*				78.6	166.1	72.3	61.3	0	0	0	0	115.7
46	S	27.3	Very low	27.5	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	76%	0.764	S	S	*	*			trans	71	86.2	169.3	33	0	0	0	0	119
47	K	26.3	Very low	27.6	Very low	203 Å²	203	151.5 Å²	151.5	88%	0.883	77%	0.769	S	S	*	*				13.1	129.5	121.9	-57.7	171.6	-179.8	174.3	0	117
48	S	30	Very low	27.3	Very low	118 Å²	118	152.5 Å²	152.5	83%	0.825	77%	0.774	S	S	*	*			trans	-132.7	134.4	130.9	59.3	0	0	0	0	109.5
49	V	25.6	Very low	27.4	Very low	119 Å²	119	156.6 Å²	156.6	72%	0.721	78%	0.783	S	S	*	*			trans	-115.4	117.1	177.3	170.9	0	0	0	0	107.1	R51	V49-R51 HydrophobicContact CG1-CG 4.37Å
50	T	29.1	Very low	27.2	Very low	138 Å²	138	156.4 Å²	156.4	85%	0.847	77%	0.773	S	S	*	*			trans	-103.6	126.1	168.5	-48	0	0	0	0	108.5
51	R	26.9	Very low	27	Very low	222 Å²	222	158.1 Å²	158.1	84%	0.838	79%	0.785	S	S	*	*			trans	-87.3	143	-170.8	-67.4	177.7	174.7	176.5	-2.6	112.3	V49	V49-R51 HydrophobicContact CG1-CG 4.37Å
52	L	28.6	Very low	27	Very low	130 Å²	130	158.1 Å²	158.1	68%	0.681	79%	0.787	S	S	*	*			trans	-2.9	151.4	142.6	-66.1	166	0	0	0	117.6
53	P	26.2	Very low	26.9	Very low	127 Å²	127	162.1 Å²	162.1	83%	0.825	80%	0.795	S	S	*	*				-117.1	127.8	92	32.8	-33.9	0	0	0	114.1
54	H	26.8	Very low	27	Very low	155 Å²	155	159.5 Å²	159.5	72%	0.718	79%	0.789	S	S	*	*			trans	-63.2	140.7	153.7	-92.7	-77.2	0	0	0	108.6
55	R	28	Very low	26.7	Very low	243 Å²	243	156.5 Å²	156.5	92%	0.917	79%	0.785	S	S	*	*			trans	-124.6	83.4	156.9	-146.2	176.2	-163.4	-177.1	6	109.7
56	S	25.1	Very low	26.9	Very low	97 Å²	97	158.7 Å²	158.7	68%	0.678	78%	0.784	S	S	*	*			trans	-64.3	141.4	169.6	41.2	0	0	0	0	110.5
57	R	30.3	Very low	26.8	Very low	223 Å²	223	161 Å²	161	84%	0.842	78%	0.783	S	S	*	*			trans	-135.8	88.4	158.2	-91.6	-169.8	168.7	178.8	-4.1	108.6
58	N	24.8	Very low	26.7	Very low	151 Å²	151	155.6 Å²	155.6	81%	0.807	77%	0.771	S	S	*	*			trans	-72.7	123	153	-73.3	-5.7	0	0	0	107.1
59	Y	28.9	Very low	26.5	Very low	191 Å²	191	156.4 Å²	156.4	75%	0.749	77%	0.766	S	S	*	*			trans	-124	97.8	141.5	-87.5	-87.1	0	0	0	103.4
60	Q	27.2	Very low	26.6	Very low	137 Å²	137	157.3 Å²	157.3	64%	0.64	77%	0.765	S	S	*	*				63.7	110.3	98.9	-75.9	-175.5	-63.6	0	0	111.3	N62	Q60-N62 PolarHBondContact O-N 3.12Å
61	L	23.7	Very low	26.6	Very low	172 Å²	172	158.6 Å²	158.6	90%	0.901	76%	0.761	S	S	*	*			trans	-59.2	129.8	143.7	-71.5	81	0	0	0	106.3
62	N	26.7	Very low	26.5	Very low	133 Å²	133	153 Å²	153	71%	0.711	76%	0.755	S	S	*	*			trans	-125.3	139.4	147.7	-93	-0.2	0	0	0	106.1	Q60	Q60-N62 PolarHBondContact O-N 3.12Å
63	E	23.4	Very low	26.6	Very low	185 Å²	185	153.4 Å²	153.4	86%	0.864	76%	0.763	S	S	*	*			trans	-65	135.5	169.3	-62.7	162.2	111.5	0	0	108.9
64	I	28.1	Very low	26.6	Very low	143 Å²	143	153.5 Å²	153.5	73%	0.733	76%	0.756	S	S	*	*			trans	-130	100.2	156.8	-63.9	-175.1	0	0	0	107	F66	I64-F66 HydrophobicContact CG2-CD2 3.56Å; I64-F66 HydrophobicContact CG2-CE2 3.99Å; I64-F66 PolarHBondContact O-N 3.01Å
65	Q	23	Very low	26.7	Very low	170 Å²	170	153.2 Å²	153.2	79%	0.794	76%	0.76	S	S	*	*			trans	-69	117.9	157.6	-66.6	175.1	-25.1	0	0	108.1
66	F	27.9	Very low	26.8	Very low	171 Å²	171	148.2 Å²	148.2	75%	0.75	76%	0.757	S	S	*	*			trans	-128.9	97.3	143.7	-88.1	-78.5	0	0	0	105.2	I64	I64-F66 HydrophobicContact CG2-CD2 3.56Å; I64-F66 HydrophobicContact CG2-CE2 3.99Å; I64-F66 PolarHBondContact O-N 3.01Å
67	Q	26.8	Very low	26.8	Very low	152 Å²	152	152.4 Å²	152.4	71%	0.71	76%	0.763	S	S	*	*				58	95.8	90	-72.3	-169.5	-23.8	0	0	111.9
68	S	23.9	Very low	26.8	Very low	90 Å²	90	151 Å²	151	63%	0.629	77%	0.766	S	S	*	*				30.5	118.6	125.2	57.2	0	0	0	0	117.8
69	N	26.2	Very low	26.9	Very low	135 Å²	135	150.6 Å²	150.6	72%	0.722	76%	0.764	S	S	*	*				-175.3	142.1	95	-98.1	-30.1	0	0	0	113.8
70	I	27.3	Very low	26.8	Very low	138 Å²	138	147.6 Å²	147.6	71%	0.708	77%	0.769	S	S	*	*			trans	66.2	134.3	145.7	-60.7	166.8	0	0	0	116.1
71	H	29.7	Very low	26.8	Very low	166 Å²	166	148.5 Å²	148.5	77%	0.769	77%	0.773	S	S	*	*			cis	-125.9	143.1	10.7	-121.8	-62.4	0	0	0	111.5
72	C	23.8	Very low	27.2	Very low	104 Å²	104	147.8 Å²	147.8	70%	0.703	77%	0.77	S	S	*	*			trans	-103.6	152.8	151.6	-64.9	0	0	0	0	109.1
73	T	30.7	Very low	27.1	Very low	138 Å²	138	147.4 Å²	147.4	85%	0.847	77%	0.768	S	S	*	*			trans	-131.6	136.4	150.6	48.4	0	0	0	0	106.1
74	N	25.4	Very low	27.4	Very low	129 Å²	129	144.5 Å²	144.5	69%	0.69	76%	0.763	S	S	*	*			trans	-95.9	-169.4	-160.3	-67.1	-29.8	0	0	0	113.1
75	D	30.4	Very low	27.3	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	77%	0.765	S	S	*	*			trans	84.8	131.2	154.9	-48.5	-44.3	0	0	0	116.4
76	T	30.1	Very low	27.5	Very low	138 Å²	138	146.4 Å²	146.4	85%	0.847	77%	0.766	S	S	*	*			cis	-123.3	154.9	7	45.7	0	0	0	0	113.7
77	K	25.2	Very low	27.3	Very low	186 Å²	186	143.2 Å²	143.2	81%	0.809	77%	0.765	S	S	*	*			trans	-84.5	150.7	167.1	-55.2	170.8	-176.3	170.5	0	110.4
78	Q	30.3	Very low	27.4	Very low	192 Å²	192	144.8 Å²	144.8	90%	0.897	77%	0.772	S	S	*	*				-156.9	149.8	128.8	-146.2	83.5	18.4	0	0	108.6
79	N	25.8	Very low	27.5	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	78%	0.776	S	S	*	*			trans	-91.8	151.4	-176.3	-57.1	-28.7	0	0	0	111.8
80	C	28.2	Very low	27.5	Very low	127 Å²	127	145 Å²	145	86%	0.858	78%	0.778	S	S	*	*			trans	-148.1	115	132.8	-99.6	0	0	0	0	108.3
81	H	27.1	Very low	27.6	Very low	156 Å²	156	144.1 Å²	144.1	72%	0.722	78%	0.78	S	S	*	*			trans	-88.1	138.6	160.5	-103.7	-112.2	0	0	0	107.3	D83	H81-D83 IonicContact CE1-OD2 3.9Å; H81-D83 IonicContact ND1-OD2 3.01Å; H81-D83 PolarHBondContact ND1-OD2 2.58Å
82	D	30.4	Very low	27.6	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	78%	0.777	S	S	*	*			trans	-139.7	107.1	155.3	-92.3	-50.4	0	0	0	107.9	V84	D82-V84 PolarHBondContact O-N 3.28Å
83	D	26.2	Very low	27.9	Very low	126 Å²	126	146.5 Å²	146.5	67%	0.674	79%	0.788	S	S	*	*			trans	-87	107.2	-177.4	-84.6	-79.5	0	0	0	110.5	H81	H81-D83 IonicContact CE1-OD2 3.9Å; H81-D83 IonicContact ND1-OD2 3.01Å; H81-D83 PolarHBondContact ND1-OD2 2.58Å
84	V	29.5	Very low	27.7	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	78%	0.776	S	S	*	*			trans	-110.1	91.7	168	-177.9	0	0	0	0	109.5	D82 F86	D82-V84 PolarHBondContact O-N 3.28Å; V84-F86 HydrophobicContact CG1-CD2 4.02Å; V84-F86 PolarHBondContact O-N 3.44Å
85	Q	25.2	Very low	27.7	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	78%	0.775	S	S	*	*			trans	-70.9	123.9	165.9	-66	-174.5	2.3	0	0	109.8
86	F	27.5	Very low	27.5	Very low	185 Å²	185	143.4 Å²	143.4	81%	0.811	78%	0.776	S	S	*	*			trans	-127.5	91	156.8	-104.1	-80.5	0	0	0	110.1	V84	V84-F86 HydrophobicContact CG1-CD2 4.02Å; V84-F86 PolarHBondContact O-N 3.44Å
87	S	23.5	Very low	27.3	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	77%	0.771	S	S	*	*			trans	-89	105.4	165.7	55.8	0	0	0	0	109.7
88	E	29.9	Very low	27.2	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.864	77%	0.765	S	S	*	*			trans	-112.3	146.8	157.6	-73.2	-158.7	143.1	0	0	110.2
89	S	24.3	Very low	27	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	76%	0.761	S	S	*	*			trans	-156	165.8	-157.8	64.4	0	0	0	0	112.2
90	V	27.8	Very low	26.9	Very low	128 Å²	128	133.9 Å²	133.9	78%	0.776	76%	0.756	S	S	*	*			trans	60.7	149.8	176.3	-109.7	0	0	0	0	113.8
91	T	28.8	Very low	26.7	Very low	121 Å²	121	133.4 Å²	133.4	74%	0.742	75%	0.749	S	S	*	*			cis	-137.8	155.6	14.5	51	0	0	0	0	112.7
92	P	29.2	Very low	26.5	Very low	110 Å²	110	133.6 Å²	133.6	71%	0.714	75%	0.754	S	S	*	*			trans	-105.6	147.1	163.1	37	-28.9	0	0	0	112.2
93	F	31.2	Very low	26.3	Very low	210 Å²	210	130 Å²	130	92%	0.921	74%	0.738	S	S	*	*			trans	-146.6	146.4	163.7	-109.1	-81.4	0	0	0	113.4
94	S	26.2	Very low	26.3	Very low	87 Å²	87	128.1 Å²	128.1	61%	0.608	73%	0.734	S	S	*	*			trans	-110.5	-176.9	167.9	58.6	0	0	0	0	108.8
95	T	25.8	Very low	26.5	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.663	72%	0.723	S	S	*	*			cis	-165.6	164.8	19.2	-23.7	0	0	0	0	108.7
96	L	25.2	Very low	26.4	Very low	155 Å²	155	124.1 Å²	124.1	81%	0.812	72%	0.718	S	S	*	*			trans	68.7	154.9	163.6	-54.5	158.1	0	0	0	115.2
97	T	26	Very low	26.4	Very low	123 Å²	123	124.5 Å²	124.5	76%	0.755	72%	0.715	S	S	*	*			cis	-145.5	157	0.6	-16.6	0	0	0	0	112.2
98	S	23.7	Very low	26.5	Very low	95 Å²	95	128.9 Å²	128.9	66%	0.664	72%	0.717	S	S	*	*			trans	-28.2	136.2	170.5	54.1	0	0	0	0	120.6
99	T	25.1	Very low	26.2	Very low	135 Å²	135	124.1 Å²	124.1	83%	0.828	70%	0.704	S	S	*	*				178.1	162.9	103.3	30.3	0	0	0	0	114.4
100	T	24.2	Very low	26.2	Very low	108 Å²	108	128.7 Å²	128.7	66%	0.663	71%	0.712	S	S	*	*			trans	-36.2	151.7	165.8	51.3	0	0	0	0	116.2
101	T	23.4	Very low	26.1	Very low	117 Å²	117	131.1 Å²	131.1	72%	0.718	71%	0.712	S	S	*	*			cis	-173.2	172.8	16.5	7.6	0	0	0	0	112.2
102	I	24.2	Very low	25.9	Very low	160 Å²	160	135.8 Å²	135.8	82%	0.821	72%	0.716	S	S	*	*			trans	79.6	161	158.1	-68.2	151.9	0	0	0	116.6
103	T	25.7	Very low	25.8	Very low	81 Å²	81	137.1 Å²	137.1	50%	0.497	72%	0.717	S	S	.	*			trans	-120	172.9	-146.6	42.2	0	0	0	0	116.5	E920	T103-E920 WeakPolarHBondContact CB-OE1 3.41Å; T103-E920 WeakPolarHBondContact CG2-OE1 3.47Å; T103-E920 PolarHBondContact OG1-OE1 2.87Å
104	S	26.4	Very low	25.7	Very low	86 Å²	86	133.9 Å²	133.9	60%	0.601	71%	0.705	S	S	*	*			trans	76.4	164.3	176.7	86.7	0	0	0	0	116.7
105	P	32.7	Very low	25.7	Very low	77 Å²	77	138.4 Å²	138.4	50%	0.5	71%	0.713	S	S	.	*			cis	-132.2	-150.4	2.6	40.9	-21	0	0	0	114
106	L	24.1	Very low	25.7	Very low	131 Å²	131	139.7 Å²	139.7	69%	0.686	72%	0.715	S	S	*	*			trans	87.6	108.6	171.1	-50.7	176.6	0	0	0	117.8
107	Y	26.3	Very low	25.7	Very low	193 Å²	193	142.5 Å²	142.5	76%	0.757	72%	0.721	S	S	*	*				-166	156.9	90.2	-118.8	-90.4	0	0	0	114.1
108	Y	26.1	Very low	25.8	Very low	196 Å²	196	142 Å²	142	77%	0.769	72%	0.718	S	S	*	*			trans	-42.1	136.4	-172.8	-91.4	-101.6	0	0	0	119
109	S	23	Very low	25.8	Very low	85 Å²	85	143.5 Å²	143.5	59%	0.594	73%	0.728	S	S	*	*			trans	-77.6	144.1	145.7	56.1	0	0	0	0	110.2
110	K	25.5	Very low	26	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	73%	0.729	S	S	*	*			trans	-140.6	90	162.5	-133.6	173	-171.7	175.1	0	109.1
111	F	25.5	Very low	26.1	Very low	179 Å²	179	149.1 Å²	149.1	79%	0.785	73%	0.734	S	S	*	*			trans	-58.3	135.7	166.4	-86.8	-103.3	0	0	0	108.9
112	R	25.4	Very low	26.2	Very low	219 Å²	219	151.3 Å²	151.3	83%	0.826	74%	0.738	S	S	*	*			trans	-146.4	107.9	158.1	-134.6	-178.5	-167.1	-170.9	2.2	110.1	H114	R112-H114 PolarHBondContact O-N 3.5Å
113	N	27.1	Very low	26.5	Very low	138 Å²	138	153 Å²	153	74%	0.738	74%	0.743	S	S	*	*			trans	-72.5	116.8	172.3	-62.4	-16.6	0	0	0	108.7
114	H	28	Very low	26.5	Very low	142 Å²	142	153.1 Å²	153.1	66%	0.657	76%	0.759	S	S	*	*			trans	-135.9	92.5	157.1	-71.8	-85.2	0	0	0	105.5	R112	R112-H114 PolarHBondContact O-N 3.5Å
115	K	27.5	Very low	26.8	Very low	182 Å²	182	153 Å²	153	79%	0.791	77%	0.772	S	S	*	*				89.1	128.7	72.3	-89.3	-159.6	170.5	-166.6	0	110.3
116	L	24.6	Very low	26.5	Very low	134 Å²	134	155.8 Å²	155.8	70%	0.702	79%	0.787	S	S	*	*			trans	-63.3	145.5	171.7	-58.5	111.1	0	0	0	109.8	F857	L116-F857 HydrophobicContact CD2-CZ 4.39Å
117	F	26	Very low	26.9	Very low	214 Å²	214	157.5 Å²	157.5	94%	0.939	80%	0.797	S	S	*	*			trans	-94.4	89.3	161.4	-90.5	-88.3	0	0	0	108.8
118	T	26.7	Very low	27.1	Very low	112 Å²	112	153.1 Å²	153.1	69%	0.687	79%	0.794	S	S	*	*			trans	-98.9	134.6	157.6	45.4	0	0	0	0	107.6
119	C	23.9	Very low	27.5	Very low	128 Å²	128	149.1 Å²	149.1	87%	0.865	80%	0.795	S	S	*	*			trans	-112.3	108.8	-177	-171.6	0	0	0	0	109.2
120	E	29.1	Very low	28	Very low	185 Å²	185	148.5 Å²	148.5	86%	0.864	80%	0.802	S	S	*	*			trans	-114.1	151.9	171.2	-69.9	176.9	141.1	0	0	108.9
121	K	26.8	Very low	28.4	Very low	175 Å²	175	144.6 Å²	144.6	76%	0.761	80%	0.8	S	S	*	*			trans	-113.1	140.2	-166.1	-98.5	-174.5	172.7	-173.9	0	111.3
122	M	25.6	Very low	28.7	Very low	163 Å²	163	140.4 Å²	140.4	80%	0.803	79%	0.792	S	S	*	*			trans	61.6	157.9	152	-60.2	175.3	177.4	0	0	114.3
123	E	30.7	Very low	29	Very low	197 Å²	197	137.4 Å²	137.4	92%	0.921	79%	0.792	S	S	*	*			cis	-128.6	178.3	20.1	-68	171.8	154.2	0	0	111.9
124	G	26.5	Very low	29	Very low	82 Å²	82	137.5 Å²	137.5	85%	0.845	79%	0.792	S	S	*	*			trans	-134.9	136.1	177.4	0	0	0	0	0	111.8
125	G	31.1	Very low	29.2	Very low	83 Å²	83	137.5 Å²	137.5	86%	0.856	80%	0.796	S	S	*	*			trans	-122.4	132.1	174	0	0	0	0	0	110.9
126	T	27.7	Very low	29.3	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	79%	0.791	S	S	*	*			trans	-93.7	152.8	179.9	50.6	0	0	0	0	112.1
127	L	31.6	Very low	29.5	Very low	168 Å²	168	131.7 Å²	131.7	88%	0.88	79%	0.789	S	S	*	*			trans	-166	173.6	136.6	-106.3	161	0	0	0	112.9
128	S	30.6	Very low	29.8	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	78%	0.78	S	S	*	*			trans	-79	-175.2	-165	59.4	0	0	0	0	115
129	S	35.1	Very low	29.9	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	78%	0.782	S	S	*	*			cis	-165.5	156.3	22.7	44.9	0	0	0	0	115.1
130	G	33.2	Very low	30.4	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	77%	0.774	S	S	*	*			trans	73.9	156.6	159.6	0	0	0	0	0	117.7
131	S	34.3	Very low	30.3	Very low	116 Å²	116	122.3 Å²	122.3	81%	0.811	77%	0.771	S	S	*	*			cis	-174.2	163.9	-2.5	-88.3	0	0	0	0	109.1
132	S	32.1	Very low	30.5	Very low	91 Å²	91	121.6 Å²	121.6	64%	0.636	77%	0.774	S	S	*	*			cis	-178	145.4	-19.4	56.5	0	0	0	0	111
133	L	30.5	Very low	30.5	Very low	155 Å²	155	119.4 Å²	119.4	81%	0.812	77%	0.77	S	S	*	*			trans	69.5	153.9	165.9	-49.1	171.6	0	0	0	116.8
134	L	28.5	Very low	30.4	Very low	141 Å²	141	115.9 Å²	115.9	74%	0.738	76%	0.762	S	S	*	*			cis	-162.7	-175	-16.8	-106.2	171.7	0	0	0	106.3
135	L	31.4	Very low	30.6	Very low	141 Å²	141	117.5 Å²	117.5	74%	0.738	76%	0.756	S	S	*	*			cis	-134.5	156.1	6.7	-83.1	93.2	0	0	0	108.4
136	S	29.4	Very low	30.5	Very low	98 Å²	98	119.9 Å²	119.9	69%	0.685	75%	0.754	S	S	*	*				57	136.9	79.4	108	0	0	0	0	117.2
137	S	28.3	Very low	30.7	Very low	96 Å²	96	118.6 Å²	118.6	67%	0.671	75%	0.748	S	S	*	*			cis	-173.8	172.3	-9.4	44.3	0	0	0	0	113.1
138	S	32.9	Very low	30.3	Very low	106 Å²	106	115.8 Å²	115.8	74%	0.741	74%	0.742	S	S	*	*			trans	66.9	148.9	152.4	40.3	0	0	0	0	121.5
139	S	28.9	Very low	30.2	Very low	105 Å²	105	116.7 Å²	116.7	73%	0.734	75%	0.746	S	S	*	*			cis	-176.4	179.3	-25.7	47.8	0	0	0	0	111.6
140	S	33.2	Very low	29.9	Very low	101 Å²	101	120.9 Å²	120.9	71%	0.706	75%	0.75	S	S	*	*			trans	68.1	113.7	174.3	49.3	0	0	0	0	117.7
141	T	27	Very low	29.4	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	76%	0.755	S	S	*	*				70.3	127.3	70.6	60.9	0	0	0	0	114.3
142	I	31.6	Very low	29	Very low	160 Å²	160	130.3 Å²	130.3	82%	0.821	76%	0.758	S	S	*	*				-146.4	171.6	69	-84.3	165.3	0	0	0	113.6
143	T	26.6	Very low	28.6	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.724	76%	0.759	S	S	*	*			trans	-67.8	156.4	-172.9	47.5	0	0	0	0	116.1
144	T	29	Very low	28.3	Very low	122 Å²	122	127.3 Å²	127.3	75%	0.748	75%	0.75	S	S	*	*				-166.5	152.6	74.9	32.3	0	0	0	0	116.6
145	T	29.5	Very low	28.1	Very low	117 Å²	117	127.7 Å²	127.7	72%	0.718	75%	0.753	S	S	*	*			trans	59.3	102.6	152.5	50.2	0	0	0	0	123.5
146	T	29.7	Very low	27.7	Very low	132 Å²	132	124.5 Å²	124.5	81%	0.81	75%	0.754	S	S	*	*			trans	73.7	149.5	137.2	68.7	0	0	0	0	119.1
147	P	30.5	Very low	27.6	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	76%	0.76	S	S	*	*				-129.1	132.5	-79.1	26.4	-5.9	0	0	0	116.2
148	S	25	Very low	27.3	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	77%	0.771	S	S	*	*			trans	52.9	105.4	147.9	60.6	0	0	0	0	120.5
149	P	28.5	Very low	27	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	77%	0.774	S	S	*	*			trans	-87.9	174	163.8	37.9	-35.4	0	0	0	112.5
150	K	28	Very low	26.8	Very low	200 Å²	200	139.8 Å²	139.8	87%	0.87	78%	0.778	S	S	*	*			trans	-136	87.9	160.3	-75.7	-168.8	177.5	178.5	0	112.7
151	L	22.7	Very low	26.6	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	78%	0.778	S	S	*	*			trans	-67	135.4	144.5	-88.8	126.5	0	0	0	108.2
152	Y	26.8	Very low	26.5	Very low	225 Å²	225	140.6 Å²	140.6	88%	0.882	78%	0.775	S	S	*	*			trans	-144.3	128.1	153	-111.5	-80.4	0	0	0	109.9
153	S	23.4	Very low	26.3	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	76%	0.761	S	S	*	*			trans	-85.2	166.8	177	59.9	0	0	0	0	111.4
154	S	23.2	Very low	26.3	Very low	88 Å²	88	138.1 Å²	138.1	62%	0.615	76%	0.762	S	S	*	*			trans	44.3	96.6	145.4	60.7	0	0	0	0	117.7
155	N	25.5	Very low	26	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	77%	0.765	S	S	*	*				-175	153.3	96.8	-87.6	-32.3	0	0	0	111.7
156	G	23	Very low	25.8	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	77%	0.766	S	S	*	*			trans	-83.5	129.4	-177.4	0	0	0	0	0	112.4
157	Y	26.3	Very low	25.6	Very low	204 Å²	204	140.2 Å²	140.2	80%	0.8	77%	0.766	S	S	*	*			trans	-121.4	136.7	163.9	-84.7	-84.5	0	0	0	110.8	F159	Y157-F159 PolarHBondContact O-N 3.09Å
158	F	22.7	Very low	25.4	Very low	207 Å²	207	142 Å²	142	91%	0.908	77%	0.77	S	S	*	*			trans	-69.8	126.2	174.1	-84.2	-112.1	0	0	0	109.7
159	F	26.5	Very low	25.5	Very low	181 Å²	181	146 Å²	146	79%	0.794	78%	0.776	S	S	*	*			trans	-117.2	109.1	162.3	-85.7	-85.5	0	0	0	110.3	Y157	Y157-F159 PolarHBondContact O-N 3.09Å
160	T	25	Very low	25.4	Very low	134 Å²	134	147.5 Å²	147.5	82%	0.822	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-90.2	121.1	147.8	47.9	0	0	0	0	108.1
161	P	27.4	Very low	25.5	Very low	108 Å²	108	145.2 Å²	145.2	70%	0.701	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-103.1	147.9	163.5	-6.2	27.2	0	0	0	112.1
162	N	26.5	Very low	25.5	Very low	139 Å²	139	143.7 Å²	143.7	74%	0.743	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71.5	167.2	179.8	-64.8	-56.2	0	0	0	112.8	I164	N162-I164 PolarHBondContact O-N 2.78Å
163	P	26.6	Very low	25.6	Very low	81 Å²	81	141.5 Å²	141.5	53%	0.526	77%	0.77	S	S	.	*	P	Polyproline II helix	trans	-68.9	117.9	166.8	-6.2	23.1	0	0	0	109
164	I	26.8	Very low	25.6	Very low	146 Å²	146	142 Å²	142	75%	0.749	77%	0.774	S	S	*	*			trans	-106.4	129.2	174.8	-65.9	175.6	0	0	0	108.4	N162 C166	N162-I164 PolarHBondContact O-N 2.78Å; I164-C166 PolarHBondContact O-N 2.95Å
165	L	22.8	Very low	25.9	Very low	155 Å²	155	144.8 Å²	144.8	81%	0.812	79%	0.787	S	S	*	*			trans	-78.6	113.5	165.5	-72.8	84.9	0	0	0	108.9
166	C	25.7	Very low	25.9	Very low	108 Å²	108	146 Å²	146	73%	0.73	79%	0.785	S	S	*	*			trans	-139.3	127.4	142.6	-81.8	0	0	0	0	105.2	I164	I164-C166 PolarHBondContact O-N 2.95Å
167	N	24.9	Very low	26.2	Very low	151 Å²	151	149 Å²	149	81%	0.807	78%	0.783	S	S	*	*				60.8	135.3	65.5	-73.4	2.2	0	0	0	113.2
168	N	25.3	Very low	26.2	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	77%	0.774	S	S	*	*			trans	-49.2	145.9	-173.9	-47.3	-34.9	0	0	0	113.2
169	E	27.8	Very low	26.5	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	76%	0.763	S	S	*	*			trans	-154.4	165.5	130.5	-124.3	164.7	-136.8	0	0	112.6
170	H	26.2	Very low	26.5	Very low	150 Å²	150	136.1 Å²	136.1	69%	0.694	75%	0.749	S	S	*	*			trans	-90.8	148.3	-163.9	-72.7	-131	0	0	0	112.8
171	V	29.6	Very low	26.7	Very low	151 Å²	151	134.5 Å²	134.5	92%	0.915	74%	0.735	S	S	*	*			trans	-118.8	107.1	150.3	-179.8	0	0	0	0	107.4
172	N	24	Very low	26.7	Very low	131 Å²	131	134.4 Å²	134.4	70%	0.701	73%	0.728	S	S	*	*			trans	-71.1	142.9	-174.6	-68.7	-50.9	0	0	0	112.5
173	L	27.8	Very low	26.8	Very low	178 Å²	178	130.8 Å²	130.8	93%	0.932	71%	0.714	S	S	*	*			trans	-145.8	118.2	145.9	-102.6	169.3	0	0	0	107.7
174	S	24	Very low	27.1	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	71%	0.713	S	S	*	*			trans	-76.8	147.1	-167.3	58.6	0	0	0	0	114.4
175	V	29	Very low	27.2	Very low	147 Å²	147	129.5 Å²	129.5	89%	0.891	71%	0.71	S	S	*	*				-140.3	158.8	114.1	178.1	0	0	0	0	107.3
176	K	25.1	Very low	27.5	Very low	175 Å²	175	126.6 Å²	126.6	76%	0.761	70%	0.695	S	S	*	*			trans	-86.1	174.9	-168.4	-63.8	-178	175.5	-177	0	115.1
177	D	30.2	Very low	27.6	Very low	137 Å²	137	126.8 Å²	126.8	73%	0.733	69%	0.688	S	S	*	*			trans	87.5	137.1	151.3	-58.6	-49	0	0	0	120
178	S	27.4	Very low	27.7	Very low	88 Å²	88	124.7 Å²	124.7	62%	0.615	68%	0.68	S	S	*	*			cis	-173	151.5	-24.7	-107	0	0	0	0	110.1
179	L	27.7	Very low	27.8	Very low	126 Å²	126	124.8 Å²	124.8	66%	0.66	68%	0.681	S	S	*	*			trans	69.2	152.9	166.5	-57	165.9	0	0	0	119.1
180	Q	27.6	Very low	27.7	Very low	108 Å²	108	123 Å²	123	51%	0.505	68%	0.677	S	S	.	*			cis	-173.2	145.3	-41.3	-117.6	-172.2	-9.4	0	0	110.9
181	L	27.6	Very low	27.9	Very low	100 Å²	100	121.7 Å²	121.7	52%	0.524	69%	0.685	S	S	.	*			trans	60.9	167.1	146.8	-59.3	172.5	0	0	0	119.5	T283	L181-T283 PolarHBondContact N-OG1 2.87Å; L181-T283 VanDerWaalsContact N-OG1 3.12Å
182	D	29	Very low	27.7	Very low	105 Å²	105	123 Å²	123	56%	0.561	68%	0.681	S	S	*	*			cis	-143.7	-178.7	-9	-136.9	-43.7	0	0	0	113.2	Y282	D182-Y282 VanDerWaalsContact C-OH 3.25Å; D182-Y282 WeakPolarHBondContact O-CE1 3.34Å; D182-Y282 PolarHBondContact O-OH 3.29Å
183	S	28.1	Very low	27.7	Very low	64 Å²	64	122.2 Å²	122.2	45%	0.448	69%	0.685	S	S	.	*			trans	-117	-170.7	-136	58.6	0	0	0	0	119.3	Y282	S183-Y282 WeakPolarHBondContact CA-OH 3.19Å
184	S	31.5	Very low	27.8	Very low	73 Å²	73	120.6 Å²	120.6	51%	0.51	68%	0.682	S	S	.	*			trans	92.5	138.6	159.4	83.1	0	0	0	0	120.3	Q280	S184-Q280 VanDerWaalsContact N-OE1 3.09Å; S184-Q280 PolarHBondContact O-NE2 3.02Å; S184-Q280 PolarHBondContact O-OE1 3.22Å; S184-Q280 VanDerWaalsContact O-OE1 3.09Å
185	N	29.2	Very low	27.9	Very low	127 Å²	127	118.7 Å²	118.7	68%	0.679	68%	0.679	S	S	*	*			cis	-167.9	169.8	-14.7	-121.7	23.6	0	0	0	114.9
186	D	29.9	Very low	28	Very low	94 Å²	94	117.7 Å²	117.7	50%	0.503	68%	0.678	S	S	.	*			trans	77.3	120.5	138.8	-66.1	-25.3	0	0	0	128.3	R277	D186-R277 PolarHBondContact O-NE 2.68Å; D186-R277 PolarHBondContact O-NH2 2.73Å
187	I	27.3	Very low	28.1	Very low	112 Å²	112	115.5 Å²	115.5	57%	0.574	69%	0.685	S	S	*	*				78.6	98.9	117	-60.7	171	0	0	0	123.6	R277	I187-R277 PolarHBondContact O-NH2 2.96Å
188	V	27.2	Very low	28.1	Very low	106 Å²	106	113.8 Å²	113.8	64%	0.642	68%	0.683	S	S	*	*				31.5	128.9	120	-170.2	0	0	0	0	121.2
189	N	28.6	Very low	28.2	Very low	151 Å²	151	115.5 Å²	115.5	81%	0.807	69%	0.685	S	S	*	*				-173.9	160.3	117	-102.8	-55.4	0	0	0	115
190	N	24.5	Very low	28.2	Very low	154 Å²	154	117.6 Å²	117.6	82%	0.824	70%	0.695	S	S	*	*			trans	-109.6	152.3	-177.1	-61	-50.9	0	0	0	112.2
191	S	30.4	Very low	28.5	Very low	123 Å²	123	120.3 Å²	120.3	86%	0.86	71%	0.707	S	S	*	*			trans	-156.9	143.6	151.4	60.6	0	0	0	0	112.7
192	E	25	Very low	28.9	Very low	180 Å²	180	120.2 Å²	120.2	84%	0.841	71%	0.707	S	S	*	*			trans	-84.5	168.7	-161.5	-56	174.8	119.5	0	0	116.9
193	C	24.8	Very low	29.2	Very low	114 Å²	114	121.9 Å²	121.9	77%	0.77	71%	0.714	S	S	*	*			trans	53	126.5	140.5	-70.4	0	0	0	0	122.4
194	V	30.2	Very low	29.3	Very low	144 Å²	144	127.3 Å²	127.3	87%	0.873	73%	0.73	S	S	*	*				-178.6	147.1	98.9	154.2	0	0	0	0	108.7
195	G	25	Very low	29.5	Very low	65 Å²	65	126.9 Å²	126.9	67%	0.67	73%	0.727	S	S	*	*			trans	-98.6	166.4	-175.5	0	0	0	0	0	115.2
196	S	31	Very low	30.1	Very low	126 Å²	126	126.5 Å²	126.5	88%	0.881	72%	0.723	S	S	*	*			trans	-154.1	129.4	167.2	-78	0	0	0	0	111
197	S	26.9	Very low	30.3	Very low	128 Å²	128	128.8 Å²	128.8	90%	0.895	73%	0.729	S	S	*	*			trans	-95.4	112.7	-174.9	46	0	0	0	0	112.6
198	S	30.2	Very low	30.8	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	73%	0.727	S	S	*	*			trans	-155.2	-177.8	164	66.4	0	0	0	0	111.4	I200	S198-I200 PolarHBondContact O-N 3.45Å
199	I	30.4	Very low	31.4	Very low	125 Å²	125	132 Å²	132	64%	0.641	73%	0.73	S	S	*	*			trans	64.4	31.7	177.4	-28.1	-177.4	0	0	0	116.1	H201 N202	I199-H201 PolarHBondContact O-N 3.48Å; I199-N202 HydrophobicContact CG2-CB 4.32Å
200	I	28.7	Very low	31.6	Very low	170 Å²	170	131.3 Å²	131.3	87%	0.872	72%	0.72	S	S	*	*	S	Bend	trans	-75.5	-7.9	165.9	-83.1	176.8	0	0	0	113.2	S198	S198-I200 PolarHBondContact O-N 3.45Å
201	H	32	Very low	32.4	Very low	165 Å²	165	126.5 Å²	126.5	76%	0.764	70%	0.696	S	S	*	*	S	Bend	trans	-105.9	-13.6	-166	-133.3	-86.2	0	0	0	117.6	I199	I199-H201 PolarHBondContact O-N 3.48Å
202	N	36	Very low	32.8	Very low	97 Å²	97	124.4 Å²	124.4	52%	0.519	68%	0.675	S	S	.	*	S	Bend	trans	-89.6	-25.9	-169.5	-80.7	-14.9	0	0	0	115.9	I199 K204 S205 I206	I199-N202 HydrophobicContact CG2-CB 4.32Å; N202-K204 PolarHBondContact O-N 2.73Å; N202-S205 PolarHBondContact O-N 2.72Å; N202-I206 PolarHBondContact O-N 3.48Å
203	I	35.2	Very low	33.3	Very low	140 Å²	140	121.3 Å²	121.3	72%	0.718	67%	0.665	S	S	*	*	H	α-helix	trans	-68.6	-32.4	-169.9	-63.3	176.2	0	0	0	112.7	F207	I203-F207 PolarHBondContact O-N 3.16Å
204	K	32	Very low	33.8	Very low	178 Å²	178	121.9 Å²	121.9	77%	0.774	66%	0.659	S	S	*	*	H	α-helix	trans	-69.2	-34.8	174.9	-80.3	-173	173.5	-176.8	0	113.7	N202 N208	N202-K204 PolarHBondContact O-N 2.73Å; K204-N208 PolarHBondContact O-N 2.73Å
205	S	35.7	Very low	34.1	Very low	64 Å²	64	123.7 Å²	123.7	45%	0.448	65%	0.65	S	S	.	*	H	α-helix	trans	-66.5	-43.3	-178.5	-176.2	0	0	0	0	111.4	N202 R209	N202-S205 PolarHBondContact O-N 2.72Å; S205-R209 PolarHBondContact O-N 3.45Å; S205-R209 VanDerWaalsContact O-N 3.09Å
206	I	40.1	Very low	34.6	Very low	119 Å²	119	127.3 Å²	127.3	61%	0.61	65%	0.654	S	S	*	*	H	α-helix	trans	-66.8	-42.4	179.5	-62	171	0	0	0	111	N202 R209 F210	N202-I206 PolarHBondContact O-N 3.48Å; I206-R209 PolarHBondContact O-N 3.49Å; I206-F210 PolarHBondContact O-N 3.35Å
207	F	34.2	Very low	34.6	Very low	143 Å²	143	132 Å²	132	63%	0.627	65%	0.653	S	S	*	*	H	α-helix	trans	-65.1	-43.5	179.7	-163	-93.2	0	0	0	112.5	I203 F210 V211	I203-F207 PolarHBondContact O-N 3.16Å; F207-F210 PolarHBondContact O-N 3.32Å; F207-V211 HydrophobicContact CD1-CG2 4.12Å; F207-V211 HydrophobicContact CE1-CG2 3.88Å; F207-V211 WeakPolarHBondContact O-CG2 3.34Å; F207-V211 PolarHBondContact O-N 3.29Å
208	N	39.6	Very low	34.8	Very low	99 Å²	99	132.8 Å²	132.8	53%	0.529	65%	0.647	S	S	.	*	H	α-helix	trans	-63.8	-46.8	176.4	-73.2	7.3	0	0	0	111.4	K204 F210 V211 D212	K204-N208 PolarHBondContact O-N 2.73Å; N208-F210 PolarHBondContact O-N 3.28Å; N208-F210 VanDerWaalsContact O-N 3.16Å; N208-V211 PolarHBondContact O-N 2.98Å; N208-D212 PolarHBondContact O-N 2.99Å
209	R	38.9	Very low	34.7	Very low	185 Å²	185	135 Å²	135	70%	0.698	65%	0.651	S	S	*	*	H	α-helix	trans	-58.7	-28.3	175	-81.1	-176	167.2	-176	-3.3	113.4	S205 I206 N213	S205-R209 PolarHBondContact O-N 3.45Å; S205-R209 VanDerWaalsContact O-N 3.09Å; I206-R209 PolarHBondContact O-N 3.49Å; R209-N213 PolarHBondContact O-N 3.1Å; R209-N213 PolarHBondContact O-ND2 2.74Å
210	F	32.3	Very low	34.7	Very low	138 Å²	138	138.1 Å²	138.1	61%	0.605	66%	0.66	S	S	*	*	H	α-helix	trans	-75	-40.2	173.8	-165.4	-99.7	0	0	0	112.3	I206 F207 N208 L214	I206-F210 PolarHBondContact O-N 3.35Å; F207-F210 PolarHBondContact O-N 3.32Å; N208-F210 PolarHBondContact O-N 3.28Å; N208-F210 VanDerWaalsContact O-N 3.16Å; F210-L214 HydrophobicContact CD1-CD1 3.98Å; F210-L214 HydrophobicContact CE1-CD1 3.71Å; F210-L214 HydrophobicContact CZ-CD1 4.44Å; F210-L214 WeakPolarHBondContact O-CG 3.37Å; F210-L214 PolarHBondContact O-N 3.12Å
211	V	41.6	Very low	34.7	Very low	52 Å²	52	135.4 Å²	135.4	32%	0.315	66%	0.656	S	S	.	*	H	α-helix	trans	-68.3	-38.6	176.9	172.4	0	0	0	0	112.1	F207 N208 L214 R215	F207-V211 HydrophobicContact CD1-CG2 4.12Å; F207-V211 HydrophobicContact CE1-CG2 3.88Å; F207-V211 WeakPolarHBondContact O-CG2 3.34Å; F207-V211 PolarHBondContact O-N 3.29Å; N208-V211 PolarHBondContact O-N 2.98Å; V211-L214 PolarHBondContact O-N 3.28Å; V211-R215 PolarHBondContact O-N 3.49Å
212	D	39.3	Very low	34.5	Very low	79 Å²	79	133.6 Å²	133.6	42%	0.422	66%	0.659	S	S	.	*	H	α-helix	trans	-70.5	-38	179.5	-63.9	-34.8	0	0	0	111.9	N208 L214 R215 N216	N208-D212 PolarHBondContact O-N 2.99Å; D212-L214 PolarHBondContact O-N 2.91Å; D212-R215 PolarHBondContact O-N 3.23Å; D212-N216 PolarHBondContact O-N 3.42Å
213	N	35.8	Very low	34.2	Very low	116 Å²	116	134.7 Å²	134.7	62%	0.62	68%	0.675	S	S	*	*	H	α-helix	trans	-64.6	-23.5	172.4	-85.9	-70.3	0	0	0	113.5	R209	R209-N213 PolarHBondContact O-N 3.1Å; R209-N213 PolarHBondContact O-ND2 2.74Å
214	L	35	Very low	33.7	Very low	125 Å²	125	135.6 Å²	135.6	65%	0.654	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-9.7	172.6	-71.6	171.5	0	0	0	113.6	F210 V211 D212	F210-L214 HydrophobicContact CD1-CD1 3.98Å; F210-L214 HydrophobicContact CE1-CD1 3.71Å; F210-L214 HydrophobicContact CZ-CD1 4.44Å; F210-L214 WeakPolarHBondContact O-CG 3.37Å; F210-L214 PolarHBondContact O-N 3.12Å; V211-L214 PolarHBondContact O-N 3.28Å; D212-L214 PolarHBondContact O-N 2.91Å
215	R	35.7	Very low	33.6	Very low	182 Å²	182	132.3 Å²	132.3	69%	0.687	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-28.4	173.4	-77.7	177.7	162.9	176.9	-6.8	113.3	V211 D212 R217	V211-R215 PolarHBondContact O-N 3.49Å; D212-R215 PolarHBondContact O-N 3.23Å; R215-R217 VanDerWaalsContact C-N 3.27Å; R215-R217 PolarHBondContact O-N 3.37Å
216	N	36.4	Very low	33.1	Very low	141 Å²	141	137 Å²	137	75%	0.754	70%	0.699	S	S	*	*	S	Bend	trans	-85.8	22	-176.6	-69.8	-6.5	0	0	0	114.9	D212	D212-N216 PolarHBondContact O-N 3.42Å
217	R	30.4	Very low	32.7	Very low	224 Å²	224	136.9 Å²	136.9	85%	0.845	71%	0.709	S	S	*	*			trans	-124.9	53	173.4	-73.3	-166.2	175.2	-162.3	-1.2	112.9	R215	R215-R217 VanDerWaalsContact C-N 3.27Å; R215-R217 PolarHBondContact O-N 3.37Å
218	N	30.5	Very low	32.4	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	72%	0.717	S	S	*	*			trans	-135.2	93.3	161.1	-86.1	-37.8	0	0	0	107.6
219	N	29.5	Very low	32.1	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	73%	0.729	S	S	*	*			trans	-164.1	144.7	167.7	-112.7	-16.5	0	0	0	112.5
220	F	30.2	Very low	31.6	Very low	190 Å²	190	136.1 Å²	136.1	83%	0.833	73%	0.734	S	S	*	*			trans	71.5	134.2	173.4	-66.5	-72.7	0	0	0	120.9
221	S	27.3	Very low	31.5	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	74%	0.742	S	S	*	*			trans	-102	176.3	-174.2	-37.8	0	0	0	0	110.4
222	P	29.6	Very low	30.9	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	76%	0.763	S	S	*	*			trans	-91.8	161	-168.1	36.8	-35.7	0	0	0	114.9
223	S	28.7	Very low	30.4	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	78%	0.783	S	S	*	*			trans	-151.3	153.9	159.4	55.3	0	0	0	0	110.8
224	N	25.6	Very low	30.1	Very low	158 Å²	158	140.5 Å²	140.5	85%	0.845	79%	0.789	S	S	*	*			trans	-94.6	149.9	-177.9	-62	-29.6	0	0	0	111.6
225	S	28.9	Very low	29.8	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	79%	0.789	S	S	*	*				177.4	119.5	126.4	34	0	0	0	0	115.1
226	I	25.7	Very low	29.4	Very low	164 Å²	164	137.4 Å²	137.4	84%	0.841	79%	0.787	S	S	*	*			trans	29.4	122.8	131.1	-55	167.7	0	0	0	119.3
227	S	31.2	Very low	28.9	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	78%	0.784	S	S	*	*			trans	-163.9	139.8	131.8	23.3	0	0	0	0	111.3
228	N	27.6	Very low	28.8	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	79%	0.785	S	S	*	*			trans	-96.3	150.2	-179.3	-76	-15.5	0	0	0	111.9
229	S	33.1	Very low	28.8	Very low	113 Å²	113	130 Å²	130	79%	0.79	78%	0.779	S	S	*	*			trans	-168.4	96.5	144.1	16	0	0	0	0	113.7
230	N	28.4	Very low	28.7	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	78%	0.781	S	S	*	*				53.8	160.8	129	-59.4	2.6	0	0	0	123.5
231	N	31.6	Very low	28.7	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	77%	0.774	S	S	*	*			trans	82.5	86.9	159	-67.2	1.1	0	0	0	119.4
232	S	28.6	Very low	28.7	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	77%	0.768	S	S	*	*				57.6	110.5	117.7	65	0	0	0	0	118.3
233	G	27.3	Very low	28.8	Very low	81 Å²	81	127.1 Å²	127.1	84%	0.835	76%	0.763	S	S	*	*			trans	-70.5	174.9	172.4	0	0	0	0	0	114.1
234	N	29.6	Very low	28.8	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	76%	0.756	S	S	*	*			trans	-149.2	143.2	160.8	-141.4	-20.6	0	0	0	110.8
235	N	29.5	Very low	29	Very low	120 Å²	120	124.6 Å²	124.6	64%	0.642	75%	0.748	S	S	*	*			trans	27.8	125.9	161.1	-69.9	-34.1	0	0	0	121.4
236	N	27.9	Very low	28.8	Very low	121 Å²	121	128.1 Å²	128.1	65%	0.647	75%	0.749	S	S	*	*				65.1	111.3	63	-69.4	-51.2	0	0	0	115.1
237	N	26.1	Very low	28.9	Very low	130 Å²	130	126.7 Å²	126.7	70%	0.695	74%	0.742	S	S	*	*			trans	66.1	164.5	131.8	-59.1	-31.4	0	0	0	120.4
238	N	28.7	Very low	28.7	Very low	162 Å²	162	127.5 Å²	127.5	87%	0.866	74%	0.738	S	S	*	*			trans	70.8	125	170.6	-47.4	-40.4	0	0	0	114.7
239	G	29	Very low	28.7	Very low	63 Å²	63	125.4 Å²	125.4	65%	0.649	73%	0.73	S	S	*	*			cis	157.7	-164.5	-1.7	0	0	0	0	0	110.2
240	N	27.9	Very low	28.4	Very low	155 Å²	155	127.1 Å²	127.1	83%	0.829	73%	0.731	S	S	*	*			trans	67	156.1	160.6	-65.9	-12.9	0	0	0	116.1
241	I	31.1	Very low	28.3	Very low	133 Å²	133	125.3 Å²	125.3	68%	0.682	73%	0.728	S	S	*	*			cis	-149.7	134.1	-9	-125	163.9	0	0	0	110.6
242	S	27.5	Very low	28	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	72%	0.721	S	S	*	*			trans	62.2	174.2	155.5	85.9	0	0	0	0	118.1
243	N	30.9	Very low	27.9	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	72%	0.718	S	S	*	*			cis	-148.9	171.1	-3.2	-137	-14	0	0	0	112.8
244	T	28.3	Very low	28	Very low	112 Å²	112	129.8 Å²	129.8	69%	0.687	72%	0.722	S	S	*	*			trans	-4.1	150.4	153.9	52.1	0	0	0	0	120.1
245	V	29.4	Very low	27.7	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.685	72%	0.718	S	S	*	*			cis	-162	129.9	9.4	113.2	0	0	0	0	107.1
246	K	24.9	Very low	27.5	Very low	182 Å²	182	128 Å²	128	79%	0.791	73%	0.725	S	S	*	*				78.2	144	81.1	-144.9	-172.1	-173.2	-179.3	0	114.3
247	I	28.8	Very low	27.4	Very low	135 Å²	135	126.7 Å²	126.7	69%	0.692	73%	0.731	S	S	*	*			trans	99.3	111.7	160.4	-60.2	162.4	0	0	0	119
248	N	26.4	Very low	27.5	Very low	133 Å²	133	130 Å²	130	71%	0.711	74%	0.739	S	S	*	*			trans	56.8	115.7	140.8	-65.9	13	0	0	0	121.4
249	T	26.8	Very low	27.4	Very low	104 Å²	104	129.5 Å²	129.5	64%	0.638	74%	0.736	S	S	*	*				83	135.5	72.7	68.1	0	0	0	0	115.1
250	N	27.7	Very low	27.4	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	74%	0.742	S	S	*	*			trans	66.1	161.3	167.7	-53.8	-12.9	0	0	0	114.5
251	C	26.2	Very low	27.4	Very low	110 Å²	110	137.3 Å²	137.3	74%	0.743	75%	0.745	S	S	*	*			cis	-152.1	164.5	-32.7	-112.2	0	0	0	0	109
252	D	26.4	Very low	27.3	Very low	115 Å²	115	137.7 Å²	137.7	62%	0.615	75%	0.748	S	S	*	*			trans	54.9	127.3	153.9	-88.4	-26.6	0	0	0	123
253	K	26.2	Very low	27.4	Very low	165 Å²	165	140.8 Å²	140.8	72%	0.717	75%	0.751	S	S	*	*			trans	47.8	96.7	133.3	-54.1	170.5	-175.4	91.2	0	118.7
254	T	28.1	Very low	27.4	Very low	150 Å²	150	141.6 Å²	141.6	92%	0.92	75%	0.754	S	S	*	*			trans	-160.9	170.1	132.5	5.6	0	0	0	0	112.8
255	S	24.2	Very low	27.7	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	75%	0.751	S	S	*	*			trans	-83.6	160.1	-167.4	48.7	0	0	0	0	115.9
256	T	24.9	Very low	27.7	Very low	129 Å²	129	146.4 Å²	146.4	79%	0.791	76%	0.76	S	S	*	*			trans	63	126.9	146.6	47.1	0	0	0	0	121.7
257	A	25.7	Very low	27.9	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	76%	0.757	S	S	*	*			trans	61	102.9	140.5	0	0	0	0	0	121.1
258	K	28.7	Very low	27.9	Very low	200 Å²	200	143.4 Å²	143.4	87%	0.87	76%	0.758	S	S	*	*			trans	-156.7	121.1	134.3	-100.8	147.5	-176	174.6	0	107.4
259	L	27	Very low	28	Very low	151 Å²	151	146.3 Å²	146.3	79%	0.791	76%	0.764	S	S	*	*				73.3	106.7	70.7	-93.2	167.7	0	0	0	115.1
260	N	28.2	Very low	28.1	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	78%	0.776	S	S	*	*			trans	-11.1	147.8	154.8	-47	-18.9	0	0	0	118.5
261	R	27.2	Very low	28.1	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	77%	0.772	S	S	*	*				-164.3	171.4	127.7	-111.4	166.6	-172.1	-162.5	0.7	113.5
262	L	29.7	Very low	28.1	Very low	142 Å²	142	150.6 Å²	150.6	74%	0.743	78%	0.775	S	S	*	*			trans	72.8	101.7	-178.6	-45.8	-177.8	0	0	0	113.5
263	Q	29.8	Very low	28.2	Very low	161 Å²	161	154.1 Å²	154.1	75%	0.752	79%	0.788	S	S	*	*				82.5	147.5	55.2	-66.4	174.7	-59.3	0	0	112.8
264	I	30.3	Very low	28.2	Very low	151 Å²	151	154 Å²	154	77%	0.774	79%	0.79	S	S	*	*			cis	-144	169.8	21.1	-133.1	143.7	0	0	0	111.8
265	P	34.3	Very low	28.1	Very low	98 Å²	98	155.9 Å²	155.9	64%	0.636	79%	0.789	S	S	*	*			trans	-125.4	-169.9	-153.3	46.1	-36	0	0	0	116.6
266	W	29.6	Very low	28.3	Very low	229 Å²	229	157.9 Å²	157.9	87%	0.867	79%	0.792	S	S	*	*			trans	173.4	142.2	141.4	-101.8	46.3	0	0	0	107.5
267	L	29.8	Very low	28.4	Very low	137 Å²	137	160 Å²	160	72%	0.717	79%	0.785	S	S	*	*			cis	-126.7	151.3	-9.4	-53.6	89.2	0	0	0	107.1
268	T	29.3	Very low	28.4	Very low	116 Å²	116	161.6 Å²	161.6	71%	0.712	79%	0.785	S	S	*	*			cis	93.4	131.2	26.8	-47.1	0	0	0	0	114.3
269	K	28.5	Very low	28.3	Very low	194 Å²	194	161.1 Å²	161.1	84%	0.843	79%	0.786	S	S	*	*			trans	78.7	117.3	-162.5	-55.9	178.8	179.2	-178.7	0	113
270	F	27.3	Very low	28.2	Very low	205 Å²	205	158.8 Å²	158.8	90%	0.899	77%	0.771	S	S	*	*			cis	-107	154.3	6.8	-96.3	-107.3	0	0	0	113.8
271	T	28.3	Very low	28.1	Very low	117 Å²	117	155.8 Å²	155.8	72%	0.718	77%	0.766	S	S	*	*			trans	-147	173.8	169.1	46.8	0	0	0	0	109.5
272	T	27.1	Very low	28.1	Very low	132 Å²	132	149.9 Å²	149.9	81%	0.81	75%	0.745	S	S	*	*			trans	62.9	65.2	166.8	55.2	0	0	0	0	118.2
273	Q	27.1	Very low	28	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	73%	0.729	S	S	*	*	S	Bend	trans	-159.1	166.9	131.3	-109.9	166.3	-16.7	0	0	108.7
274	E	27	Very low	28	Very low	161 Å²	161	144 Å²	144	75%	0.752	73%	0.728	S	S	*	*			trans	57.9	51.3	-170.7	-61.9	-58.2	87.8	0	0	115.9
275	Q	26.8	Very low	27.9	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	72%	0.716	S	S	*	*			trans	-103.9	80	140.2	-77.9	-164.8	-76.4	0	0	109.2
276	N	27	Very low	27.5	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	73%	0.726	S	S	*	*			trans	-168.9	156.1	159.7	-96.3	-32	0	0	0	108.8
277	R	26.8	Very low	27.4	Very low	173 Å²	173	135.1 Å²	135.1	65%	0.653	72%	0.716	S	S	*	*	S	Bend	trans	62.7	116.3	-174.5	-62.1	175.1	170.6	164.9	-4.2	114.4	D186 I187	D186-R277 PolarHBondContact O-NE 2.68Å; D186-R277 PolarHBondContact O-NH2 2.73Å; I187-R277 PolarHBondContact O-NH2 2.96Å
278	V	27	Very low	27.2	Very low	127 Å²	127	137.9 Å²	137.9	77%	0.77	72%	0.722	S	S	*	*			cis	-136.6	114	-4.6	178.8	0	0	0	0	109.3
279	Q	25.7	Very low	27.1	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	72%	0.724	S	S	*	*			trans	-91.8	136.1	137.1	-71.9	-177.3	-83.5	0	0	107
280	Q	25.1	Very low	27	Very low	102 Å²	102	134.8 Å²	134.8	48%	0.477	71%	0.713	S	S	.	*			trans	169.5	165.9	143.2	-97.5	174.3	13.2	0	0	110.1	S184	S184-Q280 VanDerWaalsContact N-OE1 3.09Å; S184-Q280 PolarHBondContact O-NE2 3.02Å; S184-Q280 PolarHBondContact O-OE1 3.22Å; S184-Q280 VanDerWaalsContact O-OE1 3.09Å
281	A	26.8	Very low	27	Very low	81 Å²	81	131.4 Å²	131.4	67%	0.669	70%	0.704	S	S	*	*			trans	69.6	130.9	162.7	0	0	0	0	0	121.5
282	Y	26.9	Very low	26.9	Very low	113 Å²	113	133.1 Å²	133.1	44%	0.443	71%	0.709	S	S	.	*			cis	-147.5	168	-29.7	-108.1	-54.1	0	0	0	111.9	D182 S183	D182-Y282 VanDerWaalsContact C-OH 3.25Å; D182-Y282 WeakPolarHBondContact O-CE1 3.34Å; D182-Y282 PolarHBondContact O-OH 3.29Å; S183-Y282 WeakPolarHBondContact CA-OH 3.19Å
283	T	27	Very low	27	Very low	67 Å²	67	130.2 Å²	130.2	41%	0.411	70%	0.698	S	S	.	*			trans	-60.3	157.4	169.5	50	0	0	0	0	113.5	L181	L181-T283 PolarHBondContact N-OG1 2.87Å; L181-T283 VanDerWaalsContact N-OG1 3.12Å
284	P	30.8	Very low	26.9	Very low	113 Å²	113	125.9 Å²	125.9	73%	0.734	69%	0.689	S	S	*	*			trans	-86.5	139.8	174.4	34.9	-33.4	0	0	0	113.3
285	S	27.2	Very low	26.9	Very low	74 Å²	74	126.3 Å²	126.3	52%	0.517	70%	0.695	S	S	.	*			trans	-160.7	144.9	155.5	49.5	0	0	0	0	111.4
286	T	26.3	Very low	26.9	Very low	139 Å²	139	120.5 Å²	120.5	85%	0.853	69%	0.685	S	S	*	*			trans	-87.9	174.1	180	48.9	0	0	0	0	113.2
287	A	27.7	Very low	26.7	Very low	78 Å²	78	122.7 Å²	122.7	65%	0.645	69%	0.694	S	S	*	*			trans	107.7	97.7	137.4	0	0	0	0	0	119.8
288	F	25.7	Very low	26.8	Very low	195 Å²	195	121.1 Å²	121.1	86%	0.855	70%	0.703	S	S	*	*				84.1	153	121.1	-85.5	-68.8	0	0	0	122.6
289	I	27.6	Very low	26.6	Very low	147 Å²	147	120.7 Å²	120.7	75%	0.754	71%	0.706	S	S	*	*			trans	76.7	124.4	163.7	-65.9	147	0	0	0	115.7
290	T	26	Very low	26.7	Very low	98 Å²	98	117.4 Å²	117.4	60%	0.601	70%	0.699	S	S	*	*			cis	-157.5	-177.8	-22.8	32.3	0	0	0	0	107.5
291	D	27.7	Very low	26.6	Very low	134 Å²	134	120.1 Å²	120.1	72%	0.717	72%	0.717	S	S	*	*			trans	72.7	136.6	152.9	-49.4	-38.5	0	0	0	117.5
292	D	25.8	Very low	26.6	Very low	152 Å²	152	121.9 Å²	121.9	81%	0.813	72%	0.723	S	S	*	*			cis	-157.7	-174.9	-16	-150.5	-17.6	0	0	0	109.7
293	A	29.3	Very low	26.5	Very low	71 Å²	71	121.7 Å²	121.7	59%	0.587	73%	0.733	S	S	*	*			trans	49.7	97.7	156.6	0	0	0	0	0	117.3
294	S	24.9	Very low	26.3	Very low	99 Å²	99	124.4 Å²	124.4	69%	0.692	75%	0.745	S	S	*	*				70.3	149.1	74.5	84.5	0	0	0	0	115.6
295	I	27.6	Very low	26.3	Very low	171 Å²	171	126 Å²	126	88%	0.877	75%	0.753	S	S	*	*			trans	73.5	137.4	174.8	-49.2	155.9	0	0	0	112.6
296	G	26.9	Very low	26.2	Very low	68 Å²	68	130.3 Å²	130.3	70%	0.701	77%	0.768	S	S	*	*			cis	-172.9	-178.8	-3.5	0	0	0	0	0	112.5
297	M	23.1	Very low	26.2	Very low	184 Å²	184	126.7 Å²	126.7	91%	0.906	76%	0.758	S	S	*	*			trans	-71.4	145.7	177	-61.1	168.5	64.3	0	0	111.7
298	T	27.1	Very low	26.2	Very low	140 Å²	140	131.9 Å²	131.9	86%	0.859	77%	0.766	S	S	*	*			trans	-164.2	137.2	131.4	11.3	0	0	0	0	111.1
299	S	22.9	Very low	26.4	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	76%	0.762	S	S	*	*			trans	-93.1	136.6	168.9	53.5	0	0	0	0	110
300	V	28.1	Very low	26.3	Very low	123 Å²	123	132.6 Å²	132.6	75%	0.745	77%	0.766	S	S	*	*			trans	-127.2	111.3	165.6	-177.8	0	0	0	0	109.3
301	N	23.1	Very low	26.2	Very low	159 Å²	159	136.5 Å²	136.5	85%	0.85	77%	0.774	S	S	*	*			trans	-86.8	132.8	159	-93.7	-20.7	0	0	0	107.9
302	C	26.6	Very low	26.2	Very low	118 Å²	118	140 Å²	140	80%	0.797	78%	0.784	S	S	*	*			trans	-127.3	114.6	158.1	-70.4	0	0	0	0	108.5
303	T	25	Very low	26.1	Very low	109 Å²	109	139.2 Å²	139.2	67%	0.669	78%	0.779	S	S	*	*			trans	-90.4	-176.9	169.4	45.1	0	0	0	0	110.3
304	D	24	Very low	25.9	Very low	123 Å²	123	140.6 Å²	140.6	66%	0.658	79%	0.785	S	S	*	*			trans	67.5	93.2	154.8	-51.2	-50	0	0	0	119.7
305	V	30	Very low	25.9	Very low	148 Å²	148	144.8 Å²	144.8	90%	0.897	79%	0.791	S	S	*	*			trans	-129.5	99.1	133.4	-176.9	0	0	0	0	109.4
306	I	24.1	Very low	26	Very low	164 Å²	164	142.5 Å²	142.5	84%	0.841	78%	0.78	S	S	*	*			trans	-91.5	122.2	168	-63.6	172.4	0	0	0	107.8
307	G	27.2	Very low	25.9	Very low	62 Å²	62	150.1 Å²	150.1	64%	0.639	79%	0.788	S	S	*	*			trans	-161.4	66.8	-167.5	0	0	0	0	0	119
308	K	27	Very low	26.1	Very low	187 Å²	187	145.8 Å²	145.8	81%	0.813	78%	0.776	S	S	*	*			trans	41.5	148.6	142.9	-54.8	173.8	-178.2	170	0	122.8
309	H	30.2	Very low	26.3	Very low	168 Å²	168	147.6 Å²	147.6	78%	0.778	77%	0.772	S	S	*	*			trans	103.8	90	158.3	-64.3	-83.2	0	0	0	115.8
310	K	25.8	Very low	26.5	Very low	189 Å²	189	148.6 Å²	148.6	82%	0.822	76%	0.764	S	S	*	*				61.1	110.2	68.1	-76.3	-171.7	170.4	176.9	0	115.3
311	K	23.9	Very low	26.7	Very low	180 Å²	180	149.4 Å²	149.4	78%	0.783	76%	0.764	S	S	*	*			trans	48.8	115.6	147.9	-66.4	-171.3	175	-172.7	0	118.4
312	F	27.3	Very low	27	Very low	209 Å²	209	148.6 Å²	148.6	92%	0.917	76%	0.755	S	S	*	*				-127.5	123.7	128.3	-112.2	-90.5	0	0	0	109.7
313	N	23.4	Very low	27.3	Very low	134 Å²	134	149.5 Å²	149.5	72%	0.717	75%	0.75	S	S	*	*			trans	-83.2	148.6	158.9	-70.1	-11.2	0	0	0	107.1
314	S	26.3	Very low	27.7	Very low	101 Å²	101	148.9 Å²	148.9	71%	0.706	75%	0.748	S	S	*	*				172.9	127.7	116.7	55.1	0	0	0	0	115.3
315	F	25.1	Very low	27.9	Very low	186 Å²	186	150 Å²	150	82%	0.816	75%	0.754	S	S	*	*			trans	86.9	139.1	132.7	-89.6	-118.6	0	0	0	123.7
316	N	28.2	Very low	27.7	Very low	123 Å²	123	147.6 Å²	147.6	66%	0.658	74%	0.744	S	S	*	*			trans	66.5	118	166.6	-58.4	-23.4	0	0	0	118.6
317	R	25.6	Very low	27.9	Very low	228 Å²	228	147.2 Å²	147.2	86%	0.86	74%	0.742	S	S	*	*			cis	77.3	135.6	42.9	-67.3	-172.4	171	-160.1	-1.9	112.7
318	S	27.1	Very low	27.7	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	75%	0.748	S	S	*	*			cis	-166.7	178.6	3.3	36	0	0	0	0	112.6
319	K	30.4	Very low	27.8	Very low	178 Å²	178	149.7 Å²	149.7	77%	0.774	75%	0.746	S	S	*	*			trans	91.2	108.6	171.7	-49.5	-154.3	168.7	-167.7	0	114.7
320	E	28.2	Very low	27.6	Very low	138 Å²	138	149.3 Å²	149.3	65%	0.645	75%	0.745	S	S	*	*				78.4	130.7	52.7	-59.6	159.3	137.8	0	0	110.2
321	D	31.7	Very low	27.8	Very low	140 Å²	140	147.4 Å²	147.4	75%	0.749	74%	0.744	S	S	*	*			cis	-127.7	144.7	33.5	-70	-50.5	0	0	0	113.2
322	Q	30.2	Very low	27.8	Very low	141 Å²	141	146.3 Å²	146.3	66%	0.659	74%	0.741	S	S	*	*				69	139.5	68	-62.4	-170.3	31.4	0	0	113.5
323	I	31.8	Very low	27.9	Very low	137 Å²	137	143.9 Å²	143.9	70%	0.703	74%	0.738	S	S	*	*			cis	-170.8	165.8	7.2	-118.6	175.3	0	0	0	108.7
324	P	33.9	Very low	28	Very low	96 Å²	96	144 Å²	144	62%	0.623	74%	0.739	S	S	*	*			cis	-137.8	172.8	-30.9	44.6	-27.2	0	0	0	115.6
325	D	28.8	Very low	28.1	Very low	147 Å²	147	148 Å²	148	79%	0.786	75%	0.746	S	S	*	*				8.8	172.3	124.4	-46.3	-40.5	0	0	0	122.6
326	S	25.7	Very low	28	Very low	98 Å²	98	146 Å²	146	69%	0.685	74%	0.742	S	S	*	*			cis	-176.5	152.9	-37.2	69.7	0	0	0	0	109
327	I	27.4	Very low	27.8	Very low	155 Å²	155	145 Å²	145	80%	0.795	74%	0.744	S	S	*	*			trans	-144.2	130.7	154.9	-63.9	-172.5	0	0	0	109.4	I329	I327-I329 HydrophobicContact CG2-CG1 4.2Å
328	I	24.6	Very low	27.8	Very low	150 Å²	150	140.8 Å²	140.8	77%	0.769	74%	0.738	S	S	*	*			trans	-119.7	124.8	167.8	-61.6	167	0	0	0	107.3
329	I	29.4	Very low	27.8	Very low	151 Å²	151	145.8 Å²	145.8	77%	0.774	75%	0.748	S	S	*	*			trans	-137.7	125.9	163.2	-66.4	-174.6	0	0	0	108.8	I327	I327-I329 HydrophobicContact CG2-CG1 4.2Å
330	H	24.7	Very low	27.6	Very low	160 Å²	160	145.7 Å²	145.7	74%	0.741	75%	0.751	S	S	*	*			trans	-73.6	146.4	162.7	-89.4	-128	0	0	0	109.5
331	D	29.3	Very low	27.5	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	76%	0.755	S	S	*	*				-153.9	162.5	113.7	-140.5	-17	0	0	0	113.1
332	Q	25.7	Very low	27.1	Very low	156 Å²	156	146 Å²	146	73%	0.729	76%	0.756	S	S	*	*			trans	-95.5	157.1	167.1	-58	176.7	-1.3	0	0	109.2
333	N	28.7	Very low	26.9	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	76%	0.763	S	S	*	*			trans	-168.7	151.6	131.5	-104.1	-49.7	0	0	0	112.4
334	N	25.3	Very low	26.5	Very low	138 Å²	138	146.3 Å²	146.3	74%	0.738	76%	0.761	S	S	*	*			trans	-98.2	139.8	169.1	-69.6	-72.4	0	0	0	109.5
335	E	28.8	Very low	26	Very low	185 Å²	185	148.1 Å²	148.1	86%	0.864	77%	0.765	S	S	*	*			trans	-171.4	131.1	142	-105.4	162.7	-163.1	0	0	106.8
336	I	23.2	Very low	25.9	Very low	143 Å²	143	147.9 Å²	147.9	73%	0.733	76%	0.764	S	S	*	*			cis	78.6	136	35.2	-54.5	179.8	0	0	0	112.9
337	C	23.8	Very low	25.8	Very low	102 Å²	102	148.6 Å²	148.6	69%	0.689	76%	0.764	S	S	*	*			trans	76.5	99.2	171.1	-82.3	0	0	0	0	121.5
338	N	24.6	Very low	25.7	Very low	139 Å²	139	148.3 Å²	148.3	74%	0.743	76%	0.764	S	S	*	*				52.2	110.2	113.6	-59.5	-27.9	0	0	0	121.8
339	K	28.5	Very low	25.7	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.865	76%	0.759	S	S	*	*				178.2	135	119.5	-89	145.9	-171.2	174.1	0	107.4
340	Q	24.7	Very low	25.6	Very low	177 Å²	177	149.1 Å²	149.1	83%	0.827	77%	0.766	S	S	*	*			cis	72.3	139.8	41.3	-79.4	-166.8	-24.7	0	0	116.1
341	N	26.4	Very low	25.5	Very low	139 Å²	139	148.1 Å²	148.1	74%	0.743	77%	0.766	S	S	*	*			trans	77.4	128.7	-174.9	-52.9	-25.6	0	0	0	114
342	L	23.8	Very low	25.4	Very low	146 Å²	146	149.6 Å²	149.6	76%	0.764	77%	0.768	S	S	*	*			cis	90.7	160.5	41.7	-77	166.2	0	0	0	113.3
343	I	25.6	Very low	25.6	Very low	157 Å²	157	147.9 Å²	147.9	81%	0.805	77%	0.773	S	S	*	*			trans	83.4	112.3	-163.9	-53.5	161.5	0	0	0	110.4
344	I	24	Very low	25.6	Very low	127 Å²	127	147.9 Å²	147.9	65%	0.651	77%	0.768	S	S	*	*			cis	89.9	121.5	31.6	-56	170.9	0	0	0	112.8
345	D	23.8	Very low	25.9	Very low	134 Å²	134	147.2 Å²	147.2	72%	0.717	77%	0.772	S	S	*	*			trans	31	126.1	160.8	-46.6	-22	0	0	0	119
346	N	26	Very low	25.8	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	76%	0.756	S	S	*	*				-171.6	138.8	77.1	-94.6	-74.5	0	0	0	114.9
347	V	24.1	Very low	26.1	Very low	114 Å²	114	142.9 Å²	142.9	69%	0.691	76%	0.764	S	S	*	*				24.5	108	119	-174.8	0	0	0	0	118
348	N	25	Very low	26.1	Very low	148 Å²	148	144 Å²	144	79%	0.791	76%	0.76	S	S	*	*				-175.2	163.4	106.1	-110.3	-35.7	0	0	0	116.3
349	T	23.7	Very low	26.3	Very low	110 Å²	110	144.5 Å²	144.5	68%	0.675	77%	0.767	S	S	*	*			trans	-67.2	153.5	174.5	49.7	0	0	0	0	114.9
350	F	27.6	Very low	26.2	Very low	208 Å²	208	140.9 Å²	140.9	91%	0.912	75%	0.754	S	S	*	*			trans	-152.8	148.6	130.9	-115	-77.4	0	0	0	111.9
351	N	23.7	Very low	26.4	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	76%	0.755	S	S	*	*			trans	-97.5	157.5	178.3	-61.3	-51.8	0	0	0	110.8
352	Q	27.3	Very low	26.7	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	75%	0.745	S	S	*	*				167.8	163.2	112.8	-92.4	178.9	-2.6	0	0	114.7
353	S	28.9	Very low	27	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	74%	0.744	S	S	*	*			trans	65.4	115.1	158.9	53	0	0	0	0	120.5
354	E	28.6	Very low	27.3	Very low	158 Å²	158	137.8 Å²	137.8	74%	0.738	74%	0.737	S	S	*	*			trans	-93.9	179.2	159	-152.2	179.7	-125.2	0	0	108.9	T356	E354-T356 WeakPolarHBondContact OE2-CG2 3.48Å
355	P	32.6	Very low	27.7	Very low	125 Å²	125	136.7 Å²	136.7	81%	0.812	74%	0.737	S	S	*	*				-147.6	167.1	89.4	38.4	-21	0	0	0	116.4
356	T	26.5	Very low	28.1	Very low	88 Å²	88	140.1 Å²	140.1	54%	0.54	74%	0.74	S	S	.	*			trans	-86.1	170.5	-178.2	54.8	0	0	0	0	114.8	E354	E354-T356 WeakPolarHBondContact OE2-CG2 3.48Å
357	T	28.6	Very low	28.1	Very low	148 Å²	148	139.6 Å²	139.6	91%	0.908	74%	0.737	S	S	*	*			trans	-140.6	135.9	144.4	-42.3	0	0	0	0	109
358	Q	24.8	Very low	28.4	Very low	127 Å²	127	140.1 Å²	140.1	59%	0.593	74%	0.74	S	S	*	*			trans	-110.5	156.2	-173.6	-63.2	-177.9	-1.2	0	0	112.4
359	V	28.5	Very low	28.6	Very low	149 Å²	149	140.2 Å²	140.2	90%	0.903	74%	0.739	S	S	*	*			trans	-134.4	136.8	139.9	-177.6	0	0	0	0	107.1
360	Q	26.1	Very low	28.7	Very low	123 Å²	123	143.6 Å²	143.6	58%	0.575	75%	0.747	S	S	*	*			trans	-112.9	159.9	-176.3	-62.5	-178.7	-14.8	0	0	111.9
361	Y	29	Very low	28.7	Very low	218 Å²	218	138.6 Å²	138.6	86%	0.855	74%	0.738	S	S	*	*				-163.9	104.1	127.3	-82.8	-63.4	0	0	0	105.8
362	T	31.5	Very low	28.9	Very low	88 Å²	88	140.2 Å²	140.2	54%	0.54	74%	0.739	S	S	.	*				54.1	139	91.4	64.5	0	0	0	0	114.7
363	N	30.7	Very low	28.8	Very low	139 Å²	139	138.2 Å²	138.2	74%	0.743	73%	0.729	S	S	*	*			cis	-168.7	161.9	-3.2	-98.3	-10.8	0	0	0	106.4
364	T	31.6	Very low	28.7	Very low	108 Å²	108	137.7 Å²	137.7	66%	0.663	72%	0.717	S	S	*	*			cis	-149.5	-146.1	-4.1	13.7	0	0	0	0	107
365	T	33.6	Very low	28.5	Very low	105 Å²	105	139.4 Å²	139.4	64%	0.644	72%	0.717	S	S	*	*			cis	-162.4	131.8	7.9	-24.6	0	0	0	0	111.1
366	R	30.8	Very low	28.1	Very low	206 Å²	206	143.5 Å²	143.5	78%	0.777	72%	0.716	S	S	*	*			trans	31	147.6	136.4	-58.2	-166.6	162.5	105.3	2	122.5
367	D	27.9	Very low	28.2	Very low	130 Å²	130	148.2 Å²	148.2	70%	0.695	73%	0.729	S	S	*	*			cis	-167.9	-175	-9.5	-103.5	-21.6	0	0	0	111.3
368	V	29.4	Very low	28.2	Very low	124 Å²	124	149.6 Å²	149.6	75%	0.752	73%	0.725	S	S	*	*			trans	104.9	84.4	153	-166.4	0	0	0	0	118.8
369	I	29.9	Very low	28.6	Very low	151 Å²	151	148.5 Å²	148.5	77%	0.774	73%	0.729	S	S	*	*				67.4	106.6	127.1	-61.9	173.2	0	0	0	121.1
370	Q	25.6	Very low	28.4	Very low	180 Å²	180	147.7 Å²	147.7	84%	0.841	72%	0.72	S	S	*	*			trans	-1	151.9	132.6	-43.8	175	-3.9	0	0	118.1
371	S	27.7	Very low	28.3	Very low	103 Å²	103	151.1 Å²	151.1	72%	0.72	73%	0.727	S	S	*	*			cis	-171.7	157	44.6	59.1	0	0	0	0	114.9
372	K	26.5	Very low	28.1	Very low	174 Å²	174	148 Å²	148	76%	0.757	72%	0.724	S	S	*	*			trans	40.5	117.9	144.4	-76.6	-179.4	158.4	-125.7	0	123.1
373	E	26.7	Very low	27.7	Very low	140 Å²	140	149.4 Å²	149.4	65%	0.654	74%	0.737	S	S	*	*				112.2	128.4	116.5	-81.5	-179.3	-135.5	0	0	122.9
374	N	25.8	Very low	27.3	Very low	108 Å²	108	148.5 Å²	148.5	58%	0.578	74%	0.741	S	S	*	*			trans	69.9	87.2	146.5	-73.1	-52.8	0	0	0	123.3
375	R	25.1	Very low	27.1	Very low	194 Å²	194	153.4 Å²	153.4	73%	0.732	75%	0.753	S	S	*	*				78.7	111.6	118.8	-71.8	174.1	-174.4	-155.3	-1.9	120.9
376	R	24.9	Very low	26.8	Very low	210 Å²	210	154.5 Å²	154.5	79%	0.792	76%	0.76	S	S	*	*				105.3	125.2	120.3	-78.9	173.9	170.1	-178.1	-3.5	120.5
377	K	27	Very low	26.5	Very low	188 Å²	188	150.8 Å²	150.8	82%	0.817	76%	0.76	S	S	*	*			trans	82.3	93.2	151	-66.8	176.6	176.3	-173.7	0	119.5
378	Q	29.6	Very low	26.7	Very low	177 Å²	177	153 Å²	153	83%	0.827	77%	0.766	S	S	*	*				49.4	156.5	111.3	-78.3	-154.2	-2.5	0	0	121.7
379	P	32	Very low	26.5	Very low	104 Å²	104	152 Å²	152	68%	0.675	77%	0.765	S	S	*	*			cis	-145.2	140.3	-36	37	-19.2	0	0	0	114.6
380	D	24.8	Very low	26.4	Very low	131 Å²	131	150.2 Å²	150.2	70%	0.701	77%	0.765	S	S	*	*			trans	-162.7	160.8	149	-139.6	-4.6	0	0	0	115.6
381	R	24.2	Very low	26.4	Very low	196 Å²	196	147.2 Å²	147.2	74%	0.74	76%	0.763	S	S	*	*			trans	52	121.6	153.9	-72.6	161.3	-157.6	-123.1	-1.2	123.5
382	I	23.8	Very low	26.3	Very low	153 Å²	153	152.2 Å²	152.2	79%	0.785	77%	0.772	S	S	*	*				57.1	109.4	128.1	-51.3	166.3	0	0	0	118.7
383	S	24.2	Very low	26.1	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	77%	0.773	S	S	*	*				-169.7	157.7	127.9	33.3	0	0	0	0	110.4
384	C	22.6	Very low	26.1	Very low	120 Å²	120	150.7 Å²	150.7	81%	0.811	78%	0.779	S	S	*	*			trans	-100.4	140	173.8	-60	0	0	0	0	109.4
385	F	26.6	Very low	26.2	Very low	211 Å²	211	153.8 Å²	153.8	93%	0.925	79%	0.793	S	S	*	*			trans	-148.4	141.5	152.7	-108.5	-75.1	0	0	0	110.9
386	T	28.8	Very low	26.2	Very low	128 Å²	128	151.1 Å²	151.1	79%	0.785	79%	0.789	S	S	*	*			trans	-112.4	117.4	-177.4	47.7	0	0	0	0	111
387	T	24.2	Very low	26.2	Very low	127 Å²	127	148.7 Å²	148.7	78%	0.779	79%	0.787	S	S	*	*			trans	-164.2	119.8	154.2	28.7	0	0	0	0	110
388	H	30.7	Very low	26.2	Very low	178 Å²	178	146.9 Å²	146.9	82%	0.824	79%	0.785	S	S	*	*				-179.7	127.8	113.9	-110	-79.3	0	0	0	111.8
389	S	25.8	Very low	26.1	Very low	103 Å²	103	146 Å²	146	72%	0.72	79%	0.786	S	S	*	*			trans	-81.9	153.6	161.8	50.8	0	0	0	0	110.5
390	S	28.8	Very low	26.1	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	79%	0.788	S	S	*	*			trans	-163.1	93.4	153.3	35.1	0	0	0	0	109.8
391	C	24.1	Very low	26.1	Very low	117 Å²	117	145.5 Å²	145.5	79%	0.791	79%	0.793	S	S	*	*			trans	-70.9	150.4	169.1	-64.4	0	0	0	0	110
392	F	25.5	Very low	26.4	Very low	208 Å²	208	146.1 Å²	146.1	91%	0.912	80%	0.801	S	S	*	*			trans	-127.7	79.3	163.5	-111.7	-82.3	0	0	0	110
393	C	23.9	Very low	26.4	Very low	116 Å²	116	144.8 Å²	144.8	78%	0.784	80%	0.8	S	S	*	*			trans	-131.5	86.2	172.4	-72.1	0	0	0	0	110.1
394	H	25	Very low	26.6	Very low	167 Å²	167	145.3 Å²	145.3	77%	0.773	80%	0.802	S	S	*	*			trans	-142.3	122.1	159.8	-87.2	-72	0	0	0	109.6
395	I	28.2	Very low	26.8	Very low	172 Å²	172	147 Å²	147	88%	0.882	80%	0.798	S	S	*	*			trans	-163.1	140.8	134	-98.2	157.3	0	0	0	105.3
396	H	26	Very low	26.9	Very low	139 Å²	139	143.2 Å²	143.2	64%	0.644	79%	0.787	S	S	*	*			trans	-80.6	160.9	-161.7	-100.9	-138.8	0	0	0	115.6
397	E	24.1	Very low	26.8	Very low	159 Å²	159	142.1 Å²	142.1	74%	0.743	78%	0.777	S	S	*	*			trans	89.8	147.8	133.7	-90.2	154.3	-137.7	0	0	124.8
398	L	27.9	Very low	27.1	Very low	150 Å²	150	145.2 Å²	145.2	79%	0.785	78%	0.775	S	S	*	*			trans	73.9	78.5	158.7	-66.1	161.1	0	0	0	119.5
399	N	26.4	Very low	27	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	77%	0.769	S	S	*	*			trans	-80	155.6	132.5	-89.7	-21	0	0	0	109.3
400	P	31.8	Very low	26.8	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	78%	0.777	S	S	*	*				-143.1	171.9	113.1	39.2	-27.6	0	0	0	115.2
401	S	26.1	Very low	26.6	Very low	113 Å²	113	150.8 Å²	150.8	79%	0.79	78%	0.775	S	S	*	*			trans	68.7	102.7	166.6	71	0	0	0	0	118.7
402	K	30.8	Very low	26.7	Very low	209 Å²	209	151 Å²	151	91%	0.909	78%	0.775	S	S	*	*				-157.8	115.8	94.4	-101.6	-177.3	-180	-173.1	0	110.9
403	T	24	Very low	26.6	Very low	124 Å²	124	146.7 Å²	146.7	76%	0.761	77%	0.769	S	S	*	*			trans	-86.2	146.8	170.7	36.9	0	0	0	0	110.8
404	C	28.2	Very low	26.7	Very low	129 Å²	129	149 Å²	149	87%	0.872	77%	0.769	S	S	*	*			trans	-153.9	130	145.2	-96.9	0	0	0	0	108.6
405	H	26.4	Very low	26.9	Very low	156 Å²	156	146.7 Å²	146.7	72%	0.722	77%	0.771	S	S	*	*			trans	-68	160.9	176.6	-64.7	-99.3	0	0	0	110.2
406	N	29.1	Very low	26.8	Very low	130 Å²	130	144.6 Å²	144.6	70%	0.695	76%	0.762	S	S	*	*			cis	-152.7	152.4	44.2	-88.4	-64.7	0	0	0	114.4
407	N	26.1	Very low	26.7	Very low	106 Å²	106	144 Å²	144	57%	0.567	77%	0.771	S	S	*	*				19.9	137.2	124.9	-44	-11	0	0	0	116.9
408	Y	29.9	Very low	26.9	Very low	191 Å²	191	143.9 Å²	143.9	75%	0.749	78%	0.776	S	S	*	*				-148.5	148.4	51.7	-97.1	-95.3	0	0	0	116.1
409	Q	28.1	Very low	26.9	Very low	151 Å²	151	145.6 Å²	145.6	71%	0.706	78%	0.78	S	S	*	*			trans	47.3	120.5	150.4	-78.4	166	-25.3	0	0	122.2
410	L	22.9	Very low	26.9	Very low	166 Å²	166	148.3 Å²	148.3	87%	0.869	78%	0.779	S	S	*	*			trans	-67.3	141.4	155.2	-67.1	142.1	0	0	0	111.1
411	Y	25.3	Very low	26.8	Very low	194 Å²	194	150.1 Å²	150.1	76%	0.761	78%	0.778	S	S	*	*			trans	-144	117.9	153.6	-95.3	-79.7	0	0	0	110.5
412	P	25.2	Very low	26.8	Very low	121 Å²	121	150.7 Å²	150.7	79%	0.786	77%	0.772	S	S	*	*			trans	-92.9	115.2	168.2	33.1	-27.2	0	0	0	109.9
413	C	23.7	Very low	26.7	Very low	117 Å²	117	148.1 Å²	148.1	79%	0.791	76%	0.763	S	S	*	*			trans	-147.6	156	178	-96.8	0	0	0	0	113.8
414	H	24.8	Very low	26.9	Very low	166 Å²	166	148.3 Å²	148.3	77%	0.769	76%	0.76	S	S	*	*			trans	-79.6	153	-179.9	-76.2	-137.6	0	0	0	112.8
415	S	30.4	Very low	27	Very low	118 Å²	118	147 Å²	147	83%	0.825	75%	0.752	S	S	*	*			trans	-141.8	82.2	149.7	56.3	0	0	0	0	107.4
416	N	26.6	Very low	27.1	Very low	128 Å²	128	146.6 Å²	146.6	68%	0.684	76%	0.755	S	S	*	*				43.9	82.9	83.1	-71.1	7.1	0	0	0	112.7
417	C	23.9	Very low	27.1	Very low	125 Å²	125	147.9 Å²	147.9	85%	0.845	76%	0.761	S	S	*	*			trans	-64.5	128.2	142.5	-66.7	0	0	0	0	107.7
418	N	26.7	Very low	27.4	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	77%	0.765	S	S	*	*			trans	-159.1	142.3	153.4	-113.2	-20.7	0	0	0	111.2
419	H	28.3	Very low	27.1	Very low	186 Å²	186	145.1 Å²	145.1	86%	0.861	76%	0.764	S	S	*	*			trans	-71.2	135.6	172.2	-85.9	-100.6	0	0	0	110.4	H421	H419-H421 VanDerWaalsContact C-N 3.33Å; H419-H421 PolarHBondContact O-N 3.46Å; H419-H421 VanDerWaalsContact O-N 3.13Å
420	Y	26.9	Very low	27	Very low	215 Å²	215	144 Å²	144	84%	0.843	77%	0.768	S	S	*	*	S	Bend	trans	-73.5	91.8	151.4	-101.3	-93.1	0	0	0	108.2
421	H	29.3	Very low	27.2	Very low	149 Å²	149	141.1 Å²	141.1	69%	0.69	76%	0.762	S	S	*	*				169.6	146.1	113.8	-98.6	-80	0	0	0	114	H419	H419-H421 VanDerWaalsContact C-N 3.33Å; H419-H421 PolarHBondContact O-N 3.46Å; H419-H421 VanDerWaalsContact O-N 3.13Å
422	N	26.6	Very low	27.2	Very low	125 Å²	125	136.2 Å²	136.2	67%	0.668	76%	0.756	S	S	*	*			trans	72.9	99.2	159.4	-64.2	21.3	0	0	0	120
423	E	27.8	Very low	27.3	Very low	155 Å²	155	138.2 Å²	138.2	72%	0.724	76%	0.76	S	S	*	*				84.2	112.3	126	-68.7	-172	-142.8	0	0	122.1
424	N	29.9	Very low	27.4	Very low	129 Å²	129	141.1 Å²	141.1	69%	0.69	76%	0.759	S	S	*	*				77.4	99.2	128.8	-60.3	-26.1	0	0	0	120.7
425	S	29	Very low	27.5	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	76%	0.758	S	S	*	*				96.2	100.3	123.6	-59.4	0	0	0	0	121.5
426	L	29.5	Very low	27.6	Very low	148 Å²	148	138.8 Å²	138.8	78%	0.775	75%	0.749	S	S	*	*				74.8	103.8	126.8	-63.4	168.4	0	0	0	121.6
427	L	29.5	Very low	27.4	Very low	157 Å²	157	139.6 Å²	139.6	82%	0.822	75%	0.752	S	S	*	*			trans	78.8	156.8	131.4	-64.1	175.1	0	0	0	119.6
428	P	31	Very low	27.5	Very low	100 Å²	100	143 Å²	143	65%	0.649	75%	0.753	S	S	*	*			trans	-134.2	-161.1	-144.8	42.9	-23.6	0	0	0	115.4
429	D	24.8	Very low	27.5	Very low	138 Å²	138	139.9 Å²	139.9	74%	0.738	74%	0.743	S	S	*	*			trans	105.3	148.5	153.9	-69.4	-25.3	0	0	0	120.6
430	T	25.8	Very low	27.3	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	74%	0.738	S	S	*	*			trans	82.2	114.3	165.1	70.1	0	0	0	0	120.9
431	S	25.4	Very low	27.5	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	74%	0.735	S	S	*	*			trans	85.8	133.1	131.5	78.6	0	0	0	0	121.6
432	S	25.3	Very low	27.3	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	74%	0.742	S	S	*	*			trans	10.9	132	148.1	54.6	0	0	0	0	120.7
433	N	29.2	Very low	27.6	Very low	163 Å²	163	137.1 Å²	137.1	87%	0.872	75%	0.748	S	S	*	*				-157.9	164.1	110.3	-110	-51.6	0	0	0	115
434	F	24.7	Very low	27.5	Very low	177 Å²	177	136.3 Å²	136.3	78%	0.776	75%	0.749	S	S	*	*			trans	-101.3	163.2	178.2	-108.6	-98.9	0	0	0	111.2
435	N	26.1	Very low	27.5	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	75%	0.753	S	S	*	*			trans	72.9	172.1	151	-69.7	-27.1	0	0	0	116.9
436	P	33.2	Very low	27.5	Very low	96 Å²	96	139.9 Å²	139.9	62%	0.623	76%	0.76	S	S	*	*				-145.6	-174.1	-90.5	37.9	-14.6	0	0	0	116.9
437	L	22.8	Very low	27.4	Very low	145 Å²	145	140.7 Å²	140.7	76%	0.759	76%	0.764	S	S	*	*			trans	69.1	130.8	143.6	-91.3	166.2	0	0	0	121.6
438	K	24.9	Very low	27.7	Very low	197 Å²	197	138.1 Å²	138.1	86%	0.857	76%	0.757	S	S	*	*			trans	73.7	157.1	166.6	-50.3	168.2	-177.3	172.6	0	113.4
439	S	27.8	Very low	27.6	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	77%	0.765	S	S	*	*			cis	-150.5	130.9	13.5	59.5	0	0	0	0	115.4
440	T	24.9	Very low	27.8	Very low	123 Å²	123	148.9 Å²	148.9	76%	0.755	78%	0.775	S	S	*	*				71.4	166.7	127.5	60	0	0	0	0	122.6
441	I	30.5	Very low	28	Very low	152 Å²	152	146.9 Å²	146.9	78%	0.779	77%	0.767	S	S	*	*			trans	74.7	95.2	174.5	-52	173.6	0	0	0	112.4
442	K	25.1	Very low	28.3	Very low	191 Å²	191	148.1 Å²	148.1	83%	0.83	77%	0.765	S	S	*	*				56.2	116.1	77	-73.6	-171.4	175.8	-178.7	0	114.6
443	D	31.6	Very low	28.6	Very low	151 Å²	151	149 Å²	149	81%	0.807	77%	0.767	S	S	*	*				-159.8	-174.7	113.7	-131	-49.9	0	0	0	113.8
444	N	25.9	Very low	28.6	Very low	138 Å²	138	148 Å²	148	74%	0.738	76%	0.761	S	S	*	*			trans	-121.4	139.5	-156.5	-61.4	-97.2	0	0	0	115.9
445	S	30.9	Very low	28.9	Very low	111 Å²	111	147 Å²	147	78%	0.776	76%	0.758	S	S	*	*			trans	176.5	115.9	140.5	31.7	0	0	0	0	110.7
446	K	28.8	Very low	29.1	Very low	194 Å²	194	145.5 Å²	145.5	84%	0.843	75%	0.754	S	S	*	*				66.9	103	85.2	-71.2	-179.3	178.3	175.9	0	114
447	L	26.2	Very low	28.9	Very low	165 Å²	165	149.7 Å²	149.7	86%	0.864	76%	0.763	S	S	*	*				58.7	154.8	77.8	-75.2	175.6	0	0	0	115.3
448	P	36.5	Very low	29.1	Very low	103 Å²	103	147.7 Å²	147.7	67%	0.669	76%	0.76	S	S	*	*			cis	-135.3	-167.8	-11.3	39.3	-21.1	0	0	0	113.4
449	Y	29.1	Very low	29.2	Very low	211 Å²	211	143 Å²	143	83%	0.827	75%	0.753	S	S	*	*			trans	-162.7	118.5	132.6	-117.3	-68	0	0	0	115.3
450	R	28.8	Very low	29.1	Very low	253 Å²	253	145.7 Å²	145.7	96%	0.955	76%	0.76	S	S	*	*			trans	-171.3	124.7	144.7	-112.1	-173.9	-174.6	-167.4	3.7	108.2
451	S	29.6	Very low	29.2	Very low	86 Å²	86	145.8 Å²	145.8	60%	0.601	76%	0.761	S	S	*	*			trans	-128.3	172.4	-168.4	63.8	0	0	0	0	113.8
452	N	32.5	Very low	29.2	Very low	132 Å²	132	145 Å²	145	71%	0.706	76%	0.758	S	S	*	*			trans	99.1	90.5	168.5	-56	17.5	0	0	0	113.5
453	T	30.9	Very low	29.3	Very low	110 Å²	110	143.3 Å²	143.3	68%	0.675	76%	0.758	S	S	*	*				79	148.5	70.7	65.5	0	0	0	0	112.4
454	L	30.1	Very low	29.4	Very low	143 Å²	143	141.4 Å²	141.4	75%	0.749	75%	0.754	S	S	*	*			cis	-133.2	154.5	18.8	-84.3	88.7	0	0	0	114.1
455	H	30.7	Very low	29.5	Very low	154 Å²	154	139.9 Å²	139.9	71%	0.713	75%	0.749	S	S	*	*				32.8	148.8	128.9	-61	-101.5	0	0	0	121.7
456	T	29.7	Very low	29.4	Very low	109 Å²	109	143 Å²	143	67%	0.669	75%	0.749	S	S	*	*			cis	-161.1	158.9	8.1	-0.6	0	0	0	0	114.4
457	K	30.1	Very low	29.3	Very low	184 Å²	184	140.5 Å²	140.5	80%	0.8	74%	0.744	S	S	*	*			trans	56.1	93.3	142	-73.8	175.1	-179.4	-176.6	0	121.9
458	S	26.4	Very low	29.4	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	73%	0.733	S	S	*	*				60.3	126.9	109.8	65.2	0	0	0	0	123.9
459	S	26.9	Very low	29.3	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	73%	0.734	S	S	*	*			trans	76	117.2	132.8	62	0	0	0	0	122.4
460	N	25.5	Very low	29.1	Very low	148 Å²	148	137 Å²	137	79%	0.791	73%	0.727	S	S	*	*			trans	47	110.7	139.3	-58.4	-1.4	0	0	0	119.5
461	T	28.3	Very low	28.9	Very low	126 Å²	126	130.4 Å²	130.4	77%	0.773	72%	0.715	S	S	*	*				-172.1	154.3	92.6	23.6	0	0	0	0	113.6
462	N	29.1	Very low	28.7	Very low	136 Å²	136	131.6 Å²	131.6	73%	0.727	72%	0.723	S	S	*	*			trans	38.4	120.1	144.4	-58.2	-11.9	0	0	0	122.3
463	N	27.2	Very low	28.4	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	72%	0.719	S	S	*	*			trans	81.3	154.8	135.4	-76.7	-14.4	0	0	0	120.3
464	P	34.2	Very low	28.2	Very low	112 Å²	112	131.8 Å²	131.8	73%	0.727	72%	0.722	S	S	*	*			trans	-113.2	-166.5	-154.5	41.4	-29.5	0	0	0	111.8
465	V	28.1	Very low	28.1	Very low	105 Å²	105	134.5 Å²	134.5	64%	0.636	72%	0.723	S	S	*	*				169.9	128.3	124.8	149.2	0	0	0	0	111.9
466	K	28.5	Very low	28	Very low	178 Å²	178	134 Å²	134	77%	0.774	72%	0.721	S	S	*	*			trans	62.7	163	159.1	-74.5	164.4	-155.9	164.8	0	117.3
467	L	27.6	Very low	27.8	Very low	140 Å²	140	137.8 Å²	137.8	73%	0.733	72%	0.724	S	S	*	*			cis	-134.9	162.2	-15.1	-87.3	116	0	0	0	106.9
468	K	28.5	Very low	27.6	Very low	149 Å²	149	134.6 Å²	134.6	65%	0.648	72%	0.72	S	S	*	*			cis	-172.4	174.9	-29.7	-101.1	-159.2	-164.1	173.3	0	106.4
469	H	32.5	Very low	27.6	Very low	145 Å²	145	137.9 Å²	137.9	67%	0.671	72%	0.721	S	S	*	*			trans	73.8	113.5	161.9	-54.3	-67.3	0	0	0	116.8
470	T	25.3	Very low	27.7	Very low	113 Å²	113	140.6 Å²	140.6	69%	0.693	72%	0.723	S	S	*	*			cis	66.5	141	-1.2	87.9	0	0	0	0	115.8
471	T	25.7	Very low	27.8	Very low	114 Å²	114	139.4 Å²	139.4	70%	0.699	73%	0.725	S	S	*	*			cis	-165	156.1	12.3	-13.5	0	0	0	0	112.2
472	S	25.3	Very low	27.6	Very low	111 Å²	111	139 Å²	139	78%	0.776	73%	0.727	S	S	*	*			trans	64.6	174.6	146.6	74.5	0	0	0	0	118.1
473	S	25.8	Very low	27.8	Very low	87 Å²	87	138 Å²	138	61%	0.608	73%	0.728	S	S	*	*			cis	-154.8	139.5	6.8	54.2	0	0	0	0	114.6
474	H	27	Very low	27.9	Very low	159 Å²	159	136 Å²	136	74%	0.736	73%	0.726	S	S	*	*			trans	64.1	165.1	139.4	-66.8	-22.3	0	0	0	124.2
475	Y	27.8	Very low	27.6	Very low	200 Å²	200	138 Å²	138	78%	0.784	73%	0.73	S	S	*	*			trans	73.6	148.3	164.3	-57.7	-76.5	0	0	0	119.7
476	H	27.8	Very low	27.5	Very low	142 Å²	142	139.9 Å²	139.9	66%	0.657	74%	0.736	S	S	*	*			cis	-170.9	167.6	-42.7	-133.2	-93.7	0	0	0	109.9
477	Y	26.3	Very low	27.5	Very low	190 Å²	190	136.8 Å²	136.8	75%	0.745	73%	0.734	S	S	*	*			trans	59.2	121.5	171.8	-78.5	-91	0	0	0	116.7
478	V	25.8	Very low	27.4	Very low	117 Å²	117	141.5 Å²	141.5	71%	0.709	74%	0.742	S	S	*	*			cis	78	106.4	34.6	-171.9	0	0	0	0	114.1
479	K	27.2	Very low	27.4	Very low	170 Å²	170	140 Å²	140	74%	0.739	75%	0.751	S	S	*	*				-175	120.2	117	-98.7	-171.8	168.5	-172.7	0	116.1
480	H	28.2	Very low	27.3	Very low	156 Å²	156	140.7 Å²	140.7	72%	0.722	76%	0.758	S	S	*	*			trans	77.2	148.1	139.4	-63.4	-51.8	0	0	0	126.2
481	C	27	Very low	27.5	Very low	124 Å²	124	140.7 Å²	140.7	84%	0.838	76%	0.759	S	S	*	*			trans	80	73.7	153.7	-66.1	0	0	0	0	122
482	S	25	Very low	27.6	Very low	116 Å²	116	142.2 Å²	142.2	81%	0.811	77%	0.768	S	S	*	*			trans	-67.2	-177	141.8	10.8	0	0	0	0	112.5
483	P	33.6	Very low	27.7	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	77%	0.77	S	S	*	*			cis	-136.6	169	-20.7	35.3	-18	0	0	0	115.1
484	S	28.8	Very low	27.7	Very low	112 Å²	112	151.7 Å²	151.7	78%	0.783	79%	0.785	S	S	*	*				179.2	124.9	129.4	37.8	0	0	0	0	116.6
485	L	27.1	Very low	27.6	Very low	154 Å²	154	153 Å²	153	81%	0.806	79%	0.794	S	S	*	*			trans	25	106.3	138.8	-65	152.6	0	0	0	121
486	N	27.6	Very low	27.6	Very low	144 Å²	144	152.3 Å²	152.3	77%	0.77	80%	0.8	S	S	*	*				-175.7	147.5	97.4	-103	-59.2	0	0	0	113.8
487	P	27.1	Very low	27.6	Very low	113 Å²	113	150.6 Å²	150.6	73%	0.734	80%	0.804	S	S	*	*			trans	-98.9	107.2	-175.3	35.4	-30.9	0	0	0	114
488	R	27	Very low	27.8	Very low	240 Å²	240	147.3 Å²	147.3	91%	0.906	81%	0.809	S	S	*	*			trans	-143.6	157.7	163.3	-73.8	-164.5	173.1	-179.5	-1.1	112.5
489	S	28.1	Very low	28.2	Very low	117 Å²	117	146 Å²	146	82%	0.818	81%	0.805	S	S	*	*			trans	55.5	102.5	176.1	52.6	0	0	0	0	117.9
490	I	29.7	Very low	28.4	Very low	160 Å²	160	143.5 Å²	143.5	82%	0.821	81%	0.806	S	S	*	*			trans	-93.1	129.1	147.9	-62.7	175.2	0	0	0	106.9	V492	I490-V492 PolarHBondContact O-N 3Å
491	P	29.8	Very low	29.1	Very low	112 Å²	112	141.5 Å²	141.5	73%	0.727	81%	0.807	S	S	*	*			trans	-76.2	125.1	-175.4	29.2	-34	0	0	0	112.3	N493	P491-N493 PolarHBondContact O-N 3.41Å
492	V	26.9	Very low	30.4	Very low	147 Å²	147	138.9 Å²	138.9	89%	0.891	78%	0.781	S	S	*	*			trans	-79.1	98.8	169.6	178.7	0	0	0	0	108.9	I490	I490-V492 PolarHBondContact O-N 3Å
493	N	27.7	Very low	31.6	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	77%	0.766	S	S	*	*			trans	-154.2	154.6	168.9	-110.9	-35.5	0	0	0	112.3	P491	P491-N493 PolarHBondContact O-N 3.41Å
494	R	25.6	Very low	32.2	Very low	244 Å²	244	138.7 Å²	138.7	92%	0.921	77%	0.767	S	S	*	*	S	Bend	trans	64.3	52	173.9	-157.9	-177.5	-72.9	177.3	-3.1	116.8
495	M	26.7	Very low	33	Very low	187 Å²	187	138.6 Å²	138.6	92%	0.921	75%	0.752	S	S	*	*			trans	-151	37.8	157.9	-133.3	176.4	-166.3	0	0	114.9
496	M	26.5	Very low	34.1	Very low	184 Å²	184	133.5 Å²	133.5	91%	0.906	73%	0.725	S	S	*	*			trans	-137.3	76.1	173.2	-74.5	-163.9	170.9	0	0	112.5
497	S	27.1	Very low	35.3	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	71%	0.709	S	S	*	*	S	Bend	trans	-150.8	141.4	160.2	52.3	0	0	0	0	108.5
498	S	31.1	Very low	36.5	Very low	121 Å²	121	127.9 Å²	127.9	85%	0.846	69%	0.692	S	S	*	*			trans	60.8	122.4	-161.6	74.7	0	0	0	0	114.9
499	S	34.7	Very low	37.7	Very low	90 Å²	90	118 Å²	118	63%	0.629	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-86.1	136.2	162.9	-60.5	0	0	0	0	108.3
500	P	32	Very low	38.9	Very low	117 Å²	117	113.5 Å²	113.5	76%	0.76	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-59.3	137.5	170.5	-21.5	32.8	0	0	0	110.3
501	P	42.6	Very low	40	Very low	114 Å²	114	113.3 Å²	113.3	74%	0.74	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-63.5	151.6	167	28.9	-34	0	0	0	109.8	T503	P501-T503 PolarHBondContact O-N 3.32Å
502	F	54	Low	41.1	Very low	70 Å²	70	110.8 Å²	110.8	31%	0.307	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-55	124.8	172.3	-75.9	-85.4	0	0	0	109.8	H506 M696	F502-H506 HydrophobicContact CB-CB 4.13Å; F502-H506 HydrophobicContact CD1-CB 3.84Å; F502-H506 AromaticContact CD1-CD2 3.81Å; F502-H506 AromaticContact CD1-CG 3.77Å; F502-H506 HydrophobicContact CG-CB 4.45Å; F502-M696 HydrophobicContact CD1-SD 4.47Å; F502-M696 HydrophobicContact CD2-SD 4.05Å; F502-M696 HydrophobicContact CE1-SD 4.15Å; F502-M696 HydrophobicContact CE2-SD 3.71Å; F502-M696 HydrophobicContact CG-SD 4.43Å; F502-M696 HydrophobicContact CZ-SD 3.77Å
503	T	49.1	Very low	42.4	Very low	78 Å²	78	105.7 Å²	105.7	48%	0.479	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-63.2	156.1	176.6	70.3	0	0	0	0	110.1	P501 K505 H506 L507	P501-T503 PolarHBondContact O-N 3.32Å; T503-K505 PolarHBondContact O-N 3.15Å; T503-H506 PolarHBondContact N-ND1 3.25Å; T503-H506 WeakPolarHBondContact O-CB 3.24Å; T503-H506 PolarHBondContact O-N 2.91Å; T503-H506 PolarHBondContact OG1-CE1 2.87Å; T503-H506 PolarHBondContact OG1-ND1 3.49Å; T503-L507 PolarHBondContact O-N 3.45Å
504	L	46.8	Very low	43.3	Very low	149 Å²	149	104.5 Å²	104.5	78%	0.78	55%	0.546	S	S	*	.	H	α-helix	trans	-50.9	-32.9	178.3	-69.2	171.7	0	0	0	112.8	H506 L507 S508	L504-H506 PolarHBondContact O-N 3.5Å; L504-L507 PolarHBondContact O-N 2.97Å; L504-S508 PolarHBondContact O-N 3.41Å; L504-S508 PolarHBondContact O-OG 2.9Å
505	K	46.5	Very low	44.5	Very low	110 Å²	110	97 Å²	97	48%	0.478	52%	0.522	S	S	.	.	H	α-helix	trans	-55.1	-47.3	174.7	-168.9	-169.7	176.9	-164.3	0	112.6	T503 L507 S508 T509 E640	T503-K505 PolarHBondContact O-N 3.15Å; K505-L507 VanDerWaalsContact C-N 3.32Å; K505-L507 PolarHBondContact O-N 3.49Å; K505-S508 WeakPolarHBondContact CA-OG 3.31Å; K505-S508 PolarHBondContact O-N 2.97Å; K505-S508 PolarHBondContact O-OG 2.77Å; K505-T509 PolarHBondContact O-N 3.24Å; K505-T509 PolarHBondContact O-OG1 3.29Å; K505-E640 WeakPolarHBondContact CD-OE2 3.42Å; K505-E640 WeakPolarHBondContact CE-OE2 3.46Å; K505-E640 IonicContact NZ-OE1 3.71Å; K505-E640 PolarHBondContact NZ-OE1 3.02Å; K505-E640 IonicContact NZ-OE2 2.91Å; K505-E640 PolarHBondContact NZ-OE2 2.85Å
506	H	49.7	Very low	45.6	Very low	48 Å²	48	90.2 Å²	90.2	22%	0.222	49%	0.488	C	S	.	.	H	α-helix	trans	-63.2	-41.3	178.9	-59	87.9	0	0	0	111.3	F502 T503 L504 T509 I510	F502-H506 HydrophobicContact CB-CB 4.13Å; F502-H506 HydrophobicContact CD1-CB 3.84Å; F502-H506 AromaticContact CD1-CD2 3.81Å; F502-H506 AromaticContact CD1-CG 3.77Å; F502-H506 HydrophobicContact CG-CB 4.45Å; T503-H506 PolarHBondContact N-ND1 3.25Å; T503-H506 WeakPolarHBondContact O-CB 3.24Å; T503-H506 PolarHBondContact O-N 2.91Å; T503-H506 PolarHBondContact OG1-CE1 2.87Å; T503-H506 PolarHBondContact OG1-ND1 3.49Å; L504-H506 PolarHBondContact O-N 3.5Å; H506-T509 PolarHBondContact O-N 3.4Å; H506-I510 VanDerWaalsContact O-CG1 3.29Å; H506-I510 WeakPolarHBondContact O-CG1 3.41Å; H506-I510 PolarHBondContact O-N 3.04Å
507	L	52.5	Low	46.4	Very low	85 Å²	85	85.7 Å²	85.7	45%	0.445	46%	0.461	S	S	.	.	H	α-helix	trans	-68.1	-36.5	178.2	-63.7	177.2	0	0	0	111.6	T503 L504 K505 R511	T503-L507 PolarHBondContact O-N 3.45Å; L504-L507 PolarHBondContact O-N 2.97Å; K505-L507 VanDerWaalsContact C-N 3.32Å; K505-L507 PolarHBondContact O-N 3.49Å; L507-R511 WeakPolarHBondContact O-CB 3.47Å; L507-R511 PolarHBondContact O-N 2.69Å
508	S	53.1	Low	47.2	Very low	54 Å²	54	85.8 Å²	85.8	38%	0.378	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-40.8	171.8	52.2	0	0	0	0	112.5	L504 K505 I510 R511 N512	L504-S508 PolarHBondContact O-N 3.41Å; L504-S508 PolarHBondContact O-OG 2.9Å; K505-S508 WeakPolarHBondContact CA-OG 3.31Å; K505-S508 PolarHBondContact O-N 2.97Å; K505-S508 PolarHBondContact O-OG 2.77Å; S508-I510 PolarHBondContact O-N 3.43Å; S508-R511 PolarHBondContact O-N 3.4Å; S508-N512 WeakPolarHBondContact O-CB 3.49Å; S508-N512 VanDerWaalsContact O-CG 3.23Å; S508-N512 PolarHBondContact O-N 2.92Å; S508-N512 PolarHBondContact O-OD1 3.39Å
509	T	51	Low	47.6	Very low	33 Å²	33	87.1 Å²	87.1	20%	0.202	44%	0.437	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176.3	-52.7	0	0	0	0	110.9	K505 H506 N512 M513	K505-T509 PolarHBondContact O-N 3.24Å; K505-T509 PolarHBondContact O-OG1 3.29Å; H506-T509 PolarHBondContact O-N 3.4Å; T509-N512 PolarHBondContact O-N 2.92Å; T509-M513 HydrophobicContact CG2-CE 4.27Å; T509-M513 WeakPolarHBondContact O-CG 3.49Å; T509-M513 PolarHBondContact O-N 2.62Å; T509-M513 VanDerWaalsContact O-N 3.11Å
510	I	52.8	Low	47.7	Very low	22 Å²	22	85 Å²	85	11%	0.113	42%	0.423	C	S	.	.	H	α-helix	trans	-60.7	-47.2	174.3	-67.5	166	0	0	0	110.6	H506 S508 M513 Y514 M696	H506-I510 VanDerWaalsContact O-CG1 3.29Å; H506-I510 WeakPolarHBondContact O-CG1 3.41Å; H506-I510 PolarHBondContact O-N 3.04Å; S508-I510 PolarHBondContact O-N 3.43Å; I510-M513 HydrophobicContact CG1-CE 4.38Å; I510-M513 PolarHBondContact O-N 3.44Å; I510-Y514 HydrophobicContact CG2-CD2 3.88Å; I510-Y514 HydrophobicContact CG2-CE2 3.96Å; I510-Y514 WeakPolarHBondContact O-CD2 3.48Å; I510-Y514 PolarHBondContact O-N 3.1Å; I510-Y514 VanDerWaalsContact O-N 3.11Å; I510-M696 HydrophobicContact CD1-CE 4.25Å; I510-M696 HydrophobicContact CD1-SD 4.02Å
511	R	54	Low	48	Very low	155 Å²	155	81.7 Å²	81.7	59%	0.585	40%	0.4	S	S	*	.	H	α-helix	trans	-59.1	-49.7	178.5	178.6	179.4	174.5	156	8.6	112	L507 S508 M513 Y514 E515	L507-R511 WeakPolarHBondContact O-CB 3.47Å; L507-R511 PolarHBondContact O-N 2.69Å; S508-R511 PolarHBondContact O-N 3.4Å; R511-M513 VanDerWaalsContact C-N 3.35Å; R511-M513 PolarHBondContact O-N 2.9Å; R511-Y514 PolarHBondContact O-N 3.35Å; R511-Y514 VanDerWaalsContact O-N 3.1Å; R511-E515 HydrophobicContact CG-CG 4.2Å; R511-E515 WeakPolarHBondContact CG-OE2 3.27Å; R511-E515 IonicContact CZ-OE1 3.12Å; R511-E515 IonicContact CZ-OE2 2.7Å; R511-E515 IonicContact NE-OE1 2.68Å; R511-E515 PolarHBondContact NE-OE1 3.29Å; R511-E515 IonicContact NE-OE2 2.66Å; R511-E515 PolarHBondContact NE-OE2 3.36Å; R511-E515 IonicContact NH2-OE1 2.76Å; R511-E515 PolarHBondContact NH2-OE1 3.42Å; R511-E515 IonicContact NH2-OE2 2.85Å; R511-E515 PolarHBondContact O-N 2.85Å
512	N	53.2	Low	48	Very low	59 Å²	59	81.2 Å²	81.2	32%	0.316	39%	0.387	S	S	.	.	H	α-helix	trans	-59.7	-44.5	-179.3	-71.1	22.5	0	0	0	111.1	S508 T509 Y514 E515 Q516	S508-N512 WeakPolarHBondContact O-CB 3.49Å; S508-N512 VanDerWaalsContact O-CG 3.23Å; S508-N512 PolarHBondContact O-N 2.92Å; S508-N512 PolarHBondContact O-OD1 3.39Å; T509-N512 PolarHBondContact O-N 2.92Å; N512-Y514 VanDerWaalsContact C-N 3.3Å; N512-Y514 PolarHBondContact O-N 3.19Å; N512-E515 PolarHBondContact O-N 3.36Å; N512-Q516 WeakPolarHBondContact O-CB 3.45Å; N512-Q516 WeakPolarHBondContact O-CG 3.33Å; N512-Q516 PolarHBondContact O-N 2.76Å
513	M	52.8	Low	47.3	Very low	40 Å²	40	79.4 Å²	79.4	20%	0.197	38%	0.381	C	S	.	.	H	α-helix	trans	-60.7	-38	175.8	-69.3	-175.4	-59.4	0	0	112.3	T509 I510 R511 Y517 W688 M695	T509-M513 HydrophobicContact CG2-CE 4.27Å; T509-M513 WeakPolarHBondContact O-CG 3.49Å; T509-M513 PolarHBondContact O-N 2.62Å; T509-M513 VanDerWaalsContact O-N 3.11Å; I510-M513 HydrophobicContact CG1-CE 4.38Å; I510-M513 PolarHBondContact O-N 3.44Å; R511-M513 VanDerWaalsContact C-N 3.35Å; R511-M513 PolarHBondContact O-N 2.9Å; M513-Y517 WeakPolarHBondContact O-CB 3.47Å; M513-Y517 PolarHBondContact O-N 3.41Å; M513-W688 HydrophobicContact SD-CZ3 4.28Å; M513-M695 HydrophobicContact CE-CE 4.42Å
514	Y	47.3	Very low	46.6	Very low	128 Å²	128	80.8 Å²	80.8	50%	0.502	39%	0.386	S	S	.	.	H	α-helix	trans	-69.8	-43	173.7	-89.7	-73.6	0	0	0	112.9	I510 R511 N512 Y517 E518 T692	I510-Y514 HydrophobicContact CG2-CD2 3.88Å; I510-Y514 HydrophobicContact CG2-CE2 3.96Å; I510-Y514 WeakPolarHBondContact O-CD2 3.48Å; I510-Y514 PolarHBondContact O-N 3.1Å; I510-Y514 VanDerWaalsContact O-N 3.11Å; R511-Y514 PolarHBondContact O-N 3.35Å; R511-Y514 VanDerWaalsContact O-N 3.1Å; N512-Y514 VanDerWaalsContact C-N 3.3Å; N512-Y514 PolarHBondContact O-N 3.19Å; Y514-Y517 PolarHBondContact O-N 3.41Å; Y514-E518 PolarHBondContact O-N 2.74Å; Y514-T692 HydrophobicContact CE2-CG2 4.31Å
515	E	50.3	Low	46.1	Very low	87 Å²	87	81.3 Å²	81.3	41%	0.407	38%	0.384	S	S	.	.	H	α-helix	trans	-69.6	-37.9	-178.4	-73.8	179.5	150.2	0	0	112.1	R511 N512 E518 Y519	R511-E515 HydrophobicContact CG-CG 4.2Å; R511-E515 WeakPolarHBondContact CG-OE2 3.27Å; R511-E515 IonicContact CZ-OE1 3.12Å; R511-E515 IonicContact CZ-OE2 2.7Å; R511-E515 IonicContact NE-OE1 2.68Å; R511-E515 PolarHBondContact NE-OE1 3.29Å; R511-E515 IonicContact NE-OE2 2.66Å; R511-E515 PolarHBondContact NE-OE2 3.36Å; R511-E515 IonicContact NH2-OE1 2.76Å; R511-E515 PolarHBondContact NH2-OE1 3.42Å; R511-E515 IonicContact NH2-OE2 2.85Å; R511-E515 PolarHBondContact O-N 2.85Å; N512-E515 PolarHBondContact O-N 3.36Å; E515-E518 PolarHBondContact O-N 3.47Å; E515-Y519 WeakPolarHBondContact O-CB 3.41Å; E515-Y519 PolarHBondContact O-N 3.09Å
516	Q	49.7	Very low	45.6	Very low	44 Å²	44	83.7 Å²	83.7	21%	0.206	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-42.8	170.2	-71.9	168.9	-9.6	0	0	111.9	N512 Y519 S520 G632 G634	N512-Q516 WeakPolarHBondContact O-CB 3.45Å; N512-Q516 WeakPolarHBondContact O-CG 3.33Å; N512-Q516 PolarHBondContact O-N 2.76Å; Q516-Y519 PolarHBondContact O-N 3.02Å; Q516-S520 WeakPolarHBondContact O-CB 3.47Å; Q516-S520 PolarHBondContact O-N 3.26Å; Q516-G632 PolarHBondContact NE2-O 2.92Å; Q516-G634 PolarHBondContact NE2-O 3.39Å; Q516-G634 PolarHBondContact OE1-O 3.25Å
517	Y	44.3	Very low	44.8	Very low	90 Å²	90	86.8 Å²	86.8	35%	0.353	41%	0.412	S	S	.	.	H	α-helix	trans	-69.2	-38.6	177.8	-172.8	-96.1	0	0	0	112.3	M513 Y514 Y519 T521 K685	M513-Y517 WeakPolarHBondContact O-CB 3.47Å; M513-Y517 PolarHBondContact O-N 3.41Å; Y514-Y517 PolarHBondContact O-N 3.41Å; Y517-Y519 VanDerWaalsContact C-N 3.31Å; Y517-T521 HydrophobicContact CD1-CG2 4.22Å; Y517-T521 HydrophobicContact CE1-CG2 3.66Å; Y517-T521 HydrophobicContact CE2-CG2 4.19Å; Y517-T521 WeakPolarHBondContact O-CB 3.04Å; Y517-T521 WeakPolarHBondContact O-CG2 3.46Å; Y517-T521 PolarHBondContact O-N 3.24Å; Y517-T521 PolarHBondContact O-OG1 2.99Å; Y517-K685 HydrophobicContact CE1-CD 4.49Å; Y517-K685 HydrophobicContact CE1-CG 4.13Å; Y517-K685 HydrophobicContact CE2-CB 4.44Å; Y517-K685 WeakPolarHBondContact OH-CB 3.38Å; Y517-K685 WeakPolarHBondContact OH-CD 3.35Å; Y517-K685 WeakPolarHBondContact OH-CG 3.48Å
518	E	44.3	Very low	43.7	Very low	107 Å²	107	90.4 Å²	90.4	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-64.7	-35.4	171.9	-117	-144	159.8	0	0	112.1	Y514 E515 T521 K522	Y514-E518 PolarHBondContact O-N 2.74Å; E515-E518 PolarHBondContact O-N 3.47Å; E518-T521 WeakPolarHBondContact CA-OG1 3.25Å; E518-T521 PolarHBondContact O-OG1 2.85Å; E518-K522 VanDerWaalsContact O-CB 3.3Å; E518-K522 WeakPolarHBondContact O-CB 3.5Å; E518-K522 VanDerWaalsContact O-CD 3.3Å; E518-K522 WeakPolarHBondContact O-CD 3.27Å; E518-K522 WeakPolarHBondContact O-CG 3.44Å; E518-K522 PolarHBondContact O-N 3.02Å; E518-K522 VanDerWaalsContact O-N 3.13Å; E518-K522 WeakPolarHBondContact OE1-CE 3.25Å; E518-K522 IonicContact OE1-NZ 2.7Å; E518-K522 PolarHBondContact OE1-NZ 3.31Å; E518-K522 IonicContact OE2-NZ 3.63Å; E518-K522 PolarHBondContact OE2-NZ 2.95Å
519	Y	38.7	Very low	42.6	Very low	149 Å²	149	94 Å²	94	58%	0.584	44%	0.435	S	S	*	.	H	α-helix	trans	-69.3	-51	175.9	-165.8	-98.6	0	0	0	111.1	E515 Q516 Y517 T521 K522 V523	E515-Y519 WeakPolarHBondContact O-CB 3.41Å; E515-Y519 PolarHBondContact O-N 3.09Å; Q516-Y519 PolarHBondContact O-N 3.02Å; Y517-Y519 VanDerWaalsContact C-N 3.31Å; Y519-T521 PolarHBondContact O-N 3.33Å; Y519-K522 CarbonylContact O-C 3.53Å; Y519-K522 PolarHBondContact O-N 3.12Å; Y519-V523 HydrophobicContact CD1-CG2 3.86Å; Y519-V523 HydrophobicContact CE1-CG2 3.56Å; Y519-V523 HydrophobicContact CE2-CG2 4.47Å; Y519-V523 HydrophobicContact CG-CG2 4.43Å; Y519-V523 WeakPolarHBondContact O-CG2 3.34Å; Y519-V523 PolarHBondContact O-N 3.02Å
520	S	37.6	Very low	41.6	Very low	47 Å²	47	98.8 Å²	98.8	33%	0.329	46%	0.459	S	S	.	.	H	α-helix	trans	-53.7	-49.6	175.1	169.9	0	0	0	0	111.9	Q516 K522 V523 N524	Q516-S520 WeakPolarHBondContact O-CB 3.47Å; Q516-S520 PolarHBondContact O-N 3.26Å; S520-K522 VanDerWaalsContact C-N 3.27Å; S520-K522 PolarHBondContact O-N 3.33Å; S520-V523 PolarHBondContact O-N 3.26Å; S520-N524 WeakPolarHBondContact O-CB 3.49Å; S520-N524 PolarHBondContact O-N 2.75Å; S520-N524 PolarHBondContact O-OD1 3.16Å
521	T	38.8	Very low	40.4	Very low	46 Å²	46	105.8 Å²	105.8	28%	0.282	49%	0.491	S	S	.	.	H	α-helix	trans	-67.1	-24	178.4	49.7	0	0	0	0	113.8	Y517 E518 Y519 H525	Y517-T521 HydrophobicContact CD1-CG2 4.22Å; Y517-T521 HydrophobicContact CE1-CG2 3.66Å; Y517-T521 HydrophobicContact CE2-CG2 4.19Å; Y517-T521 WeakPolarHBondContact O-CB 3.04Å; Y517-T521 WeakPolarHBondContact O-CG2 3.46Å; Y517-T521 PolarHBondContact O-N 3.24Å; Y517-T521 PolarHBondContact O-OG1 2.99Å; E518-T521 WeakPolarHBondContact CA-OG1 3.25Å; E518-T521 PolarHBondContact O-OG1 2.85Å; Y519-T521 PolarHBondContact O-N 3.33Å; T521-H525 PolarHBondContact O-CD2 2.84Å
522	K	41.1	Very low	39.2	Very low	105 Å²	105	106.5 Å²	106.5	46%	0.457	51%	0.507	S	S	.	.	H	α-helix	trans	-86.8	-28.9	175.7	-72.5	169.9	-171.2	177.8	0	113.7	E518 Y519 S520 K526	E518-K522 VanDerWaalsContact O-CB 3.3Å; E518-K522 WeakPolarHBondContact O-CB 3.5Å; E518-K522 VanDerWaalsContact O-CD 3.3Å; E518-K522 WeakPolarHBondContact O-CD 3.27Å; E518-K522 WeakPolarHBondContact O-CG 3.44Å; E518-K522 PolarHBondContact O-N 3.02Å; E518-K522 VanDerWaalsContact O-N 3.13Å; E518-K522 WeakPolarHBondContact OE1-CE 3.25Å; E518-K522 IonicContact OE1-NZ 2.7Å; E518-K522 PolarHBondContact OE1-NZ 3.31Å; E518-K522 IonicContact OE2-NZ 3.63Å; E518-K522 PolarHBondContact OE2-NZ 2.95Å; Y519-K522 CarbonylContact O-C 3.53Å; Y519-K522 PolarHBondContact O-N 3.12Å; S520-K522 VanDerWaalsContact C-N 3.27Å; S520-K522 PolarHBondContact O-N 3.33Å; K522-K526 WeakPolarHBondContact O-CG 3.41Å; K522-K526 PolarHBondContact O-N 3.46Å
523	V	39.7	Very low	38	Very low	32 Å²	32	112.2 Å²	112.2	19%	0.194	53%	0.531	C	S	.	.	H	α-helix	trans	-74.3	-44.1	173.1	173.2	0	0	0	0	110.3	Y519 S520 H525 K526 N527	Y519-V523 HydrophobicContact CD1-CG2 3.86Å; Y519-V523 HydrophobicContact CE1-CG2 3.56Å; Y519-V523 HydrophobicContact CE2-CG2 4.47Å; Y519-V523 HydrophobicContact CG-CG2 4.43Å; Y519-V523 WeakPolarHBondContact O-CG2 3.34Å; Y519-V523 PolarHBondContact O-N 3.02Å; S520-V523 PolarHBondContact O-N 3.26Å; V523-H525 PolarHBondContact O-N 3.4Å; V523-K526 PolarHBondContact O-N 2.94Å; V523-N527 PolarHBondContact O-N 2.93Å
524	N	35.1	Very low	36.8	Very low	106 Å²	106	117.6 Å²	117.6	57%	0.567	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-14	174.1	-66.1	24.3	0	0	0	113.3	S520	S520-N524 WeakPolarHBondContact O-CB 3.49Å; S520-N524 PolarHBondContact O-N 2.75Å; S520-N524 PolarHBondContact O-OD1 3.16Å
525	H	36	Very low	35.8	Very low	160 Å²	160	116 Å²	116	74%	0.741	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	10.9	171.8	-79	-46.8	0	0	0	114	T521 V523	T521-H525 PolarHBondContact O-CD2 2.84Å; V523-H525 PolarHBondContact O-N 3.4Å
526	K	35.8	Very low	34.7	Very low	161 Å²	161	118.3 Å²	118.3	70%	0.7	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	-32.6	177.2	-81.9	-168.9	167.2	-159.6	0	114.7	K522 V523 Y528	K522-K526 WeakPolarHBondContact O-CG 3.41Å; K522-K526 PolarHBondContact O-N 3.46Å; V523-K526 PolarHBondContact O-N 2.94Å; K526-Y528 PolarHBondContact O-N 2.87Å
527	N	33	Very low	33.7	Very low	112 Å²	112	124.2 Å²	124.2	60%	0.599	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	18.1	-174.9	-65.9	12.3	0	0	0	114.1	V523	V523-N527 PolarHBondContact O-N 2.93Å
528	Y	28.4	Very low	32.8	Very low	162 Å²	162	128 Å²	128	64%	0.635	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	26.4	-178.4	-105.1	-88.8	0	0	0	113.2	K526 L622	K526-Y528 PolarHBondContact O-N 2.87Å; Y528-L622 PolarHBondContact OH-O 3.36Å; Y528-L622 VanDerWaalsContact OH-O 3.12Å
529	I	31.1	Very low	32	Very low	129 Å²	129	129.3 Å²	129.3	66%	0.662	64%	0.644	S	S	*	*	S	Bend	trans	-136.2	129	172.2	-57.1	179.7	0	0	0	107.8
530	N	29.3	Very low	31.5	Very low	134 Å²	134	129.4 Å²	129.4	72%	0.717	65%	0.65	S	S	*	*	S	Bend	trans	64.3	114.8	-167.5	-49.3	-9.3	0	0	0	112
531	H	28.4	Very low	31	Very low	169 Å²	169	132.2 Å²	132.2	78%	0.782	67%	0.67	S	S	*	*			cis	-158.9	131.7	43.8	-79.8	-92.9	0	0	0	110.6
532	N	27.3	Very low	30.5	Very low	170 Å²	170	138.6 Å²	138.6	91%	0.909	70%	0.696	S	S	*	*			trans	173.5	76.2	144.5	-93.5	-11	0	0	0	109.8
533	E	27.9	Very low	29.8	Very low	178 Å²	178	138 Å²	138	83%	0.832	71%	0.706	S	S	*	*	S	Bend	trans	-120.9	142.8	150.1	-100.9	-174.8	176.6	0	0	107.3
534	I	29.1	Very low	29.3	Very low	153 Å²	153	143 Å²	143	79%	0.785	73%	0.731	S	S	*	*			trans	62.3	79.5	172.2	-50	158.6	0	0	0	113.7
535	S	25	Very low	29.1	Very low	96 Å²	96	146.3 Å²	146.3	67%	0.671	74%	0.741	S	S	*	*			trans	-76.4	161.6	138.4	67.2	0	0	0	0	109.3
536	N	27.3	Very low	28.8	Very low	134 Å²	134	143.8 Å²	143.8	72%	0.717	74%	0.741	S	S	*	*			trans	71.5	96.9	171.9	-43.7	8.4	0	0	0	114.7
537	I	30.3	Very low	28.2	Very low	169 Å²	169	141.2 Å²	141.2	87%	0.867	74%	0.744	S	S	*	*				-148.4	139.3	93.1	-92.8	156.1	0	0	0	107.2
538	E	24.5	Very low	28	Very low	170 Å²	170	141 Å²	141	79%	0.794	75%	0.748	S	S	*	*			trans	-74.7	147.6	174.3	-63.1	133.7	137.3	0	0	109.8
539	D	27.3	Very low	27.8	Very low	133 Å²	133	141.4 Å²	141.4	71%	0.711	76%	0.756	S	S	*	*				-175.5	159.6	95	-132.5	-14.6	0	0	0	115.7
540	Q	28	Very low	27.5	Very low	152 Å²	152	142.8 Å²	142.8	71%	0.71	76%	0.764	S	S	*	*			trans	59.2	125.3	151	-72.7	163	56.8	0	0	122.9
541	S	28.2	Very low	27.2	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	76%	0.763	S	S	*	*			trans	70.4	139.8	140.9	71.8	0	0	0	0	119.9
542	E	26.8	Very low	27.3	Very low	179 Å²	179	138.3 Å²	138.3	84%	0.836	76%	0.76	S	S	*	*			cis	-161	179.6	-21.5	-130.4	167.7	-167.6	0	0	109.8
543	S	28.2	Very low	27.1	Very low	94 Å²	94	135.8 Å²	135.8	66%	0.657	75%	0.754	S	S	*	*			trans	59	109.5	156.7	57.6	0	0	0	0	121.4
544	D	28.7	Very low	27.2	Very low	135 Å²	135	134.4 Å²	134.4	72%	0.722	75%	0.752	S	S	*	*				107.6	110.2	110.8	-74.9	15.2	0	0	0	123.8
545	F	30.7	Very low	27	Very low	176 Å²	176	138.5 Å²	138.5	77%	0.772	76%	0.758	S	S	*	*			trans	79.7	107.3	135.8	-76.4	-67.4	0	0	0	123.7
546	S	29.2	Very low	27.1	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	77%	0.765	S	S	*	*			trans	81.2	107	131.2	60.1	0	0	0	0	120.9
547	S	23.1	Very low	26.9	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	77%	0.767	S	S	*	*			trans	-60.3	174.2	144	57.8	0	0	0	0	111.2
548	P	29	Very low	26.6	Very low	107 Å²	107	142.2 Å²	142.2	70%	0.695	76%	0.757	S	S	*	*			cis	-149	156.5	30.2	43.2	-21.9	0	0	0	121.2
549	Q	24.3	Very low	26.6	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	76%	0.756	S	S	*	*			trans	51.5	134.2	134.9	-66.6	-168.4	-3.6	0	0	124.4
550	L	24.6	Very low	26.6	Very low	158 Å²	158	142 Å²	142	83%	0.827	76%	0.755	S	S	*	*			trans	84	165.7	140.4	-74.7	164.6	0	0	0	119.9
551	S	23	Very low	26.3	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	76%	0.756	S	S	*	*			trans	-150.1	-161.7	-151.7	67.9	0	0	0	0	109.2
552	P	30.4	Very low	26.4	Very low	109 Å²	109	142.6 Å²	142.6	71%	0.708	76%	0.763	S	S	*	*			cis	-125.1	166.9	-24.6	37.7	-24.3	0	0	0	112.5
553	C	23.4	Very low	26.2	Very low	117 Å²	117	141.4 Å²	141.4	79%	0.791	76%	0.76	S	S	*	*			trans	-145.4	147.8	168.9	-90	0	0	0	0	115.5
554	D	29.8	Very low	26.2	Very low	150 Å²	150	144.7 Å²	144.7	80%	0.802	77%	0.768	S	S	*	*			trans	57.8	132.8	151.6	-62.6	-33.1	0	0	0	125.1
555	R	25.1	Very low	26	Very low	238 Å²	238	144.8 Å²	144.8	90%	0.898	77%	0.768	S	S	*	*			trans	-96.2	152.7	143.8	-68.9	-176.1	177.4	-151.9	1.4	108.9
556	P	27.4	Very low	25.9	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	77%	0.77	S	S	*	*				-128	-148.8	127.2	35.6	-26.1	0	0	0	113.2
557	R	23.4	Very low	25.9	Very low	205 Å²	205	148.5 Å²	148.5	77%	0.774	78%	0.777	S	S	*	*			trans	-137.9	169.9	-158.6	-53	171.8	-175.2	161.6	1.1	112
558	F	23.9	Very low	26.2	Very low	148 Å²	148	147.2 Å²	147.2	65%	0.649	77%	0.766	S	S	*	*			trans	100.9	129.3	137	-74.3	-47.9	0	0	0	122.2
559	Y	24.4	Very low	26.2	Very low	200 Å²	200	148.2 Å²	148.2	78%	0.784	77%	0.772	S	S	*	*			trans	76.5	145.5	137.3	-80.2	-59.5	0	0	0	124.7
560	S	26.4	Very low	26.5	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	77%	0.774	S	S	*	*			trans	60.1	101.6	151.5	51.5	0	0	0	0	120.8
561	S	23.3	Very low	27	Very low	106 Å²	106	148.7 Å²	148.7	74%	0.741	78%	0.775	S	S	*	*				32.2	105.2	115.7	-46.7	0	0	0	0	119
562	N	29.1	Very low	27.4	Very low	165 Å²	165	150.3 Å²	150.3	88%	0.882	77%	0.771	S	S	*	*				-170.6	159.2	105.9	-90.8	-22.5	0	0	0	111.3
563	M	22.5	Very low	27.3	Very low	155 Å²	155	150 Å²	150	76%	0.764	77%	0.769	S	S	*	*			trans	-83.2	136.4	179	-67.7	179.2	69.3	0	0	111.9	L565	M563-L565 HydrophobicContact CE-CD2 4.29Å; M563-L565 HydrophobicContact CE-CG 4.39Å
564	I	29	Very low	27.7	Very low	162 Å²	162	148.1 Å²	148.1	83%	0.831	76%	0.757	S	S	*	*			trans	-127.6	131.6	150.6	-62.8	-177.6	0	0	0	107.4
565	L	24.5	Very low	28	Very low	137 Å²	137	146.8 Å²	146.8	72%	0.717	75%	0.747	S	S	*	*			trans	-89.6	120.3	-176.6	-79.4	159.7	0	0	0	111	M563	M563-L565 HydrophobicContact CE-CD2 4.29Å; M563-L565 HydrophobicContact CE-CG 4.39Å
566	L	28.4	Very low	28.4	Very low	158 Å²	158	142.9 Å²	142.9	83%	0.827	74%	0.737	S	S	*	*			trans	-121.6	142.1	164.8	-69.5	174.1	0	0	0	109.9
567	K	29.4	Very low	28.8	Very low	203 Å²	203	142.1 Å²	142.1	88%	0.883	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-79.3	131.4	-172.9	-64.3	174	-178.4	171.3	0	110.8
568	P	28.3	Very low	29.4	Very low	80 Å²	80	138 Å²	138	52%	0.519	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-75.6	145	176	30.3	-34.1	0	0	0	112.2	Y579	P568-Y579 HydrophobicContact CG-CE2 4.3Å
569	P	30.5	Very low	30.1	Very low	128 Å²	128	136 Å²	136	83%	0.831	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71	168.9	175.8	-19.7	33.4	0	0	0	114.9	H571	P569-H571 PolarHBondContact O-N 2.65Å
570	N	29.9	Very low	30.9	Very low	157 Å²	157	130.5 Å²	130.5	84%	0.84	69%	0.685	S	S	*	*			trans	-77.4	112.4	178.3	-63.5	-47.7	0	0	0	112.3
571	H	34.3	Very low	31.6	Very low	183 Å²	183	129.4 Å²	129.4	85%	0.847	67%	0.674	S	S	*	*			trans	-159.8	145.1	150	-93.9	-66.8	0	0	0	112.9	P569	P569-H571 PolarHBondContact O-N 2.65Å
572	H	31.2	Very low	32.5	Very low	133 Å²	133	128.6 Å²	128.6	62%	0.616	66%	0.659	S	S	*	*			trans	51.7	124.7	168.4	-140.7	-105.2	0	0	0	120.4	C574 M575	H572-C574 VanDerWaalsContact C-N 3.33Å; H572-C574 PolarHBondContact ND1-SG 3.37Å; H572-C574 PolarHBondContact O-N 2.75Å; H572-C574 VanDerWaalsContact O-N 3.16Å; H572-M575 PolarHBondContact O-N 3.07Å
573	P	29.9	Very low	33	Very low	102 Å²	102	124.5 Å²	124.5	66%	0.662	63%	0.634	S	S	*	*	H	α-helix	trans	-57.2	-33.1	-176.7	-27.8	35.6	0	0	0	116.4	M575 K576	P573-M575 VanDerWaalsContact C-N 3.32Å; P573-M575 PolarHBondContact O-N 3.37Å; P573-K576 WeakPolarHBondContact O-CB 3.49Å; P573-K576 PolarHBondContact O-N 3.29Å
574	C	31.7	Very low	33.9	Very low	79 Å²	79	121.7 Å²	121.7	53%	0.534	62%	0.621	S	S	.	*	H	α-helix	trans	-68.7	-28.8	-178.7	67.7	0	0	0	0	113.3	H572 K576 L577 K578	H572-C574 VanDerWaalsContact C-N 3.33Å; H572-C574 PolarHBondContact ND1-SG 3.37Å; H572-C574 PolarHBondContact O-N 2.75Å; H572-C574 VanDerWaalsContact O-N 3.16Å; C574-K576 VanDerWaalsContact C-N 3.3Å; C574-K576 PolarHBondContact O-N 2.88Å; C574-L577 PolarHBondContact O-N 3.5Å; C574-K578 PolarHBondContact O-N 2.8Å
575	M	35.9	Very low	34.4	Very low	122 Å²	122	120 Å²	120	60%	0.601	61%	0.613	S	S	*	*	H	α-helix	trans	-68.8	-31.7	175.9	-69.7	-65.5	-116.9	0	0	111.6	H572 P573 L577 K578 Y579	H572-M575 PolarHBondContact O-N 3.07Å; P573-M575 VanDerWaalsContact C-N 3.32Å; P573-M575 PolarHBondContact O-N 3.37Å; M575-L577 VanDerWaalsContact C-N 3.31Å; M575-L577 PolarHBondContact O-N 3.38Å; M575-K578 PolarHBondContact O-N 2.89Å; M575-Y579 WeakPolarHBondContact O-CB 3.44Å; M575-Y579 PolarHBondContact O-N 3.28Å
576	K	32.7	Very low	35.1	Very low	156 Å²	156	118.7 Å²	118.7	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-58.9	-42	175.4	-123.2	174.2	-174.8	175.4	0	111.7	P573 C574 I580	P573-K576 WeakPolarHBondContact O-CB 3.49Å; P573-K576 PolarHBondContact O-N 3.29Å; C574-K576 VanDerWaalsContact C-N 3.3Å; C574-K576 PolarHBondContact O-N 2.88Å; K576-I580 WeakPolarHBondContact O-CB 3.2Å; K576-I580 WeakPolarHBondContact O-CD1 3.4Å; K576-I580 WeakPolarHBondContact O-CG1 3.16Å; K576-I580 PolarHBondContact O-N 3.37Å
577	L	36.1	Very low	35.5	Very low	108 Å²	108	114.6 Å²	114.6	57%	0.565	60%	0.596	S	S	*	*	H	α-helix	trans	-67.7	-40.1	175.5	-91	164.2	0	0	0	112.7	C574 M575 T581	C574-L577 PolarHBondContact O-N 3.5Å; M575-L577 VanDerWaalsContact C-N 3.31Å; M575-L577 PolarHBondContact O-N 3.38Å; L577-T581 WeakPolarHBondContact O-CB 3.43Å; L577-T581 PolarHBondContact O-N 3.07Å; L577-T581 PolarHBondContact O-OG1 3.43Å
578	K	36.7	Very low	35.8	Very low	119 Å²	119	111.6 Å²	111.6	52%	0.517	58%	0.582	S	S	.	*	H	α-helix	trans	-63.4	-48.1	176.3	-165.9	176.3	-169.2	-83.8	0	111.4	C574 M575 I580 T581 E582	C574-K578 PolarHBondContact O-N 2.8Å; M575-K578 PolarHBondContact O-N 2.89Å; K578-I580 PolarHBondContact O-N 2.98Å; K578-T581 PolarHBondContact O-N 3.21Å; K578-E582 WeakPolarHBondContact CE-OE1 3.44Å; K578-E582 IonicContact NZ-OE1 2.79Å; K578-E582 PolarHBondContact NZ-OE1 3.49Å; K578-E582 PolarHBondContact O-N 2.94Å
579	Y	38.9	Very low	36.1	Very low	105 Å²	105	112.1 Å²	112.1	41%	0.412	59%	0.588	S	S	.	*	H	α-helix	trans	-60.1	-46.1	177.3	-174.9	-97.3	0	0	0	112.1	P568 M575 T581 E582 Q583	P568-Y579 HydrophobicContact CG-CE2 4.3Å; M575-Y579 WeakPolarHBondContact O-CB 3.44Å; M575-Y579 PolarHBondContact O-N 3.28Å; Y579-T581 VanDerWaalsContact C-N 3.32Å; Y579-T581 PolarHBondContact O-N 3.49Å; Y579-E582 PolarHBondContact O-N 2.87Å; Y579-Q583 HydrophobicContact CD1-CG 4.14Å; Y579-Q583 HydrophobicContact CE1-CG 3.9Å; Y579-Q583 HydrophobicContact CE2-CG 4.49Å; Y579-Q583 WeakPolarHBondContact O-CB 3.19Å; Y579-Q583 VanDerWaalsContact O-CG 3.26Å; Y579-Q583 WeakPolarHBondContact O-CG 3.3Å; Y579-Q583 PolarHBondContact O-N 3.43Å
580	I	40.9	Very low	36.2	Very low	85 Å²	85	111.1 Å²	111.1	44%	0.436	58%	0.579	S	S	.	*	H	α-helix	trans	-62.7	-38.9	176.3	-71	166.7	0	0	0	111.3	K576 K578 I584	K576-I580 WeakPolarHBondContact O-CB 3.2Å; K576-I580 WeakPolarHBondContact O-CD1 3.4Å; K576-I580 WeakPolarHBondContact O-CG1 3.16Å; K576-I580 PolarHBondContact O-N 3.37Å; K578-I580 PolarHBondContact O-N 2.98Å; I580-I584 HydrophobicContact CG2-CD1 3.66Å; I580-I584 HydrophobicContact CG2-CG1 4.42Å; I580-I584 WeakPolarHBondContact O-CB 3.31Å; I580-I584 VanDerWaalsContact O-CG1 3.23Å; I580-I584 WeakPolarHBondContact O-CG1 3.36Å; I580-I584 PolarHBondContact O-N 3.31Å
581	T	40.5	Very low	36.3	Very low	74 Å²	74	112.8 Å²	112.8	45%	0.454	58%	0.58	S	S	.	*	H	α-helix	trans	-67.4	-43.1	178.6	-54.9	0	0	0	0	111.9	L577 K578 Y579 I584 L585	L577-T581 WeakPolarHBondContact O-CB 3.43Å; L577-T581 PolarHBondContact O-N 3.07Å; L577-T581 PolarHBondContact O-OG1 3.43Å; K578-T581 PolarHBondContact O-N 3.21Å; Y579-T581 VanDerWaalsContact C-N 3.32Å; Y579-T581 PolarHBondContact O-N 3.49Å; T581-I584 PolarHBondContact O-N 3.43Å; T581-L585 HydrophobicContact CG2-CD1 4.24Å; T581-L585 WeakPolarHBondContact O-CG 3.38Å; T581-L585 PolarHBondContact O-N 2.93Å
582	E	41.3	Very low	36.1	Very low	90 Å²	90	111.9 Å²	111.9	42%	0.421	58%	0.581	S	S	.	*	H	α-helix	trans	-67.4	-39.8	176.7	-73.4	174.2	-169	0	0	111.9	K578 Y579 L585 L586	K578-E582 WeakPolarHBondContact CE-OE1 3.44Å; K578-E582 IonicContact NZ-OE1 2.79Å; K578-E582 PolarHBondContact NZ-OE1 3.49Å; K578-E582 PolarHBondContact O-N 2.94Å; Y579-E582 PolarHBondContact O-N 2.87Å; E582-L585 PolarHBondContact O-N 3.38Å; E582-L586 WeakPolarHBondContact O-CG 3.17Å; E582-L586 PolarHBondContact O-N 3.27Å
583	Q	39.3	Very low	36	Very low	78 Å²	78	111.5 Å²	111.5	36%	0.364	59%	0.588	S	S	.	*	H	α-helix	trans	-65.7	-37.6	174.1	-68.8	-66.1	-10.3	0	0	112.7	Y579 L585 L586 A587	Y579-Q583 HydrophobicContact CD1-CG 4.14Å; Y579-Q583 HydrophobicContact CE1-CG 3.9Å; Y579-Q583 HydrophobicContact CE2-CG 4.49Å; Y579-Q583 WeakPolarHBondContact O-CB 3.19Å; Y579-Q583 VanDerWaalsContact O-CG 3.26Å; Y579-Q583 WeakPolarHBondContact O-CG 3.3Å; Y579-Q583 PolarHBondContact O-N 3.43Å; Q583-L585 VanDerWaalsContact C-N 3.3Å; Q583-L585 PolarHBondContact O-N 2.93Å; Q583-L586 PolarHBondContact O-N 3.4Å; Q583-A587 VanDerWaalsContact O-CB 3.25Å; Q583-A587 WeakPolarHBondContact O-CB 3.26Å; Q583-A587 PolarHBondContact O-N 3.19Å
584	I	41.4	Very low	36	Very low	96 Å²	96	113.2 Å²	113.2	49%	0.492	59%	0.591	S	S	.	*	H	α-helix	trans	-68.3	-30	174.7	-72.4	169.6	0	0	0	111.9	I580 T581	I580-I584 HydrophobicContact CG2-CD1 3.66Å; I580-I584 HydrophobicContact CG2-CG1 4.42Å; I580-I584 WeakPolarHBondContact O-CB 3.31Å; I580-I584 VanDerWaalsContact O-CG1 3.23Å; I580-I584 WeakPolarHBondContact O-CG1 3.36Å; I580-I584 PolarHBondContact O-N 3.31Å; T581-I584 PolarHBondContact O-N 3.43Å
585	L	41.5	Very low	36	Very low	127 Å²	127	118.5 Å²	118.5	67%	0.665	61%	0.608	S	S	*	*	H	α-helix	trans	-75.3	-35.2	173.9	-73.9	166.6	0	0	0	112.5	T581 E582 Q583	T581-L585 HydrophobicContact CG2-CD1 4.24Å; T581-L585 WeakPolarHBondContact O-CG 3.38Å; T581-L585 PolarHBondContact O-N 2.93Å; E582-L585 PolarHBondContact O-N 3.38Å; Q583-L585 VanDerWaalsContact C-N 3.3Å; Q583-L585 PolarHBondContact O-N 2.93Å
586	L	38.2	Very low	35.7	Very low	110 Å²	110	117.8 Å²	117.8	58%	0.576	61%	0.612	S	S	*	*	H	α-helix	trans	-76	-37.8	175.6	-73.7	165.7	0	0	0	112.9	E582 Q583 K588 S589	E582-L586 WeakPolarHBondContact O-CG 3.17Å; E582-L586 PolarHBondContact O-N 3.27Å; Q583-L586 PolarHBondContact O-N 3.4Å; L586-K588 PolarHBondContact O-N 2.94Å; L586-K588 VanDerWaalsContact O-N 3.12Å; L586-S589 PolarHBondContact O-N 3.36Å; L586-S589 PolarHBondContact O-OG 2.72Å
587	A	36	Very low	35.3	Very low	72 Å²	72	120 Å²	120	60%	0.595	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-14.6	179	0	0	0	0	0	113.8	Q583	Q583-A587 VanDerWaalsContact O-CB 3.25Å; Q583-A587 WeakPolarHBondContact O-CB 3.26Å; Q583-A587 PolarHBondContact O-N 3.19Å
588	K	36.8	Very low	35	Very low	139 Å²	139	125 Å²	125	60%	0.604	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	6.2	-179.9	-81	-168.7	164.5	-165.7	0	115.2	L586 H606	L586-K588 PolarHBondContact O-N 2.94Å; L586-K588 VanDerWaalsContact O-N 3.12Å; K588-H606 PolarHBondContact NZ-CD2 2.69Å; K588-H606 PolarHBondContact NZ-CE1 2.87Å; K588-H606 PolarHBondContact NZ-NE2 2.92Å
589	S	34.9	Very low	34.4	Very low	91 Å²	91	131.2 Å²	131.2	64%	0.636	66%	0.659	S	S	*	*	S	Bend	trans	-115.4	4.4	179.5	57.9	0	0	0	0	115.3	L586	L586-S589 PolarHBondContact O-N 3.36Å; L586-S589 PolarHBondContact O-OG 2.72Å
590	V	32	Very low	33.9	Very low	107 Å²	107	131.3 Å²	131.3	65%	0.648	68%	0.675	S	S	*	*	S	Bend	trans	-132.6	32.3	-170.4	-154.4	0	0	0	0	114
591	F	31.6	Very low	33.2	Very low	193 Å²	193	135.4 Å²	135.4	85%	0.846	70%	0.698	S	S	*	*			trans	-147.8	95.1	167.2	-82.2	-73.2	0	0	0	111.8
592	D	30.2	Very low	32.5	Very low	163 Å²	163	136.4 Å²	136.4	87%	0.872	71%	0.708	S	S	*	*				177.4	110.4	126.7	-101.6	-14.3	0	0	0	109.9
593	V	30.2	Very low	31.9	Very low	125 Å²	125	144.4 Å²	144.4	76%	0.758	73%	0.734	S	S	*	*			trans	-128	134.8	172.3	178.6	0	0	0	0	107.1
594	N	30.1	Very low	31.3	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	75%	0.748	S	S	*	*			trans	73	91.1	-176.3	-50.3	-39.4	0	0	0	116.2
595	H	31.5	Very low	30.7	Very low	189 Å²	189	145 Å²	145	88%	0.875	75%	0.751	S	S	*	*				-163.5	151.4	110.2	-98.7	-69	0	0	0	111.3
596	P	28.5	Very low	30.1	Very low	107 Å²	107	145.5 Å²	145.5	70%	0.695	75%	0.75	S	S	*	*			trans	-97.9	126.9	-160.8	35	-34.1	0	0	0	116.7
597	K	25.5	Very low	29.7	Very low	202 Å²	202	150.7 Å²	150.7	88%	0.878	76%	0.762	S	S	*	*			trans	46.6	95.7	137.9	-59.2	174.4	-178.1	169.9	0	119.1
598	K	28.7	Very low	29.2	Very low	213 Å²	213	150.9 Å²	150.9	93%	0.926	77%	0.771	S	S	*	*				-136.6	145.5	127.5	-99.6	178.2	-177.6	175.2	0	109.2
599	R	23.6	Very low	28.8	Very low	251 Å²	251	154 Å²	154	95%	0.947	79%	0.785	S	S	*	*			trans	-92.4	119.7	-169.2	-89.3	178	162.4	161.5	-6.5	112.4
600	S	28.5	Very low	28.4	Very low	106 Å²	106	156.3 Å²	156.3	74%	0.741	79%	0.79	S	S	*	*			trans	-150.4	114	157.6	53.3	0	0	0	0	109.9	S602	S600-S602 PolarHBondContact O-N 3.07Å; S600-S602 VanDerWaalsContact O-N 3.16Å
601	N	26.1	Very low	28.5	Very low	172 Å²	172	158.7 Å²	158.7	92%	0.92	80%	0.798	S	S	*	*			trans	-81.8	93.8	-178.5	-77.2	4.5	0	0	0	110.9
602	S	25.9	Very low	28.2	Very low	94 Å²	94	155.1 Å²	155.1	66%	0.657	79%	0.788	S	S	*	*			trans	-144.7	108.5	165.7	-174.4	0	0	0	0	109.2	S600	S600-S602 PolarHBondContact O-N 3.07Å; S600-S602 VanDerWaalsContact O-N 3.16Å
603	W	28.5	Very low	28.2	Very low	259 Å²	259	151.5 Å²	151.5	98%	0.981	78%	0.775	S	S	*	*			trans	-137.8	140.3	175.7	-94.6	71.3	0	0	0	110
604	S	27.1	Very low	28.2	Very low	93 Å²	93	156.2 Å²	156.2	65%	0.65	78%	0.781	S	S	*	*			trans	-137.6	143.1	-157.4	-61.1	0	0	0	0	112.3
605	V	28.7	Very low	28	Very low	92 Å²	92	158.8 Å²	158.8	56%	0.558	79%	0.786	S	S	*	*			trans	55.3	113.5	148.7	-179	0	0	0	0	119.3	R607	V605-R607 HydrophobicContact CG1-CG 3.89Å
606	H	29.8	Very low	27.7	Very low	138 Å²	138	154.5 Å²	154.5	64%	0.639	78%	0.776	S	S	*	*			trans	-138.9	101.6	134.8	-94.7	-77.5	0	0	0	106.1	K588	K588-H606 PolarHBondContact NZ-CD2 2.69Å; K588-H606 PolarHBondContact NZ-CE1 2.87Å; K588-H606 PolarHBondContact NZ-NE2 2.92Å
607	R	29	Very low	27.8	Very low	219 Å²	219	158 Å²	158	83%	0.826	78%	0.783	S	S	*	*				49	107.6	84.7	-78.5	-163	-102.6	-155.6	-1.8	112.3	V605	V605-R607 HydrophobicContact CG1-CG 3.89Å
608	G	25.7	Very low	27.8	Very low	76 Å²	76	160 Å²	160	78%	0.784	79%	0.785	S	S	*	*			trans	-96.3	-165.1	-169.3	0	0	0	0	0	115.3
609	F	29.5	Very low	27.9	Very low	206 Å²	206	156.1 Å²	156.1	90%	0.904	79%	0.785	S	S	*	*			trans	-127.4	159.4	177.9	-96.4	-93	0	0	0	111.2
610	N	26.6	Very low	28.1	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	77%	0.773	S	S	*	*			trans	-126.6	134.2	-172	-177.5	10.9	0	0	0	109.2
611	L	32.3	Very low	28.2	Very low	156 Å²	156	150.3 Å²	150.3	82%	0.817	77%	0.772	S	S	*	*			trans	-139.3	115.3	170.2	-94.5	103.8	0	0	0	110.1
612	N	27.1	Very low	28.5	Very low	118 Å²	118	147.7 Å²	147.7	63%	0.631	76%	0.757	S	S	*	*			trans	-139	99.2	173.2	-132.4	5.1	0	0	0	107.2
613	S	28.3	Very low	28.5	Very low	87 Å²	87	150.9 Å²	150.9	61%	0.608	76%	0.762	S	S	*	*			trans	-179.8	154.4	160.8	29.5	0	0	0	0	113.9
614	Y	31.2	Very low	28.6	Very low	224 Å²	224	144 Å²	144	88%	0.878	75%	0.753	S	S	*	*			trans	105.2	152.2	162.2	-53.2	-60.2	0	0	0	117.5
615	K	25.3	Very low	28.6	Very low	194 Å²	194	148.3 Å²	148.3	84%	0.843	76%	0.763	S	S	*	*			trans	-151.9	158.8	-146.8	-137.3	-170.1	-173.5	-171.1	0	108.7
616	C	25.8	Very low	28.6	Very low	98 Å²	98	151.2 Å²	151.2	66%	0.662	78%	0.775	S	S	*	*			trans	68.6	156.7	169.7	-59.8	0	0	0	0	114.9
617	E	29.8	Very low	28.7	Very low	182 Å²	182	152.4 Å²	152.4	85%	0.85	78%	0.781	S	S	*	*			cis	-142.4	-171.6	-3.9	-141.2	124.6	-118.6	0	0	111.3
618	R	25.6	Very low	28.7	Very low	244 Å²	244	148.2 Å²	148.2	92%	0.921	77%	0.769	S	S	*	*			trans	-104.9	137.5	-174	-87.9	176.5	160.3	155.9	-9.9	113.8
619	S	31.2	Very low	28.8	Very low	131 Å²	131	148.7 Å²	148.7	92%	0.916	76%	0.761	S	S	*	*			trans	-160.7	169.6	138.9	45.4	0	0	0	0	109.3
620	S	27.7	Very low	28.8	Very low	99 Å²	99	144.7 Å²	144.7	69%	0.692	75%	0.753	S	S	*	*			trans	-130.6	154.5	-169	57.4	0	0	0	0	112.7
621	N	31.2	Very low	28.7	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	75%	0.753	S	S	*	*				-176.3	-169.6	119.4	-84.7	-4.5	0	0	0	111
622	L	31.6	Very low	28.6	Very low	116 Å²	116	138 Å²	138	61%	0.607	74%	0.737	S	S	*	*			trans	-100.1	155.1	-148.6	-75.8	70.9	0	0	0	116.2	Y528	Y528-L622 PolarHBondContact OH-O 3.36Å; Y528-L622 VanDerWaalsContact OH-O 3.12Å
623	E	26.6	Very low	28.6	Very low	162 Å²	162	138.6 Å²	138.6	76%	0.757	74%	0.744	S	S	*	*			trans	55.2	119.7	137.5	-69.8	161.9	-167.5	0	0	123
624	S	30.8	Very low	28.6	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	73%	0.728	S	S	*	*			trans	-155.9	149.6	134.4	-59.2	0	0	0	0	108.3
625	E	27.7	Very low	29	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	71%	0.714	S	S	*	*			trans	-97.2	-171.8	174.5	-60.2	-158.1	110.9	0	0	112.4	E627	E625-E627 PolarHBondContact O-N 3.36Å
626	D	28.7	Very low	30.1	Very low	153 Å²	153	124.7 Å²	124.7	82%	0.818	68%	0.684	S	S	*	*			trans	77.1	-3.2	165.9	-66.9	-24.7	0	0	0	123.3	F628	D626-F628 PolarHBondContact O-N 3.35Å; D626-F628 VanDerWaalsContact O-N 3.17Å
627	E	30.3	Very low	31.4	Very low	163 Å²	163	122.7 Å²	122.7	76%	0.762	67%	0.671	S	S	*	*			trans	-88.5	71.8	172.5	-69.1	-143.9	138.7	0	0	115.3	E625	E625-E627 PolarHBondContact O-N 3.36Å
628	F	30	Very low	32.6	Very low	130 Å²	130	119.2 Å²	119.2	57%	0.57	66%	0.659	S	S	*	*			trans	-128.2	18.2	166.6	-161.4	-103.7	0	0	0	114.6	D626 P636	D626-F628 PolarHBondContact O-N 3.35Å; D626-F628 VanDerWaalsContact O-N 3.17Å; F628-P636 VanDerWaalsContact CE1-CD 3.47Å; F628-P636 HydrophobicContact CE1-CG 4.2Å; F628-P636 HydrophobicContact CZ-CG 4Å
629	S	28	Very low	34.5	Very low	87 Å²	87	108 Å²	108	61%	0.608	62%	0.617	S	S	*	*	S	Bend	trans	-102.6	-21.7	-163.1	-66.4	0	0	0	0	116.4
630	T	28.6	Very low	36.7	Very low	122 Å²	122	106.5 Å²	106.5	75%	0.748	60%	0.596	S	S	*	*	S	Bend	trans	-138.4	32.2	-147.4	33	0	0	0	0	117.8
631	C	25.9	Very low	39.6	Very low	109 Å²	109	104.3 Å²	104.3	74%	0.736	57%	0.574	S	S	*	*	S	Bend	trans	-161.1	146.5	152.2	-110.9	0	0	0	0	115.2
632	G	29.4	Very low	42.4	Very low	46 Å²	46	99.5 Å²	99.5	47%	0.474	55%	0.548	S	S	.	.	S	Bend	trans	90.4	28.6	157.5	0	0	0	0	0	119.1	Q516	Q516-G632 PolarHBondContact NE2-O 2.92Å
633	T	27	Very low	45.3	Very low	129 Å²	129	94.2 Å²	94.2	79%	0.791	52%	0.521	S	S	*	.	S	Bend	trans	39.2	85.1	163	56.3	0	0	0	0	116.9
634	G	29	Very low	48.3	Very low	26 Å²	26	89.3 Å²	89.3	27%	0.268	50%	0.503	S	S	.	.			trans	148.9	96.1	169.6	0	0	0	0	0	110.9	Q516 D638	Q516-G634 PolarHBondContact NE2-O 3.39Å; Q516-G634 PolarHBondContact OE1-O 3.25Å; G634-D638 VanDerWaalsContact CA-OD2 3.27Å; G634-D638 WeakPolarHBondContact CA-OD2 3.37Å
635	R	38.6	Very low	51.1	Low	154 Å²	154	86 Å²	86	58%	0.581	47%	0.474	S	S	*	.			trans	-62.2	157.2	162.2	-76.4	-177.4	168.9	179.2	-3.8	108.6	S637 D638	R635-S637 PolarHBondContact O-N 2.94Å; R635-S637 VanDerWaalsContact O-N 3.1Å; R635-D638 PolarHBondContact N-OD2 3.42Å; R635-D638 WeakPolarHBondContact O-CA 3.35Å; R635-D638 VanDerWaalsContact O-CB 3.31Å; R635-D638 WeakPolarHBondContact O-CB 3.33Å; R635-D638 PolarHBondContact O-N 3.25Å
636	P	49.2	Very low	54.1	Low	34 Å²	34	84.7 Å²	84.7	22%	0.221	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-54.6	-28.1	167.5	-27.8	37	0	0	0	112.7	F628 D638 C639 W688 V710	F628-P636 VanDerWaalsContact CE1-CD 3.47Å; F628-P636 HydrophobicContact CE1-CG 4.2Å; F628-P636 HydrophobicContact CZ-CG 4Å; P636-D638 PolarHBondContact O-N 3.06Å; P636-C639 VanDerWaalsContact O-CB 3.27Å; P636-C639 WeakPolarHBondContact O-CB 3.43Å; P636-C639 PolarHBondContact O-N 3.38Å; P636-W688 HydrophobicContact CB-CH2 4.39Å; P636-W688 HydrophobicContact CB-CZ2 3.94Å; P636-V710 HydrophobicContact CB-CB 4.48Å; P636-V710 HydrophobicContact CB-CG1 3.71Å
637	S	51.6	Low	57.1	Low	56 Å²	56	82.1 Å²	82.1	39%	0.392	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-59.7	-26.7	170	-42.2	0	0	0	0	114.6	R635 C639 N642	R635-S637 PolarHBondContact O-N 2.94Å; R635-S637 VanDerWaalsContact O-N 3.1Å; S637-C639 VanDerWaalsContact C-N 3.25Å; S637-C639 PolarHBondContact O-N 2.72Å; S637-N642 WeakPolarHBondContact O-CB 3.47Å; S637-N642 PolarHBondContact O-ND2 3.12Å
638	D	55.7	Low	60.1	Low	109 Å²	109	74.7 Å²	74.7	58%	0.583	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-85.6	4.2	-179.6	-55.5	-26.2	0	0	0	112.3	G634 R635 P636 E640	G634-D638 VanDerWaalsContact CA-OD2 3.27Å; G634-D638 WeakPolarHBondContact CA-OD2 3.37Å; R635-D638 PolarHBondContact N-OD2 3.42Å; R635-D638 WeakPolarHBondContact O-CA 3.35Å; R635-D638 VanDerWaalsContact O-CB 3.31Å; R635-D638 WeakPolarHBondContact O-CB 3.33Å; R635-D638 PolarHBondContact O-N 3.25Å; P636-D638 PolarHBondContact O-N 3.06Å; D638-E640 PolarHBondContact O-N 3.01Å
639	C	65.3	Low	63.2	Low	7 Å²	7	75.6 Å²	75.6	5%	0.047	43%	0.428	C	S	.	.			trans	-61.1	129.2	168.5	-177.2	0	0	0	0	109.6	P636 S637 F641 N642	P636-C639 VanDerWaalsContact O-CB 3.27Å; P636-C639 WeakPolarHBondContact O-CB 3.43Å; P636-C639 PolarHBondContact O-N 3.38Å; S637-C639 VanDerWaalsContact C-N 3.25Å; S637-C639 PolarHBondContact O-N 2.72Å; C639-F641 PolarHBondContact O-N 2.91Å; C639-N642 HydrophobicContact CB-CB 4.28Å; C639-N642 VanDerWaalsContact O-CB 3.29Å; C639-N642 WeakPolarHBondContact O-CB 3.29Å; C639-N642 PolarHBondContact O-N 2.88Å
640	E	78.7	Confident	66.3	Low	101 Å²	101	74.3 Å²	74.3	47%	0.472	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.5	178.1	-178.5	160.4	-149.5	0	0	113.9	K505 D638	K505-E640 WeakPolarHBondContact CD-OE2 3.42Å; K505-E640 WeakPolarHBondContact CE-OE2 3.46Å; K505-E640 IonicContact NZ-OE1 3.71Å; K505-E640 PolarHBondContact NZ-OE1 3.02Å; K505-E640 IonicContact NZ-OE2 2.91Å; K505-E640 PolarHBondContact NZ-OE2 2.85Å; D638-E640 PolarHBondContact O-N 3.01Å
641	F	87	Confident	69.4	Low	53 Å²	53	72.4 Å²	72.4	23%	0.232	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	8.6	175.2	-60.4	-88.4	0	0	0	113.1	C639 I643 M695 F705 G707 V708	C639-F641 PolarHBondContact O-N 2.91Å; F641-I643 PolarHBondContact O-N 3.28Å; F641-M695 HydrophobicContact CD2-CE 3.71Å; F641-M695 HydrophobicContact CE2-CE 3.96Å; F641-F705 HydrophobicContact CB-CE1 3.87Å; F641-F705 HydrophobicContact CB-CZ 4.38Å; F641-F705 HydrophobicContact CD1-CD1 4.28Å; F641-F705 AromaticContact CD1-CE1 3.86Å; F641-F705 HydrophobicContact CD1-CE1 3.86Å; F641-F705 AromaticContact CG-CE1 3.93Å; F641-F705 HydrophobicContact CG-CE1 3.93Å; F641-G707 CarbonylContact O-C 3.53Å; F641-G707 WeakPolarHBondContact O-CA 3.29Å; F641-V708 PolarHBondContact O-N 3.02Å
642	N	90.7	Very high	72.7	Confident	35 Å²	35	75.5 Å²	75.5	19%	0.187	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-68.5	125.2	172.8	-173.8	42.4	0	0	0	109.5	S637 C639 V708 V710	S637-N642 WeakPolarHBondContact O-CB 3.47Å; S637-N642 PolarHBondContact O-ND2 3.12Å; C639-N642 HydrophobicContact CB-CB 4.28Å; C639-N642 VanDerWaalsContact O-CB 3.29Å; C639-N642 WeakPolarHBondContact O-CB 3.29Å; C639-N642 PolarHBondContact O-N 2.88Å; N642-V708 CarbonylContact C-O 3.44Å; N642-V708 VanDerWaalsContact CA-O 3.29Å; N642-V708 WeakPolarHBondContact CA-O 3.3Å; N642-V708 PolarHBondContact OD1-O 3.36Å; N642-V710 PolarHBondContact OD1-N 3.13Å
643	I	91.6	Very high	75.6	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.026	39%	0.389	C	S	.	.			trans	-112.2	117.8	175.5	-60.6	170.6	0	0	0	106.7	F641 F645 D647 I648 W667 V708 C709 V718	F641-I643 PolarHBondContact O-N 3.28Å; I643-F645 PolarHBondContact O-N 3.42Å; I643-D647 HydrophobicContact CG2-CB 4.46Å; I643-I648 HydrophobicContact CB-CD1 4.41Å; I643-I648 HydrophobicContact CG2-CD1 3.75Å; I643-I648 HydrophobicContact CG2-CG1 3.71Å; I643-W667 HydrophobicContact CD1-CD2 3.92Å; I643-W667 HydrophobicContact CD1-CE3 3.93Å; I643-W667 HydrophobicContact CD1-CH2 3.64Å; I643-W667 HydrophobicContact CD1-CZ2 3.64Å; I643-W667 HydrophobicContact CD1-CZ3 3.8Å; I643-W667 HydrophobicContact CG1-CH2 4.02Å; I643-W667 HydrophobicContact CG1-CZ2 3.65Å; I643-W667 HydrophobicContact CG2-CD2 4.32Å; I643-W667 HydrophobicContact CG2-CG 4.35Å; I643-W667 HydrophobicContact CG2-CZ2 4.19Å; I643-W667 VanDerWaalsContact CG2-NE1 3.34Å; I643-V708 PolarHBondContact N-O 3.21Å; I643-C709 PolarHBondContact O-SG 2.72Å; I643-V718 HydrophobicContact CD1-CB 4.11Å; I643-V718 HydrophobicContact CD1-CG1 4.37Å; I643-V718 HydrophobicContact CD1-CG2 3.98Å
644	P	90.4	Very high	78.6	Confident	58 Å²	58	72.1 Å²	72.1	38%	0.377	36%	0.364	S	S	.	.			trans	-54.2	128.3	172.9	-24.2	34	0	0	0	110.1	N646 D647 D711	P644-N646 PolarHBondContact O-N 3.37Å; P644-N646 VanDerWaalsContact O-N 3.08Å; P644-D647 WeakPolarHBondContact O-CB 3.39Å; P644-D647 PolarHBondContact O-N 3.24Å; P644-D711 WeakPolarHBondContact CA-OD2 3.45Å
645	F	90.3	Very high	81.3	Confident	46 Å²	46	72.3 Å²	72.3	20%	0.202	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-58.2	-32	-172.9	-169.7	-91.5	0	0	0	112.4	I643 D647 I648 L650 I675 C709 D711 A716	I643-F645 PolarHBondContact O-N 3.42Å; F645-D647 VanDerWaalsContact C-N 3.27Å; F645-D647 PolarHBondContact O-N 3.04Å; F645-I648 PolarHBondContact O-N 3.46Å; F645-I648 VanDerWaalsContact O-N 3.15Å; F645-L650 HydrophobicContact CZ-CD1 4.18Å; F645-I675 HydrophobicContact CE2-CD1 4.23Å; F645-I675 HydrophobicContact CE2-CG1 4.45Å; F645-I675 HydrophobicContact CZ-CD1 4.06Å; F645-C709 HydrophobicContact CB-CB 4.47Å; F645-C709 HydrophobicContact CD2-CB 4.04Å; F645-D711 PolarHBondContact N-OD2 3.34Å; F645-A716 HydrophobicContact CE2-CB 4.45Å
646	N	89.9	Confident	83.4	Confident	156 Å²	156	70.7 Å²	70.7	83%	0.834	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-64.1	-23.3	177.2	-66.9	-24.8	0	0	0	114.5	P644 I648	P644-N646 PolarHBondContact O-N 3.37Å; P644-N646 VanDerWaalsContact O-N 3.08Å; N646-I648 PolarHBondContact O-N 3.11Å
647	D	92.2	Very high	84.8	Confident	98 Å²	98	70.1 Å²	70.1	52%	0.524	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-75.9	-13.3	177.1	-69.1	-15.3	0	0	0	112.2	I643 P644 F645	I643-D647 HydrophobicContact CG2-CB 4.46Å; P644-D647 WeakPolarHBondContact O-CB 3.39Å; P644-D647 PolarHBondContact O-N 3.24Å; F645-D647 VanDerWaalsContact C-N 3.27Å; F645-D647 PolarHBondContact O-N 3.04Å
648	I	93.3	Very high	85.8	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.041	37%	0.368	C	S	.	.			trans	-99.6	102	-175.8	-52.4	-172.5	0	0	0	110.3	I643 F645 N646 L650 W667 V673 C709 V718	I643-I648 HydrophobicContact CB-CD1 4.41Å; I643-I648 HydrophobicContact CG2-CD1 3.75Å; I643-I648 HydrophobicContact CG2-CG1 3.71Å; F645-I648 PolarHBondContact O-N 3.46Å; F645-I648 VanDerWaalsContact O-N 3.15Å; N646-I648 PolarHBondContact O-N 3.11Å; I648-L650 HydrophobicContact CG2-CD2 4.17Å; I648-L650 PolarHBondContact O-N 3.4Å; I648-W667 HydrophobicContact CG1-CB 4.26Å; I648-W667 HydrophobicContact CG1-CG 4.28Å; I648-V673 HydrophobicContact CG2-CG2 3.71Å; I648-C709 WeakPolarHBondContact CD1-SG 3.31Å; I648-V718 HydrophobicContact CD1-CG2 3.56Å
649	K	94.7	Very high	86.9	Confident	149 Å²	149	72.1 Å²	72.1	65%	0.648	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	103.2	171.2	-178.1	172.4	-176.4	170	0	110.2	L651 G665 Q666	K649-L651 HydrophobicContact CG-CD2 4.29Å; K649-G665 CarbonylContact O-C 3.53Å; K649-G665 VanDerWaalsContact O-CA 3.29Å; K649-G665 WeakPolarHBondContact O-CA 3.23Å; K649-Q666 HydrophobicContact CB-CB 4.35Å; K649-Q666 PolarHBondContact N-O 3.02Å; K649-Q666 PolarHBondContact O-N 2.83Å
650	L	94.2	Very high	87.8	Confident	59 Å²	59	72.4 Å²	72.4	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	144.6	170.7	-58.2	-178.1	0	0	0	111.2	F645 I648 Y663 V673 I675	F645-L650 HydrophobicContact CZ-CD1 4.18Å; I648-L650 HydrophobicContact CG2-CD2 4.17Å; I648-L650 PolarHBondContact O-N 3.4Å; L650-Y663 HydrophobicContact CD2-CG 4.46Å; L650-V673 HydrophobicContact CD2-CB 4.18Å; L650-V673 HydrophobicContact CD2-CG1 4.13Å; L650-V673 HydrophobicContact CD2-CG2 4.16Å; L650-I675 HydrophobicContact CD1-CD1 3.77Å; L650-I675 HydrophobicContact CD2-CD1 4.16Å
651	L	93.9	Very high	88.2	Confident	83 Å²	83	67.6 Å²	67.6	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-137.7	-179.8	-53.3	174.8	0	0	0	108.4	K649 K664 Q666	K649-L651 HydrophobicContact CG-CD2 4.29Å; L651-K664 WeakPolarHBondContact CA-O 3.26Å; L651-K664 HydrophobicContact CB-CB 4.04Å; L651-K664 WeakPolarHBondContact CB-O 3.42Å; L651-K664 HydrophobicContact CD1-CB 4.37Å; L651-K664 PolarHBondContact N-O 3.41Å; L651-Q666 HydrophobicContact CD1-CB 4.42Å
652	R	93.8	Very high	88.4	Confident	173 Å²	173	65.2 Å²	65.2	65%	0.653	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.7	177	68.1	-176.8	179.9	117.2	-3.4	112.3	K664	R652-K664 HydrophobicContact CG-CB 4.21Å; R652-K664 HydrophobicContact CG-CG 4.07Å; R652-K664 PolarHBondContact O-N 3.13Å
653	C	91.7	Very high	88.6	Confident	51 Å²	51	66 Å²	66	35%	0.345	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.9	163	-169.9	0	0	0	0	109.8	Q655 Y663	C653-Q655 VanDerWaalsContact SG-C 3.51Å; C653-Q655 PolarHBondContact SG-O 3.45Å; C653-Y663 HydrophobicContact CB-CD1 3.95Å; C653-Y663 HydrophobicContact CB-CE1 3.71Å
654	L	88.7	Confident	88.7	Confident	53 Å²	53	66.6 Å²	66.6	28%	0.277	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-36.9	171.9	-65	176.3	0	0	0	111.5	I662 K664	L654-I662 WeakPolarHBondContact CA-O 3.4Å; L654-I662 WeakPolarHBondContact CB-O 3.2Å; L654-I662 HydrophobicContact CD1-CG2 4.29Å; L654-I662 PolarHBondContact N-O 3.12Å; L654-K664 HydrophobicContact CD1-CD 3.96Å; L654-K664 HydrophobicContact CD1-CG 4.05Å; L654-K664 HydrophobicContact CD2-CD 4.41Å; L654-K664 HydrophobicContact CD2-CG 3.87Å; L654-K664 HydrophobicContact CG-CD 4.45Å; L654-K664 HydrophobicContact CG-CG 4Å
655	Q	85.3	Confident	89	Confident	30 Å²	30	63.9 Å²	63.9	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	125.9	-177.5	178.5	57.8	65.4	0	0	108.2	C653 A661 I662 M789	C653-Q655 VanDerWaalsContact SG-C 3.51Å; C653-Q655 PolarHBondContact SG-O 3.45Å; Q655-A661 CarbonylContact O-C 3.49Å; Q655-A661 WeakPolarHBondContact O-CA 3.44Å; Q655-I662 HydrophobicContact CB-CB 4.26Å; Q655-I662 HydrophobicContact CB-CD1 4.21Å; Q655-I662 HydrophobicContact CB-CG1 4.28Å; Q655-I662 PolarHBondContact N-O 3.45Å; Q655-I662 PolarHBondContact O-N 3.26Å; Q655-M789 PolarHBondContact NE2-SD 3.45Å
656	K	84	Confident	89.2	Confident	121 Å²	121	65.7 Å²	65.7	53%	0.526	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.9	170	-178.3	159	-176.1	161	0	109.6
657	G	78.3	Confident	89.4	Confident	21 Å²	21	61.1 Å²	61.1	22%	0.216	29%	0.285	C	S	.	.			trans	-115.1	-160.5	162.7	0	0	0	0	0	110	K660 D791	G657-K660 WeakPolarHBondContact CA-O 3.38Å; G657-K660 PolarHBondContact N-O 3.26Å; G657-D791 WeakPolarHBondContact CA-OD1 3.48Å
658	E	73.1	Confident	89.4	Confident	141 Å²	141	64.9 Å²	64.9	66%	0.659	30%	0.3	S	S	*	.	S	Bend	trans	-81.8	-45.7	-175.3	-168.4	168.7	176	0	0	112.7	D791 K957	E658-D791 WeakPolarHBondContact CB-OD1 3.29Å; E658-D791 PolarHBondContact N-OD1 2.82Å; E658-K957 IonicContact OE2-NZ 3.75Å
659	R	77.5	Confident	89.4	Confident	67 Å²	67	65.7 Å²	65.7	25%	0.253	31%	0.31	S	S	.	.	S	Bend	trans	-120.1	12.8	179.2	-64.6	-178.1	65	-146.5	-1.6	114.3	E677 D678 E683	R659-E677 PolarHBondContact O-N 3.01Å; R659-D678 PolarHBondContact NH2-O 3.16Å; R659-E683 IonicContact CZ-OE1 3.41Å; R659-E683 IonicContact CZ-OE2 3.73Å; R659-E683 IonicContact NH1-OE1 2.73Å; R659-E683 PolarHBondContact NH1-OE1 3.37Å; R659-E683 IonicContact NH1-OE2 3.73Å; R659-E683 VanDerWaalsContact NH2-CD 3.35Å; R659-E683 IonicContact NH2-OE1 3.21Å; R659-E683 PolarHBondContact NH2-OE1 3.03Å; R659-E683 IonicContact NH2-OE2 2.79Å; R659-E683 PolarHBondContact NH2-OE2 3.31Å
660	K	83.9	Confident	89.4	Confident	13 Å²	13	63.6 Å²	63.6	6%	0.057	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	140.5	179.5	174.2	-174.4	167	-162	0	110.8	G657 I675 F676 D786 C792	G657-K660 WeakPolarHBondContact CA-O 3.38Å; G657-K660 PolarHBondContact N-O 3.26Å; K660-I675 VanDerWaalsContact CA-O 3.31Å; K660-I675 WeakPolarHBondContact CA-O 3.49Å; K660-I675 WeakPolarHBondContact CG-O 3.43Å; K660-F676 HydrophobicContact CB-CD1 4.37Å; K660-F676 HydrophobicContact CD-CD1 4.24Å; K660-F676 HydrophobicContact CD-CE1 3.78Å; K660-F676 HydrophobicContact CD-CZ 4.42Å; K660-F676 HydrophobicContact CG-CD1 4.17Å; K660-F676 HydrophobicContact CG-CE1 4.14Å; K660-D786 PolarHBondContact NZ-O 3Å; K660-C792 HydrophobicContact CD-CB 4.02Å; K660-C792 WeakPolarHBondContact CD-SG 3.39Å; K660-C792 PolarHBondContact NZ-SG 3.17Å
661	A	88.3	Confident	89.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.3	169.8	0	0	0	0	0	111.6	Q655 Y663 H674 I675	Q655-A661 CarbonylContact O-C 3.49Å; Q655-A661 WeakPolarHBondContact O-CA 3.44Å; A661-Y663 HydrophobicContact CB-CD2 3.98Å; A661-Y663 HydrophobicContact CB-CE2 3.45Å; A661-Y663 VanDerWaalsContact CB-CE2 3.45Å; A661-H674 CarbonylContact O-C 3.6Å; A661-H674 WeakPolarHBondContact O-CA 3.24Å; A661-I675 PolarHBondContact N-O 3.14Å; A661-I675 PolarHBondContact O-N 2.85Å
662	I	91.5	Very high	89.5	Confident	2 Å²	2	57 Å²	57	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.8	173.2	-46.5	178.6	0	0	0	107.1	L654 Q655 V673 Y787	L654-I662 WeakPolarHBondContact CA-O 3.4Å; L654-I662 WeakPolarHBondContact CB-O 3.2Å; L654-I662 HydrophobicContact CD1-CG2 4.29Å; L654-I662 PolarHBondContact N-O 3.12Å; Q655-I662 HydrophobicContact CB-CB 4.26Å; Q655-I662 HydrophobicContact CB-CD1 4.21Å; Q655-I662 HydrophobicContact CB-CG1 4.28Å; Q655-I662 PolarHBondContact N-O 3.45Å; Q655-I662 PolarHBondContact O-N 3.26Å; I662-V673 CarbonylContact C-O 3.53Å; I662-V673 WeakPolarHBondContact CA-O 3.37Å; I662-Y787 HydrophobicContact CD1-CD1 3.92Å; I662-Y787 HydrophobicContact CD1-CE1 4.33Å; I662-Y787 HydrophobicContact CD1-CG 4.12Å; I662-Y787 HydrophobicContact CG2-CE1 4.17Å
663	Y	93.7	Very high	89.5	Confident	53 Å²	53	48.7 Å²	48.7	21%	0.208	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.1	177.7	-73.4	-98.2	0	0	0	110.6	L650 C653 A661 D672 V673 I675	L650-Y663 HydrophobicContact CD2-CG 4.46Å; C653-Y663 HydrophobicContact CB-CD1 3.95Å; C653-Y663 HydrophobicContact CB-CE1 3.71Å; A661-Y663 HydrophobicContact CB-CD2 3.98Å; A661-Y663 HydrophobicContact CB-CE2 3.45Å; A661-Y663 VanDerWaalsContact CB-CE2 3.45Å; Y663-D672 WeakPolarHBondContact O-CA 3.22Å; Y663-V673 PolarHBondContact N-O 3.44Å; Y663-V673 PolarHBondContact O-N 2.86Å; Y663-I675 HydrophobicContact CD2-CD1 3.71Å; Y663-I675 HydrophobicContact CD2-CG1 4.38Å; Y663-I675 HydrophobicContact CE2-CD1 4Å
664	K	95.1	Very high	89.6	Confident	17 Å²	17	46.3 Å²	46.3	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.6	150.2	-73.1	-63.1	-178.2	-166.7	0	107.8	L651 R652 L654 D672 S722	L651-K664 WeakPolarHBondContact CA-O 3.26Å; L651-K664 HydrophobicContact CB-CB 4.04Å; L651-K664 WeakPolarHBondContact CB-O 3.42Å; L651-K664 HydrophobicContact CD1-CB 4.37Å; L651-K664 PolarHBondContact N-O 3.41Å; R652-K664 HydrophobicContact CG-CB 4.21Å; R652-K664 HydrophobicContact CG-CG 4.07Å; R652-K664 PolarHBondContact O-N 3.13Å; L654-K664 HydrophobicContact CD1-CD 3.96Å; L654-K664 HydrophobicContact CD1-CG 4.05Å; L654-K664 HydrophobicContact CD2-CD 4.41Å; L654-K664 HydrophobicContact CD2-CG 3.87Å; L654-K664 HydrophobicContact CG-CD 4.45Å; L654-K664 HydrophobicContact CG-CG 4Å; K664-D672 WeakPolarHBondContact CD-OD1 3.3Å; K664-D672 WeakPolarHBondContact CE-OD1 3.33Å; K664-D672 IonicContact NZ-OD1 2.64Å; K664-D672 PolarHBondContact NZ-OD1 2.99Å; K664-D672 IonicContact NZ-OD2 3.95Å; K664-S722 VanDerWaalsContact NZ-N 3.19Å; K664-S722 PolarHBondContact NZ-O 3.22Å; K664-S722 PolarHBondContact NZ-OG 2.99Å
665	G	95.4	Very high	89.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	168.5	169.4	0	0	0	0	0	111.3	K649 V671	K649-G665 CarbonylContact O-C 3.53Å; K649-G665 VanDerWaalsContact O-CA 3.29Å; K649-G665 WeakPolarHBondContact O-CA 3.23Å; G665-V671 PolarHBondContact N-O 3.23Å; G665-V671 WeakPolarHBondContact O-CG2 3.31Å; G665-V671 PolarHBondContact O-N 3.05Å
666	Q	95.7	Very high	89.8	Confident	85 Å²	85	42.8 Å²	42.8	40%	0.397	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.5	167.5	-175.2	73.1	17.8	0	0	108.5	K649 L651 G669	K649-Q666 HydrophobicContact CB-CB 4.35Å; K649-Q666 PolarHBondContact N-O 3.02Å; K649-Q666 PolarHBondContact O-N 2.83Å; L651-Q666 HydrophobicContact CD1-CB 4.42Å; Q666-G669 CarbonylContact C-O 3.5Å; Q666-G669 WeakPolarHBondContact CA-O 3.39Å; Q666-G669 PolarHBondContact OE1-O 3.32Å
667	W	94.2	Very high	89.7	Confident	59 Å²	59	39.8 Å²	39.8	22%	0.223	19%	0.19	C	C	.	.	S	Bend	trans	-148.1	108.3	173.2	-179.5	81.1	0	0	0	108.4	I643 I648 G669 V671 M706	I643-W667 HydrophobicContact CD1-CD2 3.92Å; I643-W667 HydrophobicContact CD1-CE3 3.93Å; I643-W667 HydrophobicContact CD1-CH2 3.64Å; I643-W667 HydrophobicContact CD1-CZ2 3.64Å; I643-W667 HydrophobicContact CD1-CZ3 3.8Å; I643-W667 HydrophobicContact CG1-CH2 4.02Å; I643-W667 HydrophobicContact CG1-CZ2 3.65Å; I643-W667 HydrophobicContact CG2-CD2 4.32Å; I643-W667 HydrophobicContact CG2-CG 4.35Å; I643-W667 HydrophobicContact CG2-CZ2 4.19Å; I643-W667 VanDerWaalsContact CG2-NE1 3.34Å; I648-W667 HydrophobicContact CG1-CB 4.26Å; I648-W667 HydrophobicContact CG1-CG 4.28Å; W667-G669 CarbonylContact C-O 3.6Å; W667-G669 PolarHBondContact N-O 3.49Å; W667-G669 PolarHBondContact O-N 3.06Å; W667-V671 HydrophobicContact CB-CG1 4.45Å; W667-V671 HydrophobicContact CB-CG2 4.11Å; W667-M706 HydrophobicContact CE3-CB 4.48Å; W667-M706 HydrophobicContact CZ3-CB 4.09Å
668	H	91	Very high	89.7	Confident	178 Å²	178	44.6 Å²	44.6	82%	0.824	21%	0.211	S	C	*	.	S	Bend	trans	47.6	14	-167	-61.8	-60.6	0	0	0	116.4
669	G	93.2	Very high	90	Very high	25 Å²	25	38.2 Å²	38.2	26%	0.258	18%	0.182	S	C	.	.	S	Bend	trans	153.5	-178.6	-170.4	0	0	0	0	0	110.2	Q666 W667	Q666-G669 CarbonylContact C-O 3.5Å; Q666-G669 WeakPolarHBondContact CA-O 3.39Å; Q666-G669 PolarHBondContact OE1-O 3.32Å; W667-G669 CarbonylContact C-O 3.6Å; W667-G669 PolarHBondContact N-O 3.49Å; W667-G669 PolarHBondContact O-N 3.06Å
670	E	94.7	Very high	90.1	Very high	105 Å²	105	37.3 Å²	37.3	49%	0.491	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.4	172.7	-62.4	175.2	110.4	0	0	110.5	A721 K723	E670-A721 VanDerWaalsContact C-CB 3.49Å; E670-A721 HydrophobicContact CB-CB 3.61Å; E670-A721 WeakPolarHBondContact O-CB 3.34Å; E670-A721 PolarHBondContact O-N 2.67Å; E670-K723 WeakPolarHBondContact OE2-CE 3.15Å; E670-K723 IonicContact OE2-NZ 3.66Å; E670-K723 PolarHBondContact OE2-NZ 3.03Å
671	V	96	Very high	89.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.3	176	-67.5	0	0	0	0	112	G665 W667 V673 M706 V718 T719	G665-V671 PolarHBondContact N-O 3.23Å; G665-V671 WeakPolarHBondContact O-CG2 3.31Å; G665-V671 PolarHBondContact O-N 3.05Å; W667-V671 HydrophobicContact CB-CG1 4.45Å; W667-V671 HydrophobicContact CB-CG2 4.11Å; V671-V673 HydrophobicContact CG2-CG2 3.85Å; V671-M706 HydrophobicContact CG1-CG 4.32Å; V671-V718 HydrophobicContact CB-CG1 3.75Å; V671-V718 HydrophobicContact CG1-CG1 3.89Å; V671-V718 HydrophobicContact CG2-CG1 3.93Å; V671-T719 WeakPolarHBondContact CA-O 3.37Å; V671-T719 WeakPolarHBondContact CB-O 3.33Å
672	D	94.9	Very high	89.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127	162.5	-80.3	25.2	0	0	0	108.2	Y663 K664 T719 A721 S722 Y787	Y663-D672 WeakPolarHBondContact O-CA 3.22Å; K664-D672 WeakPolarHBondContact CD-OD1 3.3Å; K664-D672 WeakPolarHBondContact CE-OD1 3.33Å; K664-D672 IonicContact NZ-OD1 2.64Å; K664-D672 PolarHBondContact NZ-OD1 2.99Å; K664-D672 IonicContact NZ-OD2 3.95Å; D672-T719 PolarHBondContact N-O 3.44Å; D672-T719 PolarHBondContact O-N 2.99Å; D672-A721 VanDerWaalsContact OD1-CA 3.23Å; D672-A721 WeakPolarHBondContact OD1-CA 3.45Å; D672-S722 PolarHBondContact OD1-N 3.27Å; D672-S722 PolarHBondContact OD1-OG 3.36Å; D672-S722 WeakPolarHBondContact OD2-CB 3.46Å; D672-S722 PolarHBondContact OD2-N 2.97Å; D672-S722 PolarHBondContact OD2-OG 3.19Å; D672-Y787 WeakPolarHBondContact OD2-CE1 3.44Å; D672-Y787 PolarHBondContact OD2-OH 3.08Å
673	V	94.2	Very high	88.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.1	-175.4	-169.9	0	0	0	0	108.1	I648 L650 I662 Y663 V671 I675 A716	I648-V673 HydrophobicContact CG2-CG2 3.71Å; L650-V673 HydrophobicContact CD2-CB 4.18Å; L650-V673 HydrophobicContact CD2-CG1 4.13Å; L650-V673 HydrophobicContact CD2-CG2 4.16Å; I662-V673 CarbonylContact C-O 3.53Å; I662-V673 WeakPolarHBondContact CA-O 3.37Å; Y663-V673 PolarHBondContact N-O 3.44Å; Y663-V673 PolarHBondContact O-N 2.86Å; V671-V673 HydrophobicContact CG2-CG2 3.85Å; V673-I675 HydrophobicContact CG1-CD1 4.45Å; V673-I675 HydrophobicContact CG1-CG1 3.89Å; V673-A716 HydrophobicContact CG1-CB 4.05Å
674	H	92.3	Very high	88.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.4	174.9	-55.4	-90.2	0	0	0	108.4	A661 F676 A716 I717 M785 Y787	A661-H674 CarbonylContact O-C 3.6Å; A661-H674 WeakPolarHBondContact O-CA 3.24Å; H674-F676 HydrophobicContact CB-CE2 4.01Å; H674-F676 HydrophobicContact CB-CZ 4.31Å; H674-F676 WeakPolarHBondContact O-CD2 3.35Å; H674-F676 VanDerWaalsContact O-CE2 3.3Å; H674-F676 WeakPolarHBondContact O-CE2 3.29Å; H674-A716 CarbonylContact O-C 3.51Å; H674-A716 WeakPolarHBondContact O-CA 3.49Å; H674-I717 HydrophobicContact CB-CB 4.34Å; H674-I717 PolarHBondContact CD2-O 3.03Å; H674-I717 PolarHBondContact N-O 2.95Å; H674-I717 PolarHBondContact O-N 2.91Å; H674-M785 HydrophobicContact CB-CE 4.44Å; H674-Y787 AromaticContact CE1-CE2 3.59Å; H674-Y787 AromaticContact CE1-CZ 3.61Å
675	I	90.7	Very high	87.5	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.7	179.6	-54.1	177.2	0	0	0	109	F645 L650 K660 A661 Y663 V673 A716	F645-I675 HydrophobicContact CE2-CD1 4.23Å; F645-I675 HydrophobicContact CE2-CG1 4.45Å; F645-I675 HydrophobicContact CZ-CD1 4.06Å; L650-I675 HydrophobicContact CD1-CD1 3.77Å; L650-I675 HydrophobicContact CD2-CD1 4.16Å; K660-I675 VanDerWaalsContact CA-O 3.31Å; K660-I675 WeakPolarHBondContact CA-O 3.49Å; K660-I675 WeakPolarHBondContact CG-O 3.43Å; A661-I675 PolarHBondContact N-O 3.14Å; A661-I675 PolarHBondContact O-N 2.85Å; Y663-I675 HydrophobicContact CD2-CD1 3.71Å; Y663-I675 HydrophobicContact CD2-CG1 4.38Å; Y663-I675 HydrophobicContact CE2-CD1 4Å; V673-I675 HydrophobicContact CG1-CD1 4.45Å; V673-I675 HydrophobicContact CG1-CG1 3.89Å; I675-A716 HydrophobicContact CG1-CB 4.3Å
676	F	87.8	Confident	86.8	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.4	176.9	-57.5	-95.1	0	0	0	108.8	K660 H674 L679 F687 F715 I717 M785 Y794	K660-F676 HydrophobicContact CB-CD1 4.37Å; K660-F676 HydrophobicContact CD-CD1 4.24Å; K660-F676 HydrophobicContact CD-CE1 3.78Å; K660-F676 HydrophobicContact CD-CZ 4.42Å; K660-F676 HydrophobicContact CG-CD1 4.17Å; K660-F676 HydrophobicContact CG-CE1 4.14Å; H674-F676 HydrophobicContact CB-CE2 4.01Å; H674-F676 HydrophobicContact CB-CZ 4.31Å; H674-F676 WeakPolarHBondContact O-CD2 3.35Å; H674-F676 VanDerWaalsContact O-CE2 3.3Å; H674-F676 WeakPolarHBondContact O-CE2 3.29Å; F676-L679 HydrophobicContact CB-CD1 3.87Å; F676-L679 HydrophobicContact CB-CD2 3.97Å; F676-L679 HydrophobicContact CB-CG 3.92Å; F676-L679 HydrophobicContact CG-CD1 4.48Å; F676-F687 AromaticContact CD2-CD2 3.94Å; F676-F687 HydrophobicContact CD2-CD2 3.94Å; F676-F687 AromaticContact CD2-CE2 3.66Å; F676-F687 HydrophobicContact CD2-CE2 3.66Å; F676-F687 HydrophobicContact CE2-CD2 4.12Å; F676-F687 AromaticContact CE2-CE2 3.89Å; F676-F687 HydrophobicContact CE2-CE2 3.89Å; F676-F687 HydrophobicContact CG-CD2 4.38Å; F676-F687 HydrophobicContact CG-CE2 4.46Å; F676-F715 HydrophobicContact CB-CB 4.46Å; F676-F715 PolarHBondContact N-O 3.05Å; F676-I717 HydrophobicContact CE2-CB 4.39Å; F676-I717 HydrophobicContact CE2-CD1 3.98Å; F676-I717 HydrophobicContact CE2-CG1 4.07Å; F676-I717 HydrophobicContact CZ-CD1 4.3Å; F676-M785 HydrophobicContact CE2-CE 4.42Å; F676-M785 HydrophobicContact CZ-CE 3.7Å; F676-Y794 HydrophobicContact CD1-CD2 4.45Å; F676-Y794 AromaticContact CD1-CE2 3.54Å; F676-Y794 HydrophobicContact CD1-CE2 3.54Å; F676-Y794 AromaticContact CE1-CE2 3.58Å; F676-Y794 HydrophobicContact CE1-CE2 3.58Å; F676-Y794 AromaticContact CE1-CZ 3.7Å; F676-Y794 WeakPolarHBondContact CE1-OH 3.26Å; F676-Y794 HydrophobicContact CG-CE2 4.39Å; F676-Y794 HydrophobicContact CZ-CE2 4.48Å; F676-Y794 WeakPolarHBondContact CZ-OH 3.23Å
677	E	82.9	Confident	86.3	Confident	58 Å²	58	47.3 Å²	47.3	27%	0.271	24%	0.238	S	C	.	.			trans	-100.7	135.4	-173.4	-68.7	163.6	-153.1	0	0	109	R659 L679	R659-E677 PolarHBondContact O-N 3.01Å; E677-L679 PolarHBondContact O-N 3.35Å
678	D	76.9	Confident	86	Confident	122 Å²	122	47 Å²	47	65%	0.652	24%	0.237	S	C	*	.	S	Bend	trans	51.5	53	174.6	-53.5	-32.7	0	0	0	115.9	R659 S680	R659-D678 PolarHBondContact NH2-O 3.16Å; D678-S680 PolarHBondContact O-N 3.1Å
679	L	79.7	Confident	85.6	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.037	21%	0.207	C	C	.	.			trans	-71.6	115.1	176.3	-64	-172	0	0	0	112.3	F676 E677 E683 R684 F687 F715 Y794	F676-L679 HydrophobicContact CB-CD1 3.87Å; F676-L679 HydrophobicContact CB-CD2 3.97Å; F676-L679 HydrophobicContact CB-CG 3.92Å; F676-L679 HydrophobicContact CG-CD1 4.48Å; E677-L679 PolarHBondContact O-N 3.35Å; L679-E683 HydrophobicContact CB-CB 4.47Å; L679-E683 HydrophobicContact CD2-CB 4.14Å; L679-R684 HydrophobicContact CB-CG 3.94Å; L679-R684 PolarHBondContact O-NE 3.49Å; L679-R684 PolarHBondContact O-NH2 3.49Å; L679-R684 VanDerWaalsContact O-NH2 3.15Å; L679-F687 HydrophobicContact CD1-CB 3.91Å; L679-F687 HydrophobicContact CD1-CD2 3.78Å; L679-F687 HydrophobicContact CD1-CE2 4.48Å; L679-F687 HydrophobicContact CD1-CG 3.93Å; L679-F715 HydrophobicContact CB-CD2 3.89Å; L679-F715 HydrophobicContact CB-CE2 4.14Å; L679-F715 HydrophobicContact CD1-CB 3.81Å; L679-F715 HydrophobicContact CD1-CD2 3.96Å; L679-F715 HydrophobicContact CD1-CG 3.91Å; L679-F715 HydrophobicContact CG-CB 4.5Å; L679-F715 HydrophobicContact CG-CD2 4.03Å; L679-F715 HydrophobicContact CG-CG 4.46Å; L679-Y794 HydrophobicContact CD2-CD2 3.79Å; L679-Y794 HydrophobicContact CD2-CE2 4.21Å
680	S	79.9	Confident	85.3	Confident	49 Å²	49	40 Å²	40	34%	0.343	20%	0.198	S	C	.	.			trans	-68.8	165.5	169.9	65	0	0	0	0	112.5	D678 T682 E683 R684	D678-S680 PolarHBondContact O-N 3.1Å; S680-T682 VanDerWaalsContact C-N 3.29Å; S680-T682 PolarHBondContact O-N 3.43Å; S680-T682 PolarHBondContact OG-OG1 3.15Å; S680-E683 WeakPolarHBondContact CB-OE2 3.45Å; S680-E683 PolarHBondContact N-OE2 3.38Å; S680-E683 PolarHBondContact O-N 3.19Å; S680-E683 VanDerWaalsContact OG-CD 3.24Å; S680-E683 VanDerWaalsContact OG-CG 3.23Å; S680-E683 WeakPolarHBondContact OG-CG 3.23Å; S680-E683 PolarHBondContact OG-OE2 2.79Å; S680-R684 WeakPolarHBondContact O-CG 3.38Å; S680-R684 PolarHBondContact O-N 2.82Å
681	L	77.7	Confident	85	Confident	128 Å²	128	35 Å²	35	67%	0.67	18%	0.175	S	C	*	.	H	α-helix	trans	-58	-36.8	-175.4	-63.8	176.7	0	0	0	113.7	K685	L681-K685 PolarHBondContact O-N 2.92Å
682	T	75.6	Confident	84.7	Confident	76 Å²	76	36 Å²	36	47%	0.466	18%	0.181	S	C	.	.	H	α-helix	trans	-70.6	-36.1	175.2	45.1	0	0	0	0	112.2	S680 K685	S680-T682 VanDerWaalsContact C-N 3.29Å; S680-T682 PolarHBondContact O-N 3.43Å; S680-T682 PolarHBondContact OG-OG1 3.15Å; T682-K685 WeakPolarHBondContact O-CB 3.18Å; T682-K685 PolarHBondContact O-N 3.29Å
683	E	81.5	Confident	84.4	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.028	19%	0.189	C	C	.	.	H	α-helix	trans	-73.6	-34.3	176.8	-63.5	173.2	125.4	0	0	111.7	R659 L679 S680 K685 R686 F687 Y794 Q795	R659-E683 IonicContact CZ-OE1 3.41Å; R659-E683 IonicContact CZ-OE2 3.73Å; R659-E683 IonicContact NH1-OE1 2.73Å; R659-E683 PolarHBondContact NH1-OE1 3.37Å; R659-E683 IonicContact NH1-OE2 3.73Å; R659-E683 VanDerWaalsContact NH2-CD 3.35Å; R659-E683 IonicContact NH2-OE1 3.21Å; R659-E683 PolarHBondContact NH2-OE1 3.03Å; R659-E683 IonicContact NH2-OE2 2.79Å; R659-E683 PolarHBondContact NH2-OE2 3.31Å; L679-E683 HydrophobicContact CB-CB 4.47Å; L679-E683 HydrophobicContact CD2-CB 4.14Å; S680-E683 WeakPolarHBondContact CB-OE2 3.45Å; S680-E683 PolarHBondContact N-OE2 3.38Å; S680-E683 PolarHBondContact O-N 3.19Å; S680-E683 VanDerWaalsContact OG-CD 3.24Å; S680-E683 VanDerWaalsContact OG-CG 3.23Å; S680-E683 WeakPolarHBondContact OG-CG 3.23Å; S680-E683 PolarHBondContact OG-OE2 2.79Å; E683-K685 VanDerWaalsContact C-N 3.32Å; E683-K685 PolarHBondContact O-N 2.86Å; E683-R686 WeakPolarHBondContact O-CA 3.4Å; E683-R686 WeakPolarHBondContact O-CB 3.34Å; E683-R686 PolarHBondContact O-N 3.42Å; E683-F687 PolarHBondContact O-N 3.48Å; E683-Y794 HydrophobicContact CB-CD2 4.48Å; E683-Q795 WeakPolarHBondContact OE1-CG 3.43Å; E683-Q795 PolarHBondContact OE1-N 3.43Å
684	R	82.9	Confident	84.2	Confident	90 Å²	90	38.7 Å²	38.7	34%	0.34	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-39.2	172.1	-70	175.6	-158.7	-172.6	3.8	111.9	L679 S680 R686 F687 W688 F715	L679-R684 HydrophobicContact CB-CG 3.94Å; L679-R684 PolarHBondContact O-NE 3.49Å; L679-R684 PolarHBondContact O-NH2 3.49Å; L679-R684 VanDerWaalsContact O-NH2 3.15Å; S680-R684 WeakPolarHBondContact O-CG 3.38Å; S680-R684 PolarHBondContact O-N 2.82Å; R684-R686 PolarHBondContact O-N 3.42Å; R684-F687 PolarHBondContact O-N 3.34Å; R684-W688 PolarHBondContact O-N 3.22Å; R684-F715 HydrophobicContact CG-CZ 4.26Å
685	K	80.8	Confident	84.1	Confident	67 Å²	67	39.6 Å²	39.6	29%	0.291	20%	0.196	S	C	.	.	H	α-helix	trans	-51.5	-44.9	171.1	-177.3	-165.5	-176.7	-172.6	0	110.8	Y517 L681 T682 E683 Q689 D798	Y517-K685 HydrophobicContact CE1-CD 4.49Å; Y517-K685 HydrophobicContact CE1-CG 4.13Å; Y517-K685 HydrophobicContact CE2-CB 4.44Å; Y517-K685 WeakPolarHBondContact OH-CB 3.38Å; Y517-K685 WeakPolarHBondContact OH-CD 3.35Å; Y517-K685 WeakPolarHBondContact OH-CG 3.48Å; L681-K685 PolarHBondContact O-N 2.92Å; T682-K685 WeakPolarHBondContact O-CB 3.18Å; T682-K685 PolarHBondContact O-N 3.29Å; E683-K685 VanDerWaalsContact C-N 3.32Å; E683-K685 PolarHBondContact O-N 2.86Å; K685-Q689 WeakPolarHBondContact O-CG 3.37Å; K685-Q689 PolarHBondContact O-N 3.16Å; K685-D798 IonicContact NZ-OD1 2.59Å; K685-D798 IonicContact NZ-OD2 2.78Å; K685-D798 PolarHBondContact NZ-OD2 2.88Å
686	R	79.8	Confident	83.8	Confident	12 Å²	12	41.4 Å²	41.4	5%	0.045	21%	0.205	C	C	.	.	H	α-helix	trans	-73.8	-42.6	-178.2	-180	51.1	-177.5	-139.1	-30.8	112.6	E683 R684 W688 Q689 D690 Y794 H799	E683-R686 WeakPolarHBondContact O-CA 3.4Å; E683-R686 WeakPolarHBondContact O-CB 3.34Å; E683-R686 PolarHBondContact O-N 3.42Å; R684-R686 PolarHBondContact O-N 3.42Å; R686-W688 VanDerWaalsContact C-N 3.26Å; R686-W688 PolarHBondContact O-N 3.24Å; R686-Q689 VanDerWaalsContact CD-OE1 3.25Å; R686-Q689 WeakPolarHBondContact O-CB 3.41Å; R686-Q689 PolarHBondContact O-N 2.98Å; R686-Q689 VanDerWaalsContact O-N 3.14Å; R686-D690 IonicContact CZ-OD1 2.83Å; R686-D690 IonicContact CZ-OD2 3.19Å; R686-D690 IonicContact NE-OD1 3.7Å; R686-D690 IonicContact NE-OD2 3.93Å; R686-D690 PolarHBondContact NE-OD2 2.77Å; R686-D690 PolarHBondContact O-N 3.45Å; R686-D690 VanDerWaalsContact O-N 3.12Å; R686-Y794 HydrophobicContact CB-CD1 4.05Å; R686-Y794 HydrophobicContact CB-CE1 4.48Å; R686-Y794 HydrophobicContact CB-CG 4.39Å; R686-Y794 HydrophobicContact CG-CD1 3.36Å; R686-Y794 HydrophobicContact CG-CE1 3.6Å; R686-Y794 HydrophobicContact CG-CG 4.17Å; R686-H799 PolarHBondContact NH2-O 3.48Å
687	F	86.4	Confident	83.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-50.9	-47.5	171	175.5	-92.5	0	0	0	111.1	F676 L679 E683 R684 Q689 D690 V691 V708 F715 I717	F676-F687 AromaticContact CD2-CD2 3.94Å; F676-F687 HydrophobicContact CD2-CD2 3.94Å; F676-F687 AromaticContact CD2-CE2 3.66Å; F676-F687 HydrophobicContact CD2-CE2 3.66Å; F676-F687 HydrophobicContact CE2-CD2 4.12Å; F676-F687 AromaticContact CE2-CE2 3.89Å; F676-F687 HydrophobicContact CE2-CE2 3.89Å; F676-F687 HydrophobicContact CG-CD2 4.38Å; F676-F687 HydrophobicContact CG-CE2 4.46Å; L679-F687 HydrophobicContact CD1-CB 3.91Å; L679-F687 HydrophobicContact CD1-CD2 3.78Å; L679-F687 HydrophobicContact CD1-CE2 4.48Å; L679-F687 HydrophobicContact CD1-CG 3.93Å; E683-F687 PolarHBondContact O-N 3.48Å; R684-F687 PolarHBondContact O-N 3.34Å; F687-Q689 PolarHBondContact O-N 3.26Å; F687-D690 PolarHBondContact O-N 2.94Å; F687-D690 VanDerWaalsContact O-N 3.16Å; F687-V691 HydrophobicContact CD1-CG2 4.02Å; F687-V691 HydrophobicContact CE1-CG2 3.77Å; F687-V691 HydrophobicContact CG-CG2 4.5Å; F687-V691 HydrophobicContact CZ-CG2 4.05Å; F687-V691 WeakPolarHBondContact O-CG2 3.47Å; F687-V691 PolarHBondContact O-N 3.45Å; F687-V708 HydrophobicContact CE1-CG2 3.69Å; F687-V708 HydrophobicContact CZ-CG2 3.55Å; F687-F715 HydrophobicContact CD2-CB 4.48Å; F687-F715 HydrophobicContact CE1-CB 4.5Å; F687-F715 HydrophobicContact CE1-CD1 4.23Å; F687-F715 HydrophobicContact CE2-CB 3.9Å; F687-F715 HydrophobicContact CZ-CB 3.91Å; F687-F715 HydrophobicContact CZ-CD1 4.41Å; F687-I717 HydrophobicContact CD2-CD1 4.23Å; F687-I717 HydrophobicContact CD2-CG1 4.47Å; F687-I717 HydrophobicContact CE2-CD1 3.96Å; F687-I717 HydrophobicContact CE2-CG1 3.71Å; F687-I717 HydrophobicContact CZ-CG1 4.02Å
688	W	86.8	Confident	84.4	Confident	54 Å²	54	47.3 Å²	47.3	21%	0.205	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-33.8	178.2	-76.6	116.3	0	0	0	114.9	M513 P636 R684 R686 D690 V691 T692 V708 V710	M513-W688 HydrophobicContact SD-CZ3 4.28Å; P636-W688 HydrophobicContact CB-CH2 4.39Å; P636-W688 HydrophobicContact CB-CZ2 3.94Å; R684-W688 PolarHBondContact O-N 3.22Å; R686-W688 VanDerWaalsContact C-N 3.26Å; R686-W688 PolarHBondContact O-N 3.24Å; W688-D690 VanDerWaalsContact C-N 3.33Å; W688-V691 HydrophobicContact CE3-CB 4.12Å; W688-V691 HydrophobicContact CE3-CG1 3.97Å; W688-V691 HydrophobicContact CZ3-CB 4.48Å; W688-V691 HydrophobicContact CZ3-CG1 3.89Å; W688-T692 VanDerWaalsContact O-CB 3.31Å; W688-T692 WeakPolarHBondContact O-CB 3.29Å; W688-T692 PolarHBondContact O-N 3.15Å; W688-T692 PolarHBondContact O-OG1 2.98Å; W688-V708 HydrophobicContact CH2-CG1 4.47Å; W688-V710 HydrophobicContact CH2-CG1 4.35Å; W688-V710 HydrophobicContact CH2-CG2 3.78Å; W688-V710 HydrophobicContact CZ2-CG1 3.73Å; W688-V710 HydrophobicContact CZ2-CG2 4Å
689	Q	83.5	Confident	85.3	Confident	40 Å²	40	43.9 Å²	43.9	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-43.5	170.9	-69.7	173.2	6.2	0	0	111.5	K685 R686 F687 T692 R693 D798	K685-Q689 WeakPolarHBondContact O-CG 3.37Å; K685-Q689 PolarHBondContact O-N 3.16Å; R686-Q689 VanDerWaalsContact CD-OE1 3.25Å; R686-Q689 WeakPolarHBondContact O-CB 3.41Å; R686-Q689 PolarHBondContact O-N 2.98Å; R686-Q689 VanDerWaalsContact O-N 3.14Å; F687-Q689 PolarHBondContact O-N 3.26Å; Q689-T692 PolarHBondContact O-N 2.86Å; Q689-R693 VanDerWaalsContact O-CG 3.32Å; Q689-R693 WeakPolarHBondContact O-CG 3.39Å; Q689-R693 PolarHBondContact O-N 3.38Å; Q689-D798 PolarHBondContact NE2-OD1 3.43Å
690	D	85.5	Confident	86	Confident	14 Å²	14	47.4 Å²	47.4	8%	0.075	22%	0.222	C	C	.	.	H	α-helix	trans	-76.5	-35.6	-177.3	-71.3	-29.5	0	0	0	111.7	R686 F687 W688 R693 L694 R767	R686-D690 IonicContact CZ-OD1 2.83Å; R686-D690 IonicContact CZ-OD2 3.19Å; R686-D690 IonicContact NE-OD1 3.7Å; R686-D690 IonicContact NE-OD2 3.93Å; R686-D690 PolarHBondContact NE-OD2 2.77Å; R686-D690 PolarHBondContact O-N 3.45Å; R686-D690 VanDerWaalsContact O-N 3.12Å; F687-D690 PolarHBondContact O-N 2.94Å; F687-D690 VanDerWaalsContact O-N 3.16Å; W688-D690 VanDerWaalsContact C-N 3.33Å; D690-R693 PolarHBondContact O-N 3Å; D690-R693 WeakPolarHBondContact OD1-CD 3.41Å; D690-R693 IonicContact OD1-CZ 3.92Å; D690-R693 IonicContact OD1-NE 2.67Å; D690-R693 IonicContact OD1-NH1 2.62Å; D690-R693 PolarHBondContact OD1-NH1 2.94Å; D690-L694 VanDerWaalsContact O-CG 3.3Å; D690-L694 WeakPolarHBondContact O-CG 3.37Å; D690-L694 PolarHBondContact O-N 2.96Å; D690-L694 VanDerWaalsContact O-N 3.08Å; D690-R767 IonicContact OD1-NH1 3.69Å
691	V	90	Very high	86.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-48.9	166	171	0	0	0	0	111	F687 W688 R693 L694 M695 F705 V708 I717	F687-V691 HydrophobicContact CD1-CG2 4.02Å; F687-V691 HydrophobicContact CE1-CG2 3.77Å; F687-V691 HydrophobicContact CG-CG2 4.5Å; F687-V691 HydrophobicContact CZ-CG2 4.05Å; F687-V691 WeakPolarHBondContact O-CG2 3.47Å; F687-V691 PolarHBondContact O-N 3.45Å; W688-V691 HydrophobicContact CE3-CB 4.12Å; W688-V691 HydrophobicContact CE3-CG1 3.97Å; W688-V691 HydrophobicContact CZ3-CB 4.48Å; W688-V691 HydrophobicContact CZ3-CG1 3.89Å; V691-R693 VanDerWaalsContact C-N 3.33Å; V691-R693 PolarHBondContact O-N 2.98Å; V691-L694 PolarHBondContact O-N 3.29Å; V691-L694 VanDerWaalsContact O-N 3.08Å; V691-M695 HydrophobicContact CG1-CG 4.11Å; V691-M695 HydrophobicContact CG1-SD 3.68Å; V691-M695 WeakPolarHBondContact O-CG 3.43Å; V691-M695 PolarHBondContact O-N 2.62Å; V691-F705 HydrophobicContact CG1-CE2 4.48Å; V691-F705 HydrophobicContact CG1-CZ 4.28Å; V691-V708 HydrophobicContact CG1-CB 4.43Å; V691-V708 HydrophobicContact CG1-CG2 4.45Å; V691-V708 HydrophobicContact CG2-CG2 3.9Å; V691-I717 HydrophobicContact CG2-CD1 3.76Å; V691-I717 HydrophobicContact CG2-CG1 3.87Å
692	T	88.5	Confident	87.5	Confident	23 Å²	23	39.4 Å²	39.4	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-38.2	179.6	-57.8	0	0	0	0	112	Y514 W688 Q689 L694 M696	Y514-T692 HydrophobicContact CE2-CG2 4.31Å; W688-T692 VanDerWaalsContact O-CB 3.31Å; W688-T692 WeakPolarHBondContact O-CB 3.29Å; W688-T692 PolarHBondContact O-N 3.15Å; W688-T692 PolarHBondContact O-OG1 2.98Å; Q689-T692 PolarHBondContact O-N 2.86Å; T692-L694 VanDerWaalsContact C-N 3.34Å; T692-L694 PolarHBondContact O-N 3.31Å; T692-M696 WeakPolarHBondContact O-CG 3.47Å
693	R	88.8	Confident	88.4	Confident	46 Å²	46	36.2 Å²	36.2	17%	0.174	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-41.7	172.8	-74.3	166.2	72.9	-141.2	-0.5	111.8	Q689 D690 V691 T697 I765 I766	Q689-R693 VanDerWaalsContact O-CG 3.32Å; Q689-R693 WeakPolarHBondContact O-CG 3.39Å; Q689-R693 PolarHBondContact O-N 3.38Å; D690-R693 PolarHBondContact O-N 3Å; D690-R693 WeakPolarHBondContact OD1-CD 3.41Å; D690-R693 IonicContact OD1-CZ 3.92Å; D690-R693 IonicContact OD1-NE 2.67Å; D690-R693 IonicContact OD1-NH1 2.62Å; D690-R693 PolarHBondContact OD1-NH1 2.94Å; V691-R693 VanDerWaalsContact C-N 3.33Å; V691-R693 PolarHBondContact O-N 2.98Å; R693-T697 WeakPolarHBondContact O-CG2 3.37Å; R693-I765 PolarHBondContact NH2-O 3.11Å; R693-I766 PolarHBondContact NH2-O 3.43Å; R693-I766 VanDerWaalsContact NH2-O 3.09Å
694	L	90.9	Very high	88.9	Confident	12 Å²	12	38.6 Å²	38.6	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-75.5	-47.2	-177.5	-68	172.1	0	0	0	113.3	D690 V691 T692 M696 T697 F705 I717 L784 M785	D690-L694 VanDerWaalsContact O-CG 3.3Å; D690-L694 WeakPolarHBondContact O-CG 3.37Å; D690-L694 PolarHBondContact O-N 2.96Å; D690-L694 VanDerWaalsContact O-N 3.08Å; V691-L694 PolarHBondContact O-N 3.29Å; V691-L694 VanDerWaalsContact O-N 3.08Å; T692-L694 VanDerWaalsContact C-N 3.34Å; T692-L694 PolarHBondContact O-N 3.31Å; L694-M696 PolarHBondContact O-N 3.23Å; L694-T697 PolarHBondContact O-N 3.01Å; L694-T697 PolarHBondContact O-OG1 3.06Å; L694-F705 HydrophobicContact CB-CB 4.14Å; L694-F705 HydrophobicContact CB-CD2 3.57Å; L694-F705 HydrophobicContact CB-CE2 4.27Å; L694-F705 HydrophobicContact CB-CG 4.05Å; L694-F705 HydrophobicContact CD1-CD2 4.12Å; L694-I717 HydrophobicContact CD1-CD1 4.29Å; L694-I717 HydrophobicContact CD1-CG2 3.52Å; L694-L784 HydrophobicContact CD2-CB 3.91Å; L694-L784 HydrophobicContact CD2-CD1 4.39Å; L694-M785 HydrophobicContact CD1-CG 3.91Å; L694-M785 HydrophobicContact CD1-SD 3.72Å; L694-M785 HydrophobicContact CD2-CG 4.35Å
695	M	89.8	Confident	89.5	Confident	19 Å²	19	35 Å²	35	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-49.3	-33.7	176.5	-77.1	173.5	64.6	0	0	112.3	M513 F641 V691 T697 F705	M513-M695 HydrophobicContact CE-CE 4.42Å; F641-M695 HydrophobicContact CD2-CE 3.71Å; F641-M695 HydrophobicContact CE2-CE 3.96Å; V691-M695 HydrophobicContact CG1-CG 4.11Å; V691-M695 HydrophobicContact CG1-SD 3.68Å; V691-M695 WeakPolarHBondContact O-CG 3.43Å; V691-M695 PolarHBondContact O-N 2.62Å; M695-T697 VanDerWaalsContact C-N 3.27Å; M695-T697 PolarHBondContact O-N 3.49Å; M695-F705 HydrophobicContact CB-CD1 4.45Å; M695-F705 HydrophobicContact CB-CE1 4.34Å; M695-F705 HydrophobicContact CG-CD1 3.94Å; M695-F705 HydrophobicContact CG-CE1 3.38Å; M695-F705 HydrophobicContact CG-CE2 4.38Å; M695-F705 HydrophobicContact CG-CZ 3.63Å
696	M	84.8	Confident	90.1	Very high	45 Å²	45	34.6 Å²	34.6	22%	0.222	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.8	-178.8	-75.5	-61.4	-118.9	0	0	114.7	F502 I510 T692 L694 R760 I764	F502-M696 HydrophobicContact CD1-SD 4.47Å; F502-M696 HydrophobicContact CD2-SD 4.05Å; F502-M696 HydrophobicContact CE1-SD 4.15Å; F502-M696 HydrophobicContact CE2-SD 3.71Å; F502-M696 HydrophobicContact CG-SD 4.43Å; F502-M696 HydrophobicContact CZ-SD 3.77Å; I510-M696 HydrophobicContact CD1-CE 4.25Å; I510-M696 HydrophobicContact CD1-SD 4.02Å; T692-M696 WeakPolarHBondContact O-CG 3.47Å; L694-M696 PolarHBondContact O-N 3.23Å; M696-R760 VanDerWaalsContact O-CZ 3.23Å; M696-R760 PolarHBondContact O-NH1 3.38Å; M696-R760 PolarHBondContact O-NH2 3.06Å; M696-I764 HydrophobicContact CB-CD1 3.98Å
697	T	90.5	Very high	90.8	Very high	6 Å²	6	34 Å²	34	4%	0.037	15%	0.154	C	C	.	.			trans	-108.9	134.7	-171.9	63.9	0	0	0	0	114.9	R693 L694 M695 L757 I764 L784	R693-T697 WeakPolarHBondContact O-CG2 3.37Å; L694-T697 PolarHBondContact O-N 3.01Å; L694-T697 PolarHBondContact O-OG1 3.06Å; M695-T697 VanDerWaalsContact C-N 3.27Å; M695-T697 PolarHBondContact O-N 3.49Å; T697-L757 HydrophobicContact CG2-CD2 3.68Å; T697-I764 HydrophobicContact CG2-CD1 3.68Å; T697-L784 HydrophobicContact CG2-CD1 3.98Å
698	R	93.1	Very high	91.2	Very high	177 Å²	177	34 Å²	34	67%	0.668	15%	0.154	S	C	*	.			trans	-156.3	102.5	172	-171.3	178.8	-176.4	105.2	-3.4	110	L704 Y756	R698-L704 HydrophobicContact CG-CD1 4.29Å; R698-Y756 PolarHBondContact N-OH 3.02Å; R698-Y756 PolarHBondContact O-OH 3.14Å
699	H	94.6	Very high	91.4	Very high	50 Å²	50	31.5 Å²	31.5	23%	0.231	15%	0.145	C	C	.	.			trans	-149.8	150.1	-178.1	179.3	-103	0	0	0	111	N701 I702 Y756	H699-N701 PolarHBondContact ND1-N 3.46Å; H699-N701 PolarHBondContact O-N 3.26Å; H699-N701 VanDerWaalsContact O-N 3.09Å; H699-I702 HydrophobicContact CB-CB 4.18Å; H699-I702 HydrophobicContact CB-CD1 3.82Å; H699-I702 HydrophobicContact CB-CG1 3.92Å; H699-I702 PolarHBondContact O-N 3.4Å; H699-I702 VanDerWaalsContact O-N 3.12Å; H699-Y756 HydrophobicContact CB-CD1 3.7Å; H699-Y756 HydrophobicContact CB-CD2 4.28Å; H699-Y756 HydrophobicContact CB-CE1 3.98Å; H699-Y756 HydrophobicContact CB-CG 3.87Å; H699-Y756 AromaticContact CD2-CG 3.94Å; H699-Y756 AromaticContact CG-CG 3.98Å
700	E	94	Very high	91.6	Very high	82 Å²	82	30.2 Å²	30.2	38%	0.383	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8.3	-171.9	69.2	132	-134.4	0	0	115.9	Q749 K779	E700-Q749 PolarHBondContact OE1-NE2 3.16Å; E700-K779 IonicContact OE2-NZ 3.55Å; E700-K779 PolarHBondContact OE2-NZ 3.47Å
701	N	95.3	Very high	91.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	21.8	175.2	-45	138.8	0	0	0	112.1	H699 Q749 A753 M780 L782	H699-N701 PolarHBondContact ND1-N 3.46Å; H699-N701 PolarHBondContact O-N 3.26Å; H699-N701 VanDerWaalsContact O-N 3.09Å; N701-Q749 PolarHBondContact ND2-NE2 2.69Å; N701-Q749 PolarHBondContact OD1-NE2 3.21Å; N701-Q749 PolarHBondContact OD1-O 3.02Å; N701-A753 HydrophobicContact CB-CB 4.23Å; N701-M780 WeakPolarHBondContact CA-O 3.4Å; N701-M780 HydrophobicContact CB-CE 4.34Å; N701-M780 WeakPolarHBondContact CB-O 3.47Å; N701-L782 WeakPolarHBondContact O-CB 3.48Å; N701-L782 PolarHBondContact O-N 2.93Å
702	I	94.8	Very high	90.1	Very high	9 Å²	9	37 Å²	37	5%	0.046	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-122.9	140.9	172.8	-57.9	179.6	0	0	0	107.8	H699 L704 A753 Y756 L757 L782 L784	H699-I702 HydrophobicContact CB-CB 4.18Å; H699-I702 HydrophobicContact CB-CD1 3.82Å; H699-I702 HydrophobicContact CB-CG1 3.92Å; H699-I702 PolarHBondContact O-N 3.4Å; H699-I702 VanDerWaalsContact O-N 3.12Å; I702-L704 PolarHBondContact O-N 3.37Å; I702-A753 HydrophobicContact CD1-CB 4.21Å; I702-A753 HydrophobicContact CG1-CB 3.82Å; I702-Y756 HydrophobicContact CD1-CD1 3.72Å; I702-Y756 HydrophobicContact CD1-CE1 4.2Å; I702-L757 HydrophobicContact CD1-CD1 3.84Å; I702-L757 HydrophobicContact CD1-CD2 3.81Å; I702-L757 HydrophobicContact CD1-CG 3.68Å; I702-L782 CarbonylContact C-O 3.43Å; I702-L782 WeakPolarHBondContact CA-O 3.37Å; I702-L784 HydrophobicContact CG2-CD1 4.22Å; I702-L784 HydrophobicContact CG2-CG 4.27Å
703	A	93.5	Very high	89.1	Confident	8 Å²	8	40 Å²	40	7%	0.066	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-55.9	129.2	172.7	0	0	0	0	0	110.8	F705 L782 Y783	A703-F705 PolarHBondContact O-N 3.42Å; A703-L782 PolarHBondContact N-O 2.79Å; A703-Y783 HydrophobicContact CB-CD1 3.34Å; A703-Y783 HydrophobicContact CB-CD2 4.1Å; A703-Y783 HydrophobicContact CB-CE1 3.27Å; A703-Y783 HydrophobicContact CB-CE2 4.03Å; A703-Y783 HydrophobicContact CB-CG 3.75Å
704	L	93.7	Very high	88.3	Confident	57 Å²	57	39.4 Å²	39.4	30%	0.298	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-77	123.5	-179.4	179.4	60.6	0	0	0	109.2	R698 I702 M706 T719 S720	R698-L704 HydrophobicContact CG-CD1 4.29Å; I702-L704 PolarHBondContact O-N 3.37Å; L704-M706 HydrophobicContact CB-CE 4.44Å; L704-M706 HydrophobicContact CD2-CE 4.01Å; L704-M706 HydrophobicContact CD2-SD 3.95Å; L704-M706 HydrophobicContact CG-CE 4.36Å; L704-M706 HydrophobicContact CG-SD 4.1Å; L704-M706 PolarHBondContact O-N 2.83Å; L704-T719 CarbonylContact O-C 3.53Å; L704-T719 VanDerWaalsContact O-CA 3.27Å; L704-T719 WeakPolarHBondContact O-CA 3.47Å; L704-S720 PolarHBondContact N-OG 3.08Å; L704-S720 PolarHBondContact O-N 3Å
705	F	94.7	Very high	88.2	Confident	14 Å²	14	39.1 Å²	39.1	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.3	164.6	177.2	-96.3	0	0	0	109.2	F641 V691 L694 M695 A703 G707 V708 I717	F641-F705 HydrophobicContact CB-CE1 3.87Å; F641-F705 HydrophobicContact CB-CZ 4.38Å; F641-F705 HydrophobicContact CD1-CD1 4.28Å; F641-F705 AromaticContact CD1-CE1 3.86Å; F641-F705 HydrophobicContact CD1-CE1 3.86Å; F641-F705 AromaticContact CG-CE1 3.93Å; F641-F705 HydrophobicContact CG-CE1 3.93Å; V691-F705 HydrophobicContact CG1-CE2 4.48Å; V691-F705 HydrophobicContact CG1-CZ 4.28Å; L694-F705 HydrophobicContact CB-CB 4.14Å; L694-F705 HydrophobicContact CB-CD2 3.57Å; L694-F705 HydrophobicContact CB-CE2 4.27Å; L694-F705 HydrophobicContact CB-CG 4.05Å; L694-F705 HydrophobicContact CD1-CD2 4.12Å; M695-F705 HydrophobicContact CB-CD1 4.45Å; M695-F705 HydrophobicContact CB-CE1 4.34Å; M695-F705 HydrophobicContact CG-CD1 3.94Å; M695-F705 HydrophobicContact CG-CE1 3.38Å; M695-F705 HydrophobicContact CG-CE2 4.38Å; M695-F705 HydrophobicContact CG-CZ 3.63Å; A703-F705 PolarHBondContact O-N 3.42Å; F705-G707 VanDerWaalsContact CE2-O 3.28Å; F705-G707 WeakPolarHBondContact CE2-O 3.37Å; F705-G707 VanDerWaalsContact CZ-C 3.41Å; F705-G707 WeakPolarHBondContact CZ-O 3.44Å; F705-V708 HydrophobicContact CZ-CB 4.31Å; F705-I717 HydrophobicContact CD2-CG2 4.39Å; F705-I717 HydrophobicContact CE2-CG2 4.27Å
706	M	94.3	Very high	88.3	Confident	59 Å²	59	38.2 Å²	38.2	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-42.6	-179.9	-63	-62.3	-168.1	0	0	111.2	W667 V671 L704 V718	W667-M706 HydrophobicContact CE3-CB 4.48Å; W667-M706 HydrophobicContact CZ3-CB 4.09Å; V671-M706 HydrophobicContact CG1-CG 4.32Å; L704-M706 HydrophobicContact CB-CE 4.44Å; L704-M706 HydrophobicContact CD2-CE 4.01Å; L704-M706 HydrophobicContact CD2-SD 3.95Å; L704-M706 HydrophobicContact CG-CE 4.36Å; L704-M706 HydrophobicContact CG-SD 4.1Å; L704-M706 PolarHBondContact O-N 2.83Å; M706-V718 HydrophobicContact CB-CB 4.24Å; M706-V718 HydrophobicContact CB-CG1 3.99Å; M706-V718 PolarHBondContact N-O 3.27Å
707	G	93.6	Very high	88.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-170.6	177.6	0	0	0	0	0	113.6	F641 F705 V718	F641-G707 CarbonylContact O-C 3.53Å; F641-G707 WeakPolarHBondContact O-CA 3.29Å; F705-G707 VanDerWaalsContact CE2-O 3.28Å; F705-G707 WeakPolarHBondContact CE2-O 3.37Å; F705-G707 VanDerWaalsContact CZ-C 3.41Å; F705-G707 WeakPolarHBondContact CZ-O 3.44Å; G707-V718 PolarHBondContact N-O 3.37Å; G707-V718 PolarHBondContact O-N 3Å
708	V	94.3	Very high	88.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.6	-178.4	63.1	0	0	0	0	108.6	F641 N642 I643 F687 W688 V691 F705 V710 A716	F641-V708 PolarHBondContact O-N 3.02Å; N642-V708 CarbonylContact C-O 3.44Å; N642-V708 VanDerWaalsContact CA-O 3.29Å; N642-V708 WeakPolarHBondContact CA-O 3.3Å; N642-V708 PolarHBondContact OD1-O 3.36Å; I643-V708 PolarHBondContact N-O 3.21Å; F687-V708 HydrophobicContact CE1-CG2 3.69Å; F687-V708 HydrophobicContact CZ-CG2 3.55Å; W688-V708 HydrophobicContact CH2-CG1 4.47Å; V691-V708 HydrophobicContact CG1-CB 4.43Å; V691-V708 HydrophobicContact CG1-CG2 4.45Å; V691-V708 HydrophobicContact CG2-CG2 3.9Å; F705-V708 HydrophobicContact CZ-CB 4.31Å; V708-V710 HydrophobicContact CG1-CG2 4.01Å; V708-V710 HydrophobicContact CG2-CG2 4.13Å; V708-A716 CarbonylContact C-O 3.59Å; V708-A716 VanDerWaalsContact CA-O 3.32Å; V708-A716 WeakPolarHBondContact CA-O 3.48Å; V708-A716 VanDerWaalsContact CG2-O 3.29Å; V708-A716 WeakPolarHBondContact CG2-O 3.36Å
709	C	92	Very high	89	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.7	165.8	-53.6	0	0	0	0	107.5	I643 F645 I648 F715 A716	I643-C709 PolarHBondContact O-SG 2.72Å; F645-C709 HydrophobicContact CB-CB 4.47Å; F645-C709 HydrophobicContact CD2-CB 4.04Å; I648-C709 WeakPolarHBondContact CD1-SG 3.31Å; C709-F715 WeakPolarHBondContact O-CA 3.48Å; C709-A716 HydrophobicContact CB-CB 3.87Å; C709-A716 PolarHBondContact N-O 2.96Å; C709-A716 PolarHBondContact O-N 2.94Å
710	V	86.1	Confident	89	Confident	14 Å²	14	26.1 Å²	26.1	9%	0.085	15%	0.151	C	C	.	.			trans	-116.2	1.3	-178.5	-156.8	0	0	0	0	112.1	P636 N642 W688 V708 P712 F715	P636-V710 HydrophobicContact CB-CB 4.48Å; P636-V710 HydrophobicContact CB-CG1 3.71Å; N642-V710 PolarHBondContact OD1-N 3.13Å; W688-V710 HydrophobicContact CH2-CG1 4.35Å; W688-V710 HydrophobicContact CH2-CG2 3.78Å; W688-V710 HydrophobicContact CZ2-CG1 3.73Å; W688-V710 HydrophobicContact CZ2-CG2 4Å; V708-V710 HydrophobicContact CG1-CG2 4.01Å; V708-V710 HydrophobicContact CG2-CG2 4.13Å; V710-P712 VanDerWaalsContact O-CD 3.29Å; V710-P712 WeakPolarHBondContact O-CD 3.47Å; V710-F715 HydrophobicContact CG1-CD1 4.2Å; V710-F715 HydrophobicContact CG1-CE1 3.86Å
711	D	76.6	Confident	88.9	Confident	53 Å²	53	22.6 Å²	22.6	28%	0.283	14%	0.136	S	C	.	.			trans	-69.5	117.3	-179.2	-50.7	-37.8	0	0	0	110.1	P644 F645 S714	P644-D711 WeakPolarHBondContact CA-OD2 3.45Å; F645-D711 PolarHBondContact N-OD2 3.34Å; D711-S714 PolarHBondContact O-N 2.95Å
712	P	68.4	Low	88.6	Confident	103 Å²	103	23.3 Å²	23.3	67%	0.669	14%	0.141	S	C	*	.	S	Bend	trans	-64.7	147.9	176.5	-20.9	34.4	0	0	0	111.5	V710	V710-P712 VanDerWaalsContact O-CD 3.29Å; V710-P712 WeakPolarHBondContact O-CD 3.47Å
713	P	67.1	Low	88.3	Confident	87 Å²	87	28 Å²	28	57%	0.565	16%	0.161	S	C	*	.	S	Bend	cis	-83.2	-14.5	2.5	33.2	-36	0	0	0	114.5	F715	P713-F715 PolarHBondContact O-N 3.19Å
714	S	72.6	Confident	88.1	Confident	32 Å²	32	30 Å²	30	22%	0.224	18%	0.181	C	C	.	.			trans	-96.7	79	-162.3	-64.1	0	0	0	0	113.7	D711 A716	D711-S714 PolarHBondContact O-N 2.95Å; S714-A716 PolarHBondContact O-N 3.19Å
715	F	88.1	Confident	87.9	Confident	6 Å²	6	29.5 Å²	29.5	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.6	169.5	-65.3	-84.1	0	0	0	110.5	F676 L679 R684 F687 C709 V710 P713	F676-F715 HydrophobicContact CB-CB 4.46Å; F676-F715 PolarHBondContact N-O 3.05Å; L679-F715 HydrophobicContact CB-CD2 3.89Å; L679-F715 HydrophobicContact CB-CE2 4.14Å; L679-F715 HydrophobicContact CD1-CB 3.81Å; L679-F715 HydrophobicContact CD1-CD2 3.96Å; L679-F715 HydrophobicContact CD1-CG 3.91Å; L679-F715 HydrophobicContact CG-CB 4.5Å; L679-F715 HydrophobicContact CG-CD2 4.03Å; L679-F715 HydrophobicContact CG-CG 4.46Å; R684-F715 HydrophobicContact CG-CZ 4.26Å; F687-F715 HydrophobicContact CD2-CB 4.48Å; F687-F715 HydrophobicContact CE1-CB 4.5Å; F687-F715 HydrophobicContact CE1-CD1 4.23Å; F687-F715 HydrophobicContact CE2-CB 3.9Å; F687-F715 HydrophobicContact CZ-CB 3.91Å; F687-F715 HydrophobicContact CZ-CD1 4.41Å; C709-F715 WeakPolarHBondContact O-CA 3.48Å; V710-F715 HydrophobicContact CG1-CD1 4.2Å; V710-F715 HydrophobicContact CG1-CE1 3.86Å; P713-F715 PolarHBondContact O-N 3.19Å
716	A	92.6	Very high	87.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.9	179.6	0	0	0	0	0	114.3	F645 V673 H674 I675 V708 C709 S714	F645-A716 HydrophobicContact CE2-CB 4.45Å; V673-A716 HydrophobicContact CG1-CB 4.05Å; H674-A716 CarbonylContact O-C 3.51Å; H674-A716 WeakPolarHBondContact O-CA 3.49Å; I675-A716 HydrophobicContact CG1-CB 4.3Å; V708-A716 CarbonylContact C-O 3.59Å; V708-A716 VanDerWaalsContact CA-O 3.32Å; V708-A716 WeakPolarHBondContact CA-O 3.48Å; V708-A716 VanDerWaalsContact CG2-O 3.29Å; V708-A716 WeakPolarHBondContact CG2-O 3.36Å; C709-A716 HydrophobicContact CB-CB 3.87Å; C709-A716 PolarHBondContact N-O 2.96Å; C709-A716 PolarHBondContact O-N 2.94Å; S714-A716 PolarHBondContact O-N 3.19Å
717	I	93.4	Very high	87.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.7	172	-66.7	175.3	0	0	0	108.3	H674 F676 F687 V691 L694 F705 T719 M785	H674-I717 HydrophobicContact CB-CB 4.34Å; H674-I717 PolarHBondContact CD2-O 3.03Å; H674-I717 PolarHBondContact N-O 2.95Å; H674-I717 PolarHBondContact O-N 2.91Å; F676-I717 HydrophobicContact CE2-CB 4.39Å; F676-I717 HydrophobicContact CE2-CD1 3.98Å; F676-I717 HydrophobicContact CE2-CG1 4.07Å; F676-I717 HydrophobicContact CZ-CD1 4.3Å; F687-I717 HydrophobicContact CD2-CD1 4.23Å; F687-I717 HydrophobicContact CD2-CG1 4.47Å; F687-I717 HydrophobicContact CE2-CD1 3.96Å; F687-I717 HydrophobicContact CE2-CG1 3.71Å; F687-I717 HydrophobicContact CZ-CG1 4.02Å; V691-I717 HydrophobicContact CG2-CD1 3.76Å; V691-I717 HydrophobicContact CG2-CG1 3.87Å; L694-I717 HydrophobicContact CD1-CD1 4.29Å; L694-I717 HydrophobicContact CD1-CG2 3.52Å; F705-I717 HydrophobicContact CD2-CG2 4.39Å; F705-I717 HydrophobicContact CE2-CG2 4.27Å; I717-T719 HydrophobicContact CG2-CG2 4.22Å; I717-M785 HydrophobicContact CD1-CE 3.87Å; I717-M785 HydrophobicContact CD1-SD 4.35Å
718	V	94.7	Very high	87.8	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.4	-175.2	-167.6	0	0	0	0	109.8	I643 I648 V671 M706 G707	I643-V718 HydrophobicContact CD1-CB 4.11Å; I643-V718 HydrophobicContact CD1-CG1 4.37Å; I643-V718 HydrophobicContact CD1-CG2 3.98Å; I648-V718 HydrophobicContact CD1-CG2 3.56Å; V671-V718 HydrophobicContact CB-CG1 3.75Å; V671-V718 HydrophobicContact CG1-CG1 3.89Å; V671-V718 HydrophobicContact CG2-CG1 3.93Å; M706-V718 HydrophobicContact CB-CB 4.24Å; M706-V718 HydrophobicContact CB-CG1 3.99Å; M706-V718 PolarHBondContact N-O 3.27Å; G707-V718 PolarHBondContact N-O 3.37Å; G707-V718 PolarHBondContact O-N 3Å
719	T	95	Very high	87.7	Confident	3 Å²	3	32 Å²	32	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	164.8	178.8	70.9	0	0	0	0	112.1	V671 D672 L704 I717 A721	V671-T719 WeakPolarHBondContact CA-O 3.37Å; V671-T719 WeakPolarHBondContact CB-O 3.33Å; D672-T719 PolarHBondContact N-O 3.44Å; D672-T719 PolarHBondContact O-N 2.99Å; L704-T719 CarbonylContact O-C 3.53Å; L704-T719 VanDerWaalsContact O-CA 3.27Å; L704-T719 WeakPolarHBondContact O-CA 3.47Å; I717-T719 HydrophobicContact CG2-CG2 4.22Å; T719-A721 PolarHBondContact O-N 3.24Å
720	S	93.8	Very high	87.8	Confident	21 Å²	21	33.3 Å²	33.3	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	132.2	170.7	58.4	0	0	0	0	111.1	L704 S722 Y783	L704-S720 PolarHBondContact N-OG 3.08Å; L704-S720 PolarHBondContact O-N 3Å; S720-S722 PolarHBondContact O-N 2.67Å; S720-Y783 WeakPolarHBondContact O-CE1 3.28Å; S720-Y783 PolarHBondContact O-OH 3.45Å
721	A	92.4	Very high	88.1	Confident	8 Å²	8	32.7 Å²	32.7	7%	0.066	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-54.7	132.3	-177.4	0	0	0	0	0	114	E670 D672 T719 K723 Y783	E670-A721 VanDerWaalsContact C-CB 3.49Å; E670-A721 HydrophobicContact CB-CB 3.61Å; E670-A721 WeakPolarHBondContact O-CB 3.34Å; E670-A721 PolarHBondContact O-N 2.67Å; D672-A721 VanDerWaalsContact OD1-CA 3.23Å; D672-A721 WeakPolarHBondContact OD1-CA 3.45Å; T719-A721 PolarHBondContact O-N 3.24Å; A721-K723 PolarHBondContact O-N 3.4Å; A721-Y783 PolarHBondContact O-OH 3.39Å
722	S	89.3	Confident	88.8	Confident	16 Å²	16	31.3 Å²	31.3	11%	0.112	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-60	121.1	169.7	52.7	0	0	0	0	111.3	K664 D672 S720 Y783	K664-S722 VanDerWaalsContact NZ-N 3.19Å; K664-S722 PolarHBondContact NZ-O 3.22Å; K664-S722 PolarHBondContact NZ-OG 2.99Å; D672-S722 PolarHBondContact OD1-N 3.27Å; D672-S722 PolarHBondContact OD1-OG 3.36Å; D672-S722 WeakPolarHBondContact OD2-CB 3.46Å; D672-S722 PolarHBondContact OD2-N 2.97Å; D672-S722 PolarHBondContact OD2-OG 3.19Å; S720-S722 PolarHBondContact O-N 2.67Å; S722-Y783 VanDerWaalsContact CA-OH 3.31Å; S722-Y783 WeakPolarHBondContact CA-OH 3.17Å; S722-Y783 PolarHBondContact N-OH 2.88Å
723	K	88.5	Confident	89.8	Confident	108 Å²	108	29.5 Å²	29.5	47%	0.47	17%	0.171	S	C	.	.			trans	-119	140.5	-178.6	-69.6	-175.9	-177.8	-161.9	0	111	E670 A721	E670-K723 WeakPolarHBondContact OE2-CE 3.15Å; E670-K723 IonicContact OE2-NZ 3.66Å; E670-K723 PolarHBondContact OE2-NZ 3.03Å; A721-K723 PolarHBondContact O-N 3.4Å
724	G	88.5	Confident	90.9	Very high	48 Å²	48	31.9 Å²	31.9	50%	0.495	17%	0.172	S	C	.	.	S	Bend	trans	81	-144.5	-172.5	0	0	0	0	0	113.2	L776	G724-L776 WeakPolarHBondContact CA-O 3.32Å
725	V	90.7	Very high	91.7	Very high	47 Å²	47	38.8 Å²	38.8	29%	0.285	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.1	177.6	-64.9	0	0	0	0	110.1	N729 K730 L776	V725-N729 HydrophobicContact CB-CB 4.39Å; V725-K730 HydrophobicContact CG2-CB 4.44Å; V725-L776 WeakPolarHBondContact O-CB 3.28Å; V725-L776 PolarHBondContact O-N 2.74Å
726	S	93	Very high	91.7	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	154.1	170.2	64	0	0	0	0	111.4	Y728 N729 K730 I774	S726-Y728 PolarHBondContact O-N 2.91Å; S726-N729 PolarHBondContact O-N 3.09Å; S726-N729 WeakPolarHBondContact OG-CB 3.48Å; S726-N729 PolarHBondContact OG-N 2.97Å; S726-N729 VanDerWaalsContact OG-N 3.12Å; S726-N729 PolarHBondContact OG-OD1 3.11Å; S726-N729 VanDerWaalsContact OG-OD1 3.05Å; S726-K730 PolarHBondContact O-N 3.48Å; S726-K730 VanDerWaalsContact O-N 3.08Å; S726-I774 CarbonylContact C-O 3.59Å; S726-I774 VanDerWaalsContact CA-O 3.23Å; S726-I774 WeakPolarHBondContact CA-O 3.36Å
727	L	94.7	Very high	91.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-37.7	172.6	178.5	66.1	0	0	0	110.3	N729 K730 L731 L738 L746 S771 I774 L776 I978 I982	L727-N729 PolarHBondContact O-N 3.23Å; L727-K730 WeakPolarHBondContact O-CA 3.33Å; L727-K730 WeakPolarHBondContact O-CB 3.36Å; L727-K730 PolarHBondContact O-N 3.46Å; L727-L731 HydrophobicContact CD1-CD1 3.75Å; L727-L731 HydrophobicContact CD1-CD2 4.25Å; L727-L731 HydrophobicContact CD1-CG 3.8Å; L727-L731 HydrophobicContact CD2-CD1 4.24Å; L727-L731 HydrophobicContact CG-CD1 3.68Å; L727-L731 HydrophobicContact CG-CG 4.1Å; L727-L731 WeakPolarHBondContact O-CG 3.18Å; L727-L731 PolarHBondContact O-N 3.36Å; L727-L738 HydrophobicContact CD1-CD1 4.22Å; L727-L746 HydrophobicContact CD1-CD1 4.12Å; L727-S771 WeakPolarHBondContact CB-O 3.41Å; L727-S771 PolarHBondContact N-O 3.19Å; L727-I774 HydrophobicContact CB-CB 3.98Å; L727-I774 HydrophobicContact CB-CG2 3.86Å; L727-I774 HydrophobicContact CD2-CB 4.4Å; L727-I774 HydrophobicContact CD2-CD1 4.14Å; L727-I774 HydrophobicContact CD2-CG2 4.11Å; L727-I774 PolarHBondContact N-O 2.58Å; L727-L776 HydrophobicContact CB-CD1 4.2Å; L727-L776 HydrophobicContact CD1-CD1 3.98Å; L727-I978 HydrophobicContact CD2-CG2 4.43Å; L727-I982 HydrophobicContact CD1-CG1 4.41Å; L727-I982 HydrophobicContact CD2-CD1 3.87Å; L727-I982 HydrophobicContact CD2-CG1 3.92Å
728	Y	92.6	Very high	91.4	Very high	54 Å²	54	51 Å²	51	21%	0.212	25%	0.248	C	C	.	.	H	α-helix	trans	-54.8	-51.8	171.9	178.5	-102.5	0	0	0	112.2	S726 K730 L731 H732 I733 S771 K772 Y987	S726-Y728 PolarHBondContact O-N 2.91Å; Y728-K730 PolarHBondContact O-N 2.82Å; Y728-L731 PolarHBondContact O-N 3.06Å; Y728-H732 HydrophobicContact CD2-CB 4.28Å; Y728-H732 AromaticContact CD2-CD2 3.29Å; Y728-H732 WeakPolarHBondContact CD2-CD2 3.3Å; Y728-H732 AromaticContact CD2-CG 3.98Å; Y728-H732 HydrophobicContact CE2-CB 3.88Å; Y728-H732 AromaticContact CE2-CD2 3.48Å; Y728-H732 VanDerWaalsContact CE2-CD2 3.48Å; Y728-H732 WeakPolarHBondContact CE2-CD2 3.24Å; Y728-H732 AromaticContact CE2-CG 3.73Å; Y728-H732 PolarHBondContact O-N 3.26Å; Y728-I733 HydrophobicContact CE1-CD1 4.17Å; Y728-I733 HydrophobicContact CE1-CG1 4.28Å; Y728-S771 WeakPolarHBondContact CB-OG 3.21Å; Y728-S771 PolarHBondContact N-O 2.71Å; Y728-K772 HydrophobicContact CD1-CG 4.15Å; Y728-K772 HydrophobicContact CD2-CG 4.22Å; Y728-K772 HydrophobicContact CG-CG 3.75Å; Y728-Y987 VanDerWaalsContact CE2-OH 3.3Å; Y728-Y987 WeakPolarHBondContact CE2-OH 3.43Å
729	N	91.9	Very high	91.3	Very high	61 Å²	61	54.6 Å²	54.6	33%	0.326	27%	0.273	S	S	.	.	I	π-helix	trans	-63.1	-27.7	178.1	-70.2	16.6	0	0	0	111.7	V725 S726 L727 I733 K734	V725-N729 HydrophobicContact CB-CB 4.39Å; S726-N729 PolarHBondContact O-N 3.09Å; S726-N729 WeakPolarHBondContact OG-CB 3.48Å; S726-N729 PolarHBondContact OG-N 2.97Å; S726-N729 VanDerWaalsContact OG-N 3.12Å; S726-N729 PolarHBondContact OG-OD1 3.11Å; S726-N729 VanDerWaalsContact OG-OD1 3.05Å; L727-N729 PolarHBondContact O-N 3.23Å; N729-I733 HydrophobicContact CB-CD1 4.26Å; N729-I733 WeakPolarHBondContact O-CB 3.49Å; N729-I733 WeakPolarHBondContact OD1-CD1 3.21Å; N729-K734 WeakPolarHBondContact O-CG 3.4Å; N729-K734 PolarHBondContact O-N 3.27Å
730	K	92.7	Very high	91.1	Very high	29 Å²	29	57.7 Å²	57.7	13%	0.126	29%	0.289	C	S	.	.	I	π-helix	trans	-77.5	-44.4	178.2	-163.5	169.8	-172	-166.9	0	113	V725 S726 L727 Y728 R735 E736 L738 L776	V725-K730 HydrophobicContact CG2-CB 4.44Å; S726-K730 PolarHBondContact O-N 3.48Å; S726-K730 VanDerWaalsContact O-N 3.08Å; L727-K730 WeakPolarHBondContact O-CA 3.33Å; L727-K730 WeakPolarHBondContact O-CB 3.36Å; L727-K730 PolarHBondContact O-N 3.46Å; Y728-K730 PolarHBondContact O-N 2.82Å; K730-R735 PolarHBondContact O-N 3.15Å; K730-E736 WeakPolarHBondContact CE-OE1 3.46Å; K730-E736 WeakPolarHBondContact CE-OE2 3.5Å; K730-E736 HydrophobicContact CG-CB 4.2Å; K730-E736 IonicContact NZ-OE1 3.42Å; K730-E736 PolarHBondContact NZ-OE1 3.26Å; K730-E736 IonicContact NZ-OE2 3.59Å; K730-E736 PolarHBondContact O-N 3.13Å; K730-E736 VanDerWaalsContact O-N 3.11Å; K730-L738 HydrophobicContact CD-CD2 3.92Å; K730-L776 HydrophobicContact CB-CD1 4.14Å; K730-L776 HydrophobicContact CD-CD1 3.55Å; K730-L776 HydrophobicContact CG-CD1 4.44Å
731	L	93.4	Very high	91	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.309	C	S	.	.	I	π-helix	trans	-81.4	-43.3	-176.2	-63	176.5	0	0	0	113.1	L727 Y728 R735 L738 E981 I982 R985	L727-L731 HydrophobicContact CD1-CD1 3.75Å; L727-L731 HydrophobicContact CD1-CD2 4.25Å; L727-L731 HydrophobicContact CD1-CG 3.8Å; L727-L731 HydrophobicContact CD2-CD1 4.24Å; L727-L731 HydrophobicContact CG-CD1 3.68Å; L727-L731 HydrophobicContact CG-CG 4.1Å; L727-L731 WeakPolarHBondContact O-CG 3.18Å; L727-L731 PolarHBondContact O-N 3.36Å; Y728-L731 PolarHBondContact O-N 3.06Å; L731-R735 VanDerWaalsContact O-CA 3.26Å; L731-R735 WeakPolarHBondContact O-CA 3.48Å; L731-L738 HydrophobicContact CD2-CD1 3.87Å; L731-L738 HydrophobicContact CD2-CG 4.19Å; L731-E981 HydrophobicContact CD1-CG 3.88Å; L731-I982 HydrophobicContact CD1-CG1 4.12Å; L731-R985 HydrophobicContact CD2-CG 4Å
732	H	90.4	Very high	91	Very high	24 Å²	24	63.5 Å²	63.5	11%	0.111	32%	0.32	C	S	.	.	I	π-helix	trans	-99.7	-43.5	-170.3	-64.4	-80.5	0	0	0	113.6	Y728 R735 E981 Y987	Y728-H732 HydrophobicContact CD2-CB 4.28Å; Y728-H732 AromaticContact CD2-CD2 3.29Å; Y728-H732 WeakPolarHBondContact CD2-CD2 3.3Å; Y728-H732 AromaticContact CD2-CG 3.98Å; Y728-H732 HydrophobicContact CE2-CB 3.88Å; Y728-H732 AromaticContact CE2-CD2 3.48Å; Y728-H732 VanDerWaalsContact CE2-CD2 3.48Å; Y728-H732 WeakPolarHBondContact CE2-CD2 3.24Å; Y728-H732 AromaticContact CE2-CG 3.73Å; Y728-H732 PolarHBondContact O-N 3.26Å; H732-R735 WeakPolarHBondContact O-CG 3.47Å; H732-R735 PolarHBondContact O-NE 2.92Å; H732-E981 IonicContact CD2-OE1 3.68Å; H732-E981 PolarHBondContact CD2-OE1 3.16Å; H732-E981 IonicContact CE1-OE1 3.93Å; H732-E981 IonicContact NE2-OE1 3.69Å; H732-E981 PolarHBondContact NE2-OE1 3.22Å; H732-Y987 AromaticContact CE1-CE2 3.84Å; H732-Y987 AromaticContact NE2-CZ 3.9Å
733	I	89.6	Confident	91.3	Very high	65 Å²	65	65 Å²	65	33%	0.333	32%	0.323	S	S	.	.	I	π-helix	trans	-80.3	-57.8	-178.3	-55.7	-177.3	0	0	0	110.2	Y728 N729 R735 Y909	Y728-I733 HydrophobicContact CE1-CD1 4.17Å; Y728-I733 HydrophobicContact CE1-CG1 4.28Å; N729-I733 HydrophobicContact CB-CD1 4.26Å; N729-I733 WeakPolarHBondContact O-CB 3.49Å; N729-I733 WeakPolarHBondContact OD1-CD1 3.21Å; I733-R735 VanDerWaalsContact C-N 3.34Å; I733-Y909 HydrophobicContact CG2-CD2 4.1Å; I733-Y909 HydrophobicContact CG2-CE2 3.31Å
734	K	90.3	Very high	91.5	Very high	137 Å²	137	59.9 Å²	59.9	60%	0.596	30%	0.301	S	S	*	.	S	Bend	trans	-78.5	-15.8	178.5	-65.6	-170.5	177.4	-165.7	0	114	N729 E736	N729-K734 WeakPolarHBondContact O-CG 3.4Å; N729-K734 PolarHBondContact O-N 3.27Å; K734-E736 PolarHBondContact O-N 2.92Å
735	R	89.4	Confident	91.7	Very high	176 Å²	176	60.9 Å²	60.9	66%	0.664	29%	0.29	S	S	*	.			trans	53.8	24.7	180	-61	-172.9	168.7	-160	-11.3	114.6	K730 L731 H732 I733 R985	K730-R735 PolarHBondContact O-N 3.15Å; L731-R735 VanDerWaalsContact O-CA 3.26Å; L731-R735 WeakPolarHBondContact O-CA 3.48Å; H732-R735 WeakPolarHBondContact O-CG 3.47Å; H732-R735 PolarHBondContact O-NE 2.92Å; I733-R735 VanDerWaalsContact C-N 3.34Å; R735-R985 PolarHBondContact O-NH1 2.74Å
736	E	88.9	Confident	91.9	Very high	89 Å²	89	58.9 Å²	58.9	42%	0.416	28%	0.278	S	S	.	.			trans	-67	131.9	-172.2	-164	-172.4	123.8	0	0	110.9	K730 K734 L738	K730-E736 WeakPolarHBondContact CE-OE1 3.46Å; K730-E736 WeakPolarHBondContact CE-OE2 3.5Å; K730-E736 HydrophobicContact CG-CB 4.2Å; K730-E736 IonicContact NZ-OE1 3.42Å; K730-E736 PolarHBondContact NZ-OE1 3.26Å; K730-E736 IonicContact NZ-OE2 3.59Å; K730-E736 PolarHBondContact O-N 3.13Å; K730-E736 VanDerWaalsContact O-N 3.11Å; K734-E736 PolarHBondContact O-N 2.92Å; E736-L738 PolarHBondContact O-N 3.18Å
737	K	88.1	Confident	92.1	Very high	168 Å²	168	58.5 Å²	58.5	73%	0.73	28%	0.275	S	S	*	.			trans	-79.2	109.5	175.3	-69.6	-173.7	178.5	-176.1	0	109.8
738	L	91.3	Very high	92.1	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	29%	0.289	C	S	.	.			trans	-71.3	131.6	171.5	-59.3	-176.9	0	0	0	110.8	L727 K730 L731 E736 M742 R743 L746 I982	L727-L738 HydrophobicContact CD1-CD1 4.22Å; K730-L738 HydrophobicContact CD-CD2 3.92Å; L731-L738 HydrophobicContact CD2-CD1 3.87Å; L731-L738 HydrophobicContact CD2-CG 4.19Å; E736-L738 PolarHBondContact O-N 3.18Å; L738-M742 HydrophobicContact CD2-CG 4.26Å; L738-R743 HydrophobicContact CB-CG 3.84Å; L738-R743 PolarHBondContact O-NE 2.93Å; L738-R743 PolarHBondContact O-NH2 2.75Å; L738-L746 HydrophobicContact CD1-CD1 4.06Å; L738-I982 HydrophobicContact CD1-CG2 4.42Å
739	S	92.7	Very high	92.2	Very high	74 Å²	74	60.2 Å²	60.2	52%	0.517	28%	0.281	S	S	.	.			trans	-64.7	152.3	169.2	63.6	0	0	0	0	110.8	T741 M742 R743	S739-T741 VanDerWaalsContact C-N 3.3Å; S739-T741 PolarHBondContact O-N 2.85Å; S739-M742 WeakPolarHBondContact O-CA 3.36Å; S739-M742 WeakPolarHBondContact O-CB 3.46Å; S739-M742 PolarHBondContact O-N 3.43Å; S739-M742 WeakPolarHBondContact OG-CB 3.45Å; S739-R743 WeakPolarHBondContact O-CG 3.47Å; S739-R743 PolarHBondContact O-N 3.47Å
740	L	91.5	Very high	92.5	Very high	69 Å²	69	57.4 Å²	57.4	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-55.7	-45	-175.9	-178.3	58.7	0	0	0	112.1	M742 R743 I744 P1015 M1018	L740-M742 VanDerWaalsContact C-N 3.28Å; L740-M742 PolarHBondContact O-N 3.19Å; L740-R743 WeakPolarHBondContact O-CB 3.32Å; L740-R743 PolarHBondContact O-N 3.44Å; L740-R743 VanDerWaalsContact O-N 3.07Å; L740-I744 HydrophobicContact CD1-CD1 4.26Å; L740-I744 HydrophobicContact CD1-CG1 4.29Å; L740-I744 HydrophobicContact CG-CD1 4Å; L740-I744 HydrophobicContact CG-CG1 4.5Å; L740-I744 WeakPolarHBondContact O-CG1 3.4Å; L740-I744 PolarHBondContact O-N 3.14Å; L740-P1015 HydrophobicContact CD1-CG 3.79Å; L740-M1018 HydrophobicContact CD1-CE 4.11Å
741	T	91.8	Very high	92.7	Very high	90 Å²	90	56 Å²	56	55%	0.552	26%	0.261	S	S	*	.	H	α-helix	trans	-54.8	-41.7	174.5	-38.8	0	0	0	0	112.3	S739 Y745	S739-T741 VanDerWaalsContact C-N 3.3Å; S739-T741 PolarHBondContact O-N 2.85Å; T741-Y745 VanDerWaalsContact O-CB 3.24Å; T741-Y745 WeakPolarHBondContact O-CB 3.43Å; T741-Y745 PolarHBondContact O-N 2.89Å
742	M	92	Very high	92.8	Very high	61 Å²	61	58.2 Å²	58.2	30%	0.3	27%	0.272	S	S	.	.	H	α-helix	trans	-70.8	-35.8	177.5	-168.9	63.2	179.6	0	0	112.1	L738 S739 L740 Y745 L746	L738-M742 HydrophobicContact CD2-CG 4.26Å; S739-M742 WeakPolarHBondContact O-CA 3.36Å; S739-M742 WeakPolarHBondContact O-CB 3.46Å; S739-M742 PolarHBondContact O-N 3.43Å; S739-M742 WeakPolarHBondContact OG-CB 3.45Å; L740-M742 VanDerWaalsContact C-N 3.28Å; L740-M742 PolarHBondContact O-N 3.19Å; M742-Y745 HydrophobicContact CE-CD1 4.43Å; M742-Y745 HydrophobicContact SD-CD1 4.01Å; M742-L746 HydrophobicContact CE-CD1 4.13Å; M742-L746 HydrophobicContact CE-CD2 3.93Å; M742-L746 HydrophobicContact CE-CG 4.05Å; M742-L746 HydrophobicContact CG-CD1 4.42Å; M742-L746 VanDerWaalsContact O-CG 3.31Å; M742-L746 WeakPolarHBondContact O-CG 3.34Å; M742-L746 PolarHBondContact O-N 2.84Å
743	R	94.4	Very high	93.1	Very high	46 Å²	46	57.1 Å²	57.1	17%	0.174	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-50.7	174.3	-59.1	-177.6	-156.6	-177.6	1.1	111	L738 S739 L740 Y745 L746 L747 I982 N983 M1018	L738-R743 HydrophobicContact CB-CG 3.84Å; L738-R743 PolarHBondContact O-NE 2.93Å; L738-R743 PolarHBondContact O-NH2 2.75Å; S739-R743 WeakPolarHBondContact O-CG 3.47Å; S739-R743 PolarHBondContact O-N 3.47Å; L740-R743 WeakPolarHBondContact O-CB 3.32Å; L740-R743 PolarHBondContact O-N 3.44Å; L740-R743 VanDerWaalsContact O-N 3.07Å; R743-Y745 PolarHBondContact O-N 3.02Å; R743-L746 PolarHBondContact O-N 3.27Å; R743-L747 WeakPolarHBondContact O-CB 3.28Å; R743-L747 WeakPolarHBondContact O-CG 3.27Å; R743-L747 PolarHBondContact O-N 3.37Å; R743-I982 HydrophobicContact CB-CG2 3.64Å; R743-I982 HydrophobicContact CG-CG2 3.55Å; R743-N983 VanDerWaalsContact CD-OD1 3.29Å; R743-N983 WeakPolarHBondContact CD-OD1 3.31Å; R743-N983 PolarHBondContact NH1-OD1 2.94Å; R743-M1018 HydrophobicContact CB-CE 4.16Å
744	I	93.2	Very high	93.5	Very high	2 Å²	2	54 Å²	54	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-42.3	179.9	-51.8	157.9	0	0	0	110.3	L740 L746 L747 R748 Y1017 M1018 H1047	L740-I744 HydrophobicContact CD1-CD1 4.26Å; L740-I744 HydrophobicContact CD1-CG1 4.29Å; L740-I744 HydrophobicContact CG-CD1 4Å; L740-I744 HydrophobicContact CG-CG1 4.5Å; L740-I744 WeakPolarHBondContact O-CG1 3.4Å; L740-I744 PolarHBondContact O-N 3.14Å; I744-L746 PolarHBondContact O-N 3.36Å; I744-L747 PolarHBondContact O-N 2.9Å; I744-R748 VanDerWaalsContact O-CB 3.29Å; I744-R748 WeakPolarHBondContact O-CB 3.27Å; I744-R748 PolarHBondContact O-N 2.98Å; I744-Y1017 VanDerWaalsContact CD1-OH 3.3Å; I744-Y1017 WeakPolarHBondContact CD1-OH 3.34Å; I744-Y1017 WeakPolarHBondContact CG1-OH 3.45Å; I744-M1018 HydrophobicContact CB-CE 4.44Å; I744-M1018 HydrophobicContact CG1-CE 3.54Å; I744-H1047 HydrophobicContact CG2-CB 4.43Å
745	Y	93.2	Very high	93.8	Very high	69 Å²	69	49 Å²	49	27%	0.271	23%	0.232	S	C	.	.	H	α-helix	trans	-55.6	-52.9	175.3	175	-106.3	0	0	0	111.6	T741 M742 R743 R748 Q749	T741-Y745 VanDerWaalsContact O-CB 3.24Å; T741-Y745 WeakPolarHBondContact O-CB 3.43Å; T741-Y745 PolarHBondContact O-N 2.89Å; M742-Y745 HydrophobicContact CE-CD1 4.43Å; M742-Y745 HydrophobicContact SD-CD1 4.01Å; R743-Y745 PolarHBondContact O-N 3.02Å; Y745-R748 PolarHBondContact O-N 3.36Å; Y745-Q749 HydrophobicContact CD2-CG 4.1Å; Y745-Q749 HydrophobicContact CE1-CG 4.2Å; Y745-Q749 HydrophobicContact CE2-CG 3.68Å; Y745-Q749 WeakPolarHBondContact O-CG 3.49Å; Y745-Q749 PolarHBondContact O-N 3.32Å
746	L	95.3	Very high	94.1	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-44.3	-179.7	-67.9	-178.3	0	0	0	112.8	L727 L738 M742 R743 I744 R748 Q749 L750 L776 M780	L727-L746 HydrophobicContact CD1-CD1 4.12Å; L738-L746 HydrophobicContact CD1-CD1 4.06Å; M742-L746 HydrophobicContact CE-CD1 4.13Å; M742-L746 HydrophobicContact CE-CD2 3.93Å; M742-L746 HydrophobicContact CE-CG 4.05Å; M742-L746 HydrophobicContact CG-CD1 4.42Å; M742-L746 VanDerWaalsContact O-CG 3.31Å; M742-L746 WeakPolarHBondContact O-CG 3.34Å; M742-L746 PolarHBondContact O-N 2.84Å; R743-L746 PolarHBondContact O-N 3.27Å; I744-L746 PolarHBondContact O-N 3.36Å; L746-R748 VanDerWaalsContact C-N 3.33Å; L746-R748 PolarHBondContact O-N 2.93Å; L746-Q749 PolarHBondContact O-N 3.09Å; L746-L750 WeakPolarHBondContact O-CB 3.39Å; L746-L750 PolarHBondContact O-N 3.18Å; L746-L776 HydrophobicContact CD1-CD1 4.41Å; L746-L776 HydrophobicContact CD1-CD2 3.9Å; L746-L776 HydrophobicContact CD2-CD2 3.5Å; L746-L776 HydrophobicContact CG-CD2 4.36Å; L746-M780 HydrophobicContact CD2-CB 3.85Å; L746-M780 HydrophobicContact CD2-CG 3.95Å
747	L	96.2	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-40.3	176.7	-74.2	170.2	0	0	0	111.9	R743 I744 L750 A751 F975 I978 I979 I982 M1018 L1043	R743-L747 WeakPolarHBondContact O-CB 3.28Å; R743-L747 WeakPolarHBondContact O-CG 3.27Å; R743-L747 PolarHBondContact O-N 3.37Å; I744-L747 PolarHBondContact O-N 2.9Å; L747-L750 PolarHBondContact O-N 2.93Å; L747-A751 WeakPolarHBondContact O-CB 3.34Å; L747-A751 PolarHBondContact O-N 3.32Å; L747-F975 HydrophobicContact CB-CZ 4.44Å; L747-F975 HydrophobicContact CD2-CE1 4.41Å; L747-F975 HydrophobicContact CD2-CE2 4.4Å; L747-F975 HydrophobicContact CD2-CZ 3.99Å; L747-I978 HydrophobicContact CD2-CG2 4.24Å; L747-I979 HydrophobicContact CD1-CG1 4.25Å; L747-I979 HydrophobicContact CD2-CG1 3.75Å; L747-I982 HydrophobicContact CD2-CD1 3.86Å; L747-I982 HydrophobicContact CG-CD1 4.04Å; L747-M1018 HydrophobicContact CD1-CE 3.84Å; L747-M1018 HydrophobicContact CD1-SD 4.26Å; L747-L1043 HydrophobicContact CB-CD1 3.98Å; L747-L1043 HydrophobicContact CB-CD2 4.2Å; L747-L1043 HydrophobicContact CD1-CD2 4.44Å
748	R	95.2	Very high	94.8	Very high	79 Å²	79	31.8 Å²	31.8	30%	0.298	16%	0.16	S	C	.	.	H	α-helix	trans	-71.1	-42.7	178.3	-167.3	-172.7	66.9	-173.6	0.7	112.5	I744 Y745 L746 L750 A751 N752 T1044	I744-R748 VanDerWaalsContact O-CB 3.29Å; I744-R748 WeakPolarHBondContact O-CB 3.27Å; I744-R748 PolarHBondContact O-N 2.98Å; Y745-R748 PolarHBondContact O-N 3.36Å; L746-R748 VanDerWaalsContact C-N 3.33Å; L746-R748 PolarHBondContact O-N 2.93Å; R748-L750 PolarHBondContact O-N 3.12Å; R748-A751 PolarHBondContact O-N 3.4Å; R748-N752 WeakPolarHBondContact O-CB 3.48Å; R748-N752 PolarHBondContact O-N 2.84Å; R748-N752 PolarHBondContact O-OD1 3.35Å; R748-T1044 WeakPolarHBondContact CD-OG1 3.41Å
749	Q	95.1	Very high	95	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-32.4	174.4	-61.3	-50.4	125.1	0	0	111.6	E700 N701 Y745 L746 A753 M780	E700-Q749 PolarHBondContact OE1-NE2 3.16Å; N701-Q749 PolarHBondContact ND2-NE2 2.69Å; N701-Q749 PolarHBondContact OD1-NE2 3.21Å; N701-Q749 PolarHBondContact OD1-O 3.02Å; Y745-Q749 HydrophobicContact CD2-CG 4.1Å; Y745-Q749 HydrophobicContact CE1-CG 4.2Å; Y745-Q749 HydrophobicContact CE2-CG 3.68Å; Y745-Q749 WeakPolarHBondContact O-CG 3.49Å; Y745-Q749 PolarHBondContact O-N 3.32Å; L746-Q749 PolarHBondContact O-N 3.09Å; Q749-A753 PolarHBondContact O-N 3.29Å; Q749-A753 VanDerWaalsContact O-N 3.15Å; Q749-M780 VanDerWaalsContact C-CE 3.49Å; Q749-M780 HydrophobicContact CB-CB 4.35Å; Q749-M780 HydrophobicContact CB-CE 3.89Å
750	L	97.4	Very high	94.7	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-70.4	-44.9	173.5	-175.3	63.7	0	0	0	111.8	L746 L747 R748 N752 A753 M754 L769 I774 M780 L782 F975 I978	L746-L750 WeakPolarHBondContact O-CB 3.39Å; L746-L750 PolarHBondContact O-N 3.18Å; L747-L750 PolarHBondContact O-N 2.93Å; R748-L750 PolarHBondContact O-N 3.12Å; L750-N752 VanDerWaalsContact C-N 3.31Å; L750-N752 PolarHBondContact O-N 3.16Å; L750-A753 WeakPolarHBondContact O-CB 3.37Å; L750-A753 PolarHBondContact O-N 3.35Å; L750-A753 VanDerWaalsContact O-N 3.16Å; L750-M754 HydrophobicContact CD1-CG 4.49Å; L750-M754 HydrophobicContact CD1-SD 4.4Å; L750-M754 HydrophobicContact CG-SD 4.11Å; L750-M754 WeakPolarHBondContact O-CG 3.38Å; L750-M754 PolarHBondContact O-N 2.82Å; L750-L769 HydrophobicContact CD1-CD1 4.24Å; L750-I774 HydrophobicContact CD1-CD1 3.97Å; L750-I774 HydrophobicContact CD1-CG1 4.27Å; L750-I774 HydrophobicContact CD2-CD1 3.68Å; L750-I774 HydrophobicContact CG-CD1 4.44Å; L750-M780 VanDerWaalsContact CA-CE 3.46Å; L750-M780 HydrophobicContact CB-CE 3.76Å; L750-M780 HydrophobicContact CD1-CE 4.14Å; L750-M780 VanDerWaalsContact N-CE 3.3Å; L750-L782 HydrophobicContact CD1-CD1 4.18Å; L750-L782 HydrophobicContact CD1-CD2 4.21Å; L750-F975 HydrophobicContact CB-CE2 4Å; L750-F975 HydrophobicContact CD2-CD2 3.6Å; L750-F975 HydrophobicContact CD2-CE2 3.65Å; L750-F975 HydrophobicContact CG-CD2 3.92Å; L750-F975 HydrophobicContact CG-CE2 3.76Å; L750-I978 HydrophobicContact CD2-CD1 4.01Å; L750-I978 HydrophobicContact CD2-CG2 4.08Å
751	A	97.3	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-37.3	176.3	0	0	0	0	0	112	L747 R748 M754 T755 F975 M1036 I1039 T1040 L1043	L747-A751 WeakPolarHBondContact O-CB 3.34Å; L747-A751 PolarHBondContact O-N 3.32Å; R748-A751 PolarHBondContact O-N 3.4Å; A751-M754 PolarHBondContact O-N 3.26Å; A751-T755 WeakPolarHBondContact O-CB 2.85Å; A751-T755 PolarHBondContact O-N 3.22Å; A751-T755 PolarHBondContact O-OG1 2.95Å; A751-F975 HydrophobicContact CB-CE2 4.17Å; A751-F975 HydrophobicContact CB-CZ 4.03Å; A751-M1036 HydrophobicContact CB-SD 3.95Å; A751-M1036 VanDerWaalsContact O-CG 3.31Å; A751-M1036 WeakPolarHBondContact O-CG 3.43Å; A751-I1039 HydrophobicContact CB-CG2 4.17Å; A751-T1040 VanDerWaalsContact CB-OG1 3.3Å; A751-T1040 WeakPolarHBondContact CB-OG1 3.22Å; A751-T1040 PolarHBondContact O-OG1 3.3Å; A751-L1043 HydrophobicContact CB-CD1 4.07Å
752	N	96	Very high	94.2	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-59.8	-48.6	170.6	-70.3	-5.3	0	0	0	111.9	R748 L750 M754 T755 Y756 T1040	R748-N752 WeakPolarHBondContact O-CB 3.48Å; R748-N752 PolarHBondContact O-N 2.84Å; R748-N752 PolarHBondContact O-OD1 3.35Å; L750-N752 VanDerWaalsContact C-N 3.31Å; L750-N752 PolarHBondContact O-N 3.16Å; N752-M754 PolarHBondContact O-N 3.43Å; N752-T755 WeakPolarHBondContact O-CB 2.79Å; N752-T755 PolarHBondContact O-N 3.15Å; N752-Y756 PolarHBondContact O-N 3.17Å; N752-T1040 VanDerWaalsContact OD1-CG2 3.26Å; N752-T1040 WeakPolarHBondContact OD1-CG2 3.42Å
753	A	96.6	Very high	94.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-45.8	178.3	0	0	0	0	0	112.3	N701 I702 Q749 L750 Y756 L757 L782	N701-A753 HydrophobicContact CB-CB 4.23Å; I702-A753 HydrophobicContact CD1-CB 4.21Å; I702-A753 HydrophobicContact CG1-CB 3.82Å; Q749-A753 PolarHBondContact O-N 3.29Å; Q749-A753 VanDerWaalsContact O-N 3.15Å; L750-A753 WeakPolarHBondContact O-CB 3.37Å; L750-A753 PolarHBondContact O-N 3.35Å; L750-A753 VanDerWaalsContact O-N 3.16Å; A753-Y756 PolarHBondContact O-N 3.26Å; A753-L757 WeakPolarHBondContact O-CG 3.36Å; A753-L757 PolarHBondContact O-N 3.33Å; A753-L782 HydrophobicContact CB-CD2 4.19Å
754	M	97.1	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-36.1	177.9	-67.6	179.4	77.3	0	0	112	L750 A751 N752 Y756 L757 H758 I766 L769 D971 F975 M1036	L750-M754 HydrophobicContact CD1-CG 4.49Å; L750-M754 HydrophobicContact CD1-SD 4.4Å; L750-M754 HydrophobicContact CG-SD 4.11Å; L750-M754 WeakPolarHBondContact O-CG 3.38Å; L750-M754 PolarHBondContact O-N 2.82Å; A751-M754 PolarHBondContact O-N 3.26Å; N752-M754 PolarHBondContact O-N 3.43Å; M754-Y756 PolarHBondContact O-N 3.24Å; M754-L757 PolarHBondContact O-N 3.36Å; M754-L757 VanDerWaalsContact O-N 3.15Å; M754-H758 WeakPolarHBondContact O-CB 3.39Å; M754-H758 PolarHBondContact O-N 2.7Å; M754-I766 HydrophobicContact CE-CD1 4.14Å; M754-I766 HydrophobicContact CG-CD1 3.83Å; M754-I766 HydrophobicContact SD-CD1 4.42Å; M754-L769 HydrophobicContact CE-CD2 3.48Å; M754-L769 VanDerWaalsContact CE-CD2 3.48Å; M754-L769 HydrophobicContact SD-CD2 3.57Å; M754-L769 VanDerWaalsContact SD-CD2 3.57Å; M754-D971 HydrophobicContact CE-CB 3.74Å; M754-D971 WeakPolarHBondContact CE-O 3.21Å; M754-F975 HydrophobicContact CE-CB 4.26Å; M754-F975 HydrophobicContact SD-CB 4.23Å; M754-F975 HydrophobicContact SD-CD2 3.55Å; M754-F975 VanDerWaalsContact SD-CD2 3.55Å; M754-F975 HydrophobicContact SD-CE2 4.33Å; M754-F975 HydrophobicContact SD-CG 4.27Å; M754-M1036 HydrophobicContact CB-CE 3.89Å; M754-M1036 HydrophobicContact CB-CG 3.56Å; M754-M1036 HydrophobicContact CB-SD 3.82Å; M754-M1036 HydrophobicContact CE-CE 3.48Å; M754-M1036 VanDerWaalsContact CE-CE 3.48Å; M754-M1036 HydrophobicContact CG-CE 4.47Å; M754-M1036 HydrophobicContact SD-CE 3.76Å; M754-M1036 HydrophobicContact SD-SD 4.22Å
755	T	97.1	Very high	94.1	Very high	31 Å²	31	39.7 Å²	39.7	19%	0.19	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-47.1	172.6	-68.8	0	0	0	0	111	A751 N752 L757 H758 S759 M1036 N1037 T1040	A751-T755 WeakPolarHBondContact O-CB 2.85Å; A751-T755 PolarHBondContact O-N 3.22Å; A751-T755 PolarHBondContact O-OG1 2.95Å; N752-T755 WeakPolarHBondContact O-CB 2.79Å; N752-T755 PolarHBondContact O-N 3.15Å; T755-L757 VanDerWaalsContact C-N 3.3Å; T755-L757 PolarHBondContact O-N 3.41Å; T755-H758 PolarHBondContact O-N 2.83Å; T755-S759 WeakPolarHBondContact O-CB 3.32Å; T755-S759 PolarHBondContact O-N 3.03Å; T755-S759 PolarHBondContact O-OG 3.11Å; T755-M1036 WeakPolarHBondContact OG1-CG 3.3Å; T755-M1036 PolarHBondContact OG1-O 3.38Å; T755-N1037 WeakPolarHBondContact CG2-OD1 3.44Å; T755-T1040 PolarHBondContact OG1-OG1 2.89Å; T755-T1040 VanDerWaalsContact OG1-OG1 3.07Å
756	Y	96.4	Very high	94.1	Very high	49 Å²	49	36.7 Å²	36.7	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-36.3	175.5	166.6	-91	0	0	0	113.1	R698 H699 I702 N752 A753 M754 R760	R698-Y756 PolarHBondContact N-OH 3.02Å; R698-Y756 PolarHBondContact O-OH 3.14Å; H699-Y756 HydrophobicContact CB-CD1 3.7Å; H699-Y756 HydrophobicContact CB-CD2 4.28Å; H699-Y756 HydrophobicContact CB-CE1 3.98Å; H699-Y756 HydrophobicContact CB-CG 3.87Å; H699-Y756 AromaticContact CD2-CG 3.94Å; H699-Y756 AromaticContact CG-CG 3.98Å; I702-Y756 HydrophobicContact CD1-CD1 3.72Å; I702-Y756 HydrophobicContact CD1-CE1 4.2Å; N752-Y756 PolarHBondContact O-N 3.17Å; A753-Y756 PolarHBondContact O-N 3.26Å; M754-Y756 PolarHBondContact O-N 3.24Å; Y756-R760 WeakPolarHBondContact O-CG 3.24Å; Y756-R760 PolarHBondContact OH-NH1 3.2Å; Y756-R760 VanDerWaalsContact OH-NH1 3.14Å
757	L	95.7	Very high	93.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-75.7	-41.2	179.6	-68	169.6	0	0	0	112.6	T697 I702 A753 M754 T755 I764 I766 L782 L784	T697-L757 HydrophobicContact CG2-CD2 3.68Å; I702-L757 HydrophobicContact CD1-CD1 3.84Å; I702-L757 HydrophobicContact CD1-CD2 3.81Å; I702-L757 HydrophobicContact CD1-CG 3.68Å; A753-L757 WeakPolarHBondContact O-CG 3.36Å; A753-L757 PolarHBondContact O-N 3.33Å; M754-L757 PolarHBondContact O-N 3.36Å; M754-L757 VanDerWaalsContact O-N 3.15Å; T755-L757 VanDerWaalsContact C-N 3.3Å; T755-L757 PolarHBondContact O-N 3.41Å; L757-I764 HydrophobicContact CB-CB 4.33Å; L757-I764 WeakPolarHBondContact CB-O 3.44Å; L757-I764 HydrophobicContact CD2-CB 3.87Å; L757-I764 HydrophobicContact CD2-CD1 4.3Å; L757-I764 HydrophobicContact CD2-CG2 3.88Å; L757-I764 PolarHBondContact O-N 3.05Å; L757-I766 HydrophobicContact CD1-CD1 4.01Å; L757-I766 HydrophobicContact CD1-CG1 3.9Å; L757-L782 HydrophobicContact CD1-CD2 4.3Å; L757-L784 HydrophobicContact CD1-CD1 4.46Å; L757-L784 HydrophobicContact CD1-CD2 3.92Å; L757-L784 HydrophobicContact CD2-CD1 4.14Å
758	H	96.2	Very high	93.5	Very high	24 Å²	24	41 Å²	41	11%	0.111	21%	0.207	C	C	.	.	H	α-helix	trans	-82.2	-25.1	-175.3	-70	-173.8	0	0	0	113.9	M754 T755 R760 T968 D971	M754-H758 WeakPolarHBondContact O-CB 3.39Å; M754-H758 PolarHBondContact O-N 2.7Å; T755-H758 PolarHBondContact O-N 2.83Å; H758-R760 PolarHBondContact O-N 3.49Å; H758-T968 HydrophobicContact CB-CG2 4.2Å; H758-T968 PolarHBondContact CE1-O 2.84Å; H758-D971 IonicContact CD2-OD2 2.72Å; H758-D971 IonicContact CE1-OD2 2.72Å; H758-D971 IonicContact NE2-OD2 3.49Å; H758-D971 PolarHBondContact NE2-OD2 2.95Å
759	S	93.9	Very high	93.4	Very high	78 Å²	78	37.4 Å²	37.4	55%	0.545	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5.4	-176.1	55	0	0	0	0	115.7	T755	T755-S759 WeakPolarHBondContact O-CB 3.32Å; T755-S759 PolarHBondContact O-N 3.03Å; T755-S759 PolarHBondContact O-OG 3.11Å
760	R	87.5	Confident	93.3	Very high	53 Å²	53	37.7 Å²	37.7	20%	0.2	20%	0.197	C	C	.	.	S	Bend	trans	-86.3	152.4	-175.1	-55.8	173.7	72	113.1	-3.5	111.4	M696 Y756 H758 N762 P763	M696-R760 VanDerWaalsContact O-CZ 3.23Å; M696-R760 PolarHBondContact O-NH1 3.38Å; M696-R760 PolarHBondContact O-NH2 3.06Å; Y756-R760 WeakPolarHBondContact O-CG 3.24Å; Y756-R760 PolarHBondContact OH-NH1 3.2Å; Y756-R760 VanDerWaalsContact OH-NH1 3.14Å; H758-R760 PolarHBondContact O-N 3.49Å; R760-N762 WeakPolarHBondContact CB-O 3.33Å; R760-N762 CarbonylContact O-C 3.52Å; R760-N762 PolarHBondContact O-N 2.98Å; R760-P763 WeakPolarHBondContact O-CD 3.22Å
761	N	84.9	Confident	93.1	Very high	153 Å²	153	37.5 Å²	37.5	82%	0.818	20%	0.196	S	C	*	.	S	Bend	trans	-52.5	-31.2	173.9	-68.3	3.6	0	0	0	113.5
762	N	87.6	Confident	92.8	Very high	132 Å²	132	39.5 Å²	39.5	71%	0.706	21%	0.205	S	C	*	.	S	Bend	trans	-121.7	103.5	163	-173	6.5	0	0	0	107.8	R760 I764	R760-N762 WeakPolarHBondContact CB-O 3.33Å; R760-N762 CarbonylContact O-C 3.52Å; R760-N762 PolarHBondContact O-N 2.98Å; N762-I764 PolarHBondContact O-N 2.89Å
763	P	91.9	Very high	92.6	Very high	49 Å²	49	37.4 Å²	37.4	32%	0.318	19%	0.193	S	C	.	.			trans	-60.1	131	-176.7	-28.1	37.1	0	0	0	113.2	R760 I765 T968	R760-P763 WeakPolarHBondContact O-CD 3.22Å; P763-I765 PolarHBondContact O-N 3.25Å; P763-T968 HydrophobicContact CB-CG2 3.8Å; P763-T968 HydrophobicContact CG-CG2 4.44Å
764	I	92.5	Very high	92.5	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.077	19%	0.194	C	C	.	.			trans	-85.7	98.8	174.3	-61.6	172.4	0	0	0	108.3	M696 T697 L757 N762	M696-I764 HydrophobicContact CB-CD1 3.98Å; T697-I764 HydrophobicContact CG2-CD1 3.68Å; L757-I764 HydrophobicContact CB-CB 4.33Å; L757-I764 WeakPolarHBondContact CB-O 3.44Å; L757-I764 HydrophobicContact CD2-CB 3.87Å; L757-I764 HydrophobicContact CD2-CD1 4.3Å; L757-I764 HydrophobicContact CD2-CG2 3.88Å; L757-I764 PolarHBondContact O-N 3.05Å; N762-I764 PolarHBondContact O-N 2.89Å
765	I	93.5	Very high	92.4	Very high	35 Å²	35	38.7 Å²	38.7	18%	0.179	20%	0.199	C	C	.	.			trans	-77.3	134.6	178.1	-53.1	172.3	0	0	0	108.7	R693 P763 R767 F966 T968 D971	R693-I765 PolarHBondContact NH2-O 3.11Å; P763-I765 PolarHBondContact O-N 3.25Å; I765-R767 HydrophobicContact CB-CG 4.42Å; I765-R767 HydrophobicContact CG2-CG 4.03Å; I765-F966 WeakPolarHBondContact CD1-O 3.34Å; I765-F966 HydrophobicContact CG2-CB 4.03Å; I765-T968 HydrophobicContact CG1-CG2 4.31Å; I765-D971 WeakPolarHBondContact CA-OD2 3.47Å; I765-D971 WeakPolarHBondContact CG2-OD2 3.15Å
766	I	92.9	Very high	92.2	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.194	C	C	.	.			trans	-75.9	-40.9	-176.4	-57.2	174.1	0	0	0	110.3	R693 M754 L757 R768 L769 L782 L784 D971	R693-I766 PolarHBondContact NH2-O 3.43Å; R693-I766 VanDerWaalsContact NH2-O 3.09Å; M754-I766 HydrophobicContact CE-CD1 4.14Å; M754-I766 HydrophobicContact CG-CD1 3.83Å; M754-I766 HydrophobicContact SD-CD1 4.42Å; L757-I766 HydrophobicContact CD1-CD1 4.01Å; L757-I766 HydrophobicContact CD1-CG1 3.9Å; I766-R768 PolarHBondContact O-N 2.99Å; I766-L769 HydrophobicContact CB-CB 4.45Å; I766-L769 HydrophobicContact CD1-CD1 4.44Å; I766-L769 HydrophobicContact CD1-CD2 4.49Å; I766-L769 HydrophobicContact CG2-CB 4.03Å; I766-L782 HydrophobicContact CD1-CD2 3.85Å; I766-L784 HydrophobicContact CB-CD2 4.46Å; I766-L784 HydrophobicContact CD1-CD2 4.39Å; I766-L784 HydrophobicContact CG1-CD2 3.9Å; I766-L784 HydrophobicContact CG2-CD2 4.04Å; I766-D971 WeakPolarHBondContact CB-OD1 3.36Å; I766-D971 PolarHBondContact N-OD1 3.48Å; I766-D971 PolarHBondContact N-OD2 2.89Å
767	R	90.5	Very high	91.4	Very high	42 Å²	42	43 Å²	43	16%	0.158	22%	0.217	C	C	.	.	S	Bend	trans	70.2	-32.6	179.2	-46	174.4	-176.9	150.2	-3.2	114.9	D690 I765 V800 V963 F966 D971	D690-R767 IonicContact OD1-NH1 3.69Å; I765-R767 HydrophobicContact CB-CG 4.42Å; I765-R767 HydrophobicContact CG2-CG 4.03Å; R767-V800 HydrophobicContact CB-CG2 4.37Å; R767-V963 VanDerWaalsContact CZ-CG1 3.49Å; R767-V963 VanDerWaalsContact NH2-CG1 3.35Å; R767-F966 HydrophobicContact CB-CB 4.46Å; R767-F966 HydrophobicContact CB-CD1 3.67Å; R767-F966 HydrophobicContact CB-CD2 4.3Å; R767-F966 HydrophobicContact CB-CE1 3.84Å; R767-F966 HydrophobicContact CB-CE2 4.45Å; R767-F966 HydrophobicContact CB-CG 3.89Å; R767-F966 HydrophobicContact CB-CZ 4.21Å; R767-F966 HydrophobicContact CG-CB 3.92Å; R767-F966 HydrophobicContact CG-CD1 4.09Å; R767-F966 HydrophobicContact CG-CD2 4.22Å; R767-F966 HydrophobicContact CG-CG 3.82Å; R767-F966 WeakPolarHBondContact O-CE1 3.37Å; R767-D971 PolarHBondContact N-OD1 3.16Å
768	R	87.4	Confident	90.3	Very high	52 Å²	52	49.3 Å²	49.3	20%	0.196	26%	0.258	C	S	.	.	S	Bend	trans	-134.1	60.1	177.8	-71.6	-172.2	56.9	-160.2	-17.8	112.1	I766 N773 D786 S788 V800 P801 P803	I766-R768 PolarHBondContact O-N 2.99Å; R768-N773 PolarHBondContact O-OD1 3.38Å; R768-D786 VanDerWaalsContact CZ-CG 3.48Å; R768-D786 IonicContact CZ-OD1 2.62Å; R768-D786 IonicContact CZ-OD2 3.93Å; R768-D786 IonicContact NH1-OD2 3.9Å; R768-D786 PolarHBondContact NH1-OD2 3.33Å; R768-D786 IonicContact NH2-OD1 3.97Å; R768-D786 PolarHBondContact NH2-OD1 3.03Å; R768-D786 IonicContact NH2-OD2 3.06Å; R768-D786 PolarHBondContact NH2-OD2 2.68Å; R768-S788 PolarHBondContact NH2-OG 3.09Å; R768-V800 HydrophobicContact CG-CG1 3.74Å; R768-P801 VanDerWaalsContact CD-O 3.28Å; R768-P801 WeakPolarHBondContact CD-O 3.42Å; R768-P801 PolarHBondContact NE-O 3.23Å; R768-P801 PolarHBondContact NH1-O 3.08Å; R768-P803 VanDerWaalsContact CZ-CD 3.41Å
769	L	93.7	Very high	89.8	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	27%	0.273	C	S	.	.			trans	-76.2	122.3	172.4	175	59.9	0	0	0	110.5	L750 M754 I766 I774 L782 Y809 A974 F975 I978	L750-L769 HydrophobicContact CD1-CD1 4.24Å; M754-L769 HydrophobicContact CE-CD2 3.48Å; M754-L769 VanDerWaalsContact CE-CD2 3.48Å; M754-L769 HydrophobicContact SD-CD2 3.57Å; M754-L769 VanDerWaalsContact SD-CD2 3.57Å; I766-L769 HydrophobicContact CB-CB 4.45Å; I766-L769 HydrophobicContact CD1-CD1 4.44Å; I766-L769 HydrophobicContact CD1-CD2 4.49Å; I766-L769 HydrophobicContact CG2-CB 4.03Å; L769-I774 HydrophobicContact CD1-CD1 4.45Å; L769-L782 HydrophobicContact CD1-CD1 3.97Å; L769-Y809 WeakPolarHBondContact O-CD1 3.37Å; L769-A974 HydrophobicContact CB-CB 4.02Å; L769-A974 HydrophobicContact CD2-CB 4.21Å; L769-A974 HydrophobicContact CG-CB 4.29Å; L769-F975 HydrophobicContact CD2-CB 4.27Å; L769-I978 HydrophobicContact CD1-CD1 3.74Å; L769-I978 HydrophobicContact CD2-CD1 4.06Å; L769-I978 HydrophobicContact CG-CD1 3.62Å
770	S	93.2	Very high	89.8	Confident	17 Å²	17	49.1 Å²	49.1	12%	0.119	25%	0.247	C	C	.	.			trans	-150.8	168.3	173.7	78.3	0	0	0	0	111.8	K772 N773	S770-K772 PolarHBondContact O-N 3.36Å; S770-K772 VanDerWaalsContact O-N 3.17Å; S770-K772 WeakPolarHBondContact OG-CB 3.37Å; S770-K772 PolarHBondContact OG-N 2.76Å; S770-N773 PolarHBondContact N-OD1 3.31Å; S770-N773 WeakPolarHBondContact O-CB 3.31Å; S770-N773 PolarHBondContact O-N 3.21Å; S770-N773 PolarHBondContact OG-OD1 3.29Å
771	S	93.4	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.1	-14	172.5	61.6	0	0	0	0	114.6	L727 Y728 N773 Y809 E981	L727-S771 WeakPolarHBondContact CB-O 3.41Å; L727-S771 PolarHBondContact N-O 3.19Å; Y728-S771 WeakPolarHBondContact CB-OG 3.21Å; Y728-S771 PolarHBondContact N-O 2.71Å; S771-N773 VanDerWaalsContact C-N 3.31Å; S771-Y809 PolarHBondContact N-OH 3.46Å; S771-Y809 VanDerWaalsContact N-OH 3.14Å; S771-Y809 PolarHBondContact OG-OH 3.47Å; S771-E981 VanDerWaalsContact CB-OE1 3.28Å; S771-E981 WeakPolarHBondContact CB-OE1 3.42Å; S771-E981 WeakPolarHBondContact CB-OE2 3.31Å; S771-E981 VanDerWaalsContact OG-CD 3.32Å; S771-E981 PolarHBondContact OG-OE1 3.04Å; S771-E981 PolarHBondContact OG-OE2 3.46Å
772	K	91	Very high	90.6	Very high	41 Å²	41	41.4 Å²	41.4	18%	0.178	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-71.8	-28.1	172.2	-60.3	178.6	-175.4	175.1	0	111.9	Y728 S770 I774 F775 D805	Y728-K772 HydrophobicContact CD1-CG 4.15Å; Y728-K772 HydrophobicContact CD2-CG 4.22Å; Y728-K772 HydrophobicContact CG-CG 3.75Å; S770-K772 PolarHBondContact O-N 3.36Å; S770-K772 VanDerWaalsContact O-N 3.17Å; S770-K772 WeakPolarHBondContact OG-CB 3.37Å; S770-K772 PolarHBondContact OG-N 2.76Å; K772-I774 VanDerWaalsContact C-N 3.35Å; K772-F775 WeakPolarHBondContact O-CE2 3.35Å; K772-D805 IonicContact NZ-OD1 3.58Å; K772-D805 IonicContact NZ-OD2 2.9Å; K772-D805 PolarHBondContact NZ-OD2 3.06Å
773	N	91.5	Very high	90.9	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-83.3	-7	-178.5	-61.1	86.1	0	0	0	113.8	R768 S770 S771 L782 Y783 M785	R768-N773 PolarHBondContact O-OD1 3.38Å; S770-N773 PolarHBondContact N-OD1 3.31Å; S770-N773 WeakPolarHBondContact O-CB 3.31Å; S770-N773 PolarHBondContact O-N 3.21Å; S770-N773 PolarHBondContact OG-OD1 3.29Å; S771-N773 VanDerWaalsContact C-N 3.31Å; N773-L782 HydrophobicContact CB-CD1 4.19Å; N773-Y783 WeakPolarHBondContact CB-O 3.18Å; N773-Y783 PolarHBondContact ND2-O 3.47Å; N773-Y783 VanDerWaalsContact ND2-O 3.15Å; N773-Y783 PolarHBondContact O-N 3.18Å; N773-M785 PolarHBondContact ND2-O 3.28Å
774	I	94.9	Very high	90.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.6	-171.3	-68	169.5	0	0	0	108.9	S726 L727 L750 L769 K772 L776 M780 L782 I978	S726-I774 CarbonylContact C-O 3.59Å; S726-I774 VanDerWaalsContact CA-O 3.23Å; S726-I774 WeakPolarHBondContact CA-O 3.36Å; L727-I774 HydrophobicContact CB-CB 3.98Å; L727-I774 HydrophobicContact CB-CG2 3.86Å; L727-I774 HydrophobicContact CD2-CB 4.4Å; L727-I774 HydrophobicContact CD2-CD1 4.14Å; L727-I774 HydrophobicContact CD2-CG2 4.11Å; L727-I774 PolarHBondContact N-O 2.58Å; L750-I774 HydrophobicContact CD1-CD1 3.97Å; L750-I774 HydrophobicContact CD1-CG1 4.27Å; L750-I774 HydrophobicContact CD2-CD1 3.68Å; L750-I774 HydrophobicContact CG-CD1 4.44Å; L769-I774 HydrophobicContact CD1-CD1 4.45Å; K772-I774 VanDerWaalsContact C-N 3.35Å; I774-L776 HydrophobicContact CG2-CD2 4.11Å; I774-M780 HydrophobicContact CG2-CG 3.7Å; I774-M780 HydrophobicContact CG2-SD 3.77Å; I774-L782 HydrophobicContact CG1-CD1 4.18Å; I774-I978 HydrophobicContact CD1-CD1 3.82Å
775	F	94.6	Very high	90.5	Very high	24 Å²	24	34 Å²	34	11%	0.105	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.8	-177.6	-78.5	-101.9	0	0	0	112.8	K772 M780 N781 Y783 Y787	K772-F775 WeakPolarHBondContact O-CE2 3.35Å; F775-M780 WeakPolarHBondContact O-CA 3.44Å; F775-N781 PolarHBondContact N-O 3.14Å; F775-N781 PolarHBondContact O-N 3.14Å; F775-Y783 HydrophobicContact CB-CD2 4.29Å; F775-Y783 HydrophobicContact CB-CE2 4Å; F775-Y783 AromaticContact CD2-CD2 3.51Å; F775-Y783 HydrophobicContact CD2-CD2 3.51Å; F775-Y783 AromaticContact CD2-CE2 3.92Å; F775-Y783 HydrophobicContact CD2-CE2 3.92Å; F775-Y783 HydrophobicContact CD2-CG 4.25Å; F775-Y783 HydrophobicContact CE2-CD2 4.18Å; F775-Y783 HydrophobicContact CE2-CG 4.5Å; F775-Y783 HydrophobicContact CG-CD2 4.17Å; F775-Y783 HydrophobicContact CG-CE2 4.13Å; F775-Y787 HydrophobicContact CE2-CD1 4.32Å; F775-Y787 HydrophobicContact CE2-CD2 4.36Å; F775-Y787 HydrophobicContact CE2-CE1 4.45Å; F775-Y787 HydrophobicContact CE2-CG 4.26Å; F775-Y787 AromaticContact CZ-CD1 3.96Å; F775-Y787 HydrophobicContact CZ-CD1 3.96Å; F775-Y787 HydrophobicContact CZ-CE1 4.15Å; F775-Y787 HydrophobicContact CZ-CG 4.29Å
776	L	92.9	Very high	89.6	Confident	13 Å²	13	33.1 Å²	33.1	7%	0.068	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	93.6	-163.8	-54.5	179.4	0	0	0	113	G724 V725 L727 K730 L746 I774 M780	G724-L776 WeakPolarHBondContact CA-O 3.32Å; V725-L776 WeakPolarHBondContact O-CB 3.28Å; V725-L776 PolarHBondContact O-N 2.74Å; L727-L776 HydrophobicContact CB-CD1 4.2Å; L727-L776 HydrophobicContact CD1-CD1 3.98Å; K730-L776 HydrophobicContact CB-CD1 4.14Å; K730-L776 HydrophobicContact CD-CD1 3.55Å; K730-L776 HydrophobicContact CG-CD1 4.44Å; L746-L776 HydrophobicContact CD1-CD1 4.41Å; L746-L776 HydrophobicContact CD1-CD2 3.9Å; L746-L776 HydrophobicContact CD2-CD2 3.5Å; L746-L776 HydrophobicContact CG-CD2 4.36Å; I774-L776 HydrophobicContact CG2-CD2 4.11Å; L776-M780 HydrophobicContact CD2-CB 4.47Å; L776-M780 HydrophobicContact CD2-CG 3.97Å
777	K	79.3	Confident	88.6	Confident	158 Å²	158	34.1 Å²	34.1	69%	0.687	17%	0.166	S	C	*	.	S	Bend	trans	160	141.1	149.7	-95.5	175.2	179.4	-169.6	0	111.4	K779	K777-K779 CarbonylContact C-O 3.53Å; K777-K779 PolarHBondContact N-O 3.49Å; K777-K779 VanDerWaalsContact N-O 3.16Å
778	P	73.4	Confident	87.2	Confident	132 Å²	132	32.7 Å²	32.7	86%	0.857	16%	0.162	S	C	*	.	S	Bend	cis	-76.3	-34.5	-17.5	30.6	-32.8	0	0	0	111.7
779	K	85.7	Confident	85.7	Confident	97 Å²	97	35.2 Å²	35.2	42%	0.422	18%	0.178	S	C	.	.	S	Bend	trans	-81.2	170.8	163.5	-68.7	-170.4	177.2	-176.5	0	110.2	E700 K777	E700-K779 IonicContact OE2-NZ 3.55Å; E700-K779 PolarHBondContact OE2-NZ 3.47Å; K777-K779 CarbonylContact C-O 3.53Å; K777-K779 PolarHBondContact N-O 3.49Å; K777-K779 VanDerWaalsContact N-O 3.16Å
780	M	93.3	Very high	84	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.6	167.8	-173.6	-75.6	-75.6	0	0	109.5	N701 L746 Q749 L750 I774 F775 L776	N701-M780 WeakPolarHBondContact CA-O 3.4Å; N701-M780 HydrophobicContact CB-CE 4.34Å; N701-M780 WeakPolarHBondContact CB-O 3.47Å; L746-M780 HydrophobicContact CD2-CB 3.85Å; L746-M780 HydrophobicContact CD2-CG 3.95Å; Q749-M780 VanDerWaalsContact C-CE 3.49Å; Q749-M780 HydrophobicContact CB-CB 4.35Å; Q749-M780 HydrophobicContact CB-CE 3.89Å; L750-M780 VanDerWaalsContact CA-CE 3.46Å; L750-M780 HydrophobicContact CB-CE 3.76Å; L750-M780 HydrophobicContact CD1-CE 4.14Å; L750-M780 VanDerWaalsContact N-CE 3.3Å; I774-M780 HydrophobicContact CG2-CG 3.7Å; I774-M780 HydrophobicContact CG2-SD 3.77Å; F775-M780 WeakPolarHBondContact O-CA 3.44Å; L776-M780 HydrophobicContact CD2-CB 4.47Å; L776-M780 HydrophobicContact CD2-CG 3.97Å
781	N	93.6	Very high	82.3	Confident	44 Å²	44	36.3 Å²	36.3	24%	0.235	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.4	172.8	-71	5.1	0	0	0	110.8	F775 Y783	F775-N781 PolarHBondContact N-O 3.14Å; F775-N781 PolarHBondContact O-N 3.14Å; N781-Y783 HydrophobicContact CB-CD2 4.42Å; N781-Y783 HydrophobicContact CB-CE2 3.74Å
782	L	95.4	Very high	80.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.8	170	174	65.7	0	0	0	110.4	N701 I702 A703 L750 A753 L757 I766 L769 N773 I774 L784	N701-L782 WeakPolarHBondContact O-CB 3.48Å; N701-L782 PolarHBondContact O-N 2.93Å; I702-L782 CarbonylContact C-O 3.43Å; I702-L782 WeakPolarHBondContact CA-O 3.37Å; A703-L782 PolarHBondContact N-O 2.79Å; L750-L782 HydrophobicContact CD1-CD1 4.18Å; L750-L782 HydrophobicContact CD1-CD2 4.21Å; A753-L782 HydrophobicContact CB-CD2 4.19Å; L757-L782 HydrophobicContact CD1-CD2 4.3Å; I766-L782 HydrophobicContact CD1-CD2 3.85Å; L769-L782 HydrophobicContact CD1-CD1 3.97Å; N773-L782 HydrophobicContact CB-CD1 4.19Å; I774-L782 HydrophobicContact CG1-CD1 4.18Å; L782-L784 HydrophobicContact CD2-CD2 4.02Å; L782-L784 HydrophobicContact CG-CD2 4.21Å
783	Y	93.7	Very high	79.1	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.008	19%	0.188	C	C	.	.			trans	-103.4	114.6	174.6	-74.6	-103	0	0	0	109.8	A703 S720 A721 S722 N773 F775 N781 M785 Y787	A703-Y783 HydrophobicContact CB-CD1 3.34Å; A703-Y783 HydrophobicContact CB-CD2 4.1Å; A703-Y783 HydrophobicContact CB-CE1 3.27Å; A703-Y783 HydrophobicContact CB-CE2 4.03Å; A703-Y783 HydrophobicContact CB-CG 3.75Å; S720-Y783 WeakPolarHBondContact O-CE1 3.28Å; S720-Y783 PolarHBondContact O-OH 3.45Å; A721-Y783 PolarHBondContact O-OH 3.39Å; S722-Y783 VanDerWaalsContact CA-OH 3.31Å; S722-Y783 WeakPolarHBondContact CA-OH 3.17Å; S722-Y783 PolarHBondContact N-OH 2.88Å; N773-Y783 WeakPolarHBondContact CB-O 3.18Å; N773-Y783 PolarHBondContact ND2-O 3.47Å; N773-Y783 VanDerWaalsContact ND2-O 3.15Å; N773-Y783 PolarHBondContact O-N 3.18Å; F775-Y783 HydrophobicContact CB-CD2 4.29Å; F775-Y783 HydrophobicContact CB-CE2 4Å; F775-Y783 AromaticContact CD2-CD2 3.51Å; F775-Y783 HydrophobicContact CD2-CD2 3.51Å; F775-Y783 AromaticContact CD2-CE2 3.92Å; F775-Y783 HydrophobicContact CD2-CE2 3.92Å; F775-Y783 HydrophobicContact CD2-CG 4.25Å; F775-Y783 HydrophobicContact CE2-CD2 4.18Å; F775-Y783 HydrophobicContact CE2-CG 4.5Å; F775-Y783 HydrophobicContact CG-CD2 4.17Å; F775-Y783 HydrophobicContact CG-CE2 4.13Å; N781-Y783 HydrophobicContact CB-CD2 4.42Å; N781-Y783 HydrophobicContact CB-CE2 3.74Å; Y783-M785 PolarHBondContact O-N 3Å; Y783-Y787 AromaticContact CD1-CE2 3.56Å; Y783-Y787 HydrophobicContact CD1-CE2 3.56Å; Y783-Y787 AromaticContact CD1-CZ 3.71Å; Y783-Y787 WeakPolarHBondContact CD1-OH 3.46Å; Y783-Y787 WeakPolarHBondContact CE1-OH 3.43Å; Y783-Y787 AromaticContact CG-CE2 3.78Å; Y783-Y787 HydrophobicContact CG-CE2 3.78Å
784	L	91.4	Very high	78.1	Confident	22 Å²	22	37.4 Å²	37.4	12%	0.115	19%	0.191	C	C	.	.			trans	-73.9	-17.6	178.5	-59.4	-179.7	0	0	0	112.9	L694 T697 I702 L757 I766 L782	L694-L784 HydrophobicContact CD2-CB 3.91Å; L694-L784 HydrophobicContact CD2-CD1 4.39Å; T697-L784 HydrophobicContact CG2-CD1 3.98Å; I702-L784 HydrophobicContact CG2-CD1 4.22Å; I702-L784 HydrophobicContact CG2-CG 4.27Å; L757-L784 HydrophobicContact CD1-CD1 4.46Å; L757-L784 HydrophobicContact CD1-CD2 3.92Å; L757-L784 HydrophobicContact CD2-CD1 4.14Å; I766-L784 HydrophobicContact CB-CD2 4.46Å; I766-L784 HydrophobicContact CD1-CD2 4.39Å; I766-L784 HydrophobicContact CG1-CD2 3.9Å; I766-L784 HydrophobicContact CG2-CD2 4.04Å; L782-L784 HydrophobicContact CD2-CD2 4.02Å; L782-L784 HydrophobicContact CG-CD2 4.21Å
785	M	84.9	Confident	76.6	Confident	15 Å²	15	42.8 Å²	42.8	7%	0.074	22%	0.216	C	C	.	.	S	Bend	trans	-78.6	149.3	170.5	-71.1	-56	-76.1	0	0	111.7	H674 F676 L694 I717 N773 Y783 Y787	H674-M785 HydrophobicContact CB-CE 4.44Å; F676-M785 HydrophobicContact CE2-CE 4.42Å; F676-M785 HydrophobicContact CZ-CE 3.7Å; L694-M785 HydrophobicContact CD1-CG 3.91Å; L694-M785 HydrophobicContact CD1-SD 3.72Å; L694-M785 HydrophobicContact CD2-CG 4.35Å; I717-M785 HydrophobicContact CD1-CE 3.87Å; I717-M785 HydrophobicContact CD1-SD 4.35Å; N773-M785 PolarHBondContact ND2-O 3.28Å; Y783-M785 PolarHBondContact O-N 3Å; M785-Y787 WeakPolarHBondContact O-CD2 3.43Å
786	D	74.1	Confident	75.7	Confident	18 Å²	18	45 Å²	45	10%	0.096	23%	0.228	C	C	.	.			trans	-79.2	127.7	176.7	-173.5	28	0	0	0	112.3	K660 R768 S788	K660-D786 PolarHBondContact NZ-O 3Å; R768-D786 VanDerWaalsContact CZ-CG 3.48Å; R768-D786 IonicContact CZ-OD1 2.62Å; R768-D786 IonicContact CZ-OD2 3.93Å; R768-D786 IonicContact NH1-OD2 3.9Å; R768-D786 PolarHBondContact NH1-OD2 3.33Å; R768-D786 IonicContact NH2-OD1 3.97Å; R768-D786 PolarHBondContact NH2-OD1 3.03Å; R768-D786 IonicContact NH2-OD2 3.06Å; R768-D786 PolarHBondContact NH2-OD2 2.68Å; D786-S788 WeakPolarHBondContact OD1-CB 3.33Å; D786-S788 PolarHBondContact OD1-N 2.88Å; D786-S788 PolarHBondContact OD1-OG 3.49Å; D786-S788 WeakPolarHBondContact OD2-CB 3.29Å; D786-S788 PolarHBondContact OD2-OG 2.77Å
787	Y	72.3	Confident	74.7	Confident	27 Å²	27	47 Å²	47	11%	0.106	24%	0.242	C	C	.	.			trans	-105.5	9.6	172.1	-77.5	-105.2	0	0	0	112.5	I662 D672 H674 F775 Y783 M785	I662-Y787 HydrophobicContact CD1-CD1 3.92Å; I662-Y787 HydrophobicContact CD1-CE1 4.33Å; I662-Y787 HydrophobicContact CD1-CG 4.12Å; I662-Y787 HydrophobicContact CG2-CE1 4.17Å; D672-Y787 WeakPolarHBondContact OD2-CE1 3.44Å; D672-Y787 PolarHBondContact OD2-OH 3.08Å; H674-Y787 AromaticContact CE1-CE2 3.59Å; H674-Y787 AromaticContact CE1-CZ 3.61Å; F775-Y787 HydrophobicContact CE2-CD1 4.32Å; F775-Y787 HydrophobicContact CE2-CD2 4.36Å; F775-Y787 HydrophobicContact CE2-CE1 4.45Å; F775-Y787 HydrophobicContact CE2-CG 4.26Å; F775-Y787 AromaticContact CZ-CD1 3.96Å; F775-Y787 HydrophobicContact CZ-CD1 3.96Å; F775-Y787 HydrophobicContact CZ-CE1 4.15Å; F775-Y787 HydrophobicContact CZ-CG 4.29Å; Y783-Y787 AromaticContact CD1-CE2 3.56Å; Y783-Y787 HydrophobicContact CD1-CE2 3.56Å; Y783-Y787 AromaticContact CD1-CZ 3.71Å; Y783-Y787 WeakPolarHBondContact CD1-OH 3.46Å; Y783-Y787 WeakPolarHBondContact CE1-OH 3.43Å; Y783-Y787 AromaticContact CG-CE2 3.78Å; Y783-Y787 HydrophobicContact CG-CE2 3.78Å; M785-Y787 WeakPolarHBondContact O-CD2 3.43Å
788	S	62.2	Low	74.8	Confident	11 Å²	11	42.1 Å²	42.1	8%	0.077	22%	0.224	C	C	.	.	S	Bend	trans	-72.3	162.8	178.2	89.3	0	0	0	0	113.4	R768 D786 V790	R768-S788 PolarHBondContact NH2-OG 3.09Å; D786-S788 WeakPolarHBondContact OD1-CB 3.33Å; D786-S788 PolarHBondContact OD1-N 2.88Å; D786-S788 PolarHBondContact OD1-OG 3.49Å; D786-S788 WeakPolarHBondContact OD2-CB 3.29Å; D786-S788 PolarHBondContact OD2-OG 2.77Å; S788-V790 PolarHBondContact O-N 3.08Å; S788-V790 PolarHBondContact OG-N 3.15Å
789	M	54.2	Low	75.4	Confident	105 Å²	105	38.5 Å²	38.5	52%	0.517	20%	0.195	S	C	.	.	S	Bend	trans	-73.6	-3.7	175.7	-90.8	-84.6	-178.4	0	0	114.6	Q655 I908	Q655-M789 PolarHBondContact NE2-SD 3.45Å; M789-I908 HydrophobicContact CE-CD1 3.52Å; M789-I908 HydrophobicContact CE-CG1 3.48Å; M789-I908 VanDerWaalsContact CE-CG1 3.48Å
790	V	58.9	Low	75.3	Confident	24 Å²	24	34.2 Å²	34.2	15%	0.145	18%	0.177	C	C	.	.	S	Bend	trans	-89.9	130.6	-177.2	177.7	0	0	0	0	109.9	S788 P803 C958	S788-V790 PolarHBondContact O-N 3.08Å; S788-V790 PolarHBondContact OG-N 3.15Å; V790-P803 HydrophobicContact CB-CG 3.95Å; V790-P803 HydrophobicContact CG2-CB 3.7Å; V790-P803 HydrophobicContact CG2-CG 3.63Å; V790-C958 HydrophobicContact CG1-CB 4.06Å
791	D	57	Low	74.9	Confident	21 Å²	21	34.8 Å²	34.8	11%	0.112	18%	0.181	C	C	.	.			trans	-57.7	143.9	179.7	-51	-70.6	0	0	0	111	G657 E658 D793 K957	G657-D791 WeakPolarHBondContact CA-OD1 3.48Å; E658-D791 WeakPolarHBondContact CB-OD1 3.29Å; E658-D791 PolarHBondContact N-OD1 2.82Å; D791-D793 VanDerWaalsContact C-N 3.34Å; D791-D793 PolarHBondContact O-N 3.29Å; D791-K957 IonicContact OD2-NZ 2.67Å; D791-K957 PolarHBondContact OD2-NZ 3.07Å
792	C	57.1	Low	74.5	Confident	16 Å²	16	32.8 Å²	32.8	11%	0.108	17%	0.17	C	C	.	.			trans	-82.1	85.6	-177.4	-79.3	0	0	0	0	110.4	K660 Y794	K660-C792 HydrophobicContact CD-CB 4.02Å; K660-C792 WeakPolarHBondContact CD-SG 3.39Å; K660-C792 PolarHBondContact NZ-SG 3.17Å; C792-Y794 PolarHBondContact O-N 2.94Å
793	D	60.2	Low	73.8	Confident	34 Å²	34	33 Å²	33	18%	0.182	17%	0.171	C	C	.	.			trans	-66.4	71.5	165.8	-69.8	-35.1	0	0	0	110.8	D791 Q795 P801 H960	D791-D793 VanDerWaalsContact C-N 3.34Å; D791-D793 PolarHBondContact O-N 3.29Å; D793-Q795 PolarHBondContact O-N 2.92Å; D793-Q795 PolarHBondContact OD1-NE2 3.4Å; D793-P801 HydrophobicContact CB-CB 4.37Å; D793-H960 WeakPolarHBondContact CB-NE2 3.29Å; D793-H960 IonicContact OD2-CE1 2.68Å
794	Y	70.6	Confident	73.2	Confident	17 Å²	17	35 Å²	35	7%	0.067	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.1	156.5	-66.3	-36.8	0	0	0	111.3	F676 L679 E683 R686 C792 I796	F676-Y794 HydrophobicContact CD1-CD2 4.45Å; F676-Y794 AromaticContact CD1-CE2 3.54Å; F676-Y794 HydrophobicContact CD1-CE2 3.54Å; F676-Y794 AromaticContact CE1-CE2 3.58Å; F676-Y794 HydrophobicContact CE1-CE2 3.58Å; F676-Y794 AromaticContact CE1-CZ 3.7Å; F676-Y794 WeakPolarHBondContact CE1-OH 3.26Å; F676-Y794 HydrophobicContact CG-CE2 4.39Å; F676-Y794 HydrophobicContact CZ-CE2 4.48Å; F676-Y794 WeakPolarHBondContact CZ-OH 3.23Å; L679-Y794 HydrophobicContact CD2-CD2 3.79Å; L679-Y794 HydrophobicContact CD2-CE2 4.21Å; E683-Y794 HydrophobicContact CB-CD2 4.48Å; R686-Y794 HydrophobicContact CB-CD1 4.05Å; R686-Y794 HydrophobicContact CB-CE1 4.48Å; R686-Y794 HydrophobicContact CB-CG 4.39Å; R686-Y794 HydrophobicContact CG-CD1 3.36Å; R686-Y794 HydrophobicContact CG-CE1 3.6Å; R686-Y794 HydrophobicContact CG-CG 4.17Å; C792-Y794 PolarHBondContact O-N 2.94Å; Y794-I796 CarbonylContact O-C 3.5Å; Y794-I796 PolarHBondContact O-N 3.02Å
795	Q	64.3	Low	72.5	Confident	118 Å²	118	37 Å²	37	55%	0.551	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-29.3	175.7	-59.5	-169.4	57.4	0	0	114.5	E683 D793 P797	E683-Q795 WeakPolarHBondContact OE1-CG 3.43Å; E683-Q795 PolarHBondContact OE1-N 3.43Å; D793-Q795 PolarHBondContact O-N 2.92Å; D793-Q795 PolarHBondContact OD1-NE2 3.4Å; Q795-P797 WeakPolarHBondContact O-CD 3.48Å
796	I	74.3	Confident	72.4	Confident	70 Å²	70	37 Å²	37	36%	0.359	20%	0.197	S	C	.	.	S	Bend	trans	-101.6	104.7	173.1	-49.7	-167.7	0	0	0	108.7	Y794 H799 H960	Y794-I796 CarbonylContact O-C 3.5Å; Y794-I796 PolarHBondContact O-N 3.02Å; I796-H799 HydrophobicContact CB-CB 4.24Å; I796-H799 HydrophobicContact CG2-CB 3.93Å; I796-H799 PolarHBondContact O-N 2.89Å; I796-H960 HydrophobicContact CD1-CB 4.24Å
797	P	73.4	Confident	73	Confident	56 Å²	56	36.2 Å²	36.2	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	143.9	-176.4	-25.4	35.6	0	0	0	112.4	Q795 H799	Q795-P797 WeakPolarHBondContact O-CD 3.48Å; P797-H799 PolarHBondContact O-N 2.76Å; P797-H799 PolarHBondContact O-ND1 3.06Å
798	D	80.7	Confident	73.7	Confident	55 Å²	55	36.5 Å²	36.5	29%	0.294	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	25.7	175.9	-57.9	-57.4	0	0	0	115	K685 Q689 V963	K685-D798 IonicContact NZ-OD1 2.59Å; K685-D798 IonicContact NZ-OD2 2.78Å; K685-D798 PolarHBondContact NZ-OD2 2.88Å; Q689-D798 PolarHBondContact NE2-OD1 3.43Å; D798-V963 VanDerWaalsContact C-CG2 3.4Å; D798-V963 VanDerWaalsContact O-CB 3.22Å; D798-V963 WeakPolarHBondContact O-CB 3.4Å; D798-V963 WeakPolarHBondContact O-CG2 3.44Å; D798-V963 PolarHBondContact O-N 3.45Å
799	H	85.6	Confident	75.2	Confident	56 Å²	56	36.5 Å²	36.5	26%	0.259	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	175.5	170.9	-73.1	64.2	0	0	0	112.2	R686 I796 P797 H960 I961 V963	R686-H799 PolarHBondContact NH2-O 3.48Å; I796-H799 HydrophobicContact CB-CB 4.24Å; I796-H799 HydrophobicContact CG2-CB 3.93Å; I796-H799 PolarHBondContact O-N 2.89Å; P797-H799 PolarHBondContact O-N 2.76Å; P797-H799 PolarHBondContact O-ND1 3.06Å; H799-H960 HydrophobicContact CB-CB 4.38Å; H799-I961 CarbonylContact C-O 3.41Å; H799-I961 WeakPolarHBondContact CA-O 3.32Å; H799-V963 WeakPolarHBondContact O-CG2 3.5Å
800	V	85	Confident	77	Confident	7 Å²	7	31.9 Å²	31.9	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.9	172.1	177.5	0	0	0	0	108.2	R767 R768 I802 H960 I961 V963 F966	R767-V800 HydrophobicContact CB-CG2 4.37Å; R768-V800 HydrophobicContact CG-CG1 3.74Å; V800-I802 HydrophobicContact CG1-CG1 4.05Å; V800-I802 PolarHBondContact O-N 2.85Å; V800-H960 WeakPolarHBondContact O-CA 3.1Å; V800-I961 PolarHBondContact N-O 3.21Å; V800-I961 PolarHBondContact O-N 3.45Å; V800-V963 HydrophobicContact CG2-CG2 3.82Å; V800-F966 HydrophobicContact CB-CE2 3.73Å; V800-F966 HydrophobicContact CB-CZ 3.81Å; V800-F966 HydrophobicContact CG1-CE2 4.41Å; V800-F966 HydrophobicContact CG1-CZ 4.04Å; V800-F966 HydrophobicContact CG2-CD2 4.14Å; V800-F966 HydrophobicContact CG2-CE2 3.44Å; V800-F966 VanDerWaalsContact CG2-CE2 3.44Å; V800-F966 HydrophobicContact CG2-CZ 3.9Å
801	P	84.3	Confident	78.7	Confident	12 Å²	12	30.8 Å²	30.8	8%	0.078	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.6	168.3	26.4	-31.5	0	0	0	110.1	R768 D793	R768-P801 VanDerWaalsContact CD-O 3.28Å; R768-P801 WeakPolarHBondContact CD-O 3.42Å; R768-P801 PolarHBondContact NE-O 3.23Å; R768-P801 PolarHBondContact NH1-O 3.08Å; D793-P801 HydrophobicContact CB-CB 4.37Å
802	I	85	Confident	80.5	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.7	179.2	-53.7	177.1	0	0	0	108.5	V800 I810 C958 V959 I961 F966	V800-I802 HydrophobicContact CG1-CG1 4.05Å; V800-I802 PolarHBondContact O-N 2.85Å; I802-I810 HydrophobicContact CD1-CD1 3.76Å; I802-I810 HydrophobicContact CD1-CG1 4.19Å; I802-I810 HydrophobicContact CG2-CD1 4.15Å; I802-I810 HydrophobicContact CG2-CG1 4.17Å; I802-C958 CarbonylContact O-C 3.54Å; I802-C958 WeakPolarHBondContact O-CA 3.41Å; I802-C958 VanDerWaalsContact O-CB 3.32Å; I802-C958 WeakPolarHBondContact O-CB 3.29Å; I802-V959 HydrophobicContact CB-CG2 3.95Å; I802-V959 WeakPolarHBondContact CB-O 3.44Å; I802-V959 HydrophobicContact CG2-CG2 4.42Å; I802-V959 PolarHBondContact N-O 3.43Å; I802-V959 PolarHBondContact O-N 3.03Å; I802-I961 HydrophobicContact CD1-CB 4.16Å; I802-I961 HydrophobicContact CD1-CD1 3.34Å; I802-I961 HydrophobicContact CD1-CG1 3.52Å; I802-F966 HydrophobicContact CD1-CE1 4.49Å; I802-F966 HydrophobicContact CD1-CZ 4.01Å
803	P	80.7	Confident	82.2	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	146.6	171.8	-26.5	34.8	0	0	0	112.3	R768 V790 D805 G806 V807	R768-P803 VanDerWaalsContact CZ-CD 3.41Å; V790-P803 HydrophobicContact CB-CG 3.95Å; V790-P803 HydrophobicContact CG2-CB 3.7Å; V790-P803 HydrophobicContact CG2-CG 3.63Å; P803-D805 WeakPolarHBondContact CB-OD1 3.44Å; P803-D805 PolarHBondContact O-N 3.33Å; P803-G806 VanDerWaalsContact O-CA 3.32Å; P803-G806 WeakPolarHBondContact O-CA 2.92Å; P803-G806 PolarHBondContact O-N 3.11Å; P803-V807 PolarHBondContact O-N 3.03Å
804	L	80.3	Confident	83.8	Confident	44 Å²	44	30 Å²	30	23%	0.23	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.8	179.9	-67.5	176.6	0	0	0	113.7	G806 V807 L825 V959 L994	L804-G806 VanDerWaalsContact C-N 3.35Å; L804-V807 WeakPolarHBondContact O-CB 3.32Å; L804-V807 WeakPolarHBondContact O-CG2 3.44Å; L804-V807 PolarHBondContact O-N 2.88Å; L804-L825 HydrophobicContact CD2-CD1 3.75Å; L804-V959 HydrophobicContact CD2-CG1 3.98Å; L804-L994 HydrophobicContact CB-CD2 4.28Å; L804-L994 HydrophobicContact CD2-CD2 4.04Å
805	D	76.4	Confident	84.7	Confident	65 Å²	65	29.2 Å²	29.2	35%	0.348	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.1	173	73.6	-32.6	0	0	0	113.1	K772 P803 V807	K772-D805 IonicContact NZ-OD1 3.58Å; K772-D805 IonicContact NZ-OD2 2.9Å; K772-D805 PolarHBondContact NZ-OD2 3.06Å; P803-D805 WeakPolarHBondContact CB-OD1 3.44Å; P803-D805 PolarHBondContact O-N 3.33Å; D805-V807 VanDerWaalsContact C-N 3.3Å; D805-V807 PolarHBondContact O-N 3.36Å
806	G	83.5	Confident	85.8	Confident	15 Å²	15	28.8 Å²	28.8	16%	0.155	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-71.2	-19	171	0	0	0	0	0	114.2	P803 L804 K808 Y809	P803-G806 VanDerWaalsContact O-CA 3.32Å; P803-G806 WeakPolarHBondContact O-CA 2.92Å; P803-G806 PolarHBondContact O-N 3.11Å; L804-G806 VanDerWaalsContact C-N 3.35Å; G806-K808 PolarHBondContact O-N 2.79Å; G806-K808 VanDerWaalsContact O-N 3.11Å; G806-Y809 PolarHBondContact O-N 2.71Å
807	V	86.8	Confident	86.2	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-58.2	-27.7	-179.5	179.3	0	0	0	0	112.2	P803 L804 D805 Y809 I810 L815 I822 V959 L994 I998	P803-V807 PolarHBondContact O-N 3.03Å; L804-V807 WeakPolarHBondContact O-CB 3.32Å; L804-V807 WeakPolarHBondContact O-CG2 3.44Å; L804-V807 PolarHBondContact O-N 2.88Å; D805-V807 VanDerWaalsContact C-N 3.3Å; D805-V807 PolarHBondContact O-N 3.36Å; V807-Y809 PolarHBondContact O-N 2.9Å; V807-Y809 VanDerWaalsContact O-N 3.14Å; V807-I810 WeakPolarHBondContact O-CB 3.45Å; V807-I810 PolarHBondContact O-N 3.03Å; V807-L815 HydrophobicContact CG1-CD2 3.74Å; V807-I822 HydrophobicContact CG1-CD1 4.36Å; V807-V959 HydrophobicContact CG2-CG2 3.9Å; V807-L994 HydrophobicContact CB-CD1 4.03Å; V807-L994 HydrophobicContact CG1-CD1 3.95Å; V807-I998 HydrophobicContact CG1-CD1 4.16Å; V807-I998 HydrophobicContact CG1-CG1 4.16Å
808	K	87.1	Confident	86.6	Confident	34 Å²	34	27 Å²	27	15%	0.148	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-66.4	-11.2	177.1	-58	-163	175	-157.1	0	114.7	G806 T977 Y987 P988 Y989	G806-K808 PolarHBondContact O-N 2.79Å; G806-K808 VanDerWaalsContact O-N 3.11Å; K808-T977 PolarHBondContact O-OG1 3.17Å; K808-Y987 HydrophobicContact CD-CD1 4.45Å; K808-Y987 HydrophobicContact CD-CG 3.95Å; K808-P988 PolarHBondContact NZ-O 3.39Å; K808-Y989 PolarHBondContact NZ-O 3.48Å
809	Y	92.9	Very high	86.7	Confident	10 Å²	10	28.5 Å²	28.5	4%	0.039	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-98.1	-5.3	173.5	-64	-97.4	0	0	0	113	L769 S771 G806 V807 A974 T977 I978 E981 Y987	L769-Y809 WeakPolarHBondContact O-CD1 3.37Å; S771-Y809 PolarHBondContact N-OH 3.46Å; S771-Y809 VanDerWaalsContact N-OH 3.14Å; S771-Y809 PolarHBondContact OG-OH 3.47Å; G806-Y809 PolarHBondContact O-N 2.71Å; V807-Y809 PolarHBondContact O-N 2.9Å; V807-Y809 VanDerWaalsContact O-N 3.14Å; Y809-A974 HydrophobicContact CD1-CB 4.46Å; Y809-T977 HydrophobicContact CD1-CG2 3.66Å; Y809-T977 HydrophobicContact CE1-CG2 3.9Å; Y809-T977 HydrophobicContact CG-CG2 4.11Å; Y809-I978 HydrophobicContact CD1-CG1 4.45Å; Y809-I978 HydrophobicContact CE1-CG1 3.86Å; Y809-E981 PolarHBondContact OH-OE1 3.35Å; Y809-E981 PolarHBondContact OH-OE2 2.88Å; Y809-Y987 HydrophobicContact CE2-CD1 4.43Å; Y809-Y987 AromaticContact CE2-CE1 3.71Å; Y809-Y987 HydrophobicContact CE2-CE1 3.71Å; Y809-Y987 AromaticContact CZ-CE1 3.9Å
810	I	92.9	Very high	86.3	Confident	9 Å²	9	33.8 Å²	33.8	5%	0.046	17%	0.169	C	C	.	.			trans	-88	131	-170	-56.5	-53.6	0	0	0	110.7	I802 V807 L814 L815 I961 F973	I802-I810 HydrophobicContact CD1-CD1 3.76Å; I802-I810 HydrophobicContact CD1-CG1 4.19Å; I802-I810 HydrophobicContact CG2-CD1 4.15Å; I802-I810 HydrophobicContact CG2-CG1 4.17Å; V807-I810 WeakPolarHBondContact O-CB 3.45Å; V807-I810 PolarHBondContact O-N 3.03Å; I810-L814 HydrophobicContact CG2-CB 3.43Å; I810-L814 VanDerWaalsContact CG2-CB 3.43Å; I810-L814 HydrophobicContact CG2-CD1 4.13Å; I810-L814 HydrophobicContact CG2-CG 4.42Å; I810-L815 HydrophobicContact CB-CD2 3.97Å; I810-L815 HydrophobicContact CB-CG 4.39Å; I810-L815 HydrophobicContact CG2-CD2 3.83Å; I810-L815 HydrophobicContact CG2-CG 4.05Å; I810-I961 HydrophobicContact CG2-CD1 3.97Å; I810-F973 WeakPolarHBondContact O-CE1 3.23Å
811	A	94.9	Very high	85.9	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.186	C	C	.	.			trans	-72.3	152.9	-176.3	0	0	0	0	0	112.4	E813 L814 L815 F973	A811-E813 VanDerWaalsContact C-N 3.29Å; A811-E813 VanDerWaalsContact CB-CD 3.42Å; A811-E813 VanDerWaalsContact CB-OE1 3.24Å; A811-E813 WeakPolarHBondContact CB-OE1 3.3Å; A811-E813 WeakPolarHBondContact CB-OE2 3.36Å; A811-E813 PolarHBondContact O-N 3.17Å; A811-L814 WeakPolarHBondContact O-CA 3.09Å; A811-L814 WeakPolarHBondContact O-CB 3.27Å; A811-L814 PolarHBondContact O-N 2.94Å; A811-L815 PolarHBondContact O-N 3.35Å; A811-F973 HydrophobicContact CB-CB 3.65Å; A811-F973 HydrophobicContact CB-CD1 3.93Å; A811-F973 HydrophobicContact CB-CD2 4.11Å; A811-F973 HydrophobicContact CB-CG 3.62Å
812	P	93.6	Very high	85.5	Confident	10 Å²	10	35.3 Å²	35.3	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-38.6	-175.8	-26.5	33.9	0	0	0	114.5	L814 L815 L816 F973	P812-L814 VanDerWaalsContact C-N 3.25Å; P812-L814 PolarHBondContact O-N 3.3Å; P812-L815 PolarHBondContact O-N 3.14Å; P812-L816 WeakPolarHBondContact O-CG 3.3Å; P812-L816 PolarHBondContact O-N 3.16Å; P812-F973 HydrophobicContact CG-CE2 4.23Å
813	E	93.3	Very high	84.9	Confident	41 Å²	41	39.2 Å²	39.2	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-33.6	177.2	69.8	-79.8	-168	0	0	112.6	A811 P1030 R1033	A811-E813 VanDerWaalsContact C-N 3.29Å; A811-E813 VanDerWaalsContact CB-CD 3.42Å; A811-E813 VanDerWaalsContact CB-OE1 3.24Å; A811-E813 WeakPolarHBondContact CB-OE1 3.3Å; A811-E813 WeakPolarHBondContact CB-OE2 3.36Å; A811-E813 PolarHBondContact O-N 3.17Å; E813-P1030 HydrophobicContact CB-CG 4.46Å; E813-P1030 HydrophobicContact CG-CG 4.17Å; E813-R1033 IonicContact OE1-CZ 3.02Å; E813-R1033 IonicContact OE1-NH1 2.85Å; E813-R1033 PolarHBondContact OE1-NH1 3.05Å; E813-R1033 IonicContact OE1-NH2 3.36Å; E813-R1033 IonicContact OE2-CZ 2.79Å; E813-R1033 IonicContact OE2-NH1 3.86Å; E813-R1033 PolarHBondContact OE2-NH1 2.9Å; E813-R1033 IonicContact OE2-NH2 2.71Å; E813-R1033 PolarHBondContact OE2-NH2 3.28Å
814	L	93.5	Very high	84.6	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-79.5	-36.1	175.1	-66	-172.8	0	0	0	111.8	I810 A811 P812 L816 N817 I961 E965 F966	I810-L814 HydrophobicContact CG2-CB 3.43Å; I810-L814 VanDerWaalsContact CG2-CB 3.43Å; I810-L814 HydrophobicContact CG2-CD1 4.13Å; I810-L814 HydrophobicContact CG2-CG 4.42Å; A811-L814 WeakPolarHBondContact O-CA 3.09Å; A811-L814 WeakPolarHBondContact O-CB 3.27Å; A811-L814 PolarHBondContact O-N 2.94Å; P812-L814 VanDerWaalsContact C-N 3.25Å; P812-L814 PolarHBondContact O-N 3.3Å; L814-L816 VanDerWaalsContact C-N 3.3Å; L814-L816 PolarHBondContact O-N 2.79Å; L814-N817 PolarHBondContact O-N 2.04Å; L814-I961 HydrophobicContact CB-CD1 3.91Å; L814-I961 HydrophobicContact CD2-CG2 4.19Å; L814-E965 HydrophobicContact CD2-CB 3.63Å; L814-E965 VanDerWaalsContact CD2-O 3.3Å; L814-E965 WeakPolarHBondContact CD2-O 3.49Å; L814-F966 HydrophobicContact CD1-CD1 3.62Å; L814-F966 HydrophobicContact CD1-CE1 3.7Å; L814-F966 HydrophobicContact CD1-CG 4.42Å
815	L	90.8	Very high	84	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-35.1	176.2	-69.2	177.9	0	0	0	112.1	V807 I810 A811 P812 N817 I818 K819 L1001 L1002	V807-L815 HydrophobicContact CG1-CD2 3.74Å; I810-L815 HydrophobicContact CB-CD2 3.97Å; I810-L815 HydrophobicContact CB-CG 4.39Å; I810-L815 HydrophobicContact CG2-CD2 3.83Å; I810-L815 HydrophobicContact CG2-CG 4.05Å; A811-L815 PolarHBondContact O-N 3.35Å; P812-L815 PolarHBondContact O-N 3.14Å; L815-N817 VanDerWaalsContact C-N 3.32Å; L815-N817 PolarHBondContact O-N 2.83Å; L815-I818 CarbonylContact O-C 3.58Å; L815-I818 PolarHBondContact O-N 3.22Å; L815-K819 PolarHBondContact O-N 3.2Å; L815-L1001 HydrophobicContact CD1-CB 3.9Å; L815-L1001 HydrophobicContact CD1-CD1 4.02Å; L815-L1002 HydrophobicContact CB-CD2 3.82Å; L815-L1002 HydrophobicContact CB-CG 4.44Å
816	L	87.9	Confident	83.5	Confident	108 Å²	108	41.9 Å²	41.9	57%	0.565	21%	0.211	S	C	*	.	H	α-helix	trans	-57.2	-43.3	176.3	-74.2	171	0	0	0	112.3	P812 L814 I818 K819 L1002	P812-L816 WeakPolarHBondContact O-CG 3.3Å; P812-L816 PolarHBondContact O-N 3.16Å; L814-L816 VanDerWaalsContact C-N 3.3Å; L814-L816 PolarHBondContact O-N 2.79Å; L816-I818 VanDerWaalsContact C-N 3.29Å; L816-I818 PolarHBondContact O-N 2.86Å; L816-K819 WeakPolarHBondContact O-CB 3.34Å; L816-K819 PolarHBondContact O-N 3.27Å; L816-L1002 HydrophobicContact CD2-CD2 3.83Å; L816-L1002 HydrophobicContact CG-CD2 3.93Å
817	N	81.6	Confident	82.4	Confident	84 Å²	84	45.8 Å²	45.8	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-31.1	-178.9	-72.7	-22.5	0	0	0	113.1	L814 L815 E965	L814-N817 PolarHBondContact O-N 2.04Å; L815-N817 VanDerWaalsContact C-N 3.32Å; L815-N817 PolarHBondContact O-N 2.83Å; N817-E965 VanDerWaalsContact ND2-CG 3.32Å; N817-E965 WeakPolarHBondContact ND2-CG 3.44Å; N817-E965 PolarHBondContact ND2-OE2 2.97Å
818	I	82.4	Confident	80.7	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-103.9	3.3	177.7	55.4	174.5	0	0	0	114.2	L815 L816 K820 A821 I822 V959 H960 I961	L815-I818 CarbonylContact O-C 3.58Å; L815-I818 PolarHBondContact O-N 3.22Å; L816-I818 VanDerWaalsContact C-N 3.29Å; L816-I818 PolarHBondContact O-N 2.86Å; I818-K820 VanDerWaalsContact C-N 3.34Å; I818-K820 PolarHBondContact O-N 3.43Å; I818-A821 HydrophobicContact CB-CB 4.47Å; I818-A821 WeakPolarHBondContact O-CA 3.48Å; I818-A821 WeakPolarHBondContact O-CB 3.05Å; I818-A821 PolarHBondContact O-N 2.76Å; I818-I822 HydrophobicContact CB-CD1 4.44Å; I818-I822 HydrophobicContact CD1-CD1 3.76Å; I818-I822 HydrophobicContact CG1-CD1 3.91Å; I818-I822 PolarHBondContact O-N 2.7Å; I818-V959 HydrophobicContact CD1-CB 4.07Å; I818-V959 HydrophobicContact CD1-CG2 3.59Å; I818-H960 VanDerWaalsContact CG2-O 3.27Å; I818-H960 WeakPolarHBondContact CG2-O 3.46Å; I818-I961 HydrophobicContact CD1-CD1 3.8Å; I818-I961 HydrophobicContact CD1-CG1 4.01Å; I818-I961 HydrophobicContact CG1-CD1 4.36Å; I818-I961 HydrophobicContact CG2-CD1 4.45Å; I818-I961 HydrophobicContact CG2-CG1 3.72Å
819	K	81.6	Confident	78.7	Confident	86 Å²	86	52.1 Å²	52.1	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-50.9	-52.4	-179.9	179.5	179.7	169.2	172.3	0	111.2	L815 L816 A821 I822 E823 L1002	L815-K819 PolarHBondContact O-N 3.2Å; L816-K819 WeakPolarHBondContact O-CB 3.34Å; L816-K819 PolarHBondContact O-N 3.27Å; K819-A821 VanDerWaalsContact C-N 3.27Å; K819-A821 PolarHBondContact O-N 3.12Å; K819-I822 PolarHBondContact O-N 2.66Å; K819-E823 VanDerWaalsContact CE-CD 3.49Å; K819-E823 WeakPolarHBondContact CE-OE1 3.49Å; K819-E823 HydrophobicContact CG-CG 4.32Å; K819-E823 IonicContact NZ-OE1 3.59Å; K819-E823 WeakPolarHBondContact O-CB 3.47Å; K819-E823 WeakPolarHBondContact O-CG 3.33Å; K819-E823 PolarHBondContact O-N 3.27Å; K819-L1002 HydrophobicContact CD-CD1 3.97Å; K819-L1002 HydrophobicContact CG-CD1 4.29Å
820	K	78.4	Confident	76.1	Confident	168 Å²	168	53 Å²	53	73%	0.73	27%	0.268	S	S	*	.	H	α-helix	trans	-63.5	-27.5	177.7	-67.5	-177	178.3	179.6	0	114.2	I818 K824	I818-K820 VanDerWaalsContact C-N 3.34Å; I818-K820 PolarHBondContact O-N 3.43Å; K820-K824 WeakPolarHBondContact O-CG 3.36Å; K820-K824 PolarHBondContact O-N 2.79Å
821	A	77.3	Confident	73.2	Confident	46 Å²	46	59.4 Å²	59.4	38%	0.38	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-47.7	174.4	0	0	0	0	0	109.7	I818 K819 K824 L825	I818-A821 HydrophobicContact CB-CB 4.47Å; I818-A821 WeakPolarHBondContact O-CA 3.48Å; I818-A821 WeakPolarHBondContact O-CB 3.05Å; I818-A821 PolarHBondContact O-N 2.76Å; K819-A821 VanDerWaalsContact C-N 3.27Å; K819-A821 PolarHBondContact O-N 3.12Å; A821-K824 WeakPolarHBondContact O-CB 3.44Å; A821-K824 PolarHBondContact O-N 3.3Å; A821-L825 WeakPolarHBondContact O-CG 3.45Å; A821-L825 PolarHBondContact O-N 2.68Å
822	I	75.2	Confident	70.2	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-69.8	-33.9	-179.9	-56.4	167.2	0	0	0	111.9	V807 I818 K819 K824 L825 C826 V959 I998	V807-I822 HydrophobicContact CG1-CD1 4.36Å; I818-I822 HydrophobicContact CB-CD1 4.44Å; I818-I822 HydrophobicContact CD1-CD1 3.76Å; I818-I822 HydrophobicContact CG1-CD1 3.91Å; I818-I822 PolarHBondContact O-N 2.7Å; K819-I822 PolarHBondContact O-N 2.66Å; I822-K824 VanDerWaalsContact C-N 3.32Å; I822-K824 PolarHBondContact O-N 2.72Å; I822-L825 CarbonylContact O-C 3.57Å; I822-L825 WeakPolarHBondContact O-CA 3.46Å; I822-L825 WeakPolarHBondContact O-CB 3.46Å; I822-L825 PolarHBondContact O-N 2.85Å; I822-C826 WeakPolarHBondContact O-CB 3.28Å; I822-C826 PolarHBondContact O-N 2.81Å; I822-C826 PolarHBondContact O-SG 2.88Å; I822-V959 HydrophobicContact CD1-CG1 4.38Å; I822-V959 HydrophobicContact CG1-CG1 3.8Å; I822-I998 HydrophobicContact CB-CD1 4.23Å; I822-I998 HydrophobicContact CD1-CD1 3.58Å; I822-I998 HydrophobicContact CG1-CD1 4.4Å; I822-I998 HydrophobicContact CG2-CD1 3.47Å; I822-I998 VanDerWaalsContact CG2-CD1 3.47Å
823	E	73.1	Confident	67.3	Low	83 Å²	83	65.8 Å²	65.8	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-44.8	171.2	-75.9	169.5	148.8	0	0	110.7	K819 L825 C826 E827	K819-E823 VanDerWaalsContact CE-CD 3.49Å; K819-E823 WeakPolarHBondContact CE-OE1 3.49Å; K819-E823 HydrophobicContact CG-CG 4.32Å; K819-E823 IonicContact NZ-OE1 3.59Å; K819-E823 WeakPolarHBondContact O-CB 3.47Å; K819-E823 WeakPolarHBondContact O-CG 3.33Å; K819-E823 PolarHBondContact O-N 3.27Å; E823-L825 VanDerWaalsContact C-N 3.35Å; E823-L825 PolarHBondContact O-N 3.04Å; E823-C826 CarbonylContact O-C 3.47Å; E823-C826 WeakPolarHBondContact O-CB 3.32Å; E823-C826 PolarHBondContact O-N 2.92Å; E823-E827 WeakPolarHBondContact O-CB 3.18Å; E823-E827 WeakPolarHBondContact O-CG 3.3Å; E823-E827 PolarHBondContact O-N 3.41Å
824	K	72.4	Confident	64.3	Low	132 Å²	132	70.6 Å²	70.6	57%	0.574	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-34	171.4	-70.1	177.7	177.3	-170.9	0	113.4	K820 A821 I822 N828	K820-K824 WeakPolarHBondContact O-CG 3.36Å; K820-K824 PolarHBondContact O-N 2.79Å; A821-K824 WeakPolarHBondContact O-CB 3.44Å; A821-K824 PolarHBondContact O-N 3.3Å; I822-K824 VanDerWaalsContact C-N 3.32Å; I822-K824 PolarHBondContact O-N 2.72Å; K824-N828 WeakPolarHBondContact O-CB 3.33Å; K824-N828 VanDerWaalsContact O-CG 3.24Å; K824-N828 PolarHBondContact O-N 2.87Å; K824-N828 PolarHBondContact O-ND2 2.83Å; K824-N828 VanDerWaalsContact O-ND2 3.13Å
825	L	67.8	Low	61.1	Low	13 Å²	13	79.9 Å²	79.9	7%	0.068	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-42.6	172.5	-56.8	-162.8	0	0	0	111.1	L804 A821 I822 E823 N829 F956 V959	L804-L825 HydrophobicContact CD2-CD1 3.75Å; A821-L825 WeakPolarHBondContact O-CG 3.45Å; A821-L825 PolarHBondContact O-N 2.68Å; I822-L825 CarbonylContact O-C 3.57Å; I822-L825 WeakPolarHBondContact O-CA 3.46Å; I822-L825 WeakPolarHBondContact O-CB 3.46Å; I822-L825 PolarHBondContact O-N 2.85Å; E823-L825 VanDerWaalsContact C-N 3.35Å; E823-L825 PolarHBondContact O-N 3.04Å; L825-N829 WeakPolarHBondContact O-CB 3.44Å; L825-N829 PolarHBondContact O-N 3.25Å; L825-N829 VanDerWaalsContact O-N 3.12Å; L825-N829 PolarHBondContact O-ND2 3.45Å; L825-F956 HydrophobicContact CD1-CB 4.15Å; L825-F956 HydrophobicContact CD2-CB 3.61Å; L825-F956 HydrophobicContact CD2-CD1 3.96Å; L825-F956 HydrophobicContact CD2-CD2 3.18Å; L825-F956 HydrophobicContact CD2-CE1 4.44Å; L825-F956 HydrophobicContact CD2-CE2 3.76Å; L825-F956 HydrophobicContact CD2-CG 3.31Å; L825-F956 HydrophobicContact CD2-CZ 4.35Å; L825-V959 HydrophobicContact CD1-CG1 3.87Å
826	C	65.9	Low	58.2	Low	24 Å²	24	88.4 Å²	88.4	16%	0.162	45%	0.445	C	S	.	.	H	α-helix	trans	-64.1	-50.1	176.4	-67.8	0	0	0	0	109.9	I822 E823 N828 N829 C830 C995	I822-C826 WeakPolarHBondContact O-CB 3.28Å; I822-C826 PolarHBondContact O-N 2.81Å; I822-C826 PolarHBondContact O-SG 2.88Å; E823-C826 CarbonylContact O-C 3.47Å; E823-C826 WeakPolarHBondContact O-CB 3.32Å; E823-C826 PolarHBondContact O-N 2.92Å; C826-N828 PolarHBondContact O-N 3.17Å; C826-N829 CarbonylContact O-C 3.49Å; C826-N829 PolarHBondContact O-N 3.47Å; C826-N829 VanDerWaalsContact O-N 3.14Å; C826-C830 WeakPolarHBondContact O-CA 3.36Å; C826-C830 WeakPolarHBondContact O-CB 3.37Å; C826-C830 PolarHBondContact O-N 3.44Å; C826-C830 PolarHBondContact O-SG 3.47Å; C826-C830 VanDerWaalsContact O-SG 3.33Å; C826-C995 HydrophobicContact CB-CB 4.17Å; C826-C995 WeakPolarHBondContact CB-SG 3.2Å; C826-C995 WeakPolarHBondContact SG-CB 3.38Å; C826-C995 CovalentContact SG-SG 2.04Å; C826-C995 PolarHBondContact SG-SG 2.88Å
827	E	62	Low	55.4	Low	97 Å²	97	88.7 Å²	88.7	45%	0.453	45%	0.454	S	S	.	.	H	α-helix	trans	-53.3	-54.5	175.6	-74.3	166.2	-167.7	0	0	112	E823 N829 C830 Q831	E823-E827 WeakPolarHBondContact O-CB 3.18Å; E823-E827 WeakPolarHBondContact O-CG 3.3Å; E823-E827 PolarHBondContact O-N 3.41Å; E827-N829 PolarHBondContact O-N 3.31Å; E827-C830 CarbonylContact O-C 3.54Å; E827-C830 PolarHBondContact O-N 2.91Å; E827-Q831 VanDerWaalsContact O-CG 3.29Å; E827-Q831 WeakPolarHBondContact O-CG 3.47Å; E827-Q831 PolarHBondContact O-N 2.85Å
828	N	50.9	Low	52.9	Low	87 Å²	87	93.9 Å²	93.9	47%	0.465	47%	0.472	S	S	.	.	H	α-helix	trans	-62.2	-28.1	-179.4	-70.1	-28.1	0	0	0	113	K824 C826	K824-N828 WeakPolarHBondContact O-CB 3.33Å; K824-N828 VanDerWaalsContact O-CG 3.24Å; K824-N828 PolarHBondContact O-N 2.87Å; K824-N828 PolarHBondContact O-ND2 2.83Å; K824-N828 VanDerWaalsContact O-ND2 3.13Å; C826-N828 PolarHBondContact O-N 3.17Å
829	N	45.2	Very low	50.3	Low	81 Å²	81	100.8 Å²	100.8	43%	0.433	51%	0.508	S	S	.	.	H	α-helix	trans	-90.9	-12	174.9	-70.7	-52.6	0	0	0	114.1	L825 C826 E827	L825-N829 WeakPolarHBondContact O-CB 3.44Å; L825-N829 PolarHBondContact O-N 3.25Å; L825-N829 VanDerWaalsContact O-N 3.12Å; L825-N829 PolarHBondContact O-ND2 3.45Å; C826-N829 CarbonylContact O-C 3.49Å; C826-N829 PolarHBondContact O-N 3.47Å; C826-N829 VanDerWaalsContact O-N 3.14Å; E827-N829 PolarHBondContact O-N 3.31Å
830	C	37.3	Very low	47.7	Very low	29 Å²	29	104.2 Å²	104.2	20%	0.196	53%	0.529	C	S	.	.	H	α-helix	trans	-127.7	6.2	-171.2	-62.8	0	0	0	0	114.5	C826 E827 S832 T833 L834	C826-C830 WeakPolarHBondContact O-CA 3.36Å; C826-C830 WeakPolarHBondContact O-CB 3.37Å; C826-C830 PolarHBondContact O-N 3.44Å; C826-C830 PolarHBondContact O-SG 3.47Å; C826-C830 VanDerWaalsContact O-SG 3.33Å; E827-C830 CarbonylContact O-C 3.54Å; E827-C830 PolarHBondContact O-N 2.91Å; C830-S832 PolarHBondContact O-N 3.34Å; C830-S832 VanDerWaalsContact O-N 3.07Å; C830-T833 WeakPolarHBondContact CA-OG1 3.17Å; C830-T833 WeakPolarHBondContact CB-OG1 3.3Å; C830-T833 PolarHBondContact O-N 3.5Å; C830-T833 PolarHBondContact O-OG1 3.19Å; C830-L834 PolarHBondContact O-N 3.38Å
831	Q	31.7	Very low	45.2	Very low	143 Å²	143	102.8 Å²	102.8	67%	0.668	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.8	170	-88.1	171.4	23.9	0	0	113.7	E827	E827-Q831 VanDerWaalsContact O-CG 3.29Å; E827-Q831 WeakPolarHBondContact O-CG 3.47Å; E827-Q831 PolarHBondContact O-N 2.85Å
832	S	32.6	Very low	42.8	Very low	62 Å²	62	106.7 Å²	106.7	43%	0.434	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.9	166.7	52.8	0	0	0	0	114.9	C830 Y866	C830-S832 PolarHBondContact O-N 3.34Å; C830-S832 VanDerWaalsContact O-N 3.07Å; S832-Y866 WeakPolarHBondContact CB-OH 3.48Å
833	T	31.8	Very low	40.4	Very low	84 Å²	84	112.9 Å²	112.9	52%	0.515	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.3	-5.5	-172.7	35.5	0	0	0	0	115.2	C830 K835	C830-T833 WeakPolarHBondContact CA-OG1 3.17Å; C830-T833 WeakPolarHBondContact CB-OG1 3.3Å; C830-T833 PolarHBondContact O-N 3.5Å; C830-T833 PolarHBondContact O-OG1 3.19Å; T833-K835 PolarHBondContact O-N 2.86Å
834	L	30.5	Very low	38.2	Very low	142 Å²	142	111.9 Å²	111.9	74%	0.743	60%	0.601	S	S	*	*			trans	-98.4	65.3	174.3	-72.2	171	0	0	0	112.1	C830	C830-L834 PolarHBondContact O-N 3.38Å
835	K	27.5	Very low	36.1	Very low	198 Å²	198	116.8 Å²	116.8	86%	0.861	62%	0.618	S	S	*	*			trans	-112.8	116.6	147	-79.8	-176.1	177.8	176.5	0	106.6	T833	T833-K835 PolarHBondContact O-N 2.86Å
836	E	29.3	Very low	34	Very low	180 Å²	180	123.4 Å²	123.4	84%	0.841	65%	0.652	S	S	*	*			trans	-56.9	135.6	177.1	-60.7	172.5	138.2	0	0	110	K838	E836-K838 PolarHBondContact O-N 3.1Å
837	P	28.6	Very low	32.2	Very low	114 Å²	114	129.7 Å²	129.7	74%	0.74	68%	0.679	S	S	*	*			trans	-66.7	106.3	163.1	29.1	-30.6	0	0	0	107	L839	P837-L839 PolarHBondContact O-N 3.42Å
838	K	28.7	Very low	30.5	Very low	192 Å²	192	131.3 Å²	131.3	84%	0.835	69%	0.691	S	S	*	*			trans	-53.4	116.3	168.9	-72.9	-173.1	172.4	-168.9	0	107.9	E836 I840	E836-K838 PolarHBondContact O-N 3.1Å; K838-I840 PolarHBondContact O-N 3.49Å; K838-I840 VanDerWaalsContact O-N 3.14Å
839	L	28	Very low	29.4	Very low	150 Å²	150	136.4 Å²	136.4	79%	0.785	71%	0.709	S	S	*	*			trans	-61.8	119.6	169.6	-82.9	85.8	0	0	0	108	P837 N841	P837-L839 PolarHBondContact O-N 3.42Å; L839-N841 PolarHBondContact O-N 3.11Å
840	I	28.1	Very low	28.5	Very low	158 Å²	158	138.5 Å²	138.5	81%	0.81	73%	0.727	S	S	*	*			trans	-80.9	111	163.5	-63.2	176.2	0	0	0	105.1	K838 T842	K838-I840 PolarHBondContact O-N 3.49Å; K838-I840 VanDerWaalsContact O-N 3.14Å; I840-T842 PolarHBondContact O-N 2.8Å
841	N	24.2	Very low	28	Very low	138 Å²	138	141.8 Å²	141.8	74%	0.738	74%	0.739	S	S	*	*			trans	-72.4	118.7	-178.9	-70.7	-15.9	0	0	0	110.4	L839	L839-N841 PolarHBondContact O-N 3.11Å
842	T	26.9	Very low	27.7	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	74%	0.743	S	S	*	*			trans	-123.3	107.2	157.3	42.5	0	0	0	0	108.4	I840	I840-T842 PolarHBondContact O-N 2.8Å
843	P	25.8	Very low	27.3	Very low	135 Å²	135	142.6 Å²	142.6	88%	0.877	76%	0.755	S	S	*	*			trans	-80.8	136.4	-176.9	31.8	-33.4	0	0	0	111.6
844	G	25.9	Very low	27	Very low	62 Å²	62	145.4 Å²	145.4	64%	0.639	77%	0.766	S	S	*	*			trans	165.3	139.8	172.1	0	0	0	0	0	113.1
845	Y	28.4	Very low	26.9	Very low	235 Å²	235	145.7 Å²	145.7	92%	0.922	76%	0.763	S	S	*	*			trans	62.7	82.4	169.8	-61.5	-79.5	0	0	0	117.8
846	L	25.2	Very low	27	Very low	152 Å²	152	141.7 Å²	141.7	80%	0.796	75%	0.75	S	S	*	*			trans	-69.6	134.3	146.2	-68.6	88.3	0	0	0	109.4
847	H	28.1	Very low	26.9	Very low	156 Å²	156	141.4 Å²	141.4	72%	0.722	75%	0.747	S	S	*	*				171	152.6	103.9	-109	-82.3	0	0	0	113.9
848	N	26.4	Very low	26.9	Very low	131 Å²	131	140.7 Å²	140.7	70%	0.701	74%	0.737	S	S	*	*			trans	63.7	82.2	151.1	-58.5	-14.8	0	0	0	120.5
849	K	27.8	Very low	27.1	Very low	194 Å²	194	135.3 Å²	135.3	84%	0.843	72%	0.716	S	S	*	*				171.8	128.4	118.9	-94.4	161	-175.6	174.4	0	113	H851	K849-H851 PolarHBondContact O-N 2.75Å
850	P	25.9	Very low	27.2	Very low	125 Å²	125	134.6 Å²	134.6	81%	0.812	71%	0.709	S	S	*	*			trans	-95.7	82.3	179.7	36.3	-33	0	0	0	112.9
851	H	26.2	Very low	27.2	Very low	99 Å²	99	134.7 Å²	134.7	46%	0.458	70%	0.703	S	S	.	*			trans	-138.1	110.6	177.5	-89	-73.7	0	0	0	116	K849 S853	K849-H851 PolarHBondContact O-N 2.75Å; H851-S853 PolarHBondContact O-N 2.86Å
852	T	24.8	Very low	27.6	Very low	123 Å²	123	131.4 Å²	131.4	76%	0.755	69%	0.691	S	S	*	*			trans	35.4	73	133.7	55.4	0	0	0	0	118.2
853	S	24.1	Very low	28	Very low	98 Å²	98	130.6 Å²	130.6	69%	0.685	67%	0.674	S	S	*	*			trans	-162.7	160.5	155.2	55.7	0	0	0	0	112.6	H851	H851-S853 PolarHBondContact O-N 2.86Å
854	I	26.6	Very low	28.3	Very low	143 Å²	143	128.2 Å²	128.2	73%	0.733	65%	0.653	S	S	*	*			trans	58.2	103.1	161.1	-55.8	147.2	0	0	0	117.5
855	H	27.7	Very low	28.6	Very low	149 Å²	149	131.1 Å²	131.1	69%	0.69	65%	0.65	S	S	*	*	S	Bend	trans	-161.8	-24.6	134.6	-122	-75.1	0	0	0	114	F857	H855-F857 VanDerWaalsContact C-N 3.28Å; H855-F857 PolarHBondContact O-N 3.16Å; H855-F857 VanDerWaalsContact O-N 3.17Å
856	L	30.3	Very low	28.8	Very low	113 Å²	113	125.1 Å²	125.1	59%	0.592	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-32.2	-176.8	-79.8	156.1	0	0	0	115.1	N858 L992	L856-N858 VanDerWaalsContact C-N 3.33Å; L856-N858 PolarHBondContact O-N 3.12Å; L856-L992 HydrophobicContact CD2-CD2 4.44Å
857	F	27.1	Very low	29.3	Very low	174 Å²	174	122.9 Å²	122.9	76%	0.763	62%	0.615	S	S	*	*	H	α-helix	trans	-72.6	-18.5	-169.4	-125.8	-96.4	0	0	0	115.3	L116 H855	L116-F857 HydrophobicContact CD2-CZ 4.39Å; H855-F857 VanDerWaalsContact C-N 3.28Å; H855-F857 PolarHBondContact O-N 3.16Å; H855-F857 VanDerWaalsContact O-N 3.17Å
858	N	29	Very low	29.6	Very low	99 Å²	99	118.6 Å²	118.6	53%	0.529	60%	0.597	S	S	.	*	H	α-helix	trans	-89.2	-21.5	-175.8	-77.5	-24.8	0	0	0	114.2	L856 K861 S862	L856-N858 VanDerWaalsContact C-N 3.33Å; L856-N858 PolarHBondContact O-N 3.12Å; N858-K861 PolarHBondContact O-N 3.14Å; N858-S862 PolarHBondContact O-N 2.92Å; N858-S862 PolarHBondContact O-OG 2.9Å
859	I	31.6	Very low	30	Very low	79 Å²	79	115.6 Å²	115.6	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-71.2	-37.1	-173.5	-60.5	173.9	0	0	0	112	S862 R863	I859-S862 PolarHBondContact O-OG 3.45Å; I859-S862 VanDerWaalsContact O-OG 3.08Å; I859-R863 PolarHBondContact O-N 3.45Å; I859-R863 VanDerWaalsContact O-N 3.1Å
860	H	30.4	Very low	30.4	Very low	136 Å²	136	109 Å²	109	63%	0.63	56%	0.56	S	S	*	*	H	α-helix	trans	-69.4	-38.2	173.8	-96.1	-81.7	0	0	0	112.4	L864	H860-L864 WeakPolarHBondContact O-CB 3.2Å; H860-L864 PolarHBondContact O-N 2.78Å; H860-L864 VanDerWaalsContact O-N 3.12Å
861	K	29.1	Very low	30.8	Very low	159 Å²	159	105.7 Å²	105.7	69%	0.691	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-43.4	178.1	-138.2	176.7	-173.7	-178.5	0	110.5	N858 H865	N858-K861 PolarHBondContact O-N 3.14Å; K861-H865 WeakPolarHBondContact O-CB 3.35Å; K861-H865 PolarHBondContact O-N 3.29Å
862	S	32.3	Very low	31.2	Very low	69 Å²	69	108 Å²	108	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-70.4	-40.9	178.5	63.2	0	0	0	0	113.7	N858 I859 H865 Y866	N858-S862 PolarHBondContact O-N 2.92Å; N858-S862 PolarHBondContact O-OG 2.9Å; I859-S862 PolarHBondContact O-OG 3.45Å; I859-S862 VanDerWaalsContact O-OG 3.08Å; S862-H865 PolarHBondContact O-N 2.59Å; S862-Y866 VanDerWaalsContact O-CB 3.25Å; S862-Y866 WeakPolarHBondContact O-CB 3.14Å; S862-Y866 PolarHBondContact O-N 3.23Å
863	R	34.7	Very low	31.8	Very low	112 Å²	112	106.2 Å²	106.2	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-62.7	-43.9	174.9	-82.6	-175.9	171	144.9	3.7	112.5	I859 Y866 N867 D993	I859-R863 PolarHBondContact O-N 3.45Å; I859-R863 VanDerWaalsContact O-N 3.1Å; R863-Y866 PolarHBondContact O-N 3.32Å; R863-N867 PolarHBondContact O-N 2.84Å; R863-N867 VanDerWaalsContact O-N 3.11Å; R863-D993 IonicContact CZ-OD2 3.73Å; R863-D993 IonicContact NH1-OD2 3.21Å; R863-D993 PolarHBondContact NH1-OD2 2.95Å; R863-D993 VanDerWaalsContact NH1-OD2 3.12Å; R863-D993 IonicContact NH2-OD2 2.9Å; R863-D993 PolarHBondContact NH2-OD2 2.75Å
864	L	33.1	Very low	32.5	Very low	85 Å²	85	104.4 Å²	104.4	45%	0.445	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-45.4	174.8	-91	160.7	0	0	0	111.9	H860 Y866 N867 L868	H860-L864 WeakPolarHBondContact O-CB 3.2Å; H860-L864 PolarHBondContact O-N 2.78Å; H860-L864 VanDerWaalsContact O-N 3.12Å; L864-Y866 VanDerWaalsContact C-N 3.31Å; L864-Y866 PolarHBondContact O-N 3.21Å; L864-N867 PolarHBondContact O-N 2.94Å; L864-L868 WeakPolarHBondContact O-CB 3.45Å; L864-L868 WeakPolarHBondContact O-CG 3.28Å; L864-L868 PolarHBondContact O-N 3.31Å
865	H	32	Very low	32.9	Very low	122 Å²	122	102.2 Å²	102.2	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-65.3	-34.5	178.1	-158.8	-32.7	0	0	0	111.9	K861 S862 L868 T869	K861-H865 WeakPolarHBondContact O-CB 3.35Å; K861-H865 PolarHBondContact O-N 3.29Å; S862-H865 PolarHBondContact O-N 2.59Å; H865-L868 PolarHBondContact O-N 2.62Å; H865-T869 PolarHBondContact CE1-OG1 3.44Å; H865-T869 PolarHBondContact ND1-OG1 2.95Å; H865-T869 VanDerWaalsContact ND1-OG1 3.07Å; H865-T869 VanDerWaalsContact O-CB 3.3Å; H865-T869 WeakPolarHBondContact O-CB 3.38Å; H865-T869 PolarHBondContact O-N 3.05Å; H865-T869 PolarHBondContact O-OG1 3.12Å
866	Y	32.7	Very low	33.2	Very low	110 Å²	110	105.7 Å²	105.7	43%	0.431	52%	0.52	S	S	.	.	H	α-helix	trans	-65.5	-44.8	174.7	-177.1	-93.9	0	0	0	111.9	S832 S862 R863 L864 L868 T869 T870	S832-Y866 WeakPolarHBondContact CB-OH 3.48Å; S862-Y866 VanDerWaalsContact O-CB 3.25Å; S862-Y866 WeakPolarHBondContact O-CB 3.14Å; S862-Y866 PolarHBondContact O-N 3.23Å; R863-Y866 PolarHBondContact O-N 3.32Å; L864-Y866 VanDerWaalsContact C-N 3.31Å; L864-Y866 PolarHBondContact O-N 3.21Å; Y866-L868 VanDerWaalsContact C-N 3.35Å; Y866-L868 PolarHBondContact O-N 3.34Å; Y866-T869 PolarHBondContact O-N 3.31Å; Y866-T870 WeakPolarHBondContact O-CB 3.46Å; Y866-T870 PolarHBondContact O-N 3.38Å; Y866-T870 PolarHBondContact O-OG1 3.35Å
867	N	35.6	Very low	33.5	Very low	104 Å²	104	103.5 Å²	103.5	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-63.9	-39.8	175.1	-76.6	-6.9	0	0	0	111.7	R863 L864 T870 M871	R863-N867 PolarHBondContact O-N 2.84Å; R863-N867 VanDerWaalsContact O-N 3.11Å; L864-N867 PolarHBondContact O-N 2.94Å; N867-T870 PolarHBondContact O-N 2.9Å; N867-M871 WeakPolarHBondContact O-CG 3.49Å; N867-M871 PolarHBondContact O-N 2.88Å
868	L	34.5	Very low	34.1	Very low	67 Å²	67	99.8 Å²	99.8	35%	0.351	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-39.5	174.2	-73.7	164.7	0	0	0	112.7	L864 H865 Y866 M871 K872	L864-L868 WeakPolarHBondContact O-CB 3.45Å; L864-L868 WeakPolarHBondContact O-CG 3.28Å; L864-L868 PolarHBondContact O-N 3.31Å; H865-L868 PolarHBondContact O-N 2.62Å; Y866-L868 VanDerWaalsContact C-N 3.35Å; Y866-L868 PolarHBondContact O-N 3.34Å; L868-M871 PolarHBondContact O-N 2.89Å; L868-K872 WeakPolarHBondContact O-CG 3.27Å; L868-K872 PolarHBondContact O-N 3.37Å
869	T	35	Very low	34.5	Very low	68 Å²	68	102.2 Å²	102.2	42%	0.417	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-34	174.9	-62.3	0	0	0	0	111.2	H865 Y866 K872 S873	H865-T869 PolarHBondContact CE1-OG1 3.44Å; H865-T869 PolarHBondContact ND1-OG1 2.95Å; H865-T869 VanDerWaalsContact ND1-OG1 3.07Å; H865-T869 VanDerWaalsContact O-CB 3.3Å; H865-T869 WeakPolarHBondContact O-CB 3.38Å; H865-T869 PolarHBondContact O-N 3.05Å; H865-T869 PolarHBondContact O-OG1 3.12Å; Y866-T869 PolarHBondContact O-N 3.31Å; T869-K872 CarbonylContact O-C 3.56Å; T869-K872 PolarHBondContact O-N 3.27Å; T869-S873 PolarHBondContact O-N 3.3Å
870	T	36.4	Very low	34.9	Very low	56 Å²	56	102.5 Å²	102.5	34%	0.344	51%	0.507	S	S	.	.	H	α-helix	trans	-66.3	-45.1	172.7	-53.6	0	0	0	0	110.4	Y866 N867 K872 S873 S874	Y866-T870 WeakPolarHBondContact O-CB 3.46Å; Y866-T870 PolarHBondContact O-N 3.38Å; Y866-T870 PolarHBondContact O-OG1 3.35Å; N867-T870 PolarHBondContact O-N 2.9Å; T870-K872 VanDerWaalsContact C-N 3.29Å; T870-K872 PolarHBondContact O-N 2.84Å; T870-S873 PolarHBondContact O-N 3.39Å; T870-S873 PolarHBondContact O-OG 3.25Å; T870-S874 PolarHBondContact O-N 3.35Å; T870-S874 PolarHBondContact O-OG 3.01Å
871	M	34.6	Very low	35.2	Very low	55 Å²	55	100.1 Å²	100.1	27%	0.271	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-37.4	170.8	-77.5	-177.8	163.9	0	0	112.6	N867 L868 S874 F884 F945	N867-M871 WeakPolarHBondContact O-CG 3.49Å; N867-M871 PolarHBondContact O-N 2.88Å; L868-M871 PolarHBondContact O-N 2.89Å; M871-S874 WeakPolarHBondContact CA-OG 3.46Å; M871-S874 PolarHBondContact O-N 2.94Å; M871-S874 PolarHBondContact O-OG 3.36Å; M871-F884 HydrophobicContact CB-CZ 4.43Å; M871-F945 HydrophobicContact CE-CD1 4.29Å; M871-F945 HydrophobicContact CE-CE1 4.28Å
872	K	32.8	Very low	35.8	Very low	146 Å²	146	98.2 Å²	98.2	64%	0.635	50%	0.495	S	S	*	.	H	α-helix	trans	-68	-30.8	171.7	-75.7	-177.2	173.9	-171	0	113.2	L868 T869 T870 S874 I875	L868-K872 WeakPolarHBondContact O-CG 3.27Å; L868-K872 PolarHBondContact O-N 3.37Å; T869-K872 CarbonylContact O-C 3.56Å; T869-K872 PolarHBondContact O-N 3.27Å; T870-K872 VanDerWaalsContact C-N 3.29Å; T870-K872 PolarHBondContact O-N 2.84Å; K872-S874 VanDerWaalsContact C-N 3.33Å; K872-I875 HydrophobicContact CB-CD1 4.08Å; K872-I875 HydrophobicContact CG-CD1 4.13Å; K872-I875 VanDerWaalsContact O-CB 3.27Å; K872-I875 WeakPolarHBondContact O-CB 3.23Å; K872-I875 WeakPolarHBondContact O-CD1 3.47Å; K872-I875 VanDerWaalsContact O-CG1 3.22Å; K872-I875 WeakPolarHBondContact O-CG1 3.39Å; K872-I875 PolarHBondContact O-N 2.99Å
873	S	37.8	Very low	36	Very low	86 Å²	86	97.8 Å²	97.8	60%	0.601	49%	0.487	S	S	*	.	H	α-helix	trans	-71.7	-27.1	175.8	72.3	0	0	0	0	112.9	T869 T870 I875	T869-S873 PolarHBondContact O-N 3.3Å; T870-S873 PolarHBondContact O-N 3.39Å; T870-S873 PolarHBondContact O-OG 3.25Å; S873-I875 PolarHBondContact O-N 2.59Å
874	S	39.7	Very low	36.1	Very low	60 Å²	60	96.7 Å²	96.7	42%	0.42	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-79.8	10.3	173.6	46.2	0	0	0	0	115.1	T870 M871 K872 Y876	T870-S874 PolarHBondContact O-N 3.35Å; T870-S874 PolarHBondContact O-OG 3.01Å; M871-S874 WeakPolarHBondContact CA-OG 3.46Å; M871-S874 PolarHBondContact O-N 2.94Å; M871-S874 PolarHBondContact O-OG 3.36Å; K872-S874 VanDerWaalsContact C-N 3.33Å; S874-Y876 PolarHBondContact O-N 2.74Å
875	I	34.6	Very low	36.4	Very low	97 Å²	97	99.5 Å²	99.5	50%	0.497	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-64.4	-20.6	-174.8	-82.6	175.4	0	0	0	114.3	K872 S873 N877	K872-I875 HydrophobicContact CB-CD1 4.08Å; K872-I875 HydrophobicContact CG-CD1 4.13Å; K872-I875 VanDerWaalsContact O-CB 3.27Å; K872-I875 WeakPolarHBondContact O-CB 3.23Å; K872-I875 WeakPolarHBondContact O-CD1 3.47Å; K872-I875 VanDerWaalsContact O-CG1 3.22Å; K872-I875 WeakPolarHBondContact O-CG1 3.39Å; K872-I875 PolarHBondContact O-N 2.99Å; S873-I875 PolarHBondContact O-N 2.59Å; I875-N877 PolarHBondContact O-N 2.62Å; I875-N877 VanDerWaalsContact O-N 3.15Å
876	Y	35	Very low	37	Very low	222 Å²	222	95.7 Å²	95.7	87%	0.871	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-73	0.9	-177.1	-83.7	-81.4	0	0	0	116.1	S874	S874-Y876 PolarHBondContact O-N 2.74Å
877	N	36.4	Very low	37.4	Very low	67 Å²	67	94.1 Å²	94.1	36%	0.358	48%	0.475	S	S	.	.			trans	-97.3	115.4	174.8	-177.4	-33.3	0	0	0	111.2	I875 Q879 Y880	I875-N877 PolarHBondContact O-N 2.62Å; I875-N877 VanDerWaalsContact O-N 3.15Å; N877-Q879 PolarHBondContact O-N 3.42Å; N877-Q879 VanDerWaalsContact O-N 3.08Å; N877-Q879 WeakPolarHBondContact OD1-CB 3.35Å; N877-Q879 PolarHBondContact OD1-N 3.03Å; N877-Y880 HydrophobicContact CB-CD2 3.85Å; N877-Y880 HydrophobicContact CB-CE2 4.16Å; N877-Y880 PolarHBondContact O-N 3.41Å
878	P	38.3	Very low	37.6	Very low	96 Å²	96	91.7 Å²	91.7	62%	0.623	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.4	-175.1	-28.4	35.8	0	0	0	115.5	Y880 I881	P878-Y880 PolarHBondContact O-N 2.99Å; P878-Y880 VanDerWaalsContact O-N 3.14Å; P878-I881 PolarHBondContact O-N 3.19Å
879	Q	38.6	Very low	38.1	Very low	150 Å²	150	92.6 Å²	92.6	70%	0.701	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.7	-175.6	-63.1	-180	-12.7	0	0	113	N877	N877-Q879 PolarHBondContact O-N 3.42Å; N877-Q879 VanDerWaalsContact O-N 3.08Å; N877-Q879 WeakPolarHBondContact OD1-CB 3.35Å; N877-Q879 PolarHBondContact OD1-N 3.03Å
880	Y	38.5	Very low	38.2	Very low	85 Å²	85	90.6 Å²	90.6	33%	0.333	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-96.8	-11.8	-177.1	-58.7	-82.5	0	0	0	114.1	N877 P878 N882 L883 F884 F945	N877-Y880 HydrophobicContact CB-CD2 3.85Å; N877-Y880 HydrophobicContact CB-CE2 4.16Å; N877-Y880 PolarHBondContact O-N 3.41Å; P878-Y880 PolarHBondContact O-N 2.99Å; P878-Y880 VanDerWaalsContact O-N 3.14Å; Y880-N882 VanDerWaalsContact C-N 3.32Å; Y880-N882 PolarHBondContact O-N 3.24Å; Y880-L883 HydrophobicContact CD1-CD1 4Å; Y880-L883 WeakPolarHBondContact O-CB 3.31Å; Y880-L883 PolarHBondContact O-N 3.42Å; Y880-L883 VanDerWaalsContact O-N 3.17Å; Y880-F884 PolarHBondContact O-N 2.78Å; Y880-F884 VanDerWaalsContact O-N 3.1Å; Y880-F945 HydrophobicContact CD1-CE2 4.47Å; Y880-F945 AromaticContact CE1-CD2 3.97Å; Y880-F945 HydrophobicContact CE1-CD2 3.97Å; Y880-F945 AromaticContact CE1-CE2 3.73Å; Y880-F945 HydrophobicContact CE1-CE2 3.73Å
881	I	37.5	Very low	38.4	Very low	86 Å²	86	91.7 Å²	91.7	44%	0.441	47%	0.468	S	S	.	.	H	α-helix	trans	-62.3	-40.7	-177.4	-61.7	179.1	0	0	0	110.9	P878 F884 K885	P878-I881 PolarHBondContact O-N 3.19Å; I881-F884 PolarHBondContact O-N 3.44Å; I881-K885 PolarHBondContact O-N 3.33Å; I881-K885 VanDerWaalsContact O-N 3.1Å
882	N	42.4	Very low	38.8	Very low	119 Å²	119	96.4 Å²	96.4	64%	0.636	49%	0.487	S	S	*	.	H	α-helix	trans	-70.2	-30.7	177.8	-71.4	-25.1	0	0	0	113.1	Y880	Y880-N882 VanDerWaalsContact C-N 3.32Å; Y880-N882 PolarHBondContact O-N 3.24Å
883	L	36.4	Very low	39.2	Very low	60 Å²	60	93.5 Å²	93.5	31%	0.314	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-43.4	171.3	-80.6	161.9	0	0	0	110.9	Y880 S886 W887 F938 T941	Y880-L883 HydrophobicContact CD1-CD1 4Å; Y880-L883 WeakPolarHBondContact O-CB 3.31Å; Y880-L883 PolarHBondContact O-N 3.42Å; Y880-L883 VanDerWaalsContact O-N 3.17Å; L883-S886 PolarHBondContact O-N 2.75Å; L883-S886 PolarHBondContact O-OG 3.43Å; L883-W887 PolarHBondContact O-N 3.05Å; L883-F938 HydrophobicContact CD2-CD2 3.93Å; L883-F938 HydrophobicContact CD2-CE2 3.82Å; L883-T941 HydrophobicContact CD2-CG2 4.42Å
884	F	36	Very low	39.3	Very low	90 Å²	90	91.2 Å²	91.2	40%	0.395	46%	0.462	S	S	.	.	H	α-helix	trans	-72.4	-26.6	-179.5	-86.9	-76.5	0	0	0	114.6	M871 Y880 I881 S886 W887	M871-F884 HydrophobicContact CB-CZ 4.43Å; Y880-F884 PolarHBondContact O-N 2.78Å; Y880-F884 VanDerWaalsContact O-N 3.1Å; I881-F884 PolarHBondContact O-N 3.44Å; F884-S886 VanDerWaalsContact C-N 3.28Å; F884-S886 PolarHBondContact O-N 2.76Å; F884-W887 HydrophobicContact CD1-CB 4.08Å; F884-W887 HydrophobicContact CD1-CG 4.29Å; F884-W887 HydrophobicContact CE1-CD2 4.34Å; F884-W887 HydrophobicContact CE1-CE3 4.28Å; F884-W887 HydrophobicContact CE1-CG 4.5Å; F884-W887 VanDerWaalsContact O-CB 3.3Å; F884-W887 WeakPolarHBondContact O-CB 3.2Å; F884-W887 PolarHBondContact O-N 3.45Å
885	K	40	Very low	39.7	Very low	143 Å²	143	92.7 Å²	92.7	62%	0.622	47%	0.465	S	S	*	.	H	α-helix	trans	-55.5	-44.4	167.3	-76.5	-177.4	175.9	178.2	0	111.3	I881 W887 S888	I881-K885 PolarHBondContact O-N 3.33Å; I881-K885 VanDerWaalsContact O-N 3.1Å; K885-W887 PolarHBondContact O-N 2.78Å; K885-S888 WeakPolarHBondContact O-CB 3.16Å; K885-S888 PolarHBondContact O-N 2.78Å
886	S	43.4	Very low	39.7	Very low	42 Å²	42	94.6 Å²	94.6	29%	0.294	47%	0.467	S	S	.	.	H	α-helix	trans	-68.9	-18.4	176.7	76.1	0	0	0	0	114.6	L883 F884 D889 L890 F938	L883-S886 PolarHBondContact O-N 2.75Å; L883-S886 PolarHBondContact O-OG 3.43Å; F884-S886 VanDerWaalsContact C-N 3.28Å; F884-S886 PolarHBondContact O-N 2.76Å; S886-D889 PolarHBondContact O-N 3.14Å; S886-L890 PolarHBondContact O-N 3.33Å; S886-L890 VanDerWaalsContact O-N 3.1Å; S886-F938 VanDerWaalsContact OG-CE2 3.27Å; S886-F938 WeakPolarHBondContact OG-CE2 3.32Å
887	W	41.6	Very low	39.9	Very low	78 Å²	78	88 Å²	88	30%	0.295	45%	0.452	S	S	.	.	H	α-helix	trans	-70.2	-33.3	177.5	-166.7	-70.5	0	0	0	112.3	L883 F884 K885 D889 S891 F938 I942	L883-W887 PolarHBondContact O-N 3.05Å; F884-W887 HydrophobicContact CD1-CB 4.08Å; F884-W887 HydrophobicContact CD1-CG 4.29Å; F884-W887 HydrophobicContact CE1-CD2 4.34Å; F884-W887 HydrophobicContact CE1-CE3 4.28Å; F884-W887 HydrophobicContact CE1-CG 4.5Å; F884-W887 VanDerWaalsContact O-CB 3.3Å; F884-W887 WeakPolarHBondContact O-CB 3.2Å; F884-W887 PolarHBondContact O-N 3.45Å; K885-W887 PolarHBondContact O-N 2.78Å; W887-D889 VanDerWaalsContact C-N 3.25Å; W887-D889 PolarHBondContact O-N 3.47Å; W887-S891 WeakPolarHBondContact O-CB 3.4Å; W887-S891 PolarHBondContact O-N 3.11Å; W887-F938 HydrophobicContact CE3-CE1 4.2Å; W887-F938 AromaticContact CE3-CZ 3.86Å; W887-F938 HydrophobicContact CE3-CZ 3.86Å; W887-F938 HydrophobicContact CZ3-CE1 4.48Å; W887-F938 HydrophobicContact CZ3-CZ 4.44Å; W887-I942 HydrophobicContact CE3-CD1 4.4Å; W887-I942 HydrophobicContact CH2-CD1 4.41Å; W887-I942 HydrophobicContact CZ3-CD1 3.65Å
888	S	39.9	Very low	40.3	Very low	52 Å²	52	89 Å²	89	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-48.7	-51	170.3	159	0	0	0	0	110.7	K885 S891 K892	K885-S888 WeakPolarHBondContact O-CB 3.16Å; K885-S888 PolarHBondContact O-N 2.78Å; S888-S891 PolarHBondContact O-N 3.39Å; S888-S891 PolarHBondContact O-OG 3.13Å; S888-K892 PolarHBondContact OG-NZ 3.1Å
889	D	45	Very low	40.4	Very low	87 Å²	87	86.5 Å²	86.5	47%	0.465	44%	0.435	S	S	.	.	H	α-helix	trans	-90.8	-21.6	-166.1	-49.8	-34.1	0	0	0	111.9	S886 W887 K892 T893	S886-D889 PolarHBondContact O-N 3.14Å; W887-D889 VanDerWaalsContact C-N 3.25Å; W887-D889 PolarHBondContact O-N 3.47Å; D889-K892 IonicContact OD1-NZ 3.28Å; D889-K892 PolarHBondContact OD1-NZ 3Å; D889-T893 WeakPolarHBondContact O-CG2 3.07Å; D889-T893 PolarHBondContact O-N 3.08Å; D889-T893 PolarHBondContact O-OG1 3.28Å
890	L	37.1	Very low	40.6	Very low	26 Å²	26	82.8 Å²	82.8	14%	0.136	42%	0.423	C	S	.	.	H	α-helix	trans	-68.5	-38.9	163.8	-103.1	79.7	0	0	0	112.6	S886 K892 T893 I894 F938	S886-L890 PolarHBondContact O-N 3.33Å; S886-L890 VanDerWaalsContact O-N 3.1Å; L890-K892 PolarHBondContact O-N 2.85Å; L890-T893 CarbonylContact O-C 3.52Å; L890-T893 PolarHBondContact O-N 3.35Å; L890-I894 HydrophobicContact CD2-CD1 3.72Å; L890-I894 HydrophobicContact CG-CD1 3.92Å; L890-I894 HydrophobicContact CG-CG1 4.45Å; L890-I894 PolarHBondContact O-N 3.05Å; L890-F938 HydrophobicContact CD2-CD1 3.5Å; L890-F938 HydrophobicContact CD2-CE1 3.55Å; L890-F938 HydrophobicContact CD2-CG 4.5Å
891	S	40	Very low	40.9	Very low	78 Å²	78	84.9 Å²	84.9	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-26.5	-179.7	75	0	0	0	0	113.1	W887 S888	W887-S891 WeakPolarHBondContact O-CB 3.4Å; W887-S891 PolarHBondContact O-N 3.11Å; S888-S891 PolarHBondContact O-N 3.39Å; S888-S891 PolarHBondContact O-OG 3.13Å
892	K	43.1	Very low	41.2	Very low	154 Å²	154	83.4 Å²	83.4	67%	0.67	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-16.2	172.6	-61.5	167.5	-168.4	159.7	0	113.8	S888 D889 L890	S888-K892 PolarHBondContact OG-NZ 3.1Å; D889-K892 IonicContact OD1-NZ 3.28Å; D889-K892 PolarHBondContact OD1-NZ 3Å; L890-K892 PolarHBondContact O-N 2.85Å
893	T	41.2	Very low	41.2	Very low	86 Å²	86	81.2 Å²	81.2	53%	0.528	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	6	-170.2	64	0	0	0	0	115.4	D889 L890 K935	D889-T893 WeakPolarHBondContact O-CG2 3.07Å; D889-T893 PolarHBondContact O-N 3.08Å; D889-T893 PolarHBondContact O-OG1 3.28Å; L890-T893 CarbonylContact O-C 3.52Å; L890-T893 PolarHBondContact O-N 3.35Å; T893-K935 PolarHBondContact OG1-NZ 2.83Å
894	I	41.4	Very low	41.5	Very low	37 Å²	37	82.6 Å²	82.6	19%	0.19	43%	0.425	C	S	.	.	S	Bend	trans	-138	118.9	171.8	-51.7	-176.1	0	0	0	109.8	L890 Y896 L899 K935	L890-I894 HydrophobicContact CD2-CD1 3.72Å; L890-I894 HydrophobicContact CG-CD1 3.92Å; L890-I894 HydrophobicContact CG-CG1 4.45Å; L890-I894 PolarHBondContact O-N 3.05Å; I894-Y896 PolarHBondContact O-N 3.31Å; I894-L899 HydrophobicContact CB-CD1 4.26Å; I894-L899 HydrophobicContact CD1-CD1 4.47Å; I894-L899 HydrophobicContact CG2-CB 4.07Å; I894-L899 HydrophobicContact CG2-CD1 4.04Å; I894-L899 HydrophobicContact CG2-CG 4.32Å; I894-K935 HydrophobicContact CD1-CD 4.09Å
895	D	46.3	Very low	41.6	Very low	91 Å²	91	80.2 Å²	80.2	49%	0.487	42%	0.416	S	S	.	.			trans	-57.2	120.1	175.6	-179.4	30.5	0	0	0	111.9	P897 Q898 L899	D895-P897 VanDerWaalsContact C-CD 3.42Å; D895-P897 WeakPolarHBondContact OD1-CD 3.46Å; D895-Q898 HydrophobicContact CB-CB 4.49Å; D895-Q898 HydrophobicContact CB-CG 4Å; D895-Q898 WeakPolarHBondContact O-CB 3.32Å; D895-Q898 PolarHBondContact O-N 3.29Å; D895-Q898 WeakPolarHBondContact OD2-CG 3.35Å; D895-Q898 PolarHBondContact OD2-NE2 2.95Å; D895-L899 PolarHBondContact O-N 2.82Å
896	Y	36.6	Very low	41.4	Very low	138 Å²	138	77.3 Å²	77.3	54%	0.541	41%	0.412	S	S	.	.	H	α-helix	trans	-55.2	-39.2	-168.7	-155.2	-86	0	0	0	114.6	I894 Q898 L899 T900	I894-Y896 PolarHBondContact O-N 3.31Å; Y896-Q898 VanDerWaalsContact C-N 3.33Å; Y896-Q898 PolarHBondContact O-N 2.75Å; Y896-L899 PolarHBondContact O-N 2.86Å; Y896-T900 WeakPolarHBondContact O-CB 3.48Å; Y896-T900 PolarHBondContact O-N 3.32Å; Y896-T900 PolarHBondContact O-OG1 3.27Å
897	P	39.2	Very low	41.1	Very low	84 Å²	84	81.3 Å²	81.3	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-31.3	174.1	-20.5	35.1	0	0	0	113.4	D895 K901	D895-P897 VanDerWaalsContact C-CD 3.42Å; D895-P897 WeakPolarHBondContact OD1-CD 3.46Å; P897-K901 WeakPolarHBondContact O-CB 3.47Å; P897-K901 PolarHBondContact O-N 3.19Å
898	Q	42.9	Very low	40.9	Very low	88 Å²	88	81 Å²	81	41%	0.411	43%	0.434	S	S	.	.	H	α-helix	trans	-70.9	-44.4	177.1	-58	-177.9	35.5	0	0	110.8	D895 Y896 T900 K901 Y902	D895-Q898 HydrophobicContact CB-CB 4.49Å; D895-Q898 HydrophobicContact CB-CG 4Å; D895-Q898 WeakPolarHBondContact O-CB 3.32Å; D895-Q898 PolarHBondContact O-N 3.29Å; D895-Q898 WeakPolarHBondContact OD2-CG 3.35Å; D895-Q898 PolarHBondContact OD2-NE2 2.95Å; Y896-Q898 VanDerWaalsContact C-N 3.33Å; Y896-Q898 PolarHBondContact O-N 2.75Å; Q898-T900 VanDerWaalsContact C-N 3.3Å; Q898-T900 PolarHBondContact O-N 3.25Å; Q898-K901 WeakPolarHBondContact O-CB 3.45Å; Q898-K901 PolarHBondContact O-N 3.41Å; Q898-Y902 WeakPolarHBondContact O-CD2 3.07Å; Q898-Y902 PolarHBondContact O-N 3.47Å
899	L	41.5	Very low	40.8	Very low	43 Å²	43	82.4 Å²	82.4	23%	0.225	43%	0.431	C	S	.	.	H	α-helix	trans	-61	-42.6	176.4	-150.6	160.5	0	0	0	110.5	I894 D895 Y896 Y902 I903	I894-L899 HydrophobicContact CB-CD1 4.26Å; I894-L899 HydrophobicContact CD1-CD1 4.47Å; I894-L899 HydrophobicContact CG2-CB 4.07Å; I894-L899 HydrophobicContact CG2-CD1 4.04Å; I894-L899 HydrophobicContact CG2-CG 4.32Å; D895-L899 PolarHBondContact O-N 2.82Å; Y896-L899 PolarHBondContact O-N 2.86Å; L899-Y902 PolarHBondContact O-N 2.88Å; L899-I903 HydrophobicContact CD2-CD1 3.58Å; L899-I903 HydrophobicContact CD2-CG1 4.22Å; L899-I903 PolarHBondContact O-N 3.37Å; L899-I903 VanDerWaalsContact O-N 3.12Å
900	T	42.6	Very low	40.3	Very low	72 Å²	72	79.8 Å²	79.8	44%	0.442	42%	0.417	S	S	.	.	H	α-helix	trans	-56.9	-49.5	172.2	-56.2	0	0	0	0	112.1	Y896 Q898 Y902 I903 S904	Y896-T900 WeakPolarHBondContact O-CB 3.48Å; Y896-T900 PolarHBondContact O-N 3.32Å; Y896-T900 PolarHBondContact O-OG1 3.27Å; Q898-T900 VanDerWaalsContact C-N 3.3Å; Q898-T900 PolarHBondContact O-N 3.25Å; T900-Y902 VanDerWaalsContact C-N 3.3Å; T900-Y902 PolarHBondContact O-N 3Å; T900-I903 PolarHBondContact O-N 2.9Å; T900-S904 PolarHBondContact O-N 2.81Å; T900-S904 VanDerWaalsContact O-N 3.14Å; T900-S904 PolarHBondContact O-OG 2.97Å
901	K	44.7	Very low	40.2	Very low	129 Å²	129	81.8 Å²	81.8	56%	0.561	43%	0.433	S	S	*	.	H	α-helix	trans	-56.8	-39.9	177.7	177.6	-168.7	173	-163.7	0	112.4	P897 Q898 S904	P897-K901 WeakPolarHBondContact O-CB 3.47Å; P897-K901 PolarHBondContact O-N 3.19Å; Q898-K901 WeakPolarHBondContact O-CB 3.45Å; Q898-K901 PolarHBondContact O-N 3.41Å; K901-S904 PolarHBondContact O-OG 3.32Å
902	Y	44.1	Very low	40.2	Very low	54 Å²	54	83.3 Å²	83.3	21%	0.212	43%	0.432	C	S	.	.	H	α-helix	trans	-70.5	-38.5	177.6	-72.5	-62.5	0	0	0	112.7	Q898 L899 T900 S904 L905 R943	Q898-Y902 WeakPolarHBondContact O-CD2 3.07Å; Q898-Y902 PolarHBondContact O-N 3.47Å; L899-Y902 PolarHBondContact O-N 2.88Å; T900-Y902 VanDerWaalsContact C-N 3.3Å; T900-Y902 PolarHBondContact O-N 3Å; Y902-S904 VanDerWaalsContact C-N 3.34Å; Y902-S904 PolarHBondContact O-N 3.15Å; Y902-L905 HydrophobicContact CD1-CD1 4.25Å; Y902-L905 PolarHBondContact O-N 3.29Å; Y902-R943 VanDerWaalsContact O-CZ 3.31Å; Y902-R943 PolarHBondContact O-NH1 3.24Å; Y902-R943 PolarHBondContact O-NH2 3Å
903	I	42.9	Very low	40.1	Very low	73 Å²	73	81 Å²	81	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-65.1	-37.1	178	-68.4	174.9	0	0	0	111.1	L899 T900 L905 R943 I946	L899-I903 HydrophobicContact CD2-CD1 3.58Å; L899-I903 HydrophobicContact CD2-CG1 4.22Å; L899-I903 PolarHBondContact O-N 3.37Å; L899-I903 VanDerWaalsContact O-N 3.12Å; T900-I903 PolarHBondContact O-N 2.9Å; I903-L905 VanDerWaalsContact C-N 3.3Å; I903-L905 PolarHBondContact O-N 3.46Å; I903-R943 PolarHBondContact O-NH2 2.9Å; I903-I946 HydrophobicContact CG2-CD1 4.24Å
904	S	41.3	Very low	40	Very low	89 Å²	89	81.9 Å²	81.9	62%	0.622	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-4	-178.5	57.3	0	0	0	0	116.8	T900 K901 Y902	T900-S904 PolarHBondContact O-N 2.81Å; T900-S904 VanDerWaalsContact O-N 3.14Å; T900-S904 PolarHBondContact O-OG 2.97Å; K901-S904 PolarHBondContact O-OG 3.32Å; Y902-S904 VanDerWaalsContact C-N 3.34Å; Y902-S904 PolarHBondContact O-N 3.15Å
905	L	38.3	Very low	39.7	Very low	40 Å²	40	84.3 Å²	84.3	21%	0.209	44%	0.444	C	S	.	.	S	Bend	trans	-74.2	131.6	-178.5	-72.8	171.8	0	0	0	112.9	Y902 I903 Y909 L910 R943	Y902-L905 HydrophobicContact CD1-CD1 4.25Å; Y902-L905 PolarHBondContact O-N 3.29Å; I903-L905 VanDerWaalsContact C-N 3.3Å; I903-L905 PolarHBondContact O-N 3.46Å; L905-Y909 HydrophobicContact CD2-CD1 3.92Å; L905-L910 HydrophobicContact CB-CD1 3.91Å; L905-L910 HydrophobicContact CD1-CD1 4.39Å; L905-L910 HydrophobicContact CD1-CG 4.45Å; L905-R943 PolarHBondContact O-NH2 2.67Å
906	P	37.2	Very low	38.9	Very low	83 Å²	83	85.8 Å²	85.8	54%	0.539	45%	0.45	S	S	.	.			trans	-60.5	146.2	172.1	-23.3	33.8	0	0	0	112.7	I908 Y909	P906-I908 VanDerWaalsContact C-N 3.28Å; P906-I908 PolarHBondContact O-N 3Å; P906-I908 VanDerWaalsContact O-N 3.12Å; P906-Y909 WeakPolarHBondContact O-CB 3.45Å; P906-Y909 PolarHBondContact O-N 3.1Å
907	N	36.6	Very low	38.7	Very low	126 Å²	126	88 Å²	88	67%	0.674	46%	0.458	S	S	*	.	H	α-helix	trans	-52.1	-40.2	-172.7	-74.1	-21.9	0	0	0	114.2	Y909 L910 S911	N907-Y909 PolarHBondContact O-N 2.81Å; N907-L910 PolarHBondContact O-N 3.34Å; N907-S911 PolarHBondContact O-N 3.39Å; N907-S911 PolarHBondContact O-OG 3.35Å
908	I	38.1	Very low	38.3	Very low	72 Å²	72	89.3 Å²	89.3	37%	0.369	47%	0.467	S	S	.	.	H	α-helix	trans	-49.7	-46.4	177.1	-48.2	173.2	0	0	0	111	M789 P906 L910 S911 E912	M789-I908 HydrophobicContact CE-CD1 3.52Å; M789-I908 HydrophobicContact CE-CG1 3.48Å; M789-I908 VanDerWaalsContact CE-CG1 3.48Å; P906-I908 VanDerWaalsContact C-N 3.28Å; P906-I908 PolarHBondContact O-N 3Å; P906-I908 VanDerWaalsContact O-N 3.12Å; I908-L910 VanDerWaalsContact C-N 3.34Å; I908-L910 PolarHBondContact O-N 2.85Å; I908-S911 VanDerWaalsContact C-OG 3.31Å; I908-S911 VanDerWaalsContact CA-OG 3.31Å; I908-S911 WeakPolarHBondContact CA-OG 3.4Å; I908-S911 PolarHBondContact O-N 2.76Å; I908-S911 PolarHBondContact O-OG 3.26Å; I908-E912 HydrophobicContact CG2-CG 4.26Å; I908-E912 WeakPolarHBondContact O-CG 3.3Å; I908-E912 PolarHBondContact O-N 3.37Å
909	Y	37	Very low	37.8	Very low	80 Å²	80	92.4 Å²	92.4	31%	0.314	49%	0.487	S	S	.	.	H	α-helix	trans	-70.6	-32.7	-168.9	-144.9	-110.6	0	0	0	112.3	I733 L905 P906 N907 Q913	I733-Y909 HydrophobicContact CG2-CD2 4.1Å; I733-Y909 HydrophobicContact CG2-CE2 3.31Å; L905-Y909 HydrophobicContact CD2-CD1 3.92Å; P906-Y909 WeakPolarHBondContact O-CB 3.45Å; P906-Y909 PolarHBondContact O-N 3.1Å; N907-Y909 PolarHBondContact O-N 2.81Å; Y909-Q913 VanDerWaalsContact O-CB 3.32Å; Y909-Q913 WeakPolarHBondContact O-CB 3.06Å; Y909-Q913 VanDerWaalsContact O-CG 3.3Å; Y909-Q913 WeakPolarHBondContact O-CG 3.39Å; Y909-Q913 PolarHBondContact O-N 2.8Å
910	L	33.8	Very low	37.3	Very low	32 Å²	32	95 Å²	95	17%	0.168	50%	0.497	C	S	.	.	H	α-helix	trans	-79.4	-35	172.8	-87.1	148.2	0	0	0	112.2	L905 N907 I908 I914 R943	L905-L910 HydrophobicContact CB-CD1 3.91Å; L905-L910 HydrophobicContact CD1-CD1 4.39Å; L905-L910 HydrophobicContact CD1-CG 4.45Å; N907-L910 PolarHBondContact O-N 3.34Å; I908-L910 VanDerWaalsContact C-N 3.34Å; I908-L910 PolarHBondContact O-N 2.85Å; L910-I914 HydrophobicContact CB-CD1 4.47Å; L910-I914 HydrophobicContact CD2-CD1 3.98Å; L910-I914 WeakPolarHBondContact O-CB 3.44Å; L910-I914 WeakPolarHBondContact O-CD1 3.46Å; L910-I914 WeakPolarHBondContact O-CG1 3.39Å; L910-I914 PolarHBondContact O-N 3.47Å; L910-R943 VanDerWaalsContact CD1-NH2 3.27Å
911	S	36.1	Very low	36.7	Very low	68 Å²	68	96.3 Å²	96.3	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-42.2	171.1	45.7	0	0	0	0	111.8	N907 I908 S915	N907-S911 PolarHBondContact O-N 3.39Å; N907-S911 PolarHBondContact O-OG 3.35Å; I908-S911 VanDerWaalsContact C-OG 3.31Å; I908-S911 VanDerWaalsContact CA-OG 3.31Å; I908-S911 WeakPolarHBondContact CA-OG 3.4Å; I908-S911 PolarHBondContact O-N 2.76Å; I908-S911 PolarHBondContact O-OG 3.26Å; S911-S915 VanDerWaalsContact O-CB 3.22Å; S911-S915 WeakPolarHBondContact O-CB 3.14Å; S911-S915 PolarHBondContact O-N 3.19Å; S911-S915 PolarHBondContact O-OG 3.43Å
912	E	39	Very low	36	Very low	110 Å²	110	92.8 Å²	92.8	51%	0.514	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-47.3	176.1	-71.4	-178.7	143.5	0	0	111.3	I908 I914 S915 M916	I908-E912 HydrophobicContact CG2-CG 4.26Å; I908-E912 WeakPolarHBondContact O-CG 3.3Å; I908-E912 PolarHBondContact O-N 3.37Å; E912-I914 VanDerWaalsContact C-N 3.31Å; E912-I914 PolarHBondContact O-N 2.87Å; E912-S915 PolarHBondContact O-N 2.83Å; E912-M916 WeakPolarHBondContact O-CG 3.33Å; E912-M916 PolarHBondContact O-N 2.82Å
913	Q	40.2	Very low	35.7	Very low	107 Å²	107	98.8 Å²	98.8	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-21.6	179.7	-73.9	-168.4	-37.5	0	0	114.8	Y909	Y909-Q913 VanDerWaalsContact O-CB 3.32Å; Y909-Q913 WeakPolarHBondContact O-CB 3.06Å; Y909-Q913 VanDerWaalsContact O-CG 3.3Å; Y909-Q913 WeakPolarHBondContact O-CG 3.39Å; Y909-Q913 PolarHBondContact O-N 2.8Å
914	I	40.3	Very low	35.3	Very low	103 Å²	103	100.1 Å²	100.1	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-94.1	-21.5	177.2	-64.9	169.5	0	0	0	112.1	L910 E912	L910-I914 HydrophobicContact CB-CD1 4.47Å; L910-I914 HydrophobicContact CD2-CD1 3.98Å; L910-I914 WeakPolarHBondContact O-CB 3.44Å; L910-I914 WeakPolarHBondContact O-CD1 3.46Å; L910-I914 WeakPolarHBondContact O-CG1 3.39Å; L910-I914 PolarHBondContact O-N 3.47Å; E912-I914 VanDerWaalsContact C-N 3.31Å; E912-I914 PolarHBondContact O-N 2.87Å
915	S	34.8	Very low	35	Very low	89 Å²	89	100 Å²	100	62%	0.622	52%	0.519	S	S	*	.	H	α-helix	trans	-96.2	-11.9	-179.9	61.8	0	0	0	0	115	S911 E912 Y917	S911-S915 VanDerWaalsContact O-CB 3.22Å; S911-S915 WeakPolarHBondContact O-CB 3.14Å; S911-S915 PolarHBondContact O-N 3.19Å; S911-S915 PolarHBondContact O-OG 3.43Å; E912-S915 PolarHBondContact O-N 2.83Å; S915-Y917 PolarHBondContact O-N 3.32Å
916	M	28.9	Very low	35	Very low	122 Å²	122	106.3 Å²	106.3	60%	0.601	55%	0.545	S	S	*	.	S	Bend	trans	-64.6	133.1	169.3	-76.7	-162.6	73.3	0	0	111.2	E912	E912-M916 WeakPolarHBondContact O-CG 3.33Å; E912-M916 PolarHBondContact O-N 2.82Å
917	Y	33.6	Very low	35.3	Very low	183 Å²	183	104.6 Å²	104.6	72%	0.718	53%	0.534	S	S	*	.			trans	-55.4	143.4	-174.7	-71	-92.3	0	0	0	112.8	S915 N919 E920	S915-Y917 PolarHBondContact O-N 3.32Å; Y917-N919 PolarHBondContact O-N 2.86Å; Y917-E920 PolarHBondContact O-N 3.44Å
918	P	30.3	Very low	35.5	Very low	113 Å²	113	101.6 Å²	101.6	73%	0.734	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-54.1	-21.8	-179.5	-28.2	35.3	0	0	0	115.4
919	N	32	Very low	35.5	Very low	153 Å²	153	105.5 Å²	105.5	82%	0.818	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-87.3	-6.8	-170.9	-60.8	-14.5	0	0	0	114.4	Y917	Y917-N919 PolarHBondContact O-N 2.86Å
920	E	32.3	Very low	35.7	Very low	96 Å²	96	106 Å²	106	45%	0.449	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-109.2	4.1	-178.6	-63.2	-143.1	117.3	0	0	114.9	T103 Y917 S922	T103-E920 WeakPolarHBondContact CB-OE1 3.41Å; T103-E920 WeakPolarHBondContact CG2-OE1 3.47Å; T103-E920 PolarHBondContact OG1-OE1 2.87Å; Y917-E920 PolarHBondContact O-N 3.44Å; E920-S922 PolarHBondContact O-N 2.86Å
921	M	29.8	Very low	36.4	Very low	100 Å²	100	106.7 Å²	106.7	49%	0.493	55%	0.553	S	S	.	*			trans	-69.4	86.5	174.5	-82.5	-171.1	66.8	0	0	112.2	K923 I928	M921-K923 PolarHBondContact O-N 2.64Å; M921-I928 HydrophobicContact CE-CB 4.03Å; M921-I928 HydrophobicContact CE-CD1 4.43Å; M921-I928 HydrophobicContact CE-CG2 3.94Å
922	S	30.4	Very low	37.2	Very low	55 Å²	55	106 Å²	106	39%	0.385	55%	0.548	S	S	.	.			trans	-72.2	89.9	-174.4	68.1	0	0	0	0	114.2	E920 N924	E920-S922 PolarHBondContact O-N 2.86Å; S922-N924 PolarHBondContact O-N 2.88Å
923	K	37.6	Very low	37.8	Very low	181 Å²	181	106.1 Å²	106.1	79%	0.787	56%	0.559	S	S	*	*	S	Bend	trans	53.4	-15.2	154	-69.2	-174.7	175.2	179.6	0	121.2	M921	M921-K923 PolarHBondContact O-N 2.64Å
924	N	32.7	Very low	38.2	Very low	100 Å²	100	111.6 Å²	111.6	54%	0.535	58%	0.575	S	S	.	*	S	Bend	trans	-105.5	-5.2	-161.9	-79.5	7.1	0	0	0	116	S922	S922-N924 PolarHBondContact O-N 2.88Å
925	D	36.3	Very low	38.7	Very low	88 Å²	88	109 Å²	109	47%	0.471	56%	0.56	S	S	.	*			trans	-126.9	71.4	-178.1	-139.5	-30.7	0	0	0	113.1	S927 I928	D925-S927 PolarHBondContact O-N 3.32Å; D925-S927 WeakPolarHBondContact OD1-CB 3.47Å; D925-S927 PolarHBondContact OD1-OG 2.92Å; D925-I928 HydrophobicContact CB-CD1 4.26Å; D925-I928 PolarHBondContact O-N 2.89Å
926	K	38.5	Very low	39.6	Very low	172 Å²	172	107.4 Å²	107.4	75%	0.748	55%	0.546	S	S	*	.	H	α-helix	trans	-59.2	-12.5	174	-67.3	-172.8	176.8	-174.4	0	113.4	I928	K926-I928 VanDerWaalsContact C-N 3.27Å; K926-I928 PolarHBondContact O-N 3.43Å
927	S	43.4	Very low	40.8	Very low	46 Å²	46	104.8 Å²	104.8	32%	0.322	54%	0.54	S	S	.	.	H	α-helix	trans	-69.8	-22.8	177.4	77.8	0	0	0	0	113.5	D925 S930 I931	D925-S927 PolarHBondContact O-N 3.32Å; D925-S927 WeakPolarHBondContact OD1-CB 3.47Å; D925-S927 PolarHBondContact OD1-OG 2.92Å; S927-S930 PolarHBondContact O-OG 2.84Å; S927-I931 WeakPolarHBondContact O-CG1 3.35Å
928	I	40.5	Very low	41.8	Very low	64 Å²	64	97.2 Å²	97.2	33%	0.328	51%	0.511	S	S	.	.	H	α-helix	trans	-91.4	-35	-175.9	-58.4	178.5	0	0	0	111	M921 D925 K926 S930 I931	M921-I928 HydrophobicContact CE-CB 4.03Å; M921-I928 HydrophobicContact CE-CD1 4.43Å; M921-I928 HydrophobicContact CE-CG2 3.94Å; D925-I928 HydrophobicContact CB-CD1 4.26Å; D925-I928 PolarHBondContact O-N 2.89Å; K926-I928 VanDerWaalsContact C-N 3.27Å; K926-I928 PolarHBondContact O-N 3.43Å; I928-S930 PolarHBondContact O-N 3.23Å; I928-I931 PolarHBondContact O-N 3.36Å
929	Q	38.1	Very low	43	Very low	153 Å²	153	94.1 Å²	94.1	72%	0.715	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-16.1	-178.9	-69.5	-179.3	-32.9	0	0	114.2
930	S	41.4	Very low	44	Very low	90 Å²	90	92.2 Å²	92.2	63%	0.629	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-1	177.5	58.8	0	0	0	0	114.1	S927 I928 S932	S927-S930 PolarHBondContact O-OG 2.84Å; I928-S930 PolarHBondContact O-N 3.23Å; S930-S932 PolarHBondContact O-N 3.35Å; S930-S932 VanDerWaalsContact O-N 3.15Å
931	I	47.9	Very low	45.2	Very low	48 Å²	48	90.1 Å²	90.1	25%	0.246	47%	0.465	C	S	.	.			trans	-81.2	97.5	178.6	-51	179.7	0	0	0	108.6	S927 I928 K935 V936	S927-I931 WeakPolarHBondContact O-CG1 3.35Å; I928-I931 PolarHBondContact O-N 3.36Å; I931-K935 HydrophobicContact CG2-CB 3.6Å; I931-V936 HydrophobicContact CB-CG2 4.34Å; I931-V936 HydrophobicContact CG2-CG2 3.65Å
932	S	52.3	Low	46.4	Very low	53 Å²	53	86.7 Å²	86.7	37%	0.371	45%	0.449	S	S	.	.			trans	-56	152.8	-179.3	72.1	0	0	0	0	112.5	S930 R934 K935 V936	S930-S932 PolarHBondContact O-N 3.35Å; S930-S932 VanDerWaalsContact O-N 3.15Å; S932-R934 PolarHBondContact O-N 3.43Å; S932-K935 WeakPolarHBondContact O-CA 3.48Å; S932-K935 WeakPolarHBondContact O-CB 3.43Å; S932-K935 PolarHBondContact O-N 3.19Å; S932-K935 PolarHBondContact OG-N 3.13Å; S932-V936 PolarHBondContact O-N 3.02Å
933	P	51.9	Low	47.5	Very low	113 Å²	113	86.4 Å²	86.4	73%	0.734	44%	0.439	S	S	*	.	H	α-helix	trans	-54	-30.9	177.4	-28.9	36.1	0	0	0	113.6	V936 S937	P933-V936 PolarHBondContact O-N 3.2Å; P933-S937 VanDerWaalsContact O-CB 3.31Å; P933-S937 WeakPolarHBondContact O-CB 3.4Å; P933-S937 PolarHBondContact O-N 3.12Å
934	R	48.5	Very low	48.4	Very low	222 Å²	222	83.3 Å²	83.3	84%	0.838	43%	0.428	S	S	*	.	H	α-helix	trans	-63.9	-45.9	171.2	-67.9	-177.4	179.5	167.8	0.3	112.2	S932 S937 F938	S932-R934 PolarHBondContact O-N 3.43Å; R934-S937 PolarHBondContact O-N 2.84Å; R934-F938 WeakPolarHBondContact O-CB 3.45Å; R934-F938 PolarHBondContact O-N 3.07Å
935	K	51.2	Low	49.1	Very low	48 Å²	48	82.4 Å²	82.4	21%	0.209	42%	0.419	C	S	.	.	H	α-helix	trans	-62.6	-41.3	174.3	-75.1	-176.1	172.5	-172.7	0	111.7	T893 I894 I931 S932 F938 I939	T893-K935 PolarHBondContact OG1-NZ 2.83Å; I894-K935 HydrophobicContact CD1-CD 4.09Å; I931-K935 HydrophobicContact CG2-CB 3.6Å; S932-K935 WeakPolarHBondContact O-CA 3.48Å; S932-K935 WeakPolarHBondContact O-CB 3.43Å; S932-K935 PolarHBondContact O-N 3.19Å; S932-K935 PolarHBondContact OG-N 3.13Å; K935-F938 PolarHBondContact O-N 3.02Å; K935-I939 VanDerWaalsContact O-CG1 3.31Å; K935-I939 WeakPolarHBondContact O-CG1 3.2Å; K935-I939 PolarHBondContact O-N 3.06Å
936	V	54.3	Low	49.7	Very low	56 Å²	56	80.1 Å²	80.1	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-45.2	175.3	-179	0	0	0	0	111.5	I931 S932 P933 I939 K940	I931-V936 HydrophobicContact CB-CG2 4.34Å; I931-V936 HydrophobicContact CG2-CG2 3.65Å; S932-V936 PolarHBondContact O-N 3.02Å; P933-V936 PolarHBondContact O-N 3.2Å; V936-I939 PolarHBondContact O-N 3.17Å; V936-K940 WeakPolarHBondContact O-CG 3.49Å; V936-K940 PolarHBondContact O-N 3.46Å
937	S	53.1	Low	50.1	Low	67 Å²	67	74 Å²	74	47%	0.469	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-47.7	176.9	-167.9	0	0	0	0	111.3	P933 R934 I939 K940 T941	P933-S937 VanDerWaalsContact O-CB 3.31Å; P933-S937 WeakPolarHBondContact O-CB 3.4Å; P933-S937 PolarHBondContact O-N 3.12Å; R934-S937 PolarHBondContact O-N 2.84Å; S937-I939 VanDerWaalsContact C-N 3.34Å; S937-I939 PolarHBondContact O-N 3.11Å; S937-K940 CarbonylContact O-C 3.53Å; S937-K940 WeakPolarHBondContact O-CA 3.5Å; S937-K940 WeakPolarHBondContact O-CB 3.41Å; S937-K940 PolarHBondContact O-N 2.8Å; S937-T941 PolarHBondContact O-N 3.43Å; S937-T941 PolarHBondContact O-OG1 3.41Å; S937-T941 VanDerWaalsContact O-OG1 3.12Å
938	F	54.8	Low	50.1	Low	24 Å²	24	80.1 Å²	80.1	11%	0.105	40%	0.402	C	S	.	.	H	α-helix	trans	-58.7	-41.1	177.4	-170.9	-105.8	0	0	0	113	L883 S886 W887 L890 R934 K935 K940 T941 I942	L883-F938 HydrophobicContact CD2-CD2 3.93Å; L883-F938 HydrophobicContact CD2-CE2 3.82Å; S886-F938 VanDerWaalsContact OG-CE2 3.27Å; S886-F938 WeakPolarHBondContact OG-CE2 3.32Å; W887-F938 HydrophobicContact CE3-CE1 4.2Å; W887-F938 AromaticContact CE3-CZ 3.86Å; W887-F938 HydrophobicContact CE3-CZ 3.86Å; W887-F938 HydrophobicContact CZ3-CE1 4.48Å; W887-F938 HydrophobicContact CZ3-CZ 4.44Å; L890-F938 HydrophobicContact CD2-CD1 3.5Å; L890-F938 HydrophobicContact CD2-CE1 3.55Å; L890-F938 HydrophobicContact CD2-CG 4.5Å; R934-F938 WeakPolarHBondContact O-CB 3.45Å; R934-F938 PolarHBondContact O-N 3.07Å; K935-F938 PolarHBondContact O-N 3.02Å; F938-K940 VanDerWaalsContact C-N 3.35Å; F938-K940 PolarHBondContact O-N 3.07Å; F938-T941 PolarHBondContact O-N 2.87Å; F938-I942 HydrophobicContact CD1-CD1 3.62Å; F938-I942 HydrophobicContact CD1-CG1 4.49Å; F938-I942 HydrophobicContact CE1-CD1 3.3Å; F938-I942 HydrophobicContact CE1-CG1 4.35Å; F938-I942 HydrophobicContact CG-CD1 4.41Å; F938-I942 HydrophobicContact CZ-CD1 3.87Å; F938-I942 WeakPolarHBondContact O-CG1 3.34Å; F938-I942 PolarHBondContact O-N 2.93Å
939	I	55.4	Low	50	Low	47 Å²	47	79.9 Å²	79.9	24%	0.241	41%	0.405	C	S	.	.	H	α-helix	trans	-64.9	-37.6	174.1	-68.6	165.4	0	0	0	111.3	K935 V936 S937 R943	K935-I939 VanDerWaalsContact O-CG1 3.31Å; K935-I939 WeakPolarHBondContact O-CG1 3.2Å; K935-I939 PolarHBondContact O-N 3.06Å; V936-I939 PolarHBondContact O-N 3.17Å; S937-I939 VanDerWaalsContact C-N 3.34Å; S937-I939 PolarHBondContact O-N 3.11Å; I939-R943 WeakPolarHBondContact O-CB 3.47Å; I939-R943 PolarHBondContact O-N 2.97Å
940	K	54.2	Low	50.2	Low	114 Å²	114	77.2 Å²	77.2	50%	0.496	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-43.6	172.3	-70.8	177.3	177.2	-177.5	0	111.6	V936 S937 F938 R943 Q944	V936-K940 WeakPolarHBondContact O-CG 3.49Å; V936-K940 PolarHBondContact O-N 3.46Å; S937-K940 CarbonylContact O-C 3.53Å; S937-K940 WeakPolarHBondContact O-CA 3.5Å; S937-K940 WeakPolarHBondContact O-CB 3.41Å; S937-K940 PolarHBondContact O-N 2.8Å; F938-K940 VanDerWaalsContact C-N 3.35Å; F938-K940 PolarHBondContact O-N 3.07Å; K940-R943 PolarHBondContact O-N 3.04Å; K940-Q944 WeakPolarHBondContact O-CG 3.41Å; K940-Q944 PolarHBondContact O-N 3.35Å
941	T	56.8	Low	50	Low	51 Å²	51	79.9 Å²	79.9	31%	0.313	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-44.7	177.3	-52.5	0	0	0	0	111.9	L883 S937 F938 R943 Q944 F945	L883-T941 HydrophobicContact CD2-CG2 4.42Å; S937-T941 PolarHBondContact O-N 3.43Å; S937-T941 PolarHBondContact O-OG1 3.41Å; S937-T941 VanDerWaalsContact O-OG1 3.12Å; F938-T941 PolarHBondContact O-N 2.87Å; T941-R943 PolarHBondContact O-N 3.34Å; T941-Q944 PolarHBondContact O-N 3.42Å; T941-F945 PolarHBondContact O-N 2.85Å
942	I	55.3	Low	49.4	Very low	28 Å²	28	86.6 Å²	86.6	14%	0.144	42%	0.423	C	S	.	.	H	α-helix	trans	-60.8	-44.8	174.1	-72.9	171	0	0	0	110.6	W887 F938 Q944 F945 I946	W887-I942 HydrophobicContact CE3-CD1 4.4Å; W887-I942 HydrophobicContact CH2-CD1 4.41Å; W887-I942 HydrophobicContact CZ3-CD1 3.65Å; F938-I942 HydrophobicContact CD1-CD1 3.62Å; F938-I942 HydrophobicContact CD1-CG1 4.49Å; F938-I942 HydrophobicContact CE1-CD1 3.3Å; F938-I942 HydrophobicContact CE1-CG1 4.35Å; F938-I942 HydrophobicContact CG-CD1 4.41Å; F938-I942 HydrophobicContact CZ-CD1 3.87Å; F938-I942 WeakPolarHBondContact O-CG1 3.34Å; F938-I942 PolarHBondContact O-N 2.93Å; I942-Q944 PolarHBondContact O-N 3.12Å; I942-F945 PolarHBondContact O-N 2.93Å; I942-I946 HydrophobicContact CG2-CD1 3.66Å; I942-I946 HydrophobicContact CG2-CG1 4.3Å; I942-I946 WeakPolarHBondContact O-CB 3.47Å; I942-I946 WeakPolarHBondContact O-CG1 3.2Å; I942-I946 PolarHBondContact O-N 3.03Å
943	R	54.4	Low	48.9	Very low	49 Å²	49	91 Å²	91	19%	0.185	44%	0.436	C	S	.	.	H	α-helix	trans	-62.5	-38.4	174.9	-90	-167.9	147.3	79.3	0.9	113.1	Y902 I903 L905 L910 I939 K940 T941 S947	Y902-R943 VanDerWaalsContact O-CZ 3.31Å; Y902-R943 PolarHBondContact O-NH1 3.24Å; Y902-R943 PolarHBondContact O-NH2 3Å; I903-R943 PolarHBondContact O-NH2 2.9Å; L905-R943 PolarHBondContact O-NH2 2.67Å; L910-R943 VanDerWaalsContact CD1-NH2 3.27Å; I939-R943 WeakPolarHBondContact O-CB 3.47Å; I939-R943 PolarHBondContact O-N 2.97Å; K940-R943 PolarHBondContact O-N 3.04Å; T941-R943 PolarHBondContact O-N 3.34Å; R943-S947 WeakPolarHBondContact O-CB 3.29Å; R943-S947 PolarHBondContact O-N 3.21Å
944	Q	55.2	Low	48.4	Very low	116 Å²	116	90.3 Å²	90.3	54%	0.542	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-38	173.9	-79.7	-178.7	-30.5	0	0	112	K940 T941 I942 R948	K940-Q944 WeakPolarHBondContact O-CG 3.41Å; K940-Q944 PolarHBondContact O-N 3.35Å; T941-Q944 PolarHBondContact O-N 3.42Å; I942-Q944 PolarHBondContact O-N 3.12Å; Q944-R948 VanDerWaalsContact O-CB 3.24Å; Q944-R948 WeakPolarHBondContact O-CB 3.21Å; Q944-R948 VanDerWaalsContact O-CG 3.22Å; Q944-R948 WeakPolarHBondContact O-CG 3.35Å; Q944-R948 PolarHBondContact O-N 2.73Å
945	F	46.8	Very low	48.5	Very low	81 Å²	81	86.5 Å²	86.5	36%	0.355	42%	0.42	S	S	.	.	H	α-helix	trans	-68.3	-47.5	176.4	-170.1	-90.1	0	0	0	111.7	M871 Y880 T941 I942 R948 S949	M871-F945 HydrophobicContact CE-CD1 4.29Å; M871-F945 HydrophobicContact CE-CE1 4.28Å; Y880-F945 HydrophobicContact CD1-CE2 4.47Å; Y880-F945 AromaticContact CE1-CD2 3.97Å; Y880-F945 HydrophobicContact CE1-CD2 3.97Å; Y880-F945 AromaticContact CE1-CE2 3.73Å; Y880-F945 HydrophobicContact CE1-CE2 3.73Å; T941-F945 PolarHBondContact O-N 2.85Å; I942-F945 PolarHBondContact O-N 2.93Å; F945-R948 PolarHBondContact O-N 2.77Å; F945-S949 WeakPolarHBondContact O-CB 3.27Å; F945-S949 PolarHBondContact O-N 2.84Å; F945-S949 PolarHBondContact O-OG 3.5Å
946	I	49.5	Very low	48.7	Very low	40 Å²	40	88.9 Å²	88.9	21%	0.205	43%	0.431	C	S	.	.	H	α-helix	trans	-56.8	-54.7	173.7	-69.6	171.5	0	0	0	109.5	I903 I942 R948 S949 E950	I903-I946 HydrophobicContact CG2-CD1 4.24Å; I942-I946 HydrophobicContact CG2-CD1 3.66Å; I942-I946 HydrophobicContact CG2-CG1 4.3Å; I942-I946 WeakPolarHBondContact O-CB 3.47Å; I942-I946 WeakPolarHBondContact O-CG1 3.2Å; I942-I946 PolarHBondContact O-N 3.03Å; I946-R948 PolarHBondContact O-N 2.98Å; I946-S949 CarbonylContact O-C 3.56Å; I946-S949 WeakPolarHBondContact O-CA 3.46Å; I946-S949 PolarHBondContact O-N 2.87Å; I946-S949 PolarHBondContact O-OG 2.96Å; I946-E950 VanDerWaalsContact CG2-CD 3.46Å; I946-E950 HydrophobicContact CG2-CG 4.2Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.31Å; I946-E950 WeakPolarHBondContact O-CB 3.27Å; I946-E950 WeakPolarHBondContact O-CG 3.47Å; I946-E950 PolarHBondContact O-N 3.14Å
947	S	47.2	Very low	49.4	Very low	45 Å²	45	91.6 Å²	91.6	32%	0.315	44%	0.438	S	S	.	.	H	α-helix	trans	-57.8	-44.4	179.5	-176.4	0	0	0	0	112.7	R943 S949 E950 Q951	R943-S947 WeakPolarHBondContact O-CB 3.29Å; R943-S947 PolarHBondContact O-N 3.21Å; S947-S949 VanDerWaalsContact C-N 3.3Å; S947-S949 PolarHBondContact O-N 3.25Å; S947-E950 PolarHBondContact O-N 3.48Å; S947-Q951 VanDerWaalsContact O-CB 3.26Å; S947-Q951 WeakPolarHBondContact O-CB 3.29Å; S947-Q951 WeakPolarHBondContact O-CG 3.3Å; S947-Q951 PolarHBondContact O-N 3.12Å
948	R	44.4	Very low	50.6	Low	174 Å²	174	88.9 Å²	88.9	66%	0.657	42%	0.419	S	S	*	.	H	α-helix	trans	-64.6	-31.1	174.7	-76.7	174.5	171.3	-173.6	-3.3	113.1	Q944 F945 I946	Q944-R948 VanDerWaalsContact O-CB 3.24Å; Q944-R948 WeakPolarHBondContact O-CB 3.21Å; Q944-R948 VanDerWaalsContact O-CG 3.22Å; Q944-R948 WeakPolarHBondContact O-CG 3.35Å; Q944-R948 PolarHBondContact O-N 2.73Å; F945-R948 PolarHBondContact O-N 2.77Å; I946-R948 PolarHBondContact O-N 2.98Å
949	S	37.8	Very low	51.9	Low	58 Å²	58	88 Å²	88	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-77.8	-31.7	175.7	77.1	0	0	0	0	113	F945 I946 S947	F945-S949 WeakPolarHBondContact O-CB 3.27Å; F945-S949 PolarHBondContact O-N 2.84Å; F945-S949 PolarHBondContact O-OG 3.5Å; I946-S949 CarbonylContact O-C 3.56Å; I946-S949 WeakPolarHBondContact O-CA 3.46Å; I946-S949 PolarHBondContact O-N 2.87Å; I946-S949 PolarHBondContact O-OG 2.96Å; S947-S949 VanDerWaalsContact C-N 3.3Å; S947-S949 PolarHBondContact O-N 3.25Å
950	E	41.1	Very low	53.4	Low	97 Å²	97	87.7 Å²	87.7	45%	0.453	41%	0.413	S	S	.	.	H	α-helix	trans	-76.6	-40.7	176.2	-76.8	175.9	165.1	0	0	111.7	I946 S947 K952 K953 L954	I946-E950 VanDerWaalsContact CG2-CD 3.46Å; I946-E950 HydrophobicContact CG2-CG 4.2Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.31Å; I946-E950 WeakPolarHBondContact O-CB 3.27Å; I946-E950 WeakPolarHBondContact O-CG 3.47Å; I946-E950 PolarHBondContact O-N 3.14Å; S947-E950 PolarHBondContact O-N 3.48Å; E950-K952 PolarHBondContact O-N 3.18Å; E950-K953 PolarHBondContact O-N 3.19Å; E950-L954 HydrophobicContact CB-CD1 4.03Å; E950-L954 HydrophobicContact CG-CD1 4.37Å; E950-L954 PolarHBondContact O-N 2.96Å
951	Q	37.9	Very low	55.1	Low	146 Å²	146	82.3 Å²	82.3	68%	0.682	39%	0.39	S	S	*	.	H	α-helix	trans	-57.9	-26.3	173.4	-79.1	172.3	-22.8	0	0	113	S947	S947-Q951 VanDerWaalsContact O-CB 3.26Å; S947-Q951 WeakPolarHBondContact O-CB 3.29Å; S947-Q951 WeakPolarHBondContact O-CG 3.3Å; S947-Q951 PolarHBondContact O-N 3.12Å
952	K	36.6	Very low	56.6	Low	190 Å²	190	81.6 Å²	81.6	83%	0.826	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	7.1	173.9	-70	-167.7	174.5	-171.6	0	114.3	E950	E950-K952 PolarHBondContact O-N 3.18Å
953	K	40	Very low	58.1	Low	146 Å²	146	81.5 Å²	81.5	64%	0.635	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	-23.4	-176.6	-77.8	-169.7	169.8	-173.8	0	116.5	E950 L955	E950-K953 PolarHBondContact O-N 3.19Å; K953-L955 PolarHBondContact O-N 3.33Å
954	L	42.4	Very low	59.8	Low	98 Å²	98	83.4 Å²	83.4	51%	0.513	40%	0.404	S	S	.	.			trans	-91.5	77	-178.4	-82.5	150.8	0	0	0	112.3	E950 F956	E950-L954 HydrophobicContact CB-CD1 4.03Å; E950-L954 HydrophobicContact CG-CD1 4.37Å; E950-L954 PolarHBondContact O-N 2.96Å; L954-F956 PolarHBondContact O-N 3.28Å; L954-F956 VanDerWaalsContact O-N 3.17Å
955	L	49.7	Very low	61.6	Low	141 Å²	141	80.9 Å²	80.9	74%	0.738	39%	0.392	S	S	*	.			trans	-69.9	-8.2	-174.2	-140.7	84.9	0	0	0	115.2	K953	K953-L955 PolarHBondContact O-N 3.33Å
956	F	56.4	Low	63.8	Low	98 Å²	98	77.3 Å²	77.3	43%	0.43	38%	0.377	S	S	.	.			trans	-145.3	123.1	-178.5	-64.6	-93.3	0	0	0	111.7	L825 L954	L825-F956 HydrophobicContact CD1-CB 4.15Å; L825-F956 HydrophobicContact CD2-CB 3.61Å; L825-F956 HydrophobicContact CD2-CD1 3.96Å; L825-F956 HydrophobicContact CD2-CD2 3.18Å; L825-F956 HydrophobicContact CD2-CE1 4.44Å; L825-F956 HydrophobicContact CD2-CE2 3.76Å; L825-F956 HydrophobicContact CD2-CG 3.31Å; L825-F956 HydrophobicContact CD2-CZ 4.35Å; L954-F956 PolarHBondContact O-N 3.28Å; L954-F956 VanDerWaalsContact O-N 3.17Å
957	K	68.8	Low	66	Low	113 Å²	113	77.7 Å²	77.7	49%	0.491	38%	0.381	S	S	.	.	S	Bend	trans	-84.1	-21.5	174.3	-64.2	172	-178.5	166.2	0	113.1	E658 D791	E658-K957 IonicContact OE2-NZ 3.75Å; D791-K957 IonicContact OD2-NZ 2.67Å; D791-K957 PolarHBondContact OD2-NZ 3.07Å
958	C	78	Confident	68.4	Low	10 Å²	10	77.1 Å²	77.1	7%	0.068	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	169.9	-163.3	61	0	0	0	0	112.4	V790 I802 H960	V790-C958 HydrophobicContact CG1-CB 4.06Å; I802-C958 CarbonylContact O-C 3.54Å; I802-C958 WeakPolarHBondContact O-CA 3.41Å; I802-C958 VanDerWaalsContact O-CB 3.32Å; I802-C958 WeakPolarHBondContact O-CB 3.29Å; C958-H960 VanDerWaalsContact SG-CE1 3.5Å
959	V	83.2	Confident	70.9	Confident	6 Å²	6	72.2 Å²	72.2	4%	0.036	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.4	169.5	-67.2	0	0	0	0	109.5	I802 L804 V807 I818 I822 L825	I802-V959 HydrophobicContact CB-CG2 3.95Å; I802-V959 WeakPolarHBondContact CB-O 3.44Å; I802-V959 HydrophobicContact CG2-CG2 4.42Å; I802-V959 PolarHBondContact N-O 3.43Å; I802-V959 PolarHBondContact O-N 3.03Å; L804-V959 HydrophobicContact CD2-CG1 3.98Å; V807-V959 HydrophobicContact CG2-CG2 3.9Å; I818-V959 HydrophobicContact CD1-CB 4.07Å; I818-V959 HydrophobicContact CD1-CG2 3.59Å; I822-V959 HydrophobicContact CD1-CG1 4.38Å; I822-V959 HydrophobicContact CG1-CG1 3.8Å; L825-V959 HydrophobicContact CD1-CG1 3.87Å
960	H	85.9	Confident	73.7	Confident	41 Å²	41	69.8 Å²	69.8	19%	0.19	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.9	-174.8	-72	92.4	0	0	0	110.9	D793 I796 H799 V800 I818 C958	D793-H960 WeakPolarHBondContact CB-NE2 3.29Å; D793-H960 IonicContact OD2-CE1 2.68Å; I796-H960 HydrophobicContact CD1-CB 4.24Å; H799-H960 HydrophobicContact CB-CB 4.38Å; V800-H960 WeakPolarHBondContact O-CA 3.1Å; I818-H960 VanDerWaalsContact CG2-O 3.27Å; I818-H960 WeakPolarHBondContact CG2-O 3.46Å; C958-H960 VanDerWaalsContact SG-CE1 3.5Å
961	I	88.9	Confident	76.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.6	175.3	-57.5	-168.2	0	0	0	109.3	H799 V800 I802 I810 L814 I818 E965 F966	H799-I961 CarbonylContact C-O 3.41Å; H799-I961 WeakPolarHBondContact CA-O 3.32Å; V800-I961 PolarHBondContact N-O 3.21Å; V800-I961 PolarHBondContact O-N 3.45Å; I802-I961 HydrophobicContact CD1-CB 4.16Å; I802-I961 HydrophobicContact CD1-CD1 3.34Å; I802-I961 HydrophobicContact CD1-CG1 3.52Å; I810-I961 HydrophobicContact CG2-CD1 3.97Å; L814-I961 HydrophobicContact CB-CD1 3.91Å; L814-I961 HydrophobicContact CD2-CG2 4.19Å; I818-I961 HydrophobicContact CD1-CD1 3.8Å; I818-I961 HydrophobicContact CD1-CG1 4.01Å; I818-I961 HydrophobicContact CG1-CD1 4.36Å; I818-I961 HydrophobicContact CG2-CD1 4.45Å; I818-I961 HydrophobicContact CG2-CG1 3.72Å; I961-E965 HydrophobicContact CG2-CB 4.06Å; I961-E965 HydrophobicContact CG2-CG 4.38Å; I961-F966 HydrophobicContact CB-CE2 3.75Å; I961-F966 HydrophobicContact CB-CZ 3.81Å; I961-F966 HydrophobicContact CD1-CZ 4.37Å; I961-F966 HydrophobicContact CG2-CD2 4.26Å; I961-F966 HydrophobicContact CG2-CE2 3.59Å; I961-F966 HydrophobicContact CG2-CZ 3.9Å
962	P	89.2	Confident	79.2	Confident	37 Å²	37	58.4 Å²	58.4	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	144.9	174.7	-13.8	24.6	0	0	0	111.8	T964 E965 F966	P962-T964 PolarHBondContact O-N 2.92Å; P962-E965 HydrophobicContact CB-CG 4Å; P962-E965 HydrophobicContact CG-CG 4.04Å; P962-E965 PolarHBondContact O-N 3.33Å; P962-F966 WeakPolarHBondContact O-CD2 3.29Å
963	V	87.3	Confident	82.1	Confident	25 Å²	25	49.4 Å²	49.4	15%	0.152	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.3	-172.5	166.1	0	0	0	0	113.3	R767 D798 H799 V800 E965	R767-V963 VanDerWaalsContact CZ-CG1 3.49Å; R767-V963 VanDerWaalsContact NH2-CG1 3.35Å; D798-V963 VanDerWaalsContact C-CG2 3.4Å; D798-V963 VanDerWaalsContact O-CB 3.22Å; D798-V963 WeakPolarHBondContact O-CB 3.4Å; D798-V963 WeakPolarHBondContact O-CG2 3.44Å; D798-V963 PolarHBondContact O-N 3.45Å; H799-V963 WeakPolarHBondContact O-CG2 3.5Å; V800-V963 HydrophobicContact CG2-CG2 3.82Å; V963-E965 VanDerWaalsContact C-N 3.32Å
964	T	89.9	Confident	84.8	Confident	89 Å²	89	42.7 Å²	42.7	55%	0.546	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.1	176.5	47.7	0	0	0	0	113.7	P962	P962-T964 PolarHBondContact O-N 2.92Å
965	E	92.3	Very high	87.4	Confident	63 Å²	63	38 Å²	38	29%	0.294	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-25.5	-171.3	-52.1	-53.8	110.9	0	0	112.3	L814 N817 I961 P962 V963 T967	L814-E965 HydrophobicContact CD2-CB 3.63Å; L814-E965 VanDerWaalsContact CD2-O 3.3Å; L814-E965 WeakPolarHBondContact CD2-O 3.49Å; N817-E965 VanDerWaalsContact ND2-CG 3.32Å; N817-E965 WeakPolarHBondContact ND2-CG 3.44Å; N817-E965 PolarHBondContact ND2-OE2 2.97Å; I961-E965 HydrophobicContact CG2-CB 4.06Å; I961-E965 HydrophobicContact CG2-CG 4.38Å; P962-E965 HydrophobicContact CB-CG 4Å; P962-E965 HydrophobicContact CG-CG 4.04Å; P962-E965 PolarHBondContact O-N 3.33Å; V963-E965 VanDerWaalsContact C-N 3.32Å; E965-T967 PolarHBondContact O-N 3.39Å
966	F	94	Very high	89.7	Confident	7 Å²	7	31.3 Å²	31.3	3%	0.031	16%	0.162	C	C	.	.			trans	-69.6	129.8	179.5	-67.8	-88.9	0	0	0	110.9	I765 R767 V800 I802 L814 I961 P962	I765-F966 WeakPolarHBondContact CD1-O 3.34Å; I765-F966 HydrophobicContact CG2-CB 4.03Å; R767-F966 HydrophobicContact CB-CB 4.46Å; R767-F966 HydrophobicContact CB-CD1 3.67Å; R767-F966 HydrophobicContact CB-CD2 4.3Å; R767-F966 HydrophobicContact CB-CE1 3.84Å; R767-F966 HydrophobicContact CB-CE2 4.45Å; R767-F966 HydrophobicContact CB-CG 3.89Å; R767-F966 HydrophobicContact CB-CZ 4.21Å; R767-F966 HydrophobicContact CG-CB 3.92Å; R767-F966 HydrophobicContact CG-CD1 4.09Å; R767-F966 HydrophobicContact CG-CD2 4.22Å; R767-F966 HydrophobicContact CG-CG 3.82Å; R767-F966 WeakPolarHBondContact O-CE1 3.37Å; V800-F966 HydrophobicContact CB-CE2 3.73Å; V800-F966 HydrophobicContact CB-CZ 3.81Å; V800-F966 HydrophobicContact CG1-CE2 4.41Å; V800-F966 HydrophobicContact CG1-CZ 4.04Å; V800-F966 HydrophobicContact CG2-CD2 4.14Å; V800-F966 HydrophobicContact CG2-CE2 3.44Å; V800-F966 VanDerWaalsContact CG2-CE2 3.44Å; V800-F966 HydrophobicContact CG2-CZ 3.9Å; I802-F966 HydrophobicContact CD1-CE1 4.49Å; I802-F966 HydrophobicContact CD1-CZ 4.01Å; L814-F966 HydrophobicContact CD1-CD1 3.62Å; L814-F966 HydrophobicContact CD1-CE1 3.7Å; L814-F966 HydrophobicContact CD1-CG 4.42Å; I961-F966 HydrophobicContact CB-CE2 3.75Å; I961-F966 HydrophobicContact CB-CZ 3.81Å; I961-F966 HydrophobicContact CD1-CZ 4.37Å; I961-F966 HydrophobicContact CG2-CD2 4.26Å; I961-F966 HydrophobicContact CG2-CE2 3.59Å; I961-F966 HydrophobicContact CG2-CZ 3.9Å; P962-F966 WeakPolarHBondContact O-CD2 3.29Å
967	T	95.4	Very high	91.6	Very high	47 Å²	47	26.7 Å²	26.7	29%	0.288	14%	0.142	S	C	.	.			trans	-122.7	164.9	177.7	63	0	0	0	0	111	E965 F969 S970 D971	E965-T967 PolarHBondContact O-N 3.39Å; T967-F969 PolarHBondContact O-N 2.77Å; T967-F969 PolarHBondContact OG1-N 2.95Å; T967-S970 PolarHBondContact N-OG 2.82Å; T967-S970 VanDerWaalsContact N-OG 3.08Å; T967-S970 PolarHBondContact O-N 2.97Å; T967-S970 PolarHBondContact O-OG 3.12Å; T967-S970 PolarHBondContact OG1-N 2.83Å; T967-S970 VanDerWaalsContact OG1-N 3.12Å; T967-D971 PolarHBondContact O-N 2.87Å
968	T	96.3	Very high	92.9	Very high	34 Å²	34	21.3 Å²	21.3	21%	0.209	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-31.3	167.8	50.4	0	0	0	0	112.1	H758 P763 I765 D971 I972	H758-T968 HydrophobicContact CB-CG2 4.2Å; H758-T968 PolarHBondContact CE1-O 2.84Å; P763-T968 HydrophobicContact CB-CG2 3.8Å; P763-T968 HydrophobicContact CG-CG2 4.44Å; I765-T968 HydrophobicContact CG1-CG2 4.31Å; T968-D971 WeakPolarHBondContact O-CB 3.25Å; T968-D971 PolarHBondContact O-N 3.47Å; T968-I972 WeakPolarHBondContact O-CD1 3.36Å; T968-I972 WeakPolarHBondContact O-CG1 3.46Å; T968-I972 PolarHBondContact O-N 3.21Å
969	F	97.4	Very high	93.7	Very high	71 Å²	71	20.9 Å²	20.9	31%	0.311	12%	0.115	S	C	.	.	H	α-helix	trans	-68.6	-29.5	174.1	-56.2	-68.5	0	0	0	113.7	T967 I972 F973 P1030 R1033	T967-F969 PolarHBondContact O-N 2.77Å; T967-F969 PolarHBondContact OG1-N 2.95Å; F969-I972 HydrophobicContact CD1-CD1 4.14Å; F969-I972 PolarHBondContact O-N 2.77Å; F969-F973 PolarHBondContact O-N 3.14Å; F969-F973 VanDerWaalsContact O-N 3.11Å; F969-P1030 HydrophobicContact CB-CB 3.68Å; F969-P1030 WeakPolarHBondContact CD1-O 3.19Å; F969-P1030 HydrophobicContact CD2-CB 4.2Å; F969-P1030 HydrophobicContact CG-CB 4Å; F969-P1030 WeakPolarHBondContact CG-O 3.22Å; F969-R1033 HydrophobicContact CD1-CB 4.29Å; F969-R1033 WeakPolarHBondContact O-CD 3.4Å; F969-R1033 PolarHBondContact O-NH1 3.34Å
970	S	96.6	Very high	94.3	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-71.9	-38.5	173.2	72.1	0	0	0	0	112.1	T967 I972 F973 A974	T967-S970 PolarHBondContact N-OG 2.82Å; T967-S970 VanDerWaalsContact N-OG 3.08Å; T967-S970 PolarHBondContact O-N 2.97Å; T967-S970 PolarHBondContact O-OG 3.12Å; T967-S970 PolarHBondContact OG1-N 2.83Å; T967-S970 VanDerWaalsContact OG1-N 3.12Å; S970-I972 VanDerWaalsContact C-N 3.32Å; S970-I972 PolarHBondContact O-N 3.4Å; S970-F973 PolarHBondContact O-N 2.76Å; S970-A974 PolarHBondContact O-N 3.21Å
971	D	96.9	Very high	94.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-39	169.5	-79.6	-11.6	0	0	0	111.3	M754 H758 I765 I766 R767 T967 T968 A974 F975	M754-D971 HydrophobicContact CE-CB 3.74Å; M754-D971 WeakPolarHBondContact CE-O 3.21Å; H758-D971 IonicContact CD2-OD2 2.72Å; H758-D971 IonicContact CE1-OD2 2.72Å; H758-D971 IonicContact NE2-OD2 3.49Å; H758-D971 PolarHBondContact NE2-OD2 2.95Å; I765-D971 WeakPolarHBondContact CA-OD2 3.47Å; I765-D971 WeakPolarHBondContact CG2-OD2 3.15Å; I766-D971 WeakPolarHBondContact CB-OD1 3.36Å; I766-D971 PolarHBondContact N-OD1 3.48Å; I766-D971 PolarHBondContact N-OD2 2.89Å; R767-D971 PolarHBondContact N-OD1 3.16Å; T967-D971 PolarHBondContact O-N 2.87Å; T968-D971 WeakPolarHBondContact O-CB 3.25Å; T968-D971 PolarHBondContact O-N 3.47Å; D971-A974 PolarHBondContact O-N 3.04Å; D971-F975 PolarHBondContact O-N 2.88Å
972	I	97.9	Very high	95	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-38.4	176	-71.4	155.6	0	0	0	111.8	T968 F969 S970 F975 G976 C1025 R1033 P1034 M1036 I1039	T968-I972 WeakPolarHBondContact O-CD1 3.36Å; T968-I972 WeakPolarHBondContact O-CG1 3.46Å; T968-I972 PolarHBondContact O-N 3.21Å; F969-I972 HydrophobicContact CD1-CD1 4.14Å; F969-I972 PolarHBondContact O-N 2.77Å; S970-I972 VanDerWaalsContact C-N 3.32Å; S970-I972 PolarHBondContact O-N 3.4Å; I972-F975 WeakPolarHBondContact O-CB 3.37Å; I972-F975 PolarHBondContact O-N 3.03Å; I972-G976 PolarHBondContact O-N 2.86Å; I972-C1025 HydrophobicContact CG2-CB 4.06Å; I972-R1033 HydrophobicContact CG2-CB 3.86Å; I972-P1034 VanDerWaalsContact CD1-O 3.25Å; I972-P1034 WeakPolarHBondContact CD1-O 3.09Å; I972-M1036 HydrophobicContact CG1-CE 3.72Å; I972-I1039 HydrophobicContact CG1-CD1 4.27Å; I972-I1039 HydrophobicContact CG2-CD1 3.93Å
973	F	97.4	Very high	95.2	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-44.8	175.5	-171.7	-84.4	0	0	0	111.6	I810 A811 P812 F969 S970 F975 G976 T977 L1001 W1026	I810-F973 WeakPolarHBondContact O-CE1 3.23Å; A811-F973 HydrophobicContact CB-CB 3.65Å; A811-F973 HydrophobicContact CB-CD1 3.93Å; A811-F973 HydrophobicContact CB-CD2 4.11Å; A811-F973 HydrophobicContact CB-CG 3.62Å; P812-F973 HydrophobicContact CG-CE2 4.23Å; F969-F973 PolarHBondContact O-N 3.14Å; F969-F973 VanDerWaalsContact O-N 3.11Å; S970-F973 PolarHBondContact O-N 2.76Å; F973-F975 VanDerWaalsContact C-N 3.29Å; F973-F975 PolarHBondContact O-N 3.21Å; F973-G976 WeakPolarHBondContact O-CA 3.5Å; F973-G976 PolarHBondContact O-N 2.57Å; F973-T977 PolarHBondContact O-N 3.28Å; F973-T977 VanDerWaalsContact O-N 3.09Å; F973-L1001 HydrophobicContact CZ-CD2 4.4Å; F973-W1026 HydrophobicContact CD2-CB 4.47Å; F973-W1026 AromaticContact CD2-CD1 3.69Å; F973-W1026 HydrophobicContact CD2-CG 4.41Å; F973-W1026 AromaticContact CE1-CD1 3.95Å; F973-W1026 HydrophobicContact CE2-CB 4.09Å; F973-W1026 AromaticContact CE2-CD1 3.52Å; F973-W1026 HydrophobicContact CE2-CG 4.02Å; F973-W1026 AromaticContact CG-CD1 3.96Å; F973-W1026 AromaticContact CZ-CD1 3.65Å; F973-W1026 HydrophobicContact CZ-CG 4.3Å; F973-W1026 PolarHBondContact O-NE1 3.23Å
974	A	96.7	Very high	95.5	Very high	6 Å²	6	16.7 Å²	16.7	5%	0.05	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-35.3	174.8	0	0	0	0	0	112.4	L769 Y809 S970 D971 G976 T977 I978	L769-A974 HydrophobicContact CB-CB 4.02Å; L769-A974 HydrophobicContact CD2-CB 4.21Å; L769-A974 HydrophobicContact CG-CB 4.29Å; Y809-A974 HydrophobicContact CD1-CB 4.46Å; S970-A974 PolarHBondContact O-N 3.21Å; D971-A974 PolarHBondContact O-N 3.04Å; A974-G976 VanDerWaalsContact C-N 3.34Å; A974-T977 PolarHBondContact O-N 3.05Å; A974-I978 PolarHBondContact O-N 3.08Å
975	F	97.5	Very high	95.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-38.6	170.6	-174.8	-88.3	0	0	0	112	L747 L750 A751 M754 L769 D971 I972 F973 T977 I978 I979 M1036 I1039 L1043	L747-F975 HydrophobicContact CB-CZ 4.44Å; L747-F975 HydrophobicContact CD2-CE1 4.41Å; L747-F975 HydrophobicContact CD2-CE2 4.4Å; L747-F975 HydrophobicContact CD2-CZ 3.99Å; L750-F975 HydrophobicContact CB-CE2 4Å; L750-F975 HydrophobicContact CD2-CD2 3.6Å; L750-F975 HydrophobicContact CD2-CE2 3.65Å; L750-F975 HydrophobicContact CG-CD2 3.92Å; L750-F975 HydrophobicContact CG-CE2 3.76Å; A751-F975 HydrophobicContact CB-CE2 4.17Å; A751-F975 HydrophobicContact CB-CZ 4.03Å; M754-F975 HydrophobicContact CE-CB 4.26Å; M754-F975 HydrophobicContact SD-CB 4.23Å; M754-F975 HydrophobicContact SD-CD2 3.55Å; M754-F975 VanDerWaalsContact SD-CD2 3.55Å; M754-F975 HydrophobicContact SD-CE2 4.33Å; M754-F975 HydrophobicContact SD-CG 4.27Å; L769-F975 HydrophobicContact CD2-CB 4.27Å; D971-F975 PolarHBondContact O-N 2.88Å; I972-F975 WeakPolarHBondContact O-CB 3.37Å; I972-F975 PolarHBondContact O-N 3.03Å; F973-F975 VanDerWaalsContact C-N 3.29Å; F973-F975 PolarHBondContact O-N 3.21Å; F975-T977 VanDerWaalsContact C-N 3.33Å; F975-T977 PolarHBondContact O-N 3.22Å; F975-I978 PolarHBondContact O-N 2.96Å; F975-I978 VanDerWaalsContact O-N 3.14Å; F975-I979 HydrophobicContact CD1-CD1 3.96Å; F975-I979 HydrophobicContact CD1-CG1 4.22Å; F975-I979 HydrophobicContact CE1-CD1 3.8Å; F975-I979 HydrophobicContact CE1-CG1 4Å; F975-I979 PolarHBondContact O-N 2.78Å; F975-M1036 HydrophobicContact CG-CE 4.45Å; F975-I1039 HydrophobicContact CD1-CD1 4.4Å; F975-I1039 HydrophobicContact CD1-CG2 4.09Å; F975-I1039 HydrophobicContact CE1-CG2 3.36Å; F975-I1039 HydrophobicContact CZ-CG2 3.77Å; F975-L1043 HydrophobicContact CE1-CD1 4.4Å; F975-L1043 HydrophobicContact CZ-CD1 3.96Å
976	G	97	Very high	95.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.4	-45.6	169.8	0	0	0	0	0	112.6	I972 F973 A974 I978 I979 F980	I972-G976 PolarHBondContact O-N 2.86Å; F973-G976 WeakPolarHBondContact O-CA 3.5Å; F973-G976 PolarHBondContact O-N 2.57Å; A974-G976 VanDerWaalsContact C-N 3.34Å; G976-I978 VanDerWaalsContact C-N 3.3Å; G976-I978 PolarHBondContact O-N 2.88Å; G976-I979 WeakPolarHBondContact O-CB 3.36Å; G976-I979 PolarHBondContact O-N 2.72Å; G976-I979 VanDerWaalsContact O-N 3.1Å; G976-F980 PolarHBondContact O-N 2.92Å; G976-F980 VanDerWaalsContact O-N 3.16Å
977	T	95.9	Very high	95	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-34.6	175.7	-59.8	0	0	0	0	112.5	K808 Y809 F973 A974 F975 F980 E981 P988 W1026	K808-T977 PolarHBondContact O-OG1 3.17Å; Y809-T977 HydrophobicContact CD1-CG2 3.66Å; Y809-T977 HydrophobicContact CE1-CG2 3.9Å; Y809-T977 HydrophobicContact CG-CG2 4.11Å; F973-T977 PolarHBondContact O-N 3.28Å; F973-T977 VanDerWaalsContact O-N 3.09Å; A974-T977 PolarHBondContact O-N 3.05Å; F975-T977 VanDerWaalsContact C-N 3.33Å; F975-T977 PolarHBondContact O-N 3.22Å; T977-F980 WeakPolarHBondContact O-CB 3.4Å; T977-F980 PolarHBondContact O-N 2.79Å; T977-E981 WeakPolarHBondContact O-CB 3.14Å; T977-E981 PolarHBondContact O-N 3.42Å; T977-P988 HydrophobicContact CG2-CG 4.09Å; T977-W1026 PolarHBondContact OG1-NE1 3.3Å; T977-W1026 VanDerWaalsContact OG1-NE1 3.12Å
978	I	96.4	Very high	94.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.9	-33.9	173.5	-68.5	171.4	0	0	0	112	L727 L747 L750 L769 I774 Y809 A974 F975 G976 I982	L727-I978 HydrophobicContact CD2-CG2 4.43Å; L747-I978 HydrophobicContact CD2-CG2 4.24Å; L750-I978 HydrophobicContact CD2-CD1 4.01Å; L750-I978 HydrophobicContact CD2-CG2 4.08Å; L769-I978 HydrophobicContact CD1-CD1 3.74Å; L769-I978 HydrophobicContact CD2-CD1 4.06Å; L769-I978 HydrophobicContact CG-CD1 3.62Å; I774-I978 HydrophobicContact CD1-CD1 3.82Å; Y809-I978 HydrophobicContact CD1-CG1 4.45Å; Y809-I978 HydrophobicContact CE1-CG1 3.86Å; A974-I978 PolarHBondContact O-N 3.08Å; F975-I978 PolarHBondContact O-N 2.96Å; F975-I978 VanDerWaalsContact O-N 3.14Å; G976-I978 VanDerWaalsContact C-N 3.3Å; G976-I978 PolarHBondContact O-N 2.88Å; I978-I982 HydrophobicContact CG2-CD1 3.58Å; I978-I982 HydrophobicContact CG2-CG1 4.12Å; I978-I982 VanDerWaalsContact O-CB 3.27Å; I978-I982 WeakPolarHBondContact O-CB 3.45Å; I978-I982 VanDerWaalsContact O-CG1 3.28Å; I978-I982 WeakPolarHBondContact O-CG1 3.42Å; I978-I982 PolarHBondContact O-N 2.83Å
979	I	96.1	Very high	94.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.1	-61.3	165.8	0	0	0	110.4	L747 F975 G976 N983 M1018 L1021 M1022	L747-I979 HydrophobicContact CD1-CG1 4.25Å; L747-I979 HydrophobicContact CD2-CG1 3.75Å; F975-I979 HydrophobicContact CD1-CD1 3.96Å; F975-I979 HydrophobicContact CD1-CG1 4.22Å; F975-I979 HydrophobicContact CE1-CD1 3.8Å; F975-I979 HydrophobicContact CE1-CG1 4Å; F975-I979 PolarHBondContact O-N 2.78Å; G976-I979 WeakPolarHBondContact O-CB 3.36Å; G976-I979 PolarHBondContact O-N 2.72Å; G976-I979 VanDerWaalsContact O-N 3.1Å; I979-N983 PolarHBondContact O-N 2.86Å; I979-N983 PolarHBondContact O-ND2 2.73Å; I979-M1018 HydrophobicContact CG2-CB 4.13Å; I979-L1021 HydrophobicContact CD1-CD2 4.09Å; I979-L1021 HydrophobicContact CD1-CG 3.94Å; I979-M1022 HydrophobicContact CB-CB 4.27Å; I979-M1022 HydrophobicContact CB-CG 4.39Å; I979-M1022 HydrophobicContact CD1-CB 4.42Å; I979-M1022 HydrophobicContact CG2-CB 3.97Å; I979-M1022 HydrophobicContact CG2-CG 4.41Å; I979-M1022 HydrophobicContact CG2-SD 4.48Å
980	F	95.5	Very high	93.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.3	-58.7	175.5	-176.2	-86.3	0	0	0	110.5	G976 T977 I982 N983 T984 Y987 P988 D1007 I1014 M1022 W1026	G976-F980 PolarHBondContact O-N 2.92Å; G976-F980 VanDerWaalsContact O-N 3.16Å; T977-F980 WeakPolarHBondContact O-CB 3.4Å; T977-F980 PolarHBondContact O-N 2.79Å; F980-I982 VanDerWaalsContact C-N 3.33Å; F980-I982 PolarHBondContact O-N 3.09Å; F980-N983 PolarHBondContact O-N 3.34Å; F980-T984 HydrophobicContact CD1-CG2 3.97Å; F980-T984 WeakPolarHBondContact CD1-OG1 3.46Å; F980-T984 HydrophobicContact CD2-CG2 4.19Å; F980-T984 HydrophobicContact CE1-CG2 3.73Å; F980-T984 WeakPolarHBondContact CE1-OG1 3.29Å; F980-T984 HydrophobicContact CE2-CG2 3.98Å; F980-T984 HydrophobicContact CG-CG2 4.2Å; F980-T984 HydrophobicContact CZ-CG2 3.75Å; F980-T984 PolarHBondContact O-N 3.03Å; F980-T984 PolarHBondContact O-OG1 3.47Å; F980-T984 VanDerWaalsContact O-OG1 3.11Å; F980-Y987 VanDerWaalsContact CE1-C 3.42Å; F980-P988 HydrophobicContact CB-CG 4.43Å; F980-P988 HydrophobicContact CD1-CG 3.8Å; F980-P988 HydrophobicContact CE1-CB 4.47Å; F980-P988 HydrophobicContact CE1-CG 4.12Å; F980-P988 VanDerWaalsContact CE1-N 3.34Å; F980-P988 HydrophobicContact CG-CG 4.02Å; F980-D1007 HydrophobicContact CE2-CB 4.01Å; F980-D1007 WeakPolarHBondContact CE2-O 3.46Å; F980-D1007 WeakPolarHBondContact CE2-OD1 3.49Å; F980-D1007 HydrophobicContact CZ-CB 4.31Å; F980-D1007 WeakPolarHBondContact CZ-OD2 3.42Å; F980-I1014 HydrophobicContact CD2-CD1 4.47Å; F980-M1022 HydrophobicContact CB-SD 3.66Å; F980-M1022 HydrophobicContact CD2-CE 4.27Å; F980-M1022 HydrophobicContact CD2-SD 3.89Å; F980-M1022 HydrophobicContact CG-SD 4.28Å; F980-W1026 HydrophobicContact CB-CH2 3.74Å; F980-W1026 HydrophobicContact CB-CZ2 3.97Å; F980-W1026 AromaticContact CD2-CH2 3.6Å; F980-W1026 HydrophobicContact CD2-CH2 3.6Å; F980-W1026 HydrophobicContact CD2-CZ3 4.24Å; F980-W1026 HydrophobicContact CE2-CH2 4.42Å; F980-W1026 AromaticContact CG-CH2 3.86Å; F980-W1026 HydrophobicContact CG-CH2 3.86Å; F980-W1026 HydrophobicContact CG-CZ2 4.44Å
981	E	94.8	Very high	92.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.2	-41.2	-174.3	-169.1	-165.8	-167.2	0	0	112.9	L731 H732 S771 Y809 T977 N983 R985	L731-E981 HydrophobicContact CD1-CG 3.88Å; H732-E981 IonicContact CD2-OE1 3.68Å; H732-E981 PolarHBondContact CD2-OE1 3.16Å; H732-E981 IonicContact CE1-OE1 3.93Å; H732-E981 IonicContact NE2-OE1 3.69Å; H732-E981 PolarHBondContact NE2-OE1 3.22Å; S771-E981 VanDerWaalsContact CB-OE1 3.28Å; S771-E981 WeakPolarHBondContact CB-OE1 3.42Å; S771-E981 WeakPolarHBondContact CB-OE2 3.31Å; S771-E981 VanDerWaalsContact OG-CD 3.32Å; S771-E981 PolarHBondContact OG-OE1 3.04Å; S771-E981 PolarHBondContact OG-OE2 3.46Å; Y809-E981 PolarHBondContact OH-OE1 3.35Å; Y809-E981 PolarHBondContact OH-OE2 2.88Å; T977-E981 WeakPolarHBondContact O-CB 3.14Å; T977-E981 PolarHBondContact O-N 3.42Å; E981-N983 VanDerWaalsContact C-N 3.25Å; E981-N983 PolarHBondContact O-N 3.19Å; E981-R985 VanDerWaalsContact O-CA 3.27Å; E981-R985 WeakPolarHBondContact O-CA 3.18Å; E981-R985 PolarHBondContact O-N 3.06Å
982	I	95	Very high	91.9	Very high	4 Å²	4	23 Å²	23	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-28.2	176.5	-77.4	177.3	0	0	0	112.5	L727 L731 L738 R743 L747 I978 F980	L727-I982 HydrophobicContact CD1-CG1 4.41Å; L727-I982 HydrophobicContact CD2-CD1 3.87Å; L727-I982 HydrophobicContact CD2-CG1 3.92Å; L731-I982 HydrophobicContact CD1-CG1 4.12Å; L738-I982 HydrophobicContact CD1-CG2 4.42Å; R743-I982 HydrophobicContact CB-CG2 3.64Å; R743-I982 HydrophobicContact CG-CG2 3.55Å; L747-I982 HydrophobicContact CD2-CD1 3.86Å; L747-I982 HydrophobicContact CG-CD1 4.04Å; I978-I982 HydrophobicContact CG2-CD1 3.58Å; I978-I982 HydrophobicContact CG2-CG1 4.12Å; I978-I982 VanDerWaalsContact O-CB 3.27Å; I978-I982 WeakPolarHBondContact O-CB 3.45Å; I978-I982 VanDerWaalsContact O-CG1 3.28Å; I978-I982 WeakPolarHBondContact O-CG1 3.42Å; I978-I982 PolarHBondContact O-N 2.83Å; F980-I982 VanDerWaalsContact C-N 3.33Å; F980-I982 PolarHBondContact O-N 3.09Å
983	N	93.3	Very high	91.1	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-93.4	-37.5	-178.2	-76.6	-70.6	0	0	0	113.5	R743 I979 F980 E981 I1014 M1018	R743-N983 VanDerWaalsContact CD-OD1 3.29Å; R743-N983 WeakPolarHBondContact CD-OD1 3.31Å; R743-N983 PolarHBondContact NH1-OD1 2.94Å; I979-N983 PolarHBondContact O-N 2.86Å; I979-N983 PolarHBondContact O-ND2 2.73Å; F980-N983 PolarHBondContact O-N 3.34Å; E981-N983 VanDerWaalsContact C-N 3.25Å; E981-N983 PolarHBondContact O-N 3.19Å; N983-I1014 HydrophobicContact CB-CG1 4.07Å; N983-I1014 HydrophobicContact CB-CG2 4.23Å; N983-M1018 PolarHBondContact ND2-SD 3.38Å
984	T	92.2	Very high	90.3	Very high	5 Å²	5	27 Å²	27	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-90.3	-38.4	-177.6	63.3	0	0	0	0	112.7	F980 C986 Y1012 I1014	F980-T984 HydrophobicContact CD1-CG2 3.97Å; F980-T984 WeakPolarHBondContact CD1-OG1 3.46Å; F980-T984 HydrophobicContact CD2-CG2 4.19Å; F980-T984 HydrophobicContact CE1-CG2 3.73Å; F980-T984 WeakPolarHBondContact CE1-OG1 3.29Å; F980-T984 HydrophobicContact CE2-CG2 3.98Å; F980-T984 HydrophobicContact CG-CG2 4.2Å; F980-T984 HydrophobicContact CZ-CG2 3.75Å; F980-T984 PolarHBondContact O-N 3.03Å; F980-T984 PolarHBondContact O-OG1 3.47Å; F980-T984 VanDerWaalsContact O-OG1 3.11Å; T984-C986 VanDerWaalsContact C-N 3.33Å; T984-C986 WeakPolarHBondContact CB-SG 3.06Å; T984-C986 PolarHBondContact OG1-N 3.07Å; T984-C986 VanDerWaalsContact OG1-N 3.13Å; T984-C986 PolarHBondContact OG1-O 3.23Å; T984-C986 PolarHBondContact OG1-SG 2.9Å; T984-Y1012 HydrophobicContact CG2-CD1 4.18Å; T984-Y1012 HydrophobicContact CG2-CD2 3.46Å; T984-Y1012 VanDerWaalsContact CG2-CD2 3.46Å; T984-Y1012 HydrophobicContact CG2-CE2 3.97Å; T984-Y1012 HydrophobicContact CG2-CG 3.59Å; T984-I1014 HydrophobicContact CG2-CD1 4.08Å
985	R	91.3	Very high	89.6	Confident	92 Å²	92	28.8 Å²	28.8	35%	0.347	14%	0.139	S	C	.	.	S	Bend	trans	66.4	28	-163.6	-49.8	161.3	-62.5	138.7	19.3	113.9	L731 R735 E981	L731-R985 HydrophobicContact CD2-CG 4Å; R735-R985 PolarHBondContact O-NH1 2.74Å; E981-R985 VanDerWaalsContact O-CA 3.27Å; E981-R985 WeakPolarHBondContact O-CA 3.18Å; E981-R985 PolarHBondContact O-N 3.06Å
986	C	89.7	Confident	89	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.027	16%	0.159	C	C	.	.	S	Bend	trans	-134.6	173.5	168.2	61.7	0	0	0	0	109.5	T984 E990 Y1012	T984-C986 VanDerWaalsContact C-N 3.33Å; T984-C986 WeakPolarHBondContact CB-SG 3.06Å; T984-C986 PolarHBondContact OG1-N 3.07Å; T984-C986 VanDerWaalsContact OG1-N 3.13Å; T984-C986 PolarHBondContact OG1-O 3.23Å; T984-C986 PolarHBondContact OG1-SG 2.9Å; C986-E990 HydrophobicContact CB-CB 4.28Å; C986-E990 WeakPolarHBondContact CB-OE2 3.4Å; C986-Y1012 VanDerWaalsContact SG-CZ 3.59Å; C986-Y1012 PolarHBondContact SG-OH 3.27Å
987	Y	86.6	Confident	88.5	Confident	22 Å²	22	33.4 Å²	33.4	9%	0.086	16%	0.16	C	C	.	.			trans	-86.6	154.4	169.7	-66.9	-69.1	0	0	0	111.9	Y728 H732 K808 Y809 F980 Y989 E990	Y728-Y987 VanDerWaalsContact CE2-OH 3.3Å; Y728-Y987 WeakPolarHBondContact CE2-OH 3.43Å; H732-Y987 AromaticContact CE1-CE2 3.84Å; H732-Y987 AromaticContact NE2-CZ 3.9Å; K808-Y987 HydrophobicContact CD-CD1 4.45Å; K808-Y987 HydrophobicContact CD-CG 3.95Å; Y809-Y987 HydrophobicContact CE2-CD1 4.43Å; Y809-Y987 AromaticContact CE2-CE1 3.71Å; Y809-Y987 HydrophobicContact CE2-CE1 3.71Å; Y809-Y987 AromaticContact CZ-CE1 3.9Å; F980-Y987 VanDerWaalsContact CE1-C 3.42Å; Y987-Y989 PolarHBondContact O-N 2.79Å; Y987-E990 PolarHBondContact O-N 2.89Å
988	P	87.3	Confident	88	Confident	6 Å²	6	33.9 Å²	33.9	4%	0.039	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	134.7	166.1	-24.4	34.2	0	0	0	110.1	K808 T977 F980 E990 D1007 W1026	K808-P988 PolarHBondContact NZ-O 3.39Å; T977-P988 HydrophobicContact CG2-CG 4.09Å; F980-P988 HydrophobicContact CB-CG 4.43Å; F980-P988 HydrophobicContact CD1-CG 3.8Å; F980-P988 HydrophobicContact CE1-CB 4.47Å; F980-P988 HydrophobicContact CE1-CG 4.12Å; F980-P988 VanDerWaalsContact CE1-N 3.34Å; F980-P988 HydrophobicContact CG-CG 4.02Å; P988-E990 PolarHBondContact O-N 3.33Å; P988-D1007 HydrophobicContact CB-CB 4.05Å; P988-W1026 HydrophobicContact CB-CH2 4.31Å; P988-W1026 HydrophobicContact CB-CZ2 4.43Å; P988-W1026 HydrophobicContact CG-CH2 3.81Å; P988-W1026 HydrophobicContact CG-CZ2 3.64Å
989	Y	84.3	Confident	87.5	Confident	28 Å²	28	39.7 Å²	39.7	11%	0.11	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	49.9	-177.4	-51.4	-69.1	0	0	0	112.7	K808 Y987 E991 L992 Y1000 L1001 Q1005 R1006 D1007	K808-Y989 PolarHBondContact NZ-O 3.48Å; Y987-Y989 PolarHBondContact O-N 2.79Å; Y989-E991 PolarHBondContact O-N 2.77Å; Y989-L992 HydrophobicContact CD1-CD1 3.74Å; Y989-L992 HydrophobicContact CD1-CG 4.43Å; Y989-L992 HydrophobicContact CE1-CD1 4.49Å; Y989-L992 HydrophobicContact CG-CD1 4.05Å; Y989-L992 PolarHBondContact O-N 3.42Å; Y989-Y1000 AromaticContact CE1-CD1 3.93Å; Y989-Y1000 HydrophobicContact CE1-CD1 3.93Å; Y989-L1001 HydrophobicContact CE2-CD2 4.08Å; Y989-L1001 HydrophobicContact CE2-CG 4.29Å; Y989-Q1005 WeakPolarHBondContact OH-CB 3.37Å; Y989-Q1005 PolarHBondContact OH-O 2.96Å; Y989-R1006 VanDerWaalsContact OH-CA 3.23Å; Y989-R1006 WeakPolarHBondContact OH-CA 3.5Å; Y989-R1006 PolarHBondContact OH-N 3.4Å; Y989-R1006 VanDerWaalsContact OH-N 3.13Å; Y989-D1007 HydrophobicContact CD1-CB 4.25Å; Y989-D1007 HydrophobicContact CD2-CB 4.42Å; Y989-D1007 HydrophobicContact CE1-CB 4.08Å; Y989-D1007 HydrophobicContact CE2-CB 4.26Å; Y989-D1007 HydrophobicContact CG-CB 4.43Å; Y989-D1007 PolarHBondContact N-OD2 3.32Å; Y989-D1007 PolarHBondContact OH-N 3.19Å
990	E	82	Confident	87.1	Confident	99 Å²	99	43.7 Å²	43.7	46%	0.463	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.1	177.9	-176	161.6	-107.6	0	0	112.8	C986 Y987 P988	C986-E990 HydrophobicContact CB-CB 4.28Å; C986-E990 WeakPolarHBondContact CB-OE2 3.4Å; Y987-E990 PolarHBondContact O-N 2.89Å; P988-E990 PolarHBondContact O-N 3.33Å
991	E	80.2	Confident	86.7	Confident	159 Å²	159	44.2 Å²	44.2	74%	0.743	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.8	-179.4	-60.5	-176.1	-161.9	0	0	114.5	Y989	Y989-E991 PolarHBondContact O-N 2.77Å
992	L	82.8	Confident	86.3	Confident	41 Å²	41	45.9 Å²	45.9	22%	0.215	22%	0.215	C	C	.	.	S	Bend	trans	-91	145.5	177.6	-58.6	-172.5	0	0	0	111.1	L856 Y989 H996 C997 Y1000	L856-L992 HydrophobicContact CD2-CD2 4.44Å; Y989-L992 HydrophobicContact CD1-CD1 3.74Å; Y989-L992 HydrophobicContact CD1-CG 4.43Å; Y989-L992 HydrophobicContact CE1-CD1 4.49Å; Y989-L992 HydrophobicContact CG-CD1 4.05Å; Y989-L992 PolarHBondContact O-N 3.42Å; L992-H996 HydrophobicContact CB-CB 4.26Å; L992-H996 HydrophobicContact CD1-CB 4.38Å; L992-C997 HydrophobicContact CB-CB 4.45Å; L992-Y1000 HydrophobicContact CD1-CD1 4.38Å; L992-Y1000 HydrophobicContact CD1-CD2 4.37Å; L992-Y1000 HydrophobicContact CD1-CE1 4.48Å; L992-Y1000 HydrophobicContact CD1-CE2 4.46Å; L992-Y1000 HydrophobicContact CD1-CG 4.32Å
993	D	81.7	Confident	86	Confident	42 Å²	42	50.1 Å²	50.1	23%	0.225	24%	0.238	C	C	.	.			trans	-70.3	163.2	165.4	68.5	41.8	0	0	0	112.1	R863 C995 H996 C997	R863-D993 IonicContact CZ-OD2 3.73Å; R863-D993 IonicContact NH1-OD2 3.21Å; R863-D993 PolarHBondContact NH1-OD2 2.95Å; R863-D993 VanDerWaalsContact NH1-OD2 3.12Å; R863-D993 IonicContact NH2-OD2 2.9Å; R863-D993 PolarHBondContact NH2-OD2 2.75Å; D993-C995 VanDerWaalsContact C-N 3.28Å; D993-C995 PolarHBondContact O-N 2.94Å; D993-C995 PolarHBondContact OD1-N 3.18Å; D993-H996 PolarHBondContact O-N 3.47Å; D993-H996 IonicContact OD1-CE1 2.69Å; D993-H996 IonicContact OD1-CG 3.97Å; D993-H996 PolarHBondContact OD1-N 2.67Å; D993-H996 IonicContact OD1-ND1 3.71Å; D993-H996 PolarHBondContact OD1-ND1 3.01Å; D993-H996 IonicContact OD2-ND1 3.61Å; D993-C997 WeakPolarHBondContact O-CB 3.35Å; D993-C997 PolarHBondContact O-N 3.3Å
994	L	80.5	Confident	85.7	Confident	45 Å²	45	50.8 Å²	50.8	24%	0.236	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-39.3	-170.2	-176.9	58.9	0	0	0	112.4	L804 V807 C997 I998	L804-L994 HydrophobicContact CB-CD2 4.28Å; L804-L994 HydrophobicContact CD2-CD2 4.04Å; V807-L994 HydrophobicContact CB-CD1 4.03Å; V807-L994 HydrophobicContact CG1-CD1 3.95Å; L994-C997 PolarHBondContact O-N 2.79Å; L994-I998 HydrophobicContact CD1-CD1 3.82Å; L994-I998 HydrophobicContact CD1-CG1 4.16Å; L994-I998 HydrophobicContact CG-CD1 3.74Å; L994-I998 VanDerWaalsContact O-CD1 3.3Å; L994-I998 WeakPolarHBondContact O-CD1 3.44Å; L994-I998 VanDerWaalsContact O-CG1 3.24Å; L994-I998 WeakPolarHBondContact O-CG1 3.48Å; L994-I998 PolarHBondContact O-N 2.75Å
995	C	82.1	Confident	85.6	Confident	44 Å²	44	55 Å²	55	30%	0.297	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-44.2	-178.9	-48.5	0	0	0	0	111	C826 D993 K999	C826-C995 HydrophobicContact CB-CB 4.17Å; C826-C995 WeakPolarHBondContact CB-SG 3.2Å; C826-C995 WeakPolarHBondContact SG-CB 3.38Å; C826-C995 CovalentContact SG-SG 2.04Å; C826-C995 PolarHBondContact SG-SG 2.88Å; D993-C995 VanDerWaalsContact C-N 3.28Å; D993-C995 PolarHBondContact O-N 2.94Å; D993-C995 PolarHBondContact OD1-N 3.18Å; C995-K999 PolarHBondContact O-N 3.17Å; C995-K999 VanDerWaalsContact O-N 3.15Å
996	H	84.8	Confident	85.4	Confident	94 Å²	94	53 Å²	53	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-68.2	-43.2	174.2	-70.6	86.3	0	0	0	112.4	L992 D993 I998 K999 Y1000	L992-H996 HydrophobicContact CB-CB 4.26Å; L992-H996 HydrophobicContact CD1-CB 4.38Å; D993-H996 PolarHBondContact O-N 3.47Å; D993-H996 IonicContact OD1-CE1 2.69Å; D993-H996 IonicContact OD1-CG 3.97Å; D993-H996 PolarHBondContact OD1-N 2.67Å; D993-H996 IonicContact OD1-ND1 3.71Å; D993-H996 PolarHBondContact OD1-ND1 3.01Å; D993-H996 IonicContact OD2-ND1 3.61Å; H996-I998 VanDerWaalsContact C-N 3.34Å; H996-I998 PolarHBondContact O-N 2.67Å; H996-K999 PolarHBondContact O-N 3.15Å; H996-Y1000 WeakPolarHBondContact O-CD2 3.32Å; H996-Y1000 PolarHBondContact O-N 3.04Å
997	C	84.9	Confident	85.3	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-46.3	177	-180	0	0	0	0	111.8	L992 D993 L994 Y1000 L1001	L992-C997 HydrophobicContact CB-CB 4.45Å; D993-C997 WeakPolarHBondContact O-CB 3.35Å; D993-C997 PolarHBondContact O-N 3.3Å; L994-C997 PolarHBondContact O-N 2.79Å; C997-Y1000 PolarHBondContact O-N 2.76Å; C997-L1001 WeakPolarHBondContact O-CG 3.43Å; C997-L1001 PolarHBondContact O-N 2.79Å
998	I	85.5	Confident	85	Confident	11 Å²	11	55 Å²	55	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-43.3	177.2	-68.4	158.4	0	0	0	111.5	V807 I822 L994 H996 Y1000 L1001 L1002	V807-I998 HydrophobicContact CG1-CD1 4.16Å; V807-I998 HydrophobicContact CG1-CG1 4.16Å; I822-I998 HydrophobicContact CB-CD1 4.23Å; I822-I998 HydrophobicContact CD1-CD1 3.58Å; I822-I998 HydrophobicContact CG1-CD1 4.4Å; I822-I998 HydrophobicContact CG2-CD1 3.47Å; I822-I998 VanDerWaalsContact CG2-CD1 3.47Å; L994-I998 HydrophobicContact CD1-CD1 3.82Å; L994-I998 HydrophobicContact CD1-CG1 4.16Å; L994-I998 HydrophobicContact CG-CD1 3.74Å; L994-I998 VanDerWaalsContact O-CD1 3.3Å; L994-I998 WeakPolarHBondContact O-CD1 3.44Å; L994-I998 VanDerWaalsContact O-CG1 3.24Å; L994-I998 WeakPolarHBondContact O-CG1 3.48Å; L994-I998 PolarHBondContact O-N 2.75Å; H996-I998 VanDerWaalsContact C-N 3.34Å; H996-I998 PolarHBondContact O-N 2.67Å; I998-Y1000 VanDerWaalsContact C-N 3.34Å; I998-Y1000 PolarHBondContact O-N 2.9Å; I998-L1001 PolarHBondContact O-N 3.3Å; I998-L1002 HydrophobicContact CG2-CD1 3.77Å; I998-L1002 HydrophobicContact CG2-CG 4.21Å; I998-L1002 WeakPolarHBondContact O-CB 3.3Å; I998-L1002 WeakPolarHBondContact O-CG 3.4Å; I998-L1002 PolarHBondContact O-N 3.21Å
999	K	85.9	Confident	84.8	Confident	123 Å²	123	54.9 Å²	54.9	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-55.4	-51.1	175.4	177.3	174.6	177.4	-178.6	0	110.7	C995 H996 L1001 L1002 D1003	C995-K999 PolarHBondContact O-N 3.17Å; C995-K999 VanDerWaalsContact O-N 3.15Å; H996-K999 PolarHBondContact O-N 3.15Å; K999-L1001 VanDerWaalsContact C-N 3.33Å; K999-L1001 PolarHBondContact O-N 2.82Å; K999-L1002 PolarHBondContact O-N 3.44Å; K999-D1003 WeakPolarHBondContact CE-OD2 3.34Å; K999-D1003 VanDerWaalsContact CG-OD2 3.28Å; K999-D1003 WeakPolarHBondContact CG-OD2 3.42Å; K999-D1003 WeakPolarHBondContact O-CB 3.46Å; K999-D1003 PolarHBondContact O-N 3.02Å
1000	Y	87.8	Confident	84.6	Confident	84 Å²	84	63.6 Å²	63.6	33%	0.329	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-40.4	-179.9	-83.1	-124	0	0	0	112.3	Y989 L992 H996 C997 I998 G1004 Q1005	Y989-Y1000 AromaticContact CE1-CD1 3.93Å; Y989-Y1000 HydrophobicContact CE1-CD1 3.93Å; L992-Y1000 HydrophobicContact CD1-CD1 4.38Å; L992-Y1000 HydrophobicContact CD1-CD2 4.37Å; L992-Y1000 HydrophobicContact CD1-CE1 4.48Å; L992-Y1000 HydrophobicContact CD1-CE2 4.46Å; L992-Y1000 HydrophobicContact CD1-CG 4.32Å; H996-Y1000 WeakPolarHBondContact O-CD2 3.32Å; H996-Y1000 PolarHBondContact O-N 3.04Å; C997-Y1000 PolarHBondContact O-N 2.76Å; I998-Y1000 VanDerWaalsContact C-N 3.34Å; I998-Y1000 PolarHBondContact O-N 2.9Å; Y1000-G1004 PolarHBondContact O-N 2.88Å; Y1000-Q1005 HydrophobicContact CD1-CB 4.29Å; Y1000-Q1005 WeakPolarHBondContact O-CA 3.29Å; Y1000-Q1005 WeakPolarHBondContact O-CB 3.43Å; Y1000-Q1005 PolarHBondContact O-N 3.01Å
1001	L	87.1	Confident	84.6	Confident	10 Å²	10	63.1 Å²	63.1	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-39.6	177	-71.8	170.8	0	0	0	112.9	L815 F973 Y989 C997 I998 K999 G1004 R1006	L815-L1001 HydrophobicContact CD1-CB 3.9Å; L815-L1001 HydrophobicContact CD1-CD1 4.02Å; F973-L1001 HydrophobicContact CZ-CD2 4.4Å; Y989-L1001 HydrophobicContact CE2-CD2 4.08Å; Y989-L1001 HydrophobicContact CE2-CG 4.29Å; C997-L1001 WeakPolarHBondContact O-CG 3.43Å; C997-L1001 PolarHBondContact O-N 2.79Å; I998-L1001 PolarHBondContact O-N 3.3Å; K999-L1001 VanDerWaalsContact C-N 3.33Å; K999-L1001 PolarHBondContact O-N 2.82Å; L1001-G1004 PolarHBondContact O-N 2.63Å; L1001-R1006 PolarHBondContact O-NH1 3.15Å
1002	L	88	Confident	84.9	Confident	36 Å²	36	60 Å²	60	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-71.7	-40.3	176.3	-71.2	176.2	0	0	0	112.4	L815 L816 K819 I998 K999 G1004	L815-L1002 HydrophobicContact CB-CD2 3.82Å; L815-L1002 HydrophobicContact CB-CG 4.44Å; L816-L1002 HydrophobicContact CD2-CD2 3.83Å; L816-L1002 HydrophobicContact CG-CD2 3.93Å; K819-L1002 HydrophobicContact CD-CD1 3.97Å; K819-L1002 HydrophobicContact CG-CD1 4.29Å; I998-L1002 HydrophobicContact CG2-CD1 3.77Å; I998-L1002 HydrophobicContact CG2-CG 4.21Å; I998-L1002 WeakPolarHBondContact O-CB 3.3Å; I998-L1002 WeakPolarHBondContact O-CG 3.4Å; I998-L1002 PolarHBondContact O-N 3.21Å; K999-L1002 PolarHBondContact O-N 3.44Å; L1002-G1004 PolarHBondContact O-N 3.15Å
1003	D	88.1	Confident	85	Confident	93 Å²	93	64 Å²	64	50%	0.497	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	1.3	172.8	-65.4	-9.5	0	0	0	112.2	K999 Q1005	K999-D1003 WeakPolarHBondContact CE-OD2 3.34Å; K999-D1003 VanDerWaalsContact CG-OD2 3.28Å; K999-D1003 WeakPolarHBondContact CG-OD2 3.42Å; K999-D1003 WeakPolarHBondContact O-CB 3.46Å; K999-D1003 PolarHBondContact O-N 3.02Å; D1003-Q1005 VanDerWaalsContact C-N 3.29Å; D1003-Q1005 HydrophobicContact CB-CG 4.48Å; D1003-Q1005 PolarHBondContact O-N 3.27Å
1004	G	87.2	Confident	85.4	Confident	27 Å²	27	62.9 Å²	62.9	28%	0.278	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	1.7	176.5	0	0	0	0	0	115.4	Y1000 L1001 L1002 N1028	Y1000-G1004 PolarHBondContact O-N 2.88Å; L1001-G1004 PolarHBondContact O-N 2.63Å; L1002-G1004 PolarHBondContact O-N 3.15Å; G1004-N1028 VanDerWaalsContact CA-ND2 3.33Å; G1004-N1028 WeakPolarHBondContact CA-ND2 3.41Å; G1004-N1028 VanDerWaalsContact CA-OD1 3.3Å; G1004-N1028 WeakPolarHBondContact CA-OD1 3.22Å
1005	Q	88.8	Confident	85.9	Confident	94 Å²	94	62.2 Å²	62.2	44%	0.439	32%	0.321	S	S	.	.			trans	-69.6	150.4	176	-52.4	-166.6	23.2	0	0	110.6	Y989 Y1000 D1003	Y989-Q1005 WeakPolarHBondContact OH-CB 3.37Å; Y989-Q1005 PolarHBondContact OH-O 2.96Å; Y1000-Q1005 HydrophobicContact CD1-CB 4.29Å; Y1000-Q1005 WeakPolarHBondContact O-CA 3.29Å; Y1000-Q1005 WeakPolarHBondContact O-CB 3.43Å; Y1000-Q1005 PolarHBondContact O-N 3.01Å; D1003-Q1005 VanDerWaalsContact C-N 3.29Å; D1003-Q1005 HydrophobicContact CB-CG 4.48Å; D1003-Q1005 PolarHBondContact O-N 3.27Å
1006	R	88.5	Confident	86.3	Confident	49 Å²	49	64.5 Å²	64.5	19%	0.185	34%	0.338	C	S	.	.			trans	-134	142.4	174.6	-62	-63.6	179	-94.1	-6.2	110.2	Y989 L1001 D1008 W1026 N1028	Y989-R1006 VanDerWaalsContact OH-CA 3.23Å; Y989-R1006 WeakPolarHBondContact OH-CA 3.5Å; Y989-R1006 PolarHBondContact OH-N 3.4Å; Y989-R1006 VanDerWaalsContact OH-N 3.13Å; L1001-R1006 PolarHBondContact O-NH1 3.15Å; R1006-D1008 PolarHBondContact O-N 3.31Å; R1006-W1026 HydrophobicContact CB-CE3 4.12Å; R1006-W1026 HydrophobicContact CB-CZ3 4.41Å; R1006-W1026 HydrophobicContact CG-CB 4.34Å; R1006-W1026 HydrophobicContact CG-CE3 4.31Å; R1006-W1026 PolarHBondContact NE-O 2.83Å; R1006-W1026 PolarHBondContact NH2-O 3.06Å; R1006-N1028 PolarHBondContact NH2-OD1 3.5Å
1007	D	86.5	Confident	86.6	Confident	35 Å²	35	62.7 Å²	62.7	19%	0.187	33%	0.328	C	S	.	.			trans	-71.5	93.2	168.8	-172.3	-19.8	0	0	0	108.5	F980 P988 Y989 G1009 W1026	F980-D1007 HydrophobicContact CE2-CB 4.01Å; F980-D1007 WeakPolarHBondContact CE2-O 3.46Å; F980-D1007 WeakPolarHBondContact CE2-OD1 3.49Å; F980-D1007 HydrophobicContact CZ-CB 4.31Å; F980-D1007 WeakPolarHBondContact CZ-OD2 3.42Å; P988-D1007 HydrophobicContact CB-CB 4.05Å; Y989-D1007 HydrophobicContact CD1-CB 4.25Å; Y989-D1007 HydrophobicContact CD2-CB 4.42Å; Y989-D1007 HydrophobicContact CE1-CB 4.08Å; Y989-D1007 HydrophobicContact CE2-CB 4.26Å; Y989-D1007 HydrophobicContact CG-CB 4.43Å; Y989-D1007 PolarHBondContact N-OD2 3.32Å; Y989-D1007 PolarHBondContact OH-N 3.19Å; D1007-G1009 PolarHBondContact O-N 3.46Å; D1007-G1009 VanDerWaalsContact O-N 3.13Å; D1007-G1009 PolarHBondContact OD1-N 3.45Å; D1007-W1026 VanDerWaalsContact O-CZ3 3.29Å; D1007-W1026 WeakPolarHBondContact O-CZ3 3.42Å
1008	D	81.7	Confident	87	Confident	34 Å²	34	62.6 Å²	62.6	18%	0.182	33%	0.327	C	S	.	.			trans	-74.9	5	-178.3	85.1	-31.6	0	0	0	113.1	R1006 R1010 K1019	R1006-D1008 PolarHBondContact O-N 3.31Å; D1008-R1010 VanDerWaalsContact CG-NE 3.26Å; D1008-R1010 PolarHBondContact O-N 3.28Å; D1008-R1010 VanDerWaalsContact OD1-CD 3.27Å; D1008-R1010 WeakPolarHBondContact OD1-CD 3.3Å; D1008-R1010 WeakPolarHBondContact OD1-CG 3.42Å; D1008-R1010 IonicContact OD1-CZ 3.95Å; D1008-R1010 PolarHBondContact OD1-N 3.39Å; D1008-R1010 IonicContact OD1-NE 2.74Å; D1008-R1010 PolarHBondContact OD1-NE 3.26Å; D1008-R1010 IonicContact OD2-CZ 3.58Å; D1008-R1010 IonicContact OD2-NE 3.49Å; D1008-R1010 PolarHBondContact OD2-NE 3.34Å; D1008-R1010 IonicContact OD2-NH2 3.41Å; D1008-R1010 PolarHBondContact OD2-NH2 3.02Å; D1008-K1019 WeakPolarHBondContact O-CE 3.44Å; D1008-K1019 PolarHBondContact O-NZ 2.87Å; D1008-K1019 IonicContact OD1-NZ 3.86Å; D1008-K1019 IonicContact OD2-NZ 2.74Å; D1008-K1019 PolarHBondContact OD2-NZ 3.27Å
1009	G	82.2	Confident	87.3	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.021	34%	0.336	C	S	.	.			trans	67.4	27.3	174.1	0	0	0	0	0	114.7	D1007 A1011 Y1012	D1007-G1009 PolarHBondContact O-N 3.46Å; D1007-G1009 VanDerWaalsContact O-N 3.13Å; D1007-G1009 PolarHBondContact OD1-N 3.45Å; G1009-A1011 PolarHBondContact O-N 3.25Å; G1009-Y1012 PolarHBondContact O-N 2.9Å
1010	R	81.3	Confident	87.7	Confident	211 Å²	211	63.7 Å²	63.7	80%	0.796	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-33.4	178.7	-87.6	158.5	-151.9	-163.7	5.3	115.2	D1008 Y1012	D1008-R1010 VanDerWaalsContact CG-NE 3.26Å; D1008-R1010 PolarHBondContact O-N 3.28Å; D1008-R1010 VanDerWaalsContact OD1-CD 3.27Å; D1008-R1010 WeakPolarHBondContact OD1-CD 3.3Å; D1008-R1010 WeakPolarHBondContact OD1-CG 3.42Å; D1008-R1010 IonicContact OD1-CZ 3.95Å; D1008-R1010 PolarHBondContact OD1-N 3.39Å; D1008-R1010 IonicContact OD1-NE 2.74Å; D1008-R1010 PolarHBondContact OD1-NE 3.26Å; D1008-R1010 IonicContact OD2-CZ 3.58Å; D1008-R1010 IonicContact OD2-NE 3.49Å; D1008-R1010 PolarHBondContact OD2-NE 3.34Å; D1008-R1010 IonicContact OD2-NH2 3.41Å; D1008-R1010 PolarHBondContact OD2-NH2 3.02Å; R1010-Y1012 PolarHBondContact O-N 3.24Å
1011	A	81.2	Confident	88	Confident	90 Å²	90	59.8 Å²	59.8	74%	0.744	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.2	177.8	0	0	0	0	0	114.5	G1009	G1009-A1011 PolarHBondContact O-N 3.25Å
1012	Y	85.9	Confident	88.4	Confident	93 Å²	93	59.3 Å²	59.3	37%	0.365	32%	0.317	S	S	.	.	S	Bend	trans	-131.1	141.6	-169.9	-54.4	-78.4	0	0	0	112.6	T984 C986 G1009 R1010 I1014	T984-Y1012 HydrophobicContact CG2-CD1 4.18Å; T984-Y1012 HydrophobicContact CG2-CD2 3.46Å; T984-Y1012 VanDerWaalsContact CG2-CD2 3.46Å; T984-Y1012 HydrophobicContact CG2-CE2 3.97Å; T984-Y1012 HydrophobicContact CG2-CG 3.59Å; C986-Y1012 VanDerWaalsContact SG-CZ 3.59Å; C986-Y1012 PolarHBondContact SG-OH 3.27Å; G1009-Y1012 PolarHBondContact O-N 2.9Å; R1010-Y1012 PolarHBondContact O-N 3.24Å; Y1012-I1014 VanDerWaalsContact C-N 3.32Å; Y1012-I1014 PolarHBondContact O-N 2.67Å
1013	C	85.5	Confident	88.7	Confident	126 Å²	126	60.5 Å²	60.5	85%	0.851	33%	0.328	S	S	*	.			trans	-76.9	82.6	172.4	-171.8	0	0	0	0	110.7
1014	I	90.1	Very high	89.1	Confident	17 Å²	17	59.8 Å²	59.8	9%	0.087	32%	0.32	C	S	.	.			trans	-91.5	127	170.8	-51.8	-176.2	0	0	0	108.2	F980 N983 T984 Y1012 S1016 M1018 K1019 M1022	F980-I1014 HydrophobicContact CD2-CD1 4.47Å; N983-I1014 HydrophobicContact CB-CG1 4.07Å; N983-I1014 HydrophobicContact CB-CG2 4.23Å; T984-I1014 HydrophobicContact CG2-CD1 4.08Å; Y1012-I1014 VanDerWaalsContact C-N 3.32Å; Y1012-I1014 PolarHBondContact O-N 2.67Å; I1014-S1016 PolarHBondContact O-N 3.12Å; I1014-M1018 HydrophobicContact CG2-CB 4.1Å; I1014-K1019 HydrophobicContact CG2-CB 4.13Å; I1014-M1022 HydrophobicContact CD1-CE 4.24Å; I1014-M1022 HydrophobicContact CD1-SD 4.47Å
1015	P	91.5	Very high	89.5	Confident	31 Å²	31	58.5 Å²	58.5	20%	0.201	31%	0.307	C	S	.	.			trans	-57.6	136.1	177.2	-23.6	32.9	0	0	0	111.9	L740 Y1017 M1018 K1019	L740-P1015 HydrophobicContact CD1-CG 3.79Å; P1015-Y1017 VanDerWaalsContact C-N 3.31Å; P1015-Y1017 HydrophobicContact CB-CD1 3.97Å; P1015-Y1017 HydrophobicContact CB-CE1 3.58Å; P1015-Y1017 PolarHBondContact O-N 3.17Å; P1015-Y1017 VanDerWaalsContact O-N 3.15Å; P1015-M1018 HydrophobicContact CB-CB 4.42Å; P1015-M1018 HydrophobicContact CB-CG 4.34Å; P1015-M1018 HydrophobicContact CG-CG 4.48Å; P1015-M1018 HydrophobicContact CG-SD 4.21Å; P1015-M1018 WeakPolarHBondContact O-CA 3.4Å; P1015-M1018 WeakPolarHBondContact O-CB 3.46Å; P1015-M1018 PolarHBondContact O-N 3.02Å; P1015-K1019 PolarHBondContact O-N 2.83Å
1016	S	90.5	Very high	89.8	Confident	93 Å²	93	54.3 Å²	54.3	65%	0.65	29%	0.287	S	S	*	.	H	α-helix	trans	-55.2	-40.7	-169.5	-43.2	0	0	0	0	114	I1014 M1018 K1019 I1020	I1014-S1016 PolarHBondContact O-N 3.12Å; S1016-M1018 PolarHBondContact O-N 3.42Å; S1016-K1019 PolarHBondContact O-N 3.32Å; S1016-I1020 VanDerWaalsContact O-CG1 3.31Å; S1016-I1020 WeakPolarHBondContact O-CG1 3.41Å; S1016-I1020 PolarHBondContact O-N 2.8Å
1017	Y	90.6	Very high	90.2	Very high	56 Å²	56	53.2 Å²	53.2	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-35.3	175.9	72.8	-87.4	0	0	0	112.8	I744 P1015 L1021 S1046	I744-Y1017 VanDerWaalsContact CD1-OH 3.3Å; I744-Y1017 WeakPolarHBondContact CD1-OH 3.34Å; I744-Y1017 WeakPolarHBondContact CG1-OH 3.45Å; P1015-Y1017 VanDerWaalsContact C-N 3.31Å; P1015-Y1017 HydrophobicContact CB-CD1 3.97Å; P1015-Y1017 HydrophobicContact CB-CE1 3.58Å; P1015-Y1017 PolarHBondContact O-N 3.17Å; P1015-Y1017 VanDerWaalsContact O-N 3.15Å; Y1017-L1021 WeakPolarHBondContact O-CB 3.36Å; Y1017-L1021 PolarHBondContact O-N 2.98Å; Y1017-S1046 WeakPolarHBondContact CD2-OG 3.36Å
1018	M	93.5	Very high	90.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-39	172.7	-70.2	-167.3	171.2	0	0	111.3	L740 R743 I744 L747 I979 N983 I1014 P1015 S1016 L1021 M1022	L740-M1018 HydrophobicContact CD1-CE 4.11Å; R743-M1018 HydrophobicContact CB-CE 4.16Å; I744-M1018 HydrophobicContact CB-CE 4.44Å; I744-M1018 HydrophobicContact CG1-CE 3.54Å; L747-M1018 HydrophobicContact CD1-CE 3.84Å; L747-M1018 HydrophobicContact CD1-SD 4.26Å; I979-M1018 HydrophobicContact CG2-CB 4.13Å; N983-M1018 PolarHBondContact ND2-SD 3.38Å; I1014-M1018 HydrophobicContact CG2-CB 4.1Å; P1015-M1018 HydrophobicContact CB-CB 4.42Å; P1015-M1018 HydrophobicContact CB-CG 4.34Å; P1015-M1018 HydrophobicContact CG-CG 4.48Å; P1015-M1018 HydrophobicContact CG-SD 4.21Å; P1015-M1018 WeakPolarHBondContact O-CA 3.4Å; P1015-M1018 WeakPolarHBondContact O-CB 3.46Å; P1015-M1018 PolarHBondContact O-N 3.02Å; S1016-M1018 PolarHBondContact O-N 3.42Å; M1018-L1021 PolarHBondContact O-N 2.94Å; M1018-M1022 WeakPolarHBondContact O-CB 3.41Å; M1018-M1022 PolarHBondContact O-N 3.41Å
1019	K	92.3	Very high	91	Very high	58 Å²	58	56.1 Å²	56.1	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-44.2	175.1	-179.5	163.1	174.2	159.8	0	111.4	D1008 I1014 P1015 S1016 M1022 C1023	D1008-K1019 WeakPolarHBondContact O-CE 3.44Å; D1008-K1019 PolarHBondContact O-NZ 2.87Å; D1008-K1019 IonicContact OD1-NZ 3.86Å; D1008-K1019 IonicContact OD2-NZ 2.74Å; D1008-K1019 PolarHBondContact OD2-NZ 3.27Å; I1014-K1019 HydrophobicContact CG2-CB 4.13Å; P1015-K1019 PolarHBondContact O-N 2.83Å; S1016-K1019 PolarHBondContact O-N 3.32Å; K1019-M1022 HydrophobicContact CG-CE 4.39Å; K1019-M1022 PolarHBondContact O-N 3.26Å; K1019-C1023 WeakPolarHBondContact O-CB 3.33Å; K1019-C1023 PolarHBondContact O-N 3.36Å; K1019-C1023 PolarHBondContact O-SG 3.41Å
1020	I	93.2	Very high	91.7	Very high	98 Å²	98	57.8 Å²	57.8	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-49.3	174.1	-69	163.1	0	0	0	110.9	S1016 M1022 C1023 K1024	S1016-I1020 VanDerWaalsContact O-CG1 3.31Å; S1016-I1020 WeakPolarHBondContact O-CG1 3.41Å; S1016-I1020 PolarHBondContact O-N 2.8Å; I1020-M1022 PolarHBondContact O-N 3.27Å; I1020-C1023 PolarHBondContact O-N 2.83Å; I1020-K1024 HydrophobicContact CG2-CD 4.49Å; I1020-K1024 WeakPolarHBondContact O-CG 3.35Å; I1020-K1024 PolarHBondContact O-N 3.37Å
1021	L	95.2	Very high	92.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-41.7	178.8	-177.7	62.2	0	0	0	112.3	I979 Y1017 M1018 K1024 C1025 I1039 L1043	I979-L1021 HydrophobicContact CD1-CD2 4.09Å; I979-L1021 HydrophobicContact CD1-CG 3.94Å; Y1017-L1021 WeakPolarHBondContact O-CB 3.36Å; Y1017-L1021 PolarHBondContact O-N 2.98Å; M1018-L1021 PolarHBondContact O-N 2.94Å; L1021-K1024 WeakPolarHBondContact O-CB 3.46Å; L1021-K1024 PolarHBondContact O-N 2.85Å; L1021-C1025 PolarHBondContact O-N 3Å; L1021-C1025 PolarHBondContact O-SG 2.76Å; L1021-I1039 HydrophobicContact CD1-CG1 4.24Å; L1021-I1039 HydrophobicContact CD1-CG2 4.48Å; L1021-I1039 HydrophobicContact CD2-CG2 4.44Å; L1021-L1043 HydrophobicContact CD2-CD1 4.39Å; L1021-L1043 HydrophobicContact CD2-CD2 3.66Å; L1021-L1043 HydrophobicContact CD2-CG 3.75Å
1022	M	95.1	Very high	93	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-47.7	174.6	-176.8	-178.9	78.8	0	0	111.4	I979 F980 I1014 M1018 K1019 I1020 K1024 C1025 W1026	I979-M1022 HydrophobicContact CB-CB 4.27Å; I979-M1022 HydrophobicContact CB-CG 4.39Å; I979-M1022 HydrophobicContact CD1-CB 4.42Å; I979-M1022 HydrophobicContact CG2-CB 3.97Å; I979-M1022 HydrophobicContact CG2-CG 4.41Å; I979-M1022 HydrophobicContact CG2-SD 4.48Å; F980-M1022 HydrophobicContact CB-SD 3.66Å; F980-M1022 HydrophobicContact CD2-CE 4.27Å; F980-M1022 HydrophobicContact CD2-SD 3.89Å; F980-M1022 HydrophobicContact CG-SD 4.28Å; I1014-M1022 HydrophobicContact CD1-CE 4.24Å; I1014-M1022 HydrophobicContact CD1-SD 4.47Å; M1018-M1022 WeakPolarHBondContact O-CB 3.41Å; M1018-M1022 PolarHBondContact O-N 3.41Å; K1019-M1022 HydrophobicContact CG-CE 4.39Å; K1019-M1022 PolarHBondContact O-N 3.26Å; I1020-M1022 PolarHBondContact O-N 3.27Å; M1022-K1024 PolarHBondContact O-N 2.86Å; M1022-C1025 PolarHBondContact O-N 3.33Å; M1022-W1026 HydrophobicContact CE-CE3 4.32Å; M1022-W1026 HydrophobicContact CE-CH2 4.42Å; M1022-W1026 HydrophobicContact CE-CZ3 3.73Å; M1022-W1026 HydrophobicContact CG-CD2 4.09Å; M1022-W1026 HydrophobicContact CG-CE3 3.72Å; M1022-W1026 HydrophobicContact CG-CH2 4.18Å; M1022-W1026 HydrophobicContact CG-CZ2 4.49Å; M1022-W1026 HydrophobicContact CG-CZ3 3.76Å; M1022-W1026 WeakPolarHBondContact O-CB 3.45Å; M1022-W1026 PolarHBondContact O-N 2.71Å; M1022-W1026 HydrophobicContact SD-CE3 4.39Å; M1022-W1026 HydrophobicContact SD-CH2 4.02Å; M1022-W1026 HydrophobicContact SD-CZ3 3.82Å
1023	C	93.9	Very high	93.6	Very high	61 Å²	61	50.5 Å²	50.5	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-40.7	175.5	-69.1	0	0	0	0	112.6	K1019 I1020 W1026 S1027	K1019-C1023 WeakPolarHBondContact O-CB 3.33Å; K1019-C1023 PolarHBondContact O-N 3.36Å; K1019-C1023 PolarHBondContact O-SG 3.41Å; I1020-C1023 PolarHBondContact O-N 2.83Å; C1023-W1026 PolarHBondContact O-N 2.88Å; C1023-S1027 PolarHBondContact O-N 3.49Å
1024	K	95.4	Very high	94.2	Very high	77 Å²	77	45.3 Å²	45.3	34%	0.335	25%	0.248	S	C	.	.	H	α-helix	trans	-58.8	-47.7	172.8	-71	175.4	179.6	175	0	111.8	I1020 L1021 M1022 W1026 P1034 E1042	I1020-K1024 HydrophobicContact CG2-CD 4.49Å; I1020-K1024 WeakPolarHBondContact O-CG 3.35Å; I1020-K1024 PolarHBondContact O-N 3.37Å; L1021-K1024 WeakPolarHBondContact O-CB 3.46Å; L1021-K1024 PolarHBondContact O-N 2.85Å; M1022-K1024 PolarHBondContact O-N 2.86Å; K1024-W1026 PolarHBondContact O-N 3.22Å; K1024-P1034 HydrophobicContact CB-CG 3.92Å; K1024-P1034 WeakPolarHBondContact O-CD 3.24Å; K1024-E1042 IonicContact NZ-OE1 2.73Å; K1024-E1042 PolarHBondContact NZ-OE1 2.88Å; K1024-E1042 IonicContact NZ-OE2 2.68Å; K1024-E1042 PolarHBondContact NZ-OE2 3.46Å
1025	C	97.1	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-27.1	178.3	-67	0	0	0	0	113.3	I972 L1021 M1022 R1033	I972-C1025 HydrophobicContact CG2-CB 4.06Å; L1021-C1025 PolarHBondContact O-N 3Å; L1021-C1025 PolarHBondContact O-SG 2.76Å; M1022-C1025 PolarHBondContact O-N 3.33Å; C1025-R1033 VanDerWaalsContact O-CD 3.29Å; C1025-R1033 WeakPolarHBondContact O-CD 3.17Å
1026	W	95.7	Very high	94.7	Very high	6 Å²	6	46.3 Å²	46.3	2%	0.023	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.4	-175.6	-84.2	-16	0	0	0	115.8	F973 T977 F980 P988 R1006 D1007 M1022 C1023 K1024 N1028	F973-W1026 HydrophobicContact CD2-CB 4.47Å; F973-W1026 AromaticContact CD2-CD1 3.69Å; F973-W1026 HydrophobicContact CD2-CG 4.41Å; F973-W1026 AromaticContact CE1-CD1 3.95Å; F973-W1026 HydrophobicContact CE2-CB 4.09Å; F973-W1026 AromaticContact CE2-CD1 3.52Å; F973-W1026 HydrophobicContact CE2-CG 4.02Å; F973-W1026 AromaticContact CG-CD1 3.96Å; F973-W1026 AromaticContact CZ-CD1 3.65Å; F973-W1026 HydrophobicContact CZ-CG 4.3Å; F973-W1026 PolarHBondContact O-NE1 3.23Å; T977-W1026 PolarHBondContact OG1-NE1 3.3Å; T977-W1026 VanDerWaalsContact OG1-NE1 3.12Å; F980-W1026 HydrophobicContact CB-CH2 3.74Å; F980-W1026 HydrophobicContact CB-CZ2 3.97Å; F980-W1026 AromaticContact CD2-CH2 3.6Å; F980-W1026 HydrophobicContact CD2-CH2 3.6Å; F980-W1026 HydrophobicContact CD2-CZ3 4.24Å; F980-W1026 HydrophobicContact CE2-CH2 4.42Å; F980-W1026 AromaticContact CG-CH2 3.86Å; F980-W1026 HydrophobicContact CG-CH2 3.86Å; F980-W1026 HydrophobicContact CG-CZ2 4.44Å; P988-W1026 HydrophobicContact CB-CH2 4.31Å; P988-W1026 HydrophobicContact CB-CZ2 4.43Å; P988-W1026 HydrophobicContact CG-CH2 3.81Å; P988-W1026 HydrophobicContact CG-CZ2 3.64Å; R1006-W1026 HydrophobicContact CB-CE3 4.12Å; R1006-W1026 HydrophobicContact CB-CZ3 4.41Å; R1006-W1026 HydrophobicContact CG-CB 4.34Å; R1006-W1026 HydrophobicContact CG-CE3 4.31Å; R1006-W1026 PolarHBondContact NE-O 2.83Å; R1006-W1026 PolarHBondContact NH2-O 3.06Å; D1007-W1026 VanDerWaalsContact O-CZ3 3.29Å; D1007-W1026 WeakPolarHBondContact O-CZ3 3.42Å; M1022-W1026 HydrophobicContact CE-CE3 4.32Å; M1022-W1026 HydrophobicContact CE-CH2 4.42Å; M1022-W1026 HydrophobicContact CE-CZ3 3.73Å; M1022-W1026 HydrophobicContact CG-CD2 4.09Å; M1022-W1026 HydrophobicContact CG-CE3 3.72Å; M1022-W1026 HydrophobicContact CG-CH2 4.18Å; M1022-W1026 HydrophobicContact CG-CZ2 4.49Å; M1022-W1026 HydrophobicContact CG-CZ3 3.76Å; M1022-W1026 WeakPolarHBondContact O-CB 3.45Å; M1022-W1026 PolarHBondContact O-N 2.71Å; M1022-W1026 HydrophobicContact SD-CE3 4.39Å; M1022-W1026 HydrophobicContact SD-CH2 4.02Å; M1022-W1026 HydrophobicContact SD-CZ3 3.82Å; C1023-W1026 PolarHBondContact O-N 2.88Å; K1024-W1026 PolarHBondContact O-N 3.22Å; W1026-N1028 PolarHBondContact O-N 2.99Å
1027	S	94.9	Very high	94.9	Very high	27 Å²	27	46.3 Å²	46.3	19%	0.189	25%	0.249	C	C	.	.			trans	-47	134.7	174.7	170.9	0	0	0	0	112.4	C1023 D1029 R1033	C1023-S1027 PolarHBondContact O-N 3.49Å; S1027-D1029 WeakPolarHBondContact CB-O 3.46Å; S1027-D1029 PolarHBondContact OG-N 3.28Å; S1027-D1029 PolarHBondContact OG-O 3.42Å; S1027-R1033 PolarHBondContact O-NE 3.38Å; S1027-R1033 PolarHBondContact O-NH2 3.47Å
1028	N	92.7	Very high	95.2	Very high	77 Å²	77	47 Å²	47	41%	0.412	25%	0.254	S	S	.	.	S	Bend	trans	-52.8	-56.3	171.7	-86.2	25.5	0	0	0	110.3	G1004 R1006 W1026 P1030 R1033	G1004-N1028 VanDerWaalsContact CA-ND2 3.33Å; G1004-N1028 WeakPolarHBondContact CA-ND2 3.41Å; G1004-N1028 VanDerWaalsContact CA-OD1 3.3Å; G1004-N1028 WeakPolarHBondContact CA-OD1 3.22Å; R1006-N1028 PolarHBondContact NH2-OD1 3.5Å; W1026-N1028 PolarHBondContact O-N 2.99Å; N1028-P1030 VanDerWaalsContact O-CD 3.31Å; N1028-P1030 WeakPolarHBondContact O-CD 3.49Å; N1028-R1033 PolarHBondContact O-NH2 2.88Å; N1028-R1033 VanDerWaalsContact O-NH2 3.07Å
1029	D	93.3	Very high	95.4	Very high	52 Å²	52	47 Å²	47	28%	0.278	25%	0.254	S	S	.	.	S	Bend	trans	-65.4	116.3	174.7	179	-12.9	0	0	0	109.8	S1027 S1031 K1032	S1027-D1029 WeakPolarHBondContact CB-O 3.46Å; S1027-D1029 PolarHBondContact OG-N 3.28Å; S1027-D1029 PolarHBondContact OG-O 3.42Å; D1029-S1031 VanDerWaalsContact C-N 3.27Å; D1029-S1031 VanDerWaalsContact CG-OG 3.32Å; D1029-S1031 PolarHBondContact O-N 2.98Å; D1029-S1031 WeakPolarHBondContact OD1-CB 3.43Å; D1029-S1031 PolarHBondContact OD1-N 2.91Å; D1029-S1031 PolarHBondContact OD1-OG 3.26Å; D1029-S1031 PolarHBondContact OD2-OG 3.1Å; D1029-K1032 HydrophobicContact CB-CB 4.46Å; D1029-K1032 HydrophobicContact CB-CD 4.04Å; D1029-K1032 HydrophobicContact CB-CG 4.27Å; D1029-K1032 PolarHBondContact O-N 3.47Å; D1029-K1032 WeakPolarHBondContact OD2-CD 3.4Å; D1029-K1032 VanDerWaalsContact OD2-CE 3.24Å; D1029-K1032 WeakPolarHBondContact OD2-CE 3.26Å; D1029-K1032 IonicContact OD2-NZ 2.74Å; D1029-K1032 PolarHBondContact OD2-NZ 3.05Å
1030	P	95.9	Very high	95.5	Very high	38 Å²	38	45.3 Å²	45.3	25%	0.247	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.4	-33.9	179.6	-22.9	34.5	0	0	0	112.9	E813 F969 N1028 K1032 R1033	E813-P1030 HydrophobicContact CB-CG 4.46Å; E813-P1030 HydrophobicContact CG-CG 4.17Å; F969-P1030 HydrophobicContact CB-CB 3.68Å; F969-P1030 WeakPolarHBondContact CD1-O 3.19Å; F969-P1030 HydrophobicContact CD2-CB 4.2Å; F969-P1030 HydrophobicContact CG-CB 4Å; F969-P1030 WeakPolarHBondContact CG-O 3.22Å; N1028-P1030 VanDerWaalsContact O-CD 3.31Å; N1028-P1030 WeakPolarHBondContact O-CD 3.49Å; P1030-K1032 VanDerWaalsContact C-N 3.26Å; P1030-K1032 PolarHBondContact O-N 2.86Å; P1030-R1033 WeakPolarHBondContact O-CB 3.45Å; P1030-R1033 WeakPolarHBondContact O-CG 3.41Å; P1030-R1033 PolarHBondContact O-N 3.01Å; P1030-R1033 VanDerWaalsContact O-N 3.09Å
1031	S	95.3	Very high	95.5	Very high	86 Å²	86	44.7 Å²	44.7	60%	0.601	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-67.8	-25.2	-175	73.3	0	0	0	0	113.4	D1029 R1033	D1029-S1031 VanDerWaalsContact C-N 3.27Å; D1029-S1031 VanDerWaalsContact CG-OG 3.32Å; D1029-S1031 PolarHBondContact O-N 2.98Å; D1029-S1031 WeakPolarHBondContact OD1-CB 3.43Å; D1029-S1031 PolarHBondContact OD1-N 2.91Å; D1029-S1031 PolarHBondContact OD1-OG 3.26Å; D1029-S1031 PolarHBondContact OD2-OG 3.1Å; S1031-R1033 VanDerWaalsContact C-N 3.33Å
1032	K	96.2	Very high	95.5	Very high	150 Å²	150	46.1 Å²	46.1	65%	0.652	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-82.5	-6.8	176.1	-67.1	176.7	-178	122.7	0	113.4	D1029 P1030	D1029-K1032 HydrophobicContact CB-CB 4.46Å; D1029-K1032 HydrophobicContact CB-CD 4.04Å; D1029-K1032 HydrophobicContact CB-CG 4.27Å; D1029-K1032 PolarHBondContact O-N 3.47Å; D1029-K1032 WeakPolarHBondContact OD2-CD 3.4Å; D1029-K1032 VanDerWaalsContact OD2-CE 3.24Å; D1029-K1032 WeakPolarHBondContact OD2-CE 3.26Å; D1029-K1032 IonicContact OD2-NZ 2.74Å; D1029-K1032 PolarHBondContact OD2-NZ 3.05Å; P1030-K1032 VanDerWaalsContact C-N 3.26Å; P1030-K1032 PolarHBondContact O-N 2.86Å
1033	R	97.7	Very high	95.4	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.019	25%	0.25	C	C	.	.	S	Bend	trans	-75.7	133.2	176.6	-59.3	178.2	-166.3	148.8	14	109.5	E813 F969 I972 C1025 S1027 N1028 P1030 S1031	E813-R1033 IonicContact OE1-CZ 3.02Å; E813-R1033 IonicContact OE1-NH1 2.85Å; E813-R1033 PolarHBondContact OE1-NH1 3.05Å; E813-R1033 IonicContact OE1-NH2 3.36Å; E813-R1033 IonicContact OE2-CZ 2.79Å; E813-R1033 IonicContact OE2-NH1 3.86Å; E813-R1033 PolarHBondContact OE2-NH1 2.9Å; E813-R1033 IonicContact OE2-NH2 2.71Å; E813-R1033 PolarHBondContact OE2-NH2 3.28Å; F969-R1033 HydrophobicContact CD1-CB 4.29Å; F969-R1033 WeakPolarHBondContact O-CD 3.4Å; F969-R1033 PolarHBondContact O-NH1 3.34Å; I972-R1033 HydrophobicContact CG2-CB 3.86Å; C1025-R1033 VanDerWaalsContact O-CD 3.29Å; C1025-R1033 WeakPolarHBondContact O-CD 3.17Å; S1027-R1033 PolarHBondContact O-NE 3.38Å; S1027-R1033 PolarHBondContact O-NH2 3.47Å; N1028-R1033 PolarHBondContact O-NH2 2.88Å; N1028-R1033 VanDerWaalsContact O-NH2 3.07Å; P1030-R1033 WeakPolarHBondContact O-CB 3.45Å; P1030-R1033 WeakPolarHBondContact O-CG 3.41Å; P1030-R1033 PolarHBondContact O-N 3.01Å; P1030-R1033 VanDerWaalsContact O-N 3.09Å; S1031-R1033 VanDerWaalsContact C-N 3.33Å
1034	P	97.3	Very high	95.2	Very high	17 Å²	17	46.4 Å²	46.4	11%	0.11	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68.1	141.5	-174.9	27	-33.9	0	0	0	111.3	I972 K1024 K1038 I1039	I972-P1034 VanDerWaalsContact CD1-O 3.25Å; I972-P1034 WeakPolarHBondContact CD1-O 3.09Å; K1024-P1034 HydrophobicContact CB-CG 3.92Å; K1024-P1034 WeakPolarHBondContact O-CD 3.24Å; P1034-K1038 HydrophobicContact CB-CB 4.39Å; P1034-K1038 HydrophobicContact CB-CG 4.43Å; P1034-I1039 HydrophobicContact CB-CG1 4.12Å; P1034-I1039 HydrophobicContact CG-CD1 4.13Å; P1034-I1039 HydrophobicContact CG-CG1 3.79Å; P1034-I1039 WeakPolarHBondContact O-CD1 3.22Å
1035	S	96.7	Very high	94.7	Very high	65 Å²	65	47.4 Å²	47.4	46%	0.455	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-61.8	152.4	174	70.6	0	0	0	0	111.2	N1037 K1038 I1039	S1035-N1037 PolarHBondContact O-N 2.99Å; S1035-N1037 VanDerWaalsContact O-N 3.16Å; S1035-K1038 WeakPolarHBondContact O-CA 3.5Å; S1035-K1038 WeakPolarHBondContact O-CB 3.44Å; S1035-K1038 PolarHBondContact O-N 3.39Å; S1035-I1039 PolarHBondContact O-N 3.31Å
1036	M	96.6	Very high	93.6	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-28.6	-177.2	-162.2	59.6	52.8	0	0	113.4	A751 M754 T755 I972 F975 K1038 I1039 T1040	A751-M1036 HydrophobicContact CB-SD 3.95Å; A751-M1036 VanDerWaalsContact O-CG 3.31Å; A751-M1036 WeakPolarHBondContact O-CG 3.43Å; M754-M1036 HydrophobicContact CB-CE 3.89Å; M754-M1036 HydrophobicContact CB-CG 3.56Å; M754-M1036 HydrophobicContact CB-SD 3.82Å; M754-M1036 HydrophobicContact CE-CE 3.48Å; M754-M1036 VanDerWaalsContact CE-CE 3.48Å; M754-M1036 HydrophobicContact CG-CE 4.47Å; M754-M1036 HydrophobicContact SD-CE 3.76Å; M754-M1036 HydrophobicContact SD-SD 4.22Å; T755-M1036 WeakPolarHBondContact OG1-CG 3.3Å; T755-M1036 PolarHBondContact OG1-O 3.38Å; I972-M1036 HydrophobicContact CG1-CE 3.72Å; F975-M1036 HydrophobicContact CG-CE 4.45Å; M1036-K1038 VanDerWaalsContact C-N 3.34Å; M1036-K1038 PolarHBondContact O-N 3.15Å; M1036-I1039 HydrophobicContact CE-CD1 3.8Å; M1036-I1039 PolarHBondContact O-N 2.79Å; M1036-I1039 HydrophobicContact SD-CB 4.06Å; M1036-I1039 HydrophobicContact SD-CD1 3.92Å; M1036-I1039 HydrophobicContact SD-CG2 4.04Å; M1036-T1040 WeakPolarHBondContact O-CB 3.31Å; M1036-T1040 PolarHBondContact O-N 3.2Å; M1036-T1040 PolarHBondContact O-OG1 2.7Å
1037	N	95	Very high	92.1	Very high	93 Å²	93	50.6 Å²	50.6	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-59.8	-44.7	170.7	-61.8	17.8	0	0	0	110.9	T755 S1035 T1040 Q1041	T755-N1037 WeakPolarHBondContact CG2-OD1 3.44Å; S1035-N1037 PolarHBondContact O-N 2.99Å; S1035-N1037 VanDerWaalsContact O-N 3.16Å; N1037-T1040 PolarHBondContact O-N 3.48Å; N1037-Q1041 WeakPolarHBondContact O-CB 3.27Å; N1037-Q1041 PolarHBondContact O-N 3.42Å
1038	K	96	Very high	90.1	Very high	72 Å²	72	51 Å²	51	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-71.2	-36.6	179.2	-173	52	173.6	167.9	0	112.2	P1034 S1035 M1036 Q1041 E1042	P1034-K1038 HydrophobicContact CB-CB 4.39Å; P1034-K1038 HydrophobicContact CB-CG 4.43Å; S1035-K1038 WeakPolarHBondContact O-CA 3.5Å; S1035-K1038 WeakPolarHBondContact O-CB 3.44Å; S1035-K1038 PolarHBondContact O-N 3.39Å; M1036-K1038 VanDerWaalsContact C-N 3.34Å; M1036-K1038 PolarHBondContact O-N 3.15Å; K1038-Q1041 HydrophobicContact CD-CB 4.43Å; K1038-Q1041 WeakPolarHBondContact O-CB 3.45Å; K1038-Q1041 PolarHBondContact O-N 3.28Å; K1038-E1042 HydrophobicContact CD-CG 4.28Å; K1038-E1042 WeakPolarHBondContact CE-OE1 3.42Å; K1038-E1042 WeakPolarHBondContact O-CG 3.48Å; K1038-E1042 PolarHBondContact O-N 3.23Å
1039	I	97.1	Very high	88.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-47.3	171.4	-64.6	173.1	0	0	0	110.5	A751 I972 F975 L1021 P1034 S1035 M1036 Q1041 E1042 L1043	A751-I1039 HydrophobicContact CB-CG2 4.17Å; I972-I1039 HydrophobicContact CG1-CD1 4.27Å; I972-I1039 HydrophobicContact CG2-CD1 3.93Å; F975-I1039 HydrophobicContact CD1-CD1 4.4Å; F975-I1039 HydrophobicContact CD1-CG2 4.09Å; F975-I1039 HydrophobicContact CE1-CG2 3.36Å; F975-I1039 HydrophobicContact CZ-CG2 3.77Å; L1021-I1039 HydrophobicContact CD1-CG1 4.24Å; L1021-I1039 HydrophobicContact CD1-CG2 4.48Å; L1021-I1039 HydrophobicContact CD2-CG2 4.44Å; P1034-I1039 HydrophobicContact CB-CG1 4.12Å; P1034-I1039 HydrophobicContact CG-CD1 4.13Å; P1034-I1039 HydrophobicContact CG-CG1 3.79Å; P1034-I1039 WeakPolarHBondContact O-CD1 3.22Å; S1035-I1039 PolarHBondContact O-N 3.31Å; M1036-I1039 HydrophobicContact CE-CD1 3.8Å; M1036-I1039 PolarHBondContact O-N 2.79Å; M1036-I1039 HydrophobicContact SD-CB 4.06Å; M1036-I1039 HydrophobicContact SD-CD1 3.92Å; M1036-I1039 HydrophobicContact SD-CG2 4.04Å; I1039-Q1041 VanDerWaalsContact C-N 3.32Å; I1039-Q1041 PolarHBondContact O-N 3.23Å; I1039-E1042 PolarHBondContact O-N 3.39Å; I1039-L1043 HydrophobicContact CG2-CD1 3.92Å; I1039-L1043 WeakPolarHBondContact O-CB 3.35Å; I1039-L1043 WeakPolarHBondContact O-CG 3.31Å; I1039-L1043 PolarHBondContact O-N 3.12Å
1040	T	95.3	Very high	86	Confident	22 Å²	22	53.5 Å²	53.5	14%	0.135	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-40.6	176.7	-58.3	0	0	0	0	112	A751 N752 T755 M1036 N1037 T1044	A751-T1040 VanDerWaalsContact CB-OG1 3.3Å; A751-T1040 WeakPolarHBondContact CB-OG1 3.22Å; A751-T1040 PolarHBondContact O-OG1 3.3Å; N752-T1040 VanDerWaalsContact OD1-CG2 3.26Å; N752-T1040 WeakPolarHBondContact OD1-CG2 3.42Å; T755-T1040 PolarHBondContact OG1-OG1 2.89Å; T755-T1040 VanDerWaalsContact OG1-OG1 3.07Å; M1036-T1040 WeakPolarHBondContact O-CB 3.31Å; M1036-T1040 PolarHBondContact O-N 3.2Å; M1036-T1040 PolarHBondContact O-OG1 2.7Å; N1037-T1040 PolarHBondContact O-N 3.48Å; T1040-T1044 WeakPolarHBondContact O-CB 3.46Å; T1040-T1044 PolarHBondContact O-N 3.42Å; T1040-T1044 PolarHBondContact O-OG1 3.39Å
1041	Q	93.5	Very high	83.7	Confident	85 Å²	85	61.2 Å²	61.2	40%	0.397	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-56.5	174.7	-179.3	-176.2	14.1	0	0	111.4	N1037 K1038 I1039 L1043 T1044 E1045	N1037-Q1041 WeakPolarHBondContact O-CB 3.27Å; N1037-Q1041 PolarHBondContact O-N 3.42Å; K1038-Q1041 HydrophobicContact CD-CB 4.43Å; K1038-Q1041 WeakPolarHBondContact O-CB 3.45Å; K1038-Q1041 PolarHBondContact O-N 3.28Å; I1039-Q1041 VanDerWaalsContact C-N 3.32Å; I1039-Q1041 PolarHBondContact O-N 3.23Å; Q1041-L1043 VanDerWaalsContact C-N 3.3Å; Q1041-L1043 PolarHBondContact O-N 3.37Å; Q1041-T1044 WeakPolarHBondContact O-CA 3.35Å; Q1041-T1044 WeakPolarHBondContact O-CB 3.44Å; Q1041-T1044 PolarHBondContact O-N 3.38Å; Q1041-E1045 VanDerWaalsContact CG-CD 3.43Å; Q1041-E1045 HydrophobicContact CG-CG 4.24Å; Q1041-E1045 WeakPolarHBondContact CG-OE1 3.27Å; Q1041-E1045 PolarHBondContact NE2-OE1 3.05Å; Q1041-E1045 WeakPolarHBondContact O-CG 3.45Å; Q1041-E1045 PolarHBondContact O-N 3.28Å
1042	E	94.1	Very high	81.4	Confident	32 Å²	32	66.1 Å²	66.1	15%	0.15	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-36.9	-176.3	-72	-175	-157.7	0	0	112.4	K1024 K1038 I1039 T1044 S1046	K1024-E1042 IonicContact NZ-OE1 2.73Å; K1024-E1042 PolarHBondContact NZ-OE1 2.88Å; K1024-E1042 IonicContact NZ-OE2 2.68Å; K1024-E1042 PolarHBondContact NZ-OE2 3.46Å; K1038-E1042 HydrophobicContact CD-CG 4.28Å; K1038-E1042 WeakPolarHBondContact CE-OE1 3.42Å; K1038-E1042 WeakPolarHBondContact O-CG 3.48Å; K1038-E1042 PolarHBondContact O-N 3.23Å; I1039-E1042 PolarHBondContact O-N 3.39Å; E1042-T1044 VanDerWaalsContact C-N 3.29Å; E1042-T1044 PolarHBondContact O-N 3.1Å; E1042-S1046 VanDerWaalsContact O-CB 3.27Å; E1042-S1046 WeakPolarHBondContact O-CB 3.34Å; E1042-S1046 PolarHBondContact O-N 3.2Å; E1042-S1046 VanDerWaalsContact O-N 3.1Å; E1042-S1046 PolarHBondContact O-OG 2.85Å
1043	L	93	Very high	79	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-26.5	173.5	-73.8	170.8	0	0	0	113.6	L747 A751 F975 L1021 I1039 Q1041	L747-L1043 HydrophobicContact CB-CD1 3.98Å; L747-L1043 HydrophobicContact CB-CD2 4.2Å; L747-L1043 HydrophobicContact CD1-CD2 4.44Å; A751-L1043 HydrophobicContact CB-CD1 4.07Å; F975-L1043 HydrophobicContact CE1-CD1 4.4Å; F975-L1043 HydrophobicContact CZ-CD1 3.96Å; L1021-L1043 HydrophobicContact CD2-CD1 4.39Å; L1021-L1043 HydrophobicContact CD2-CD2 3.66Å; L1021-L1043 HydrophobicContact CD2-CG 3.75Å; I1039-L1043 HydrophobicContact CG2-CD1 3.92Å; I1039-L1043 WeakPolarHBondContact O-CB 3.35Å; I1039-L1043 WeakPolarHBondContact O-CG 3.31Å; I1039-L1043 PolarHBondContact O-N 3.12Å; Q1041-L1043 VanDerWaalsContact C-N 3.3Å; Q1041-L1043 PolarHBondContact O-N 3.37Å
1044	T	89.7	Confident	76.6	Confident	66 Å²	66	73 Å²	73	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-84.8	-46.4	179.7	-60.1	0	0	0	0	111	R748 T1040 Q1041 E1042 S1046 H1047	R748-T1044 WeakPolarHBondContact CD-OG1 3.41Å; T1040-T1044 WeakPolarHBondContact O-CB 3.46Å; T1040-T1044 PolarHBondContact O-N 3.42Å; T1040-T1044 PolarHBondContact O-OG1 3.39Å; Q1041-T1044 WeakPolarHBondContact O-CA 3.35Å; Q1041-T1044 WeakPolarHBondContact O-CB 3.44Å; Q1041-T1044 PolarHBondContact O-N 3.38Å; E1042-T1044 VanDerWaalsContact C-N 3.29Å; E1042-T1044 PolarHBondContact O-N 3.1Å; T1044-S1046 PolarHBondContact O-N 2.88Å; T1044-H1047 PolarHBondContact O-N 3.28Å
1045	E	86.3	Confident	74	Confident	99 Å²	99	76.4 Å²	76.4	46%	0.463	39%	0.385	S	S	.	.	H	α-helix	trans	-59.8	-45.9	177	-69.9	168.5	164.9	0	0	111.6	Q1041 H1047 G1048	Q1041-E1045 VanDerWaalsContact CG-CD 3.43Å; Q1041-E1045 HydrophobicContact CG-CG 4.24Å; Q1041-E1045 WeakPolarHBondContact CG-OE1 3.27Å; Q1041-E1045 PolarHBondContact NE2-OE1 3.05Å; Q1041-E1045 WeakPolarHBondContact O-CG 3.45Å; Q1041-E1045 PolarHBondContact O-N 3.28Å; E1045-H1047 PolarHBondContact O-N 2.91Å; E1045-H1047 VanDerWaalsContact O-N 3.1Å; E1045-G1048 PolarHBondContact O-N 3.38Å
1046	S	73.7	Confident	71.3	Confident	24 Å²	24	78.4 Å²	78.4	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-58	-26.5	178	-60	0	0	0	0	113.5	Y1017 E1042 T1044	Y1017-S1046 WeakPolarHBondContact CD2-OG 3.36Å; E1042-S1046 VanDerWaalsContact O-CB 3.27Å; E1042-S1046 WeakPolarHBondContact O-CB 3.34Å; E1042-S1046 PolarHBondContact O-N 3.2Å; E1042-S1046 VanDerWaalsContact O-N 3.1Å; E1042-S1046 PolarHBondContact O-OG 2.85Å; T1044-S1046 PolarHBondContact O-N 2.88Å
1047	H	63.7	Low	68.5	Low	49 Å²	49	83.9 Å²	83.9	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-82.7	-19.9	179.1	-149.1	-31.3	0	0	0	113.1	I744 T1044 E1045	I744-H1047 HydrophobicContact CG2-CB 4.43Å; T1044-H1047 PolarHBondContact O-N 3.28Å; E1045-H1047 PolarHBondContact O-N 2.91Å; E1045-H1047 VanDerWaalsContact O-N 3.1Å
1048	G	54.2	Low	66	Low	36 Å²	36	86.5 Å²	86.5	37%	0.371	45%	0.445	S	S	.	.	H	α-helix	trans	-75.2	-37.2	176.3	0	0	0	0	0	113.4	E1045 N1050 R1051 R1052	E1045-G1048 PolarHBondContact O-N 3.38Å; G1048-N1050 VanDerWaalsContact C-N 3.29Å; G1048-N1050 PolarHBondContact O-N 3.23Å; G1048-R1051 PolarHBondContact O-N 3.36Å; G1048-R1052 PolarHBondContact O-N 2.84Å
1049	L	50	Low	62.8	Low	109 Å²	109	94.6 Å²	94.6	57%	0.571	48%	0.484	S	S	*	.	H	α-helix	trans	-60.4	-37.8	178.1	-68.1	170.1	0	0	0	112.4	R1051 R1052 K1053	L1049-R1051 PolarHBondContact O-N 3.05Å; L1049-R1052 PolarHBondContact O-N 3.15Å; L1049-K1053 PolarHBondContact O-N 3.14Å; L1049-K1053 VanDerWaalsContact O-N 3.12Å
1050	N	48.9	Very low	61	Low	71 Å²	71	99.4 Å²	99.4	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-73.6	-3.8	175.2	-68.2	-26	0	0	0	114.3	G1048	G1048-N1050 VanDerWaalsContact C-N 3.29Å; G1048-N1050 PolarHBondContact O-N 3.23Å
1051	R	48.5	Very low	59.2	Low	200 Å²	200	103.4 Å²	103.4	76%	0.755	53%	0.527	S	S	*	.	H	α-helix	trans	-92.5	-41.2	166.6	-78.2	-173.9	167.4	-172.2	-5.9	111.7	G1048 L1049 N1054 S1055	G1048-R1051 PolarHBondContact O-N 3.36Å; L1049-R1051 PolarHBondContact O-N 3.05Å; R1051-N1054 PolarHBondContact O-N 3.1Å; R1051-S1055 PolarHBondContact O-N 3.06Å
1052	R	45.9	Very low	57.3	Low	189 Å²	189	104.4 Å²	104.4	71%	0.713	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-45.1	177.8	-70	-176	174	172.3	-3	112	G1048 L1049 N1054 S1055	G1048-R1052 PolarHBondContact O-N 2.84Å; L1049-R1052 PolarHBondContact O-N 3.15Å; R1052-N1054 PolarHBondContact O-N 3.25Å; R1052-S1055 PolarHBondContact O-N 3.17Å; R1052-S1055 PolarHBondContact O-OG 3.37Å
1053	K	46.4	Very low	55.2	Low	161 Å²	161	108.7 Å²	108.7	70%	0.7	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-0.4	175.9	-69.2	-162.8	170.5	-160.8	0	115.9	L1049	L1049-K1053 PolarHBondContact O-N 3.14Å; L1049-K1053 VanDerWaalsContact O-N 3.12Å
1054	N	45.9	Very low	52.8	Low	140 Å²	140	115.4 Å²	115.4	75%	0.749	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	4.5	176.1	-77.4	47.2	0	0	0	112.3	R1051 R1052	R1051-N1054 PolarHBondContact O-N 3.1Å; R1052-N1054 PolarHBondContact O-N 3.25Å
1055	S	43.7	Very low	50.4	Low	87 Å²	87	118.7 Å²	118.7	61%	0.608	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-14	172.1	51.7	0	0	0	0	113.3	R1051 R1052	R1051-S1055 PolarHBondContact O-N 3.06Å; R1052-S1055 PolarHBondContact O-N 3.17Å; R1052-S1055 PolarHBondContact O-OG 3.37Å
1056	D	39.2	Very low	47.8	Very low	107 Å²	107	120.1 Å²	120.1	57%	0.572	61%	0.614	S	S	*	*	S	Bend	trans	-74.8	124.5	170.9	-50.2	-40.4	0	0	0	108.6	V1058	D1056-V1058 PolarHBondContact O-N 3.08Å
1057	P	38.5	Very low	45.8	Very low	118 Å²	118	127.5 Å²	127.5	77%	0.766	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-67.8	117.8	173.2	27.5	-32.2	0	0	0	109.1	H1059	P1057-H1059 PolarHBondContact O-N 3.13Å
1058	V	42.4	Very low	44.3	Very low	149 Å²	149	134.1 Å²	134.1	90%	0.903	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-69.2	118.9	172.6	-179.7	0	0	0	0	107.9	D1056	D1056-V1058 PolarHBondContact O-N 3.08Å
1059	H	28.3	Very low	43.4	Very low	242 Å²	242	143 Å²	143	100%	1.12	71%	0.712	S	S	*	*			trans	-104.4	0	-174.4	-150.4	-35.2	0	0	0	112.4	P1057	P1057-H1059 PolarHBondContact O-N 3.13Å

Retrieved 1,059 of 1,059 residues in 142.4 ms (Link to these results)

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