WNT5_DROME Loading...

Protein Wnt-5

Binds as a ligand to a family of frizzled seven-transmembrane receptors and acts through a cascade of genes on the nucleus^1,2. Probable developmental protein^3,4. May be a signaling molecule which affects the development of discrete regions of tissues. Is likely to signal over only few cell diameters⁵. Ligand of the putative inactive receptor tyrosine kinase drl/derailed involved in neuronal pathway recognition; acts as a repellent signal preventing the projection of anterior commissure axons across the midline into the posterior commissure⁶. May have a role in limb and CNS development; may be a downstream target of Dll that acts in the specification of these primordia⁷.

AlphaFold DB , UniProt , Accession P28466, Species DROME (Drosophila melanogaster, Fruit fly), Gene Wnt5, Length 1,004 aa.

						>WNT5_DROME|P28466|Wnt5
MSCYRKRHFLLWLLRAVCMLHLTARGAYATVGLQGVPTWIYLGLKSPFIEFGNQVEQLANSSIPLNMTKDEQANMHQEGLRKLGTFIKPVDLRDSETGFVKADLTKRLVFDRPNNITSRPIHPIQEEMDQKQIILLDEDTDENGLPASLTDEDRKFIVPMALKNISPDPRWAATTPSPSALQPNAKAISTIVPSPLAQVEGDPTSNIDDLKKHILFLHNMTKTNSNFESKFVKFPSLQKDKAKTSGAGGSPPNPKRPQRPIHQYSAPIAPPTPKVPAPDGGGVGGAAYNPGEQPIGGYYQNEELANNQSLLKPTDTDSHPAAGGSSHGQKNPSEPQVILLNETLSTETSIEADRSPSINQPKAGSPARTTKRPPCLRNPESPKCIRQRRREEQQRQRERDEWFRGQSQYMQPRFEPIIQTINNTKRFAVSIEIPDSFKVSSEGSDGELLSRVERSQPSISSSSSSSSSSSRKIMPDYIKVSMENNTSVTDYFKHDVVMTSADVASDREFLIKNMEEHGGAGSANSHHNDTTPTADAYSETIDLNPNNCYSAIGLSNSQKKQCVKHTSVMPAISRGARAAIQECQFQFKNRRWNCSTTNDETVFGPMTSLAAPEMAFIHALAAATVTSFIARACRDGQLASCSCSRGSRPKQLHDDWKWGGCGDNLEFAYKFATDFIDSREKETNRETRGVKRKREEINKNRMHSDDTNAFNIGIKRNKNVDAKNDTSLVVRNVRKSTEAENSHILNENFDQHLLELEQRITKEILTSKIDEEEMIKLQEKIKQEIVNTKFFKGEQQPRKKKRKNQRAAADAPAYPRNGIKESYKDGGILPRSTATVKARSLMNLHNNEAGRRAVIKKARITCKCHGVSGSCSLITCWQQLSSIREIGDYLREKYEGATKVKINKRGRLQIKDLQFKVPTAHDLIYLDESPDWCRNSYALHWPGTHGRVCHKNSSGLESCAILCCGRGYNTKNIIVNERCNCKFHWCCQVKCEVCTKVLEEHTCK
					

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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	36.6	Very low	42	Very low	246 Å²	246	169.2 Å²	169.2	100%	1.212	80%	0.798	S	S	*	*				0	148.6	0	-57.4	157.1	81.9	0	0	107
2	S	32.5	Very low	42.8	Very low	115 Å²	115	173.9 Å²	173.9	80%	0.804	80%	0.803	S	S	*	*			cis	-156.7	158.2	-36.2	-162.7	0	0	0	0	105.3
3	C	31.1	Very low	43.5	Very low	111 Å²	111	168.8 Å²	168.8	75%	0.75	79%	0.785	S	S	*	*			trans	-27.5	144.4	-174.6	-55.7	0	0	0	0	118.1
4	Y	37.2	Very low	44	Very low	187 Å²	187	165.8 Å²	165.8	73%	0.733	78%	0.776	S	S	*	*				-166.2	123.5	110.2	-116.4	-130.8	0	0	0	115.3
5	R	39.4	Very low	44.5	Very low	176 Å²	176	170.2 Å²	170.2	66%	0.664	78%	0.783	S	S	*	*			trans	32	114.3	140.9	-63	179.9	174.2	174	-2.6	119.5
6	K	38.3	Very low	44.6	Very low	205 Å²	205	165.1 Å²	165.1	89%	0.891	78%	0.78	S	S	*	*				37.9	98.8	77.5	-71.3	-169.4	174.4	-173.9	0	114.8
7	R	45.6	Very low	44.7	Very low	215 Å²	215	162.5 Å²	162.5	81%	0.811	78%	0.777	S	S	*	*			trans	-156.6	-18.2	157.3	-121	170	-172.9	-171.9	-1.7	119.7
8	H	49.2	Very low	44.6	Very low	166 Å²	166	159.5 Å²	159.5	77%	0.769	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-15.8	-171.2	-88.4	-103.6	0	0	0	117.6	L10 L11	H8-L10 VanDerWaalsContact C-N 3.26Å; H8-L10 PolarHBondContact O-N 3.09Å; H8-L11 PolarHBondContact O-N 2.78Å
9	F	48.9	Very low	44.6	Very low	185 Å²	185	160.9 Å²	160.9	81%	0.811	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-17.5	-171.7	-155.4	-99.3	0	0	0	115	L13	F9-L13 HydrophobicContact CE1-CD1 4.49Å
10	L	52.7	Low	44.2	Very low	133 Å²	133	160.9 Å²	160.9	70%	0.696	79%	0.785	S	S	*	*	H	α-helix	trans	-84.2	-19.1	-176.8	-95.1	152.4	0	0	0	114.5	H8	H8-L10 VanDerWaalsContact C-N 3.26Å; H8-L10 PolarHBondContact O-N 3.09Å
11	L	51	Low	44.1	Very low	122 Å²	122	161.9 Å²	161.9	64%	0.639	79%	0.788	S	S	*	*	H	α-helix	trans	-86.4	-18.5	-175.5	-82	162.8	0	0	0	114	H8	H8-L11 PolarHBondContact O-N 2.78Å
12	W	51.1	Low	44.4	Very low	226 Å²	226	157.7 Å²	157.7	86%	0.856	77%	0.769	S	S	*	*	H	α-helix	trans	-80.2	-38.8	178.4	-143.1	75.9	0	0	0	111.9	L14 R15	W12-L14 VanDerWaalsContact C-N 3.26Å; W12-L14 PolarHBondContact O-N 2.88Å; W12-R15 PolarHBondContact O-N 2.93Å
13	L	52.1	Low	44.8	Very low	108 Å²	108	157.9 Å²	157.9	57%	0.565	77%	0.765	S	S	*	*	H	α-helix	trans	-63.7	-27.2	178.2	-75	163.7	0	0	0	113.6	F9	F9-L13 HydrophobicContact CE1-CD1 4.49Å
14	L	51	Low	45.3	Very low	126 Å²	126	157 Å²	157	66%	0.66	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-9.8	-178.4	-77.9	166.9	0	0	0	114.8	W12	W12-L14 VanDerWaalsContact C-N 3.26Å; W12-L14 PolarHBondContact O-N 2.88Å
15	R	50.5	Low	45.5	Very low	232 Å²	232	159.9 Å²	159.9	88%	0.875	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-11.8	175.3	-90	-173.7	169.2	-178	-3.1	114.6	W12	W12-R15 PolarHBondContact O-N 2.93Å
16	A	47.3	Very low	45.6	Very low	89 Å²	89	155.1 Å²	155.1	74%	0.736	78%	0.782	S	S	*	*	S	Bend	trans	-88.5	-0.3	-175.9	0	0	0	0	0	114.9
17	V	45.9	Very low	45.5	Very low	121 Å²	121	148.8 Å²	148.8	73%	0.733	77%	0.768	S	S	*	*	S	Bend	trans	-110	-4.2	-163.9	-175.8	0	0	0	0	113.8
18	C	42.5	Very low	45.2	Very low	108 Å²	108	149.6 Å²	149.6	73%	0.73	77%	0.772	S	S	*	*	S	Bend	trans	-103.1	-0.4	-168.2	-79.8	0	0	0	0	117.8
19	M	43.8	Very low	44.7	Very low	186 Å²	186	145.2 Å²	145.2	92%	0.916	77%	0.765	S	S	*	*			trans	-128.7	55.2	-172	-63.8	-63.8	-80	0	0	113.7
20	L	38.5	Very low	44.2	Very low	160 Å²	160	142.7 Å²	142.7	84%	0.838	77%	0.765	S	S	*	*			trans	-141.6	106.4	170.2	-96.5	169.3	0	0	0	110.2
21	H	41.6	Very low	43.6	Very low	183 Å²	183	143.4 Å²	143.4	85%	0.847	78%	0.775	S	S	*	*			trans	179.7	166.1	147.3	-100.7	-65.6	0	0	0	111.3
22	L	41.5	Very low	42.7	Very low	158 Å²	158	140.8 Å²	140.8	83%	0.827	78%	0.777	S	S	*	*			trans	72.2	146.5	-178.8	-61.7	106.8	0	0	0	117.7
23	T	41.4	Very low	42.1	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.724	77%	0.774	S	S	*	*				-171.6	136	-79.6	36.4	0	0	0	0	113.3
24	A	42.3	Very low	41.2	Very low	94 Å²	94	141 Å²	141	78%	0.777	79%	0.789	S	S	*	*			trans	68.4	165.6	152.8	0	0	0	0	0	118
25	R	40.5	Very low	40.3	Very low	246 Å²	246	138.7 Å²	138.7	93%	0.928	80%	0.795	S	S	*	*			cis	-162.5	141.2	0.3	-144.7	169.1	-170.6	170.7	1.5	113.8
26	G	41.5	Very low	39.4	Very low	76 Å²	76	134.4 Å²	134.4	78%	0.784	79%	0.794	S	S	*	*			trans	75.9	173.6	151.3	0	0	0	0	0	120.1
27	A	37.3	Very low	38.7	Very low	73 Å²	73	134.6 Å²	134.6	60%	0.603	79%	0.788	S	S	*	*			cis	-174.1	161.4	-25.4	0	0	0	0	0	112
28	Y	39.3	Very low	38	Very low	231 Å²	231	135.3 Å²	135.3	91%	0.906	79%	0.793	S	S	*	*			trans	71.5	154.8	166.8	-48.1	-67.9	0	0	0	118.7
29	A	38.2	Very low	37.7	Very low	74 Å²	74	139.5 Å²	139.5	61%	0.612	79%	0.793	S	S	*	*			cis	-169	144.6	-27.6	0	0	0	0	0	113.7
30	T	38.8	Very low	37.5	Very low	133 Å²	133	136.6 Å²	136.6	82%	0.816	78%	0.78	S	S	*	*			trans	60.7	156.9	146.6	53.2	0	0	0	0	123.8
31	V	39.1	Very low	37.3	Very low	148 Å²	148	138.3 Å²	138.3	90%	0.897	78%	0.777	S	S	*	*			trans	85.4	139.4	174.6	-172.4	0	0	0	0	113.7
32	G	33	Very low	37.1	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	77%	0.77	S	S	*	*			cis	-165.2	-128	5.3	0	0	0	0	0	116.8
33	L	39	Very low	36.6	Very low	152 Å²	152	131 Å²	131	80%	0.796	76%	0.758	S	S	*	*			trans	-99.6	140.7	-159.9	-83.4	77.2	0	0	0	116.3
34	Q	33.1	Very low	36.1	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	76%	0.76	S	S	*	*			trans	42.5	116.3	133.3	-58.9	177.6	-14.8	0	0	120.8
35	G	31.9	Very low	35.3	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	76%	0.759	S	S	*	*			trans	-176	150.6	164.2	0	0	0	0	0	113.2
36	V	30.3	Very low	35	Very low	142 Å²	142	129.2 Å²	129.2	86%	0.861	75%	0.747	S	S	*	*			trans	-143	142.8	179.7	179.5	0	0	0	0	108.1
37	P	33.2	Very low	34.6	Very low	94 Å²	94	131.2 Å²	131.2	61%	0.61	75%	0.747	S	S	*	*			cis	-119.9	160.7	-20.2	37.3	-23.4	0	0	0	113.5
38	T	31.3	Very low	34	Very low	136 Å²	136	136.7 Å²	136.7	83%	0.834	76%	0.757	S	S	*	*			trans	-143.4	141.3	169.2	50.6	0	0	0	0	110.3
39	W	36.4	Very low	33.4	Very low	195 Å²	195	133.6 Å²	133.6	74%	0.739	75%	0.754	S	S	*	*			cis	79.5	84.1	12.9	-50.2	51.2	0	0	0	116.3
40	I	38.6	Very low	32.7	Very low	125 Å²	125	137.8 Å²	137.8	64%	0.641	76%	0.762	S	S	*	*			trans	61.1	119.9	148.4	-22.9	179.7	0	0	0	119
41	Y	35.6	Very low	32.1	Very low	196 Å²	196	142.1 Å²	142.1	77%	0.769	77%	0.769	S	S	*	*				171.5	115.4	106.2	-96.7	-68	0	0	0	116.1
42	L	36	Very low	31.4	Very low	133 Å²	133	137.1 Å²	137.1	70%	0.696	75%	0.748	S	S	*	*				-114	126.2	129.5	-85.4	149.4	0	0	0	105.8	H527	L42-H527 HydrophobicContact CD1-CB 3.81Å
43	G	32.6	Very low	31.1	Very low	56 Å²	56	142.2 Å²	142.2	58%	0.577	76%	0.76	S	S	*	*			cis	164.2	10.3	-6.5	0	0	0	0	0	116.1
44	L	29.3	Very low	30.5	Very low	147 Å²	147	143.5 Å²	143.5	77%	0.77	76%	0.761	S	S	*	*			trans	-112.8	122.2	-173.1	-77.9	166.4	0	0	0	112.9
45	K	27.1	Very low	30.3	Very low	175 Å²	175	141.1 Å²	141.1	76%	0.761	76%	0.759	S	S	*	*			trans	-34.4	147	-178	-65.9	173.4	173.8	176.6	0	117.5
46	S	32.8	Very low	30	Very low	97 Å²	97	146.2 Å²	146.2	68%	0.678	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-70.1	136.5	142.3	48.4	0	0	0	0	111
47	P	33.5	Very low	29.9	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-80.1	141.7	148	32.8	-28.6	0	0	0	109.1	I49	P47-I49 PolarHBondContact O-N 2.74Å
48	F	25.9	Very low	29.5	Very low	188 Å²	188	148.5 Å²	148.5	83%	0.825	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-73	122.7	170.3	-78.9	-118.2	0	0	0	109.5
49	I	26.2	Very low	29.4	Very low	165 Å²	165	146.7 Å²	146.7	85%	0.846	76%	0.76	S	S	*	*				-118	145.8	124.8	-64.5	-177.1	0	0	0	105.5	P47	P47-I49 PolarHBondContact O-N 2.74Å
50	E	22.9	Very low	29	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.762	75%	0.754	S	S	*	*			trans	-64.6	162.8	-172.5	-61.4	166.2	110.5	0	0	112.7	G52	E50-G52 PolarHBondContact O-N 3.27Å
51	F	26.3	Very low	28.5	Very low	223 Å²	223	141.3 Å²	141.3	98%	0.978	75%	0.753	S	S	*	*			trans	-69.9	62.4	151.1	-78.5	-80.7	0	0	0	109.7
52	G	24.2	Very low	28.2	Very low	44 Å²	44	136 Å²	136	45%	0.454	75%	0.745	S	S	.	*			trans	-74.4	130.4	171.4	0	0	0	0	0	109.8	E50 Q54	E50-G52 PolarHBondContact O-N 3.27Å; G52-Q54 PolarHBondContact O-N 2.98Å
53	N	27.3	Very low	27.8	Very low	172 Å²	172	136.3 Å²	136.3	92%	0.92	75%	0.746	S	S	*	*			trans	-73	75.7	174.6	-71.5	-44.8	0	0	0	110.5
54	Q	25.1	Very low	27.7	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	75%	0.754	S	S	*	*			trans	-125.1	134.4	174.6	-62.6	-161.7	13.5	0	0	111.7	G52	G52-Q54 PolarHBondContact O-N 2.98Å
55	V	30.2	Very low	27.8	Very low	138 Å²	138	138.4 Å²	138.4	84%	0.836	75%	0.75	S	S	*	*			trans	-94	114.5	-175.6	175.2	0	0	0	0	108.4
56	E	25.1	Very low	28.1	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	75%	0.752	S	S	*	*			trans	-132.4	148	178.6	-150.4	157.9	-132.6	0	0	113.3
57	Q	27.8	Very low	28.8	Very low	125 Å²	125	135.8 Å²	135.8	58%	0.584	74%	0.736	S	S	*	*			trans	-112.4	48.3	-138.4	-59.1	-174.2	-5.7	0	0	115.3	A59 N60	Q57-A59 PolarHBondContact O-N 3.46Å; Q57-N60 WeakPolarHBondContact O-CB 3.48Å; Q57-N60 PolarHBondContact O-N 3.01Å
58	L	26.2	Very low	29.9	Very low	158 Å²	158	133.2 Å²	133.2	83%	0.827	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	34.6	-174.7	-64.8	178.4	0	0	0	115.9
59	A	29.2	Very low	31.7	Very low	99 Å²	99	132.7 Å²	132.7	82%	0.818	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	9.4	149.7	0	0	0	0	0	112.5	Q57	Q57-A59 PolarHBondContact O-N 3.46Å
60	N	26.7	Very low	33.6	Very low	115 Å²	115	130.3 Å²	130.3	62%	0.615	70%	0.704	S	S	*	*			trans	-123	44.9	179.6	-74.9	-27.3	0	0	0	112.6	Q57	Q57-N60 WeakPolarHBondContact O-CB 3.48Å; Q57-N60 PolarHBondContact O-N 3.01Å
61	S	27.7	Very low	35.7	Very low	91 Å²	91	127 Å²	127	64%	0.636	69%	0.689	S	S	*	*			trans	-100.8	24	172.2	58.5	0	0	0	0	114.1	I63	S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 3.29Å; S61-I63 VanDerWaalsContact O-N 3.14Å
62	S	30	Very low	37.4	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	66%	0.663	S	S	*	*	S	Bend	trans	-67.3	99.9	144.8	54.6	0	0	0	0	107.2	P64	S62-P64 VanDerWaalsContact O-CD 3.31Å; S62-P64 WeakPolarHBondContact O-CD 3.15Å; S62-P64 VanDerWaalsContact O-N 3.11Å
63	I	27.3	Very low	39.5	Very low	139 Å²	139	121.1 Å²	121.1	71%	0.713	66%	0.661	S	S	*	*			trans	-50.9	122	162.6	-62.7	173.7	0	0	0	105.8	S61 L65	S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 3.29Å; S61-I63 VanDerWaalsContact O-N 3.14Å; I63-L65 PolarHBondContact O-N 3.48Å
64	P	30.5	Very low	41.6	Very low	114 Å²	114	117.8 Å²	117.8	74%	0.74	64%	0.643	S	S	*	*			trans	-69.7	88.7	168	29.6	-31.2	0	0	0	106.2	S62 N66	S62-P64 VanDerWaalsContact O-CD 3.31Å; S62-P64 WeakPolarHBondContact O-CD 3.15Å; S62-P64 VanDerWaalsContact O-N 3.11Å; P64-N66 PolarHBondContact O-N 3.32Å
65	L	31.5	Very low	43.1	Very low	133 Å²	133	115.4 Å²	115.4	70%	0.696	63%	0.634	S	S	*	*			trans	-55.4	103.8	156.7	-71.4	-179.6	0	0	0	104.7	I63 M67	I63-L65 PolarHBondContact O-N 3.48Å; L65-M67 HydrophobicContact CB-CG 4.37Å; L65-M67 PolarHBondContact O-N 3.04Å
66	N	34.1	Very low	44.8	Very low	150 Å²	150	115 Å²	115	80%	0.802	62%	0.622	S	S	*	*			trans	-76.2	48.6	-177.2	-167.8	35.8	0	0	0	109.8	P64 T68	P64-N66 PolarHBondContact O-N 3.32Å; N66-T68 PolarHBondContact O-N 2.77Å; N66-T68 VanDerWaalsContact O-N 3.11Å
67	M	46.4	Very low	46.8	Very low	67 Å²	67	112.3 Å²	112.3	33%	0.33	61%	0.609	S	S	.	*			trans	-57.6	114	169	-76.9	171.4	54.8	0	0	106.8	L65 E71 Q72 M75	L65-M67 HydrophobicContact CB-CG 4.37Å; L65-M67 PolarHBondContact O-N 3.04Å; M67-E71 WeakPolarHBondContact CA-OE2 3.45Å; M67-E71 HydrophobicContact CB-CB 4.18Å; M67-E71 HydrophobicContact CG-CB 4.36Å; M67-Q72 HydrophobicContact CE-CB 3.92Å; M67-Q72 HydrophobicContact CE-CG 4.14Å; M67-M75 HydrophobicContact CE-CG 4.42Å; M67-M75 HydrophobicContact CE-SD 3.41Å; M67-M75 WeakPolarHBondContact CE-SD 3.44Å; M67-M75 HydrophobicContact SD-SD 4.02Å
68	T	57.9	Low	48.6	Very low	65 Å²	65	108.9 Å²	108.9	40%	0.399	59%	0.594	S	S	.	*			trans	-52.7	155.9	165.4	56.3	0	0	0	0	109.7	N66 D70 E71 Q72	N66-T68 PolarHBondContact O-N 2.77Å; N66-T68 VanDerWaalsContact O-N 3.11Å; T68-D70 PolarHBondContact O-N 3.45Å; T68-D70 VanDerWaalsContact O-N 3.09Å; T68-E71 WeakPolarHBondContact CB-OE2 3.47Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.16Å; T68-E71 PolarHBondContact N-OE2 3.1Å; T68-E71 PolarHBondContact O-N 2.86Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.05Å; T68-E71 PolarHBondContact OG1-N 2.91Å; T68-E71 PolarHBondContact OG1-OE2 2.97Å; T68-Q72 PolarHBondContact O-N 2.7Å
69	K	63	Low	49.6	Very low	177 Å²	177	103 Å²	103	77%	0.77	57%	0.57	S	S	*	*	H	α-helix	trans	-54	-29.8	169.5	-86.5	-175.1	173.3	179	0	111.5	Q72 A73	K69-Q72 PolarHBondContact O-N 2.98Å; K69-A73 WeakPolarHBondContact O-CB 3.17Å; K69-A73 PolarHBondContact O-N 3.36Å
70	D	67.1	Low	50.8	Low	114 Å²	114	102.9 Å²	102.9	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-75.1	-32.3	-180	-49.6	-49	0	0	0	112.5	T68 N74	T68-D70 PolarHBondContact O-N 3.45Å; T68-D70 VanDerWaalsContact O-N 3.09Å; D70-N74 VanDerWaalsContact O-CB 3.27Å; D70-N74 WeakPolarHBondContact O-CB 3.44Å; D70-N74 PolarHBondContact O-N 2.75Å; D70-N74 PolarHBondContact O-ND2 2.66Å
71	E	66.9	Low	52	Low	93 Å²	93	104.5 Å²	104.5	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-71.6	-40.7	168.5	-77.4	161.6	111.4	0	0	112	M67 T68 A73 N74 M75	M67-E71 WeakPolarHBondContact CA-OE2 3.45Å; M67-E71 HydrophobicContact CB-CB 4.18Å; M67-E71 HydrophobicContact CG-CB 4.36Å; T68-E71 WeakPolarHBondContact CB-OE2 3.47Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.16Å; T68-E71 PolarHBondContact N-OE2 3.1Å; T68-E71 PolarHBondContact O-N 2.86Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.05Å; T68-E71 PolarHBondContact OG1-N 2.91Å; T68-E71 PolarHBondContact OG1-OE2 2.97Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-N74 PolarHBondContact O-N 3.27Å; E71-M75 WeakPolarHBondContact O-CG 3.25Å; E71-M75 PolarHBondContact O-N 3.44Å
72	Q	61.5	Low	52.9	Low	96 Å²	96	105.7 Å²	105.7	45%	0.449	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-38.9	174.8	-162.9	174.7	46.3	0	0	111.3	M67 T68 K69 H76 C986	M67-Q72 HydrophobicContact CE-CB 3.92Å; M67-Q72 HydrophobicContact CE-CG 4.14Å; T68-Q72 PolarHBondContact O-N 2.7Å; K69-Q72 PolarHBondContact O-N 2.98Å; Q72-H76 WeakPolarHBondContact O-CB 3.36Å; Q72-H76 PolarHBondContact O-N 3.3Å; Q72-C986 PolarHBondContact NE2-SG 2.8Å; Q72-C986 VanDerWaalsContact NE2-SG 3.41Å
73	A	68.1	Low	53.6	Low	48 Å²	48	107.6 Å²	107.6	40%	0.397	55%	0.55	S	S	.	.	H	α-helix	trans	-65.7	-42.3	171.5	0	0	0	0	0	112.2	K69 E71 H76 Q77	K69-A73 WeakPolarHBondContact O-CB 3.17Å; K69-A73 PolarHBondContact O-N 3.36Å; E71-A73 VanDerWaalsContact C-N 3.33Å; A73-H76 PolarHBondContact O-N 3Å; A73-Q77 WeakPolarHBondContact O-CB 3.33Å; A73-Q77 WeakPolarHBondContact O-CG 3.42Å; A73-Q77 PolarHBondContact O-N 3.08Å
74	N	70.9	Confident	54.2	Low	103 Å²	103	103.2 Å²	103.2	55%	0.551	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-39.8	174.6	-93.2	-65.7	0	0	0	112.5	D70 E71 Q77 E78	D70-N74 VanDerWaalsContact O-CB 3.27Å; D70-N74 WeakPolarHBondContact O-CB 3.44Å; D70-N74 PolarHBondContact O-N 2.75Å; D70-N74 PolarHBondContact O-ND2 2.66Å; E71-N74 PolarHBondContact O-N 3.27Å; N74-Q77 PolarHBondContact O-N 3.43Å; N74-E78 WeakPolarHBondContact O-CB 3.36Å; N74-E78 PolarHBondContact O-N 3.25Å
75	M	57.7	Low	54.7	Low	129 Å²	129	102.3 Å²	102.3	64%	0.635	53%	0.531	S	S	*	.	H	α-helix	trans	-65.3	-40.1	175.1	-75.7	-175	65.3	0	0	111.6	M67 E71 G79	M67-M75 HydrophobicContact CE-CG 4.42Å; M67-M75 HydrophobicContact CE-SD 3.41Å; M67-M75 WeakPolarHBondContact CE-SD 3.44Å; M67-M75 HydrophobicContact SD-SD 4.02Å; E71-M75 WeakPolarHBondContact O-CG 3.25Å; E71-M75 PolarHBondContact O-N 3.44Å; M75-G79 PolarHBondContact O-N 2.96Å
76	H	65.8	Low	54.8	Low	130 Å²	130	104.9 Å²	104.9	60%	0.602	54%	0.537	S	S	*	.	H	α-helix	trans	-65.5	-46	174.2	-171.8	69.8	0	0	0	111.9	Q72 A73 G79 L80	Q72-H76 WeakPolarHBondContact O-CB 3.36Å; Q72-H76 PolarHBondContact O-N 3.3Å; A73-H76 PolarHBondContact O-N 3Å; H76-G79 PolarHBondContact O-N 3.04Å; H76-L80 WeakPolarHBondContact O-CG 3.48Å; H76-L80 PolarHBondContact O-N 2.84Å
77	Q	66.3	Low	54.7	Low	126 Å²	126	104.3 Å²	104.3	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-66.3	-39.9	176.9	-77.9	-171.1	-25.2	0	0	112.9	A73 N74 G79 L80 R81	A73-Q77 WeakPolarHBondContact O-CB 3.33Å; A73-Q77 WeakPolarHBondContact O-CG 3.42Å; A73-Q77 PolarHBondContact O-N 3.08Å; N74-Q77 PolarHBondContact O-N 3.43Å; Q77-G79 VanDerWaalsContact C-N 3.33Å; Q77-L80 CarbonylContact O-C 3.47Å; Q77-L80 PolarHBondContact O-N 2.88Å; Q77-R81 WeakPolarHBondContact O-CB 3.36Å; Q77-R81 PolarHBondContact O-N 2.92Å
78	E	65.9	Low	53.9	Low	54 Å²	54	109.9 Å²	109.9	25%	0.252	56%	0.555	S	S	.	*	H	α-helix	trans	-70	-31.3	176.5	-179.4	65.7	-179.5	0	0	111.5	N74 R81 K82	N74-E78 WeakPolarHBondContact O-CB 3.36Å; N74-E78 PolarHBondContact O-N 3.25Å; E78-R81 VanDerWaalsContact CD-NH2 3.28Å; E78-R81 IonicContact OE1-CZ 3.45Å; E78-R81 IonicContact OE1-NH2 3.21Å; E78-R81 PolarHBondContact OE1-NH2 2.81Å; E78-R81 IonicContact OE2-CZ 3.71Å; E78-R81 IonicContact OE2-NE 3.99Å; E78-R81 PolarHBondContact OE2-NE 2.76Å; E78-R81 IonicContact OE2-NH2 2.8Å; E78-R81 PolarHBondContact OE2-NH2 3.5Å; E78-K82 HydrophobicContact CG-CD 4.31Å; E78-K82 WeakPolarHBondContact O-CB 3.23Å; E78-K82 VanDerWaalsContact O-CG 3.29Å; E78-K82 WeakPolarHBondContact O-CG 2.96Å; E78-K82 PolarHBondContact O-N 2.93Å; E78-K82 WeakPolarHBondContact OE1-CE 3.49Å; E78-K82 IonicContact OE1-NZ 2.72Å; E78-K82 PolarHBondContact OE1-NZ 2.88Å
79	G	46.6	Very low	52.7	Low	33 Å²	33	112.6 Å²	112.6	34%	0.34	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-52.7	167.7	0	0	0	0	0	111.9	M75 H76 Q77 R81 K82 L83	M75-G79 PolarHBondContact O-N 2.96Å; H76-G79 PolarHBondContact O-N 3.04Å; Q77-G79 VanDerWaalsContact C-N 3.33Å; G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 3.33Å; G79-K82 PolarHBondContact O-N 3.38Å; G79-L83 PolarHBondContact O-N 3.48Å
80	L	54.8	Low	51.4	Low	98 Å²	98	110 Å²	110	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-61.2	-36	175.3	-70	172.4	0	0	0	112.6	H76 Q77 L83 G84	H76-L80 WeakPolarHBondContact O-CG 3.48Å; H76-L80 PolarHBondContact O-N 2.84Å; Q77-L80 CarbonylContact O-C 3.47Å; Q77-L80 PolarHBondContact O-N 2.88Å; L80-L83 PolarHBondContact O-N 2.88Å; L80-G84 PolarHBondContact O-N 3.35Å
81	R	52.8	Low	49.9	Very low	148 Å²	148	110.3 Å²	110.3	56%	0.558	57%	0.574	S	S	*	*	H	α-helix	trans	-69.7	-35.9	177.6	-162.3	179.1	72	85.8	7.1	111.8	Q77 E78 G79 G84 T85	Q77-R81 WeakPolarHBondContact O-CB 3.36Å; Q77-R81 PolarHBondContact O-N 2.92Å; E78-R81 VanDerWaalsContact CD-NH2 3.28Å; E78-R81 IonicContact OE1-CZ 3.45Å; E78-R81 IonicContact OE1-NH2 3.21Å; E78-R81 PolarHBondContact OE1-NH2 2.81Å; E78-R81 IonicContact OE2-CZ 3.71Å; E78-R81 IonicContact OE2-NE 3.99Å; E78-R81 PolarHBondContact OE2-NE 2.76Å; E78-R81 IonicContact OE2-NH2 2.8Å; E78-R81 PolarHBondContact OE2-NH2 3.5Å; G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 3.33Å; R81-G84 PolarHBondContact O-N 3.08Å; R81-T85 WeakPolarHBondContact O-CG2 3.41Å; R81-T85 PolarHBondContact O-N 3.46Å; R81-T85 VanDerWaalsContact O-N 3.08Å; R81-T85 PolarHBondContact O-OG1 2.83Å
82	K	46.8	Very low	48.5	Very low	117 Å²	117	112.9 Å²	112.9	51%	0.509	59%	0.59	S	S	.	*	H	α-helix	trans	-70.5	-38.3	174.1	-77.8	168.3	179	158.9	0	112.7	E78 G79 T85	E78-K82 HydrophobicContact CG-CD 4.31Å; E78-K82 WeakPolarHBondContact O-CB 3.23Å; E78-K82 VanDerWaalsContact O-CG 3.29Å; E78-K82 WeakPolarHBondContact O-CG 2.96Å; E78-K82 PolarHBondContact O-N 2.93Å; E78-K82 WeakPolarHBondContact OE1-CE 3.49Å; E78-K82 IonicContact OE1-NZ 2.72Å; E78-K82 PolarHBondContact OE1-NZ 2.88Å; G79-K82 PolarHBondContact O-N 3.38Å; K82-T85 WeakPolarHBondContact CA-OG1 3.31Å; K82-T85 PolarHBondContact O-N 3.37Å; K82-T85 PolarHBondContact O-OG1 3.35Å
83	L	43	Very low	47.3	Very low	126 Å²	126	117 Å²	117	66%	0.66	60%	0.601	S	S	*	*	H	α-helix	trans	-62.3	-45.6	168.9	-70.5	165.8	0	0	0	110.7	G79 L80 T85 F86	G79-L83 PolarHBondContact O-N 3.48Å; L80-L83 PolarHBondContact O-N 2.88Å; L83-T85 PolarHBondContact O-N 3.07Å; L83-F86 PolarHBondContact O-N 3.41Å
84	G	40.6	Very low	45.9	Very low	47 Å²	47	119.3 Å²	119.3	49%	0.485	61%	0.607	S	S	.	*	H	α-helix	trans	-62.3	-19.5	176.7	0	0	0	0	0	115.4	L80 R81	L80-G84 PolarHBondContact O-N 3.35Å; R81-G84 PolarHBondContact O-N 3.08Å
85	T	40.4	Very low	44.5	Very low	94 Å²	94	120.1 Å²	120.1	58%	0.577	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-6.1	177.3	45.7	0	0	0	0	115.5	R81 K82 L83	R81-T85 WeakPolarHBondContact O-CG2 3.41Å; R81-T85 PolarHBondContact O-N 3.46Å; R81-T85 VanDerWaalsContact O-N 3.08Å; R81-T85 PolarHBondContact O-OG1 2.83Å; K82-T85 WeakPolarHBondContact CA-OG1 3.31Å; K82-T85 PolarHBondContact O-N 3.37Å; K82-T85 PolarHBondContact O-OG1 3.35Å; L83-T85 PolarHBondContact O-N 3.07Å
86	F	33.7	Very low	44.2	Very low	188 Å²	188	122.7 Å²	122.7	83%	0.825	63%	0.631	S	S	*	*	S	Bend	trans	-92.6	-11.7	173.3	-93	-87.8	0	0	0	114.2	L83 K88	L83-F86 PolarHBondContact O-N 3.41Å; F86-K88 PolarHBondContact O-N 2.88Å
87	I	31.8	Very low	43.8	Very low	137 Å²	137	120.5 Å²	120.5	70%	0.703	63%	0.627	S	S	*	*			trans	-93.9	94.8	174.2	-54.3	177.4	0	0	0	109
88	K	30.7	Very low	42.5	Very low	185 Å²	185	116.7 Å²	116.7	80%	0.804	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-71.7	136.1	159	-76.6	-171.7	175.9	-176.3	0	108.7	F86 V90	F86-K88 PolarHBondContact O-N 2.88Å; K88-V90 PolarHBondContact O-N 3.45Å
89	P	32.2	Very low	41.3	Very low	121 Å²	121	122.7 Å²	122.7	79%	0.786	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.8	128.6	166.3	-21.8	33.1	0	0	0	109.6
90	V	36.7	Very low	40.9	Very low	123 Å²	123	126.4 Å²	126.4	75%	0.745	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-82.6	120.5	167.3	177.7	0	0	0	0	106.7	K88 L92	K88-V90 PolarHBondContact O-N 3.45Å; V90-L92 PolarHBondContact O-N 3.08Å
91	D	35.4	Very low	40	Very low	121 Å²	121	131.7 Å²	131.7	65%	0.647	68%	0.682	S	S	*	*			trans	-62.1	104.2	176.6	-88.9	-59	0	0	0	110.5	R93	D91-R93 HydrophobicContact CB-CG 4.47Å; D91-R93 PolarHBondContact O-N 3.32Å
92	L	37.8	Very low	39.1	Very low	147 Å²	147	128.9 Å²	128.9	77%	0.77	69%	0.691	S	S	*	*			trans	-74.5	80.4	159.7	-80.3	90.2	0	0	0	108.6	V90	V90-L92 PolarHBondContact O-N 3.08Å
93	R	35.1	Very low	38.6	Very low	181 Å²	181	128.8 Å²	128.8	68%	0.683	70%	0.696	S	S	*	*			trans	-121.6	115.7	171.8	-80	179.5	161.4	170.9	-3.5	110.1	D91	D91-R93 HydrophobicContact CB-CG 4.47Å; D91-R93 PolarHBondContact O-N 3.32Å
94	D	38.5	Very low	38.3	Very low	97 Å²	97	130.4 Å²	130.4	52%	0.519	71%	0.705	S	S	.	*			trans	-73.6	129.8	171.9	-173.8	14.2	0	0	0	109.8	E96 T97 G98	D94-E96 VanDerWaalsContact C-N 3.26Å; D94-E96 PolarHBondContact O-N 2.97Å; D94-T97 PolarHBondContact O-N 2.77Å; D94-T97 PolarHBondContact OD2-OG1 2.57Å; D94-G98 PolarHBondContact O-N 3.29Å
95	S	42.5	Very low	37.7	Very low	120 Å²	120	134.6 Å²	134.6	84%	0.839	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-13.9	-159.9	49	0	0	0	0	115.1
96	E	51.1	Low	37.5	Very low	183 Å²	183	137.9 Å²	137.9	86%	0.855	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-13.8	-179.7	-60.7	-171.6	147.5	0	0	113.5	D94	D94-E96 VanDerWaalsContact C-N 3.26Å; D94-E96 PolarHBondContact O-N 2.97Å
97	T	56.6	Low	37.4	Very low	84 Å²	84	139.6 Å²	139.6	52%	0.515	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.1	-23.6	-169.9	64.1	0	0	0	0	115.2	D94 F99	D94-T97 PolarHBondContact O-N 2.77Å; D94-T97 PolarHBondContact OD2-OG1 2.57Å; T97-F99 WeakPolarHBondContact O-CD2 3.43Å; T97-F99 PolarHBondContact O-N 2.81Å
98	G	40.2	Very low	37.5	Very low	47 Å²	47	141.3 Å²	141.3	49%	0.485	74%	0.738	S	S	.	*			trans	67.3	-7.4	171	0	0	0	0	0	117.6	D94	D94-G98 PolarHBondContact O-N 3.29Å
99	F	39.7	Very low	37.7	Very low	179 Å²	179	138 Å²	138	79%	0.785	73%	0.733	S	S	*	*	S	Bend	trans	-102.9	140.8	-179.7	-83.9	-86.9	0	0	0	112.5	T97 K101	T97-F99 WeakPolarHBondContact O-CD2 3.43Å; T97-F99 PolarHBondContact O-N 2.81Å; F99-K101 PolarHBondContact O-N 2.87Å
100	V	38.1	Very low	37.6	Very low	112 Å²	112	141.5 Å²	141.5	68%	0.679	74%	0.736	S	S	*	*			trans	-76.7	115.1	172	179.9	0	0	0	0	109.1	A102	V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 2.98Å
101	K	35.8	Very low	37.4	Very low	208 Å²	208	143.6 Å²	143.6	90%	0.904	74%	0.743	S	S	*	*			trans	-78.9	76.2	-174.1	-163.1	171.7	-172.8	173	0	112.6	F99 D103	F99-K101 PolarHBondContact O-N 2.87Å; K101-D103 PolarHBondContact O-N 3.46Å
102	A	34.7	Very low	37.1	Very low	90 Å²	90	148.2 Å²	148.2	74%	0.744	75%	0.751	S	S	*	*			trans	-93.2	77.4	-179.7	0	0	0	0	0	112.9	V100	V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 2.98Å
103	D	36.6	Very low	37.1	Very low	114 Å²	114	146.4 Å²	146.4	61%	0.61	75%	0.749	S	S	*	*			trans	-163.6	122.7	150.9	-144	-8.5	0	0	0	112.7	K101	K101-D103 PolarHBondContact O-N 3.46Å
104	L	35.7	Very low	36.8	Very low	161 Å²	161	144.2 Å²	144.2	84%	0.843	75%	0.751	S	S	*	*			trans	-171.6	32.4	158.3	-114	164.6	0	0	0	114.1	K106	L104-K106 VanDerWaalsContact C-N 3.34Å; L104-K106 PolarHBondContact O-N 3.43Å; L104-K106 VanDerWaalsContact O-N 3.1Å
105	T	29.4	Very low	36.6	Very low	134 Å²	134	146.8 Å²	146.8	82%	0.822	76%	0.764	S	S	*	*			trans	-85.3	62.9	176.6	41.4	0	0	0	0	112.6
106	K	36.3	Very low	36.3	Very low	164 Å²	164	147.8 Å²	147.8	71%	0.713	76%	0.759	S	S	*	*			trans	-139	108.9	179.3	-95.2	157	-171.5	156.1	0	115.2	L104	L104-K106 VanDerWaalsContact C-N 3.34Å; L104-K106 PolarHBondContact O-N 3.43Å; L104-K106 VanDerWaalsContact O-N 3.1Å
107	R	31	Very low	35.3	Very low	224 Å²	224	143.7 Å²	143.7	85%	0.845	75%	0.746	S	S	*	*			trans	36.9	107	145.6	-66.2	179.4	174.1	166.6	-3.1	119.5	V109	R107-V109 HydrophobicContact CB-CG2 4.48Å
108	L	34.6	Very low	34.5	Very low	173 Å²	173	144.9 Å²	144.9	91%	0.906	76%	0.758	S	S	*	*				-127.2	91	123.7	-67.5	175.8	0	0	0	105.5
109	V	34.4	Very low	34.5	Very low	116 Å²	116	151.8 Å²	151.8	70%	0.703	77%	0.77	S	S	*	*				64.4	119.1	90.8	179.1	0	0	0	0	111.5	R107	R107-V109 HydrophobicContact CB-CG2 4.48Å
110	F	29.1	Very low	34.4	Very low	194 Å²	194	149.2 Å²	149.2	85%	0.851	77%	0.771	S	S	*	*			trans	-74.9	142.6	176.3	-76.7	-110.2	0	0	0	110.3
111	D	32.9	Very low	34.6	Very low	166 Å²	166	148.8 Å²	148.8	89%	0.888	76%	0.764	S	S	*	*			trans	-138	143.3	135.2	-105.1	-42.9	0	0	0	110.8
112	R	30.2	Very low	35.2	Very low	218 Å²	218	144.8 Å²	144.8	82%	0.823	75%	0.748	S	S	*	*			trans	-113	146.4	175.7	-113.6	-179.1	174.1	178.9	-2.1	106.2
113	P	36.3	Very low	35.9	Very low	109 Å²	109	145.1 Å²	145.1	71%	0.708	74%	0.742	S	S	*	*				-152.7	159.1	64.3	37.6	-16.8	0	0	0	118.5
114	N	30.2	Very low	36.8	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	73%	0.726	S	S	*	*			trans	52.3	86.3	142.5	-54.1	-9.2	0	0	0	120.9
115	N	34.4	Very low	37.6	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	70%	0.702	S	S	*	*				-169.1	118	114.4	-105.1	-29.9	0	0	0	116.5
116	I	34.2	Very low	38.8	Very low	141 Å²	141	136.4 Å²	136.4	72%	0.723	69%	0.685	S	S	*	*			trans	32.8	121.8	131	-53.4	-178.3	0	0	0	120.6
117	T	31.2	Very low	39.8	Very low	97 Å²	97	130.7 Å²	130.7	60%	0.595	66%	0.661	S	S	*	*			trans	54.8	91	157.1	61.8	0	0	0	0	121.6
118	S	40.5	Very low	41	Very low	110 Å²	110	120 Å²	120	77%	0.769	62%	0.621	S	S	*	*				-165.6	155.2	114.6	46.2	0	0	0	0	109.5
119	R	39.2	Very low	41.7	Very low	192 Å²	192	116.4 Å²	116.4	73%	0.725	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-86.3	132.8	156	-85.2	-168.4	174.4	-157	-2.2	106.7	I121	R119-I121 PolarHBondContact O-N 2.79Å; R119-I121 VanDerWaalsContact O-N 3.15Å
120	P	38	Very low	42.8	Very low	124 Å²	124	117.8 Å²	117.8	81%	0.805	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-56.9	121.5	170.8	-23.4	33.9	0	0	0	109.5
121	I	41.5	Very low	44	Very low	104 Å²	104	112.5 Å²	112.5	53%	0.533	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-66	134.7	160.5	-62	176.6	0	0	0	105.4	R119 Q125 E126	R119-I121 PolarHBondContact O-N 2.79Å; R119-I121 VanDerWaalsContact O-N 3.15Å; I121-Q125 HydrophobicContact CG2-CB 3.88Å; I121-Q125 HydrophobicContact CG2-CG 4.14Å; I121-E126 HydrophobicContact CG2-CB 4.09Å
122	H	49.8	Very low	45.1	Very low	123 Å²	123	112.5 Å²	112.5	57%	0.569	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-63.8	132	178.1	-167	-89.6	0	0	0	108.2	I124 Q125 E126	H122-I124 CarbonylContact O-C 3.58Å; H122-I124 PolarHBondContact O-N 3.23Å; H122-Q125 WeakPolarHBondContact O-CA 3.14Å; H122-Q125 WeakPolarHBondContact O-CB 3.3Å; H122-Q125 PolarHBondContact O-N 2.68Å; H122-E126 PolarHBondContact O-N 3.45Å
123	P	48.6	Very low	46.5	Very low	97 Å²	97	102.9 Å²	102.9	63%	0.63	54%	0.537	S	S	*	.	H	α-helix	trans	-53.3	-35.3	-172.7	-30.7	36.2	0	0	0	113.9	Q125 E126 E127	P123-Q125 PolarHBondContact O-N 2.84Å; P123-E126 PolarHBondContact O-N 3.26Å; P123-E127 PolarHBondContact O-N 3.3Å
124	I	54.4	Low	47.6	Very low	52 Å²	52	100.9 Å²	100.9	27%	0.267	52%	0.52	S	S	.	.	H	α-helix	trans	-54.4	-50.4	171.1	-61.9	178.2	0	0	0	111.5	H122 E126 E127 M128 W656	H122-I124 CarbonylContact O-C 3.58Å; H122-I124 PolarHBondContact O-N 3.23Å; I124-E126 PolarHBondContact O-N 3.3Å; I124-E127 CarbonylContact O-C 3.55Å; I124-E127 WeakPolarHBondContact O-CA 2.99Å; I124-E127 WeakPolarHBondContact O-CB 3.32Å; I124-E127 PolarHBondContact O-N 3.42Å; I124-E127 VanDerWaalsContact O-N 3.13Å; I124-M128 HydrophobicContact CG2-CG 3.99Å; I124-M128 HydrophobicContact CG2-SD 4.11Å; I124-M128 WeakPolarHBondContact O-CG 3.41Å; I124-M128 PolarHBondContact O-N 3.38Å; I124-W656 HydrophobicContact CG2-CZ2 4.07Å
125	Q	52.7	Low	48.3	Very low	72 Å²	72	97 Å²	97	34%	0.336	50%	0.499	S	S	.	.	H	α-helix	trans	-63.1	-41.8	-177.7	-174.3	66	52.4	0	0	111.7	I121 H122 P123 E127 M128 D129	I121-Q125 HydrophobicContact CG2-CB 3.88Å; I121-Q125 HydrophobicContact CG2-CG 4.14Å; H122-Q125 WeakPolarHBondContact O-CA 3.14Å; H122-Q125 WeakPolarHBondContact O-CB 3.3Å; H122-Q125 PolarHBondContact O-N 2.68Å; P123-Q125 PolarHBondContact O-N 2.84Å; Q125-E127 VanDerWaalsContact C-N 3.27Å; Q125-E127 PolarHBondContact O-N 3.16Å; Q125-M128 WeakPolarHBondContact O-CB 3.47Å; Q125-M128 PolarHBondContact O-N 2.95Å; Q125-M128 VanDerWaalsContact O-N 3.11Å; Q125-D129 PolarHBondContact NE2-OD1 3.08Å; Q125-D129 WeakPolarHBondContact O-CB 3.41Å; Q125-D129 VanDerWaalsContact O-CG 3.23Å; Q125-D129 PolarHBondContact O-N 3.3Å
126	E	54.8	Low	49.1	Very low	102 Å²	102	91.5 Å²	91.5	48%	0.477	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-37.9	175.3	-172.5	172.8	179	0	0	111.2	I121 H122 P123 I124 Q130	I121-E126 HydrophobicContact CG2-CB 4.09Å; H122-E126 PolarHBondContact O-N 3.45Å; P123-E126 PolarHBondContact O-N 3.26Å; I124-E126 PolarHBondContact O-N 3.3Å; E126-Q130 WeakPolarHBondContact O-CB 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.27Å; E126-Q130 PolarHBondContact O-N 3.13Å
127	E	57.8	Low	49.7	Very low	44 Å²	44	90.4 Å²	90.4	21%	0.206	47%	0.465	C	S	.	.	H	α-helix	trans	-68.4	-36.3	171.8	-161.2	-169.7	162.4	0	0	112.9	P123 I124 Q125 K131 H653	P123-E127 PolarHBondContact O-N 3.3Å; I124-E127 CarbonylContact O-C 3.55Å; I124-E127 WeakPolarHBondContact O-CA 2.99Å; I124-E127 WeakPolarHBondContact O-CB 3.32Å; I124-E127 PolarHBondContact O-N 3.42Å; I124-E127 VanDerWaalsContact O-N 3.13Å; Q125-E127 VanDerWaalsContact C-N 3.27Å; Q125-E127 PolarHBondContact O-N 3.16Å; E127-K131 HydrophobicContact CG-CD 3.99Å; E127-K131 VanDerWaalsContact O-CB 3.28Å; E127-K131 WeakPolarHBondContact O-CB 3.44Å; E127-K131 VanDerWaalsContact O-CG 3.27Å; E127-K131 WeakPolarHBondContact O-CG 3.27Å; E127-K131 PolarHBondContact O-N 2.99Å; E127-K131 VanDerWaalsContact OE1-CE 3.29Å; E127-K131 WeakPolarHBondContact OE1-CE 3.33Å; E127-K131 IonicContact OE1-NZ 3.16Å; E127-K131 PolarHBondContact OE1-NZ 3.3Å; E127-H653 IonicContact OE1-CD2 2.76Å; E127-H653 PolarHBondContact OE1-CD2 2.93Å; E127-H653 IonicContact OE1-CG 3.4Å; E127-H653 IonicContact OE2-CD2 3.43Å; E127-H653 PolarHBondContact OE2-CD2 2.76Å; E127-H653 VanDerWaalsContact OE2-CD2 3.29Å
128	M	55.5	Low	50.6	Low	1 Å²	1	90.7 Å²	90.7	1%	0.005	46%	0.46	C	S	.	.	H	α-helix	trans	-64.7	-46.3	176.2	-54.6	-146.2	60.8	0	0	111.1	I124 Q125 K131 Q132 I133 L135 W656 I874	I124-M128 HydrophobicContact CG2-CG 3.99Å; I124-M128 HydrophobicContact CG2-SD 4.11Å; I124-M128 WeakPolarHBondContact O-CG 3.41Å; I124-M128 PolarHBondContact O-N 3.38Å; Q125-M128 WeakPolarHBondContact O-CB 3.47Å; Q125-M128 PolarHBondContact O-N 2.95Å; Q125-M128 VanDerWaalsContact O-N 3.11Å; M128-K131 CarbonylContact O-C 3.55Å; M128-K131 PolarHBondContact O-N 2.93Å; M128-Q132 PolarHBondContact O-N 2.57Å; M128-I133 HydrophobicContact CE-CB 3.72Å; M128-I133 HydrophobicContact CE-CG2 3.4Å; M128-I133 PolarHBondContact O-N 3.4Å; M128-L135 HydrophobicContact CE-CD2 3.72Å; M128-L135 HydrophobicContact CE-CG 3.75Å; M128-L135 HydrophobicContact SD-CD1 3.73Å; M128-L135 HydrophobicContact SD-CD2 3.73Å; M128-L135 HydrophobicContact SD-CG 3.6Å; M128-W656 HydrophobicContact CE-CH2 3.85Å; M128-W656 HydrophobicContact CE-CZ3 4.03Å; M128-W656 HydrophobicContact CG-CH2 3.94Å; M128-W656 HydrophobicContact CG-CZ2 4.49Å; M128-W656 HydrophobicContact SD-CH2 4.16Å; M128-I874 HydrophobicContact CE-CD1 4.29Å
129	D	50.6	Low	51	Low	97 Å²	97	91.5 Å²	91.5	52%	0.519	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-45.3	179.6	-66.7	-11.4	0	0	0	110.6	Q125 K131 Q132	Q125-D129 PolarHBondContact NE2-OD1 3.08Å; Q125-D129 WeakPolarHBondContact O-CB 3.41Å; Q125-D129 VanDerWaalsContact O-CG 3.23Å; Q125-D129 PolarHBondContact O-N 3.3Å; D129-K131 VanDerWaalsContact C-N 3.27Å; D129-K131 PolarHBondContact O-N 2.76Å; D129-Q132 PolarHBondContact O-N 3.46Å
130	Q	56.7	Low	51.6	Low	145 Å²	145	84 Å²	84	68%	0.678	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-30	174.7	-73.2	178.5	24.9	0	0	113.2	E126	E126-Q130 WeakPolarHBondContact O-CB 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.27Å; E126-Q130 PolarHBondContact O-N 3.13Å
131	K	55.2	Low	52.3	Low	83 Å²	83	79.4 Å²	79.4	36%	0.361	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	3.2	-179.1	-66.2	-178.5	-179.3	-174.3	0	114.5	E127 M128 D129 I133 Q651	E127-K131 HydrophobicContact CG-CD 3.99Å; E127-K131 VanDerWaalsContact O-CB 3.28Å; E127-K131 WeakPolarHBondContact O-CB 3.44Å; E127-K131 VanDerWaalsContact O-CG 3.27Å; E127-K131 WeakPolarHBondContact O-CG 3.27Å; E127-K131 PolarHBondContact O-N 2.99Å; E127-K131 VanDerWaalsContact OE1-CE 3.29Å; E127-K131 WeakPolarHBondContact OE1-CE 3.33Å; E127-K131 IonicContact OE1-NZ 3.16Å; E127-K131 PolarHBondContact OE1-NZ 3.3Å; M128-K131 CarbonylContact O-C 3.55Å; M128-K131 PolarHBondContact O-N 2.93Å; D129-K131 VanDerWaalsContact C-N 3.27Å; D129-K131 PolarHBondContact O-N 2.76Å; K131-I133 VanDerWaalsContact C-N 3.28Å; K131-I133 HydrophobicContact CB-CD1 3.78Å; K131-I133 HydrophobicContact CB-CG1 3.79Å; K131-I133 HydrophobicContact CD-CD1 4.41Å; K131-I133 WeakPolarHBondContact O-CG1 3.42Å; K131-I133 PolarHBondContact O-N 3.21Å; K131-Q651 WeakPolarHBondContact CE-O 3.47Å; K131-Q651 PolarHBondContact NZ-O 3.32Å
132	Q	55.7	Low	52.7	Low	166 Å²	166	77.4 Å²	77.4	78%	0.776	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.6	-177.2	-56.5	-169.2	-30.4	0	0	114.1	M128 D129	M128-Q132 PolarHBondContact O-N 2.57Å; D129-Q132 PolarHBondContact O-N 3.46Å
133	I	59.7	Low	52.6	Low	15 Å²	15	74.6 Å²	74.6	8%	0.077	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-96.8	125	-177.3	-54.1	-178.2	0	0	0	109.6	M128 K131 L652 W656 C862	M128-I133 HydrophobicContact CE-CB 3.72Å; M128-I133 HydrophobicContact CE-CG2 3.4Å; M128-I133 PolarHBondContact O-N 3.4Å; K131-I133 VanDerWaalsContact C-N 3.28Å; K131-I133 HydrophobicContact CB-CD1 3.78Å; K131-I133 HydrophobicContact CB-CG1 3.79Å; K131-I133 HydrophobicContact CD-CD1 4.41Å; K131-I133 WeakPolarHBondContact O-CG1 3.42Å; K131-I133 PolarHBondContact O-N 3.21Å; I133-L652 HydrophobicContact CD1-CD1 3.97Å; I133-W656 HydrophobicContact CD1-CH2 4.09Å; I133-W656 HydrophobicContact CD1-CZ3 3.55Å; I133-W656 HydrophobicContact CG2-CZ3 4.16Å; I133-C862 HydrophobicContact CG2-CB 4.18Å; I133-C862 WeakPolarHBondContact CG2-SG 3.34Å
134	I	57.9	Low	52.6	Low	68 Å²	68	72.2 Å²	72.2	35%	0.349	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.9	-178.9	-61.9	-174.5	0	0	0	110.3	C862	I134-C862 PolarHBondContact O-N 3.11Å; I134-C862 VanDerWaalsContact O-N 3.08Å
135	L	47	Very low	52.5	Low	53 Å²	53	71.4 Å²	71.4	28%	0.277	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.7	163.2	-69.6	173.4	0	0	0	110.1	M128 C864 I874	M128-L135 HydrophobicContact CE-CD2 3.72Å; M128-L135 HydrophobicContact CE-CG 3.75Å; M128-L135 HydrophobicContact SD-CD1 3.73Å; M128-L135 HydrophobicContact SD-CD2 3.73Å; M128-L135 HydrophobicContact SD-CG 3.6Å; L135-C864 WeakPolarHBondContact CD2-SG 3.49Å; L135-I874 HydrophobicContact CD2-CD1 4.22Å
136	L	49.8	Very low	52.1	Low	36 Å²	36	70.7 Å²	70.7	19%	0.188	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.5	162	-61.7	173.7	0	0	0	107.8	T861 C862	L136-T861 HydrophobicContact CD1-CG2 4.03Å; L136-T861 HydrophobicContact CG-CG2 4.15Å; L136-C862 PolarHBondContact N-O 2.9Å
137	D	48.1	Very low	52.2	Low	117 Å²	117	69.1 Å²	69.1	63%	0.626	37%	0.373	S	S	*	.			trans	-63.9	149.8	171.3	-70.5	-35.1	0	0	0	109.6	D139 T140	D137-D139 PolarHBondContact O-N 2.71Å; D137-D139 VanDerWaalsContact O-N 3.11Å; D137-T140 HydrophobicContact CB-CG2 3.93Å; D137-T140 PolarHBondContact N-OG1 2.95Å; D137-T140 VanDerWaalsContact N-OG1 3.08Å; D137-T140 PolarHBondContact O-N 2.83Å; D137-T140 PolarHBondContact O-OG1 3.36Å
138	E	49.2	Very low	51.9	Low	103 Å²	103	71.8 Å²	71.8	48%	0.481	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.5	-170.9	-63	-159.2	110.9	0	0	113.8	G869	E138-G869 VanDerWaalsContact OE2-CA 3.23Å; E138-G869 WeakPolarHBondContact OE2-CA 3.2Å; E138-G869 PolarHBondContact OE2-N 2.86Å
139	D	49.1	Very low	51.8	Low	128 Å²	128	73 Å²	73	68%	0.684	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	14.7	178.9	-67.6	-41	0	0	0	113.8	D137 P146 A147	D137-D139 PolarHBondContact O-N 2.71Å; D137-D139 VanDerWaalsContact O-N 3.11Å; D139-P146 CarbonylContact O-C 3.57Å; D139-P146 VanDerWaalsContact O-CA 3.23Å; D139-P146 WeakPolarHBondContact O-CA 3.32Å; D139-A147 PolarHBondContact O-N 3.33Å
140	T	51	Low	52.3	Low	35 Å²	35	72.2 Å²	72.2	22%	0.215	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-112.4	145.7	-179.5	57.6	0	0	0	0	114.4	D137 L145	D137-T140 HydrophobicContact CB-CG2 3.93Å; D137-T140 PolarHBondContact N-OG1 2.95Å; D137-T140 VanDerWaalsContact N-OG1 3.08Å; D137-T140 PolarHBondContact O-N 2.83Å; D137-T140 PolarHBondContact O-OG1 3.36Å; T140-L145 CarbonylContact C-O 3.58Å; T140-L145 WeakPolarHBondContact CA-O 3.46Å
141	D	53.5	Low	52.1	Low	26 Å²	26	70.9 Å²	70.9	14%	0.139	40%	0.399	C	S	.	.			trans	-81.1	179.2	174	81.1	-0.5	0	0	0	112.9	N143 G144 L145 R154	D141-N143 PolarHBondContact O-N 3.4Å; D141-N143 WeakPolarHBondContact OD1-CA 3.37Å; D141-N143 VanDerWaalsContact OD1-CB 3.3Å; D141-N143 WeakPolarHBondContact OD1-CB 3.45Å; D141-N143 PolarHBondContact OD1-N 3.18Å; D141-N143 PolarHBondContact OD1-ND2 2.76Å; D141-N143 PolarHBondContact OD2-ND2 2.75Å; D141-N143 VanDerWaalsContact OD2-ND2 3.09Å; D141-G144 PolarHBondContact O-N 2.67Å; D141-G144 PolarHBondContact OD1-N 3.48Å; D141-G144 VanDerWaalsContact OD1-N 3.14Å; D141-L145 PolarHBondContact N-O 2.95Å; D141-L145 PolarHBondContact OD1-N 3.32Å; D141-R154 IonicContact OD2-CZ 2.7Å; D141-R154 VanDerWaalsContact OD2-CZ 3.29Å; D141-R154 IonicContact OD2-NH1 3.18Å; D141-R154 PolarHBondContact OD2-NH1 3.36Å; D141-R154 IonicContact OD2-NH2 3.99Å; D141-R154 PolarHBondContact OD2-NH2 3.05Å
142	E	49	Very low	52.2	Low	63 Å²	63	71.1 Å²	71.1	29%	0.294	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	2.8	-178	68.3	-171.2	132.3	0	0	115	R634	E142-R634 IonicContact OE2-CZ 2.86Å; E142-R634 IonicContact OE2-NH1 3.33Å; E142-R634 PolarHBondContact OE2-NH1 3.23Å; E142-R634 IonicContact OE2-NH2 3.7Å
143	N	49.4	Very low	52.1	Low	64 Å²	64	66.1 Å²	66.1	34%	0.342	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-4.7	175.6	-40	-77	0	0	0	113	D141 T499	D141-N143 PolarHBondContact O-N 3.4Å; D141-N143 WeakPolarHBondContact OD1-CA 3.37Å; D141-N143 VanDerWaalsContact OD1-CB 3.3Å; D141-N143 WeakPolarHBondContact OD1-CB 3.45Å; D141-N143 PolarHBondContact OD1-N 3.18Å; D141-N143 PolarHBondContact OD1-ND2 2.76Å; D141-N143 PolarHBondContact OD2-ND2 2.75Å; D141-N143 VanDerWaalsContact OD2-ND2 3.09Å; N143-T499 HydrophobicContact CB-CG2 4.01Å; N143-T499 VanDerWaalsContact CG-CG2 3.42Å; N143-T499 VanDerWaalsContact OD1-CB 3.25Å; N143-T499 WeakPolarHBondContact OD1-CB 3.44Å; N143-T499 WeakPolarHBondContact OD1-CG2 3.42Å
144	G	47.8	Very low	52	Low	47 Å²	47	67.1 Å²	67.1	49%	0.485	38%	0.383	S	S	.	.	S	Bend	trans	82.8	13.3	-174.4	0	0	0	0	0	114.8	D141	D141-G144 PolarHBondContact O-N 2.67Å; D141-G144 PolarHBondContact OD1-N 3.48Å; D141-G144 VanDerWaalsContact OD1-N 3.14Å
145	L	51.1	Low	51.9	Low	35 Å²	35	69.5 Å²	69.5	18%	0.183	39%	0.39	C	S	.	.			trans	-87	144.3	172.3	-66.5	168.9	0	0	0	109.8	T140 D141 A147 V158	T140-L145 CarbonylContact C-O 3.58Å; T140-L145 WeakPolarHBondContact CA-O 3.46Å; D141-L145 PolarHBondContact N-O 2.95Å; D141-L145 PolarHBondContact OD1-N 3.32Å; L145-A147 PolarHBondContact O-N 2.99Å; L145-V158 HydrophobicContact CD1-CG2 3.77Å; L145-V158 HydrophobicContact CD2-CG2 4.11Å
146	P	46.1	Very low	52.2	Low	57 Å²	57	69.8 Å²	69.8	37%	0.37	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-62	133.6	177.8	-17.7	27.4	0	0	0	112	D139 S148 L149	D139-P146 CarbonylContact O-C 3.57Å; D139-P146 VanDerWaalsContact O-CA 3.23Å; D139-P146 WeakPolarHBondContact O-CA 3.32Å; P146-S148 PolarHBondContact O-N 2.85Å; P146-S148 VanDerWaalsContact O-N 3.08Å; P146-L149 HydrophobicContact CB-CD1 3.64Å; P146-L149 HydrophobicContact CG-CD1 3.75Å; P146-L149 PolarHBondContact O-N 3.3Å; P146-L149 VanDerWaalsContact O-N 3.09Å
147	A	56.5	Low	52.2	Low	69 Å²	69	71.3 Å²	71.3	57%	0.57	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.7	-176.8	0	0	0	0	0	113.6	D139 L145	D139-A147 PolarHBondContact O-N 3.33Å; L145-A147 PolarHBondContact O-N 2.99Å
148	S	50.7	Low	52.3	Low	100 Å²	100	67.4 Å²	67.4	70%	0.699	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-7	174.3	52.8	0	0	0	0	114.6	P146 T150	P146-S148 PolarHBondContact O-N 2.85Å; P146-S148 VanDerWaalsContact O-N 3.08Å; S148-T150 PolarHBondContact O-N 2.92Å
149	L	54.8	Low	52.1	Low	26 Å²	26	65.4 Å²	65.4	14%	0.136	37%	0.373	C	S	.	.			trans	-72.5	123.3	173.5	-87.1	64.6	0	0	0	110.7	P146 D153 R154 I157	P146-L149 HydrophobicContact CB-CD1 3.64Å; P146-L149 HydrophobicContact CG-CD1 3.75Å; P146-L149 PolarHBondContact O-N 3.3Å; P146-L149 VanDerWaalsContact O-N 3.09Å; L149-D153 HydrophobicContact CB-CB 4Å; L149-D153 HydrophobicContact CG-CB 3.93Å; L149-R154 HydrophobicContact CB-CG 3.96Å; L149-R154 HydrophobicContact CD2-CG 4.35Å; L149-R154 PolarHBondContact O-NE 2.94Å; L149-I157 HydrophobicContact CD1-CD1 4.39Å; L149-I157 HydrophobicContact CD2-CB 4.08Å; L149-I157 HydrophobicContact CD2-CD1 3.64Å; L149-I157 HydrophobicContact CD2-CG1 4.44Å; L149-I157 HydrophobicContact CD2-CG2 4.1Å; L149-I157 HydrophobicContact CG-CD1 3.85Å
150	T	59.9	Low	51.6	Low	81 Å²	81	64 Å²	64	50%	0.497	36%	0.364	S	S	.	.			trans	-68.2	166.3	167.1	71.1	0	0	0	0	111.3	S148 E152 D153 R154	S148-T150 PolarHBondContact O-N 2.92Å; T150-E152 VanDerWaalsContact C-N 3.26Å; T150-E152 PolarHBondContact O-N 3.16Å; T150-D153 WeakPolarHBondContact CB-OD2 3.09Å; T150-D153 WeakPolarHBondContact CG2-OD2 3.26Å; T150-D153 PolarHBondContact N-OD2 2.85Å; T150-D153 VanDerWaalsContact N-OD2 3.11Å; T150-D153 CarbonylContact O-C 3.55Å; T150-D153 WeakPolarHBondContact O-CA 3.28Å; T150-D153 WeakPolarHBondContact O-CB 3.5Å; T150-D153 PolarHBondContact O-N 2.95Å; T150-D153 VanDerWaalsContact OG1-CG 3.26Å; T150-D153 PolarHBondContact OG1-N 3.12Å; T150-D153 PolarHBondContact OG1-OD2 3.29Å; T150-R154 WeakPolarHBondContact O-CG 3.26Å; T150-R154 PolarHBondContact O-N 3.17Å
151	D	52.8	Low	50.9	Low	116 Å²	116	65.3 Å²	65.3	62%	0.62	38%	0.378	S	S	*	.	H	α-helix	trans	-61.8	-32.5	178.6	-67	-23.3	0	0	0	113.4	K155	D151-K155 WeakPolarHBondContact O-CB 3.44Å; D151-K155 PolarHBondContact O-N 2.78Å
152	E	57.9	Low	50.2	Low	89 Å²	89	68.5 Å²	68.5	42%	0.416	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-40.3	170.7	-73.9	-66.2	138.5	0	0	111	T150 R154 K155 F156	T150-E152 VanDerWaalsContact C-N 3.26Å; T150-E152 PolarHBondContact O-N 3.16Å; E152-R154 PolarHBondContact O-N 3.04Å; E152-K155 WeakPolarHBondContact O-CB 3.43Å; E152-K155 PolarHBondContact O-N 2.87Å; E152-K155 IonicContact OE1-NZ 3.45Å; E152-K155 PolarHBondContact OE1-NZ 3.41Å; E152-K155 IonicContact OE2-NZ 2.79Å; E152-F156 HydrophobicContact CB-CE2 4.12Å; E152-F156 WeakPolarHBondContact O-CD2 3.26Å; E152-F156 VanDerWaalsContact O-CE2 3.28Å; E152-F156 WeakPolarHBondContact O-CE2 3.43Å; E152-F156 PolarHBondContact O-N 3.4Å; E152-F156 VanDerWaalsContact O-N 3.12Å; E152-F156 WeakPolarHBondContact OE2-CE2 3.43Å; E152-F156 WeakPolarHBondContact OE2-CZ 3.43Å
153	D	52.7	Low	49.7	Very low	60 Å²	60	70.4 Å²	70.4	32%	0.321	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-42.5	173.9	-61.1	-57.2	0	0	0	111.8	L149 T150 K155 F156 I157	L149-D153 HydrophobicContact CB-CB 4Å; L149-D153 HydrophobicContact CG-CB 3.93Å; T150-D153 WeakPolarHBondContact CB-OD2 3.09Å; T150-D153 WeakPolarHBondContact CG2-OD2 3.26Å; T150-D153 PolarHBondContact N-OD2 2.85Å; T150-D153 VanDerWaalsContact N-OD2 3.11Å; T150-D153 CarbonylContact O-C 3.55Å; T150-D153 WeakPolarHBondContact O-CA 3.28Å; T150-D153 WeakPolarHBondContact O-CB 3.5Å; T150-D153 PolarHBondContact O-N 2.95Å; T150-D153 VanDerWaalsContact OG1-CG 3.26Å; T150-D153 PolarHBondContact OG1-N 3.12Å; T150-D153 PolarHBondContact OG1-OD2 3.29Å; D153-K155 VanDerWaalsContact C-N 3.3Å; D153-K155 PolarHBondContact O-N 2.61Å; D153-F156 PolarHBondContact O-N 2.83Å; D153-I157 HydrophobicContact CB-CD1 4.15Å; D153-I157 VanDerWaalsContact O-CB 3.26Å; D153-I157 WeakPolarHBondContact O-CB 3.42Å; D153-I157 WeakPolarHBondContact O-CG1 3.27Å; D153-I157 PolarHBondContact O-N 2.72Å
154	R	57.2	Low	49	Very low	37 Å²	37	74 Å²	74	14%	0.14	42%	0.421	C	S	.	.	H	α-helix	trans	-55.4	-46.9	173.8	-70.3	168.5	174.1	-95.4	-22.6	110.8	D141 L149 T150 E152 F156 I157 V158	D141-R154 IonicContact OD2-CZ 2.7Å; D141-R154 VanDerWaalsContact OD2-CZ 3.29Å; D141-R154 IonicContact OD2-NH1 3.18Å; D141-R154 PolarHBondContact OD2-NH1 3.36Å; D141-R154 IonicContact OD2-NH2 3.99Å; D141-R154 PolarHBondContact OD2-NH2 3.05Å; L149-R154 HydrophobicContact CB-CG 3.96Å; L149-R154 HydrophobicContact CD2-CG 4.35Å; L149-R154 PolarHBondContact O-NE 2.94Å; T150-R154 WeakPolarHBondContact O-CG 3.26Å; T150-R154 PolarHBondContact O-N 3.17Å; E152-R154 PolarHBondContact O-N 3.04Å; R154-F156 VanDerWaalsContact C-N 3.28Å; R154-F156 PolarHBondContact O-N 3.35Å; R154-I157 PolarHBondContact O-N 3.34Å; R154-V158 WeakPolarHBondContact O-CB 3.26Å; R154-V158 WeakPolarHBondContact O-CG2 3.48Å; R154-V158 PolarHBondContact O-N 3.14Å
155	K	56.4	Low	48.3	Very low	117 Å²	117	78.1 Å²	78.1	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-66.2	-19.2	179.6	-179.4	179.7	176.8	-176.3	0	114.5	D151 E152 D153 P159	D151-K155 WeakPolarHBondContact O-CB 3.44Å; D151-K155 PolarHBondContact O-N 2.78Å; E152-K155 WeakPolarHBondContact O-CB 3.43Å; E152-K155 PolarHBondContact O-N 2.87Å; E152-K155 IonicContact OE1-NZ 3.45Å; E152-K155 PolarHBondContact OE1-NZ 3.41Å; E152-K155 IonicContact OE2-NZ 2.79Å; D153-K155 VanDerWaalsContact C-N 3.3Å; D153-K155 PolarHBondContact O-N 2.61Å; K155-P159 WeakPolarHBondContact O-CD 3.11Å; K155-P159 WeakPolarHBondContact O-CG 3.45Å
156	F	53.8	Low	47.3	Very low	59 Å²	59	81 Å²	81	26%	0.259	45%	0.454	S	S	.	.	H	α-helix	trans	-99.7	-41.7	169.7	-58.5	-55	0	0	0	113.2	E152 D153 R154 M160 R978	E152-F156 HydrophobicContact CB-CE2 4.12Å; E152-F156 WeakPolarHBondContact O-CD2 3.26Å; E152-F156 VanDerWaalsContact O-CE2 3.28Å; E152-F156 WeakPolarHBondContact O-CE2 3.43Å; E152-F156 PolarHBondContact O-N 3.4Å; E152-F156 VanDerWaalsContact O-N 3.12Å; E152-F156 WeakPolarHBondContact OE2-CE2 3.43Å; E152-F156 WeakPolarHBondContact OE2-CZ 3.43Å; D153-F156 PolarHBondContact O-N 2.83Å; R154-F156 VanDerWaalsContact C-N 3.28Å; R154-F156 PolarHBondContact O-N 3.35Å; F156-M160 VanDerWaalsContact O-CB 3.29Å; F156-M160 WeakPolarHBondContact O-CB 3.49Å; F156-M160 VanDerWaalsContact O-CG 3.27Å; F156-M160 WeakPolarHBondContact O-CG 3.19Å; F156-M160 PolarHBondContact O-N 3.25Å; F156-R978 VanDerWaalsContact CE1-NH1 3.33Å
157	I	49.1	Very low	46.5	Very low	68 Å²	68	83.6 Å²	83.6	35%	0.349	47%	0.47	S	S	.	.	H	α-helix	trans	-73.4	-38.3	-173.5	-68.4	169.8	0	0	0	111.8	L149 D153 R154 M160 A161	L149-I157 HydrophobicContact CD1-CD1 4.39Å; L149-I157 HydrophobicContact CD2-CB 4.08Å; L149-I157 HydrophobicContact CD2-CD1 3.64Å; L149-I157 HydrophobicContact CD2-CG1 4.44Å; L149-I157 HydrophobicContact CD2-CG2 4.1Å; L149-I157 HydrophobicContact CG-CD1 3.85Å; D153-I157 HydrophobicContact CB-CD1 4.15Å; D153-I157 VanDerWaalsContact O-CB 3.26Å; D153-I157 WeakPolarHBondContact O-CB 3.42Å; D153-I157 WeakPolarHBondContact O-CG1 3.27Å; D153-I157 PolarHBondContact O-N 2.72Å; R154-I157 PolarHBondContact O-N 3.34Å; I157-M160 PolarHBondContact O-N 3.14Å; I157-A161 WeakPolarHBondContact O-CB 3.41Å; I157-A161 PolarHBondContact O-N 3.36Å
158	V	50	Low	45.3	Very low	35 Å²	35	87.2 Å²	87.2	21%	0.212	48%	0.48	C	S	.	.	H	α-helix	trans	-64.5	-48.8	177.2	173.4	0	0	0	0	111.1	L145 R154 M160 A161 L162 V497	L145-V158 HydrophobicContact CD1-CG2 3.77Å; L145-V158 HydrophobicContact CD2-CG2 4.11Å; R154-V158 WeakPolarHBondContact O-CB 3.26Å; R154-V158 WeakPolarHBondContact O-CG2 3.48Å; R154-V158 PolarHBondContact O-N 3.14Å; V158-M160 PolarHBondContact O-N 2.7Å; V158-A161 PolarHBondContact O-N 2.79Å; V158-L162 HydrophobicContact CG1-CD1 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.11Å; V158-V497 HydrophobicContact CG1-CB 4.46Å; V158-V497 HydrophobicContact CG1-CG2 3.61Å
159	P	45.2	Very low	44.4	Very low	62 Å²	62	88.2 Å²	88.2	40%	0.403	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-35.4	169.9	-27.1	37.7	0	0	0	114.2	K155 L162 K163	K155-P159 WeakPolarHBondContact O-CD 3.11Å; K155-P159 WeakPolarHBondContact O-CG 3.45Å; P159-L162 PolarHBondContact O-N 3.34Å; P159-K163 WeakPolarHBondContact O-CB 3.33Å; P159-K163 PolarHBondContact O-N 2.87Å
160	M	38.7	Very low	43.5	Very low	99 Å²	99	97 Å²	97	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-68.4	-40.4	177.1	-82.3	171.5	46.9	0	0	113	F156 I157 V158 L162 K163 N164	F156-M160 VanDerWaalsContact O-CB 3.29Å; F156-M160 WeakPolarHBondContact O-CB 3.49Å; F156-M160 VanDerWaalsContact O-CG 3.27Å; F156-M160 WeakPolarHBondContact O-CG 3.19Å; F156-M160 PolarHBondContact O-N 3.25Å; I157-M160 PolarHBondContact O-N 3.14Å; V158-M160 PolarHBondContact O-N 2.7Å; M160-L162 VanDerWaalsContact C-N 3.29Å; M160-L162 PolarHBondContact O-N 3.05Å; M160-K163 PolarHBondContact O-N 3.36Å; M160-N164 WeakPolarHBondContact O-CB 3.19Å; M160-N164 VanDerWaalsContact O-CG 3.3Å; M160-N164 PolarHBondContact O-N 3.17Å; M160-N164 PolarHBondContact O-ND2 3.04Å
161	A	37.5	Very low	42.1	Very low	62 Å²	62	104.8 Å²	104.8	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-61.2	-40.5	174.7	0	0	0	0	0	111.2	I157 V158	I157-A161 WeakPolarHBondContact O-CB 3.41Å; I157-A161 PolarHBondContact O-N 3.36Å; V158-A161 PolarHBondContact O-N 2.79Å
162	L	38.3	Very low	41.2	Very low	92 Å²	92	104 Å²	104	48%	0.482	55%	0.546	S	S	.	.	H	α-helix	trans	-73.6	-33.8	174.7	-65.3	171.8	0	0	0	112.9	V158 P159 M160 I165 V497	V158-L162 HydrophobicContact CG1-CD1 4.3Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.11Å; P159-L162 PolarHBondContact O-N 3.34Å; M160-L162 VanDerWaalsContact C-N 3.29Å; M160-L162 PolarHBondContact O-N 3.05Å; L162-I165 VanDerWaalsContact O-CB 3.24Å; L162-I165 WeakPolarHBondContact O-CB 3.49Å; L162-I165 PolarHBondContact O-N 2.95Å; L162-I165 VanDerWaalsContact O-N 3.11Å; L162-V497 HydrophobicContact CD1-CG2 4.43Å
163	K	37.7	Very low	40.1	Very low	104 Å²	104	104.6 Å²	104.6	45%	0.452	57%	0.566	S	S	.	*	H	α-helix	trans	-79.8	-18.1	-179.7	-167.2	170.5	-178.1	179.3	0	113.4	P159 M160 I165 E977	P159-K163 WeakPolarHBondContact O-CB 3.33Å; P159-K163 PolarHBondContact O-N 2.87Å; M160-K163 PolarHBondContact O-N 3.36Å; K163-I165 PolarHBondContact O-N 2.82Å; K163-E977 IonicContact NZ-OE1 3.04Å; K163-E977 PolarHBondContact NZ-OE1 2.76Å; K163-E977 IonicContact NZ-OE2 3.45Å; K163-E977 PolarHBondContact NZ-OE2 3.38Å
164	N	34.4	Very low	39.2	Very low	139 Å²	139	107.9 Å²	107.9	74%	0.743	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-14.1	164.3	-74.6	-23.1	0	0	0	112.4	M160 S166	M160-N164 WeakPolarHBondContact O-CB 3.19Å; M160-N164 VanDerWaalsContact O-CG 3.3Å; M160-N164 PolarHBondContact O-N 3.17Å; M160-N164 PolarHBondContact O-ND2 3.04Å; N164-S166 PolarHBondContact O-N 3.3Å
165	I	33.6	Very low	38.1	Very low	134 Å²	134	112.2 Å²	112.2	69%	0.687	62%	0.619	S	S	*	*	S	Bend	trans	-78.9	69.1	158.1	-45.7	176.6	0	0	0	107.5	L162 K163	L162-I165 VanDerWaalsContact O-CB 3.24Å; L162-I165 WeakPolarHBondContact O-CB 3.49Å; L162-I165 PolarHBondContact O-N 2.95Å; L162-I165 VanDerWaalsContact O-N 3.11Å; K163-I165 PolarHBondContact O-N 2.82Å
166	S	29.7	Very low	37.3	Very low	95 Å²	95	111.9 Å²	111.9	66%	0.664	63%	0.629	S	S	*	*			trans	-65.3	143	-174.7	-163.1	0	0	0	0	111.7	N164	N164-S166 PolarHBondContact O-N 3.3Å
167	P	30.4	Very low	36.4	Very low	111 Å²	111	114.5 Å²	114.5	72%	0.721	66%	0.655	S	S	*	*			trans	-70.2	162.8	-173.1	27.9	-36.2	0	0	0	115
168	D	31	Very low	36.1	Very low	145 Å²	145	116.4 Å²	116.4	78%	0.775	67%	0.671	S	S	*	*			trans	-50.3	114.2	-171.5	-170.9	6.1	0	0	0	114.8	R170	D168-R170 PolarHBondContact O-N 3.06Å
169	P	32.4	Very low	35.6	Very low	121 Å²	121	120.1 Å²	120.1	79%	0.786	70%	0.699	S	S	*	*			trans	-90.6	77.7	-172.5	35.8	-35.6	0	0	0	112.9
170	R	34.8	Very low	35.6	Very low	211 Å²	211	121.3 Å²	121.3	80%	0.796	71%	0.714	S	S	*	*			trans	-141.7	67.7	175.4	-121.3	176	-172.8	-171.8	3.1	117.2	D168	D168-R170 PolarHBondContact O-N 3.06Å
171	W	29.7	Very low	35.7	Very low	244 Å²	244	124.3 Å²	124.3	92%	0.924	73%	0.731	S	S	*	*			trans	-118.8	99.5	158	-84.9	-39.9	0	0	0	111.1
172	A	34.1	Very low	35.8	Very low	99 Å²	99	129.6 Å²	129.6	82%	0.818	75%	0.745	S	S	*	*			trans	-167.3	131.8	162.9	0	0	0	0	0	113.4
173	A	35.8	Very low	36.1	Very low	102 Å²	102	129.6 Å²	129.6	84%	0.843	75%	0.751	S	S	*	*			trans	61.1	150.9	159.3	0	0	0	0	0	120.5
174	T	33.5	Very low	36.5	Very low	130 Å²	130	131.7 Å²	131.7	80%	0.798	77%	0.767	S	S	*	*			trans	-155.3	163.7	-175.6	-53.1	0	0	0	0	110.7
175	T	33.9	Very low	36.8	Very low	127 Å²	127	129 Å²	129	78%	0.779	77%	0.765	S	S	*	*			trans	94.2	150.3	167	73.1	0	0	0	0	118
176	P	38.9	Very low	37	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	77%	0.773	S	S	*	*			cis	-145.4	170.9	-37.8	38.3	-21.5	0	0	0	117.5
177	S	36	Very low	37.3	Very low	115 Å²	115	131.4 Å²	131.4	80%	0.804	77%	0.773	S	S	*	*			trans	84.6	162.7	143.8	-96.5	0	0	0	0	121.7
178	P	43.4	Very low	37.6	Very low	107 Å²	107	134 Å²	134	70%	0.695	78%	0.779	S	S	*	*				-146.5	-174.5	-121.3	45.3	-24.3	0	0	0	119.9
179	S	39.4	Very low	37.8	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	77%	0.774	S	S	*	*			trans	77.1	135.8	148.3	-59.9	0	0	0	0	123.1
180	A	44.2	Very low	37.7	Very low	87 Å²	87	132 Å²	132	72%	0.719	77%	0.773	S	S	*	*				156.2	128.6	108.1	0	0	0	0	0	119.1
181	L	41.9	Very low	37.6	Very low	161 Å²	161	129.8 Å²	129.8	84%	0.843	78%	0.776	S	S	*	*			trans	62.5	143.7	145	-55.5	167	0	0	0	121.6
182	Q	38.3	Very low	37.9	Very low	173 Å²	173	124.8 Å²	124.8	81%	0.808	77%	0.772	S	S	*	*			cis	86.2	164.2	28.2	-82.7	-155.7	15.2	0	0	116.9
183	P	45.7	Very low	37.9	Very low	92 Å²	92	125.1 Å²	125.1	60%	0.597	77%	0.766	S	S	*	*			cis	-140.6	-160.4	5.1	32.4	-7	0	0	0	116.8
184	N	44.7	Very low	37.8	Very low	148 Å²	148	126 Å²	126	79%	0.791	77%	0.766	S	S	*	*			trans	86.3	132	158.8	-62.5	-35.3	0	0	0	118.1
185	A	40.6	Very low	38	Very low	84 Å²	84	125.5 Å²	125.5	69%	0.694	77%	0.765	S	S	*	*			cis	-166.2	172.1	4.2	0	0	0	0	0	107.9
186	K	38.4	Very low	37.8	Very low	200 Å²	200	127.4 Å²	127.4	87%	0.87	77%	0.769	S	S	*	*			cis	-170.3	165.8	-11.3	-102.6	174.6	176.8	-179.2	0	104.4
187	A	37.3	Very low	37.5	Very low	79 Å²	79	126.9 Å²	126.9	65%	0.653	77%	0.774	S	S	*	*			cis	-171.6	-179.2	-20	0	0	0	0	0	108.5
188	I	36.3	Very low	37.2	Very low	165 Å²	165	129.6 Å²	129.6	85%	0.846	77%	0.774	S	S	*	*			trans	70.1	121.5	167.5	-56.4	172.6	0	0	0	116.6
189	S	34.8	Very low	36.6	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	78%	0.783	S	S	*	*			cis	-166	150.5	-12.8	56.9	0	0	0	0	113.8
190	T	29.2	Very low	36.2	Very low	126 Å²	126	134.5 Å²	134.5	77%	0.773	79%	0.785	S	S	*	*			trans	75.7	75	148.9	-39.6	0	0	0	0	121.4
191	I	34.7	Very low	35.7	Very low	165 Å²	165	133.8 Å²	133.8	85%	0.846	79%	0.786	S	S	*	*			trans	-141	142.3	133.9	-59.2	-179.1	0	0	0	107.4
192	V	34.7	Very low	35.2	Very low	139 Å²	139	132.5 Å²	132.5	84%	0.842	78%	0.78	S	S	*	*			trans	-103.7	115.2	-175.2	-179.6	0	0	0	0	111.7
193	P	34.3	Very low	35.1	Very low	107 Å²	107	130.3 Å²	130.3	70%	0.695	78%	0.781	S	S	*	*				-145.9	154.8	128	38.4	-25.1	0	0	0	114
194	S	34.1	Very low	34.6	Very low	119 Å²	119	130 Å²	130	83%	0.832	78%	0.777	S	S	*	*			trans	-173	161.7	168.9	-88.9	0	0	0	0	112.5
195	P	37.4	Very low	34.4	Very low	120 Å²	120	125.7 Å²	125.7	78%	0.779	76%	0.759	S	S	*	*			cis	-131.1	167.3	-20.6	36	-19.5	0	0	0	114.3
196	L	29	Very low	34.8	Very low	167 Å²	167	128.7 Å²	128.7	87%	0.874	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-80.9	145.7	158.2	-90	149.6	0	0	0	109.9
197	A	32.6	Very low	35.6	Very low	99 Å²	99	124.6 Å²	124.6	82%	0.818	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-93	137.6	162.5	0	0	0	0	0	109.8
198	Q	29.9	Very low	36.5	Very low	172 Å²	172	123.9 Å²	123.9	80%	0.804	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-95.2	147.1	175.7	-65.1	177.3	-96.5	0	0	110.8
199	V	31.5	Very low	37.2	Very low	145 Å²	145	118.5 Å²	118.5	88%	0.879	71%	0.708	S	S	*	*			trans	-132	123.9	155.7	178	0	0	0	0	106.3
200	E	31	Very low	38.1	Very low	179 Å²	179	118.8 Å²	118.8	84%	0.836	70%	0.701	S	S	*	*			trans	-86.6	152.4	176.1	-67.2	176.8	120.9	0	0	110.7
201	G	32.6	Very low	39.6	Very low	72 Å²	72	117.9 Å²	117.9	74%	0.742	69%	0.687	S	S	*	*			trans	-174.7	122.9	176.9	0	0	0	0	0	110.5
202	D	32.6	Very low	41.2	Very low	135 Å²	135	116 Å²	116	72%	0.722	67%	0.672	S	S	*	*			trans	-67.3	137.1	-164.6	-78.3	-67	0	0	0	115.2	T204	D202-T204 HydrophobicContact CB-CG2 4.39Å; D202-T204 PolarHBondContact O-N 2.72Å
203	P	35.6	Very low	42.2	Very low	126 Å²	126	114.9 Å²	114.9	82%	0.818	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	39.7	173.1	36	-36.5	0	0	0	113
204	T	34.8	Very low	43.8	Very low	86 Å²	86	114.1 Å²	114.1	53%	0.528	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.3	0.5	177.9	52.1	0	0	0	0	114	D202 N206 D208	D202-T204 HydrophobicContact CB-CG2 4.39Å; D202-T204 PolarHBondContact O-N 2.72Å; T204-N206 PolarHBondContact O-N 3.3Å; T204-D208 PolarHBondContact O-N 2.76Å
205	S	41.4	Very low	45.3	Very low	58 Å²	58	113.8 Å²	113.8	41%	0.406	64%	0.635	S	S	.	*	H	α-helix	trans	-49.5	-51.6	177.2	163.1	0	0	0	0	113.6	I207 D208 D209	S205-I207 PolarHBondContact O-N 2.03Å; S205-D208 PolarHBondContact O-N 3.4Å; S205-D209 WeakPolarHBondContact CA-OD2 3.23Å; S205-D209 VanDerWaalsContact CB-OD2 3.25Å; S205-D209 WeakPolarHBondContact CB-OD2 3.21Å; S205-D209 WeakPolarHBondContact O-CA 2.98Å; S205-D209 WeakPolarHBondContact O-CB 3.35Å; S205-D209 PolarHBondContact O-N 2.71Å; S205-D209 PolarHBondContact OG-OD2 2.87Å
206	N	49.8	Very low	46.6	Very low	146 Å²	146	113.5 Å²	113.5	78%	0.781	62%	0.622	S	S	*	*	H	α-helix	trans	-70.6	-9.1	-163.1	-130.8	-9.3	0	0	0	116	T204	T204-N206 PolarHBondContact O-N 3.3Å
207	I	54.7	Low	47.7	Very low	114 Å²	114	109.6 Å²	109.6	59%	0.585	60%	0.601	S	S	*	*	H	α-helix	trans	-108.7	-39.2	172	-76.9	175.8	0	0	0	111.6	S205 L210 K211	S205-I207 PolarHBondContact O-N 2.03Å; I207-L210 WeakPolarHBondContact O-CB 3.28Å; I207-L210 PolarHBondContact O-N 3.17Å; I207-K211 WeakPolarHBondContact O-CG 2.99Å; I207-K211 PolarHBondContact O-N 2.71Å
208	D	55.1	Low	48.7	Very low	65 Å²	65	107.7 Å²	107.7	35%	0.348	58%	0.575	S	S	.	*	H	α-helix	trans	-82.2	-26	-179.9	-73.3	-54.4	0	0	0	113.1	T204 S205 K211 K212	T204-D208 PolarHBondContact O-N 2.76Å; S205-D208 PolarHBondContact O-N 3.4Å; D208-K211 PolarHBondContact O-N 3.24Å; D208-K211 WeakPolarHBondContact OD1-CD 3.02Å; D208-K211 WeakPolarHBondContact OD1-CE 3.31Å; D208-K211 IonicContact OD1-NZ 3.09Å; D208-K211 PolarHBondContact OD1-NZ 2.95Å; D208-K212 VanDerWaalsContact O-CG 3.27Å; D208-K212 WeakPolarHBondContact O-CG 3.33Å; D208-K212 PolarHBondContact O-N 2.84Å
209	D	50.9	Low	50	Low	51 Å²	51	104 Å²	104	27%	0.273	56%	0.561	S	S	.	*	H	α-helix	trans	-74.3	-30.3	165.6	-62.7	-32.4	0	0	0	111.5	S205 K212 H213	S205-D209 WeakPolarHBondContact CA-OD2 3.23Å; S205-D209 VanDerWaalsContact CB-OD2 3.25Å; S205-D209 WeakPolarHBondContact CB-OD2 3.21Å; S205-D209 WeakPolarHBondContact O-CA 2.98Å; S205-D209 WeakPolarHBondContact O-CB 3.35Å; S205-D209 PolarHBondContact O-N 2.71Å; S205-D209 PolarHBondContact OG-OD2 2.87Å; D209-K212 PolarHBondContact O-N 3.03Å; D209-K212 WeakPolarHBondContact OD1-CD 3.3Å; D209-K212 WeakPolarHBondContact OD1-CE 3.43Å; D209-K212 IonicContact OD1-NZ 3.81Å; D209-K212 PolarHBondContact OD1-NZ 3.42Å; D209-H213 VanDerWaalsContact O-CB 3.31Å; D209-H213 WeakPolarHBondContact O-CB 3.41Å; D209-H213 PolarHBondContact O-N 3.26Å
210	L	54.8	Low	50.6	Low	104 Å²	104	101.5 Å²	101.5	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-44.3	167.8	-173.5	71	0	0	0	110.7	I207 H213 I214	I207-L210 WeakPolarHBondContact O-CB 3.28Å; I207-L210 PolarHBondContact O-N 3.17Å; L210-H213 PolarHBondContact O-N 2.99Å; L210-I214 HydrophobicContact CG-CD1 4.15Å; L210-I214 WeakPolarHBondContact O-CB 3.05Å; L210-I214 VanDerWaalsContact O-CG1 3.28Å; L210-I214 WeakPolarHBondContact O-CG1 3.32Å; L210-I214 PolarHBondContact O-N 3.32Å
211	K	60.8	Low	51.6	Low	107 Å²	107	96.6 Å²	96.6	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-42.2	171.7	-69	174	-151.8	156.7	0	112.3	I207 D208 H213 I214 L215	I207-K211 WeakPolarHBondContact O-CG 2.99Å; I207-K211 PolarHBondContact O-N 2.71Å; D208-K211 PolarHBondContact O-N 3.24Å; D208-K211 WeakPolarHBondContact OD1-CD 3.02Å; D208-K211 WeakPolarHBondContact OD1-CE 3.31Å; D208-K211 IonicContact OD1-NZ 3.09Å; D208-K211 PolarHBondContact OD1-NZ 2.95Å; K211-H213 VanDerWaalsContact C-N 3.35Å; K211-I214 PolarHBondContact O-N 2.04Å; K211-L215 WeakPolarHBondContact O-CB 3.35Å; K211-L215 VanDerWaalsContact O-CG 3.27Å; K211-L215 WeakPolarHBondContact O-CG 3.46Å; K211-L215 PolarHBondContact O-N 3.39Å
212	K	67	Low	52.4	Low	124 Å²	124	99.7 Å²	99.7	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-38.2	174.9	-71.6	169	-151.3	159.5	0	111.9	D208 D209 L215 F216	D208-K212 VanDerWaalsContact O-CG 3.27Å; D208-K212 WeakPolarHBondContact O-CG 3.33Å; D208-K212 PolarHBondContact O-N 2.84Å; D209-K212 PolarHBondContact O-N 3.03Å; D209-K212 WeakPolarHBondContact OD1-CD 3.3Å; D209-K212 WeakPolarHBondContact OD1-CE 3.43Å; D209-K212 IonicContact OD1-NZ 3.81Å; D209-K212 PolarHBondContact OD1-NZ 3.42Å; K212-L215 PolarHBondContact O-N 3.16Å; K212-F216 WeakPolarHBondContact O-CB 3.12Å; K212-F216 PolarHBondContact O-N 3.43Å
213	H	55.6	Low	53.1	Low	116 Å²	116	98.3 Å²	98.3	54%	0.537	51%	0.513	S	S	.	.	H	α-helix	trans	-67.6	-42.7	177.8	-156.7	99.3	0	0	0	110.9	D209 L210 K211 F216 L217	D209-H213 VanDerWaalsContact O-CB 3.31Å; D209-H213 WeakPolarHBondContact O-CB 3.41Å; D209-H213 PolarHBondContact O-N 3.26Å; L210-H213 PolarHBondContact O-N 2.99Å; K211-H213 VanDerWaalsContact C-N 3.35Å; H213-F216 PolarHBondContact O-N 3.45Å; H213-L217 VanDerWaalsContact O-CG 3.31Å; H213-L217 WeakPolarHBondContact O-CG 3.18Å; H213-L217 PolarHBondContact O-N 3.42Å
214	I	67.8	Low	53.4	Low	91 Å²	91	97.3 Å²	97.3	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-44.8	171.5	-68.5	164.7	0	0	0	111.1	L210 K211 L217 H218	L210-I214 HydrophobicContact CG-CD1 4.15Å; L210-I214 WeakPolarHBondContact O-CB 3.05Å; L210-I214 VanDerWaalsContact O-CG1 3.28Å; L210-I214 WeakPolarHBondContact O-CG1 3.32Å; L210-I214 PolarHBondContact O-N 3.32Å; K211-I214 PolarHBondContact O-N 2.04Å; I214-L217 PolarHBondContact O-N 3.28Å; I214-H218 VanDerWaalsContact O-CB 3.31Å; I214-H218 WeakPolarHBondContact O-CB 3.29Å; I214-H218 PolarHBondContact O-N 3.41Å
215	L	66.8	Low	53.8	Low	112 Å²	112	98.6 Å²	98.6	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-65.8	-36	176.2	-76.6	166	0	0	0	112.6	K211 K212 H218 N219	K211-L215 WeakPolarHBondContact O-CB 3.35Å; K211-L215 VanDerWaalsContact O-CG 3.27Å; K211-L215 WeakPolarHBondContact O-CG 3.46Å; K211-L215 PolarHBondContact O-N 3.39Å; K212-L215 PolarHBondContact O-N 3.16Å; L215-H218 CarbonylContact O-C 3.57Å; L215-H218 PolarHBondContact O-N 3.41Å; L215-N219 WeakPolarHBondContact O-CB 3.47Å; L215-N219 PolarHBondContact O-N 3.04Å
216	F	63.8	Low	53.7	Low	114 Å²	114	102.6 Å²	102.6	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-66.9	-46	176.4	176.6	-105.1	0	0	0	111.3	K212 H213 H218 N219 M220	K212-F216 WeakPolarHBondContact O-CB 3.12Å; K212-F216 PolarHBondContact O-N 3.43Å; H213-F216 PolarHBondContact O-N 3.45Å; F216-H218 VanDerWaalsContact C-N 3.32Å; F216-H218 PolarHBondContact O-N 3.23Å; F216-N219 PolarHBondContact O-N 2.94Å; F216-N219 VanDerWaalsContact O-N 3.08Å; F216-M220 HydrophobicContact CD1-CE 4.01Å; F216-M220 HydrophobicContact CD1-CG 4.49Å; F216-M220 HydrophobicContact CD1-SD 4.4Å; F216-M220 HydrophobicContact CE1-CE 3.52Å; F216-M220 HydrophobicContact CE1-CG 4.11Å; F216-M220 HydrophobicContact CE1-SD 3.57Å; F216-M220 VanDerWaalsContact CE1-SD 3.57Å; F216-M220 HydrophobicContact CE2-CG 4.17Å; F216-M220 HydrophobicContact CE2-SD 4.36Å; F216-M220 HydrophobicContact CZ-CE 4.15Å; F216-M220 HydrophobicContact CZ-CG 3.93Å; F216-M220 HydrophobicContact CZ-SD 3.54Å; F216-M220 VanDerWaalsContact CZ-SD 3.54Å; F216-M220 PolarHBondContact O-N 3.07Å
217	L	52.7	Low	53.1	Low	86 Å²	86	104 Å²	104	45%	0.45	53%	0.53	S	S	.	.	H	α-helix	trans	-60.6	-41	172.2	-69.5	167.6	0	0	0	111.7	H213 I214 N219 M220 T221	H213-L217 VanDerWaalsContact O-CG 3.31Å; H213-L217 WeakPolarHBondContact O-CG 3.18Å; H213-L217 PolarHBondContact O-N 3.42Å; I214-L217 PolarHBondContact O-N 3.28Å; L217-N219 VanDerWaalsContact C-N 3.25Å; L217-N219 PolarHBondContact O-N 3.47Å; L217-M220 HydrophobicContact CD2-CE 3.97Å; L217-T221 WeakPolarHBondContact O-CG2 3.12Å; L217-T221 PolarHBondContact O-N 2.04Å; L217-T221 PolarHBondContact O-OG1 3.21Å
218	H	54.4	Low	51.9	Low	58 Å²	58	107.7 Å²	107.7	27%	0.269	54%	0.544	S	S	.	.	H	α-helix	trans	-71.1	-16.9	175.3	-170.4	-118.5	0	0	0	113.6	I214 L215 F216 T221	I214-H218 VanDerWaalsContact O-CB 3.31Å; I214-H218 WeakPolarHBondContact O-CB 3.29Å; I214-H218 PolarHBondContact O-N 3.41Å; L215-H218 CarbonylContact O-C 3.57Å; L215-H218 PolarHBondContact O-N 3.41Å; F216-H218 VanDerWaalsContact C-N 3.32Å; F216-H218 PolarHBondContact O-N 3.23Å; H218-T221 PolarHBondContact O-OG1 2.76Å
219	N	55.3	Low	50.9	Low	94 Å²	94	109.2 Å²	109.2	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-92.1	-43.6	174.7	-162	42.9	0	0	0	112.4	L215 F216 L217 T221 K222 T223	L215-N219 WeakPolarHBondContact O-CB 3.47Å; L215-N219 PolarHBondContact O-N 3.04Å; F216-N219 PolarHBondContact O-N 2.94Å; F216-N219 VanDerWaalsContact O-N 3.08Å; L217-N219 VanDerWaalsContact C-N 3.25Å; L217-N219 PolarHBondContact O-N 3.47Å; N219-T221 PolarHBondContact O-N 2.94Å; N219-K222 WeakPolarHBondContact O-CA 3.29Å; N219-K222 WeakPolarHBondContact O-CB 3.11Å; N219-K222 PolarHBondContact O-N 3.44Å; N219-T223 PolarHBondContact O-N 2.95Å; N219-T223 PolarHBondContact O-OG1 3.32Å
220	M	45.5	Very low	50.1	Low	93 Å²	93	115.7 Å²	115.7	46%	0.458	59%	0.586	S	S	.	*	H	α-helix	trans	-56.9	-38.3	173.9	-73	-158.4	-61.4	0	0	111.9	F216 L217 K222 T223	F216-M220 HydrophobicContact CD1-CE 4.01Å; F216-M220 HydrophobicContact CD1-CG 4.49Å; F216-M220 HydrophobicContact CD1-SD 4.4Å; F216-M220 HydrophobicContact CE1-CE 3.52Å; F216-M220 HydrophobicContact CE1-CG 4.11Å; F216-M220 HydrophobicContact CE1-SD 3.57Å; F216-M220 VanDerWaalsContact CE1-SD 3.57Å; F216-M220 HydrophobicContact CE2-CG 4.17Å; F216-M220 HydrophobicContact CE2-SD 4.36Å; F216-M220 HydrophobicContact CZ-CE 4.15Å; F216-M220 HydrophobicContact CZ-CG 3.93Å; F216-M220 HydrophobicContact CZ-SD 3.54Å; F216-M220 VanDerWaalsContact CZ-SD 3.54Å; F216-M220 PolarHBondContact O-N 3.07Å; L217-M220 HydrophobicContact CD2-CE 3.97Å; M220-K222 PolarHBondContact O-N 3.4Å; M220-T223 PolarHBondContact O-N 3.29Å
221	T	51.5	Low	49.1	Very low	76 Å²	76	120.8 Å²	120.8	47%	0.466	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	-4.4	174.9	52.2	0	0	0	0	114	L217 H218 N219 K233	L217-T221 WeakPolarHBondContact O-CG2 3.12Å; L217-T221 PolarHBondContact O-N 2.04Å; L217-T221 PolarHBondContact O-OG1 3.21Å; H218-T221 PolarHBondContact O-OG1 2.76Å; N219-T221 PolarHBondContact O-N 2.94Å; T221-K233 VanDerWaalsContact O-CE 3.3Å; T221-K233 WeakPolarHBondContact O-CE 3.07Å; T221-K233 PolarHBondContact O-NZ 3.49Å
222	K	49.1	Very low	47.9	Very low	138 Å²	138	120.9 Å²	120.9	60%	0.6	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-14.5	175.8	-80.3	-172.3	173.6	-169.5	0	114.8	N219 M220	N219-K222 WeakPolarHBondContact O-CA 3.29Å; N219-K222 WeakPolarHBondContact O-CB 3.11Å; N219-K222 PolarHBondContact O-N 3.44Å; M220-K222 PolarHBondContact O-N 3.4Å
223	T	48.4	Very low	46.2	Very low	106 Å²	106	120 Å²	120	65%	0.65	61%	0.609	S	S	*	*	S	Bend	trans	-112	9.2	-167.9	56	0	0	0	0	115.4	N219 M220	N219-T223 PolarHBondContact O-N 2.95Å; N219-T223 PolarHBondContact O-OG1 3.32Å; M220-T223 PolarHBondContact O-N 3.29Å
224	N	41.4	Very low	44.8	Very low	105 Å²	105	121.5 Å²	121.5	56%	0.561	61%	0.614	S	S	*	*			trans	-136.4	107.1	176.4	-168.7	-15.9	0	0	0	111.2	N226	N224-N226 VanDerWaalsContact C-N 3.31Å; N224-N226 PolarHBondContact O-N 2.9Å; N224-N226 PolarHBondContact OD1-N 3.36Å
225	S	42	Very low	43.4	Very low	112 Å²	112	121.7 Å²	121.7	78%	0.783	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	19.9	-173.4	59.2	0	0	0	0	114.4
226	N	40.6	Very low	41.8	Very low	143 Å²	143	120.4 Å²	120.4	77%	0.765	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	23.3	-175.6	-96.9	-21	0	0	0	113.8	N224	N224-N226 VanDerWaalsContact C-N 3.31Å; N224-N226 PolarHBondContact O-N 2.9Å; N224-N226 PolarHBondContact OD1-N 3.36Å
227	F	36.1	Very low	40.1	Very low	176 Å²	176	122 Å²	122	77%	0.772	64%	0.635	S	S	*	*			trans	-131.6	21.8	-179.3	-110.5	-93.1	0	0	0	114.3	S229	F227-S229 VanDerWaalsContact C-N 3.28Å; F227-S229 PolarHBondContact O-N 2.95Å
228	E	31.3	Very low	39.2	Very low	191 Å²	191	125.3 Å²	125.3	89%	0.893	65%	0.648	S	S	*	*			trans	-80.2	65.4	179.2	-64.8	-161	135.6	0	0	113.3
229	S	33.3	Very low	38.1	Very low	97 Å²	97	130 Å²	130	68%	0.678	67%	0.667	S	S	*	*	S	Bend	trans	-148.9	129.5	152.9	81.1	0	0	0	0	111.4	F227	F227-S229 VanDerWaalsContact C-N 3.28Å; F227-S229 PolarHBondContact O-N 2.95Å
230	K	34.7	Very low	37.1	Very low	186 Å²	186	130.8 Å²	130.8	81%	0.809	67%	0.672	S	S	*	*	S	Bend	trans	68.4	143.9	-172.5	-50.7	178.2	-176.8	179.8	0	113.8
231	F	32.8	Very low	36.5	Very low	212 Å²	212	135.9 Å²	135.9	93%	0.93	69%	0.691	S	S	*	*			trans	73.4	122.2	-171.9	-55.4	-72.1	0	0	0	116.8
232	V	35.2	Very low	35.7	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.655	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-98.1	132.8	-176.4	176.4	0	0	0	0	110.3
233	K	31	Very low	35	Very low	106 Å²	106	139 Å²	139	46%	0.461	72%	0.717	S	S	.	*	P	Polyproline II helix	trans	-88.3	129.1	-173.3	-179.2	175.5	170.5	-175.9	0	111.4	T221 P235	T221-K233 VanDerWaalsContact O-CE 3.3Å; T221-K233 WeakPolarHBondContact O-CE 3.07Å; T221-K233 PolarHBondContact O-NZ 3.49Å; K233-P235 WeakPolarHBondContact O-CD 3.04Å
234	F	27.5	Very low	34.3	Very low	148 Å²	148	139.5 Å²	139.5	65%	0.649	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-94.1	120.9	177.2	-76.8	-91.3	0	0	0	111.9
235	P	38.9	Very low	34	Very low	95 Å²	95	140 Å²	140	62%	0.617	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-83.5	128.7	164.7	-7.7	26.6	0	0	0	110.5	K233	K233-P235 WeakPolarHBondContact O-CD 3.04Å
236	S	32.2	Very low	33.6	Very low	84 Å²	84	138.4 Å²	138.4	59%	0.587	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-79.9	159.3	163.4	-46.5	0	0	0	0	110.5
237	L	28.8	Very low	33.3	Very low	148 Å²	148	136.6 Å²	136.6	78%	0.775	74%	0.738	S	S	*	*			trans	-175.8	115.9	134.5	-99.7	165.6	0	0	0	112.8
238	Q	32.3	Very low	33.2	Very low	156 Å²	156	132.4 Å²	132.4	73%	0.729	74%	0.744	S	S	*	*				23	143.3	129.6	-55.7	175.8	2.5	0	0	122.1
239	K	32	Very low	33.3	Very low	155 Å²	155	126.8 Å²	126.8	67%	0.674	74%	0.737	S	S	*	*				109.3	147.5	120.1	-112.4	170.9	149.7	-89.3	0	120.5
240	D	34.6	Very low	33.4	Very low	112 Å²	112	127.8 Å²	127.8	60%	0.599	74%	0.744	S	S	*	*			trans	58.7	121.6	159.4	-54.6	-38.7	0	0	0	119.4
241	K	32.1	Very low	33.6	Very low	199 Å²	199	124.6 Å²	124.6	87%	0.865	74%	0.743	S	S	*	*			cis	103.3	85	17.7	-169.9	-167.9	177	-175.6	0	114.9
242	A	35.1	Very low	34	Very low	97 Å²	97	119.5 Å²	119.5	80%	0.802	73%	0.731	S	S	*	*			trans	-161.8	154.4	161.1	0	0	0	0	0	108.6
243	K	33.9	Very low	34.2	Very low	183 Å²	183	121.5 Å²	121.5	80%	0.796	74%	0.738	S	S	*	*			cis	-160.3	149.2	-1.8	-138.1	-174.8	178.7	-179.9	0	109.9
244	T	34.6	Very low	34.6	Very low	117 Å²	117	121 Å²	121	72%	0.718	75%	0.745	S	S	*	*			trans	38.4	144.8	144.1	46.4	0	0	0	0	122.7
245	S	35.2	Very low	34.9	Very low	114 Å²	114	123.5 Å²	123.5	80%	0.797	76%	0.756	S	S	*	*			cis	-175.7	148.7	3.6	40.4	0	0	0	0	114.9
246	G	32.8	Very low	34.7	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	77%	0.771	S	S	*	*			trans	102.7	149.3	139.7	0	0	0	0	0	118.5
247	A	34.9	Very low	34.8	Very low	105 Å²	105	132.8 Å²	132.8	87%	0.868	78%	0.782	S	S	*	*			cis	-164.1	146.1	-14.9	0	0	0	0	0	112.1
248	G	33.4	Very low	34.8	Very low	88 Å²	88	134.3 Å²	134.3	91%	0.907	79%	0.786	S	S	*	*			trans	73.6	154.9	178.3	0	0	0	0	0	114.9
249	G	33.3	Very low	34.9	Very low	72 Å²	72	137.6 Å²	137.6	74%	0.742	79%	0.791	S	S	*	*			cis	152	145.3	-2.6	0	0	0	0	0	109.7
250	S	35.3	Very low	35	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	80%	0.796	S	S	*	*			cis	-157.3	165.6	-3.3	-72.9	0	0	0	0	110.8
251	P	40	Very low	34.6	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	80%	0.797	S	S	*	*			trans	-106.8	-167.6	-171.3	45.4	-38.4	0	0	0	112.6
252	P	41.9	Very low	34.6	Very low	105 Å²	105	135.1 Å²	135.1	68%	0.682	79%	0.794	S	S	*	*			cis	-143.6	175.6	4.4	43.4	-24.5	0	0	0	119.3
253	N	38.5	Very low	34.3	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	79%	0.792	S	S	*	*			trans	70.5	162.5	143	-85.9	-14.6	0	0	0	122
254	P	39.8	Very low	34.1	Very low	96 Å²	96	139.1 Å²	139.1	62%	0.623	79%	0.792	S	S	*	*			cis	-143.8	-178.5	-36.8	40.9	-23.5	0	0	0	116.3
255	K	33.6	Very low	33.9	Very low	201 Å²	201	138.6 Å²	138.6	87%	0.874	79%	0.793	S	S	*	*			trans	78.2	106.3	157.2	-60.2	171.2	-175.1	176.4	0	121.6
256	R	35.2	Very low	33.6	Very low	247 Å²	247	137.7 Å²	137.7	93%	0.932	79%	0.792	S	S	*	*				-157.2	144.2	125.3	-147.1	154.6	-141	-102.7	0.1	110.5
257	P	34.1	Very low	33.4	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	79%	0.791	S	S	*	*			trans	-90.3	168.4	-164.4	34.9	-37.2	0	0	0	115.9
258	Q	29.3	Very low	33.3	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	79%	0.793	S	S	*	*			trans	-72.8	160.9	-176	-64	-179.8	-14.4	0	0	115
259	R	33.2	Very low	33.2	Very low	225 Å²	225	142.8 Å²	142.8	85%	0.849	78%	0.781	S	S	*	*			trans	-112.3	134.6	143.2	-71.6	-175.2	176.3	-165.7	-0.3	108.1	I261	R259-I261 PolarHBondContact O-N 3.21Å
260	P	33.8	Very low	33.3	Very low	118 Å²	118	144.3 Å²	144.3	77%	0.766	78%	0.778	S	S	*	*			trans	-65.8	119.9	171.7	-21	33.6	0	0	0	110.9
261	I	27	Very low	33.9	Very low	121 Å²	121	144.9 Å²	144.9	62%	0.621	78%	0.779	S	S	*	*			trans	-104.1	109.3	170.8	-64.6	174.3	0	0	0	107.1	R259 Q263	R259-I261 PolarHBondContact O-N 3.21Å; I261-Q263 HydrophobicContact CG2-CB 3.85Å; I261-Q263 HydrophobicContact CG2-CG 3.69Å; I261-Q263 PolarHBondContact O-N 3.06Å
262	H	32.3	Very low	33.6	Very low	174 Å²	174	145.2 Å²	145.2	81%	0.806	78%	0.779	S	S	*	*			trans	-96.4	77.4	162.5	-93.8	-74.3	0	0	0	109.7
263	Q	28.6	Very low	33.5	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	78%	0.781	S	S	*	*			trans	-105	112.6	160.6	-74.9	177.7	-55.9	0	0	108.1	I261	I261-Q263 HydrophobicContact CG2-CB 3.85Å; I261-Q263 HydrophobicContact CG2-CG 3.69Å; I261-Q263 PolarHBondContact O-N 3.06Å
264	Y	29.9	Very low	33.3	Very low	203 Å²	203	148.4 Å²	148.4	80%	0.796	79%	0.786	S	S	*	*			trans	-144.3	122	163.3	-77.2	-78.3	0	0	0	106.6
265	S	30.7	Very low	33	Very low	106 Å²	106	150 Å²	150	74%	0.741	79%	0.794	S	S	*	*			cis	-143.2	141.7	-12.2	-62.4	0	0	0	0	109
266	A	27.3	Very low	33.3	Very low	96 Å²	96	146.4 Å²	146.4	79%	0.793	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.7	168.2	173.7	0	0	0	0	0	111
267	P	30.5	Very low	33.5	Very low	121 Å²	121	138.8 Å²	138.8	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-85.7	160.1	-154.7	34.4	-37	0	0	0	114.9	A269	P267-A269 PolarHBondContact O-N 2.8Å
268	I	31.5	Very low	34	Very low	177 Å²	177	138.3 Å²	138.3	91%	0.908	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.5	116.9	165.3	-59.5	174.7	0	0	0	108.5
269	A	31.3	Very low	34.3	Very low	81 Å²	81	138 Å²	138	67%	0.669	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-100.8	149.8	170.8	0	0	0	0	0	110.3	P267	P267-A269 PolarHBondContact O-N 2.8Å
270	P	35.2	Very low	34.5	Very low	105 Å²	105	130.7 Å²	130.7	68%	0.682	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.2	154.2	-173.3	32.7	-36.2	0	0	0	113.5
271	P	47.9	Very low	34.6	Very low	130 Å²	130	129.3 Å²	129.3	84%	0.844	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.1	153.6	166.6	31.5	-34.8	0	0	0	111.6
272	T	34.8	Very low	35	Very low	125 Å²	125	127 Å²	127	77%	0.767	79%	0.79	S	S	*	*			trans	-137.1	-177.5	-176.7	70.8	0	0	0	0	110.3
273	P	39.7	Very low	35.3	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	80%	0.797	S	S	*	*				-128.5	175.9	-110.2	33.3	-11.5	0	0	0	115.2
274	K	34.6	Very low	35.7	Very low	212 Å²	212	122.1 Å²	122.1	92%	0.922	80%	0.798	S	S	*	*			trans	-144	157.2	159.1	-71.4	-162.5	176.7	-179.3	0	111.9
275	V	33.6	Very low	35.9	Very low	129 Å²	129	116 Å²	116	78%	0.782	80%	0.796	S	S	*	*			trans	-135.6	143.6	-171.4	-170.2	0	0	0	0	109.1
276	P	38.7	Very low	36	Very low	125 Å²	125	116 Å²	116	81%	0.812	80%	0.803	S	S	*	*				-138.6	167.8	117.7	36.5	-24.3	0	0	0	110.3
277	A	38.9	Very low	36.3	Very low	88 Å²	88	115.5 Å²	115.5	73%	0.727	80%	0.799	S	S	*	*			cis	178.6	166.6	-14.2	0	0	0	0	0	104.4
278	P	45.6	Very low	36.3	Very low	116 Å²	116	120 Å²	120	75%	0.753	80%	0.802	S	S	*	*			trans	-117.6	166	-155.4	41.6	-33.1	0	0	0	116.8
279	D	36.3	Very low	36.4	Very low	175 Å²	175	118.3 Å²	118.3	94%	0.936	80%	0.795	S	S	*	*			trans	-172.7	150.9	144.4	-94.4	-31.6	0	0	0	109
280	G	36.4	Very low	36.6	Very low	71 Å²	71	120.3 Å²	120.3	73%	0.732	80%	0.801	S	S	*	*			cis	-179.7	144.7	-9.9	0	0	0	0	0	112.8
281	G	35	Very low	36.4	Very low	88 Å²	88	119 Å²	119	91%	0.907	81%	0.806	S	S	*	*			trans	83	141.9	167.4	0	0	0	0	0	118.6
282	G	36.3	Very low	35.6	Very low	73 Å²	73	121.7 Å²	121.7	75%	0.753	81%	0.808	S	S	*	*			cis	168.9	147.6	-13.1	0	0	0	0	0	115.5
283	V	39.8	Very low	35.4	Very low	157 Å²	157	124.1 Å²	124.1	95%	0.952	81%	0.81	S	S	*	*			trans	64.4	140.6	161.3	-164.7	0	0	0	0	116.9
284	G	35.3	Very low	34.9	Very low	76 Å²	76	125 Å²	125	78%	0.784	82%	0.816	S	S	*	*			cis	150.7	153.9	-0.9	0	0	0	0	0	109.2
285	G	35.2	Very low	34.5	Very low	73 Å²	73	122.9 Å²	122.9	75%	0.753	81%	0.813	S	S	*	*			cis	177.6	-179.9	-4.5	0	0	0	0	0	110.9
286	A	32.7	Very low	34.2	Very low	108 Å²	108	119.7 Å²	119.7	89%	0.893	81%	0.806	S	S	*	*			trans	65.6	151.8	171.5	0	0	0	0	0	118.5
287	A	32.3	Very low	33.7	Very low	85 Å²	85	117.2 Å²	117.2	70%	0.702	80%	0.804	S	S	*	*			cis	-165	157.8	-16.5	0	0	0	0	0	111.4
288	Y	31.5	Very low	33.1	Very low	214 Å²	214	122.8 Å²	122.8	84%	0.839	81%	0.807	S	S	*	*			trans	25.3	138.2	151.6	-70.1	-107.9	0	0	0	120.3
289	N	34.4	Very low	32.5	Very low	143 Å²	143	123.5 Å²	123.5	77%	0.765	80%	0.796	S	S	*	*			cis	-162.5	175.4	37.8	-118.6	-31.8	0	0	0	111.7
290	P	35.1	Very low	32.2	Very low	123 Å²	123	121.7 Å²	121.7	80%	0.799	78%	0.782	S	S	*	*			trans	-98.1	164.5	-163.9	38.5	-38.5	0	0	0	117.5
291	G	30.4	Very low	31.9	Very low	77 Å²	77	125.9 Å²	125.9	79%	0.794	79%	0.787	S	S	*	*			trans	-163.5	151.5	170.5	0	0	0	0	0	113
292	E	30.5	Very low	31.7	Very low	186 Å²	186	126.9 Å²	126.9	87%	0.869	77%	0.769	S	S	*	*			trans	-74	140.5	-165.7	-56.6	169.2	103.1	0	0	116.1
293	Q	30.5	Very low	31.3	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.822	78%	0.779	S	S	*	*				173.2	151.9	115.3	-92.3	175.6	35.1	0	0	112.1
294	P	29	Very low	31.1	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	77%	0.773	S	S	*	*			trans	-83.3	123.1	-168.9	31.5	-34.4	0	0	0	114.1
295	I	27.6	Very low	30.9	Very low	167 Å²	167	134.3 Å²	134.3	86%	0.856	77%	0.774	S	S	*	*			trans	-125.5	139.5	175.7	-63.3	177	0	0	0	110.4
296	G	26.8	Very low	30.7	Very low	62 Å²	62	137.8 Å²	137.8	64%	0.639	78%	0.775	S	S	*	*			trans	49.7	98.9	149.2	0	0	0	0	0	119.6	Y298	G296-Y298 PolarHBondContact O-N 3.42Å
297	G	27.4	Very low	30.7	Very low	74 Å²	74	140.1 Å²	140.1	76%	0.763	77%	0.773	S	S	*	*			trans	-84.5	87.6	159.9	0	0	0	0	0	111.6	Y299	G297-Y299 PolarHBondContact O-N 3.39Å
298	Y	28.1	Very low	30.5	Very low	204 Å²	204	145.5 Å²	145.5	80%	0.8	78%	0.783	S	S	*	*			trans	-66.7	119.2	166.8	-97.4	-96.7	0	0	0	109.5	G296 Q300	G296-Y298 PolarHBondContact O-N 3.42Å; Y298-Q300 PolarHBondContact O-N 3.01Å
299	Y	32	Very low	30.6	Very low	132 Å²	132	140.1 Å²	140.1	52%	0.518	78%	0.777	S	S	.	*			trans	-81.8	95.3	170.5	-83.3	-80.2	0	0	0	110.2	G297 R852	G297-Y299 PolarHBondContact O-N 3.39Å; Y299-R852 PolarHBondContact OH-NH2 3.48Å
300	Q	30.9	Very low	30.3	Very low	136 Å²	136	141.2 Å²	141.2	64%	0.636	78%	0.782	S	S	*	*			trans	-95.3	133.5	156.8	-73.4	-177.1	-20.3	0	0	108.9	Y298 E302	Y298-Q300 PolarHBondContact O-N 3.01Å; Q300-E302 VanDerWaalsContact C-N 3.28Å; Q300-E302 PolarHBondContact O-N 3.47Å
301	N	28.8	Very low	30.2	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	79%	0.788	S	S	*	*			trans	-81.6	72.7	179.3	-69.7	-23.8	0	0	0	110.5
302	E	31.2	Very low	30.1	Very low	110 Å²	110	147.3 Å²	147.3	51%	0.514	78%	0.781	S	S	.	*			trans	-124.2	78.9	176.8	-65.2	-172.8	-173.3	0	0	109.9	Q300 L304 K650	Q300-E302 VanDerWaalsContact C-N 3.28Å; Q300-E302 PolarHBondContact O-N 3.47Å; E302-L304 PolarHBondContact O-N 2.92Å; E302-K650 IonicContact OE1-NZ 3.87Å; E302-K650 PolarHBondContact OE1-NZ 2.95Å
303	E	28.6	Very low	30.3	Very low	208 Å²	208	143.4 Å²	143.4	97%	0.972	77%	0.772	S	S	*	*			trans	-76.6	71.2	173.9	-170.4	169.6	-160.3	0	0	110.1
304	L	34.7	Very low	30.4	Very low	158 Å²	158	140.8 Å²	140.8	83%	0.827	77%	0.768	S	S	*	*			trans	-106.3	133.4	175.7	-98.2	164.7	0	0	0	111.6	E302	E302-L304 PolarHBondContact O-N 2.92Å
305	A	30.7	Very low	30.6	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	75%	0.754	S	S	*	*			trans	-67.2	134.7	-161.7	0	0	0	0	0	114.1
306	N	32	Very low	31	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	75%	0.751	S	S	*	*			trans	-155.2	122	147.9	-130.3	-28.5	0	0	0	113.2
307	N	32.2	Very low	31.5	Very low	158 Å²	158	141.4 Å²	141.4	85%	0.845	76%	0.757	S	S	*	*			trans	177.4	72.2	150	-97.4	-46.8	0	0	0	109.8	S309	N307-S309 PolarHBondContact O-N 3.15Å
308	Q	29.3	Very low	31.9	Very low	197 Å²	197	143 Å²	143	92%	0.921	76%	0.756	S	S	*	*			trans	-75.2	109.3	165	-70.3	-173.2	4.4	0	0	109.7
309	S	32.9	Very low	32.5	Very low	102 Å²	102	142 Å²	142	71%	0.713	76%	0.758	S	S	*	*			trans	-150.1	88.6	157.1	44.9	0	0	0	0	107.6	N307	N307-S309 PolarHBondContact O-N 3.15Å
310	L	26.8	Very low	33.1	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	77%	0.766	S	S	*	*				73.8	89.2	85.6	-174	74.5	0	0	0	111.6
311	L	34.6	Very low	33.4	Very low	176 Å²	176	138.9 Å²	138.9	92%	0.921	77%	0.774	S	S	*	*			trans	-171.3	103.5	146.6	-101.9	163.7	0	0	0	109.5
312	K	27.2	Very low	33.7	Very low	151 Å²	151	136.3 Å²	136.3	66%	0.657	78%	0.775	S	S	*	*			trans	-113.8	-176.9	163.4	-119.4	-156.2	172.6	-149.7	0	106.5	D315	K312-D315 IonicContact NZ-OD1 3.29Å; K312-D315 PolarHBondContact NZ-OD1 3.02Å; K312-D315 IonicContact NZ-OD2 3.5Å; K312-D315 PolarHBondContact NZ-OD2 3.39Å; K312-D315 VanDerWaalsContact NZ-OD2 3.09Å
313	P	34.5	Very low	33.8	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	79%	0.788	S	S	*	*			cis	-116	-166.5	3.7	28.1	-3.1	0	0	0	110.8
314	T	32.5	Very low	33.9	Very low	122 Å²	122	128.6 Å²	128.6	75%	0.748	78%	0.781	S	S	*	*			cis	-132.7	-148.2	23.9	58.5	0	0	0	0	116
315	D	34.8	Very low	33.7	Very low	102 Å²	102	127.2 Å²	127.2	55%	0.545	78%	0.784	S	S	.	*			trans	-170.2	-150.4	-135.2	-65	-77.9	0	0	0	108.2	K312	K312-D315 IonicContact NZ-OD1 3.29Å; K312-D315 PolarHBondContact NZ-OD1 3.02Å; K312-D315 IonicContact NZ-OD2 3.5Å; K312-D315 PolarHBondContact NZ-OD2 3.39Å; K312-D315 VanDerWaalsContact NZ-OD2 3.09Å
316	T	35.5	Very low	33.7	Very low	128 Å²	128	128.3 Å²	128.3	79%	0.785	79%	0.786	S	S	*	*			trans	70.5	141.9	-170.1	63.5	0	0	0	0	116.9
317	D	36	Very low	33.8	Very low	142 Å²	142	130 Å²	130	76%	0.759	79%	0.789	S	S	*	*			cis	-160.5	160.6	-7.2	-111.9	-23	0	0	0	114.4
318	S	37.2	Very low	33.7	Very low	107 Å²	107	126.2 Å²	126.2	75%	0.748	79%	0.787	S	S	*	*			trans	63.6	138.5	163.8	65.4	0	0	0	0	120.4
319	H	41.2	Very low	33.8	Very low	182 Å²	182	125.1 Å²	125.1	84%	0.843	78%	0.782	S	S	*	*			cis	98.6	154.1	26.6	-85.6	-49.8	0	0	0	115.5
320	P	43.5	Very low	33.8	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	79%	0.792	S	S	*	*			cis	-139.2	-176.7	-12.8	38	-18.8	0	0	0	116.6
321	A	37.1	Very low	34.2	Very low	98 Å²	98	129.9 Å²	129.9	81%	0.81	79%	0.79	S	S	*	*			trans	66.6	152.9	151.1	0	0	0	0	0	120
322	A	35.7	Very low	34.4	Very low	104 Å²	104	127.5 Å²	127.5	86%	0.86	79%	0.785	S	S	*	*			cis	-170.4	171.4	-18.5	0	0	0	0	0	107.7
323	G	32.4	Very low	34.7	Very low	77 Å²	77	126 Å²	126	79%	0.794	79%	0.794	S	S	*	*			cis	165.5	148.1	-6.4	0	0	0	0	0	111.6
324	G	31.9	Very low	34.7	Very low	80 Å²	80	127.8 Å²	127.8	83%	0.825	79%	0.793	S	S	*	*			trans	91.1	125.4	-177.2	0	0	0	0	0	113.5
325	S	29.5	Very low	34.8	Very low	128 Å²	128	128 Å²	128	90%	0.895	80%	0.797	S	S	*	*			cis	89.2	102.9	17.2	-160.3	0	0	0	0	117.1
326	S	31.9	Very low	34.5	Very low	119 Å²	119	129.2 Å²	129.2	83%	0.832	80%	0.799	S	S	*	*			trans	-164.5	156.5	143.6	-166.5	0	0	0	0	111.4
327	H	32.6	Very low	34.3	Very low	181 Å²	181	129.8 Å²	129.8	84%	0.838	80%	0.802	S	S	*	*			trans	-87.8	158.9	177.6	-85.6	-104.1	0	0	0	113
328	G	31.4	Very low	34.2	Very low	78 Å²	78	129.3 Å²	129.3	80%	0.804	80%	0.798	S	S	*	*			trans	-165.3	94.3	165.9	0	0	0	0	0	112.6
329	Q	30.4	Very low	33.7	Very low	175 Å²	175	131.3 Å²	131.3	82%	0.818	80%	0.8	S	S	*	*			trans	-80.9	146	173	-65.6	170.2	-72.8	0	0	111.3
330	K	34.1	Very low	33.4	Very low	213 Å²	213	130 Å²	130	93%	0.926	80%	0.798	S	S	*	*			trans	-159.5	155.3	139.6	-111.3	160	-173.6	178.3	0	112.1
331	N	34.5	Very low	32.8	Very low	154 Å²	154	131.9 Å²	131.9	82%	0.824	80%	0.803	S	S	*	*			trans	-92.3	171.2	-159	-91.4	2.4	0	0	0	114.3
332	P	38.5	Very low	32.8	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	81%	0.807	S	S	*	*			trans	-99.4	-176.1	-159.2	40.4	-37.9	0	0	0	114.8
333	S	34.1	Very low	32.7	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	80%	0.804	S	S	*	*			trans	-133.2	140.6	168.5	56.6	0	0	0	0	111.2
334	E	34.3	Very low	32.8	Very low	143 Å²	143	142.5 Å²	142.5	67%	0.668	81%	0.81	S	S	*	*			trans	-93.2	179	-171.8	-145	176.1	-152.4	0	0	112.4	Q336	E334-Q336 VanDerWaalsContact CD-CG 3.48Å; E334-Q336 HydrophobicContact CG-CG 4.15Å; E334-Q336 WeakPolarHBondContact OE1-CG 3.26Å; E334-Q336 PolarHBondContact OE1-NE2 2.87Å
335	P	33.3	Very low	32.7	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	80%	0.804	S	S	*	*				-146.7	165.3	85.7	38.2	-20.7	0	0	0	116.6
336	Q	29.3	Very low	32.8	Very low	127 Å²	127	143 Å²	143	59%	0.593	80%	0.797	S	S	*	*			trans	-111.8	157.3	176.6	-49.3	177.9	8.7	0	0	113	E334	E334-Q336 VanDerWaalsContact CD-CG 3.48Å; E334-Q336 HydrophobicContact CG-CG 4.15Å; E334-Q336 WeakPolarHBondContact OE1-CG 3.26Å; E334-Q336 PolarHBondContact OE1-NE2 2.87Å
337	V	31.9	Very low	33	Very low	140 Å²	140	145.5 Å²	145.5	85%	0.848	80%	0.795	S	S	*	*			trans	-146.3	102.9	149.2	-173.6	0	0	0	0	105.5
338	I	33.4	Very low	33.1	Very low	131 Å²	131	142.5 Å²	142.5	67%	0.672	79%	0.79	S	S	*	*				75.4	130.5	68.8	-61.7	172.1	0	0	0	113
339	L	26.2	Very low	33.2	Very low	149 Å²	149	143.3 Å²	143.3	78%	0.78	78%	0.783	S	S	*	*			trans	-136.3	143.3	-176	-173.7	143.6	0	0	0	108.3
340	L	35.9	Very low	33.6	Very low	155 Å²	155	142.2 Å²	142.2	81%	0.812	78%	0.781	S	S	*	*			trans	-134.5	135	-177.8	-71.6	174.6	0	0	0	112.1
341	N	30.8	Very low	33.7	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	78%	0.775	S	S	*	*			trans	-115.2	141.7	163.1	-78.2	-17.7	0	0	0	107.6
342	E	37.3	Very low	33.8	Very low	195 Å²	195	136.7 Å²	136.7	91%	0.911	77%	0.768	S	S	*	*			trans	-137.8	152	158.9	-73.6	-162.7	135.7	0	0	110.8
343	T	33.1	Very low	33.7	Very low	127 Å²	127	137.4 Å²	137.4	78%	0.779	77%	0.765	S	S	*	*			trans	-143.7	134.1	-174	52.4	0	0	0	0	109.9
344	L	35.1	Very low	33.8	Very low	179 Å²	179	142.2 Å²	142.2	94%	0.937	77%	0.765	S	S	*	*			trans	-160.1	176.4	155.1	-134.9	67.7	0	0	0	112.4
345	S	30.1	Very low	33.6	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	77%	0.77	S	S	*	*			trans	-153.5	148.8	-150.8	53.9	0	0	0	0	114.5
346	T	31.7	Very low	33.8	Very low	120 Å²	120	141.2 Å²	141.2	74%	0.736	77%	0.773	S	S	*	*			trans	-173.5	130.2	153.4	24.3	0	0	0	0	108.3
347	E	35.4	Very low	33.9	Very low	171 Å²	171	140.2 Å²	140.2	80%	0.799	78%	0.78	S	S	*	*				66.1	137.3	88.7	-66.5	-179.9	-177.7	0	0	113.9
348	T	34.9	Very low	34	Very low	117 Å²	117	141.1 Å²	141.1	72%	0.718	78%	0.779	S	S	*	*			cis	-159.1	130.2	17.8	1	0	0	0	0	108.9
349	S	33.2	Very low	34.2	Very low	95 Å²	95	142 Å²	142	66%	0.664	78%	0.784	S	S	*	*				77.7	153.1	98.7	76.3	0	0	0	0	118.6
350	I	37.8	Very low	34.6	Very low	152 Å²	152	141.8 Å²	141.8	78%	0.779	78%	0.78	S	S	*	*			trans	78.2	142	172.3	-61.2	172.3	0	0	0	114.9
351	E	36.6	Very low	34.6	Very low	169 Å²	169	140.3 Å²	140.3	79%	0.79	78%	0.779	S	S	*	*			cis	-165.2	-164.4	-25.3	-99.7	-161.5	114.3	0	0	107.2
352	A	36.9	Very low	34.6	Very low	82 Å²	82	141.9 Å²	141.9	68%	0.678	78%	0.779	S	S	*	*				179.8	123.7	-78.2	0	0	0	0	0	110
353	D	36.3	Very low	34.5	Very low	142 Å²	142	137.9 Å²	137.9	76%	0.759	78%	0.78	S	S	*	*			trans	-153	175.1	165.8	-148.7	5.8	0	0	0	115.1
354	R	36.5	Very low	34.5	Very low	220 Å²	220	135.3 Å²	135.3	83%	0.83	78%	0.778	S	S	*	*			trans	-66.5	156.7	-146.7	-69.5	137.2	-157	-150.5	-5.7	122
355	S	30.7	Very low	34.5	Very low	111 Å²	111	132.9 Å²	132.9	78%	0.776	78%	0.776	S	S	*	*			trans	-91.8	-178.9	159.1	-41.4	0	0	0	0	112.4
356	P	37.3	Very low	34.8	Very low	137 Å²	137	134.1 Å²	134.1	89%	0.89	78%	0.782	S	S	*	*				-147.1	179.3	90.9	38.1	-20.1	0	0	0	115.6
357	S	30.4	Very low	34.8	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	79%	0.789	S	S	*	*			trans	-121.3	161	-168.4	62.4	0	0	0	0	115.1
358	I	35.5	Very low	34.9	Very low	158 Å²	158	136.8 Å²	136.8	81%	0.81	79%	0.794	S	S	*	*			trans	-130.7	103.2	161.9	-60.7	-176.4	0	0	0	112.3
359	N	36.6	Very low	34.7	Very low	149 Å²	149	137.4 Å²	137.4	80%	0.797	80%	0.798	S	S	*	*			trans	51.5	135.9	142.5	-58.9	-25.3	0	0	0	124.7
360	Q	34.4	Very low	35.2	Very low	145 Å²	145	139.4 Å²	139.4	68%	0.678	81%	0.806	S	S	*	*			trans	-93.3	174.9	168.5	-49.2	176.7	-18	0	0	111.1	K362	Q360-K362 VanDerWaalsContact OE1-CD 3.26Å
361	P	35.3	Very low	35.4	Very low	124 Å²	124	141.6 Å²	141.6	81%	0.805	81%	0.81	S	S	*	*				-136.8	151.5	72.1	30.1	-10.6	0	0	0	114.2
362	K	31.3	Very low	36	Very low	180 Å²	180	144.2 Å²	144.2	78%	0.783	81%	0.813	S	S	*	*			cis	80	86.3	48.1	-90.1	-177	174.5	167.7	0	116.9	Q360	Q360-K362 VanDerWaalsContact OE1-CD 3.26Å
363	A	34.9	Very low	36.9	Very low	111 Å²	111	143.8 Å²	143.8	92%	0.917	80%	0.803	S	S	*	*			trans	-174	149	144.2	0	0	0	0	0	108.6
364	G	34.8	Very low	37.9	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	80%	0.8	S	S	*	*			cis	163.4	110.1	-7.3	0	0	0	0	0	110.4
365	S	33.9	Very low	39.5	Very low	127 Å²	127	133.1 Å²	133.1	89%	0.888	77%	0.77	S	S	*	*			trans	-81.3	141.9	179.7	-54.8	0	0	0	0	112.3
366	P	37.3	Very low	41.2	Very low	127 Å²	127	133.8 Å²	133.8	83%	0.825	76%	0.764	S	S	*	*				-142.8	167.5	118.8	36.5	-22.4	0	0	0	114.5
367	A	32.1	Very low	42.6	Very low	106 Å²	106	138.8 Å²	138.8	88%	0.876	77%	0.766	S	S	*	*			trans	-75.1	153.1	-174.6	0	0	0	0	0	114.4
368	R	36	Very low	44.8	Very low	240 Å²	240	137.7 Å²	137.7	91%	0.906	75%	0.751	S	S	*	*			trans	-144.9	127.9	159.5	-156.4	173.1	-165.9	178.2	6.1	112.8	T370	R368-T370 PolarHBondContact O-N 3.49Å
369	T	31.3	Very low	46.8	Very low	130 Å²	130	133.7 Å²	133.7	80%	0.798	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.5	179.7	56.2	0	0	0	0	112.5
370	T	42.5	Very low	48.9	Very low	138 Å²	138	134.1 Å²	134.1	85%	0.847	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-101.6	126.9	167.8	48.4	0	0	0	0	110.5	R368	R368-T370 PolarHBondContact O-N 3.49Å
371	K	43.7	Very low	51.4	Low	197 Å²	197	128.7 Å²	128.7	86%	0.857	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-73.2	146.9	-174.4	-63.6	173.2	-179.2	175.8	0	110.4
372	R	48.1	Very low	53.8	Low	224 Å²	224	127.3 Å²	127.3	85%	0.845	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-47.3	135.2	173.1	-74.1	-173	178.6	-171	0.3	110.4	L376	R372-L376 HydrophobicContact CB-CD1 4.26Å
373	P	57	Low	56.2	Low	74 Å²	74	127.4 Å²	127.4	48%	0.481	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-61.4	139.7	-169.2	21	-32.9	0	0	0	112.7	C375 L376	P373-C375 PolarHBondContact O-N 2.95Å; P373-L376 HydrophobicContact CG-CD1 3.96Å; P373-L376 HydrophobicContact CG-CG 4.5Å; P373-L376 PolarHBondContact O-N 3.06Å; P373-L376 VanDerWaalsContact O-N 3.09Å
374	P	55.9	Low	58.6	Low	107 Å²	107	122.2 Å²	122.2	70%	0.695	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-55.7	-29.9	-171.7	-29.1	35.8	0	0	0	115.6	L376 R377	P374-L376 PolarHBondContact O-N 3.09Å; P374-L376 VanDerWaalsContact O-N 3.12Å; P374-R377 PolarHBondContact O-N 2.99Å; P374-R377 VanDerWaalsContact O-N 3.16Å
375	C	70.7	Confident	60.8	Low	30 Å²	30	123.1 Å²	123.1	20%	0.203	65%	0.646	C	S	.	*	G	3₁₀ helix	trans	-54.9	-26.1	177	-89.1	0	0	0	0	114.5	P373 R377 N378 C384	P373-C375 PolarHBondContact O-N 2.95Å; C375-R377 VanDerWaalsContact C-N 3.29Å; C375-R377 PolarHBondContact O-N 3.29Å; C375-N378 CarbonylContact O-C 3.56Å; C375-C384 VanDerWaalsContact CA-SG 3.55Å; C375-C384 HydrophobicContact CB-CB 4.15Å; C375-C384 WeakPolarHBondContact CB-SG 3.31Å; C375-C384 WeakPolarHBondContact SG-CA 3.32Å; C375-C384 WeakPolarHBondContact SG-CB 3.28Å; C375-C384 CovalentContact SG-SG 2.04Å; C375-C384 PolarHBondContact SG-SG 3Å
376	L	66.8	Low	63.4	Low	125 Å²	125	126.2 Å²	126.2	65%	0.654	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-69.8	-20	179.9	-78.3	165.3	0	0	0	114.1	R372 P373 P374	R372-L376 HydrophobicContact CB-CD1 4.26Å; P373-L376 HydrophobicContact CG-CD1 3.96Å; P373-L376 HydrophobicContact CG-CG 4.5Å; P373-L376 PolarHBondContact O-N 3.06Å; P373-L376 VanDerWaalsContact O-N 3.09Å; P374-L376 PolarHBondContact O-N 3.09Å; P374-L376 VanDerWaalsContact O-N 3.12Å
377	R	66.1	Low	65.6	Low	242 Å²	242	124.1 Å²	124.1	91%	0.913	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-25.4	179.1	-82.5	-173.3	170.3	-173.8	-3.6	114.2	P374 C375	P374-R377 PolarHBondContact O-N 2.99Å; P374-R377 VanDerWaalsContact O-N 3.16Å; C375-R377 VanDerWaalsContact C-N 3.29Å; C375-R377 PolarHBondContact O-N 3.29Å
378	N	76.1	Confident	68	Low	84 Å²	84	124.6 Å²	124.6	45%	0.449	60%	0.597	S	S	.	*			trans	-152.8	92.2	174.4	-173.2	-27.4	0	0	0	110	C375 E380 S381	C375-N378 CarbonylContact O-C 3.56Å; N378-E380 PolarHBondContact O-N 3.28Å; N378-E380 PolarHBondContact OD1-N 3.22Å; N378-S381 PolarHBondContact O-N 3.06Å; N378-S381 PolarHBondContact O-OG 3.13Å; N378-S381 PolarHBondContact OD1-N 2.97Å
379	P	78.3	Confident	70.4	Confident	74 Å²	74	122.1 Å²	122.1	48%	0.481	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-11.9	-175.7	30.4	-35.9	0	0	0	114	R388	P379-R388 PolarHBondContact O-NH2 3.25Å
380	E	80	Confident	73	Confident	158 Å²	158	124.8 Å²	124.8	74%	0.738	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-8.7	177.7	-58.3	-163.8	147.4	0	0	113	N378 I385	N378-E380 PolarHBondContact O-N 3.28Å; N378-E380 PolarHBondContact OD1-N 3.22Å; E380-I385 VanDerWaalsContact O-CD1 3.24Å; E380-I385 WeakPolarHBondContact O-CD1 3.32Å
381	S	87	Confident	74.9	Confident	31 Å²	31	122.2 Å²	122.2	22%	0.217	56%	0.561	C	S	.	*	S	Bend	trans	-57.1	135.9	179.6	62.9	0	0	0	0	111.4	N378 K383 C384 I385	N378-S381 PolarHBondContact O-N 3.06Å; N378-S381 PolarHBondContact O-OG 3.13Å; N378-S381 PolarHBondContact OD1-N 2.97Å; S381-K383 PolarHBondContact O-N 3.38Å; S381-C384 WeakPolarHBondContact O-CA 3.2Å; S381-C384 PolarHBondContact O-N 3.28Å; S381-C384 VanDerWaalsContact OG-CB 3.28Å; S381-C384 WeakPolarHBondContact OG-CB 2.86Å; S381-C384 PolarHBondContact OG-N 2.74Å; S381-I385 PolarHBondContact O-N 2.8Å
382	P	85.1	Confident	76.7	Confident	96 Å²	96	116.6 Å²	116.6	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-56.7	-25.9	179.7	-29.7	36	0	0	0	114.2	R386	P382-R386 WeakPolarHBondContact O-CB 3.5Å; P382-R386 VanDerWaalsContact O-CG 3.23Å; P382-R386 WeakPolarHBondContact O-CG 3.3Å; P382-R386 PolarHBondContact O-N 2.79Å; P382-R386 VanDerWaalsContact O-N 3.09Å
383	K	81.6	Confident	78.5	Confident	181 Å²	181	111 Å²	111	79%	0.787	52%	0.521	S	S	*	.	H	α-helix	trans	-66.6	-48.4	170.7	-70.4	-174.2	176.9	-179.5	0	111.7	S381 R386 Q387	S381-K383 PolarHBondContact O-N 3.38Å; K383-R386 PolarHBondContact O-N 3.18Å; K383-Q387 WeakPolarHBondContact O-CB 3.42Å; K383-Q387 PolarHBondContact O-N 3.31Å
384	C	85.5	Confident	79.9	Confident	3 Å²	3	112.3 Å²	112.3	2%	0.02	52%	0.521	C	S	.	.	H	α-helix	trans	-65.3	-39.9	177.2	-177.2	0	0	0	0	112.4	C375 S381 Q387 R388	C375-C384 VanDerWaalsContact CA-SG 3.55Å; C375-C384 HydrophobicContact CB-CB 4.15Å; C375-C384 WeakPolarHBondContact CB-SG 3.31Å; C375-C384 WeakPolarHBondContact SG-CA 3.32Å; C375-C384 WeakPolarHBondContact SG-CB 3.28Å; C375-C384 CovalentContact SG-SG 2.04Å; C375-C384 PolarHBondContact SG-SG 3Å; S381-C384 WeakPolarHBondContact O-CA 3.2Å; S381-C384 PolarHBondContact O-N 3.28Å; S381-C384 VanDerWaalsContact OG-CB 3.28Å; S381-C384 WeakPolarHBondContact OG-CB 2.86Å; S381-C384 PolarHBondContact OG-N 2.74Å; C384-Q387 PolarHBondContact O-N 3.43Å; C384-R388 WeakPolarHBondContact O-CB 3.5Å; C384-R388 PolarHBondContact O-N 3.03Å; C384-R388 PolarHBondContact SG-NH2 3.35Å
385	I	82.7	Confident	80.8	Confident	92 Å²	92	112.3 Å²	112.3	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-45.8	176.1	-63.7	174	0	0	0	110.9	E380 S381 Q387 R389	E380-I385 VanDerWaalsContact O-CD1 3.24Å; E380-I385 WeakPolarHBondContact O-CD1 3.32Å; S381-I385 PolarHBondContact O-N 2.8Å; I385-Q387 PolarHBondContact O-N 2.99Å; I385-R389 PolarHBondContact O-N 3.04Å; I385-R389 VanDerWaalsContact O-N 3.11Å
386	R	86.7	Confident	81.2	Confident	192 Å²	192	115.7 Å²	115.7	73%	0.725	52%	0.52	S	S	*	.	H	α-helix	trans	-63.4	-38.1	175.7	-74.9	174.7	-179.2	-170.3	0.6	112.6	P382 K383 R390	P382-R386 WeakPolarHBondContact O-CB 3.5Å; P382-R386 VanDerWaalsContact O-CG 3.23Å; P382-R386 WeakPolarHBondContact O-CG 3.3Å; P382-R386 PolarHBondContact O-N 2.79Å; P382-R386 VanDerWaalsContact O-N 3.09Å; K383-R386 PolarHBondContact O-N 3.18Å; R386-R390 PolarHBondContact O-N 3.38Å
387	Q	85.2	Confident	82	Confident	83 Å²	83	116.5 Å²	116.5	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-65.9	-51.1	176.3	174.3	164.4	-9	0	0	111.6	K383 C384 I385 R389 R390 E391	K383-Q387 WeakPolarHBondContact O-CB 3.42Å; K383-Q387 PolarHBondContact O-N 3.31Å; C384-Q387 PolarHBondContact O-N 3.43Å; I385-Q387 PolarHBondContact O-N 2.99Å; Q387-R389 PolarHBondContact O-N 2.95Å; Q387-R390 WeakPolarHBondContact O-CA 3.31Å; Q387-R390 WeakPolarHBondContact O-CB 3.19Å; Q387-R390 PolarHBondContact O-N 2.99Å; Q387-E391 HydrophobicContact CG-CG 4.41Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.4Å; Q387-E391 PolarHBondContact NE2-OE1 2.96Å; Q387-E391 WeakPolarHBondContact O-CG 3.4Å; Q387-E391 PolarHBondContact O-N 3.43Å
388	R	82.6	Confident	82.7	Confident	116 Å²	116	109.4 Å²	109.4	44%	0.438	49%	0.492	S	S	.	.	H	α-helix	trans	-57.4	-35.9	178.8	-157.8	-177.3	-54.1	151.3	12	112.2	P379 C384 E391 E392	P379-R388 PolarHBondContact O-NH2 3.25Å; C384-R388 WeakPolarHBondContact O-CB 3.5Å; C384-R388 PolarHBondContact O-N 3.03Å; C384-R388 PolarHBondContact SG-NH2 3.35Å; R388-E391 PolarHBondContact O-N 3.45Å; R388-E392 PolarHBondContact O-N 3.49Å
389	R	85	Confident	82.5	Confident	187 Å²	187	112.4 Å²	112.4	71%	0.706	50%	0.497	S	S	*	.	H	α-helix	trans	-66.8	-35	175.3	-155	-179.9	-153.7	-174.9	7.6	113.2	I385 Q387 Q393	I385-R389 PolarHBondContact O-N 3.04Å; I385-R389 VanDerWaalsContact O-N 3.11Å; Q387-R389 PolarHBondContact O-N 2.95Å; R389-Q393 WeakPolarHBondContact O-CG 3.47Å; R389-Q393 PolarHBondContact O-N 3.45Å; R389-Q393 VanDerWaalsContact O-N 3.16Å
390	R	86	Confident	82.3	Confident	187 Å²	187	112.6 Å²	112.6	71%	0.706	49%	0.494	S	S	*	.	H	α-helix	trans	-70.9	-41.2	173.7	-72	176	172.8	-178.1	-4.6	111.7	R386 Q387 E392 Q393 Q394	R386-R390 PolarHBondContact O-N 3.38Å; Q387-R390 WeakPolarHBondContact O-CA 3.31Å; Q387-R390 WeakPolarHBondContact O-CB 3.19Å; Q387-R390 PolarHBondContact O-N 2.99Å; R390-E392 VanDerWaalsContact C-N 3.31Å; R390-E392 PolarHBondContact O-N 3.38Å; R390-Q393 PolarHBondContact O-N 3.21Å; R390-Q394 WeakPolarHBondContact O-CB 3.36Å; R390-Q394 PolarHBondContact O-N 2.94Å
391	E	82.7	Confident	82.3	Confident	83 Å²	83	111 Å²	111	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-36.2	176.8	-68.4	163.3	175.2	0	0	111.6	Q387 R388 Q394 R395	Q387-E391 HydrophobicContact CG-CG 4.41Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.4Å; Q387-E391 PolarHBondContact NE2-OE1 2.96Å; Q387-E391 WeakPolarHBondContact O-CG 3.4Å; Q387-E391 PolarHBondContact O-N 3.43Å; R388-E391 PolarHBondContact O-N 3.45Å; E391-Q394 PolarHBondContact O-N 3.24Å; E391-R395 PolarHBondContact O-N 3.05Å
392	E	80.7	Confident	81.8	Confident	79 Å²	79	116.8 Å²	116.8	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-49.7	171.5	-154.9	66.4	-122.2	0	0	111.9	R388 R390 Q394 R395 Q396	R388-E392 PolarHBondContact O-N 3.49Å; R390-E392 VanDerWaalsContact C-N 3.31Å; R390-E392 PolarHBondContact O-N 3.38Å; E392-Q394 PolarHBondContact O-N 3.33Å; E392-R395 VanDerWaalsContact CD-NH1 3.35Å; E392-R395 VanDerWaalsContact CD-NH2 3.26Å; E392-R395 PolarHBondContact O-N 3.24Å; E392-R395 IonicContact OE1-CZ 3.99Å; E392-R395 IonicContact OE1-NH1 2.69Å; E392-R395 PolarHBondContact OE1-NH1 2.76Å; E392-R395 IonicContact OE1-NH2 2.62Å; E392-R395 PolarHBondContact OE1-NH2 2.82Å; E392-R395 IonicContact OE2-CZ 2.99Å; E392-R395 IonicContact OE2-NH1 2.61Å; E392-R395 PolarHBondContact OE2-NH1 3.47Å; E392-R395 IonicContact OE2-NH2 2.62Å; E392-R395 PolarHBondContact OE2-NH2 2.79Å; E392-Q396 WeakPolarHBondContact O-CG 3.19Å; E392-Q396 PolarHBondContact O-N 3.01Å
393	Q	87.2	Confident	81	Confident	106 Å²	106	118.2 Å²	118.2	50%	0.495	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-19.7	177.1	-74.8	-180	-40	0	0	113.9	R389 R390 R397	R389-Q393 WeakPolarHBondContact O-CG 3.47Å; R389-Q393 PolarHBondContact O-N 3.45Å; R389-Q393 VanDerWaalsContact O-N 3.16Å; R390-Q393 PolarHBondContact O-N 3.21Å; Q393-R397 PolarHBondContact O-NE 3.24Å
394	Q	86.4	Confident	80.6	Confident	102 Å²	102	117.6 Å²	117.6	48%	0.477	49%	0.493	S	S	.	.	H	α-helix	trans	-82.6	-47.8	172.1	178.5	158	-19.8	0	0	111.1	R390 E391 E392 Q396 R397 E398	R390-Q394 WeakPolarHBondContact O-CB 3.36Å; R390-Q394 PolarHBondContact O-N 2.94Å; E391-Q394 PolarHBondContact O-N 3.24Å; E392-Q394 PolarHBondContact O-N 3.33Å; Q394-Q396 PolarHBondContact O-N 3.32Å; Q394-Q396 VanDerWaalsContact O-N 3.16Å; Q394-R397 PolarHBondContact O-N 3.46Å; Q394-E398 HydrophobicContact CG-CG 4.32Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.3Å; Q394-E398 PolarHBondContact NE2-OE1 3.16Å; Q394-E398 WeakPolarHBondContact O-CG 3.24Å; Q394-E398 PolarHBondContact O-N 2.79Å
395	R	75.1	Confident	80.1	Confident	107 Å²	107	118.8 Å²	118.8	40%	0.404	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-21.2	173.5	-76.5	-175.9	-74.4	99.4	1.5	114.4	E391 E392 R399	E391-R395 PolarHBondContact O-N 3.05Å; E392-R395 VanDerWaalsContact CD-NH1 3.35Å; E392-R395 VanDerWaalsContact CD-NH2 3.26Å; E392-R395 PolarHBondContact O-N 3.24Å; E392-R395 IonicContact OE1-CZ 3.99Å; E392-R395 IonicContact OE1-NH1 2.69Å; E392-R395 PolarHBondContact OE1-NH1 2.76Å; E392-R395 IonicContact OE1-NH2 2.62Å; E392-R395 PolarHBondContact OE1-NH2 2.82Å; E392-R395 IonicContact OE2-CZ 2.99Å; E392-R395 IonicContact OE2-NH1 2.61Å; E392-R395 PolarHBondContact OE2-NH1 3.47Å; E392-R395 IonicContact OE2-NH2 2.62Å; E392-R395 PolarHBondContact OE2-NH2 2.79Å; R395-R399 WeakPolarHBondContact O-CB 3.5Å; R395-R399 PolarHBondContact O-N 2.72Å
396	Q	77.8	Confident	78.8	Confident	101 Å²	101	118.4 Å²	118.4	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-75.3	-45.9	168.8	-72.7	177.1	-59.9	0	0	111.7	E392 Q394 E398 R399 D400	E392-Q396 WeakPolarHBondContact O-CG 3.19Å; E392-Q396 PolarHBondContact O-N 3.01Å; Q394-Q396 PolarHBondContact O-N 3.32Å; Q394-Q396 VanDerWaalsContact O-N 3.16Å; Q396-E398 PolarHBondContact O-N 2.87Å; Q396-R399 WeakPolarHBondContact O-CB 3.23Å; Q396-R399 PolarHBondContact O-N 3.42Å; Q396-R399 VanDerWaalsContact O-N 3.15Å; Q396-D400 VanDerWaalsContact O-CG 3.29Å; Q396-D400 PolarHBondContact O-N 3.46Å
397	R	84.5	Confident	77.3	Confident	143 Å²	143	111.9 Å²	111.9	54%	0.54	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.2	-77.7	177.8	-72.9	163.1	4.3	112.8	Q393 Q394 R399 D400 E401	Q393-R397 PolarHBondContact O-NE 3.24Å; Q394-R397 PolarHBondContact O-N 3.46Å; R397-R399 PolarHBondContact O-N 3.28Å; R397-D400 PolarHBondContact O-N 3.01Å; R397-D400 VanDerWaalsContact O-N 3.13Å; R397-E401 WeakPolarHBondContact O-CB 3.4Å; R397-E401 WeakPolarHBondContact O-CG 3.33Å; R397-E401 PolarHBondContact O-N 2.92Å
398	E	81.2	Confident	75.8	Confident	93 Å²	93	115.1 Å²	115.1	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-34	174.6	-69.7	162.3	177.2	0	0	111.6	Q394 Q396 W402	Q394-E398 HydrophobicContact CG-CG 4.32Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.3Å; Q394-E398 PolarHBondContact NE2-OE1 3.16Å; Q394-E398 WeakPolarHBondContact O-CG 3.24Å; Q394-E398 PolarHBondContact O-N 2.79Å; Q396-E398 PolarHBondContact O-N 2.87Å; E398-W402 WeakPolarHBondContact O-CB 3.41Å; E398-W402 PolarHBondContact O-N 3.46Å
399	R	70.4	Confident	74.4	Confident	146 Å²	146	118.7 Å²	118.7	55%	0.551	52%	0.516	S	S	*	.	H	α-helix	trans	-73	-42.9	174.3	-166.8	-169.6	-54.5	-154.6	1.2	112.3	R395 Q396 R397 E401 W402 F403	R395-R399 WeakPolarHBondContact O-CB 3.5Å; R395-R399 PolarHBondContact O-N 2.72Å; Q396-R399 WeakPolarHBondContact O-CB 3.23Å; Q396-R399 PolarHBondContact O-N 3.42Å; Q396-R399 VanDerWaalsContact O-N 3.15Å; R397-R399 PolarHBondContact O-N 3.28Å; R399-E401 VanDerWaalsContact C-N 3.3Å; R399-E401 PolarHBondContact O-N 3.26Å; R399-W402 PolarHBondContact O-N 3.12Å; R399-F403 HydrophobicContact CG-CD2 3.99Å; R399-F403 HydrophobicContact CG-CE2 3.89Å; R399-F403 WeakPolarHBondContact O-CD2 3.47Å; R399-F403 PolarHBondContact O-N 3.3Å
400	D	74.4	Confident	72.3	Confident	79 Å²	79	115.3 Å²	115.3	42%	0.422	51%	0.509	S	S	.	.	H	α-helix	trans	-69.7	-28	178.3	-63.6	-17.7	0	0	0	112.5	Q396 R397 R404	Q396-D400 VanDerWaalsContact O-CG 3.29Å; Q396-D400 PolarHBondContact O-N 3.46Å; R397-D400 PolarHBondContact O-N 3.01Å; R397-D400 VanDerWaalsContact O-N 3.13Å; D400-R404 WeakPolarHBondContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CG 3.43Å; D400-R404 PolarHBondContact O-N 3.2Å; D400-R404 PolarHBondContact O-NE 3.13Å; D400-R404 VanDerWaalsContact O-NE 3.1Å
401	E	80.9	Confident	70.1	Confident	125 Å²	125	111 Å²	111	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-74.1	-43.3	170.3	-75.8	171.4	-176.5	0	0	110.8	R397 R399 F403 R404 G405	R397-E401 WeakPolarHBondContact O-CB 3.4Å; R397-E401 WeakPolarHBondContact O-CG 3.33Å; R397-E401 PolarHBondContact O-N 2.92Å; R399-E401 VanDerWaalsContact C-N 3.3Å; R399-E401 PolarHBondContact O-N 3.26Å; E401-F403 PolarHBondContact O-N 2.99Å; E401-R404 PolarHBondContact O-N 3.11Å; E401-G405 PolarHBondContact O-N 3.13Å
402	W	76.6	Confident	68.3	Low	152 Å²	152	112.3 Å²	112.3	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-46.2	174	-173.8	88.1	0	0	0	112.1	E398 R399 R404 G405 Q406	E398-W402 WeakPolarHBondContact O-CB 3.41Å; E398-W402 PolarHBondContact O-N 3.46Å; R399-W402 PolarHBondContact O-N 3.12Å; W402-R404 VanDerWaalsContact C-N 3.33Å; W402-R404 PolarHBondContact O-N 3.42Å; W402-G405 PolarHBondContact O-N 3Å; W402-Q406 HydrophobicContact CD2-CG 4.01Å; W402-Q406 HydrophobicContact CE3-CG 3.98Å; W402-Q406 HydrophobicContact CH2-CG 3.77Å; W402-Q406 HydrophobicContact CZ2-CG 3.77Å; W402-Q406 HydrophobicContact CZ3-CG 3.87Å; W402-Q406 WeakPolarHBondContact O-CG 3.48Å; W402-Q406 PolarHBondContact O-N 3.47Å
403	F	68.2	Low	66.6	Low	125 Å²	125	118.6 Å²	118.6	55%	0.548	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-36.1	174.6	-85.2	-64	0	0	0	112.9	R399 E401 Q406 S407	R399-F403 HydrophobicContact CG-CD2 3.99Å; R399-F403 HydrophobicContact CG-CE2 3.89Å; R399-F403 WeakPolarHBondContact O-CD2 3.47Å; R399-F403 PolarHBondContact O-N 3.3Å; E401-F403 PolarHBondContact O-N 2.99Å; F403-Q406 PolarHBondContact O-N 3.06Å; F403-S407 WeakPolarHBondContact O-CB 3.35Å; F403-S407 PolarHBondContact O-N 2.97Å
404	R	73.4	Confident	64.7	Low	168 Å²	168	117.8 Å²	117.8	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-65.8	-39	172.3	-86	178.9	-101.8	-146.5	-6.1	112.7	D400 E401 W402 S407	D400-R404 WeakPolarHBondContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CG 3.43Å; D400-R404 PolarHBondContact O-N 3.2Å; D400-R404 PolarHBondContact O-NE 3.13Å; D400-R404 VanDerWaalsContact O-NE 3.1Å; E401-R404 PolarHBondContact O-N 3.11Å; W402-R404 VanDerWaalsContact C-N 3.33Å; W402-R404 PolarHBondContact O-N 3.42Å; R404-S407 WeakPolarHBondContact O-CB 3.31Å; R404-S407 PolarHBondContact O-N 3.45Å
405	G	73.7	Confident	62.9	Low	28 Å²	28	118.3 Å²	118.3	29%	0.289	53%	0.531	S	S	.	.	H	α-helix	trans	-61	-48.9	172.3	0	0	0	0	0	111.9	E401 W402 S407 Q408 Y409	E401-G405 PolarHBondContact O-N 3.13Å; W402-G405 PolarHBondContact O-N 3Å; G405-S407 VanDerWaalsContact C-N 3.3Å; G405-S407 PolarHBondContact O-N 3.1Å; G405-Q408 PolarHBondContact O-N 2.82Å; G405-Y409 WeakPolarHBondContact O-CD2 3.46Å
406	Q	55.5	Low	61.5	Low	84 Å²	84	117.4 Å²	117.4	39%	0.393	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-34.3	176.3	-63.9	-53.8	-63.8	0	0	112.8	W402 F403 Q408 Y409 M410	W402-Q406 HydrophobicContact CD2-CG 4.01Å; W402-Q406 HydrophobicContact CE3-CG 3.98Å; W402-Q406 HydrophobicContact CH2-CG 3.77Å; W402-Q406 HydrophobicContact CZ2-CG 3.77Å; W402-Q406 HydrophobicContact CZ3-CG 3.87Å; W402-Q406 WeakPolarHBondContact O-CG 3.48Å; W402-Q406 PolarHBondContact O-N 3.47Å; F403-Q406 PolarHBondContact O-N 3.06Å; Q406-Q408 PolarHBondContact O-N 3.47Å; Q406-Y409 PolarHBondContact O-N 3.1Å; Q406-Y409 VanDerWaalsContact O-N 3.1Å; Q406-M410 VanDerWaalsContact O-CG 3.31Å; Q406-M410 WeakPolarHBondContact O-CG 3.32Å; Q406-M410 PolarHBondContact O-N 3.09Å
407	S	55.9	Low	60	Low	56 Å²	56	117 Å²	117	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-54.9	-35.9	177.5	-170.5	0	0	0	0	113.2	F403 R404 G405 Y409 M410	F403-S407 WeakPolarHBondContact O-CB 3.35Å; F403-S407 PolarHBondContact O-N 2.97Å; R404-S407 WeakPolarHBondContact O-CB 3.31Å; R404-S407 PolarHBondContact O-N 3.45Å; G405-S407 VanDerWaalsContact C-N 3.3Å; G405-S407 PolarHBondContact O-N 3.1Å; S407-Y409 VanDerWaalsContact C-N 3.35Å; S407-M410 PolarHBondContact O-N 3.39Å
408	Q	54.5	Low	58.3	Low	151 Å²	151	112.8 Å²	112.8	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-72.6	-26.2	-178.7	-68.3	-177	-23.7	0	0	113.2	G405 Q406	G405-Q408 PolarHBondContact O-N 2.82Å; Q406-Q408 PolarHBondContact O-N 3.47Å
409	Y	51.6	Low	56.6	Low	190 Å²	190	114.2 Å²	114.2	75%	0.745	53%	0.533	S	S	*	.	H	α-helix	trans	-88.2	-13.4	177.7	-66.7	-77.6	0	0	0	113.6	G405 Q406 S407	G405-Y409 WeakPolarHBondContact O-CD2 3.46Å; Q406-Y409 PolarHBondContact O-N 3.1Å; Q406-Y409 VanDerWaalsContact O-N 3.1Å; S407-Y409 VanDerWaalsContact C-N 3.35Å
410	M	40.9	Very low	55.5	Low	116 Å²	116	111.3 Å²	111.3	57%	0.571	53%	0.532	S	S	*	.	S	Bend	trans	-90.2	-11.1	-177.1	-69.6	-76.4	-80	0	0	114.3	Q406 S407 F414	Q406-M410 VanDerWaalsContact O-CG 3.31Å; Q406-M410 WeakPolarHBondContact O-CG 3.32Å; Q406-M410 PolarHBondContact O-N 3.09Å; S407-M410 PolarHBondContact O-N 3.39Å; M410-F414 VanDerWaalsContact O-CD2 3.28Å; M410-F414 WeakPolarHBondContact O-CD2 3.22Å
411	Q	40.2	Very low	54.2	Low	96 Å²	96	111.4 Å²	111.4	45%	0.449	53%	0.532	S	S	.	.	S	Bend	trans	-87.9	-30.5	-161.3	-83.4	-174.1	-73.6	0	0	119.7	R413	Q411-R413 VanDerWaalsContact C-N 3.28Å; Q411-R413 PolarHBondContact O-N 3.35Å; Q411-R413 VanDerWaalsContact O-N 3.13Å
412	P	44.8	Very low	52.6	Low	112 Å²	112	109.1 Å²	109.1	73%	0.727	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	13.7	-170.2	34.5	-37.2	0	0	0	115.7
413	R	45	Very low	51	Low	210 Å²	210	106 Å²	106	79%	0.792	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	0	177	-95.5	-168.7	-177.8	-160.6	0.4	115.6	Q411	Q411-R413 VanDerWaalsContact C-N 3.28Å; Q411-R413 PolarHBondContact O-N 3.35Å; Q411-R413 VanDerWaalsContact O-N 3.13Å
414	F	48.5	Very low	50	Low	90 Å²	90	104 Å²	104	40%	0.395	52%	0.516	S	S	.	.			trans	-117.5	8	-173.9	-71.1	-89.7	0	0	0	113.7	M410 I417 I418	M410-F414 VanDerWaalsContact O-CD2 3.28Å; M410-F414 WeakPolarHBondContact O-CD2 3.22Å; F414-I417 HydrophobicContact CD1-CB 4.38Å; F414-I417 HydrophobicContact CD1-CD1 3.73Å; F414-I417 HydrophobicContact CD1-CG2 4.5Å; F414-I417 HydrophobicContact CE1-CD1 4.15Å; F414-I417 CarbonylContact O-C 3.53Å; F414-I417 WeakPolarHBondContact O-CA 3.47Å; F414-I417 PolarHBondContact O-N 3.38Å; F414-I418 HydrophobicContact CB-CD1 4.08Å; F414-I418 HydrophobicContact CB-CG1 4.27Å; F414-I418 WeakPolarHBondContact O-CG1 3.47Å; F414-I418 PolarHBondContact O-N 3.42Å
415	E	48	Very low	48.5	Very low	113 Å²	113	101.9 Å²	101.9	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-43	-52.2	177	-131.7	75.2	-123.6	0	0	113.6	I417 I418 Q419	E415-I417 VanDerWaalsContact C-N 3.31Å; E415-I417 PolarHBondContact O-N 3.19Å; E415-I418 PolarHBondContact O-N 2.92Å; E415-Q419 VanDerWaalsContact O-CB 3.26Å; E415-Q419 WeakPolarHBondContact O-CB 3.42Å; E415-Q419 PolarHBondContact O-N 3Å
416	P	44.7	Very low	46.8	Very low	88 Å²	88	109.4 Å²	109.4	57%	0.571	53%	0.531	S	S	*	.	H	α-helix	trans	-66.8	-33.3	-178	-20.1	34.1	0	0	0	112.6	T420	P416-T420 VanDerWaalsContact O-CB 3.31Å; P416-T420 WeakPolarHBondContact O-CB 3.33Å; P416-T420 PolarHBondContact O-N 2.94Å; P416-T420 PolarHBondContact O-OG1 2.81Å
417	I	47.3	Very low	45.9	Very low	91 Å²	91	113.7 Å²	113.7	47%	0.467	55%	0.549	S	S	.	.	H	α-helix	trans	-75.7	-40.7	179.6	-67.3	165.7	0	0	0	110.3	F414 E415 Q419 T420 I421	F414-I417 HydrophobicContact CD1-CB 4.38Å; F414-I417 HydrophobicContact CD1-CD1 3.73Å; F414-I417 HydrophobicContact CD1-CG2 4.5Å; F414-I417 HydrophobicContact CE1-CD1 4.15Å; F414-I417 CarbonylContact O-C 3.53Å; F414-I417 WeakPolarHBondContact O-CA 3.47Å; F414-I417 PolarHBondContact O-N 3.38Å; E415-I417 VanDerWaalsContact C-N 3.31Å; E415-I417 PolarHBondContact O-N 3.19Å; I417-Q419 VanDerWaalsContact C-N 3.34Å; I417-T420 PolarHBondContact O-N 3.26Å; I417-I421 HydrophobicContact CG2-CD1 3.88Å; I417-I421 WeakPolarHBondContact O-CB 3.26Å; I417-I421 WeakPolarHBondContact O-CD1 3.22Å; I417-I421 WeakPolarHBondContact O-CG1 3.24Å; I417-I421 PolarHBondContact O-N 2.74Å
418	I	48.2	Very low	45	Very low	56 Å²	56	115.2 Å²	115.2	29%	0.287	57%	0.565	S	S	.	*	H	α-helix	trans	-65.2	-39.4	173	-67.9	169.7	0	0	0	110.2	F414 E415 I421 N422	F414-I418 HydrophobicContact CB-CD1 4.08Å; F414-I418 HydrophobicContact CB-CG1 4.27Å; F414-I418 WeakPolarHBondContact O-CG1 3.47Å; F414-I418 PolarHBondContact O-N 3.42Å; E415-I418 PolarHBondContact O-N 2.92Å; I418-I421 PolarHBondContact O-N 3.49Å; I418-N422 VanDerWaalsContact O-CB 3.31Å; I418-N422 WeakPolarHBondContact O-CB 3.49Å; I418-N422 VanDerWaalsContact O-CG 3.24Å; I418-N422 PolarHBondContact O-N 2.72Å; I418-N422 PolarHBondContact O-ND2 2.87Å
419	Q	47	Very low	43.9	Very low	123 Å²	123	113.6 Å²	113.6	58%	0.575	57%	0.565	S	S	*	*	H	α-helix	trans	-69.4	-36.2	176.1	-162.9	161.6	7.9	0	0	111.5	E415 I417 N422 N423	E415-Q419 VanDerWaalsContact O-CB 3.26Å; E415-Q419 WeakPolarHBondContact O-CB 3.42Å; E415-Q419 PolarHBondContact O-N 3Å; I417-Q419 VanDerWaalsContact C-N 3.34Å; Q419-N422 PolarHBondContact O-N 3.19Å; Q419-N423 WeakPolarHBondContact O-CB 3.41Å; Q419-N423 PolarHBondContact O-N 2.81Å; Q419-N423 PolarHBondContact O-ND2 2.94Å; Q419-N423 PolarHBondContact O-OD1 2.89Å
420	T	46.5	Very low	42.9	Very low	85 Å²	85	108.7 Å²	108.7	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-41	171.7	-58.5	0	0	0	0	111.7	P416 I417 N422 N423 T424	P416-T420 VanDerWaalsContact O-CB 3.31Å; P416-T420 WeakPolarHBondContact O-CB 3.33Å; P416-T420 PolarHBondContact O-N 2.94Å; P416-T420 PolarHBondContact O-OG1 2.81Å; I417-T420 PolarHBondContact O-N 3.26Å; T420-N422 VanDerWaalsContact C-N 3.33Å; T420-N422 PolarHBondContact O-N 3.5Å; T420-N423 PolarHBondContact O-N 2.82Å; T420-T424 PolarHBondContact O-N 2.78Å; T420-T424 PolarHBondContact O-OG1 2.9Å
421	I	47.9	Very low	42.4	Very low	81 Å²	81	110.4 Å²	110.4	42%	0.415	57%	0.568	S	S	.	*	H	α-helix	trans	-65.4	-35.4	173	-72.3	165.8	0	0	0	111.3	I417 I418 T424 K425	I417-I421 HydrophobicContact CG2-CD1 3.88Å; I417-I421 WeakPolarHBondContact O-CB 3.26Å; I417-I421 WeakPolarHBondContact O-CD1 3.22Å; I417-I421 WeakPolarHBondContact O-CG1 3.24Å; I417-I421 PolarHBondContact O-N 2.74Å; I418-I421 PolarHBondContact O-N 3.49Å; I421-T424 WeakPolarHBondContact CA-OG1 3.35Å; I421-T424 PolarHBondContact O-OG1 3.34Å; I421-T424 VanDerWaalsContact O-OG1 3.11Å; I421-K425 HydrophobicContact CG2-CD 4.23Å; I421-K425 VanDerWaalsContact O-CB 3.29Å; I421-K425 WeakPolarHBondContact O-CB 3.35Å; I421-K425 WeakPolarHBondContact O-CG 3.26Å; I421-K425 PolarHBondContact O-N 2.76Å
422	N	45.4	Very low	42	Very low	76 Å²	76	114.5 Å²	114.5	41%	0.406	59%	0.588	S	S	.	*	H	α-helix	trans	-77.3	-31.2	176.3	-74.1	-21.9	0	0	0	112.5	I418 Q419 T420 K425 R426	I418-N422 VanDerWaalsContact O-CB 3.31Å; I418-N422 WeakPolarHBondContact O-CB 3.49Å; I418-N422 VanDerWaalsContact O-CG 3.24Å; I418-N422 PolarHBondContact O-N 2.72Å; I418-N422 PolarHBondContact O-ND2 2.87Å; Q419-N422 PolarHBondContact O-N 3.19Å; T420-N422 VanDerWaalsContact C-N 3.33Å; T420-N422 PolarHBondContact O-N 3.5Å; N422-K425 PolarHBondContact O-N 2.7Å; N422-R426 WeakPolarHBondContact O-CG 3.5Å; N422-R426 PolarHBondContact O-N 2.94Å
423	N	44.4	Very low	41.4	Very low	86 Å²	86	115.6 Å²	115.6	46%	0.46	59%	0.586	S	S	.	*	H	α-helix	trans	-69.6	-43.5	171.9	-71.5	-12.7	0	0	0	111	Q419 T420 R426 F427	Q419-N423 WeakPolarHBondContact O-CB 3.41Å; Q419-N423 PolarHBondContact O-N 2.81Å; Q419-N423 PolarHBondContact O-ND2 2.94Å; Q419-N423 PolarHBondContact O-OD1 2.89Å; T420-N423 PolarHBondContact O-N 2.82Å; N423-R426 WeakPolarHBondContact O-CB 3.49Å; N423-R426 PolarHBondContact O-N 2.95Å; N423-R426 VanDerWaalsContact O-N 3.16Å; N423-F427 PolarHBondContact O-N 3.45Å
424	T	46.4	Very low	40.9	Very low	83 Å²	83	109.5 Å²	109.5	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-67.5	-33.6	172.3	48.3	0	0	0	0	112.5	T420 I421 F427 A428	T420-T424 PolarHBondContact O-N 2.78Å; T420-T424 PolarHBondContact O-OG1 2.9Å; I421-T424 WeakPolarHBondContact CA-OG1 3.35Å; I421-T424 PolarHBondContact O-OG1 3.34Å; I421-T424 VanDerWaalsContact O-OG1 3.11Å; T424-F427 PolarHBondContact O-N 2.78Å; T424-A428 WeakPolarHBondContact O-CB 3.42Å; T424-A428 PolarHBondContact O-N 2.84Å
425	K	42.1	Very low	40.2	Very low	124 Å²	124	112.1 Å²	112.1	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-66.3	-32.8	167.9	-79.3	172.8	-180	176.6	0	113.4	I421 N422 V429	I421-K425 HydrophobicContact CG2-CD 4.23Å; I421-K425 VanDerWaalsContact O-CB 3.29Å; I421-K425 WeakPolarHBondContact O-CB 3.35Å; I421-K425 WeakPolarHBondContact O-CG 3.26Å; I421-K425 PolarHBondContact O-N 2.76Å; N422-K425 PolarHBondContact O-N 2.7Å; K425-V429 WeakPolarHBondContact O-CB 3.43Å; K425-V429 VanDerWaalsContact O-CG2 3.23Å; K425-V429 WeakPolarHBondContact O-CG2 3.3Å; K425-V429 PolarHBondContact O-N 2.86Å
426	R	38.1	Very low	39.6	Very low	187 Å²	187	111.1 Å²	111.1	71%	0.706	60%	0.597	S	S	*	*	H	α-helix	trans	-67.2	-50.1	171.7	-82.4	-177.9	167.7	-142.9	-3.8	110.6	N422 N423 A428 V429 S430	N422-R426 WeakPolarHBondContact O-CG 3.5Å; N422-R426 PolarHBondContact O-N 2.94Å; N423-R426 WeakPolarHBondContact O-CB 3.49Å; N423-R426 PolarHBondContact O-N 2.95Å; N423-R426 VanDerWaalsContact O-N 3.16Å; R426-A428 VanDerWaalsContact C-N 3.32Å; R426-A428 PolarHBondContact O-N 3.08Å; R426-V429 CarbonylContact O-C 3.57Å; R426-V429 WeakPolarHBondContact O-CA 3.39Å; R426-V429 PolarHBondContact O-N 3.27Å; R426-S430 PolarHBondContact O-N 3.35Å; R426-S430 PolarHBondContact O-OG 2.9Å; R426-S430 VanDerWaalsContact O-OG 3.08Å
427	F	36.2	Very low	39.2	Very low	174 Å²	174	115.1 Å²	115.1	76%	0.763	61%	0.606	S	S	*	*	H	α-helix	trans	-58.4	-40.7	174.7	-92.9	-92.2	0	0	0	112.8	N423 T424 V429 S430	N423-F427 PolarHBondContact O-N 3.45Å; T424-F427 PolarHBondContact O-N 2.78Å; F427-V429 PolarHBondContact O-N 3.25Å; F427-S430 PolarHBondContact O-N 3.38Å
428	A	36.4	Very low	38.5	Very low	88 Å²	88	118.6 Å²	118.6	73%	0.727	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	0.8	174.7	0	0	0	0	0	114.8	T424 R426	T424-A428 WeakPolarHBondContact O-CB 3.42Å; T424-A428 PolarHBondContact O-N 2.84Å; R426-A428 VanDerWaalsContact C-N 3.32Å; R426-A428 PolarHBondContact O-N 3.08Å
429	V	33.2	Very low	37.8	Very low	117 Å²	117	122.5 Å²	122.5	71%	0.709	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	-3	173.1	173	0	0	0	0	111.2	K425 R426 F427 I431	K425-V429 WeakPolarHBondContact O-CB 3.43Å; K425-V429 VanDerWaalsContact O-CG2 3.23Å; K425-V429 WeakPolarHBondContact O-CG2 3.3Å; K425-V429 PolarHBondContact O-N 2.86Å; R426-V429 CarbonylContact O-C 3.57Å; R426-V429 WeakPolarHBondContact O-CA 3.39Å; R426-V429 PolarHBondContact O-N 3.27Å; F427-V429 PolarHBondContact O-N 3.25Å; V429-I431 PolarHBondContact O-N 3.41Å
430	S	29.4	Very low	36.9	Very low	87 Å²	87	121.9 Å²	121.9	61%	0.608	65%	0.653	S	S	*	*			trans	-99.9	42.7	-179.8	-66.7	0	0	0	0	113.7	R426 F427	R426-S430 PolarHBondContact O-N 3.35Å; R426-S430 PolarHBondContact O-OG 2.9Å; R426-S430 VanDerWaalsContact O-OG 3.08Å; F427-S430 PolarHBondContact O-N 3.38Å
431	I	31.3	Very low	36.2	Very low	152 Å²	152	123.6 Å²	123.6	78%	0.779	67%	0.668	S	S	*	*			trans	-111	92.9	148.6	-60.1	-179.4	0	0	0	106.2	V429 I433	V429-I431 PolarHBondContact O-N 3.41Å; I431-I433 PolarHBondContact O-N 3.5Å; I431-I433 VanDerWaalsContact O-N 3.07Å
432	E	30.5	Very low	35.4	Very low	182 Å²	182	128.9 Å²	128.9	85%	0.85	69%	0.691	S	S	*	*			trans	-64.8	107.3	169.8	-67.2	-178	154.7	0	0	108.1	P434	E432-P434 WeakPolarHBondContact O-CD 3.44Å
433	I	32	Very low	34.8	Very low	135 Å²	135	128.5 Å²	128.5	69%	0.692	71%	0.705	S	S	*	*			trans	-62.8	118.1	162.2	-58.6	173.5	0	0	0	105.4	I431 D435	I431-I433 PolarHBondContact O-N 3.5Å; I431-I433 VanDerWaalsContact O-N 3.07Å; I433-D435 PolarHBondContact O-N 2.87Å
434	P	35	Very low	34.1	Very low	82 Å²	82	129.3 Å²	129.3	53%	0.532	72%	0.717	S	S	.	*			trans	-61.9	136.1	177.8	25.9	-33.6	0	0	0	109.2	E432 S436	E432-P434 WeakPolarHBondContact O-CD 3.44Å; P434-S436 PolarHBondContact O-N 2.86Å
435	D	33.2	Very low	33.6	Very low	145 Å²	145	132.6 Å²	132.6	78%	0.775	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-60.1	2.7	-174.5	-92	-56.6	0	0	0	115.2	I433	I433-D435 PolarHBondContact O-N 2.87Å
436	S	36.5	Very low	33.1	Very low	92 Å²	92	130 Å²	130	64%	0.643	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-83.3	-10.5	-176.5	51.8	0	0	0	0	115.8	P434	P434-S436 PolarHBondContact O-N 2.86Å
437	F	35.5	Very low	32.7	Very low	172 Å²	172	129.5 Å²	129.5	75%	0.754	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-100.9	17.3	178.3	-79.4	-79	0	0	0	115	V439	F437-V439 PolarHBondContact O-N 3.01Å
438	K	33.1	Very low	32.7	Very low	164 Å²	164	127.9 Å²	127.9	71%	0.713	74%	0.744	S	S	*	*			trans	-80.3	92.6	176.4	-157.2	172.5	-164	164.4	0	110.5	S440	K438-S440 PolarHBondContact O-N 2.86Å
439	V	34.1	Very low	32.5	Very low	138 Å²	138	130.3 Å²	130.3	84%	0.836	74%	0.744	S	S	*	*			trans	-68.5	103.6	178	179.7	0	0	0	0	110.3	F437	F437-V439 PolarHBondContact O-N 3.01Å
440	S	28	Very low	32.5	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	74%	0.742	S	S	*	*			trans	-68.1	130.3	177.3	-54.9	0	0	0	0	112.4	K438	K438-S440 PolarHBondContact O-N 2.86Å
441	S	32.4	Very low	32.8	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	75%	0.753	S	S	*	*			trans	-141.7	101.3	162.8	-174.7	0	0	0	0	109.2
442	E	29.8	Very low	33	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	75%	0.749	S	S	*	*			trans	-85.5	168.4	176.4	-59.1	178	126.9	0	0	111.7
443	G	32.4	Very low	33.2	Very low	67 Å²	67	132 Å²	132	69%	0.691	74%	0.741	S	S	*	*			trans	116.2	86.7	-178.7	0	0	0	0	0	111.4
444	S	31.1	Very low	33.3	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	74%	0.743	S	S	*	*				80	139.4	87.8	90.7	0	0	0	0	112.4
445	D	34.5	Very low	33.2	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	76%	0.757	S	S	*	*			cis	-144.9	166.3	17.6	-73.3	-81.9	0	0	0	113
446	G	32.4	Very low	33.1	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	76%	0.757	S	S	*	*			trans	76.2	92	146	0	0	0	0	0	118
447	E	30.8	Very low	33.1	Very low	177 Å²	177	139.7 Å²	139.7	83%	0.827	77%	0.767	S	S	*	*				89.8	147.9	56.8	-162.7	-176.5	157	0	0	114.2
448	L	34.4	Very low	32.9	Very low	139 Å²	139	135.9 Å²	135.9	73%	0.728	76%	0.762	S	S	*	*			trans	85.6	124	174.9	-48.2	175.4	0	0	0	116.9
449	L	33.8	Very low	33	Very low	139 Å²	139	135.7 Å²	135.7	73%	0.728	77%	0.767	S	S	*	*			cis	-168.1	118.2	-17.1	-128.4	-177	0	0	0	111.5
450	S	33	Very low	33	Very low	95 Å²	95	134.1 Å²	134.1	66%	0.664	76%	0.762	S	S	*	*			trans	59.4	169.3	146.8	78.1	0	0	0	0	120.3
451	R	34.7	Very low	33.2	Very low	223 Å²	223	133.7 Å²	133.7	84%	0.842	76%	0.759	S	S	*	*			cis	-159.7	144.7	3.8	-142.4	168.4	-176.6	156.2	-1.7	106
452	V	36.1	Very low	33.3	Very low	114 Å²	114	132.6 Å²	132.6	69%	0.691	75%	0.751	S	S	*	*				179	123.5	76	165	0	0	0	0	107.9
453	E	34.9	Very low	33.6	Very low	143 Å²	143	128.9 Å²	128.9	67%	0.668	75%	0.746	S	S	*	*			trans	50.3	156	131.2	-106.7	172.7	115.7	0	0	123.2
454	R	33	Very low	33.7	Very low	199 Å²	199	130.8 Å²	130.8	75%	0.751	75%	0.749	S	S	*	*			cis	-160	125.1	19.2	172.7	170.6	-81.3	-161	-4.6	116
455	S	34.7	Very low	33.8	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	75%	0.746	S	S	*	*			trans	46.1	159.5	147	69.6	0	0	0	0	127.2
456	Q	30.1	Very low	33.8	Very low	168 Å²	168	128.6 Å²	128.6	79%	0.785	75%	0.746	S	S	*	*			trans	-101.1	-175.3	-176.3	-55.2	175.1	-58	0	0	115.5
457	P	35.7	Very low	33.9	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	75%	0.749	S	S	*	*				-136.3	-172.8	108.2	41.6	-32.4	0	0	0	116.1
458	S	32.1	Very low	34.1	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	74%	0.744	S	S	*	*			trans	-167.1	164.1	-174.9	59.5	0	0	0	0	112.8
459	I	34.6	Very low	33.9	Very low	161 Å²	161	125.4 Å²	125.4	83%	0.826	74%	0.744	S	S	*	*			trans	170.5	143.5	155	-91.1	153.6	0	0	0	115.2
460	S	34	Very low	33.9	Very low	104 Å²	104	122.3 Å²	122.3	73%	0.727	73%	0.734	S	S	*	*			trans	4.5	166.4	160.9	70.9	0	0	0	0	125.8
461	S	33	Very low	33.9	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	74%	0.743	S	S	*	*			cis	-177.3	165.6	-23.6	60.3	0	0	0	0	114
462	S	35	Very low	33.7	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	74%	0.739	S	S	*	*			trans	68.8	121.5	144.6	56.7	0	0	0	0	126.1
463	S	34.4	Very low	33.5	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	74%	0.74	S	S	*	*			trans	57.2	150.6	141.3	53.3	0	0	0	0	122.5
464	S	34.6	Very low	33.2	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	75%	0.746	S	S	*	*			cis	-169.7	-157.6	-13.1	55.6	0	0	0	0	108.4
465	S	34.3	Very low	33.9	Very low	94 Å²	94	123.3 Å²	123.3	66%	0.657	74%	0.739	S	S	*	*			cis	-175.3	164.1	0.7	23.8	0	0	0	0	111.9
466	S	35	Very low	33.9	Very low	116 Å²	116	125.1 Å²	125.1	81%	0.811	74%	0.74	S	S	*	*			trans	74.4	151.2	159.9	76.3	0	0	0	0	120.6
467	S	34	Very low	33.9	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	74%	0.739	S	S	*	*			cis	-179.6	172.9	-21.2	62.6	0	0	0	0	109.7
468	S	34	Very low	33.7	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	74%	0.735	S	S	*	*			cis	-170.9	178.5	-35	66.5	0	0	0	0	111.8
469	S	32	Very low	33.6	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	74%	0.743	S	S	*	*			trans	77	152	163.2	-83	0	0	0	0	121.4
470	S	33.3	Very low	33.3	Very low	73 Å²	73	130.8 Å²	130.8	51%	0.51	74%	0.744	S	S	.	*			cis	-172.7	133.7	-10.5	-104.6	0	0	0	0	116.5
471	R	31.7	Very low	33.1	Very low	226 Å²	226	131.1 Å²	131.1	85%	0.853	75%	0.746	S	S	*	*			trans	70.5	167	147.5	-49.6	158.1	-138.9	-180	8.4	117.9
472	K	32	Very low	32.9	Very low	175 Å²	175	133.4 Å²	133.4	76%	0.761	75%	0.747	S	S	*	*			cis	-162.4	177.9	-6.8	-143	-167.1	168.3	-166.5	0	112.6
473	I	30.8	Very low	32.7	Very low	141 Å²	141	137.3 Å²	137.3	72%	0.723	76%	0.755	S	S	*	*			trans	83.4	176.7	151.4	-88	163.7	0	0	0	119.9
474	M	30.1	Very low	32.5	Very low	159 Å²	159	138.1 Å²	138.1	78%	0.783	75%	0.75	S	S	*	*				-159.5	174.6	-89.1	-92.9	164.4	74.5	0	0	113.4
475	P	47.5	Very low	32.2	Very low	94 Å²	94	139.9 Å²	139.9	61%	0.61	75%	0.751	S	S	*	*			trans	-132.4	178.7	-155.9	45.9	-33	0	0	0	119.7
476	D	34.6	Very low	32	Very low	154 Å²	154	141.2 Å²	141.2	82%	0.824	76%	0.756	S	S	*	*			trans	172.4	176	147.5	-101.4	2.7	0	0	0	111.4
477	Y	29.9	Very low	31.8	Very low	198 Å²	198	140.5 Å²	140.5	78%	0.776	75%	0.751	S	S	*	*			cis	-173.7	-174.8	-30.9	179.5	-133.4	0	0	0	111.4
478	I	31.2	Very low	31.7	Very low	147 Å²	147	141.4 Å²	141.4	75%	0.754	75%	0.751	S	S	*	*			trans	87.4	163.5	169.1	-54.7	-173.6	0	0	0	118.7
479	K	29.3	Very low	31.5	Very low	186 Å²	186	140.5 Å²	140.5	81%	0.809	74%	0.741	S	S	*	*			trans	-163.3	159.2	-143.9	173.4	-174.3	-177.3	-179.4	0	112.2
480	V	28.7	Very low	31.4	Very low	141 Å²	141	140.9 Å²	140.9	86%	0.855	74%	0.735	S	S	*	*			trans	170.6	145.8	142.8	147.9	0	0	0	0	117.3
481	S	29.3	Very low	31.2	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	75%	0.747	S	S	*	*			trans	69.3	129.8	158.3	-146.8	0	0	0	0	127.1
482	M	29.9	Very low	31.2	Very low	148 Å²	148	145.8 Å²	145.8	73%	0.729	75%	0.75	S	S	*	*			trans	-60.4	157.3	171.8	-57.1	154.1	68	0	0	118.3
483	E	31	Very low	31	Very low	181 Å²	181	142.7 Å²	142.7	85%	0.846	74%	0.737	S	S	*	*				-169.1	-174.7	104.3	-109.8	-169	-167.9	0	0	114.8
484	N	29.2	Very low	31.2	Very low	130 Å²	130	144 Å²	144	70%	0.695	74%	0.739	S	S	*	*			trans	-90.4	146.5	-159.3	-61.5	-67.6	0	0	0	116.8
485	N	29.5	Very low	31.1	Very low	145 Å²	145	143.1 Å²	143.1	78%	0.775	74%	0.738	S	S	*	*				169.9	145.2	108.8	-92.5	-51.6	0	0	0	117.9
486	T	30.4	Very low	30.3	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	74%	0.739	S	S	*	*			trans	44.2	119.6	146.8	60.9	0	0	0	0	124.6
487	S	29.6	Very low	30	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	72%	0.718	S	S	*	*				60.3	112.1	125.6	179.7	0	0	0	0	122
488	V	31.9	Very low	30.1	Very low	130 Å²	130	132.5 Å²	132.5	79%	0.788	69%	0.694	S	S	*	*			trans	-134.4	135.4	144.8	-179.4	0	0	0	0	109.8	D490	V488-D490 HydrophobicContact CG1-CB 4.28Å
489	T	29.3	Very low	30.2	Very low	86 Å²	86	127.4 Å²	127.4	53%	0.528	67%	0.67	S	S	.	*			trans	-132.1	107.9	165.8	59	0	0	0	0	108.3	K971	T489-K971 PolarHBondContact OG1-NZ 3.19Å
490	D	29.9	Very low	30.2	Very low	110 Å²	110	120.8 Å²	120.8	59%	0.588	65%	0.647	S	S	*	*			trans	-137.2	92.6	-178.1	-134.1	-14.3	0	0	0	109.9	V488	V488-D490 HydrophobicContact CG1-CB 4.28Å
491	Y	29.9	Very low	30.3	Very low	191 Å²	191	115.7 Å²	115.7	75%	0.749	62%	0.619	S	S	*	*			trans	-144.4	146.5	173.1	-99.6	-96.7	0	0	0	107.3
492	F	31	Very low	30.5	Very low	212 Å²	212	114.3 Å²	114.3	93%	0.93	60%	0.603	S	S	*	*			trans	72.3	64.2	-171.8	-54.1	-78	0	0	0	116.6
493	K	29.3	Very low	30.8	Very low	110 Å²	110	112.3 Å²	112.3	48%	0.478	60%	0.599	S	S	.	*			trans	-133.4	62.4	160.5	-164	-178.6	176.2	179	0	112.9	V975 N976	K493-V975 HydrophobicContact CD-CG1 4.31Å; K493-N976 PolarHBondContact NZ-O 3.05Å
494	H	33.8	Very low	30.8	Very low	168 Å²	168	107 Å²	107	78%	0.778	59%	0.587	S	S	*	*			trans	-141.3	104.2	166.3	-77.1	108	0	0	0	110	V496	H494-V496 VanDerWaalsContact C-N 3.26Å; H494-V496 HydrophobicContact CB-CG2 4.22Å; H494-V496 PolarHBondContact O-N 3.05Å
495	D	27.9	Very low	31	Very low	140 Å²	140	105.4 Å²	105.4	75%	0.749	59%	0.585	S	S	*	*			trans	-75.1	79.1	169.2	-78.1	-62.7	0	0	0	109.8	V497	D495-V497 PolarHBondContact O-N 3.16Å
496	V	31.6	Very low	31.1	Very low	106 Å²	106	105 Å²	105	64%	0.642	58%	0.583	S	S	*	*			trans	-71.7	99.6	174.6	-176.8	0	0	0	0	108.9	H494 M498	H494-V496 VanDerWaalsContact C-N 3.26Å; H494-V496 HydrophobicContact CB-CG2 4.22Å; H494-V496 PolarHBondContact O-N 3.05Å; V496-M498 PolarHBondContact O-N 3.46Å
497	V	28.7	Very low	31.3	Very low	61 Å²	61	110.4 Å²	110.4	37%	0.37	59%	0.59	S	S	.	*			trans	-68.8	121.8	166.4	-171.6	0	0	0	0	107.5	V158 L162 D495 T499	V158-V497 HydrophobicContact CG1-CB 4.46Å; V158-V497 HydrophobicContact CG1-CG2 3.61Å; L162-V497 HydrophobicContact CD1-CG2 4.43Å; D495-V497 PolarHBondContact O-N 3.16Å; V497-T499 HydrophobicContact CG1-CG2 3.92Å; V497-T499 PolarHBondContact O-N 3.29Å
498	M	31.1	Very low	31.6	Very low	57 Å²	57	114.4 Å²	114.4	28%	0.281	60%	0.598	S	S	.	*			trans	-79.3	59	-176.9	-72.3	-80.4	-82.5	0	0	111.6	V496 S500 A578 Q581	V496-M498 PolarHBondContact O-N 3.46Å; M498-S500 PolarHBondContact O-N 2.83Å; M498-A578 HydrophobicContact CE-CB 4.2Å; M498-Q581 HydrophobicContact CE-CB 4.2Å
499	T	33	Very low	31.5	Very low	40 Å²	40	118.5 Å²	118.5	25%	0.245	61%	0.605	C	S	.	*			trans	-73.9	107.6	168.4	47	0	0	0	0	108.6	N143 V497 A501	N143-T499 HydrophobicContact CB-CG2 4.01Å; N143-T499 VanDerWaalsContact CG-CG2 3.42Å; N143-T499 VanDerWaalsContact OD1-CB 3.25Å; N143-T499 WeakPolarHBondContact OD1-CB 3.44Å; N143-T499 WeakPolarHBondContact OD1-CG2 3.42Å; V497-T499 HydrophobicContact CG1-CG2 3.92Å; V497-T499 PolarHBondContact O-N 3.29Å; T499-A501 VanDerWaalsContact C-N 3.26Å; T499-A501 PolarHBondContact O-N 3.45Å
500	S	29.2	Very low	31.6	Very low	46 Å²	46	122 Å²	122	32%	0.322	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	65.7	-171.3	62.4	0	0	0	0	112.7	M498 R631	M498-S500 PolarHBondContact O-N 2.83Å; S500-R631 PolarHBondContact OG-NH1 2.89Å
501	A	32.3	Very low	31.7	Very low	34 Å²	34	124.7 Å²	124.7	28%	0.281	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.3	-49.9	172.4	0	0	0	0	0	111.2	T499 V503	T499-A501 VanDerWaalsContact C-N 3.26Å; T499-A501 PolarHBondContact O-N 3.45Å; A501-V503 PolarHBondContact O-N 3.1Å
502	D	32.3	Very low	31.7	Very low	82 Å²	82	125 Å²	125	44%	0.439	64%	0.637	S	S	.	*	S	Bend	trans	-87	-6.3	-155.1	-43	-55.3	0	0	0	115	A504	D502-A504 PolarHBondContact O-N 2.93Å
503	V	36.1	Very low	31.7	Very low	106 Å²	106	122.4 Å²	122.4	64%	0.642	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	50.4	175.7	-162.2	0	0	0	0	111	A501	A501-V503 PolarHBondContact O-N 3.1Å
504	A	30.8	Very low	31.8	Very low	71 Å²	71	125.9 Å²	125.9	59%	0.587	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.1	7.1	-173.3	0	0	0	0	0	114.5	D502	D502-A504 PolarHBondContact O-N 2.93Å
505	S	33.7	Very low	31.8	Very low	95 Å²	95	127 Å²	127	66%	0.664	66%	0.66	S	S	*	*			trans	-147.2	63.8	179.3	53.2	0	0	0	0	113.2	R507	S505-R507 VanDerWaalsContact C-N 3.31Å; S505-R507 PolarHBondContact O-N 2.85Å
506	D	32.4	Very low	32.1	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	82.7	172.7	-65.9	-48.3	0	0	0	111.6
507	R	34.9	Very low	32.4	Very low	234 Å²	234	133.4 Å²	133.4	88%	0.883	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.1	-7.4	174.3	-130.9	175.9	-177.2	157.7	6	120	S505	S505-R507 VanDerWaalsContact C-N 3.31Å; S505-R507 PolarHBondContact O-N 2.85Å
508	E	34.9	Very low	32.5	Very low	186 Å²	186	134.5 Å²	134.5	87%	0.869	70%	0.701	S	S	*	*	S	Bend	trans	-113.3	-4.1	-172.2	-69.5	-170	127.3	0	0	116.5	L510	E508-L510 VanDerWaalsContact C-N 3.3Å; E508-L510 PolarHBondContact O-N 2.8Å
509	F	30	Very low	32.7	Very low	215 Å²	215	135.9 Å²	135.9	94%	0.943	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	19.8	-179.8	-154.3	-104.1	0	0	0	115.2
510	L	31.7	Very low	32.7	Very low	161 Å²	161	139.3 Å²	139.3	84%	0.843	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.4	30.8	-171.8	-126.3	171.2	0	0	0	114.9	E508	E508-L510 VanDerWaalsContact C-N 3.3Å; E508-L510 PolarHBondContact O-N 2.8Å
511	I	32.2	Very low	32.9	Very low	166 Å²	166	140.9 Å²	140.9	85%	0.851	79%	0.786	S	S	*	*			trans	-132.8	74.8	167.9	-48.5	-179.6	0	0	0	110.6
512	K	28.6	Very low	33	Very low	196 Å²	196	145.3 Å²	145.3	85%	0.852	82%	0.815	S	S	*	*	S	Bend	trans	-156.3	130	157.5	-137.7	164.6	-174.5	170.3	0	109.8
513	N	30.6	Very low	33.2	Very low	158 Å²	158	145 Å²	145	85%	0.845	82%	0.823	S	S	*	*	S	Bend	trans	100.8	42.1	-172.7	-55.5	-5.1	0	0	0	116.8
514	M	32.6	Very low	33.1	Very low	184 Å²	184	147.4 Å²	147.4	91%	0.906	83%	0.833	S	S	*	*			trans	-141.1	49.3	164.1	-73.7	-157.4	75.2	0	0	112.4
515	E	34.2	Very low	33.2	Very low	192 Å²	192	148.8 Å²	148.8	90%	0.897	84%	0.838	S	S	*	*			trans	-143.4	59.1	177.4	-155.3	163.3	-139.3	0	0	111.9
516	E	32.7	Very low	33.1	Very low	187 Å²	187	152.4 Å²	152.4	87%	0.874	84%	0.844	S	S	*	*			trans	-167.2	116.9	147.7	-113.1	170.5	-170.4	0	0	110.1
517	H	38.3	Very low	33.2	Very low	192 Å²	192	152.7 Å²	152.7	89%	0.889	84%	0.841	S	S	*	*			trans	-137.5	94.9	175.7	-94.6	18.5	0	0	0	109.5
518	G	31.9	Very low	33.1	Very low	85 Å²	85	148.5 Å²	148.5	88%	0.876	84%	0.836	S	S	*	*			trans	-150.5	96.6	176.5	0	0	0	0	0	111.3
519	G	33.6	Very low	32.9	Very low	85 Å²	85	147 Å²	147	88%	0.876	83%	0.834	S	S	*	*			trans	131.3	139	179.7	0	0	0	0	0	112.6
520	A	34.7	Very low	32.9	Very low	112 Å²	112	141.8 Å²	141.8	93%	0.926	82%	0.82	S	S	*	*			trans	-128.4	147.8	-172.8	0	0	0	0	0	112.6
521	G	33	Very low	32.8	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	82%	0.816	S	S	*	*			trans	177.4	139.2	174.1	0	0	0	0	0	110.3
522	S	34.7	Very low	32.8	Very low	126 Å²	126	137.7 Å²	137.7	88%	0.881	81%	0.811	S	S	*	*			trans	-139.8	162.1	-163.5	-171.1	0	0	0	0	115
523	A	35.1	Very low	32.9	Very low	75 Å²	75	133.7 Å²	133.7	62%	0.62	80%	0.804	S	S	*	*			trans	104.3	110	152.2	0	0	0	0	0	120
524	N	34.2	Very low	32.9	Very low	157 Å²	157	130 Å²	130	84%	0.84	80%	0.795	S	S	*	*			trans	54.9	115.8	131.5	-56.1	-1.9	0	0	0	121.2
525	S	33.4	Very low	33.1	Very low	101 Å²	101	127.2 Å²	127.2	71%	0.706	78%	0.784	S	S	*	*				-166.1	161.9	99.4	-162.8	0	0	0	0	112
526	H	31.6	Very low	32.9	Very low	171 Å²	171	121.8 Å²	121.8	79%	0.792	77%	0.772	S	S	*	*			trans	-76.3	141.6	178.5	-72.8	-97.6	0	0	0	113.1
527	H	33.6	Very low	33.1	Very low	144 Å²	144	121.2 Å²	121.2	67%	0.667	76%	0.763	S	S	*	*				-160.4	159.1	125.6	-118.4	-84.1	0	0	0	111	L42	L42-H527 HydrophobicContact CD1-CB 3.81Å
528	N	34.3	Very low	33.2	Very low	146 Å²	146	115.5 Å²	115.5	78%	0.781	75%	0.745	S	S	*	*			trans	-72.9	142.2	178.5	-50.3	-28.5	0	0	0	111.3
529	D	29	Very low	33.7	Very low	154 Å²	154	117.7 Å²	117.7	82%	0.824	73%	0.732	S	S	*	*				-156.7	162	123.8	-129.8	-39.4	0	0	0	114.8
530	T	30.5	Very low	34.5	Very low	106 Å²	106	119.8 Å²	119.8	65%	0.65	73%	0.728	S	S	*	*			trans	-44.9	149.4	-173.4	-55	0	0	0	0	119.1
531	T	29.2	Very low	35.4	Very low	125 Å²	125	117.7 Å²	117.7	77%	0.767	70%	0.7	S	S	*	*			trans	70	155.3	165.3	34.2	0	0	0	0	117.6
532	P	33.7	Very low	36.5	Very low	115 Å²	115	118.4 Å²	118.4	75%	0.747	69%	0.686	S	S	*	*			cis	-118.3	173.2	23.4	42.4	-31.4	0	0	0	117.7	A534	P532-A534 PolarHBondContact O-N 3.19Å
533	T	30.8	Very low	37.6	Very low	113 Å²	113	116.8 Å²	116.8	69%	0.693	67%	0.666	S	S	*	*			trans	-53.1	121.6	171.3	47.3	0	0	0	0	113.3
534	A	30.3	Very low	39.1	Very low	79 Å²	79	116 Å²	116	65%	0.653	65%	0.652	S	S	*	*			trans	-128.5	128.6	168.8	0	0	0	0	0	110.9	P532 A536	P532-A534 PolarHBondContact O-N 3.19Å; A534-A536 PolarHBondContact O-N 3.24Å
535	D	35.5	Very low	40.8	Very low	126 Å²	126	111.1 Å²	111.1	67%	0.674	63%	0.629	S	S	*	*			trans	51.5	31	146.4	-53.4	-21.8	0	0	0	121	Y537 S538	D535-Y537 PolarHBondContact O-N 3.08Å; D535-S538 PolarHBondContact O-N 3.29Å
536	A	31.5	Very low	42.7	Very low	79 Å²	79	111.6 Å²	111.6	65%	0.653	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-4.5	166.9	0	0	0	0	0	115.4	A534	A534-A536 PolarHBondContact O-N 3.24Å
537	Y	36.1	Very low	44.9	Very low	174 Å²	174	106 Å²	106	68%	0.682	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-16	175	-61.9	-76.6	0	0	0	113.8	D535 R577	D535-Y537 PolarHBondContact O-N 3.08Å; Y537-R577 PolarHBondContact O-NH1 3.2Å
538	S	40.6	Very low	47.4	Very low	72 Å²	72	99.3 Å²	99.3	50%	0.503	57%	0.569	S	S	.	*			trans	-103.1	8	-171.3	-151.2	0	0	0	0	114.2	D535 T540	D535-S538 PolarHBondContact O-N 3.29Å; S538-T540 PolarHBondContact O-N 3.47Å
539	E	43.2	Very low	49.6	Very low	132 Å²	132	98.7 Å²	98.7	62%	0.617	56%	0.556	S	S	*	*			trans	-60.6	114	175.4	-73.4	-160.2	146.7	0	0	111.5	I541 R577	E539-I541 PolarHBondContact O-N 3.1Å; E539-R577 PolarHBondContact O-NH2 3.34Å
540	T	48.8	Very low	52	Low	129 Å²	129	95.6 Å²	95.6	79%	0.791	55%	0.547	S	S	*	.			trans	-70.7	116.1	170.9	50.9	0	0	0	0	109	S538 D542	S538-T540 PolarHBondContact O-N 3.47Å; T540-D542 PolarHBondContact O-N 2.57Å
541	I	55.1	Low	54	Low	67 Å²	67	92.1 Å²	92.1	34%	0.344	53%	0.529	S	S	.	.			trans	-74.2	103.7	-175.7	-58.1	144.3	0	0	0	108.2	E539 L543 P570 S573	E539-I541 PolarHBondContact O-N 3.1Å; I541-L543 PolarHBondContact O-N 3.23Å; I541-L543 VanDerWaalsContact O-N 3.08Å; I541-P570 HydrophobicContact CD1-CB 4.46Å; I541-S573 WeakPolarHBondContact CD1-OG 3.47Å
542	D	54.5	Low	56	Low	96 Å²	96	93 Å²	93	51%	0.513	53%	0.527	S	S	.	.			trans	-56.7	116.5	176.2	171.8	20.4	0	0	0	110.3	T540 N544 N547	T540-D542 PolarHBondContact O-N 2.57Å; D542-N544 PolarHBondContact O-N 3.04Å; D542-N544 VanDerWaalsContact O-N 3.17Å; D542-N544 VanDerWaalsContact OD1-CB 3.3Å; D542-N544 WeakPolarHBondContact OD1-CB 3.31Å; D542-N544 PolarHBondContact OD1-N 2.91Å; D542-N544 VanDerWaalsContact OD2-CB 3.26Å; D542-N544 WeakPolarHBondContact OD2-CB 3.46Å; D542-N547 VanDerWaalsContact CB-ND2 3.33Å; D542-N547 WeakPolarHBondContact CB-ND2 3.48Å; D542-N547 PolarHBondContact O-ND2 3.34Å; D542-N547 PolarHBondContact OD2-ND2 2.81Å
543	L	59.1	Low	57.9	Low	91 Å²	91	88.6 Å²	88.6	48%	0.476	50%	0.503	S	S	.	.			trans	-72.4	3.7	-177.2	-77	172.2	0	0	0	113.9	I541 P545 T566 P570	I541-L543 PolarHBondContact O-N 3.23Å; I541-L543 VanDerWaalsContact O-N 3.08Å; L543-P545 WeakPolarHBondContact O-CD 3.49Å; L543-T566 WeakPolarHBondContact CD2-O 3.29Å; L543-T566 VanDerWaalsContact O-CG2 3.25Å; L543-T566 WeakPolarHBondContact O-CG2 3.17Å; L543-P570 HydrophobicContact CD2-CG 3.62Å; L543-P570 HydrophobicContact CG-CG 4.42Å
544	N	65.6	Low	60.3	Low	60 Å²	60	84.2 Å²	84.2	32%	0.321	48%	0.475	S	S	.	.			trans	-57.1	118.7	172	-176.2	-11.1	0	0	0	111.3	D542 N546 N547	D542-N544 PolarHBondContact O-N 3.04Å; D542-N544 VanDerWaalsContact O-N 3.17Å; D542-N544 VanDerWaalsContact OD1-CB 3.3Å; D542-N544 WeakPolarHBondContact OD1-CB 3.31Å; D542-N544 PolarHBondContact OD1-N 2.91Å; D542-N544 VanDerWaalsContact OD2-CB 3.26Å; D542-N544 WeakPolarHBondContact OD2-CB 3.46Å; N544-N546 PolarHBondContact O-N 3.15Å; N544-N546 WeakPolarHBondContact OD1-CB 3.43Å; N544-N546 PolarHBondContact OD1-N 2.84Å; N544-N546 VanDerWaalsContact OD1-N 3.09Å; N544-N547 WeakPolarHBondContact O-CB 3.29Å; N544-N547 PolarHBondContact O-N 2.99Å
545	P	71.2	Confident	62.9	Low	54 Å²	54	81.3 Å²	81.3	35%	0.351	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.7	-177.8	26.1	-35	0	0	0	113.6	L543 N547 C548	L543-P545 WeakPolarHBondContact O-CD 3.49Å; P545-N547 VanDerWaalsContact C-N 3.29Å; P545-N547 PolarHBondContact O-N 2.66Å; P545-C548 VanDerWaalsContact O-CB 3.29Å; P545-C548 WeakPolarHBondContact O-CB 3.05Å; P545-C548 PolarHBondContact O-N 2.75Å
546	N	72.2	Confident	65.4	Low	110 Å²	110	80.7 Å²	80.7	59%	0.588	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.6	174.2	-63.6	-18.5	0	0	0	111.6	N544 C548 Y549	N544-N546 PolarHBondContact O-N 3.15Å; N544-N546 WeakPolarHBondContact OD1-CB 3.43Å; N544-N546 PolarHBondContact OD1-N 2.84Å; N544-N546 VanDerWaalsContact OD1-N 3.09Å; N546-C548 PolarHBondContact O-N 2.86Å; N546-C548 VanDerWaalsContact O-N 3.16Å; N546-Y549 PolarHBondContact O-N 2.85Å
547	N	79.2	Confident	68	Low	55 Å²	55	78 Å²	78	29%	0.294	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-22.4	-179.1	-60.4	-7.8	0	0	0	112.4	D542 N544 P545 Y549 S550 A551	D542-N547 VanDerWaalsContact CB-ND2 3.33Å; D542-N547 WeakPolarHBondContact CB-ND2 3.48Å; D542-N547 PolarHBondContact O-ND2 3.34Å; D542-N547 PolarHBondContact OD2-ND2 2.81Å; N544-N547 WeakPolarHBondContact O-CB 3.29Å; N544-N547 PolarHBondContact O-N 2.99Å; P545-N547 VanDerWaalsContact C-N 3.29Å; P545-N547 PolarHBondContact O-N 2.66Å; N547-Y549 PolarHBondContact O-N 3.08Å; N547-Y549 VanDerWaalsContact O-N 3.17Å; N547-S550 PolarHBondContact O-N 2.93Å; N547-S550 VanDerWaalsContact O-N 3.13Å; N547-A551 WeakPolarHBondContact O-CB 3.34Å; N547-A551 PolarHBondContact O-N 3.22Å
548	C	84.3	Confident	70.6	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.02	39%	0.391	C	S	.	.	H	α-helix	trans	-55.9	-28.1	170.5	-67.6	0	0	0	0	113.4	P545 N546 K559 C562 V563	P545-C548 VanDerWaalsContact O-CB 3.29Å; P545-C548 WeakPolarHBondContact O-CB 3.05Å; P545-C548 PolarHBondContact O-N 2.75Å; N546-C548 PolarHBondContact O-N 2.86Å; N546-C548 VanDerWaalsContact O-N 3.16Å; C548-K559 WeakPolarHBondContact O-CD 3.41Å; C548-K559 VanDerWaalsContact O-CG 3.24Å; C548-K559 WeakPolarHBondContact O-CG 3.49Å; C548-C562 VanDerWaalsContact CA-SG 3.54Å; C548-C562 HydrophobicContact CB-CB 3.62Å; C548-C562 WeakPolarHBondContact CB-SG 3.32Å; C548-C562 WeakPolarHBondContact SG-CB 3.41Å; C548-C562 CovalentContact SG-SG 2.03Å; C548-C562 PolarHBondContact SG-SG 3.35Å; C548-V563 HydrophobicContact CB-CG2 3.59Å; C548-V563 PolarHBondContact SG-N 2.93Å
549	Y	82.4	Confident	72.9	Confident	132 Å²	132	68.1 Å²	68.1	52%	0.518	38%	0.375	S	S	.	.	H	α-helix	trans	-85.9	-34.8	175.2	-68.8	-72.2	0	0	0	112.8	N546 N547 A551 K559 V563	N546-Y549 PolarHBondContact O-N 2.85Å; N547-Y549 PolarHBondContact O-N 3.08Å; N547-Y549 VanDerWaalsContact O-N 3.17Å; Y549-A551 VanDerWaalsContact C-N 3.33Å; Y549-K559 HydrophobicContact CD1-CB 4.29Å; Y549-K559 HydrophobicContact CD1-CD 4.36Å; Y549-K559 HydrophobicContact CE1-CB 4.3Å; Y549-K559 PolarHBondContact O-NZ 3.4Å; Y549-V563 HydrophobicContact CD2-CG2 4.16Å; Y549-V563 HydrophobicContact CE2-CG2 3.51Å
550	S	78.4	Confident	75.2	Confident	90 Å²	90	68.2 Å²	68.2	63%	0.629	37%	0.373	S	S	*	.	H	α-helix	trans	-68.9	-29.8	173.9	-46.7	0	0	0	0	112.9	N547 I552	N547-S550 PolarHBondContact O-N 2.93Å; N547-S550 VanDerWaalsContact O-N 3.13Å; S550-I552 PolarHBondContact O-N 3.46Å; S550-I552 VanDerWaalsContact O-N 3.13Å
551	A	72.3	Confident	77.2	Confident	33 Å²	33	63.8 Å²	63.8	27%	0.273	34%	0.343	S	S	.	.			trans	-53	117.2	-178.5	0	0	0	0	0	112.2	N547 Y549 L554 K559	N547-A551 WeakPolarHBondContact O-CB 3.34Å; N547-A551 PolarHBondContact O-N 3.22Å; Y549-A551 VanDerWaalsContact C-N 3.33Å; A551-L554 HydrophobicContact CB-CD1 3.79Å; A551-L554 HydrophobicContact CB-CG 4.12Å; A551-K559 WeakPolarHBondContact O-CE 3.46Å; A551-K559 PolarHBondContact O-NZ 2.93Å
552	I	71.4	Confident	78.9	Confident	143 Å²	143	60.9 Å²	60.9	73%	0.733	33%	0.329	S	S	*	.	S	Bend	trans	-69	154	176.4	-58.6	176.8	0	0	0	108.9	S550 L554	S550-I552 PolarHBondContact O-N 3.46Å; S550-I552 VanDerWaalsContact O-N 3.13Å; I552-L554 PolarHBondContact O-N 2.77Å
553	G	72.6	Confident	80.7	Confident	22 Å²	22	58.8 Å²	58.8	23%	0.227	32%	0.32	C	S	.	.	S	Bend	trans	78.3	-29.4	176.5	0	0	0	0	0	116.5	R679	G553-R679 PolarHBondContact O-NH1 3.28Å
554	L	82.6	Confident	82.2	Confident	21 Å²	21	61 Å²	61	11%	0.11	33%	0.325	C	S	.	.			trans	-68	131.5	-179.8	-64.6	-170	0	0	0	113	A551 I552 Q558 K559 M569 F603 F675	A551-L554 HydrophobicContact CB-CD1 3.79Å; A551-L554 HydrophobicContact CB-CG 4.12Å; I552-L554 PolarHBondContact O-N 2.77Å; L554-Q558 HydrophobicContact CB-CB 4.22Å; L554-Q558 HydrophobicContact CD2-CB 4.3Å; L554-K559 HydrophobicContact CB-CD 4.47Å; L554-K559 HydrophobicContact CB-CG 3.75Å; L554-K559 HydrophobicContact CD1-CG 4.5Å; L554-K559 VanDerWaalsContact O-CE 3.3Å; L554-K559 WeakPolarHBondContact O-CE 3.5Å; L554-M569 HydrophobicContact CD1-CE 4.32Å; L554-F603 HydrophobicContact CD2-CB 4.15Å; L554-F603 HydrophobicContact CD2-CD2 4.37Å; L554-F675 HydrophobicContact CD2-CZ 3.99Å
555	S	85.1	Confident	83.3	Confident	18 Å²	18	61.4 Å²	61.4	13%	0.126	33%	0.325	C	S	.	.			trans	-72	162.4	172.8	62.5	0	0	0	0	113.2	S557 Q558 K559 E682	S555-S557 VanDerWaalsContact C-N 3.31Å; S555-S557 PolarHBondContact O-N 2.99Å; S555-Q558 CarbonylContact O-C 3.53Å; S555-Q558 WeakPolarHBondContact O-CA 3.41Å; S555-Q558 WeakPolarHBondContact O-CB 3.21Å; S555-Q558 PolarHBondContact O-N 3.34Å; S555-Q558 WeakPolarHBondContact OG-CB 3.27Å; S555-Q558 VanDerWaalsContact OG-CG 3.31Å; S555-Q558 WeakPolarHBondContact OG-CG 3.33Å; S555-Q558 PolarHBondContact OG-OE1 2.98Å; S555-K559 WeakPolarHBondContact O-CG 3.22Å; S555-K559 PolarHBondContact O-N 3.22Å; S555-E682 WeakPolarHBondContact CB-OE2 3.48Å
556	N	86.7	Confident	84.2	Confident	113 Å²	113	60 Å²	60	60%	0.604	32%	0.315	S	S	*	.	H	α-helix	trans	-61.9	-35.1	-173.4	-78.5	-43.2	0	0	0	113.3	K560 E682	N556-K560 WeakPolarHBondContact O-CG 3.43Å; N556-K560 PolarHBondContact O-N 3.07Å; N556-E682 PolarHBondContact N-OE2 3Å
557	S	87.2	Confident	85	Confident	24 Å²	24	57.8 Å²	57.8	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-73.4	-32.1	171.8	-72.8	0	0	0	0	112.8	S555 K560 Q561 E682	S555-S557 VanDerWaalsContact C-N 3.31Å; S555-S557 PolarHBondContact O-N 2.99Å; S557-K560 PolarHBondContact O-N 3.35Å; S557-Q561 WeakPolarHBondContact O-CG 3.28Å; S557-Q561 PolarHBondContact O-N 2.62Å; S557-E682 VanDerWaalsContact CB-OE1 3.26Å; S557-E682 WeakPolarHBondContact CB-OE1 3.43Å; S557-E682 PolarHBondContact N-OE1 2.9Å; S557-E682 PolarHBondContact N-OE2 2.95Å; S557-E682 PolarHBondContact OG-OE1 2.89Å
558	Q	90.9	Very high	85.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-41.6	173	-77.8	165.7	-33.5	0	0	112.2	L554 S555 K560 Q561 C562 F675	L554-Q558 HydrophobicContact CB-CB 4.22Å; L554-Q558 HydrophobicContact CD2-CB 4.3Å; S555-Q558 CarbonylContact O-C 3.53Å; S555-Q558 WeakPolarHBondContact O-CA 3.41Å; S555-Q558 WeakPolarHBondContact O-CB 3.21Å; S555-Q558 PolarHBondContact O-N 3.34Å; S555-Q558 WeakPolarHBondContact OG-CB 3.27Å; S555-Q558 VanDerWaalsContact OG-CG 3.31Å; S555-Q558 WeakPolarHBondContact OG-CG 3.33Å; S555-Q558 PolarHBondContact OG-OE1 2.98Å; Q558-K560 VanDerWaalsContact C-N 3.31Å; Q558-K560 PolarHBondContact O-N 3.26Å; Q558-Q561 PolarHBondContact O-N 2.96Å; Q558-Q561 VanDerWaalsContact O-N 3.15Å; Q558-C562 WeakPolarHBondContact O-CB 3.34Å; Q558-C562 PolarHBondContact O-N 3.41Å; Q558-F675 HydrophobicContact CB-CE2 4.04Å; Q558-F675 HydrophobicContact CB-CZ 4.25Å; Q558-F675 HydrophobicContact CG-CD2 4.28Å; Q558-F675 HydrophobicContact CG-CE1 4.42Å; Q558-F675 HydrophobicContact CG-CE2 4.11Å; Q558-F675 HydrophobicContact CG-CZ 4.18Å; Q558-F675 WeakPolarHBondContact CG-O 3.23Å; Q558-F675 PolarHBondContact NE2-O 2.68Å
559	K	89.4	Confident	85.8	Confident	37 Å²	37	56.3 Å²	56.3	16%	0.161	30%	0.3	C	S	.	.	H	α-helix	trans	-58.3	-43.1	174.6	-64.9	-169.6	163.8	-171	0	111.2	C548 Y549 A551 L554 S555 Q561 C562 V563	C548-K559 WeakPolarHBondContact O-CD 3.41Å; C548-K559 VanDerWaalsContact O-CG 3.24Å; C548-K559 WeakPolarHBondContact O-CG 3.49Å; Y549-K559 HydrophobicContact CD1-CB 4.29Å; Y549-K559 HydrophobicContact CD1-CD 4.36Å; Y549-K559 HydrophobicContact CE1-CB 4.3Å; Y549-K559 PolarHBondContact O-NZ 3.4Å; A551-K559 WeakPolarHBondContact O-CE 3.46Å; A551-K559 PolarHBondContact O-NZ 2.93Å; L554-K559 HydrophobicContact CB-CD 4.47Å; L554-K559 HydrophobicContact CB-CG 3.75Å; L554-K559 HydrophobicContact CD1-CG 4.5Å; L554-K559 VanDerWaalsContact O-CE 3.3Å; L554-K559 WeakPolarHBondContact O-CE 3.5Å; S555-K559 WeakPolarHBondContact O-CG 3.22Å; S555-K559 PolarHBondContact O-N 3.22Å; K559-Q561 PolarHBondContact O-N 3.29Å; K559-C562 WeakPolarHBondContact O-CB 3.46Å; K559-C562 PolarHBondContact O-N 3.3Å; K559-V563 WeakPolarHBondContact O-CG2 3.4Å; K559-V563 PolarHBondContact O-N 3.31Å
560	K	90.5	Very high	86.1	Confident	134 Å²	134	51.6 Å²	51.6	58%	0.583	29%	0.286	S	S	*	.	H	α-helix	trans	-63.4	-39.2	173.9	-70.6	169.2	-176.5	173.9	0	113.6	N556 S557 Q558 K564	N556-K560 WeakPolarHBondContact O-CG 3.43Å; N556-K560 PolarHBondContact O-N 3.07Å; S557-K560 PolarHBondContact O-N 3.35Å; Q558-K560 VanDerWaalsContact C-N 3.31Å; Q558-K560 PolarHBondContact O-N 3.26Å; K560-K564 WeakPolarHBondContact O-CB 3.44Å; K560-K564 PolarHBondContact O-N 3.37Å
561	Q	90.8	Very high	86.6	Confident	36 Å²	36	47.4 Å²	47.4	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-71.8	-36.1	176.7	-69.4	-80.6	56.1	0	0	112.1	S557 Q558 K559 K564 H565 F675	S557-Q561 WeakPolarHBondContact O-CG 3.28Å; S557-Q561 PolarHBondContact O-N 2.62Å; Q558-Q561 PolarHBondContact O-N 2.96Å; Q558-Q561 VanDerWaalsContact O-N 3.15Å; K559-Q561 PolarHBondContact O-N 3.29Å; Q561-K564 PolarHBondContact O-N 3.22Å; Q561-H565 WeakPolarHBondContact O-CB 3.4Å; Q561-H565 PolarHBondContact O-N 3.2Å; Q561-F675 HydrophobicContact CB-CD2 4.08Å
562	C	91	Very high	87.5	Confident	5 Å²	5	46 Å²	46	3%	0.034	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-54.3	172.3	178.9	0	0	0	0	110.7	C548 Q558 K559 K564 H565 T566 M569	C548-C562 VanDerWaalsContact CA-SG 3.54Å; C548-C562 HydrophobicContact CB-CB 3.62Å; C548-C562 WeakPolarHBondContact CB-SG 3.32Å; C548-C562 WeakPolarHBondContact SG-CB 3.41Å; C548-C562 CovalentContact SG-SG 2.03Å; C548-C562 PolarHBondContact SG-SG 3.35Å; Q558-C562 WeakPolarHBondContact O-CB 3.34Å; Q558-C562 PolarHBondContact O-N 3.41Å; K559-C562 WeakPolarHBondContact O-CB 3.46Å; K559-C562 PolarHBondContact O-N 3.3Å; C562-K564 PolarHBondContact O-N 3.35Å; C562-H565 CarbonylContact O-C 3.43Å; C562-H565 PolarHBondContact O-N 3.01Å; C562-H565 VanDerWaalsContact O-N 3.08Å; C562-T566 VanDerWaalsContact O-CA 3.25Å; C562-T566 WeakPolarHBondContact O-CA 3.48Å; C562-T566 PolarHBondContact O-N 2.98Å; C562-T566 PolarHBondContact O-OG1 3.41Å; C562-M569 HydrophobicContact CB-CE 4.14Å; C562-M569 HydrophobicContact CB-CG 4.36Å; C562-M569 HydrophobicContact CB-SD 3.73Å; C562-M569 VanDerWaalsContact SG-SD 3.61Å
563	V	91.3	Very high	88.2	Confident	53 Å²	53	40.7 Å²	40.7	32%	0.321	22%	0.22	S	C	.	.	H	α-helix	trans	-58	-34	178.9	173.7	0	0	0	0	112.6	C548 Y549 K559	C548-V563 HydrophobicContact CB-CG2 3.59Å; C548-V563 PolarHBondContact SG-N 2.93Å; Y549-V563 HydrophobicContact CD2-CG2 4.16Å; Y549-V563 HydrophobicContact CE2-CG2 3.51Å; K559-V563 WeakPolarHBondContact O-CG2 3.4Å; K559-V563 PolarHBondContact O-N 3.31Å
564	K	90.3	Very high	88.9	Confident	138 Å²	138	43.1 Å²	43.1	60%	0.6	22%	0.222	S	C	*	.	H	α-helix	trans	-77.6	-27.3	-179.6	-174.7	-175.7	168	-164.1	0	113.2	K560 Q561 C562	K560-K564 WeakPolarHBondContact O-CB 3.44Å; K560-K564 PolarHBondContact O-N 3.37Å; Q561-K564 PolarHBondContact O-N 3.22Å; C562-K564 PolarHBondContact O-N 3.35Å
565	H	90.3	Very high	89.2	Confident	67 Å²	67	42.1 Å²	42.1	31%	0.31	22%	0.217	S	C	.	.	S	Bend	trans	-139.1	42.2	-168.5	-65.8	-71.1	0	0	0	112	Q561 C562 S567 V568 F671	Q561-H565 WeakPolarHBondContact O-CB 3.4Å; Q561-H565 PolarHBondContact O-N 3.2Å; C562-H565 CarbonylContact O-C 3.43Å; C562-H565 PolarHBondContact O-N 3.01Å; C562-H565 VanDerWaalsContact O-N 3.08Å; H565-S567 PolarHBondContact O-N 3.41Å; H565-S567 VanDerWaalsContact O-N 3.1Å; H565-V568 HydrophobicContact CB-CG2 4.14Å; H565-V568 WeakPolarHBondContact O-CB 3.43Å; H565-V568 PolarHBondContact O-N 3.42Å; H565-F671 HydrophobicContact CB-CE2 3.66Å; H565-F671 HydrophobicContact CB-CZ 3.8Å; H565-F671 AromaticContact CD2-CE2 3.71Å; H565-F671 AromaticContact CG-CE2 3.69Å
566	T	89.5	Confident	89.4	Confident	24 Å²	24	41.6 Å²	41.6	15%	0.147	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-56.6	-33.9	-169.3	-27.3	0	0	0	0	113.3	L543 C562 V568 M569	L543-T566 WeakPolarHBondContact CD2-O 3.29Å; L543-T566 VanDerWaalsContact O-CG2 3.25Å; L543-T566 WeakPolarHBondContact O-CG2 3.17Å; C562-T566 VanDerWaalsContact O-CA 3.25Å; C562-T566 WeakPolarHBondContact O-CA 3.48Å; C562-T566 PolarHBondContact O-N 2.98Å; C562-T566 PolarHBondContact O-OG1 3.41Å; T566-V568 PolarHBondContact O-N 3.06Å; T566-V568 VanDerWaalsContact O-N 3.16Å; T566-M569 VanDerWaalsContact O-CB 3.29Å; T566-M569 WeakPolarHBondContact O-CB 3.36Å; T566-M569 WeakPolarHBondContact O-CG 3.48Å; T566-M569 PolarHBondContact O-N 3Å
567	S	88.4	Confident	89.3	Confident	64 Å²	64	39.5 Å²	39.5	45%	0.448	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-61.4	-20.1	175.9	53.1	0	0	0	0	114.6	H565 P570 L638	H565-S567 PolarHBondContact O-N 3.41Å; H565-S567 VanDerWaalsContact O-N 3.1Å; S567-P570 WeakPolarHBondContact O-CD 3.45Å; S567-L638 WeakPolarHBondContact O-CD2 3.31Å
568	V	91.6	Very high	89.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-84	-18.6	176.7	-167.8	0	0	0	0	111.6	H565 T566 A571 I572 I629 L638 F671	H565-V568 HydrophobicContact CB-CG2 4.14Å; H565-V568 WeakPolarHBondContact O-CB 3.43Å; H565-V568 PolarHBondContact O-N 3.42Å; T566-V568 PolarHBondContact O-N 3.06Å; T566-V568 VanDerWaalsContact O-N 3.16Å; V568-A571 WeakPolarHBondContact O-CB 3.44Å; V568-A571 PolarHBondContact O-N 2.86Å; V568-A571 VanDerWaalsContact O-N 3.1Å; V568-I572 HydrophobicContact CB-CD1 4.38Å; V568-I572 HydrophobicContact CG1-CD1 4Å; V568-I572 HydrophobicContact CG1-CG1 4.21Å; V568-I572 WeakPolarHBondContact O-CG1 3.49Å; V568-I572 PolarHBondContact O-N 3.26Å; V568-I572 VanDerWaalsContact O-N 3.12Å; V568-I629 HydrophobicContact CG1-CD1 4.04Å; V568-I629 HydrophobicContact CG1-CG1 3.92Å; V568-I629 HydrophobicContact CG1-CG2 4.29Å; V568-L638 HydrophobicContact CG1-CD1 4.19Å; V568-L638 HydrophobicContact CG2-CD1 4.46Å; V568-L638 HydrophobicContact CG2-CD2 4.29Å; V568-F671 HydrophobicContact CB-CE1 4.5Å; V568-F671 HydrophobicContact CB-CE2 4.17Å; V568-F671 HydrophobicContact CB-CZ 3.98Å; V568-F671 HydrophobicContact CG1-CD1 4.25Å; V568-F671 HydrophobicContact CG1-CD2 4.37Å; V568-F671 HydrophobicContact CG1-CE1 4.03Å; V568-F671 HydrophobicContact CG1-CE2 4.12Å; V568-F671 HydrophobicContact CG1-CG 4.44Å; V568-F671 HydrophobicContact CG1-CZ 3.94Å; V568-F671 HydrophobicContact CG2-CE2 3.94Å; V568-F671 HydrophobicContact CG2-CZ 4.26Å
569	M	89.7	Confident	89.3	Confident	27 Å²	27	38.7 Å²	38.7	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-37.3	-175.5	-62.2	-61.6	-59	0	0	114.8	L554 C562 T566 A571 I572 S573 F675	L554-M569 HydrophobicContact CD1-CE 4.32Å; C562-M569 HydrophobicContact CB-CE 4.14Å; C562-M569 HydrophobicContact CB-CG 4.36Å; C562-M569 HydrophobicContact CB-SD 3.73Å; C562-M569 VanDerWaalsContact SG-SD 3.61Å; T566-M569 VanDerWaalsContact O-CB 3.29Å; T566-M569 WeakPolarHBondContact O-CB 3.36Å; T566-M569 WeakPolarHBondContact O-CG 3.48Å; T566-M569 PolarHBondContact O-N 3Å; M569-A571 VanDerWaalsContact C-N 3.32Å; M569-A571 PolarHBondContact O-N 3.44Å; M569-I572 PolarHBondContact O-N 3.46Å; M569-I572 HydrophobicContact SD-CD1 3.77Å; M569-S573 WeakPolarHBondContact O-CB 3.39Å; M569-S573 PolarHBondContact O-N 2.62Å; M569-F675 HydrophobicContact CE-CE2 4.38Å; M569-F675 HydrophobicContact CE-CZ 4.12Å; M569-F675 HydrophobicContact SD-CE2 4.08Å; M569-F675 HydrophobicContact SD-CZ 4.33Å
570	P	87.2	Confident	89.1	Confident	34 Å²	34	38.3 Å²	38.3	22%	0.221	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-32.7	173.8	-24.1	35.1	0	0	0	113.9	I541 L543 S567 R574	I541-P570 HydrophobicContact CD1-CB 4.46Å; L543-P570 HydrophobicContact CD2-CG 3.62Å; L543-P570 HydrophobicContact CG-CG 4.42Å; S567-P570 WeakPolarHBondContact O-CD 3.45Å; P570-R574 WeakPolarHBondContact O-CB 3.34Å; P570-R574 WeakPolarHBondContact O-CG 3.45Å; P570-R574 PolarHBondContact O-N 3.38Å; P570-R574 PolarHBondContact O-NE 2.88Å
571	A	90.4	Very high	89.1	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-71.2	-40	173.9	0	0	0	0	0	111.3	V568 M569 G575 F628 I629 A632	V568-A571 WeakPolarHBondContact O-CB 3.44Å; V568-A571 PolarHBondContact O-N 2.86Å; V568-A571 VanDerWaalsContact O-N 3.1Å; M569-A571 VanDerWaalsContact C-N 3.32Å; M569-A571 PolarHBondContact O-N 3.44Å; A571-G575 PolarHBondContact O-N 3.23Å; A571-F628 WeakPolarHBondContact O-CB 3.35Å; A571-I629 HydrophobicContact CB-CG1 4.21Å; A571-A632 HydrophobicContact CB-CB 3.9Å
572	I	90.8	Very high	89.2	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-44.7	175.7	-64.9	163.3	0	0	0	111.1	V568 M569 G575 A576 F603 V625 I629 F671 F675	V568-I572 HydrophobicContact CB-CD1 4.38Å; V568-I572 HydrophobicContact CG1-CD1 4Å; V568-I572 HydrophobicContact CG1-CG1 4.21Å; V568-I572 WeakPolarHBondContact O-CG1 3.49Å; V568-I572 PolarHBondContact O-N 3.26Å; V568-I572 VanDerWaalsContact O-N 3.12Å; M569-I572 PolarHBondContact O-N 3.46Å; M569-I572 HydrophobicContact SD-CD1 3.77Å; I572-G575 PolarHBondContact O-N 2.95Å; I572-A576 WeakPolarHBondContact O-CB 3.3Å; I572-A576 PolarHBondContact O-N 3.1Å; I572-F603 HydrophobicContact CG2-CE1 4.48Å; I572-F603 HydrophobicContact CG2-CE2 3.55Å; I572-F603 HydrophobicContact CG2-CZ 3.47Å; I572-F603 VanDerWaalsContact CG2-CZ 3.47Å; I572-V625 HydrophobicContact CG1-CG1 4.16Å; I572-V625 HydrophobicContact CG2-CG1 4.33Å; I572-I629 HydrophobicContact CG1-CD1 3.93Å; I572-I629 HydrophobicContact CG1-CG1 4.29Å; I572-F671 HydrophobicContact CD1-CD1 4.35Å; I572-F671 HydrophobicContact CD1-CE1 3.56Å; I572-F671 HydrophobicContact CD1-CZ 4.23Å; I572-F675 HydrophobicContact CD1-CD1 4.47Å; I572-F675 HydrophobicContact CD1-CD2 4.42Å; I572-F675 HydrophobicContact CD1-CE2 4.45Å; I572-F675 HydrophobicContact CD1-CG 4.44Å; I572-F675 HydrophobicContact CD1-CZ 4.49Å; I572-F675 HydrophobicContact CG2-CD1 4.31Å; I572-F675 HydrophobicContact CG2-CE1 3.79Å; I572-F675 HydrophobicContact CG2-CZ 4.29Å
573	S	86.3	Confident	89.3	Confident	33 Å²	33	33.8 Å²	33.8	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-44.9	-179.3	-173	0	0	0	0	112.5	I541 M569 G575 A576 R577	I541-S573 WeakPolarHBondContact CD1-OG 3.47Å; M569-S573 WeakPolarHBondContact O-CB 3.39Å; M569-S573 PolarHBondContact O-N 2.62Å; S573-G575 VanDerWaalsContact C-N 3.29Å; S573-G575 PolarHBondContact O-N 3.31Å; S573-A576 WeakPolarHBondContact O-CB 3.49Å; S573-A576 PolarHBondContact O-N 2.96Å; S573-R577 PolarHBondContact O-N 2.85Å
574	R	86.9	Confident	89.3	Confident	72 Å²	72	34.7 Å²	34.7	27%	0.272	17%	0.173	S	C	.	.	H	α-helix	trans	-58.2	-41.9	171.6	-73.8	-173.9	-65.4	170.9	2.1	111.5	P570 A576 R577 A578 F628	P570-R574 WeakPolarHBondContact O-CB 3.34Å; P570-R574 WeakPolarHBondContact O-CG 3.45Å; P570-R574 PolarHBondContact O-N 3.38Å; P570-R574 PolarHBondContact O-NE 2.88Å; R574-A576 VanDerWaalsContact C-N 3.34Å; R574-A576 PolarHBondContact O-N 3.47Å; R574-R577 PolarHBondContact O-N 3.03Å; R574-A578 VanDerWaalsContact O-CB 3.28Å; R574-A578 WeakPolarHBondContact O-CB 3.15Å; R574-A578 PolarHBondContact O-N 3.44Å; R574-F628 HydrophobicContact CB-CD1 3.72Å; R574-F628 HydrophobicContact CB-CE1 3.8Å
575	G	89.8	Confident	89.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-36.7	172.8	0	0	0	0	0	114	A571 I572 S573 A579 T624	A571-G575 PolarHBondContact O-N 3.23Å; I572-G575 PolarHBondContact O-N 2.95Å; S573-G575 VanDerWaalsContact C-N 3.29Å; S573-G575 PolarHBondContact O-N 3.31Å; G575-A579 PolarHBondContact O-N 3.42Å; G575-T624 VanDerWaalsContact O-CB 3.23Å; G575-T624 WeakPolarHBondContact O-CB 3.47Å; G575-T624 PolarHBondContact O-OG1 2.69Å
576	A	87.8	Confident	89.7	Confident	7 Å²	7	29.6 Å²	29.6	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-70.1	-48	175.8	0	0	0	0	0	112.3	I572 S573 R574 A578 A579 I580 V602 F603	I572-A576 WeakPolarHBondContact O-CB 3.3Å; I572-A576 PolarHBondContact O-N 3.1Å; S573-A576 WeakPolarHBondContact O-CB 3.49Å; S573-A576 PolarHBondContact O-N 2.96Å; R574-A576 VanDerWaalsContact C-N 3.34Å; R574-A576 PolarHBondContact O-N 3.47Å; A576-A578 VanDerWaalsContact C-N 3.3Å; A576-A578 PolarHBondContact O-N 3.3Å; A576-A579 WeakPolarHBondContact O-CB 3.19Å; A576-A579 PolarHBondContact O-N 2.83Å; A576-A579 VanDerWaalsContact O-N 3.07Å; A576-I580 PolarHBondContact O-N 2.89Å; A576-V602 HydrophobicContact CB-CB 4.15Å; A576-V602 HydrophobicContact CB-CG2 3.94Å; A576-V602 WeakPolarHBondContact O-CG2 3.31Å; A576-F603 HydrophobicContact CB-CE2 3.79Å; A576-F603 HydrophobicContact CB-CZ 3.95Å
577	R	84.7	Confident	89.9	Confident	70 Å²	70	28.5 Å²	28.5	26%	0.264	14%	0.144	S	C	.	.	H	α-helix	trans	-56.5	-45.3	174.2	-67.5	-178.8	-177.3	163.6	5.3	110.7	Y537 E539 S573 R574 A579 I580 Q581	Y537-R577 PolarHBondContact O-NH1 3.2Å; E539-R577 PolarHBondContact O-NH2 3.34Å; S573-R577 PolarHBondContact O-N 2.85Å; R574-R577 PolarHBondContact O-N 3.03Å; R577-A579 VanDerWaalsContact C-N 3.33Å; R577-A579 PolarHBondContact O-N 3.47Å; R577-I580 PolarHBondContact O-N 3.43Å; R577-Q581 WeakPolarHBondContact O-CG 3.49Å; R577-Q581 PolarHBondContact O-N 3.36Å; R577-Q581 VanDerWaalsContact O-N 3.08Å
578	A	87.8	Confident	90	Very high	3 Å²	3	30.2 Å²	30.2	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-30.3	175.8	0	0	0	0	0	114	M498 R574 A576 E582 F628	M498-A578 HydrophobicContact CE-CB 4.2Å; R574-A578 VanDerWaalsContact O-CB 3.28Å; R574-A578 WeakPolarHBondContact O-CB 3.15Å; R574-A578 PolarHBondContact O-N 3.44Å; A576-A578 VanDerWaalsContact C-N 3.3Å; A576-A578 PolarHBondContact O-N 3.3Å; A578-E582 WeakPolarHBondContact O-CB 3.27Å; A578-E582 PolarHBondContact O-N 3.14Å; A578-F628 HydrophobicContact CB-CE2 3.56Å; A578-F628 HydrophobicContact CB-CZ 3.59Å
579	A	90.8	Very high	90	Very high	5 Å²	5	33 Å²	33	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-41.3	173.7	0	0	0	0	0	111.9	G575 A576 R577 C583 L620 A621 T624	G575-A579 PolarHBondContact O-N 3.42Å; A576-A579 WeakPolarHBondContact O-CB 3.19Å; A576-A579 PolarHBondContact O-N 2.83Å; A576-A579 VanDerWaalsContact O-N 3.07Å; R577-A579 VanDerWaalsContact C-N 3.33Å; R577-A579 PolarHBondContact O-N 3.47Å; A579-C583 WeakPolarHBondContact O-CB 3.39Å; A579-C583 PolarHBondContact O-N 2.04Å; A579-L620 HydrophobicContact CB-CG 4.33Å; A579-L620 VanDerWaalsContact O-CD2 3.3Å; A579-L620 WeakPolarHBondContact O-CD2 3.37Å; A579-A621 HydrophobicContact CB-CB 4.49Å; A579-T624 HydrophobicContact CB-CG2 4.1Å; A579-T624 WeakPolarHBondContact CB-OG1 3.47Å
580	I	86.2	Confident	90.2	Very high	29 Å²	29	34.4 Å²	34.4	15%	0.149	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-49.3	176	-63.9	174.7	0	0	0	109.7	A576 R577 E582 C583 Q584 T597 V602	A576-I580 PolarHBondContact O-N 2.89Å; R577-I580 PolarHBondContact O-N 3.43Å; I580-E582 PolarHBondContact O-N 2.86Å; I580-C583 WeakPolarHBondContact O-CB 3.47Å; I580-C583 PolarHBondContact O-N 3.04Å; I580-Q584 HydrophobicContact CG2-CG 4.37Å; I580-Q584 VanDerWaalsContact CG2-NE2 3.33Å; I580-Q584 WeakPolarHBondContact O-CB 3.26Å; I580-Q584 WeakPolarHBondContact O-CG 3.22Å; I580-Q584 PolarHBondContact O-N 3.11Å; I580-T597 WeakPolarHBondContact CG2-OG1 3.4Å; I580-V602 HydrophobicContact CD1-CG2 3.64Å; I580-V602 HydrophobicContact CG1-CG2 3.52Å
581	Q	89.2	Confident	90.4	Very high	77 Å²	77	37.2 Å²	37.2	36%	0.36	17%	0.168	S	C	.	.	H	α-helix	trans	-59.9	-46.7	-179.4	-70.6	168.3	-33.2	0	0	112.4	M498 R577 Q584 F585	M498-Q581 HydrophobicContact CE-CB 4.2Å; R577-Q581 WeakPolarHBondContact O-CG 3.49Å; R577-Q581 PolarHBondContact O-N 3.36Å; R577-Q581 VanDerWaalsContact O-N 3.08Å; Q581-Q584 PolarHBondContact O-N 3.23Å; Q581-F585 WeakPolarHBondContact O-CB 3.36Å; Q581-F585 PolarHBondContact O-N 3.04Å
582	E	93.1	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-33.6	177	-175.3	59.9	-157.5	0	0	111.9	A578 I580 F585 Q586 L620 I883 R884	A578-E582 WeakPolarHBondContact O-CB 3.27Å; A578-E582 PolarHBondContact O-N 3.14Å; I580-E582 PolarHBondContact O-N 2.86Å; E582-F585 PolarHBondContact O-N 2.97Å; E582-Q586 HydrophobicContact CG-CG 4.28Å; E582-Q586 WeakPolarHBondContact O-CB 3.3Å; E582-Q586 WeakPolarHBondContact O-CG 3.37Å; E582-Q586 PolarHBondContact O-N 2.61Å; E582-Q586 WeakPolarHBondContact OE1-CG 3.34Å; E582-Q586 PolarHBondContact OE1-NE2 2.87Å; E582-L620 HydrophobicContact CB-CD2 4.19Å; E582-L620 HydrophobicContact CG-CD1 4.34Å; E582-L620 HydrophobicContact CG-CD2 4.33Å; E582-I883 HydrophobicContact CB-CG2 4.08Å; E582-I883 HydrophobicContact CG-CG2 4.08Å; E582-R884 VanDerWaalsContact CD-NE 3.3Å; E582-R884 WeakPolarHBondContact OE1-CD 3.44Å; E582-R884 IonicContact OE1-CZ 2.71Å; E582-R884 IonicContact OE1-NE 3.2Å; E582-R884 PolarHBondContact OE1-NE 3.02Å; E582-R884 IonicContact OE2-CZ 3.45Å; E582-R884 VanDerWaalsContact OE2-CZ 3.28Å; E582-R884 IonicContact OE2-NE 3.85Å; E582-R884 PolarHBondContact OE2-NE 2.97Å; E582-R884 IonicContact OE2-NH2 3.59Å; E582-R884 PolarHBondContact OE2-NH2 3.17Å
583	C	93.5	Very high	90.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-44.7	172.9	-171.2	0	0	0	0	111.8	A579 I580 Q586 F587 C594 F616 L620	A579-C583 WeakPolarHBondContact O-CB 3.39Å; A579-C583 PolarHBondContact O-N 2.04Å; I580-C583 WeakPolarHBondContact O-CB 3.47Å; I580-C583 PolarHBondContact O-N 3.04Å; C583-Q586 PolarHBondContact O-N 3.47Å; C583-F587 WeakPolarHBondContact O-CB 3.29Å; C583-F587 WeakPolarHBondContact O-CD2 3.37Å; C583-F587 PolarHBondContact O-N 3.28Å; C583-C594 HydrophobicContact CB-CB 3.84Å; C583-C594 WeakPolarHBondContact CB-SG 3.46Å; C583-C594 WeakPolarHBondContact SG-CB 3.29Å; C583-C594 CovalentContact SG-SG 2.04Å; C583-C594 PolarHBondContact SG-SG 3.02Å; C583-F616 HydrophobicContact CB-CE1 4.22Å; C583-L620 HydrophobicContact CB-CD2 3.89Å
584	Q	92	Very high	90.5	Very high	73 Å²	73	37.4 Å²	37.4	34%	0.341	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-42.4	174.7	-70.8	173.5	0.8	0	0	111.3	I580 Q581 F587 K588 C594	I580-Q584 HydrophobicContact CG2-CG 4.37Å; I580-Q584 VanDerWaalsContact CG2-NE2 3.33Å; I580-Q584 WeakPolarHBondContact O-CB 3.26Å; I580-Q584 WeakPolarHBondContact O-CG 3.22Å; I580-Q584 PolarHBondContact O-N 3.11Å; Q581-Q584 PolarHBondContact O-N 3.23Å; Q584-F587 CarbonylContact O-C 3.43Å; Q584-F587 PolarHBondContact O-N 3.38Å; Q584-K588 WeakPolarHBondContact O-CA 3.33Å; Q584-K588 WeakPolarHBondContact O-CB 3.44Å; Q584-K588 PolarHBondContact O-N 2.81Å; Q584-C594 HydrophobicContact CG-CB 4.08Å
585	F	93.3	Very high	90	Very high	74 Å²	74	35.9 Å²	35.9	33%	0.325	17%	0.167	S	C	.	.	H	α-helix	trans	-59.3	-51.4	174.5	-178.7	-87.9	0	0	0	112.1	Q581 E582 F587 K588 R884	Q581-F585 WeakPolarHBondContact O-CB 3.36Å; Q581-F585 PolarHBondContact O-N 3.04Å; E582-F585 PolarHBondContact O-N 2.97Å; F585-F587 VanDerWaalsContact C-N 3.26Å; F585-F587 PolarHBondContact O-N 2.76Å; F585-K588 VanDerWaalsContact O-CG 3.25Å; F585-K588 WeakPolarHBondContact O-CG 3.26Å; F585-K588 PolarHBondContact O-N 2.87Å; F585-R884 VanDerWaalsContact CZ-NH1 3.29Å
586	Q	94.6	Very high	88.6	Confident	23 Å²	23	37.1 Å²	37.1	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-33.8	-179	-72.3	-68.7	-25.6	0	0	112.2	E582 C583 F616 D888 R891	E582-Q586 HydrophobicContact CG-CG 4.28Å; E582-Q586 WeakPolarHBondContact O-CB 3.3Å; E582-Q586 WeakPolarHBondContact O-CG 3.37Å; E582-Q586 PolarHBondContact O-N 2.61Å; E582-Q586 WeakPolarHBondContact OE1-CG 3.34Å; E582-Q586 PolarHBondContact OE1-NE2 2.87Å; C583-Q586 PolarHBondContact O-N 3.47Å; Q586-F616 HydrophobicContact CB-CZ 4.19Å; Q586-F616 HydrophobicContact CG-CZ 4.14Å; Q586-D888 PolarHBondContact NE2-OD1 2.92Å; Q586-R891 PolarHBondContact O-NH1 2.99Å
587	F	94	Very high	87.1	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-104.5	3.3	-175.6	-74.1	-99	0	0	0	114.7	C583 Q584 F585 N589 R590 W592 N593 F616 R891 Y894	C583-F587 WeakPolarHBondContact O-CB 3.29Å; C583-F587 WeakPolarHBondContact O-CD2 3.37Å; C583-F587 PolarHBondContact O-N 3.28Å; Q584-F587 CarbonylContact O-C 3.43Å; Q584-F587 PolarHBondContact O-N 3.38Å; F585-F587 VanDerWaalsContact C-N 3.26Å; F585-F587 PolarHBondContact O-N 2.76Å; F587-N589 PolarHBondContact O-N 2.81Å; F587-R590 HydrophobicContact CD1-CB 4.18Å; F587-R590 HydrophobicContact CD1-CG 4.41Å; F587-R590 PolarHBondContact O-N 3.44Å; F587-W592 HydrophobicContact CB-CE3 4.33Å; F587-W592 HydrophobicContact CB-CZ3 4.4Å; F587-W592 AromaticContact CD1-CE3 3.48Å; F587-W592 HydrophobicContact CD1-CE3 3.48Å; F587-W592 VanDerWaalsContact CD1-CE3 3.48Å; F587-W592 AromaticContact CD1-CZ3 3.63Å; F587-W592 HydrophobicContact CD1-CZ3 3.63Å; F587-W592 HydrophobicContact CD2-CZ3 4.02Å; F587-W592 AromaticContact CE1-CE3 3.88Å; F587-W592 HydrophobicContact CE1-CE3 3.88Å; F587-W592 AromaticContact CE1-CZ3 3.81Å; F587-W592 HydrophobicContact CE1-CZ3 3.81Å; F587-W592 HydrophobicContact CE2-CZ3 4.2Å; F587-W592 AromaticContact CG-CE3 3.9Å; F587-W592 HydrophobicContact CG-CE3 3.9Å; F587-W592 AromaticContact CG-CZ3 3.74Å; F587-W592 HydrophobicContact CG-CZ3 3.74Å; F587-W592 HydrophobicContact CZ-CZ3 4.1Å; F587-N593 WeakPolarHBondContact O-CA 3.36Å; F587-F616 HydrophobicContact CD2-CD1 4.39Å; F587-F616 HydrophobicContact CD2-CE1 4.14Å; F587-F616 AromaticContact CE2-CD1 3.59Å; F587-F616 HydrophobicContact CE2-CD1 3.59Å; F587-F616 HydrophobicContact CE2-CD2 4.28Å; F587-F616 AromaticContact CE2-CE1 3.61Å; F587-F616 HydrophobicContact CE2-CE1 3.61Å; F587-F616 HydrophobicContact CE2-CE2 4.28Å; F587-F616 AromaticContact CE2-CG 3.95Å; F587-F616 HydrophobicContact CE2-CG 3.95Å; F587-F616 AromaticContact CE2-CZ 3.96Å; F587-F616 HydrophobicContact CE2-CZ 3.96Å; F587-F616 HydrophobicContact CZ-CD1 4.29Å; F587-F616 HydrophobicContact CZ-CG 4.3Å; F587-R891 VanDerWaalsContact CD2-NH1 3.32Å; F587-R891 VanDerWaalsContact CE2-NH1 3.27Å; F587-R891 VanDerWaalsContact CZ-NH1 3.33Å; F587-Y894 HydrophobicContact CE1-CE1 4.01Å; F587-Y894 AromaticContact CE1-CE2 3.98Å; F587-Y894 HydrophobicContact CE1-CE2 3.98Å; F587-Y894 AromaticContact CE1-CZ 3.71Å; F587-Y894 HydrophobicContact CZ-CD1 4.06Å; F587-Y894 AromaticContact CZ-CD2 3.95Å; F587-Y894 HydrophobicContact CZ-CD2 3.95Å; F587-Y894 AromaticContact CZ-CE1 3.99Å; F587-Y894 HydrophobicContact CZ-CE1 3.99Å; F587-Y894 AromaticContact CZ-CE2 3.78Å; F587-Y894 HydrophobicContact CZ-CE2 3.78Å; F587-Y894 HydrophobicContact CZ-CG 4.08Å; F587-Y894 AromaticContact CZ-CZ 3.85Å
588	K	91.4	Very high	85.6	Confident	99 Å²	99	41.9 Å²	41.9	43%	0.43	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-36.6	-177.3	69.4	-174.3	-172.7	175.4	0	114.4	Q584 F585 R947	Q584-K588 WeakPolarHBondContact O-CA 3.33Å; Q584-K588 WeakPolarHBondContact O-CB 3.44Å; Q584-K588 PolarHBondContact O-N 2.81Å; F585-K588 VanDerWaalsContact O-CG 3.25Å; F585-K588 WeakPolarHBondContact O-CG 3.26Å; F585-K588 PolarHBondContact O-N 2.87Å; K588-R947 PolarHBondContact O-NH2 3.31Å
589	N	90.6	Very high	83.8	Confident	59 Å²	59	45.7 Å²	45.7	32%	0.316	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	12.4	-178	-71.9	3.2	0	0	0	114	F587 L956 E957	F587-N589 PolarHBondContact O-N 2.81Å; N589-L956 CarbonylContact O-C 3.6Å; N589-L956 VanDerWaalsContact O-C 3.22Å; N589-L956 WeakPolarHBondContact O-CB 3.37Å; N589-E957 HydrophobicContact CB-CB 3.88Å; N589-E957 PolarHBondContact ND2-OE2 3.34Å; N589-E957 PolarHBondContact O-N 3.45Å
590	R	92.8	Very high	82	Confident	56 Å²	56	53.9 Å²	53.9	21%	0.211	26%	0.263	C	S	.	.	S	Bend	trans	-108	160	174.5	-73.6	-162.9	166.4	-144.9	-4.5	111.9	F587 W592 E895 R947 L956	F587-R590 HydrophobicContact CD1-CB 4.18Å; F587-R590 HydrophobicContact CD1-CG 4.41Å; F587-R590 PolarHBondContact O-N 3.44Å; R590-W592 CarbonylContact C-O 3.56Å; R590-W592 VanDerWaalsContact CB-O 3.29Å; R590-W592 WeakPolarHBondContact CB-O 3.4Å; R590-W592 CarbonylContact O-C 3.58Å; R590-W592 PolarHBondContact O-N 3.13Å; R590-E895 IonicContact CZ-OE1 3.85Å; R590-E895 IonicContact CZ-OE2 2.69Å; R590-E895 IonicContact NE-OE1 2.95Å; R590-E895 IonicContact NH1-OE1 2.97Å; R590-E895 IonicContact NH1-OE2 2.85Å; R590-E895 PolarHBondContact NH1-OE2 3.29Å; R590-E895 IonicContact NH2-OE1 2.7Å; R590-E895 PolarHBondContact NH2-OE1 3.07Å; R590-E895 IonicContact NH2-OE2 3.35Å; R590-E895 PolarHBondContact NH2-OE2 3.46Å; R590-R947 VanDerWaalsContact O-CZ 3.31Å; R590-R947 PolarHBondContact O-NH1 2.91Å; R590-R947 PolarHBondContact O-NH2 3.01Å; R590-L956 HydrophobicContact CG-CD1 3.87Å; R590-L956 VanDerWaalsContact NE-CD1 3.27Å
591	R	93.4	Very high	80.6	Confident	93 Å²	93	54.6 Å²	54.6	35%	0.351	27%	0.268	S	S	.	.	S	Bend	trans	-56.8	-48.8	179.8	-68.8	-179	179.7	170.1	-0.5	112	W932 C933 W941 T944 R947 I961 L962 C964	R591-W932 HydrophobicContact CB-CB 3.9Å; R591-C933 VanDerWaalsContact CZ-SG 3.52Å; R591-C933 PolarHBondContact NH1-SG 3.39Å; R591-W941 WeakPolarHBondContact O-CH2 3.45Å; R591-W941 WeakPolarHBondContact O-CZ2 3.44Å; R591-T944 HydrophobicContact CB-CG2 4.05Å; R591-T944 HydrophobicContact CG-CG2 4.2Å; R591-R947 PolarHBondContact O-NH1 3.49Å; R591-I961 VanDerWaalsContact CZ-O 3.28Å; R591-I961 PolarHBondContact NE-O 2.83Å; R591-I961 PolarHBondContact NH2-O 3.03Å; R591-L962 HydrophobicContact CG-CD1 4.42Å; R591-C964 VanDerWaalsContact CZ-SG 3.53Å; R591-C964 PolarHBondContact NE-SG 3.3Å
592	W	91.1	Very high	79.1	Confident	5 Å²	5	51.3 Å²	51.3	2%	0.019	25%	0.253	C	S	.	.	S	Bend	trans	-85	129.4	158.8	179.5	78.3	0	0	0	109	F587 R590 C594 T596 E613 M614 I617 W932	F587-W592 HydrophobicContact CB-CE3 4.33Å; F587-W592 HydrophobicContact CB-CZ3 4.4Å; F587-W592 AromaticContact CD1-CE3 3.48Å; F587-W592 HydrophobicContact CD1-CE3 3.48Å; F587-W592 VanDerWaalsContact CD1-CE3 3.48Å; F587-W592 AromaticContact CD1-CZ3 3.63Å; F587-W592 HydrophobicContact CD1-CZ3 3.63Å; F587-W592 HydrophobicContact CD2-CZ3 4.02Å; F587-W592 AromaticContact CE1-CE3 3.88Å; F587-W592 HydrophobicContact CE1-CE3 3.88Å; F587-W592 AromaticContact CE1-CZ3 3.81Å; F587-W592 HydrophobicContact CE1-CZ3 3.81Å; F587-W592 HydrophobicContact CE2-CZ3 4.2Å; F587-W592 AromaticContact CG-CE3 3.9Å; F587-W592 HydrophobicContact CG-CE3 3.9Å; F587-W592 AromaticContact CG-CZ3 3.74Å; F587-W592 HydrophobicContact CG-CZ3 3.74Å; F587-W592 HydrophobicContact CZ-CZ3 4.1Å; R590-W592 CarbonylContact C-O 3.56Å; R590-W592 VanDerWaalsContact CB-O 3.29Å; R590-W592 WeakPolarHBondContact CB-O 3.4Å; R590-W592 CarbonylContact O-C 3.58Å; R590-W592 PolarHBondContact O-N 3.13Å; W592-C594 HydrophobicContact CH2-CB 3.74Å; W592-C594 WeakPolarHBondContact CH2-SG 3.47Å; W592-C594 HydrophobicContact CZ2-CB 3.88Å; W592-C594 HydrophobicContact CZ3-CB 4.15Å; W592-T596 PolarHBondContact NE1-OG1 3.2Å; W592-E613 HydrophobicContact CD2-CB 4.16Å; W592-E613 HydrophobicContact CD2-CG 3.95Å; W592-E613 HydrophobicContact CE3-CB 3.86Å; W592-E613 HydrophobicContact CE3-CG 3.6Å; W592-E613 HydrophobicContact CH2-CB 3.88Å; W592-E613 HydrophobicContact CZ2-CB 4.18Å; W592-E613 HydrophobicContact CZ3-CB 3.72Å; W592-E613 HydrophobicContact CZ3-CG 3.94Å; W592-M614 HydrophobicContact CZ2-CE 4.27Å; W592-I617 HydrophobicContact CH2-CD1 3.65Å; W592-I617 HydrophobicContact CH2-CG1 3.96Å; W592-I617 HydrophobicContact CZ2-CD1 3.68Å; W592-I617 HydrophobicContact CZ2-CG1 4.47Å; W592-W932 HydrophobicContact CB-CB 4.32Å; W592-W932 HydrophobicContact CB-CD2 3.63Å; W592-W932 HydrophobicContact CB-CE3 4.16Å; W592-W932 HydrophobicContact CB-CG 3.71Å; W592-W932 HydrophobicContact CB-CZ2 4.3Å; W592-W932 AromaticContact CD1-CE3 3.81Å; W592-W932 AromaticContact CD1-CH2 3.66Å; W592-W932 AromaticContact CD1-CZ2 3.91Å; W592-W932 AromaticContact CD1-CZ3 3.61Å; W592-W932 HydrophobicContact CG-CD2 4.09Å; W592-W932 AromaticContact CG-CE2 3.94Å; W592-W932 HydrophobicContact CG-CE3 4.29Å; W592-W932 HydrophobicContact CG-CH2 4.24Å; W592-W932 HydrophobicContact CG-CZ2 4.03Å; W592-W932 HydrophobicContact CG-CZ3 4.37Å; W592-W932 AromaticContact NE1-CH2 4Å
593	N	90	Very high	77.5	Confident	35 Å²	35	52.2 Å²	52.2	19%	0.187	26%	0.257	C	S	.	.			trans	-117	15.8	-173.2	66.7	-19	0	0	0	113.1	F587 S595 W941	F587-N593 WeakPolarHBondContact O-CA 3.36Å; N593-S595 PolarHBondContact O-N 3.06Å; N593-S595 WeakPolarHBondContact OD1-CB 3.45Å; N593-S595 PolarHBondContact OD1-N 3.37Å; N593-S595 VanDerWaalsContact OD1-N 3.11Å; N593-S595 PolarHBondContact OD1-OG 3.4Å; N593-S595 VanDerWaalsContact OD1-OG 3.04Å; N593-W941 VanDerWaalsContact OD1-CH2 3.32Å; N593-W941 WeakPolarHBondContact OD1-CH2 3.38Å; N593-W941 VanDerWaalsContact OD1-CZ3 3.32Å; N593-W941 WeakPolarHBondContact OD1-CZ3 3.49Å
594	C	88.3	Confident	75.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	26%	0.257	C	S	.	.	S	Bend	trans	62	15.1	-173.3	-148.8	0	0	0	0	116.2	C583 Q584 W592 T596 T597	C583-C594 HydrophobicContact CB-CB 3.84Å; C583-C594 WeakPolarHBondContact CB-SG 3.46Å; C583-C594 WeakPolarHBondContact SG-CB 3.29Å; C583-C594 CovalentContact SG-SG 2.04Å; C583-C594 PolarHBondContact SG-SG 3.02Å; Q584-C594 HydrophobicContact CG-CB 4.08Å; W592-C594 HydrophobicContact CH2-CB 3.74Å; W592-C594 WeakPolarHBondContact CH2-SG 3.47Å; W592-C594 HydrophobicContact CZ2-CB 3.88Å; W592-C594 HydrophobicContact CZ3-CB 4.15Å; C594-T596 PolarHBondContact O-N 2.94Å; C594-T597 PolarHBondContact O-OG1 3Å
595	S	76.8	Confident	73.9	Confident	41 Å²	41	52.8 Å²	52.8	29%	0.287	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	9.6	173.4	82.6	0	0	0	0	114.4	N593 T597 N598	N593-S595 PolarHBondContact O-N 3.06Å; N593-S595 WeakPolarHBondContact OD1-CB 3.45Å; N593-S595 PolarHBondContact OD1-N 3.37Å; N593-S595 VanDerWaalsContact OD1-N 3.11Å; N593-S595 PolarHBondContact OD1-OG 3.4Å; N593-S595 VanDerWaalsContact OD1-OG 3.04Å; S595-T597 PolarHBondContact O-N 2.89Å; S595-N598 PolarHBondContact O-OD1 3.47Å
596	T	59	Low	72.2	Confident	26 Å²	26	51.3 Å²	51.3	16%	0.16	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.4	173.6	45.5	0	0	0	0	113.2	W592 C594 N598 W941	W592-T596 PolarHBondContact NE1-OG1 3.2Å; C594-T596 PolarHBondContact O-N 2.94Å; T596-N598 PolarHBondContact O-N 3.35Å; T596-N598 VanDerWaalsContact O-N 3.14Å; T596-W941 HydrophobicContact CG2-CB 4.48Å; T596-W941 HydrophobicContact CG2-CD2 4.35Å; T596-W941 HydrophobicContact CG2-CE3 3.47Å; T596-W941 VanDerWaalsContact CG2-CE3 3.47Å; T596-W941 HydrophobicContact CG2-CZ3 4.17Å
597	T	57.4	Low	70.6	Confident	31 Å²	31	52.2 Å²	52.2	19%	0.19	27%	0.269	C	S	.	.			trans	-87.3	58.8	178.3	61.2	0	0	0	0	111	I580 C594 S595	I580-T597 WeakPolarHBondContact CG2-OG1 3.4Å; C594-T597 PolarHBondContact O-OG1 3Å; S595-T597 PolarHBondContact O-N 2.89Å
598	N	52.3	Low	69.2	Low	145 Å²	145	56 Å²	56	78%	0.775	30%	0.296	S	S	*	.			trans	-71.1	-17.4	165.4	-75.9	11.6	0	0	0	111.3	S595 T596 E600	S595-N598 PolarHBondContact O-OD1 3.47Å; T596-N598 PolarHBondContact O-N 3.35Å; T596-N598 VanDerWaalsContact O-N 3.14Å; N598-E600 PolarHBondContact O-N 3.39Å
599	D	50.4	Low	68.7	Low	84 Å²	84	52.2 Å²	52.2	45%	0.449	28%	0.28	S	S	.	.	S	Bend	trans	-62.5	111.6	161.9	-67.2	-9.4	0	0	0	109.1	T601	D599-T601 PolarHBondContact O-N 3.46Å
600	E	53	Low	68.5	Low	177 Å²	177	49.5 Å²	49.5	83%	0.827	27%	0.266	S	S	*	.	S	Bend	trans	-57.1	-13.2	175.6	-61.6	168.4	166.3	0	0	113.6	N598	N598-E600 PolarHBondContact O-N 3.39Å
601	T	56.8	Low	68.5	Low	44 Å²	44	46.8 Å²	46.8	27%	0.27	26%	0.256	S	S	.	.			trans	-114.4	105.8	-176.1	65	0	0	0	0	111.9	D599 F603 G604	D599-T601 PolarHBondContact O-N 3.46Å; T601-F603 PolarHBondContact O-N 3.3Å; T601-G604 PolarHBondContact O-N 2.79Å
602	V	57.4	Low	68.5	Low	8 Å²	8	43 Å²	43	5%	0.048	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.3	170.9	-174.3	0	0	0	0	112.4	A576 I580 M606 I617 A621	A576-V602 HydrophobicContact CB-CB 4.15Å; A576-V602 HydrophobicContact CB-CG2 3.94Å; A576-V602 WeakPolarHBondContact O-CG2 3.31Å; I580-V602 HydrophobicContact CD1-CG2 3.64Å; I580-V602 HydrophobicContact CG1-CG2 3.52Å; V602-M606 HydrophobicContact CG1-SD 4.49Å; V602-M606 VanDerWaalsContact O-CE 3.3Å; V602-M606 WeakPolarHBondContact O-CE 3.02Å; V602-I617 HydrophobicContact CG1-CG2 4.42Å; V602-A621 HydrophobicContact CG1-CB 3.47Å; V602-A621 VanDerWaalsContact CG1-CB 3.47Å
603	F	59.1	Low	68.5	Low	19 Å²	19	43 Å²	43	8%	0.083	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.3	176	-47.4	-64.9	0	0	0	114.2	L554 I572 A576 T601 V625 F675 I676 R679	L554-F603 HydrophobicContact CD2-CB 4.15Å; L554-F603 HydrophobicContact CD2-CD2 4.37Å; I572-F603 HydrophobicContact CG2-CE1 4.48Å; I572-F603 HydrophobicContact CG2-CE2 3.55Å; I572-F603 HydrophobicContact CG2-CZ 3.47Å; I572-F603 VanDerWaalsContact CG2-CZ 3.47Å; A576-F603 HydrophobicContact CB-CE2 3.79Å; A576-F603 HydrophobicContact CB-CZ 3.95Å; T601-F603 PolarHBondContact O-N 3.3Å; F603-V625 HydrophobicContact CE1-CG2 4.07Å; F603-V625 HydrophobicContact CZ-CG2 3.72Å; F603-F675 HydrophobicContact CD1-CE1 4.18Å; F603-F675 HydrophobicContact CD2-CE1 4.28Å; F603-F675 HydrophobicContact CE1-CE1 4.18Å; F603-F675 HydrophobicContact CE2-CE1 4.28Å; F603-F675 HydrophobicContact CG-CE1 4.23Å; F603-F675 HydrophobicContact CZ-CE1 4.23Å; F603-I676 HydrophobicContact CE1-CD1 4.44Å; F603-I676 HydrophobicContact CE1-CG1 4.16Å; F603-R679 PolarHBondContact O-NH1 3.28Å
604	G	57.4	Low	68.6	Low	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-68.8	-173.5	179.4	0	0	0	0	0	114.2	T601 M606 R679	T601-G604 PolarHBondContact O-N 2.79Å; G604-M606 PolarHBondContact O-N 2.69Å; G604-R679 VanDerWaalsContact O-CZ 3.25Å; G604-R679 PolarHBondContact O-NH1 3.43Å
605	P	51.9	Low	68.9	Low	87 Å²	87	41.6 Å²	41.6	57%	0.565	24%	0.235	S	C	*	.			trans	-74.8	64.5	175	34.6	-35.3	0	0	0	111.8	T607 R679	P605-T607 PolarHBondContact O-N 3.15Å; P605-R679 VanDerWaalsContact CA-NH2 3.29Å
606	M	57.7	Low	69.7	Low	42 Å²	42	39.7 Å²	39.7	21%	0.207	22%	0.222	C	C	.	.			trans	-42.9	137.1	168.6	-70.6	-172.3	-76	0	0	110.4	V602 G604 I617 H618	V602-M606 HydrophobicContact CG1-SD 4.49Å; V602-M606 VanDerWaalsContact O-CE 3.3Å; V602-M606 WeakPolarHBondContact O-CE 3.02Å; G604-M606 PolarHBondContact O-N 2.69Å; M606-I617 HydrophobicContact SD-CB 4.41Å; M606-I617 HydrophobicContact SD-CG2 3.47Å; M606-I617 WeakPolarHBondContact SD-CG2 3.04Å; M606-H618 VanDerWaalsContact CE-CE1 3.47Å; M606-H618 WeakPolarHBondContact CE-CE1 3.28Å; M606-H618 VanDerWaalsContact CE-NE2 3.34Å; M606-H618 WeakPolarHBondContact CE-NE2 3.49Å
607	T	61	Low	71.3	Confident	43 Å²	43	39 Å²	39	26%	0.264	22%	0.217	S	C	.	.			trans	-46.7	155.2	-154.2	70.3	0	0	0	0	115.1	P605 L609 M614	P605-T607 PolarHBondContact O-N 3.15Å; T607-L609 PolarHBondContact O-N 2.88Å; T607-L609 WeakPolarHBondContact OG1-CB 3.43Å; T607-M614 PolarHBondContact OG1-SD 3.46Å
608	S	66.1	Low	73	Confident	80 Å²	80	38.2 Å²	38.2	56%	0.559	21%	0.211	S	C	*	.	S	Bend	trans	-68.1	8.4	179.6	94.1	0	0	0	0	115.1	R831 R839	S608-R831 PolarHBondContact O-NH1 2.83Å; S608-R831 PolarHBondContact O-NH2 2.95Å; S608-R831 PolarHBondContact OG-NH1 3.08Å; S608-R839 VanDerWaalsContact C-NH2 3.26Å; S608-R839 VanDerWaalsContact CA-NH2 3.35Å; S608-R839 PolarHBondContact O-NH2 3.1Å
609	L	79.2	Confident	75.1	Confident	21 Å²	21	31.3 Å²	31.3	11%	0.11	17%	0.174	C	C	.	.			trans	-66.4	160.8	166.2	-166.2	58.7	0	0	0	111	T607 A611 M614 R839 P930 W932	T607-L609 PolarHBondContact O-N 2.88Å; T607-L609 WeakPolarHBondContact OG1-CB 3.43Å; L609-A611 HydrophobicContact CD1-CB 3.88Å; L609-A611 HydrophobicContact CD2-CB 3.84Å; L609-A611 HydrophobicContact CG-CB 3.63Å; L609-M614 HydrophobicContact CB-CG 4.08Å; L609-M614 HydrophobicContact CD2-CE 4.5Å; L609-M614 HydrophobicContact CD2-CG 4.32Å; L609-M614 HydrophobicContact CG-CG 4.33Å; L609-R839 PolarHBondContact O-NE 3.04Å; L609-P930 HydrophobicContact CD2-CG 4.19Å; L609-W932 HydrophobicContact CD2-CH2 3.96Å; L609-W932 HydrophobicContact CD2-CZ2 3.96Å
610	A	88	Confident	77.3	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.008	15%	0.153	C	C	.	.			trans	-142.6	40.7	170.1	0	0	0	0	0	111	R839 M842 L926 D927	A610-R839 HydrophobicContact CB-CG 4.41Å; A610-M842 HydrophobicContact CB-CE 3.91Å; A610-M842 HydrophobicContact CB-SD 3.91Å; A610-L926 HydrophobicContact CB-CB 3.88Å; A610-L926 HydrophobicContact CB-CD1 4.1Å; A610-L926 PolarHBondContact O-N 3.36Å; A610-D927 HydrophobicContact CB-CB 4.28Å; A610-D927 WeakPolarHBondContact CB-OD2 3.46Å; A610-D927 PolarHBondContact N-OD2 3.44Å; A610-D927 PolarHBondContact O-N 2.77Å
611	A	91.6	Very high	79.2	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-91.2	170.2	-177.4	0	0	0	0	0	111.9	L609 E613 M614 A615 D927	L609-A611 HydrophobicContact CD1-CB 3.88Å; L609-A611 HydrophobicContact CD2-CB 3.84Å; L609-A611 HydrophobicContact CG-CB 3.63Å; A611-E613 WeakPolarHBondContact CB-OE2 3.12Å; A611-E613 PolarHBondContact O-N 3.01Å; A611-E613 VanDerWaalsContact O-N 3.13Å; A611-M614 PolarHBondContact O-N 3.46Å; A611-M614 VanDerWaalsContact O-N 3.11Å; A611-A615 PolarHBondContact O-N 3.44Å; A611-D927 WeakPolarHBondContact CA-O 3.3Å
612	P	94.1	Very high	81.1	Confident	12 Å²	12	17 Å²	17	8%	0.078	10%	0.103	C	C	.	.	H	α-helix	trans	-52.4	-34	-177.8	-27.6	35.6	0	0	0	114.8	M614 A615 F616 Y894 Y925	P612-M614 VanDerWaalsContact C-N 3.34Å; P612-M614 PolarHBondContact O-N 2.88Å; P612-A615 WeakPolarHBondContact O-CB 3.5Å; P612-A615 PolarHBondContact O-N 3.23Å; P612-A615 VanDerWaalsContact O-N 3.13Å; P612-F616 PolarHBondContact O-N 2.91Å; P612-Y894 HydrophobicContact CB-CD2 3.97Å; P612-Y894 HydrophobicContact CB-CE2 3.55Å; P612-Y894 WeakPolarHBondContact O-CD2 3.36Å; P612-Y925 HydrophobicContact CB-CD1 4.45Å; P612-Y925 HydrophobicContact CG-CD1 3.75Å; P612-Y925 HydrophobicContact CG-CD2 3.91Å; P612-Y925 HydrophobicContact CG-CE1 3.84Å; P612-Y925 HydrophobicContact CG-CE2 3.98Å; P612-Y925 HydrophobicContact CG-CG 3.76Å
613	E	91.9	Very high	83	Confident	5 Å²	5	16.7 Å²	16.7	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-42.6	-179.4	-59.9	84.4	170.7	0	0	111.2	W592 A611 F616 I617 Y894 S929 W932	W592-E613 HydrophobicContact CD2-CB 4.16Å; W592-E613 HydrophobicContact CD2-CG 3.95Å; W592-E613 HydrophobicContact CE3-CB 3.86Å; W592-E613 HydrophobicContact CE3-CG 3.6Å; W592-E613 HydrophobicContact CH2-CB 3.88Å; W592-E613 HydrophobicContact CZ2-CB 4.18Å; W592-E613 HydrophobicContact CZ3-CB 3.72Å; W592-E613 HydrophobicContact CZ3-CG 3.94Å; A611-E613 WeakPolarHBondContact CB-OE2 3.12Å; A611-E613 PolarHBondContact O-N 3.01Å; A611-E613 VanDerWaalsContact O-N 3.13Å; E613-F616 PolarHBondContact O-N 3.31Å; E613-I617 WeakPolarHBondContact O-CG1 3.38Å; E613-I617 PolarHBondContact O-N 2.9Å; E613-I617 VanDerWaalsContact O-N 3.1Å; E613-Y894 HydrophobicContact CG-CE2 4.34Å; E613-S929 VanDerWaalsContact CD-OG 3.3Å; E613-S929 WeakPolarHBondContact OE1-CB 3.32Å; E613-S929 PolarHBondContact OE1-OG 3.05Å; E613-S929 PolarHBondContact OE2-OG 2.83Å; E613-W932 HydrophobicContact CB-CZ2 4.5Å; E613-W932 HydrophobicContact CG-CZ2 4.06Å; E613-W932 PolarHBondContact OE1-NE1 2.68Å
614	M	90.7	Very high	84.7	Confident	8 Å²	8	15.8 Å²	15.8	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-70.8	-33	175.2	-59.8	-63	116	0	0	111.5	W592 T607 L609 A611 P612 F616 I617 H618	W592-M614 HydrophobicContact CZ2-CE 4.27Å; T607-M614 PolarHBondContact OG1-SD 3.46Å; L609-M614 HydrophobicContact CB-CG 4.08Å; L609-M614 HydrophobicContact CD2-CE 4.5Å; L609-M614 HydrophobicContact CD2-CG 4.32Å; L609-M614 HydrophobicContact CG-CG 4.33Å; A611-M614 PolarHBondContact O-N 3.46Å; A611-M614 VanDerWaalsContact O-N 3.11Å; P612-M614 VanDerWaalsContact C-N 3.34Å; P612-M614 PolarHBondContact O-N 2.88Å; M614-F616 VanDerWaalsContact C-N 3.34Å; M614-I617 HydrophobicContact CE-CD1 3.75Å; M614-I617 PolarHBondContact O-N 3.2Å; M614-I617 HydrophobicContact SD-CD1 4.17Å; M614-H618 WeakPolarHBondContact O-CB 3.29Å; M614-H618 PolarHBondContact O-CD2 3.37Å; M614-H618 PolarHBondContact O-N 3.13Å
615	A	94.1	Very high	86.5	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-40.5	174.7	0	0	0	0	0	111.9	A611 P612 A619 N846 L923 I924	A611-A615 PolarHBondContact O-N 3.44Å; P612-A615 WeakPolarHBondContact O-CB 3.5Å; P612-A615 PolarHBondContact O-N 3.23Å; P612-A615 VanDerWaalsContact O-N 3.13Å; A615-A619 PolarHBondContact O-N 3.39Å; A615-N846 WeakPolarHBondContact CA-ND2 3.33Å; A615-N846 WeakPolarHBondContact CB-ND2 3.44Å; A615-L923 HydrophobicContact CB-CB 4.42Å; A615-I924 WeakPolarHBondContact CB-O 3.23Å
616	F	95.2	Very high	88.7	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.8	-46.8	173.3	176.1	-90.2	0	0	0	112.3	C583 Q586 F587 P612 E613 M614 H618 A619 L620 L890 R891 Y894 L923	C583-F616 HydrophobicContact CB-CE1 4.22Å; Q586-F616 HydrophobicContact CB-CZ 4.19Å; Q586-F616 HydrophobicContact CG-CZ 4.14Å; F587-F616 HydrophobicContact CD2-CD1 4.39Å; F587-F616 HydrophobicContact CD2-CE1 4.14Å; F587-F616 AromaticContact CE2-CD1 3.59Å; F587-F616 HydrophobicContact CE2-CD1 3.59Å; F587-F616 HydrophobicContact CE2-CD2 4.28Å; F587-F616 AromaticContact CE2-CE1 3.61Å; F587-F616 HydrophobicContact CE2-CE1 3.61Å; F587-F616 HydrophobicContact CE2-CE2 4.28Å; F587-F616 AromaticContact CE2-CG 3.95Å; F587-F616 HydrophobicContact CE2-CG 3.95Å; F587-F616 AromaticContact CE2-CZ 3.96Å; F587-F616 HydrophobicContact CE2-CZ 3.96Å; F587-F616 HydrophobicContact CZ-CD1 4.29Å; F587-F616 HydrophobicContact CZ-CG 4.3Å; P612-F616 PolarHBondContact O-N 2.91Å; E613-F616 PolarHBondContact O-N 3.31Å; M614-F616 VanDerWaalsContact C-N 3.34Å; F616-H618 PolarHBondContact O-N 2.82Å; F616-A619 PolarHBondContact O-N 3.35Å; F616-L620 HydrophobicContact CE1-CB 4.24Å; F616-L620 HydrophobicContact CE1-CD2 3.6Å; F616-L620 HydrophobicContact CZ-CB 4.43Å; F616-L620 HydrophobicContact CZ-CD2 3.84Å; F616-L620 WeakPolarHBondContact O-CB 3.42Å; F616-L620 PolarHBondContact O-N 3.17Å; F616-L890 HydrophobicContact CD2-CB 4.15Å; F616-L890 HydrophobicContact CE2-CB 3.79Å; F616-R891 HydrophobicContact CE2-CB 4.14Å; F616-Y894 HydrophobicContact CB-CD2 3.76Å; F616-Y894 HydrophobicContact CB-CG 4.36Å; F616-Y894 HydrophobicContact CG-CD2 4.49Å; F616-L923 HydrophobicContact CB-CD1 4.37Å
617	I	92.9	Very high	90.5	Very high	11 Å²	11	9.6 Å²	9.6	6%	0.056	6%	0.06	C	C	.	.	H	α-helix	trans	-59.3	-46.4	178.5	-64.2	160.6	0	0	0	111.1	W592 V602 M606 E613 M614 A619 L620 A621	W592-I617 HydrophobicContact CH2-CD1 3.65Å; W592-I617 HydrophobicContact CH2-CG1 3.96Å; W592-I617 HydrophobicContact CZ2-CD1 3.68Å; W592-I617 HydrophobicContact CZ2-CG1 4.47Å; V602-I617 HydrophobicContact CG1-CG2 4.42Å; M606-I617 HydrophobicContact SD-CB 4.41Å; M606-I617 HydrophobicContact SD-CG2 3.47Å; M606-I617 WeakPolarHBondContact SD-CG2 3.04Å; E613-I617 WeakPolarHBondContact O-CG1 3.38Å; E613-I617 PolarHBondContact O-N 2.9Å; E613-I617 VanDerWaalsContact O-N 3.1Å; M614-I617 HydrophobicContact CE-CD1 3.75Å; M614-I617 PolarHBondContact O-N 3.2Å; M614-I617 HydrophobicContact SD-CD1 4.17Å; I617-A619 VanDerWaalsContact C-N 3.31Å; I617-A619 PolarHBondContact O-N 3.5Å; I617-L620 PolarHBondContact O-N 2.69Å; I617-A621 VanDerWaalsContact O-CB 3.22Å; I617-A621 WeakPolarHBondContact O-CB 3.39Å; I617-A621 PolarHBondContact O-N 2.82Å
618	H	92.8	Very high	92.2	Very high	15 Å²	15	9.3 Å²	9.3	7%	0.069	6%	0.055	C	C	.	.	H	α-helix	trans	-57.7	-42.8	177.9	-94.4	-82.3	0	0	0	112.6	M606 M614 F616 A622 E680 N843 N846 N847	M606-H618 VanDerWaalsContact CE-CE1 3.47Å; M606-H618 WeakPolarHBondContact CE-CE1 3.28Å; M606-H618 VanDerWaalsContact CE-NE2 3.34Å; M606-H618 WeakPolarHBondContact CE-NE2 3.49Å; M614-H618 WeakPolarHBondContact O-CB 3.29Å; M614-H618 PolarHBondContact O-CD2 3.37Å; M614-H618 PolarHBondContact O-N 3.13Å; F616-H618 PolarHBondContact O-N 2.82Å; H618-A622 WeakPolarHBondContact O-CB 3.27Å; H618-A622 PolarHBondContact O-N 3.16Å; H618-E680 IonicContact CE1-OE1 2.65Å; H618-N843 PolarHBondContact CE1-ND2 3.17Å; H618-N843 VanDerWaalsContact NE2-CG 3.26Å; H618-N843 PolarHBondContact NE2-ND2 3.25Å; H618-N843 PolarHBondContact NE2-OD1 3.05Å; H618-N846 HydrophobicContact CB-CB 3.98Å; H618-N847 PolarHBondContact ND1-OD1 2.83Å; H618-N847 PolarHBondContact O-OD1 2.03Å
619	A	96.5	Very high	93.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.7	-46.4	176.6	0	0	0	0	0	112.4	A615 F616 I617 A622 A623 N846 G850 L890 L923	A615-A619 PolarHBondContact O-N 3.39Å; F616-A619 PolarHBondContact O-N 3.35Å; I617-A619 VanDerWaalsContact C-N 3.31Å; I617-A619 PolarHBondContact O-N 3.5Å; A619-A622 PolarHBondContact O-N 2.74Å; A619-A623 WeakPolarHBondContact O-CB 3.22Å; A619-A623 PolarHBondContact O-N 3.37Å; A619-N846 VanDerWaalsContact CA-O 3.26Å; A619-N846 WeakPolarHBondContact CA-O 3.04Å; A619-N846 VanDerWaalsContact CB-O 3.27Å; A619-N846 WeakPolarHBondContact CB-O 3.45Å; A619-G850 WeakPolarHBondContact O-CA 3.42Å; A619-L890 HydrophobicContact CB-CD1 4.25Å; A619-L890 HydrophobicContact CB-CD2 3.94Å; A619-L923 HydrophobicContact CB-CD1 4.49Å; A619-L923 HydrophobicContact CB-CD2 3.54Å
620	L	95.6	Very high	94.5	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-64.2	-44.2	-179.2	-177.2	62	0	0	0	111.4	A579 E582 C583 F616 I617 A622 A623 T624 L890	A579-L620 HydrophobicContact CB-CG 4.33Å; A579-L620 VanDerWaalsContact O-CD2 3.3Å; A579-L620 WeakPolarHBondContact O-CD2 3.37Å; E582-L620 HydrophobicContact CB-CD2 4.19Å; E582-L620 HydrophobicContact CG-CD1 4.34Å; E582-L620 HydrophobicContact CG-CD2 4.33Å; C583-L620 HydrophobicContact CB-CD2 3.89Å; F616-L620 HydrophobicContact CE1-CB 4.24Å; F616-L620 HydrophobicContact CE1-CD2 3.6Å; F616-L620 HydrophobicContact CZ-CB 4.43Å; F616-L620 HydrophobicContact CZ-CD2 3.84Å; F616-L620 WeakPolarHBondContact O-CB 3.42Å; F616-L620 PolarHBondContact O-N 3.17Å; I617-L620 PolarHBondContact O-N 2.69Å; L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 PolarHBondContact O-N 3.04Å; L620-A623 WeakPolarHBondContact O-CB 3.38Å; L620-A623 PolarHBondContact O-N 3.4Å; L620-A623 VanDerWaalsContact O-N 3.12Å; L620-T624 HydrophobicContact CD1-CG2 3.96Å; L620-T624 HydrophobicContact CG-CG2 4.28Å; L620-T624 WeakPolarHBondContact O-CG2 2.81Å; L620-T624 PolarHBondContact O-N 3.49Å; L620-T624 PolarHBondContact O-OG1 3.21Å; L620-L890 HydrophobicContact CB-CD1 4.2Å; L620-L890 HydrophobicContact CD1-CD1 4.16Å
621	A	93.3	Very high	94.8	Very high	5 Å²	5	5.2 Å²	5.2	4%	0.041	3%	0.025	C	C	.	.	H	α-helix	trans	-60.2	-41.2	175.9	0	0	0	0	0	112.5	A579 V602 I617 A623 T624 V625	A579-A621 HydrophobicContact CB-CB 4.49Å; V602-A621 HydrophobicContact CG1-CB 3.47Å; V602-A621 VanDerWaalsContact CG1-CB 3.47Å; I617-A621 VanDerWaalsContact O-CB 3.22Å; I617-A621 WeakPolarHBondContact O-CB 3.39Å; I617-A621 PolarHBondContact O-N 2.82Å; A621-A623 VanDerWaalsContact C-N 3.34Å; A621-T624 PolarHBondContact O-OG1 2.8Å; A621-V625 WeakPolarHBondContact O-CB 3.25Å; A621-V625 WeakPolarHBondContact O-CG2 3.39Å; A621-V625 PolarHBondContact O-N 3.39Å
622	A	96.2	Very high	94.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-69.8	-32.3	175.4	0	0	0	0	0	112.6	H618 A619 L620 T626 I676 N847 R851	H618-A622 WeakPolarHBondContact O-CB 3.27Å; H618-A622 PolarHBondContact O-N 3.16Å; A619-A622 PolarHBondContact O-N 2.74Å; L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 PolarHBondContact O-N 3.04Å; A622-T626 WeakPolarHBondContact O-CB 3.39Å; A622-T626 PolarHBondContact O-N 2.86Å; A622-T626 PolarHBondContact O-OG1 3.42Å; A622-I676 HydrophobicContact CB-CD1 4.15Å; A622-N847 HydrophobicContact CB-CB 3.97Å; A622-N847 WeakPolarHBondContact CB-O 3.4Å; A622-R851 HydrophobicContact CB-CG 4.21Å
623	A	97.5	Very high	95	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-71.5	-52.3	176.5	0	0	0	0	0	112.4	A619 L620 A621 T626 S627 G850 V854 I886 L890	A619-A623 WeakPolarHBondContact O-CB 3.22Å; A619-A623 PolarHBondContact O-N 3.37Å; L620-A623 WeakPolarHBondContact O-CB 3.38Å; L620-A623 PolarHBondContact O-N 3.4Å; L620-A623 VanDerWaalsContact O-N 3.12Å; A621-A623 VanDerWaalsContact C-N 3.34Å; A623-T626 PolarHBondContact O-N 3.41Å; A623-S627 PolarHBondContact O-N 3.41Å; A623-G850 WeakPolarHBondContact CB-O 3.43Å; A623-V854 VanDerWaalsContact CA-CG2 3.45Å; A623-V854 HydrophobicContact CB-CG2 3.65Å; A623-V854 VanDerWaalsContact O-CG2 3.25Å; A623-V854 WeakPolarHBondContact O-CG2 3.33Å; A623-I886 HydrophobicContact CB-CG2 3.84Å; A623-L890 HydrophobicContact CB-CD1 3.93Å
624	T	95.1	Very high	95.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.1	-44.9	-178.4	59.5	0	0	0	0	111.7	G575 A579 L620 A621 T626 S627 F628 I883	G575-T624 VanDerWaalsContact O-CB 3.23Å; G575-T624 WeakPolarHBondContact O-CB 3.47Å; G575-T624 PolarHBondContact O-OG1 2.69Å; A579-T624 HydrophobicContact CB-CG2 4.1Å; A579-T624 WeakPolarHBondContact CB-OG1 3.47Å; L620-T624 HydrophobicContact CD1-CG2 3.96Å; L620-T624 HydrophobicContact CG-CG2 4.28Å; L620-T624 WeakPolarHBondContact O-CG2 2.81Å; L620-T624 PolarHBondContact O-N 3.49Å; L620-T624 PolarHBondContact O-OG1 3.21Å; A621-T624 PolarHBondContact O-OG1 2.8Å; T624-T626 VanDerWaalsContact C-N 3.28Å; T624-T626 PolarHBondContact O-N 3.31Å; T624-S627 CarbonylContact O-C 3.6Å; T624-S627 WeakPolarHBondContact O-CB 3.36Å; T624-S627 PolarHBondContact O-N 3.09Å; T624-F628 WeakPolarHBondContact O-CD2 3.49Å; T624-F628 PolarHBondContact O-N 2.89Å; T624-I883 HydrophobicContact CG2-CD1 4.45Å; T624-I883 HydrophobicContact CG2-CG2 3.89Å
625	V	95.2	Very high	95.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.6	-39.9	178.1	172.5	0	0	0	0	111	I572 F603 A621 I629 A672 I676	I572-V625 HydrophobicContact CG1-CG1 4.16Å; I572-V625 HydrophobicContact CG2-CG1 4.33Å; F603-V625 HydrophobicContact CE1-CG2 4.07Å; F603-V625 HydrophobicContact CZ-CG2 3.72Å; A621-V625 WeakPolarHBondContact O-CB 3.25Å; A621-V625 WeakPolarHBondContact O-CG2 3.39Å; A621-V625 PolarHBondContact O-N 3.39Å; V625-I629 HydrophobicContact CG1-CD1 3.76Å; V625-I629 HydrophobicContact CG1-CG1 4.49Å; V625-I629 WeakPolarHBondContact O-CB 3.49Å; V625-I629 WeakPolarHBondContact O-CD1 3.43Å; V625-I629 WeakPolarHBondContact O-CG1 3.24Å; V625-I629 PolarHBondContact O-N 3.35Å; V625-I629 VanDerWaalsContact O-N 3.07Å; V625-A672 HydrophobicContact CG1-CB 4.45Å; V625-I676 HydrophobicContact CB-CD1 3.97Å; V625-I676 HydrophobicContact CG1-CD1 4.04Å; V625-I676 HydrophobicContact CG2-CD1 4.31Å
626	T	97.6	Very high	95.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.8	-45.4	172.4	-57.5	0	0	0	0	111.2	A622 A623 T624 A630 L665 A668 A672 V854	A622-T626 WeakPolarHBondContact O-CB 3.39Å; A622-T626 PolarHBondContact O-N 2.86Å; A622-T626 PolarHBondContact O-OG1 3.42Å; A623-T626 PolarHBondContact O-N 3.41Å; T624-T626 VanDerWaalsContact C-N 3.28Å; T624-T626 PolarHBondContact O-N 3.31Å; T626-A630 VanDerWaalsContact O-CB 3.32Å; T626-A630 WeakPolarHBondContact O-CB 3.18Å; T626-A630 PolarHBondContact O-N 3.22Å; T626-L665 HydrophobicContact CG2-CD2 4.25Å; T626-A668 HydrophobicContact CG2-CB 4.11Å; T626-A668 VanDerWaalsContact O-CB 3.27Å; T626-A668 WeakPolarHBondContact O-CB 3.49Å; T626-A672 VanDerWaalsContact OG1-CB 3.25Å; T626-A672 WeakPolarHBondContact OG1-CB 3.3Å; T626-V854 HydrophobicContact CG2-CG1 4.41Å; T626-V854 HydrophobicContact CG2-CG2 4.47Å
627	S	96.9	Very high	94.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-41.6	179.7	-172.5	0	0	0	0	113.3	A623 T624 A630 R631 L880	A623-S627 PolarHBondContact O-N 3.41Å; T624-S627 CarbonylContact O-C 3.6Å; T624-S627 WeakPolarHBondContact O-CB 3.36Å; T624-S627 PolarHBondContact O-N 3.09Å; S627-A630 PolarHBondContact O-N 2.96Å; S627-R631 WeakPolarHBondContact O-CG 3.22Å; S627-R631 PolarHBondContact O-N 3.41Å; S627-R631 VanDerWaalsContact O-N 3.08Å; S627-R631 PolarHBondContact OG-NH2 2.83Å; S627-L880 WeakPolarHBondContact OG-CD1 3.25Å
628	F	95.5	Very high	94.7	Very high	36 Å²	36	17.1 Å²	17.1	16%	0.158	10%	0.097	C	C	.	.	H	α-helix	trans	-74	-35.7	-178.6	-86.9	-103.6	0	0	0	112.2	A571 R574 A578 T624 A632 I883	A571-F628 WeakPolarHBondContact O-CB 3.35Å; R574-F628 HydrophobicContact CB-CD1 3.72Å; R574-F628 HydrophobicContact CB-CE1 3.8Å; A578-F628 HydrophobicContact CB-CE2 3.56Å; A578-F628 HydrophobicContact CB-CZ 3.59Å; T624-F628 WeakPolarHBondContact O-CD2 3.49Å; T624-F628 PolarHBondContact O-N 2.89Å; F628-A632 VanDerWaalsContact O-CB 3.27Å; F628-A632 WeakPolarHBondContact O-CB 3.5Å; F628-A632 PolarHBondContact O-N 3.12Å; F628-I883 HydrophobicContact CD2-CD1 4.3Å; F628-I883 HydrophobicContact CE2-CD1 3.95Å; F628-I883 HydrophobicContact CE2-CG1 4.01Å
629	I	96.2	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-42.1	171.6	-64.6	167.3	0	0	0	110.3	V568 A571 I572 V625 R631 A632 C633 L638 F667 A668 F671	V568-I629 HydrophobicContact CG1-CD1 4.04Å; V568-I629 HydrophobicContact CG1-CG1 3.92Å; V568-I629 HydrophobicContact CG1-CG2 4.29Å; A571-I629 HydrophobicContact CB-CG1 4.21Å; I572-I629 HydrophobicContact CG1-CD1 3.93Å; I572-I629 HydrophobicContact CG1-CG1 4.29Å; V625-I629 HydrophobicContact CG1-CD1 3.76Å; V625-I629 HydrophobicContact CG1-CG1 4.49Å; V625-I629 WeakPolarHBondContact O-CB 3.49Å; V625-I629 WeakPolarHBondContact O-CD1 3.43Å; V625-I629 WeakPolarHBondContact O-CG1 3.24Å; V625-I629 PolarHBondContact O-N 3.35Å; V625-I629 VanDerWaalsContact O-N 3.07Å; I629-R631 PolarHBondContact O-N 3.05Å; I629-A632 PolarHBondContact O-N 3.28Å; I629-C633 PolarHBondContact O-N 3.07Å; I629-C633 PolarHBondContact O-SG 3.14Å; I629-L638 HydrophobicContact CG2-CD1 4.14Å; I629-F667 HydrophobicContact CG2-CD1 3.77Å; I629-F667 HydrophobicContact CG2-CE1 3.7Å; I629-A668 HydrophobicContact CB-CB 3.88Å; I629-A668 HydrophobicContact CG2-CB 3.77Å; I629-F671 HydrophobicContact CD1-CB 4.32Å; I629-F671 HydrophobicContact CD1-CD1 3.76Å; I629-F671 HydrophobicContact CD1-CG 4.24Å
630	A	96.8	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-42.3	-179.9	0	0	0	0	0	112.6	T626 S627 C633 R634 D663 N664 A668 L880	T626-A630 VanDerWaalsContact O-CB 3.32Å; T626-A630 WeakPolarHBondContact O-CB 3.18Å; T626-A630 PolarHBondContact O-N 3.22Å; S627-A630 PolarHBondContact O-N 2.96Å; A630-C633 WeakPolarHBondContact O-CB 3.4Å; A630-C633 PolarHBondContact O-N 3.26Å; A630-R634 PolarHBondContact O-N 3.4Å; A630-R634 VanDerWaalsContact O-N 3.1Å; A630-D663 HydrophobicContact CB-CB 4.27Å; A630-N664 PolarHBondContact O-N 3.25Å; A630-A668 HydrophobicContact CB-CB 3.7Å; A630-L880 HydrophobicContact CB-CD1 3.76Å
631	R	94.5	Very high	94.2	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-44.4	173.1	-70.4	175.3	-167.7	158.4	1.8	112	S500 S627 I629 C633 R634 D635 D663 S881	S500-R631 PolarHBondContact OG-NH1 2.89Å; S627-R631 WeakPolarHBondContact O-CG 3.22Å; S627-R631 PolarHBondContact O-N 3.41Å; S627-R631 VanDerWaalsContact O-N 3.08Å; S627-R631 PolarHBondContact OG-NH2 2.83Å; I629-R631 PolarHBondContact O-N 3.05Å; R631-C633 PolarHBondContact O-N 3.5Å; R631-R634 CarbonylContact O-C 3.54Å; R631-R634 WeakPolarHBondContact O-CA 3.49Å; R631-R634 VanDerWaalsContact O-CB 3.24Å; R631-R634 WeakPolarHBondContact O-CB 3.36Å; R631-R634 PolarHBondContact O-N 3.35Å; R631-D635 WeakPolarHBondContact O-CB 3.32Å; R631-D635 PolarHBondContact O-N 3.47Å; R631-D663 WeakPolarHBondContact CA-OD1 3.49Å; R631-D663 VanDerWaalsContact CG-OD1 3.27Å; R631-D663 WeakPolarHBondContact CG-OD1 3.42Å; R631-S881 PolarHBondContact NH2-O 2.74Å
632	A	95.1	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-19.2	175.9	0	0	0	0	0	113.6	A571 F628 I629 Q637 L638	A571-A632 HydrophobicContact CB-CB 3.9Å; F628-A632 VanDerWaalsContact O-CB 3.27Å; F628-A632 WeakPolarHBondContact O-CB 3.5Å; F628-A632 PolarHBondContact O-N 3.12Å; I629-A632 PolarHBondContact O-N 3.28Å; A632-Q637 HydrophobicContact CB-CB 4.27Å; A632-Q637 PolarHBondContact O-N 3.37Å; A632-Q637 VanDerWaalsContact O-N 3.13Å; A632-L638 HydrophobicContact CB-CD1 3.68Å; A632-L638 HydrophobicContact CB-CG 3.74Å; A632-L638 PolarHBondContact O-N 2.9Å; A632-L638 VanDerWaalsContact O-N 3.12Å
633	C	95.8	Very high	94	Very high	1 Å²	1	29 Å²	29	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-80.8	-34.1	166.2	-64.4	0	0	0	0	114.2	I629 A630 R631 C641 S642 C643 N664 F667	I629-C633 PolarHBondContact O-N 3.07Å; I629-C633 PolarHBondContact O-SG 3.14Å; A630-C633 WeakPolarHBondContact O-CB 3.4Å; A630-C633 PolarHBondContact O-N 3.26Å; R631-C633 PolarHBondContact O-N 3.5Å; C633-C641 WeakPolarHBondContact CA-SG 3.32Å; C633-C641 HydrophobicContact CB-CB 3.83Å; C633-C641 WeakPolarHBondContact CB-SG 3.34Å; C633-C641 WeakPolarHBondContact SG-CB 3.31Å; C633-C641 CovalentContact SG-SG 2.03Å; C633-C641 PolarHBondContact SG-SG 2.81Å; C633-S642 CarbonylContact O-C 3.46Å; C633-C643 PolarHBondContact O-N 2.86Å; C633-N664 HydrophobicContact CB-CB 3.63Å; C633-F667 WeakPolarHBondContact SG-CD1 3.37Å
634	R	94.3	Very high	93.8	Very high	55 Å²	55	30.4 Å²	30.4	21%	0.208	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-50.6	171.1	-178.3	-164.5	73.1	161.9	2.3	110.2	E142 A630 R631 G636 C661	E142-R634 IonicContact OE2-CZ 2.86Å; E142-R634 IonicContact OE2-NH1 3.33Å; E142-R634 PolarHBondContact OE2-NH1 3.23Å; E142-R634 IonicContact OE2-NH2 3.7Å; A630-R634 PolarHBondContact O-N 3.4Å; A630-R634 VanDerWaalsContact O-N 3.1Å; R631-R634 CarbonylContact O-C 3.54Å; R631-R634 WeakPolarHBondContact O-CA 3.49Å; R631-R634 VanDerWaalsContact O-CB 3.24Å; R631-R634 WeakPolarHBondContact O-CB 3.36Å; R631-R634 PolarHBondContact O-N 3.35Å; R634-G636 PolarHBondContact O-N 3Å; R634-G636 VanDerWaalsContact O-N 3.12Å; R634-C661 PolarHBondContact O-SG 3.45Å
635	D	91.6	Very high	93.4	Very high	72 Å²	72	39.9 Å²	39.9	39%	0.385	23%	0.233	S	C	.	.	S	Bend	trans	-74.7	1.1	-173.8	-50.3	-23.1	0	0	0	113.6	R631 Q637	R631-D635 WeakPolarHBondContact O-CB 3.32Å; R631-D635 PolarHBondContact O-N 3.47Å; D635-Q637 HydrophobicContact CB-CG 3.98Å; D635-Q637 VanDerWaalsContact CB-NE2 3.25Å; D635-Q637 PolarHBondContact O-N 2.88Å; D635-Q637 VanDerWaalsContact O-N 3.12Å; D635-Q637 PolarHBondContact OD2-NE2 3.29Å
636	G	92.5	Very high	92.8	Very high	62 Å²	62	41.4 Å²	41.4	64%	0.639	25%	0.248	S	C	*	.	S	Bend	trans	69.9	2.2	-178.4	0	0	0	0	0	115.8	R634 L638	R634-G636 PolarHBondContact O-N 3Å; R634-G636 VanDerWaalsContact O-N 3.12Å; G636-L638 PolarHBondContact O-N 2.92Å
637	Q	89.6	Confident	92.3	Very high	89 Å²	89	46 Å²	46	42%	0.416	28%	0.28	S	S	.	.			trans	-62.2	-27.8	-179.4	-64.6	164.3	27.7	0	0	112.5	A632 D635	A632-Q637 HydrophobicContact CB-CB 4.27Å; A632-Q637 PolarHBondContact O-N 3.37Å; A632-Q637 VanDerWaalsContact O-N 3.13Å; D635-Q637 HydrophobicContact CB-CG 3.98Å; D635-Q637 VanDerWaalsContact CB-NE2 3.25Å; D635-Q637 PolarHBondContact O-N 2.88Å; D635-Q637 VanDerWaalsContact O-N 3.12Å; D635-Q637 PolarHBondContact OD2-NE2 3.29Å
638	L	90.3	Very high	92	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	29%	0.294	C	S	.	.			trans	-109.3	100.3	-177.6	-63	-177.3	0	0	0	112.6	S567 V568 I629 A632 G636 S640 C641	S567-L638 WeakPolarHBondContact O-CD2 3.31Å; V568-L638 HydrophobicContact CG1-CD1 4.19Å; V568-L638 HydrophobicContact CG2-CD1 4.46Å; V568-L638 HydrophobicContact CG2-CD2 4.29Å; I629-L638 HydrophobicContact CG2-CD1 4.14Å; A632-L638 HydrophobicContact CB-CD1 3.68Å; A632-L638 HydrophobicContact CB-CG 3.74Å; A632-L638 PolarHBondContact O-N 2.9Å; A632-L638 VanDerWaalsContact O-N 3.12Å; G636-L638 PolarHBondContact O-N 2.92Å; L638-S640 PolarHBondContact O-N 3.22Å; L638-C641 WeakPolarHBondContact CB-SG 3.11Å; L638-C641 PolarHBondContact O-N 2.96Å; L638-C641 VanDerWaalsContact O-N 3.1Å; L638-C641 PolarHBondContact O-SG 3.48Å
639	A	89.9	Confident	91.7	Very high	107 Å²	107	49.7 Å²	49.7	88%	0.884	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5	175.5	0	0	0	0	0	115.3
640	S	89.7	Confident	91.4	Very high	49 Å²	49	57.9 Å²	57.9	34%	0.343	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.5	175.2	51.5	0	0	0	0	114	L638	L638-S640 PolarHBondContact O-N 3.22Å
641	C	93.8	Very high	90.8	Very high	28 Å²	28	65.3 Å²	65.3	19%	0.189	37%	0.367	C	S	.	.			trans	-141.6	-175.3	178.9	49.9	0	0	0	0	111.4	C633 L638 F667	C633-C641 WeakPolarHBondContact CA-SG 3.32Å; C633-C641 HydrophobicContact CB-CB 3.83Å; C633-C641 WeakPolarHBondContact CB-SG 3.34Å; C633-C641 WeakPolarHBondContact SG-CB 3.31Å; C633-C641 CovalentContact SG-SG 2.03Å; C633-C641 PolarHBondContact SG-SG 2.81Å; L638-C641 WeakPolarHBondContact CB-SG 3.11Å; L638-C641 PolarHBondContact O-N 2.96Å; L638-C641 VanDerWaalsContact O-N 3.1Å; L638-C641 PolarHBondContact O-SG 3.48Å; C641-F667 HydrophobicContact CB-CB 4.23Å; C641-F667 HydrophobicContact CB-CD1 3.81Å; C641-F667 HydrophobicContact CB-CD2 3.85Å; C641-F667 HydrophobicContact CB-CE1 4.07Å; C641-F667 HydrophobicContact CB-CE2 4.1Å; C641-F667 HydrophobicContact CB-CG 3.69Å; C641-F667 HydrophobicContact CB-CZ 4.21Å
642	S	93.2	Very high	90.5	Very high	38 Å²	38	64.8 Å²	64.8	27%	0.266	37%	0.366	S	S	.	.			trans	-141.1	-179.3	174.8	64.9	0	0	0	0	109.3	C633 R645 N664	C633-S642 CarbonylContact O-C 3.46Å; S642-R645 PolarHBondContact OG-NE 3.08Å; S642-R645 PolarHBondContact OG-NH2 3.22Å; S642-N664 VanDerWaalsContact O-CB 3.3Å; S642-N664 WeakPolarHBondContact O-CB 3.25Å; S642-N664 PolarHBondContact O-ND2 2.69Å
643	C	93.4	Very high	90.1	Very high	47 Å²	47	67.9 Å²	67.9	32%	0.318	38%	0.38	S	S	.	.	S	Bend	trans	-42.9	153.6	158.1	-51.8	0	0	0	0	112	C633 C661	C633-C643 PolarHBondContact O-N 2.86Å; C643-C661 HydrophobicContact CB-CB 3.99Å; C643-C661 WeakPolarHBondContact CB-SG 3.25Å; C643-C661 WeakPolarHBondContact SG-CB 3.37Å; C643-C661 CovalentContact SG-SG 2.04Å; C643-C661 PolarHBondContact SG-SG 3.41Å
644	S	91.9	Very high	89.7	Confident	31 Å²	31	74.2 Å²	74.2	22%	0.217	41%	0.414	C	S	.	.			trans	-51.2	143.7	175.6	-170.4	0	0	0	0	112.5	G646 G662 D663	S644-G646 PolarHBondContact OG-N 3.41Å; S644-G662 WeakPolarHBondContact CB-O 3.47Å; S644-G662 PolarHBondContact N-O 3.45Å; S644-D663 WeakPolarHBondContact CB-O 3.33Å
645	R	86.9	Confident	89.3	Confident	199 Å²	199	77.1 Å²	77.1	75%	0.751	43%	0.433	S	S	*	.			trans	-112	17.7	172.5	-58	-177.5	-169.3	167.2	6.3	111.8	S642	S642-R645 PolarHBondContact OG-NE 3.08Å; S642-R645 PolarHBondContact OG-NH2 3.22Å
646	G	83.3	Confident	89.3	Confident	31 Å²	31	74.2 Å²	74.2	32%	0.32	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-55.6	136.6	176	0	0	0	0	0	111.4	S644 W658	S644-G646 PolarHBondContact OG-N 3.41Å; G646-W658 PolarHBondContact O-NE1 3.5Å
647	S	87.2	Confident	89.3	Confident	96 Å²	96	77.2 Å²	77.2	67%	0.671	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-66.5	152	175.1	-52.1	0	0	0	0	111.1
648	R	90.4	Very high	89.4	Confident	81 Å²	81	76.7 Å²	76.7	31%	0.306	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-48.9	129.4	171.8	178.1	-173.8	177.6	118.4	20.5	110.6	L652 H653 D654 W656 W658	R648-L652 HydrophobicContact CG-CD2 4.36Å; R648-L652 PolarHBondContact NH2-O 3.3Å; R648-H653 VanDerWaalsContact NH2-C 3.29Å; R648-H653 PolarHBondContact NH2-O 2.58Å; R648-D654 PolarHBondContact NH1-O 3.35Å; R648-D654 VanDerWaalsContact NH2-CA 3.3Å; R648-D654 PolarHBondContact NH2-O 2.8Å; R648-W656 PolarHBondContact NH1-O 3.29Å; R648-W656 PolarHBondContact NH2-O 2.64Å; R648-W658 HydrophobicContact CB-CB 3.99Å; R648-W658 HydrophobicContact CB-CD2 4.38Å; R648-W658 HydrophobicContact CB-CG 3.91Å; R648-W658 HydrophobicContact CG-CB 4.11Å; R648-W658 HydrophobicContact CG-CG 4.38Å
649	P	89.9	Confident	89.4	Confident	33 Å²	33	77.7 Å²	77.7	21%	0.214	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-62.3	135.5	173.2	-22	32.6	0	0	0	112	Q651 L652 W658 I860	P649-Q651 PolarHBondContact O-N 3.22Å; P649-L652 PolarHBondContact O-N 3.39Å; P649-W658 HydrophobicContact CG-CH2 4.07Å; P649-W658 HydrophobicContact CG-CZ3 4Å; P649-I860 HydrophobicContact CG-CD1 3.71Å; P649-I860 HydrophobicContact CG-CG1 4.14Å
650	K	88.6	Confident	89.3	Confident	173 Å²	173	75.7 Å²	75.7	75%	0.752	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.7	176.7	-66.1	-177.5	179.4	-179.5	0	114.2	E302	E302-K650 IonicContact OE1-NZ 3.87Å; E302-K650 PolarHBondContact OE1-NZ 2.95Å
651	Q	85.4	Confident	89.4	Confident	155 Å²	155	75.4 Å²	75.4	72%	0.724	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.7	-173.4	-66.8	153.5	-29.5	0	0	113.5	K131 P649	K131-Q651 WeakPolarHBondContact CE-O 3.47Å; K131-Q651 PolarHBondContact NZ-O 3.32Å; P649-Q651 PolarHBondContact O-N 3.22Å
652	L	87.1	Confident	89.3	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.037	40%	0.399	C	S	.	.	S	Bend	trans	-81.6	121.8	-174.1	-170.6	70.4	0	0	0	110.7	I133 R648 P649 D654 W656 W658 I860 C876	I133-L652 HydrophobicContact CD1-CD1 3.97Å; R648-L652 HydrophobicContact CG-CD2 4.36Å; R648-L652 PolarHBondContact NH2-O 3.3Å; P649-L652 PolarHBondContact O-N 3.39Å; L652-D654 PolarHBondContact O-N 2.87Å; L652-W656 HydrophobicContact CD1-CE3 3.62Å; L652-W656 HydrophobicContact CD1-CZ3 4.03Å; L652-W656 HydrophobicContact CG-CB 4.5Å; L652-W656 HydrophobicContact CG-CE3 4.34Å; L652-W658 HydrophobicContact CD2-CE3 3.93Å; L652-I860 HydrophobicContact CD1-CG2 4.17Å; L652-C876 HydrophobicContact CD1-CB 4.32Å; L652-C876 HydrophobicContact CD2-CB 4.05Å
653	H	87.6	Confident	89.3	Confident	65 Å²	65	72.5 Å²	72.5	30%	0.301	39%	0.387	S	S	.	.			trans	-46.3	125.4	-176.9	-175.8	-75.6	0	0	0	112.7	E127 R648 D655 W656	E127-H653 IonicContact OE1-CD2 2.76Å; E127-H653 PolarHBondContact OE1-CD2 2.93Å; E127-H653 IonicContact OE1-CG 3.4Å; E127-H653 IonicContact OE2-CD2 3.43Å; E127-H653 PolarHBondContact OE2-CD2 2.76Å; E127-H653 VanDerWaalsContact OE2-CD2 3.29Å; R648-H653 VanDerWaalsContact NH2-C 3.29Å; R648-H653 PolarHBondContact NH2-O 2.58Å; H653-D655 VanDerWaalsContact C-N 3.33Å; H653-D655 IonicContact CE1-OD2 3.34Å; H653-D655 PolarHBondContact CE1-OD2 2.9Å; H653-D655 IonicContact ND1-OD2 3.63Å; H653-D655 PolarHBondContact O-N 3.02Å; H653-D655 VanDerWaalsContact O-N 3.13Å; H653-W656 HydrophobicContact CB-CD2 3.95Å; H653-W656 HydrophobicContact CB-CG 4.04Å; H653-W656 HydrophobicContact CB-CZ2 4.18Å; H653-W656 AromaticContact CG-NE1 3.71Å; H653-W656 AromaticContact ND1-CD1 3.61Å; H653-W656 AromaticContact ND1-NE1 3.63Å; H653-W656 WeakPolarHBondContact O-CB 3.18Å; H653-W656 PolarHBondContact O-N 2.77Å
654	D	87	Confident	89.4	Confident	135 Å²	135	70.9 Å²	70.9	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-41.3	-160.4	-75.5	-49.6	0	0	0	114.6	R648 L652 W656	R648-D654 PolarHBondContact NH1-O 3.35Å; R648-D654 VanDerWaalsContact NH2-CA 3.3Å; R648-D654 PolarHBondContact NH2-O 2.8Å; L652-D654 PolarHBondContact O-N 2.87Å; D654-W656 PolarHBondContact O-N 3.11Å
655	D	87.1	Confident	89.5	Confident	115 Å²	115	70 Å²	70	62%	0.615	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.7	177.9	-68.3	-30.7	0	0	0	114.2	H653 K657	H653-D655 VanDerWaalsContact C-N 3.33Å; H653-D655 IonicContact CE1-OD2 3.34Å; H653-D655 PolarHBondContact CE1-OD2 2.9Å; H653-D655 IonicContact ND1-OD2 3.63Å; H653-D655 PolarHBondContact O-N 3.02Å; H653-D655 VanDerWaalsContact O-N 3.13Å; D655-K657 WeakPolarHBondContact O-CD 3.36Å; D655-K657 WeakPolarHBondContact O-CE 3.22Å; D655-K657 PolarHBondContact O-NZ 3.11Å
656	W	91.1	Very high	89.9	Confident	12 Å²	12	68 Å²	68	5%	0.045	37%	0.367	C	S	.	.	S	Bend	trans	-68.4	142.4	-176.9	-57	9.9	0	0	0	109.8	I124 M128 I133 R648 L652 H653 D654 I874	I124-W656 HydrophobicContact CG2-CZ2 4.07Å; M128-W656 HydrophobicContact CE-CH2 3.85Å; M128-W656 HydrophobicContact CE-CZ3 4.03Å; M128-W656 HydrophobicContact CG-CH2 3.94Å; M128-W656 HydrophobicContact CG-CZ2 4.49Å; M128-W656 HydrophobicContact SD-CH2 4.16Å; I133-W656 HydrophobicContact CD1-CH2 4.09Å; I133-W656 HydrophobicContact CD1-CZ3 3.55Å; I133-W656 HydrophobicContact CG2-CZ3 4.16Å; R648-W656 PolarHBondContact NH1-O 3.29Å; R648-W656 PolarHBondContact NH2-O 2.64Å; L652-W656 HydrophobicContact CD1-CE3 3.62Å; L652-W656 HydrophobicContact CD1-CZ3 4.03Å; L652-W656 HydrophobicContact CG-CB 4.5Å; L652-W656 HydrophobicContact CG-CE3 4.34Å; H653-W656 HydrophobicContact CB-CD2 3.95Å; H653-W656 HydrophobicContact CB-CG 4.04Å; H653-W656 HydrophobicContact CB-CZ2 4.18Å; H653-W656 AromaticContact CG-NE1 3.71Å; H653-W656 AromaticContact ND1-CD1 3.61Å; H653-W656 AromaticContact ND1-NE1 3.63Å; H653-W656 WeakPolarHBondContact O-CB 3.18Å; H653-W656 PolarHBondContact O-N 2.77Å; D654-W656 PolarHBondContact O-N 3.11Å; W656-I874 HydrophobicContact CB-CG2 3.77Å; W656-I874 VanDerWaalsContact CD1-CG2 3.44Å; W656-I874 HydrophobicContact CD2-CD1 4.06Å; W656-I874 HydrophobicContact CD2-CG2 3.8Å; W656-I874 HydrophobicContact CE3-CD1 3.91Å; W656-I874 HydrophobicContact CG-CG2 3.37Å; W656-I874 HydrophobicContact CH2-CD1 4.41Å; W656-I874 HydrophobicContact CZ3-CD1 4.08Å
657	K	91.6	Very high	90.4	Very high	125 Å²	125	68.6 Å²	68.6	54%	0.543	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.7	-174	-55	-49	-179.7	-140.7	0	111.6	D655 I874 T875 C876	D655-K657 WeakPolarHBondContact O-CD 3.36Å; D655-K657 WeakPolarHBondContact O-CE 3.22Å; D655-K657 PolarHBondContact O-NZ 3.11Å; K657-I874 PolarHBondContact N-O 2.88Å; K657-T875 CarbonylContact O-C 3.33Å; K657-T875 VanDerWaalsContact O-CA 3.3Å; K657-T875 WeakPolarHBondContact O-CA 3.08Å; K657-C876 PolarHBondContact O-N 2.83Å
658	W	93.1	Very high	90.9	Very high	77 Å²	77	64 Å²	64	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.9	169.5	-171.8	-114.7	0	0	0	109.2	G646 R648 P649 L652 I860 C876 Q878	G646-W658 PolarHBondContact O-NE1 3.5Å; R648-W658 HydrophobicContact CB-CB 3.99Å; R648-W658 HydrophobicContact CB-CD2 4.38Å; R648-W658 HydrophobicContact CB-CG 3.91Å; R648-W658 HydrophobicContact CG-CB 4.11Å; R648-W658 HydrophobicContact CG-CG 4.38Å; P649-W658 HydrophobicContact CG-CH2 4.07Å; P649-W658 HydrophobicContact CG-CZ3 4Å; L652-W658 HydrophobicContact CD2-CE3 3.93Å; W658-I860 HydrophobicContact CH2-CD1 3.87Å; W658-I860 HydrophobicContact CZ3-CD1 3.97Å; W658-I860 HydrophobicContact CZ3-CG2 4.15Å; W658-C876 HydrophobicContact CE3-CB 4.37Å; W658-Q878 HydrophobicContact CH2-CB 4.03Å; W658-Q878 VanDerWaalsContact CH2-N 3.35Å; W658-Q878 HydrophobicContact CZ2-CB 4.47Å
659	G	88.8	Confident	91.1	Very high	27 Å²	27	62.2 Å²	62.2	28%	0.278	32%	0.322	S	S	.	.			trans	174.6	-177.7	-172.8	0	0	0	0	0	113.4	T875 C876 W877	G659-T875 WeakPolarHBondContact O-CG2 3.3Å; G659-C876 PolarHBondContact N-O 3.18Å; G659-C876 CarbonylContact O-C 3.36Å; G659-W877 WeakPolarHBondContact O-CB 3.47Å
660	G	88	Confident	91.4	Very high	66 Å²	66	67.3 Å²	67.3	68%	0.68	34%	0.341	S	S	*	.	S	Bend	trans	85.3	-170.9	-166.3	0	0	0	0	0	112.1
661	C	91.7	Very high	91.8	Very high	42 Å²	42	59.8 Å²	59.8	28%	0.284	31%	0.309	S	S	.	.			trans	-108	98	-179.2	-170.9	0	0	0	0	110.6	R634 C643	R634-C661 PolarHBondContact O-SG 3.45Å; C643-C661 HydrophobicContact CB-CB 3.99Å; C643-C661 WeakPolarHBondContact CB-SG 3.25Å; C643-C661 WeakPolarHBondContact SG-CB 3.37Å; C643-C661 CovalentContact SG-SG 2.04Å; C643-C661 PolarHBondContact SG-SG 3.41Å
662	G	91.8	Very high	92.3	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	27%	0.274	C	S	.	.			trans	-83.2	159.6	174.6	0	0	0	0	0	113.6	S644 Q878	S644-G662 WeakPolarHBondContact CB-O 3.47Å; S644-G662 PolarHBondContact N-O 3.45Å; G662-Q878 CarbonylContact C-O 3.6Å; G662-Q878 WeakPolarHBondContact CA-O 3.5Å
663	D	94.2	Very high	92.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.281	C	S	.	.			trans	-66.2	129.2	179.8	-76.2	-62.6	0	0	0	112.9	A630 R631 S644 L665 Q878 Q879 L880	A630-D663 HydrophobicContact CB-CB 4.27Å; R631-D663 WeakPolarHBondContact CA-OD1 3.49Å; R631-D663 VanDerWaalsContact CG-OD1 3.27Å; R631-D663 WeakPolarHBondContact CG-OD1 3.42Å; S644-D663 WeakPolarHBondContact CB-O 3.33Å; D663-L665 VanDerWaalsContact C-N 3.33Å; D663-L665 PolarHBondContact O-N 2.91Å; D663-Q878 PolarHBondContact N-O 3.39Å; D663-Q879 WeakPolarHBondContact OD2-CA 3.34Å; D663-L880 HydrophobicContact CB-CD1 4.13Å; D663-L880 HydrophobicContact CB-CG 3.73Å; D663-L880 PolarHBondContact OD2-N 2.94Å
664	N	95.2	Very high	93	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.07	28%	0.283	C	S	.	.			trans	-83.5	75.3	-174.9	-163.3	-30.8	0	0	0	112.9	A630 C633 S642 E666 F667 A668	A630-N664 PolarHBondContact O-N 3.25Å; C633-N664 HydrophobicContact CB-CB 3.63Å; S642-N664 VanDerWaalsContact O-CB 3.3Å; S642-N664 WeakPolarHBondContact O-CB 3.25Å; S642-N664 PolarHBondContact O-ND2 2.69Å; N664-E666 VanDerWaalsContact C-N 3.33Å; N664-E666 PolarHBondContact O-N 2.8Å; N664-F667 WeakPolarHBondContact OD1-CB 3.47Å; N664-F667 PolarHBondContact OD1-N 2.85Å; N664-A668 WeakPolarHBondContact O-CB 3.46Å; N664-A668 PolarHBondContact O-N 3.47Å
665	L	93.9	Very high	93.3	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-36.4	176.4	-87.5	166.9	0	0	0	113.9	T626 D663 A668 Y669 V854 I855 A858 L880	T626-L665 HydrophobicContact CG2-CD2 4.25Å; D663-L665 VanDerWaalsContact C-N 3.33Å; D663-L665 PolarHBondContact O-N 2.91Å; L665-A668 PolarHBondContact O-N 2.7Å; L665-Y669 WeakPolarHBondContact O-CB 3.29Å; L665-Y669 PolarHBondContact O-N 2.95Å; L665-V854 HydrophobicContact CD2-CB 4.42Å; L665-V854 HydrophobicContact CD2-CG1 3.77Å; L665-I855 HydrophobicContact CD1-CG1 4.34Å; L665-I855 HydrophobicContact CD2-CG1 4.02Å; L665-A858 HydrophobicContact CD1-CB 3.83Å; L665-L880 HydrophobicContact CD1-CD2 3.83Å; L665-L880 HydrophobicContact CD2-CD2 3.94Å; L665-L880 HydrophobicContact CG-CD2 3.96Å
666	E	94.2	Very high	93.6	Very high	155 Å²	155	42.4 Å²	42.4	72%	0.724	22%	0.224	S	C	*	.	H	α-helix	trans	-63.2	-50.7	-177.2	-170.6	-166.3	165.8	0	0	111.4	N664 K670	N664-E666 VanDerWaalsContact C-N 3.33Å; N664-E666 PolarHBondContact O-N 2.8Å; E666-K670 WeakPolarHBondContact O-CB 3.45Å; E666-K670 PolarHBondContact O-N 3.4Å
667	F	95.3	Very high	93.7	Very high	45 Å²	45	42.1 Å²	42.1	20%	0.197	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-47.7	176.4	177.1	-91.8	0	0	0	111.2	I629 C633 C641 N664 K670 F671	I629-F667 HydrophobicContact CG2-CD1 3.77Å; I629-F667 HydrophobicContact CG2-CE1 3.7Å; C633-F667 WeakPolarHBondContact SG-CD1 3.37Å; C641-F667 HydrophobicContact CB-CB 4.23Å; C641-F667 HydrophobicContact CB-CD1 3.81Å; C641-F667 HydrophobicContact CB-CD2 3.85Å; C641-F667 HydrophobicContact CB-CE1 4.07Å; C641-F667 HydrophobicContact CB-CE2 4.1Å; C641-F667 HydrophobicContact CB-CG 3.69Å; C641-F667 HydrophobicContact CB-CZ 4.21Å; N664-F667 WeakPolarHBondContact OD1-CB 3.47Å; N664-F667 PolarHBondContact OD1-N 2.85Å; F667-K670 PolarHBondContact O-N 3.24Å; F667-F671 HydrophobicContact CE1-CD2 4.4Å; F667-F671 HydrophobicContact CZ-CD2 4.15Å; F667-F671 WeakPolarHBondContact O-CB 3.46Å; F667-F671 PolarHBondContact O-N 3.02Å
668	A	96.5	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-45.4	-173.9	0	0	0	0	0	113.3	T626 I629 A630 N664 L665 K670 F671 A672	T626-A668 HydrophobicContact CG2-CB 4.11Å; T626-A668 VanDerWaalsContact O-CB 3.27Å; T626-A668 WeakPolarHBondContact O-CB 3.49Å; I629-A668 HydrophobicContact CB-CB 3.88Å; I629-A668 HydrophobicContact CG2-CB 3.77Å; A630-A668 HydrophobicContact CB-CB 3.7Å; N664-A668 WeakPolarHBondContact O-CB 3.46Å; N664-A668 PolarHBondContact O-N 3.47Å; L665-A668 PolarHBondContact O-N 2.7Å; A668-K670 VanDerWaalsContact C-N 3.31Å; A668-K670 PolarHBondContact O-N 2.57Å; A668-F671 PolarHBondContact O-N 3.26Å; A668-A672 WeakPolarHBondContact O-CB 3.3Å; A668-A672 PolarHBondContact O-N 3.29Å
669	Y	96.1	Very high	93.4	Very high	42 Å²	42	36.4 Å²	36.4	17%	0.165	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-43.5	177	175.5	-81.7	0	0	0	110.6	L665 T673 E848 R851 I855	L665-Y669 WeakPolarHBondContact O-CB 3.29Å; L665-Y669 PolarHBondContact O-N 2.95Å; Y669-T673 VanDerWaalsContact O-CB 3.31Å; Y669-T673 WeakPolarHBondContact O-CB 3.39Å; Y669-T673 PolarHBondContact O-N 2.87Å; Y669-T673 PolarHBondContact O-OG1 2.98Å; Y669-E848 VanDerWaalsContact OH-CD 3.27Å; Y669-E848 PolarHBondContact OH-OE1 3.46Å; Y669-E848 PolarHBondContact OH-OE2 3.34Å; Y669-R851 HydrophobicContact CD2-CB 3.64Å; Y669-R851 HydrophobicContact CD2-CG 4.32Å; Y669-R851 HydrophobicContact CE2-CB 3.61Å; Y669-R851 HydrophobicContact CE2-CG 4.48Å; Y669-I855 HydrophobicContact CD2-CD1 3.66Å; Y669-I855 HydrophobicContact CE2-CD1 3.97Å; Y669-I855 HydrophobicContact CG-CD1 4.42Å
670	K	95.8	Very high	93.4	Very high	140 Å²	140	35.8 Å²	35.8	61%	0.609	19%	0.19	S	C	*	.	H	α-helix	trans	-63.3	-48.6	175.9	-176.6	177	-179.6	176.5	0	111.6	E666 F667 A668 A672 T673 D674	E666-K670 WeakPolarHBondContact O-CB 3.45Å; E666-K670 PolarHBondContact O-N 3.4Å; F667-K670 PolarHBondContact O-N 3.24Å; A668-K670 VanDerWaalsContact C-N 3.31Å; A668-K670 PolarHBondContact O-N 2.57Å; K670-A672 PolarHBondContact O-N 3.23Å; K670-T673 WeakPolarHBondContact O-CB 3.33Å; K670-T673 PolarHBondContact O-N 3.28Å; K670-D674 PolarHBondContact O-N 2.64Å
671	F	95.8	Very high	93.4	Very high	16 Å²	16	36 Å²	36	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-47.5	179.6	-164.4	-71.4	0	0	0	111.6	H565 V568 I572 I629 F667 A668 T673 D674 F675	H565-F671 HydrophobicContact CB-CE2 3.66Å; H565-F671 HydrophobicContact CB-CZ 3.8Å; H565-F671 AromaticContact CD2-CE2 3.71Å; H565-F671 AromaticContact CG-CE2 3.69Å; V568-F671 HydrophobicContact CB-CE1 4.5Å; V568-F671 HydrophobicContact CB-CE2 4.17Å; V568-F671 HydrophobicContact CB-CZ 3.98Å; V568-F671 HydrophobicContact CG1-CD1 4.25Å; V568-F671 HydrophobicContact CG1-CD2 4.37Å; V568-F671 HydrophobicContact CG1-CE1 4.03Å; V568-F671 HydrophobicContact CG1-CE2 4.12Å; V568-F671 HydrophobicContact CG1-CG 4.44Å; V568-F671 HydrophobicContact CG1-CZ 3.94Å; V568-F671 HydrophobicContact CG2-CE2 3.94Å; V568-F671 HydrophobicContact CG2-CZ 4.26Å; I572-F671 HydrophobicContact CD1-CD1 4.35Å; I572-F671 HydrophobicContact CD1-CE1 3.56Å; I572-F671 HydrophobicContact CD1-CZ 4.23Å; I629-F671 HydrophobicContact CD1-CB 4.32Å; I629-F671 HydrophobicContact CD1-CD1 3.76Å; I629-F671 HydrophobicContact CD1-CG 4.24Å; F667-F671 HydrophobicContact CE1-CD2 4.4Å; F667-F671 HydrophobicContact CZ-CD2 4.15Å; F667-F671 WeakPolarHBondContact O-CB 3.46Å; F667-F671 PolarHBondContact O-N 3.02Å; A668-F671 PolarHBondContact O-N 3.26Å; F671-T673 VanDerWaalsContact C-N 3.3Å; F671-T673 PolarHBondContact O-N 3.13Å; F671-D674 PolarHBondContact O-N 2.95Å; F671-D674 VanDerWaalsContact O-N 3.13Å; F671-F675 HydrophobicContact CD1-CB 4.07Å; F671-F675 HydrophobicContact CE1-CB 3.84Å; F671-F675 HydrophobicContact CE1-CD2 4.24Å; F671-F675 HydrophobicContact CE1-CG 4.19Å; F671-F675 WeakPolarHBondContact O-CB 3.42Å; F671-F675 PolarHBondContact O-N 3.18Å
672	A	95.7	Very high	93.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-37.7	177.6	0	0	0	0	0	112.1	V625 T626 A668 K670 I676	V625-A672 HydrophobicContact CG1-CB 4.45Å; T626-A672 VanDerWaalsContact OG1-CB 3.25Å; T626-A672 WeakPolarHBondContact OG1-CB 3.3Å; A668-A672 WeakPolarHBondContact O-CB 3.3Å; A668-A672 PolarHBondContact O-N 3.29Å; K670-A672 PolarHBondContact O-N 3.23Å; A672-I676 HydrophobicContact CB-CD1 4.18Å; A672-I676 WeakPolarHBondContact O-CB 3.22Å; A672-I676 WeakPolarHBondContact O-CG1 3.31Å; A672-I676 PolarHBondContact O-N 2.86Å
673	T	95.3	Very high	92.5	Very high	28 Å²	28	37 Å²	37	17%	0.172	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-35.5	173.8	-58.2	0	0	0	0	112.7	Y669 K670 F671 D677 K681 R851	Y669-T673 VanDerWaalsContact O-CB 3.31Å; Y669-T673 WeakPolarHBondContact O-CB 3.39Å; Y669-T673 PolarHBondContact O-N 2.87Å; Y669-T673 PolarHBondContact O-OG1 2.98Å; K670-T673 WeakPolarHBondContact O-CB 3.33Å; K670-T673 PolarHBondContact O-N 3.28Å; F671-T673 VanDerWaalsContact C-N 3.3Å; F671-T673 PolarHBondContact O-N 3.13Å; T673-D677 WeakPolarHBondContact O-CB 3.31Å; T673-K681 PolarHBondContact O-NZ 2.86Å; T673-R851 VanDerWaalsContact OG1-CD 3.31Å; T673-R851 WeakPolarHBondContact OG1-CD 3.48Å; T673-R851 PolarHBondContact OG1-NE 3.4Å
674	D	93.9	Very high	91.7	Very high	67 Å²	67	37.5 Å²	37.5	36%	0.358	18%	0.177	S	C	.	.	H	α-helix	trans	-83.5	-26.6	178.4	-78.9	-20.6	0	0	0	113.2	K670 F671 S678	K670-D674 PolarHBondContact O-N 2.64Å; F671-D674 PolarHBondContact O-N 2.95Å; F671-D674 VanDerWaalsContact O-N 3.13Å; D674-S678 WeakPolarHBondContact O-CB 3.36Å; D674-S678 PolarHBondContact O-OG 3.44Å
675	F	93.7	Very high	90.9	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-89.3	-51.1	179.6	-174.5	-95.2	0	0	0	113.4	L554 Q558 Q561 M569 I572 F603 F671	L554-F675 HydrophobicContact CD2-CZ 3.99Å; Q558-F675 HydrophobicContact CB-CE2 4.04Å; Q558-F675 HydrophobicContact CB-CZ 4.25Å; Q558-F675 HydrophobicContact CG-CD2 4.28Å; Q558-F675 HydrophobicContact CG-CE1 4.42Å; Q558-F675 HydrophobicContact CG-CE2 4.11Å; Q558-F675 HydrophobicContact CG-CZ 4.18Å; Q558-F675 WeakPolarHBondContact CG-O 3.23Å; Q558-F675 PolarHBondContact NE2-O 2.68Å; Q561-F675 HydrophobicContact CB-CD2 4.08Å; M569-F675 HydrophobicContact CE-CE2 4.38Å; M569-F675 HydrophobicContact CE-CZ 4.12Å; M569-F675 HydrophobicContact SD-CE2 4.08Å; M569-F675 HydrophobicContact SD-CZ 4.33Å; I572-F675 HydrophobicContact CD1-CD1 4.47Å; I572-F675 HydrophobicContact CD1-CD2 4.42Å; I572-F675 HydrophobicContact CD1-CE2 4.45Å; I572-F675 HydrophobicContact CD1-CG 4.44Å; I572-F675 HydrophobicContact CD1-CZ 4.49Å; I572-F675 HydrophobicContact CG2-CD1 4.31Å; I572-F675 HydrophobicContact CG2-CE1 3.79Å; I572-F675 HydrophobicContact CG2-CZ 4.29Å; F603-F675 HydrophobicContact CD1-CE1 4.18Å; F603-F675 HydrophobicContact CD2-CE1 4.28Å; F603-F675 HydrophobicContact CE1-CE1 4.18Å; F603-F675 HydrophobicContact CE2-CE1 4.28Å; F603-F675 HydrophobicContact CG-CE1 4.23Å; F603-F675 HydrophobicContact CZ-CE1 4.23Å; F671-F675 HydrophobicContact CD1-CB 4.07Å; F671-F675 HydrophobicContact CE1-CB 3.84Å; F671-F675 HydrophobicContact CE1-CD2 4.24Å; F671-F675 HydrophobicContact CE1-CG 4.19Å; F671-F675 WeakPolarHBondContact O-CB 3.42Å; F671-F675 PolarHBondContact O-N 3.18Å
676	I	93	Very high	89.8	Confident	15 Å²	15	50 Å²	50	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-76.9	-50.3	-171.9	-54.8	176.8	0	0	0	110.2	F603 A622 V625 A672 S678 R679	F603-I676 HydrophobicContact CE1-CD1 4.44Å; F603-I676 HydrophobicContact CE1-CG1 4.16Å; A622-I676 HydrophobicContact CB-CD1 4.15Å; V625-I676 HydrophobicContact CB-CD1 3.97Å; V625-I676 HydrophobicContact CG1-CD1 4.04Å; V625-I676 HydrophobicContact CG2-CD1 4.31Å; A672-I676 HydrophobicContact CB-CD1 4.18Å; A672-I676 WeakPolarHBondContact O-CB 3.22Å; A672-I676 WeakPolarHBondContact O-CG1 3.31Å; A672-I676 PolarHBondContact O-N 2.86Å; I676-S678 PolarHBondContact O-N 3.49Å; I676-S678 VanDerWaalsContact O-N 3.13Å; I676-R679 PolarHBondContact O-N 3.06Å
677	D	93.3	Very high	88.6	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-69.5	-11.6	-178.7	-58.3	-2	0	0	0	112.6	T673 R679 E680 K681 L844 N847 R851	T673-D677 WeakPolarHBondContact O-CB 3.31Å; D677-R679 VanDerWaalsContact C-N 3.29Å; D677-R679 PolarHBondContact O-N 3.37Å; D677-E680 PolarHBondContact O-N 2.99Å; D677-E680 VanDerWaalsContact O-N 3.16Å; D677-K681 HydrophobicContact CB-CD 4.07Å; D677-K681 VanDerWaalsContact CB-CE 3.49Å; D677-K681 WeakPolarHBondContact O-CB 3.38Å; D677-K681 WeakPolarHBondContact O-CD 3.03Å; D677-K681 WeakPolarHBondContact O-CG 3.49Å; D677-K681 PolarHBondContact O-N 3.32Å; D677-L844 HydrophobicContact CB-CD2 3.51Å; D677-N847 WeakPolarHBondContact OD1-CB 3.29Å; D677-N847 PolarHBondContact OD1-ND2 2.9Å; D677-R851 VanDerWaalsContact CG-NH1 3.3Å; D677-R851 IonicContact OD1-CZ 2.76Å; D677-R851 IonicContact OD1-NH1 3.17Å; D677-R851 PolarHBondContact OD1-NH1 3.19Å; D677-R851 IonicContact OD1-NH2 3.38Å; D677-R851 IonicContact OD2-CZ 2.72Å; D677-R851 IonicContact OD2-NH1 3.33Å; D677-R851 PolarHBondContact OD2-NH1 3.03Å; D677-R851 IonicContact OD2-NH2 2.68Å; D677-R851 PolarHBondContact OD2-NH2 3.02Å
678	S	91.5	Very high	87.2	Confident	16 Å²	16	49.6 Å²	49.6	11%	0.112	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-43.4	176.9	-93	0	0	0	0	112.1	D674 I676 E680 K681 E682	D674-S678 WeakPolarHBondContact O-CB 3.36Å; D674-S678 PolarHBondContact O-OG 3.44Å; I676-S678 PolarHBondContact O-N 3.49Å; I676-S678 VanDerWaalsContact O-N 3.13Å; S678-E680 VanDerWaalsContact C-N 3.3Å; S678-E680 PolarHBondContact O-N 3.43Å; S678-K681 PolarHBondContact O-N 3.5Å; S678-K681 VanDerWaalsContact O-N 3.17Å; S678-E682 WeakPolarHBondContact O-CG 3.49Å; S678-E682 PolarHBondContact O-N 2.84Å
679	R	88.6	Confident	85.8	Confident	65 Å²	65	51.3 Å²	51.3	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-54.7	-45.8	175.8	-177.5	-178.1	-179.8	92.9	19.3	111.7	G553 F603 G604 P605 I676 D677 E682 T683	G553-R679 PolarHBondContact O-NH1 3.28Å; F603-R679 PolarHBondContact O-NH1 3.28Å; G604-R679 VanDerWaalsContact O-CZ 3.25Å; G604-R679 PolarHBondContact O-NH1 3.43Å; P605-R679 VanDerWaalsContact CA-NH2 3.29Å; I676-R679 PolarHBondContact O-N 3.06Å; D677-R679 VanDerWaalsContact C-N 3.29Å; D677-R679 PolarHBondContact O-N 3.37Å; R679-E682 PolarHBondContact O-N 3.29Å; R679-T683 PolarHBondContact O-N 2.9Å
680	E	88.6	Confident	84.4	Confident	15 Å²	15	53.7 Å²	53.7	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-77.9	-27.7	-179.9	-60	-56.7	167.7	0	0	113.2	H618 D677 S678 E682 T683 N684 S840 N843 L844	H618-E680 IonicContact CE1-OE1 2.65Å; D677-E680 PolarHBondContact O-N 2.99Å; D677-E680 VanDerWaalsContact O-N 3.16Å; S678-E680 VanDerWaalsContact C-N 3.3Å; S678-E680 PolarHBondContact O-N 3.43Å; E680-E682 VanDerWaalsContact C-N 3.33Å; E680-T683 PolarHBondContact O-OG1 3.39Å; E680-T683 PolarHBondContact OE2-OG1 2.98Å; E680-N684 VanDerWaalsContact O-CB 3.29Å; E680-N684 WeakPolarHBondContact O-CB 3.39Å; E680-N684 PolarHBondContact O-N 3.15Å; E680-N684 PolarHBondContact O-ND2 3.18Å; E680-S840 WeakPolarHBondContact CA-OG 3.24Å; E680-S840 WeakPolarHBondContact CB-OG 3.42Å; E680-S840 PolarHBondContact O-OG 3.26Å; E680-S840 VanDerWaalsContact O-OG 3.08Å; E680-S840 VanDerWaalsContact OE2-CA 3.24Å; E680-S840 WeakPolarHBondContact OE2-CA 3.39Å; E680-S840 WeakPolarHBondContact OE2-CB 3.33Å; E680-S840 PolarHBondContact OE2-OG 2.84Å; E680-N843 HydrophobicContact CG-CB 3.93Å; E680-N843 WeakPolarHBondContact OE1-CB 3.41Å; E680-N843 PolarHBondContact OE1-ND2 2.99Å; E680-L844 HydrophobicContact CB-CD1 4.19Å; E680-L844 HydrophobicContact CB-CD2 3.76Å; E680-L844 HydrophobicContact CB-CG 3.72Å; E680-L844 HydrophobicContact CG-CD2 4.5Å; E680-L844 HydrophobicContact CG-CG 4.37Å
681	K	87.5	Confident	83	Confident	69 Å²	69	53 Å²	53	30%	0.3	26%	0.255	S	S	.	.	H	α-helix	trans	-69.2	-31.4	170.8	-69.4	158.4	-175.9	167.6	0	110.8	T673 D677 S678 R685	T673-K681 PolarHBondContact O-NZ 2.86Å; D677-K681 HydrophobicContact CB-CD 4.07Å; D677-K681 VanDerWaalsContact CB-CE 3.49Å; D677-K681 WeakPolarHBondContact O-CB 3.38Å; D677-K681 WeakPolarHBondContact O-CD 3.03Å; D677-K681 WeakPolarHBondContact O-CG 3.49Å; D677-K681 PolarHBondContact O-N 3.32Å; S678-K681 PolarHBondContact O-N 3.5Å; S678-K681 VanDerWaalsContact O-N 3.17Å; K681-R685 WeakPolarHBondContact O-CD 3.26Å; K681-R685 WeakPolarHBondContact O-CG 3.36Å; K681-R685 PolarHBondContact O-N 2.94Å
682	E	84.8	Confident	81.7	Confident	33 Å²	33	61.3 Å²	61.3	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-71.4	-52.2	174.1	-72.7	-171.1	143.1	0	0	112.6	S555 N556 S557 S678 R679 E680 N684 R685 E686	S555-E682 WeakPolarHBondContact CB-OE2 3.48Å; N556-E682 PolarHBondContact N-OE2 3Å; S557-E682 VanDerWaalsContact CB-OE1 3.26Å; S557-E682 WeakPolarHBondContact CB-OE1 3.43Å; S557-E682 PolarHBondContact N-OE1 2.9Å; S557-E682 PolarHBondContact N-OE2 2.95Å; S557-E682 PolarHBondContact OG-OE1 2.89Å; S678-E682 WeakPolarHBondContact O-CG 3.49Å; S678-E682 PolarHBondContact O-N 2.84Å; R679-E682 PolarHBondContact O-N 3.29Å; E680-E682 VanDerWaalsContact C-N 3.33Å; E682-N684 VanDerWaalsContact C-N 3.26Å; E682-N684 PolarHBondContact O-N 3.49Å; E682-R685 WeakPolarHBondContact O-CA 3.47Å; E682-R685 WeakPolarHBondContact O-CB 3.37Å; E682-R685 PolarHBondContact O-N 3.46Å; E682-E686 WeakPolarHBondContact O-CG 3.33Å; E682-E686 PolarHBondContact O-N 3.42Å
683	T	79.6	Confident	80.6	Confident	36 Å²	36	68 Å²	68	22%	0.221	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-34	178.2	61.4	0	0	0	0	112.6	R679 E680 R685 T687 S840	R679-T683 PolarHBondContact O-N 2.9Å; E680-T683 PolarHBondContact O-OG1 3.39Å; E680-T683 PolarHBondContact OE2-OG1 2.98Å; T683-R685 VanDerWaalsContact C-N 3.31Å; T683-R685 PolarHBondContact O-N 2.7Å; T683-T687 WeakPolarHBondContact O-CG2 3.49Å; T683-T687 PolarHBondContact O-N 2.85Å; T683-T687 VanDerWaalsContact O-N 3.1Å; T683-T687 PolarHBondContact O-OG1 3.44Å; T683-S840 PolarHBondContact OG1-OG 3.16Å; T683-S840 VanDerWaalsContact OG1-OG 3.1Å
684	N	76.6	Confident	79.4	Confident	11 Å²	11	75.1 Å²	75.1	6%	0.059	34%	0.338	C	S	.	.	H	α-helix	trans	-70.1	-18.3	170.8	-86.9	-65.5	0	0	0	114.8	E680 E682 R688 S840	E680-N684 VanDerWaalsContact O-CB 3.29Å; E680-N684 WeakPolarHBondContact O-CB 3.39Å; E680-N684 PolarHBondContact O-N 3.15Å; E680-N684 PolarHBondContact O-ND2 3.18Å; E682-N684 VanDerWaalsContact C-N 3.26Å; E682-N684 PolarHBondContact O-N 3.49Å; N684-R688 VanDerWaalsContact O-CD 3.28Å; N684-R688 WeakPolarHBondContact O-CD 3.5Å; N684-R688 VanDerWaalsContact O-CG 3.24Å; N684-R688 WeakPolarHBondContact O-CG 3.31Å; N684-R688 PolarHBondContact O-NE 3.34Å; N684-S840 WeakPolarHBondContact ND2-CB 3.43Å; N684-S840 PolarHBondContact ND2-OG 3.33Å
685	R	78.2	Confident	78.5	Confident	168 Å²	168	76.6 Å²	76.6	63%	0.634	34%	0.343	S	S	*	.	H	α-helix	trans	-86.7	-45.2	172.4	-77	165.3	174.6	175.9	-1.8	110.6	K681 E682 T683 T687 R688 G689	K681-R685 WeakPolarHBondContact O-CD 3.26Å; K681-R685 WeakPolarHBondContact O-CG 3.36Å; K681-R685 PolarHBondContact O-N 2.94Å; E682-R685 WeakPolarHBondContact O-CA 3.47Å; E682-R685 WeakPolarHBondContact O-CB 3.37Å; E682-R685 PolarHBondContact O-N 3.46Å; T683-R685 VanDerWaalsContact C-N 3.31Å; T683-R685 PolarHBondContact O-N 2.7Å; R685-T687 PolarHBondContact O-N 2.87Å; R685-R688 CarbonylContact O-C 3.58Å; R685-R688 WeakPolarHBondContact O-CA 3.44Å; R685-R688 WeakPolarHBondContact O-CB 3.14Å; R685-R688 PolarHBondContact O-N 3.17Å; R685-G689 PolarHBondContact O-N 3.29Å
686	E	71.9	Confident	77.7	Confident	122 Å²	122	82.1 Å²	82.1	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-57.4	-48.9	177.3	-68.8	166.8	173.2	0	0	111.7	E682 R688 G689 V690	E682-E686 WeakPolarHBondContact O-CG 3.33Å; E682-E686 PolarHBondContact O-N 3.42Å; E686-R688 PolarHBondContact O-N 3.42Å; E686-R688 VanDerWaalsContact O-N 3.16Å; E686-G689 PolarHBondContact O-N 3.07Å; E686-V690 WeakPolarHBondContact O-CG2 3.39Å; E686-V690 PolarHBondContact O-N 3.04Å
687	T	68	Low	76.9	Confident	25 Å²	25	86.1 Å²	86.1	15%	0.153	39%	0.389	C	S	.	.	H	α-helix	trans	-61	-24.3	176.1	49.3	0	0	0	0	113.8	T683 R685 V836	T683-T687 WeakPolarHBondContact O-CG2 3.49Å; T683-T687 PolarHBondContact O-N 2.85Å; T683-T687 VanDerWaalsContact O-N 3.1Å; T683-T687 PolarHBondContact O-OG1 3.44Å; R685-T687 PolarHBondContact O-N 2.87Å; T687-V836 HydrophobicContact CG2-CB 4.25Å; T687-V836 HydrophobicContact CG2-CG1 4.04Å
688	R	66.4	Low	76.1	Confident	165 Å²	165	90.4 Å²	90.4	62%	0.623	41%	0.412	S	S	*	.	H	α-helix	trans	-81.7	-39.3	170.2	-63.9	172.4	-160.7	-154	3.6	112.1	N684 R685 E686 K691 R692	N684-R688 VanDerWaalsContact O-CD 3.28Å; N684-R688 WeakPolarHBondContact O-CD 3.5Å; N684-R688 VanDerWaalsContact O-CG 3.24Å; N684-R688 WeakPolarHBondContact O-CG 3.31Å; N684-R688 PolarHBondContact O-NE 3.34Å; R685-R688 CarbonylContact O-C 3.58Å; R685-R688 WeakPolarHBondContact O-CA 3.44Å; R685-R688 WeakPolarHBondContact O-CB 3.14Å; R685-R688 PolarHBondContact O-N 3.17Å; E686-R688 PolarHBondContact O-N 3.42Å; E686-R688 VanDerWaalsContact O-N 3.16Å; R688-K691 PolarHBondContact O-N 2.93Å; R688-R692 PolarHBondContact O-N 3.16Å
689	G	68.4	Low	75.5	Confident	37 Å²	37	96.5 Å²	96.5	38%	0.381	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-46.8	176.8	0	0	0	0	0	112.1	R685 E686 K691 R692 K693	R685-G689 PolarHBondContact O-N 3.29Å; E686-G689 PolarHBondContact O-N 3.07Å; G689-K691 VanDerWaalsContact C-N 3.29Å; G689-K691 PolarHBondContact O-N 2.95Å; G689-R692 PolarHBondContact O-N 2.93Å; G689-K693 PolarHBondContact O-N 3.43Å
690	V	66	Low	74.8	Confident	92 Å²	92	98.2 Å²	98.2	56%	0.558	45%	0.451	S	S	*	.	H	α-helix	trans	-59.9	-38.7	174	173.7	0	0	0	0	111.5	E686 R694	E686-V690 WeakPolarHBondContact O-CG2 3.39Å; E686-V690 PolarHBondContact O-N 3.04Å; V690-R694 WeakPolarHBondContact O-CB 3.43Å; V690-R694 PolarHBondContact O-N 3.26Å
691	K	65.8	Low	74.1	Confident	126 Å²	126	105.6 Å²	105.6	55%	0.548	48%	0.478	S	S	.	.	H	α-helix	trans	-63.6	-49.1	174.6	-173.8	173.6	-179.2	-71.6	0	111.5	R688 G689 R694 E695	R688-K691 PolarHBondContact O-N 2.93Å; G689-K691 VanDerWaalsContact C-N 3.29Å; G689-K691 PolarHBondContact O-N 2.95Å; K691-R694 PolarHBondContact O-N 3Å; K691-E695 WeakPolarHBondContact CE-OE1 3.38Å; K691-E695 IonicContact NZ-OE1 3.9Å; K691-E695 PolarHBondContact NZ-OE1 2.92Å; K691-E695 IonicContact NZ-OE2 3.29Å; K691-E695 WeakPolarHBondContact O-CG 3.5Å; K691-E695 PolarHBondContact O-N 2.96Å
692	R	68.6	Low	73.1	Confident	189 Å²	189	108.3 Å²	108.3	71%	0.713	49%	0.493	S	S	*	.	H	α-helix	trans	-59.2	-49.3	176.6	-77.2	-178.2	170.3	-179.6	-4.7	112.4	R688 G689 R694 E695 E696	R688-R692 PolarHBondContact O-N 3.16Å; G689-R692 PolarHBondContact O-N 2.93Å; R692-R694 VanDerWaalsContact C-N 3.25Å; R692-R694 PolarHBondContact O-N 3.42Å; R692-E695 WeakPolarHBondContact O-CB 3.3Å; R692-E695 PolarHBondContact O-N 3.32Å; R692-E696 WeakPolarHBondContact O-CB 3.37Å; R692-E696 PolarHBondContact O-N 2.81Å
693	K	72.8	Confident	72.1	Confident	140 Å²	140	112.9 Å²	112.9	61%	0.609	51%	0.514	S	S	*	.	H	α-helix	trans	-61.2	-34	179.2	-169.1	168.3	-176.1	172	0	111.9	G689 I697	G689-K693 PolarHBondContact O-N 3.43Å; K693-I697 HydrophobicContact CG-CD1 4.06Å; K693-I697 WeakPolarHBondContact O-CB 3.39Å; K693-I697 WeakPolarHBondContact O-CD1 3.44Å; K693-I697 WeakPolarHBondContact O-CG1 3.39Å; K693-I697 PolarHBondContact O-N 3.47Å
694	R	71.1	Confident	71.1	Confident	179 Å²	179	113.9 Å²	113.9	68%	0.675	52%	0.523	S	S	*	.	H	α-helix	trans	-70.7	-37.6	173.2	-172.1	173.2	-176.7	162.5	2	113	V690 K691 R692 N698	V690-R694 WeakPolarHBondContact O-CB 3.43Å; V690-R694 PolarHBondContact O-N 3.26Å; K691-R694 PolarHBondContact O-N 3Å; R692-R694 VanDerWaalsContact C-N 3.25Å; R692-R694 PolarHBondContact O-N 3.42Å; R694-N698 WeakPolarHBondContact O-CB 3.42Å; R694-N698 VanDerWaalsContact O-CG 3.27Å; R694-N698 PolarHBondContact O-N 3.04Å; R694-N698 VanDerWaalsContact O-N 3.09Å; R694-N698 PolarHBondContact O-OD1 3.03Å
695	E	74.2	Confident	70.6	Confident	97 Å²	97	117.5 Å²	117.5	45%	0.453	54%	0.542	S	S	.	.	H	α-helix	trans	-66.9	-38.8	174.9	-71.2	166.4	156.1	0	0	111.5	K691 R692 N698 K699	K691-E695 WeakPolarHBondContact CE-OE1 3.38Å; K691-E695 IonicContact NZ-OE1 3.9Å; K691-E695 PolarHBondContact NZ-OE1 2.92Å; K691-E695 IonicContact NZ-OE2 3.29Å; K691-E695 WeakPolarHBondContact O-CG 3.5Å; K691-E695 PolarHBondContact O-N 2.96Å; R692-E695 WeakPolarHBondContact O-CB 3.3Å; R692-E695 PolarHBondContact O-N 3.32Å; E695-N698 PolarHBondContact O-N 2.87Å; E695-K699 PolarHBondContact O-N 2.68Å
696	E	75.8	Confident	70	Confident	117 Å²	117	114.4 Å²	114.4	55%	0.547	54%	0.538	S	S	.	.	H	α-helix	trans	-69	-45.7	176.1	-174.2	169.1	-144.9	0	0	112.8	R692 N698 K699 N700	R692-E696 WeakPolarHBondContact O-CB 3.37Å; R692-E696 PolarHBondContact O-N 2.81Å; E696-N698 VanDerWaalsContact C-N 3.3Å; E696-N698 PolarHBondContact O-N 3.08Å; E696-K699 PolarHBondContact O-N 2.88Å; E696-K699 VanDerWaalsContact O-N 3.15Å; E696-N700 PolarHBondContact O-N 3.07Å
697	I	77.1	Confident	69.5	Low	100 Å²	100	112.7 Å²	112.7	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-58.6	-42.2	172.9	-72.5	165	0	0	0	111	K693 N700 R701	K693-I697 HydrophobicContact CG-CD1 4.06Å; K693-I697 WeakPolarHBondContact O-CB 3.39Å; K693-I697 WeakPolarHBondContact O-CD1 3.44Å; K693-I697 WeakPolarHBondContact O-CG1 3.39Å; K693-I697 PolarHBondContact O-N 3.47Å; I697-N700 PolarHBondContact O-N 3.39Å; I697-R701 WeakPolarHBondContact O-CB 3.31Å; I697-R701 PolarHBondContact O-N 3.21Å
698	N	77.5	Confident	69.1	Low	96 Å²	96	115.5 Å²	115.5	51%	0.513	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-41.2	175.6	-77.9	3.1	0	0	0	112.2	R694 E695 E696 R701 M702	R694-N698 WeakPolarHBondContact O-CB 3.42Å; R694-N698 VanDerWaalsContact O-CG 3.27Å; R694-N698 PolarHBondContact O-N 3.04Å; R694-N698 VanDerWaalsContact O-N 3.09Å; R694-N698 PolarHBondContact O-OD1 3.03Å; E695-N698 PolarHBondContact O-N 2.87Å; E696-N698 VanDerWaalsContact C-N 3.3Å; E696-N698 PolarHBondContact O-N 3.08Å; N698-R701 PolarHBondContact O-N 3.06Å; N698-M702 PolarHBondContact O-N 2.9Å
699	K	78.4	Confident	68.7	Low	144 Å²	144	110.9 Å²	110.9	63%	0.626	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-44.2	177.5	-170.8	-176.3	179.1	-171.7	0	111.8	E695 E696 R701 M702	E695-K699 PolarHBondContact O-N 2.68Å; E696-K699 PolarHBondContact O-N 2.88Å; E696-K699 VanDerWaalsContact O-N 3.15Å; K699-R701 VanDerWaalsContact C-N 3.28Å; K699-R701 PolarHBondContact O-N 3.47Å; K699-M702 PolarHBondContact O-N 3.45Å
700	N	74.5	Confident	67.9	Low	102 Å²	102	117.3 Å²	117.3	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-67.1	-31.5	179.1	-66.4	-6	0	0	0	111.7	E696 I697 S704	E696-N700 PolarHBondContact O-N 3.07Å; I697-N700 PolarHBondContact O-N 3.39Å; N700-S704 PolarHBondContact O-N 3.24Å
701	R	72.8	Confident	67.3	Low	169 Å²	169	118.1 Å²	118.1	64%	0.638	57%	0.566	S	S	*	*	H	α-helix	trans	-62.9	-44.7	173.9	-174	172.6	-178.1	152.8	5.7	112.4	I697 N698 K699 H703 S704 D705	I697-R701 WeakPolarHBondContact O-CB 3.31Å; I697-R701 PolarHBondContact O-N 3.21Å; N698-R701 PolarHBondContact O-N 3.06Å; K699-R701 VanDerWaalsContact C-N 3.28Å; K699-R701 PolarHBondContact O-N 3.47Å; R701-H703 PolarHBondContact O-N 2.8Å; R701-S704 WeakPolarHBondContact O-CB 3.33Å; R701-S704 PolarHBondContact O-N 3.48Å; R701-D705 IonicContact NE-OD2 2.93Å; R701-D705 PolarHBondContact O-N 3.23Å
702	M	66	Low	66.8	Low	126 Å²	126	117.6 Å²	117.6	62%	0.621	57%	0.568	S	S	*	*	H	α-helix	trans	-55.1	-49.8	177.7	-73.8	173.2	58.3	0	0	112.3	N698 K699 S704 D705 D706	N698-M702 PolarHBondContact O-N 2.9Å; K699-M702 PolarHBondContact O-N 3.45Å; M702-S704 VanDerWaalsContact C-N 3.27Å; M702-S704 PolarHBondContact O-N 3.03Å; M702-D705 PolarHBondContact O-N 3.2Å; M702-D705 VanDerWaalsContact O-N 3.08Å; M702-D706 VanDerWaalsContact O-CG 3.25Å; M702-D706 PolarHBondContact O-N 2.99Å
703	H	64.3	Low	65.7	Low	129 Å²	129	112 Å²	112	60%	0.597	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-28.5	176.7	-84.2	-8	0	0	0	114.3	R701 D706 T707	R701-H703 PolarHBondContact O-N 2.8Å; H703-D706 IonicContact ND1-OD2 2.87Å; H703-D706 PolarHBondContact ND1-OD2 3.03Å; H703-T707 PolarHBondContact O-N 3.19Å; H703-T707 PolarHBondContact O-OG1 3.17Å
704	S	59.5	Low	64.7	Low	58 Å²	58	111.8 Å²	111.8	41%	0.406	57%	0.574	S	S	.	*	H	α-helix	trans	-71	-37.5	172.7	-172.5	0	0	0	0	111.4	N700 R701 M702 T707 N708	N700-S704 PolarHBondContact O-N 3.24Å; R701-S704 WeakPolarHBondContact O-CB 3.33Å; R701-S704 PolarHBondContact O-N 3.48Å; M702-S704 VanDerWaalsContact C-N 3.27Å; M702-S704 PolarHBondContact O-N 3.03Å; S704-T707 PolarHBondContact O-OG1 2.73Å; S704-N708 WeakPolarHBondContact O-CB 3.27Å; S704-N708 PolarHBondContact O-N 3.18Å; S704-N708 VanDerWaalsContact O-N 3.16Å; S704-N708 PolarHBondContact O-ND2 3.39Å
705	D	65.9	Low	63.6	Low	87 Å²	87	112.1 Å²	112.1	47%	0.465	58%	0.58	S	S	.	*	H	α-helix	trans	-70.7	-40.4	178	-64.8	-28.3	0	0	0	110.5	R701 M702 T707 N708 A709	R701-D705 IonicContact NE-OD2 2.93Å; R701-D705 PolarHBondContact O-N 3.23Å; M702-D705 PolarHBondContact O-N 3.2Å; M702-D705 VanDerWaalsContact O-N 3.08Å; D705-T707 PolarHBondContact O-N 3.03Å; D705-N708 PolarHBondContact O-N 2.73Å; D705-A709 PolarHBondContact O-N 3.05Å; D705-A709 VanDerWaalsContact O-N 3.13Å
706	D	64.4	Low	62.4	Low	102 Å²	102	118.3 Å²	118.3	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-56.6	-47.2	173.6	-63.7	-36.6	0	0	0	112.3	M702 H703	M702-D706 VanDerWaalsContact O-CG 3.25Å; M702-D706 PolarHBondContact O-N 2.99Å; H703-D706 IonicContact ND1-OD2 2.87Å; H703-D706 PolarHBondContact ND1-OD2 3.03Å
707	T	62.3	Low	60.9	Low	87 Å²	87	119.7 Å²	119.7	53%	0.534	61%	0.611	S	S	.	*	H	α-helix	trans	-76	-26.7	-176.4	45.6	0	0	0	0	113.8	H703 S704 D705 N711	H703-T707 PolarHBondContact O-N 3.19Å; H703-T707 PolarHBondContact O-OG1 3.17Å; S704-T707 PolarHBondContact O-OG1 2.73Å; D705-T707 PolarHBondContact O-N 3.03Å; T707-N711 PolarHBondContact O-ND2 3.22Å
708	N	58.6	Low	59.2	Low	83 Å²	83	123.9 Å²	123.9	44%	0.444	63%	0.625	S	S	.	*	H	α-helix	trans	-76.1	-34.2	173.5	-80.1	-66.1	0	0	0	112.4	S704 D705 F710 N711 I712	S704-N708 WeakPolarHBondContact O-CB 3.27Å; S704-N708 PolarHBondContact O-N 3.18Å; S704-N708 VanDerWaalsContact O-N 3.16Å; S704-N708 PolarHBondContact O-ND2 3.39Å; D705-N708 PolarHBondContact O-N 2.73Å; N708-F710 VanDerWaalsContact C-N 3.26Å; N708-F710 PolarHBondContact O-N 2.93Å; N708-N711 PolarHBondContact O-N 2.83Å; N708-I712 WeakPolarHBondContact O-CD1 3.45Å; N708-I712 WeakPolarHBondContact O-CG1 3.34Å; N708-I712 PolarHBondContact O-N 2.77Å
709	A	58.4	Low	57.3	Low	69 Å²	69	126.8 Å²	126.8	57%	0.57	64%	0.641	S	S	*	*	H	α-helix	trans	-56.2	-40.8	176.4	0	0	0	0	0	112.4	D705	D705-A709 PolarHBondContact O-N 3.05Å; D705-A709 VanDerWaalsContact O-N 3.13Å
710	F	52.3	Low	55.6	Low	171 Å²	171	126.5 Å²	126.5	75%	0.75	65%	0.651	S	S	*	*	H	α-helix	trans	-67.1	-39.7	-179.7	-156.9	-93.9	0	0	0	113.1	N708	N708-F710 VanDerWaalsContact C-N 3.26Å; N708-F710 PolarHBondContact O-N 2.93Å
711	N	53.5	Low	53.6	Low	109 Å²	109	129.2 Å²	129.2	58%	0.583	67%	0.665	S	S	*	*	H	α-helix	trans	-75.7	-23.5	-176.5	-78.8	-73.3	0	0	0	114.1	T707 N708 G713	T707-N711 PolarHBondContact O-ND2 3.22Å; N708-N711 PolarHBondContact O-N 2.83Å; N711-G713 VanDerWaalsContact C-N 3.3Å; N711-G713 PolarHBondContact O-N 3.47Å
712	I	54.3	Low	52.1	Low	115 Å²	115	125.9 Å²	125.9	59%	0.59	67%	0.674	S	S	*	*	H	α-helix	trans	-73.6	-21.4	-177.5	-71.3	167	0	0	0	112.4	N708 I714	N708-I712 WeakPolarHBondContact O-CD1 3.45Å; N708-I712 WeakPolarHBondContact O-CG1 3.34Å; N708-I712 PolarHBondContact O-N 2.77Å; I712-I714 VanDerWaalsContact C-N 3.31Å; I712-I714 PolarHBondContact O-N 2.8Å
713	G	46.5	Very low	50.6	Low	72 Å²	72	129.1 Å²	129.1	74%	0.742	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-17.8	-177	0	0	0	0	0	116.1	N711	N711-G713 VanDerWaalsContact C-N 3.3Å; N711-G713 PolarHBondContact O-N 3.47Å
714	I	51.2	Low	49.2	Very low	135 Å²	135	129.8 Å²	129.8	69%	0.692	69%	0.692	S	S	*	*	S	Bend	trans	-102.2	-17.9	-162.9	-64.4	176	0	0	0	113.9	I712	I712-I714 VanDerWaalsContact C-N 3.31Å; I712-I714 PolarHBondContact O-N 2.8Å
715	K	47.7	Very low	48.1	Very low	187 Å²	187	133.2 Å²	133.2	81%	0.813	71%	0.706	S	S	*	*			trans	-115.2	50	-165.3	-66.8	-168.4	174.6	-174.6	0	115.9
716	R	48.6	Very low	46.4	Very low	226 Å²	226	134.7 Å²	134.7	85%	0.853	72%	0.719	S	S	*	*			trans	-134.8	71	171.3	-73.4	-172.2	178.4	154.5	1.2	113.3
717	N	44.6	Very low	44.9	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	73%	0.726	S	S	*	*			trans	-155.1	132.8	161.1	-140.5	-24.5	0	0	0	113.2
718	K	43	Very low	43.4	Very low	188 Å²	188	137.5 Å²	137.5	82%	0.817	74%	0.738	S	S	*	*			trans	68.5	142.2	168.9	-52.6	-169.4	179	-178.7	0	119.5
719	N	35.6	Very low	42.3	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	75%	0.752	S	S	*	*			trans	-85.3	160.9	169.9	-57.9	-18.5	0	0	0	110.8
720	V	43.7	Very low	41	Very low	138 Å²	138	140.6 Å²	140.6	84%	0.836	75%	0.752	S	S	*	*				176.8	151.7	127.7	147.5	0	0	0	0	108.6
721	D	32.7	Very low	40	Very low	158 Å²	158	142.8 Å²	142.8	85%	0.845	76%	0.755	S	S	*	*			trans	-70.1	139.6	-172.7	-50.7	-97.8	0	0	0	114.8
722	A	40.1	Very low	39.2	Very low	100 Å²	100	144.9 Å²	144.9	83%	0.826	77%	0.766	S	S	*	*			trans	-153.3	142.4	158.6	0	0	0	0	0	110.6
723	K	35.6	Very low	38.2	Very low	194 Å²	194	145.3 Å²	145.3	84%	0.843	77%	0.774	S	S	*	*			trans	-95	153.1	169.3	-65.5	176.5	-179	174.2	0	109.5
724	N	34.5	Very low	37.4	Very low	142 Å²	142	153.4 Å²	153.4	76%	0.759	78%	0.782	S	S	*	*			trans	63.7	162	169	-70.7	32.9	0	0	0	114.3
725	D	36.3	Very low	36.4	Very low	130 Å²	130	156.4 Å²	156.4	70%	0.695	79%	0.79	S	S	*	*			cis	-140.1	-171	8.1	-138.3	-54.9	0	0	0	112.5
726	T	30.4	Very low	35.7	Very low	118 Å²	118	152.9 Å²	152.9	72%	0.724	79%	0.789	S	S	*	*			trans	-96.3	163.4	-170.6	55.4	0	0	0	0	115.5
727	S	32.3	Very low	34.7	Very low	100 Å²	100	149 Å²	149	70%	0.699	79%	0.791	S	S	*	*			trans	88.4	162.9	157.6	85.7	0	0	0	0	120
728	L	31.6	Very low	34	Very low	149 Å²	149	151 Å²	151	78%	0.78	80%	0.795	S	S	*	*			trans	65.1	139.1	-179.7	-87.7	71.3	0	0	0	115.5
729	V	35.4	Very low	33.5	Very low	122 Å²	122	146.1 Å²	146.1	74%	0.739	79%	0.79	S	S	*	*			cis	-138.1	120.4	0.5	-174.6	0	0	0	0	105.8
730	V	31.9	Very low	33.4	Very low	95 Å²	95	148 Å²	148	58%	0.576	79%	0.794	S	S	*	*				78	124.3	60.7	173.9	0	0	0	0	114.7
731	R	30.2	Very low	33	Very low	216 Å²	216	148 Å²	148	82%	0.815	79%	0.789	S	S	*	*			trans	68.9	106.8	170.9	-65.6	160.2	-166.6	125.3	2.2	118.6
732	N	38	Very low	33.2	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	78%	0.779	S	S	*	*				175.1	140.8	113.1	-84.3	-18.1	0	0	0	110.4
733	V	33.2	Very low	33	Very low	125 Å²	125	146.6 Å²	146.6	76%	0.758	77%	0.77	S	S	*	*			cis	-147.2	148.1	-26.6	152.9	0	0	0	0	106.5
734	R	28.4	Very low	33.2	Very low	241 Å²	241	143.2 Å²	143.2	91%	0.909	76%	0.76	S	S	*	*			trans	-59.7	131.6	174.9	-77.9	174.4	163	152.2	-8.1	113.2
735	K	29.9	Very low	33.4	Very low	198 Å²	198	143.1 Å²	143.1	86%	0.861	76%	0.759	S	S	*	*			trans	-166.9	170.1	146.7	-110.7	161.6	-174.5	178.8	0	112
736	S	33.1	Very low	33.7	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	75%	0.75	S	S	*	*			trans	55.2	62.5	177.5	56.4	0	0	0	0	117.2
737	T	28.8	Very low	34.2	Very low	144 Å²	144	141.9 Å²	141.9	88%	0.883	74%	0.744	S	S	*	*			trans	-86	94	153	45.4	0	0	0	0	109.4
738	E	29.7	Very low	34.9	Very low	189 Å²	189	143.2 Å²	143.2	88%	0.883	74%	0.743	S	S	*	*			trans	-139.8	77	174.3	-71.4	-172	163.3	0	0	109.8
739	A	32.9	Very low	35.6	Very low	86 Å²	86	143 Å²	143	71%	0.711	74%	0.736	S	S	*	*			trans	-146.7	15	-175.4	0	0	0	0	0	114.8	N741	A739-N741 PolarHBondContact O-N 2.92Å
740	E	33.3	Very low	36.6	Very low	196 Å²	196	142 Å²	142	92%	0.916	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	68.3	-175.9	-65.3	179.2	137.5	0	0	111.7
741	N	35.1	Very low	38.2	Very low	139 Å²	139	143.3 Å²	143.3	74%	0.743	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.4	11	174.6	-102.8	-50.4	0	0	0	113.9	A739	A739-N741 PolarHBondContact O-N 2.92Å
742	S	36.7	Very low	39.8	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	72%	0.717	S	S	*	*	S	Bend	trans	-100.7	-4.8	-178.8	56	0	0	0	0	114.8
743	H	36.2	Very low	41.3	Very low	139 Å²	139	136 Å²	136	64%	0.644	70%	0.698	S	S	*	*	S	Bend	trans	-90.3	-29.5	-173.4	-132.6	-79.1	0	0	0	114	L745 N746	H743-L745 PolarHBondContact O-N 3.38Å; H743-N746 PolarHBondContact O-N 2.95Å
744	I	39.1	Very low	43.3	Very low	123 Å²	123	134.4 Å²	134.4	63%	0.631	69%	0.685	S	S	*	*	H	α-helix	trans	-69.5	-17.8	-174.8	-58.4	171.3	0	0	0	112.4
745	L	39.8	Very low	45.4	Very low	141 Å²	141	127.4 Å²	127.4	74%	0.738	66%	0.663	S	S	*	*	H	α-helix	trans	-85.8	-8.2	-179.3	-74.1	172	0	0	0	114.6	H743	H743-L745 PolarHBondContact O-N 3.38Å
746	N	41.3	Very low	47.2	Very low	94 Å²	94	122.6 Å²	122.6	50%	0.503	65%	0.646	S	S	.	*	H	α-helix	trans	-91.3	-38.4	179.5	-75	12.8	0	0	0	112.7	H743 N748 F749 D750	H743-N746 PolarHBondContact O-N 2.95Å; N746-N748 VanDerWaalsContact C-N 3.29Å; N746-N748 PolarHBondContact O-N 3.13Å; N746-F749 WeakPolarHBondContact O-CA 3.21Å; N746-F749 WeakPolarHBondContact O-CB 3.47Å; N746-F749 PolarHBondContact O-N 2.94Å; N746-D750 PolarHBondContact O-N 2.03Å
747	E	41.2	Very low	49.4	Very low	127 Å²	127	122.3 Å²	122.3	59%	0.593	63%	0.632	S	S	*	*	H	α-helix	trans	-60.3	-36.8	-172.6	-62.9	176.2	158.3	0	0	112.5	F749 Q751	E747-F749 VanDerWaalsContact C-N 3.29Å; E747-F749 PolarHBondContact O-N 2.66Å; E747-Q751 PolarHBondContact O-N 3.08Å
748	N	47.7	Very low	51.7	Low	128 Å²	128	121.2 Å²	121.2	68%	0.684	62%	0.617	S	S	*	*	H	α-helix	trans	-70.1	-18	174	-99.1	32.3	0	0	0	114.5	N746	N746-N748 VanDerWaalsContact C-N 3.29Å; N746-N748 PolarHBondContact O-N 3.13Å
749	F	45.5	Very low	53.8	Low	146 Å²	146	121 Å²	121	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-81.5	-44.4	176.2	-174.4	-96.1	0	0	0	110.7	N746 E747 Q751 H752 L753	N746-F749 WeakPolarHBondContact O-CA 3.21Å; N746-F749 WeakPolarHBondContact O-CB 3.47Å; N746-F749 PolarHBondContact O-N 2.94Å; E747-F749 VanDerWaalsContact C-N 3.29Å; E747-F749 PolarHBondContact O-N 2.66Å; F749-Q751 VanDerWaalsContact C-N 3.31Å; F749-Q751 PolarHBondContact O-N 3.39Å; F749-H752 PolarHBondContact O-N 3.47Å; F749-L753 PolarHBondContact O-N 2.87Å
750	D	57.2	Low	55.8	Low	99 Å²	99	120.8 Å²	120.8	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-63.5	-38	177.9	-61.2	-31.9	0	0	0	111.3	N746 H752 L753 L754	N746-D750 PolarHBondContact O-N 2.03Å; D750-H752 PolarHBondContact O-N 3.37Å; D750-L753 PolarHBondContact O-N 3.04Å; D750-L754 WeakPolarHBondContact O-CB 3.5Å; D750-L754 PolarHBondContact O-N 2.97Å
751	Q	65.1	Low	57.7	Low	124 Å²	124	115.1 Å²	115.1	58%	0.579	57%	0.573	S	S	*	*	H	α-helix	trans	-56.7	-49.2	173.6	-170.3	93.4	31.6	0	0	112.3	E747 F749 L754 E755	E747-Q751 PolarHBondContact O-N 3.08Å; F749-Q751 VanDerWaalsContact C-N 3.31Å; F749-Q751 PolarHBondContact O-N 3.39Å; Q751-L754 PolarHBondContact O-N 3.14Å; Q751-E755 PolarHBondContact O-N 3.45Å; Q751-E755 VanDerWaalsContact O-N 3.1Å
752	H	63.7	Low	59.8	Low	135 Å²	135	115.7 Å²	115.7	63%	0.625	57%	0.569	S	S	*	*	H	α-helix	trans	-70.2	-31	179.8	-98.1	-43.2	0	0	0	113.3	F749 D750 E755 L756	F749-H752 PolarHBondContact O-N 3.47Å; D750-H752 PolarHBondContact O-N 3.37Å; H752-E755 IonicContact CE1-OE2 2.75Å; H752-E755 IonicContact ND1-OE2 2.84Å; H752-E755 PolarHBondContact ND1-OE2 2.04Å; H752-E755 VanDerWaalsContact ND1-OE2 3.16Å; H752-L756 PolarHBondContact O-N 3.44Å; H752-L756 VanDerWaalsContact O-N 3.15Å
753	L	70.2	Confident	61.5	Low	79 Å²	79	117.8 Å²	117.8	41%	0.414	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-42.2	173.2	-174.5	60.2	0	0	0	110.7	F749 D750 L756 E757	F749-L753 PolarHBondContact O-N 2.87Å; D750-L753 PolarHBondContact O-N 3.04Å; L753-L756 WeakPolarHBondContact O-CB 3.39Å; L753-L756 PolarHBondContact O-N 2.97Å; L753-E757 PolarHBondContact O-N 3.25Å
754	L	73.9	Confident	63	Low	92 Å²	92	114.2 Å²	114.2	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-39.4	177.7	-155.6	78.3	0	0	0	112.5	D750 Q751 L756 E757 Q758	D750-L754 WeakPolarHBondContact O-CB 3.5Å; D750-L754 PolarHBondContact O-N 2.97Å; Q751-L754 PolarHBondContact O-N 3.14Å; L754-L756 VanDerWaalsContact C-N 3.32Å; L754-L756 PolarHBondContact O-N 2.8Å; L754-E757 PolarHBondContact O-N 2.78Å; L754-Q758 WeakPolarHBondContact O-CB 3.28Å; L754-Q758 VanDerWaalsContact O-CG 3.26Å; L754-Q758 WeakPolarHBondContact O-CG 3.42Å; L754-Q758 PolarHBondContact O-N 2.95Å
755	E	73.4	Confident	64.4	Low	95 Å²	95	115.2 Å²	115.2	44%	0.444	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-37.7	172.5	-73.6	-179.1	169	0	0	112.6	Q751 H752 R759	Q751-E755 PolarHBondContact O-N 3.45Å; Q751-E755 VanDerWaalsContact O-N 3.1Å; H752-E755 IonicContact CE1-OE2 2.75Å; H752-E755 IonicContact ND1-OE2 2.84Å; H752-E755 PolarHBondContact ND1-OE2 2.04Å; H752-E755 VanDerWaalsContact ND1-OE2 3.16Å; E755-R759 PolarHBondContact O-N 3.44Å
756	L	68.4	Low	66	Low	96 Å²	96	113.8 Å²	113.8	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-68	-45.6	177.2	-169	73.9	0	0	0	111.1	H752 L753 L754 Q758 R759 I760	H752-L756 PolarHBondContact O-N 3.44Å; H752-L756 VanDerWaalsContact O-N 3.15Å; L753-L756 WeakPolarHBondContact O-CB 3.39Å; L753-L756 PolarHBondContact O-N 2.97Å; L754-L756 VanDerWaalsContact C-N 3.32Å; L754-L756 PolarHBondContact O-N 2.8Å; L756-Q758 VanDerWaalsContact C-N 3.34Å; L756-Q758 PolarHBondContact O-N 2.91Å; L756-R759 PolarHBondContact O-N 2.87Å; L756-I760 HydrophobicContact CG-CD1 4.03Å; L756-I760 WeakPolarHBondContact O-CG1 3.23Å; L756-I760 PolarHBondContact O-N 3.23Å
757	E	77.6	Confident	67	Low	107 Å²	107	111.5 Å²	111.5	50%	0.5	55%	0.548	S	S	.	.	H	α-helix	trans	-60.4	-41.7	174.5	-72.3	-174.1	152.6	0	0	111.8	L753 L754 I760 T761	L753-E757 PolarHBondContact O-N 3.25Å; L754-E757 PolarHBondContact O-N 2.78Å; E757-I760 PolarHBondContact O-N 2.96Å; E757-T761 VanDerWaalsContact O-CB 3.31Å; E757-T761 WeakPolarHBondContact O-CB 3.43Å; E757-T761 PolarHBondContact O-N 2.93Å; E757-T761 PolarHBondContact O-OG1 3.15Å
758	Q	78.1	Confident	68.4	Low	122 Å²	122	115.9 Å²	115.9	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-64.5	-39.9	175.6	-73.9	175.7	25.1	0	0	112.5	L754 L756 K762	L754-Q758 WeakPolarHBondContact O-CB 3.28Å; L754-Q758 VanDerWaalsContact O-CG 3.26Å; L754-Q758 WeakPolarHBondContact O-CG 3.42Å; L754-Q758 PolarHBondContact O-N 2.95Å; L756-Q758 VanDerWaalsContact C-N 3.34Å; L756-Q758 PolarHBondContact O-N 2.91Å; Q758-K762 WeakPolarHBondContact O-CB 3.32Å; Q758-K762 PolarHBondContact O-N 2.85Å
759	R	74.1	Confident	69.6	Low	184 Å²	184	112.7 Å²	112.7	69%	0.694	55%	0.548	S	S	*	.	H	α-helix	trans	-62	-50.6	173	-90.2	-176.6	167	155.1	-0.9	112	E755 L756 T761 K762 E763	E755-R759 PolarHBondContact O-N 3.44Å; L756-R759 PolarHBondContact O-N 2.87Å; R759-T761 VanDerWaalsContact C-N 3.33Å; R759-T761 PolarHBondContact O-N 3.26Å; R759-K762 WeakPolarHBondContact O-CB 3.5Å; R759-K762 PolarHBondContact O-N 2.74Å; R759-K762 VanDerWaalsContact O-N 3.16Å; R759-E763 PolarHBondContact O-N 2.03Å
760	I	74.5	Confident	71.1	Confident	82 Å²	82	111.8 Å²	111.8	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-60.2	-44.4	179.6	-68.4	165.6	0	0	0	110.5	L756 E757 K762 E763 I764	L756-I760 HydrophobicContact CG-CD1 4.03Å; L756-I760 WeakPolarHBondContact O-CG1 3.23Å; L756-I760 PolarHBondContact O-N 3.23Å; E757-I760 PolarHBondContact O-N 2.96Å; I760-K762 VanDerWaalsContact C-N 3.33Å; I760-K762 PolarHBondContact O-N 3.36Å; I760-E763 PolarHBondContact O-N 3.3Å; I760-I764 HydrophobicContact CG2-CD1 3.76Å; I760-I764 HydrophobicContact CG2-CG1 4.48Å; I760-I764 VanDerWaalsContact O-CG1 3.28Å; I760-I764 WeakPolarHBondContact O-CG1 3.33Å; I760-I764 PolarHBondContact O-N 2.82Å
761	T	73.6	Confident	71.8	Confident	76 Å²	76	115 Å²	115	47%	0.466	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-39.6	177.2	-53.2	0	0	0	0	111.7	E757 R759 L765	E757-T761 VanDerWaalsContact O-CB 3.31Å; E757-T761 WeakPolarHBondContact O-CB 3.43Å; E757-T761 PolarHBondContact O-N 2.93Å; E757-T761 PolarHBondContact O-OG1 3.15Å; R759-T761 VanDerWaalsContact C-N 3.33Å; R759-T761 PolarHBondContact O-N 3.26Å; T761-L765 HydrophobicContact CG2-CD1 4.1Å; T761-L765 WeakPolarHBondContact O-CB 3.45Å; T761-L765 VanDerWaalsContact O-CG 3.29Å; T761-L765 WeakPolarHBondContact O-CG 3.47Å; T761-L765 PolarHBondContact O-N 3.36Å
762	K	78	Confident	72.4	Confident	152 Å²	152	115.2 Å²	115.2	66%	0.661	56%	0.562	S	S	*	*	H	α-helix	trans	-65.9	-43.8	176.1	-173.9	179.6	179.4	-176.9	0	112.2	Q758 R759 I760 L765 T766	Q758-K762 WeakPolarHBondContact O-CB 3.32Å; Q758-K762 PolarHBondContact O-N 2.85Å; R759-K762 WeakPolarHBondContact O-CB 3.5Å; R759-K762 PolarHBondContact O-N 2.74Å; R759-K762 VanDerWaalsContact O-N 3.16Å; I760-K762 VanDerWaalsContact C-N 3.33Å; I760-K762 PolarHBondContact O-N 3.36Å; K762-L765 PolarHBondContact O-N 3.1Å; K762-T766 PolarHBondContact O-N 3.05Å; K762-T766 VanDerWaalsContact O-N 3.1Å; K762-T766 PolarHBondContact O-OG1 3.5Å
763	E	72.6	Confident	73	Confident	133 Å²	133	114.2 Å²	114.2	62%	0.621	56%	0.558	S	S	*	*	H	α-helix	trans	-63.5	-44.5	177.3	-73.2	-178	164	0	0	111.5	R759 I760 L765 T766 S767	R759-E763 PolarHBondContact O-N 2.03Å; I760-E763 PolarHBondContact O-N 3.3Å; E763-L765 PolarHBondContact O-N 3.4Å; E763-T766 WeakPolarHBondContact CA-OG1 3.48Å; E763-T766 PolarHBondContact O-N 3.47Å; E763-T766 PolarHBondContact O-OG1 2.74Å; E763-S767 PolarHBondContact O-N 2.97Å
764	I	67.8	Low	72.9	Confident	64 Å²	64	113.2 Å²	113.2	33%	0.328	55%	0.552	S	S	.	*	H	α-helix	trans	-57	-49.9	174	-69.5	167.1	0	0	0	110.8	I760 T766 S767 M774	I760-I764 HydrophobicContact CG2-CD1 3.76Å; I760-I764 HydrophobicContact CG2-CG1 4.48Å; I760-I764 VanDerWaalsContact O-CG1 3.28Å; I760-I764 WeakPolarHBondContact O-CG1 3.33Å; I760-I764 PolarHBondContact O-N 2.82Å; I764-T766 PolarHBondContact O-N 3.21Å; I764-S767 PolarHBondContact O-N 3.13Å; I764-S767 PolarHBondContact O-OG 2.95Å; I764-M774 HydrophobicContact CG2-CE 4.43Å; I764-M774 HydrophobicContact CG2-SD 3.99Å
765	L	69	Low	73.1	Confident	143 Å²	143	113.7 Å²	113.7	75%	0.749	55%	0.554	S	S	*	*	H	α-helix	trans	-65	-21.4	179.8	-73.3	170.4	0	0	0	114.1	T761 K762 E763	T761-L765 HydrophobicContact CG2-CD1 4.1Å; T761-L765 WeakPolarHBondContact O-CB 3.45Å; T761-L765 VanDerWaalsContact O-CG 3.29Å; T761-L765 WeakPolarHBondContact O-CG 3.47Å; T761-L765 PolarHBondContact O-N 3.36Å; K762-L765 PolarHBondContact O-N 3.1Å; E763-L765 PolarHBondContact O-N 3.4Å
766	T	73.7	Confident	73.5	Confident	111 Å²	111	114.5 Å²	114.5	68%	0.681	56%	0.556	S	S	*	*	H	α-helix	trans	-87.5	-6.9	172.4	51.3	0	0	0	0	114.2	K762 E763 I764	K762-T766 PolarHBondContact O-N 3.05Å; K762-T766 VanDerWaalsContact O-N 3.1Å; K762-T766 PolarHBondContact O-OG1 3.5Å; E763-T766 WeakPolarHBondContact CA-OG1 3.48Å; E763-T766 PolarHBondContact O-N 3.47Å; E763-T766 PolarHBondContact O-OG1 2.74Å; I764-T766 PolarHBondContact O-N 3.21Å
767	S	62.3	Low	73.9	Confident	46 Å²	46	113.8 Å²	113.8	32%	0.322	55%	0.552	S	S	.	*	S	Bend	trans	-98	129.5	-176.3	74.1	0	0	0	0	111.9	E763 I764 I769	E763-S767 PolarHBondContact O-N 2.97Å; I764-S767 PolarHBondContact O-N 3.13Å; I764-S767 PolarHBondContact O-OG 2.95Å; S767-I769 PolarHBondContact O-N 3.47Å; S767-I769 VanDerWaalsContact OG-CD1 3.29Å; S767-I769 WeakPolarHBondContact OG-CD1 3.45Å; S767-I769 WeakPolarHBondContact OG-CG1 3.44Å
768	K	70.5	Confident	73.7	Confident	220 Å²	220	113.2 Å²	113.2	96%	0.957	55%	0.549	S	S	*	.			trans	-82.2	65.9	171.8	-69.3	-174	177.9	-177.8	0	110.2
769	I	72.1	Confident	73.7	Confident	61 Å²	61	112.6 Å²	112.6	31%	0.313	55%	0.547	S	S	.	.			trans	-99.8	127.4	177.4	-62.5	177.5	0	0	0	107.8	S767 E773 M774 L777	S767-I769 PolarHBondContact O-N 3.47Å; S767-I769 VanDerWaalsContact OG-CD1 3.29Å; S767-I769 WeakPolarHBondContact OG-CD1 3.45Å; S767-I769 WeakPolarHBondContact OG-CG1 3.44Å; I769-E773 HydrophobicContact CG2-CB 3.59Å; I769-M774 HydrophobicContact CG2-CB 4.07Å; I769-M774 HydrophobicContact CG2-CG 4.14Å; I769-L777 HydrophobicContact CD1-CD1 3.97Å; I769-L777 HydrophobicContact CG2-CD1 4.28Å
770	D	78.1	Confident	74	Confident	127 Å²	127	110.1 Å²	110.1	68%	0.679	54%	0.541	S	S	*	.			trans	-65.5	147.8	176.4	-75.6	-35.3	0	0	0	110.8	E772 E773 M774	D770-E772 PolarHBondContact O-N 3.23Å; D770-E772 VanDerWaalsContact O-N 3.07Å; D770-E773 WeakPolarHBondContact O-CA 3.43Å; D770-E773 PolarHBondContact O-N 3.03Å; D770-M774 PolarHBondContact O-N 2.03Å
771	E	71.5	Confident	74.1	Confident	165 Å²	165	110.8 Å²	110.8	77%	0.771	54%	0.544	S	S	*	.	H	α-helix	trans	-55.6	-34.7	-171.4	-166.3	167.3	-144.5	0	0	112.8	M774 I775	E771-M774 PolarHBondContact O-N 3.25Å; E771-I775 WeakPolarHBondContact O-CG1 3.09Å; E771-I775 PolarHBondContact O-N 3.12Å; E771-I775 VanDerWaalsContact O-N 3.09Å
772	E	77.9	Confident	74.1	Confident	130 Å²	130	113.5 Å²	113.5	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-70	-34.8	176	-154.6	-163.4	138.3	0	0	113.4	D770 K776	D770-E772 PolarHBondContact O-N 3.23Å; D770-E772 VanDerWaalsContact O-N 3.07Å; E772-K776 WeakPolarHBondContact O-CD 3.44Å; E772-K776 VanDerWaalsContact O-CG 3.26Å; E772-K776 WeakPolarHBondContact O-CG 3.28Å; E772-K776 PolarHBondContact O-N 2.97Å; E772-K776 WeakPolarHBondContact OE1-CE 3.33Å; E772-K776 IonicContact OE1-NZ 2.57Å; E772-K776 PolarHBondContact OE1-NZ 3.05Å
773	E	76.9	Confident	73.9	Confident	113 Å²	113	111.2 Å²	111.2	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-73.3	-36.3	172.8	-70	-156.7	136.4	0	0	111.6	I769 D770 I775 K776 L777	I769-E773 HydrophobicContact CG2-CB 3.59Å; D770-E773 WeakPolarHBondContact O-CA 3.43Å; D770-E773 PolarHBondContact O-N 3.03Å; E773-I775 VanDerWaalsContact C-N 3.34Å; E773-I775 PolarHBondContact O-N 2.8Å; E773-K776 PolarHBondContact O-N 3.02Å; E773-L777 WeakPolarHBondContact O-CB 3.09Å; E773-L777 PolarHBondContact O-N 2.83Å
774	M	67	Low	73.6	Confident	58 Å²	58	110.9 Å²	110.9	29%	0.286	54%	0.54	S	S	.	.	H	α-helix	trans	-61.6	-42.1	177.4	-133.2	-79.7	-77.4	0	0	111.1	I764 I769 D770 E771 L777 Q778	I764-M774 HydrophobicContact CG2-CE 4.43Å; I764-M774 HydrophobicContact CG2-SD 3.99Å; I769-M774 HydrophobicContact CG2-CB 4.07Å; I769-M774 HydrophobicContact CG2-CG 4.14Å; D770-M774 PolarHBondContact O-N 2.03Å; E771-M774 PolarHBondContact O-N 3.25Å; M774-L777 PolarHBondContact O-N 3.4Å; M774-Q778 PolarHBondContact O-N 3.1Å; M774-Q778 HydrophobicContact SD-CG 4.43Å
775	I	79.1	Confident	73.3	Confident	103 Å²	103	112.6 Å²	112.6	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-63.1	-47.9	172.8	-68.4	164.7	0	0	0	111.3	E771 E773 L777 Q778 E779	E771-I775 WeakPolarHBondContact O-CG1 3.09Å; E771-I775 PolarHBondContact O-N 3.12Å; E771-I775 VanDerWaalsContact O-N 3.09Å; E773-I775 VanDerWaalsContact C-N 3.34Å; E773-I775 PolarHBondContact O-N 2.8Å; I775-L777 VanDerWaalsContact C-N 3.29Å; I775-L777 PolarHBondContact O-N 3.25Å; I775-Q778 PolarHBondContact O-N 2.87Å; I775-E779 PolarHBondContact O-N 3.33Å
776	K	81.9	Confident	73	Confident	111 Å²	111	110.3 Å²	110.3	48%	0.483	54%	0.54	S	S	.	.	H	α-helix	trans	-60.3	-37.6	177.9	-70.3	163.8	-169.5	165	0	112.3	E772 E773 K780	E772-K776 WeakPolarHBondContact O-CD 3.44Å; E772-K776 VanDerWaalsContact O-CG 3.26Å; E772-K776 WeakPolarHBondContact O-CG 3.28Å; E772-K776 PolarHBondContact O-N 2.97Å; E772-K776 WeakPolarHBondContact OE1-CE 3.33Å; E772-K776 IonicContact OE1-NZ 2.57Å; E772-K776 PolarHBondContact OE1-NZ 3.05Å; E773-K776 PolarHBondContact O-N 3.02Å; K776-K780 VanDerWaalsContact O-CB 3.26Å; K776-K780 WeakPolarHBondContact O-CB 3.02Å; K776-K780 PolarHBondContact O-N 3.03Å
777	L	75.6	Confident	72.2	Confident	81 Å²	81	110.2 Å²	110.2	42%	0.424	54%	0.536	S	S	.	.	H	α-helix	trans	-67.1	-48.1	175	-84.1	162.1	0	0	0	112	I769 E773 M774 I775 E779 K780 I781	I769-L777 HydrophobicContact CD1-CD1 3.97Å; I769-L777 HydrophobicContact CG2-CD1 4.28Å; E773-L777 WeakPolarHBondContact O-CB 3.09Å; E773-L777 PolarHBondContact O-N 2.83Å; M774-L777 PolarHBondContact O-N 3.4Å; I775-L777 VanDerWaalsContact C-N 3.29Å; I775-L777 PolarHBondContact O-N 3.25Å; L777-E779 VanDerWaalsContact C-N 3.32Å; L777-E779 PolarHBondContact O-N 3.32Å; L777-K780 PolarHBondContact O-N 2.97Å; L777-I781 WeakPolarHBondContact O-CB 3.27Å; L777-I781 VanDerWaalsContact O-CG1 3.29Å; L777-I781 WeakPolarHBondContact O-CG1 3.29Å; L777-I781 PolarHBondContact O-N 3.37Å
778	Q	72.6	Confident	71.5	Confident	96 Å²	96	112 Å²	112	45%	0.449	54%	0.544	S	S	.	.	H	α-helix	trans	-59.2	-42.3	175.7	-76.1	-162.6	7	0	0	112.4	M774 I775 K782	M774-Q778 PolarHBondContact O-N 3.1Å; M774-Q778 HydrophobicContact SD-CG 4.43Å; I775-Q778 PolarHBondContact O-N 2.87Å; Q778-K782 WeakPolarHBondContact O-CG 3.3Å; Q778-K782 PolarHBondContact O-N 3.39Å
779	E	79.9	Confident	70.4	Confident	109 Å²	109	111 Å²	111	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-68.1	-42.3	179.3	-174.7	164	-159	0	0	111.7	I775 L777 I781 K782 Q783	I775-E779 PolarHBondContact O-N 3.33Å; L777-E779 VanDerWaalsContact C-N 3.32Å; L777-E779 PolarHBondContact O-N 3.32Å; E779-I781 PolarHBondContact O-N 2.96Å; E779-K782 PolarHBondContact O-N 3.48Å; E779-Q783 HydrophobicContact CG-CG 4.47Å; E779-Q783 WeakPolarHBondContact O-CB 3.33Å; E779-Q783 WeakPolarHBondContact O-CG 3.14Å; E779-Q783 PolarHBondContact O-N 3.17Å
780	K	80.3	Confident	68.8	Low	131 Å²	131	114.9 Å²	114.9	57%	0.57	56%	0.555	S	S	*	*	H	α-helix	trans	-60.8	-43.1	174.8	-171.2	176.8	-179.2	-176.7	0	112.3	K776 L777 Q783 E784	K776-K780 VanDerWaalsContact O-CB 3.26Å; K776-K780 WeakPolarHBondContact O-CB 3.02Å; K776-K780 PolarHBondContact O-N 3.03Å; L777-K780 PolarHBondContact O-N 2.97Å; K780-Q783 PolarHBondContact O-N 3.1Å; K780-E784 PolarHBondContact O-N 2.99Å
781	I	76.2	Confident	67.1	Low	96 Å²	96	116.4 Å²	116.4	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-45.1	176	-69.6	165.7	0	0	0	110.8	L777 E779 Q783 E784 I785	L777-I781 WeakPolarHBondContact O-CB 3.27Å; L777-I781 VanDerWaalsContact O-CG1 3.29Å; L777-I781 WeakPolarHBondContact O-CG1 3.29Å; L777-I781 PolarHBondContact O-N 3.37Å; E779-I781 PolarHBondContact O-N 2.96Å; I781-Q783 VanDerWaalsContact C-N 3.33Å; I781-Q783 PolarHBondContact O-N 2.99Å; I781-E784 PolarHBondContact O-N 2.74Å; I781-I785 HydrophobicContact CG2-CD1 3.79Å; I781-I785 VanDerWaalsContact O-CG1 3.3Å; I781-I785 WeakPolarHBondContact O-CG1 3.1Å; I781-I785 PolarHBondContact O-N 2.98Å
782	K	73.3	Confident	65.5	Low	133 Å²	133	117.1 Å²	117.1	58%	0.578	56%	0.556	S	S	*	*	H	α-helix	trans	-58.5	-43.2	173.3	-79.1	173.1	176.6	166.9	0	111.9	Q778 E779 I785 V786	Q778-K782 WeakPolarHBondContact O-CG 3.3Å; Q778-K782 PolarHBondContact O-N 3.39Å; E779-K782 PolarHBondContact O-N 3.48Å; K782-I785 PolarHBondContact O-N 3.07Å; K782-V786 WeakPolarHBondContact O-CB 3Å; K782-V786 VanDerWaalsContact O-CG2 3.31Å; K782-V786 WeakPolarHBondContact O-CG2 3.38Å; K782-V786 PolarHBondContact O-N 2.86Å
783	Q	73	Confident	63.2	Low	104 Å²	104	114.6 Å²	114.6	49%	0.486	57%	0.566	S	S	.	*	H	α-helix	trans	-67.1	-37	178.8	-71.7	-178	19.8	0	0	112.8	E779 K780 I781 N787	E779-Q783 HydrophobicContact CG-CG 4.47Å; E779-Q783 WeakPolarHBondContact O-CB 3.33Å; E779-Q783 WeakPolarHBondContact O-CG 3.14Å; E779-Q783 PolarHBondContact O-N 3.17Å; K780-Q783 PolarHBondContact O-N 3.1Å; I781-Q783 VanDerWaalsContact C-N 3.33Å; I781-Q783 PolarHBondContact O-N 2.99Å; Q783-N787 VanDerWaalsContact O-CB 3.27Å; Q783-N787 WeakPolarHBondContact O-CB 3.41Å; Q783-N787 PolarHBondContact O-N 3Å; Q783-N787 PolarHBondContact O-ND2 2.95Å
784	E	67.3	Low	61.1	Low	127 Å²	127	117.1 Å²	117.1	59%	0.593	58%	0.577	S	S	*	*	H	α-helix	trans	-69.9	-41.6	174.7	-73.9	-169	161.4	0	0	112.4	K780 I781 V786 N787 T788	K780-E784 PolarHBondContact O-N 2.99Å; I781-E784 PolarHBondContact O-N 2.74Å; E784-V786 PolarHBondContact O-N 3.39Å; E784-N787 PolarHBondContact O-N 2.93Å; E784-T788 PolarHBondContact O-N 2.93Å; E784-T788 PolarHBondContact O-OG1 3.46Å
785	I	61.8	Low	59.3	Low	100 Å²	100	122 Å²	122	51%	0.513	60%	0.599	S	S	.	*	H	α-helix	trans	-58.9	-46.9	174.8	-68.6	167.2	0	0	0	110.5	I781 K782 T788	I781-I785 HydrophobicContact CG2-CD1 3.79Å; I781-I785 VanDerWaalsContact O-CG1 3.3Å; I781-I785 WeakPolarHBondContact O-CG1 3.1Å; I781-I785 PolarHBondContact O-N 2.98Å; K782-I785 PolarHBondContact O-N 3.07Å; I785-T788 WeakPolarHBondContact O-CB 3.34Å; I785-T788 PolarHBondContact O-N 2.92Å
786	V	63.1	Low	57.1	Low	94 Å²	94	126.2 Å²	126.2	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-71.9	-29.4	-179.2	172.5	0	0	0	0	113.1	K782 E784	K782-V786 WeakPolarHBondContact O-CB 3Å; K782-V786 VanDerWaalsContact O-CG2 3.31Å; K782-V786 WeakPolarHBondContact O-CG2 3.38Å; K782-V786 PolarHBondContact O-N 2.86Å; E784-V786 PolarHBondContact O-N 3.39Å
787	N	55.2	Low	54.7	Low	110 Å²	110	125.9 Å²	125.9	59%	0.588	63%	0.626	S	S	*	*	H	α-helix	trans	-85.9	-7	175.2	-74.2	-54.6	0	0	0	113.9	Q783 E784 K789	Q783-N787 VanDerWaalsContact O-CB 3.27Å; Q783-N787 WeakPolarHBondContact O-CB 3.41Å; Q783-N787 PolarHBondContact O-N 3Å; Q783-N787 PolarHBondContact O-ND2 2.95Å; E784-N787 PolarHBondContact O-N 2.93Å; N787-K789 PolarHBondContact O-N 3.34Å
788	T	48.1	Very low	52.6	Low	82 Å²	82	134 Å²	134	50%	0.503	65%	0.651	S	S	.	*	S	Bend	trans	-61.2	136.1	170.5	-61.6	0	0	0	0	109.5	E784 I785 F790	E784-T788 PolarHBondContact O-N 2.93Å; E784-T788 PolarHBondContact O-OG1 3.46Å; I785-T788 WeakPolarHBondContact O-CB 3.34Å; I785-T788 PolarHBondContact O-N 2.92Å; T788-F790 PolarHBondContact O-N 2.93Å
789	K	47.4	Very low	50.9	Low	201 Å²	201	139.2 Å²	139.2	87%	0.874	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	16.9	-163.7	-65.7	172.9	-178.4	165.6	0	115.8	N787	N787-K789 PolarHBondContact O-N 3.34Å
790	F	39.3	Very low	48.6	Very low	142 Å²	142	143.8 Å²	143.8	62%	0.623	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-27.6	-176.9	-135.4	-103	0	0	0	113.4	T788 D825	T788-F790 PolarHBondContact O-N 2.93Å; F790-D825 HydrophobicContact CE2-CB 4.49Å
791	F	41.7	Very low	46.6	Very low	158 Å²	158	146.7 Å²	146.7	69%	0.693	70%	0.703	S	S	*	*	S	Bend	trans	-100.6	-0.6	-167.5	-82.5	-77.5	0	0	0	116.8
792	K	38	Very low	44.7	Very low	180 Å²	180	153.2 Å²	153.2	78%	0.783	72%	0.721	S	S	*	*			trans	-117	86.1	178.1	-75.9	-178.6	178.6	170.1	0	112
793	G	29.9	Very low	43.2	Very low	78 Å²	78	154.6 Å²	154.6	80%	0.804	73%	0.728	S	S	*	*			trans	-118.5	83.6	176.8	0	0	0	0	0	113
794	E	33.5	Very low	41.8	Very low	165 Å²	165	155 Å²	155	77%	0.771	73%	0.733	S	S	*	*			trans	-146.6	120.1	162.9	-138.9	163.7	-161.9	0	0	115.9
795	Q	28.7	Very low	40.8	Very low	161 Å²	161	155.4 Å²	155.4	75%	0.752	74%	0.735	S	S	*	*			trans	19.2	132.9	140.5	-46.8	-179.3	72.8	0	0	120.6
796	Q	32.4	Very low	39.7	Very low	192 Å²	192	161.4 Å²	161.4	90%	0.897	75%	0.751	S	S	*	*				-171.1	168.7	122.6	-100	-151.4	43.9	0	0	112.6
797	P	32.6	Very low	38.6	Very low	104 Å²	104	161.5 Å²	161.5	68%	0.675	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-101.6	161.8	-144.3	38.4	-38.3	0	0	0	117.6
798	R	30.4	Very low	37.9	Very low	251 Å²	251	161.1 Å²	161.1	95%	0.947	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-94.8	119.3	173.2	-75.2	-178.2	166.7	-177.3	-4.9	113.3
799	K	36.9	Very low	37.5	Very low	206 Å²	206	161 Å²	161	90%	0.896	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-102.2	171.7	160.6	-72.9	-179.3	177.6	175.1	0	110.8
800	K	31.8	Very low	37	Very low	204 Å²	204	159.2 Å²	159.2	89%	0.887	78%	0.781	S	S	*	*			trans	-111.3	170.4	-158.5	-65.7	178.8	178.3	174.6	0	115.1
801	K	37.3	Very low	36.9	Very low	192 Å²	192	156.8 Å²	156.8	84%	0.835	79%	0.787	S	S	*	*			trans	90.1	120.2	173.2	-65.8	179.9	178.2	177.5	0	113.4
802	R	37.7	Very low	36.8	Very low	233 Å²	233	156 Å²	156	88%	0.879	80%	0.798	S	S	*	*				75.8	139.7	70.9	-82.1	-176	167.8	-177.6	-2.9	110.9
803	K	41.9	Very low	36.8	Very low	163 Å²	163	151.9 Å²	151.9	71%	0.709	80%	0.798	S	S	*	*			cis	-163.6	143	24.2	-152.6	-166	175.6	-173.6	0	112.1
804	N	42	Very low	37	Very low	112 Å²	112	158.8 Å²	158.8	60%	0.599	80%	0.801	S	S	*	*			trans	61.2	160.8	148.4	-73.6	17	0	0	0	120
805	Q	46.2	Very low	37.1	Very low	135 Å²	135	156.1 Å²	156.1	63%	0.631	80%	0.798	S	S	*	*			cis	-156.6	152.5	1.2	-128.8	162.1	16.2	0	0	112.9
806	R	39.9	Very low	37.4	Very low	226 Å²	226	160.1 Å²	160.1	85%	0.853	81%	0.806	S	S	*	*			trans	40.7	136.1	144.6	-73.3	168.8	-176.9	172.3	-4.7	120.4
807	A	40.1	Very low	37.5	Very low	97 Å²	97	158.3 Å²	158.3	80%	0.802	80%	0.803	S	S	*	*			cis	-152.1	-145.4	3.5	0	0	0	0	0	109.6
808	A	39.9	Very low	37.3	Very low	102 Å²	102	156.2 Å²	156.2	84%	0.843	80%	0.8	S	S	*	*			cis	-158	-162	7.6	0	0	0	0	0	113.6
809	A	39.5	Very low	37.5	Very low	78 Å²	78	151.2 Å²	151.2	65%	0.645	79%	0.791	S	S	*	*			trans	-71	168.7	179	0	0	0	0	0	116.4
810	D	36.7	Very low	37.1	Very low	164 Å²	164	151.4 Å²	151.4	88%	0.877	79%	0.792	S	S	*	*			cis	-164.2	138.5	-20	-98.2	-32.1	0	0	0	110.6
811	A	37.3	Very low	37.1	Very low	91 Å²	91	149.7 Å²	149.7	75%	0.752	79%	0.787	S	S	*	*			trans	-170.5	126	159.4	0	0	0	0	0	111.2
812	P	40	Very low	36.7	Very low	141 Å²	141	145.1 Å²	145.1	92%	0.916	78%	0.779	S	S	*	*			trans	-87.7	118.8	-176.1	32.2	-33	0	0	0	113.4
813	A	37.9	Very low	36.4	Very low	95 Å²	95	144.8 Å²	144.8	79%	0.785	78%	0.779	S	S	*	*			trans	-104.7	146.2	169.3	0	0	0	0	0	111.6
814	Y	34.3	Very low	36	Very low	222 Å²	222	145.1 Å²	145.1	87%	0.871	78%	0.78	S	S	*	*			trans	-58.6	142.3	-177.7	-81	-99.6	0	0	0	113.1	R816	Y814-R816 PolarHBondContact O-N 2.87Å
815	P	36.6	Very low	35.6	Very low	109 Å²	109	145.4 Å²	145.4	71%	0.708	78%	0.782	S	S	*	*			trans	-72	90.9	-176.3	29.5	-35.4	0	0	0	112.1	N817	P815-N817 VanDerWaalsContact C-N 3.34Å; P815-N817 PolarHBondContact O-N 3.09Å
816	R	34.4	Very low	34.8	Very low	246 Å²	246	143 Å²	143	93%	0.928	79%	0.793	S	S	*	*			trans	-70.1	87.3	171.3	-162.9	-175.4	-151.3	178.4	8.8	109.5	Y814 G818	Y814-R816 PolarHBondContact O-N 2.87Å; R816-G818 PolarHBondContact O-N 3.02Å
817	N	33.4	Very low	34.2	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	78%	0.776	S	S	*	*			trans	-67.4	64.3	177.5	-86.3	-16.8	0	0	0	112.8	P815 I819	P815-N817 VanDerWaalsContact C-N 3.34Å; P815-N817 PolarHBondContact O-N 3.09Å; N817-I819 PolarHBondContact O-N 3.3Å
818	G	29.5	Very low	33.9	Very low	60 Å²	60	138 Å²	138	62%	0.619	78%	0.779	S	S	*	*			trans	-77.3	101.9	167.1	0	0	0	0	0	109.9	R816 K820	R816-G818 PolarHBondContact O-N 3.02Å; G818-K820 PolarHBondContact O-N 2.93Å
819	I	34	Very low	33.6	Very low	146 Å²	146	139.8 Å²	139.8	75%	0.749	77%	0.774	S	S	*	*			trans	-64.8	102.9	169.1	-62.4	178.3	0	0	0	107.7	N817 E821	N817-I819 PolarHBondContact O-N 3.3Å; I819-E821 HydrophobicContact CG2-CB 4.31Å; I819-E821 HydrophobicContact CG2-CG 3.87Å; I819-E821 PolarHBondContact O-N 2.95Å
820	K	28.7	Very low	33.4	Very low	210 Å²	210	141.7 Å²	141.7	91%	0.913	78%	0.78	S	S	*	*			trans	-73.7	70.2	169.4	-73.4	-173.6	175.4	-178.4	0	109.9	G818	G818-K820 PolarHBondContact O-N 2.93Å
821	E	31.9	Very low	34.1	Very low	168 Å²	168	138.6 Å²	138.6	79%	0.785	76%	0.756	S	S	*	*			trans	-72.6	129.5	164.3	-94.4	-179.4	-176.5	0	0	109.8	I819 Y823	I819-E821 HydrophobicContact CG2-CB 4.31Å; I819-E821 HydrophobicContact CG2-CG 3.87Å; I819-E821 PolarHBondContact O-N 2.95Å; E821-Y823 PolarHBondContact O-N 3.32Å; E821-Y823 VanDerWaalsContact O-N 3.1Å
822	S	28.8	Very low	35.3	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	74%	0.744	S	S	*	*			trans	-80.3	95.1	-164.3	171.6	0	0	0	0	111	K824	S822-K824 PolarHBondContact O-N 2.73Å
823	Y	31.8	Very low	36.8	Very low	227 Å²	227	134.9 Å²	134.9	89%	0.89	73%	0.725	S	S	*	*			trans	-57.6	103.1	157.4	-105.6	-99	0	0	0	108.9	E821	E821-Y823 PolarHBondContact O-N 3.32Å; E821-Y823 VanDerWaalsContact O-N 3.1Å
824	K	33.2	Very low	38.6	Very low	169 Å²	169	132.3 Å²	132.3	74%	0.735	70%	0.703	S	S	*	*			trans	-122.2	146.4	167.4	-94.6	-167.3	171.4	-159.6	0	108.8	S822	S822-K824 PolarHBondContact O-N 2.73Å
825	D	33	Very low	40.9	Very low	119 Å²	119	124.1 Å²	124.1	64%	0.636	68%	0.676	S	S	*	*			trans	-43.1	139.1	-165.7	-52.9	-79.4	0	0	0	116.6	F790 G827	F790-D825 HydrophobicContact CE2-CB 4.49Å; D825-G827 PolarHBondContact O-N 2.96Å
826	G	29.6	Very low	43.1	Very low	83 Å²	83	121 Å²	121	86%	0.856	66%	0.655	S	S	*	*	S	Bend		69.8	-7.4	107.9	0	0	0	0	0	119.2
827	G	27.4	Very low	45.6	Very low	48 Å²	48	112.2 Å²	112.2	50%	0.495	62%	0.624	S	S	.	*	S	Bend	trans	-129.5	142.2	176.4	0	0	0	0	0	111.2	D825 L829	D825-G827 PolarHBondContact O-N 2.96Å; G827-L829 PolarHBondContact O-N 3.15Å
828	I	34.7	Very low	48.4	Very low	171 Å²	171	105 Å²	105	88%	0.877	59%	0.586	S	S	*	*			trans	-72.6	78.7	170.3	-54.2	178.2	0	0	0	108
829	L	33.7	Very low	51.2	Low	140 Å²	140	104.5 Å²	104.5	73%	0.733	57%	0.565	S	S	*	*			trans	-49.8	130.2	164	-79.7	170.4	0	0	0	107.6	G827 R831	G827-L829 PolarHBondContact O-N 3.15Å; L829-R831 PolarHBondContact O-N 3.11Å
830	P	34	Very low	53.9	Low	118 Å²	118	97.6 Å²	97.6	77%	0.766	53%	0.53	S	S	*	.			trans	-62.3	97.5	-169.5	22.7	-33.4	0	0	0	110.1	S832	P830-S832 PolarHBondContact O-N 3.11Å
831	R	51.9	Low	56.9	Low	98 Å²	98	90 Å²	90	37%	0.37	50%	0.499	S	S	.	.			trans	-55.7	117.8	-171	-149.3	-163.5	172.1	130.9	-14.7	107.2	S608 L829 T833 T835 V836 D927	S608-R831 PolarHBondContact O-NH1 2.83Å; S608-R831 PolarHBondContact O-NH2 2.95Å; S608-R831 PolarHBondContact OG-NH1 3.08Å; L829-R831 PolarHBondContact O-N 3.11Å; R831-T833 PolarHBondContact O-N 2.98Å; R831-T835 WeakPolarHBondContact CD-OG1 3.29Å; R831-T835 VanDerWaalsContact CG-OG1 3.28Å; R831-T835 WeakPolarHBondContact CG-OG1 3.07Å; R831-V836 HydrophobicContact CB-CG2 4.5Å; R831-D927 IonicContact NH2-OD2 2.76Å; R831-D927 PolarHBondContact NH2-OD2 3.44Å; R831-D927 VanDerWaalsContact NH2-OD2 3.16Å
832	S	62.9	Low	59.9	Low	71 Å²	71	82 Å²	82	50%	0.497	46%	0.462	S	S	.	.			trans	-42.3	134.4	-168.2	166.7	0	0	0	0	111.2	P830 A834 T835 V836	P830-S832 PolarHBondContact O-N 3.11Å; S832-A834 CarbonylContact O-C 3.58Å; S832-A834 PolarHBondContact O-N 2.85Å; S832-T835 WeakPolarHBondContact O-CA 3.35Å; S832-T835 WeakPolarHBondContact O-CB 3.35Å; S832-T835 PolarHBondContact O-N 3.47Å; S832-T835 PolarHBondContact O-OG1 2.84Å; S832-V836 PolarHBondContact O-N 3.37Å
833	T	71.9	Confident	63	Low	84 Å²	84	77.7 Å²	77.7	52%	0.515	43%	0.431	S	S	.	.	H	α-helix	trans	-56.3	-24.4	-174.5	55.2	0	0	0	0	112.9	R831 K837	R831-T833 PolarHBondContact O-N 2.98Å; T833-K837 VanDerWaalsContact O-CB 3.3Å; T833-K837 WeakPolarHBondContact O-CB 3.32Å; T833-K837 PolarHBondContact O-N 2.78Å; T833-K837 VanDerWaalsContact O-N 3.13Å
834	A	75.4	Confident	65.9	Low	40 Å²	40	68.7 Å²	68.7	33%	0.331	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-37.6	169.9	0	0	0	0	0	113.5	S832 A838 I902	S832-A834 CarbonylContact O-C 3.58Å; S832-A834 PolarHBondContact O-N 2.85Å; A834-A838 VanDerWaalsContact O-CB 3.26Å; A834-A838 WeakPolarHBondContact O-CB 3.35Å; A834-A838 PolarHBondContact O-N 2.8Å; A834-I902 HydrophobicContact CB-CG2 4.33Å; A834-I902 VanDerWaalsContact O-CD1 3.26Å; A834-I902 WeakPolarHBondContact O-CD1 3.23Å
835	T	82.2	Confident	68.9	Low	51 Å²	51	62.9 Å²	62.9	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-73.6	-39.8	178.9	66.8	0	0	0	0	112.7	R831 S832 A838 R839	R831-T835 WeakPolarHBondContact CD-OG1 3.29Å; R831-T835 VanDerWaalsContact CG-OG1 3.28Å; R831-T835 WeakPolarHBondContact CG-OG1 3.07Å; S832-T835 WeakPolarHBondContact O-CA 3.35Å; S832-T835 WeakPolarHBondContact O-CB 3.35Å; S832-T835 PolarHBondContact O-N 3.47Å; S832-T835 PolarHBondContact O-OG1 2.84Å; T835-A838 WeakPolarHBondContact O-CB 3Å; T835-A838 PolarHBondContact O-N 3.33Å; T835-R839 PolarHBondContact O-N 3.12Å
836	V	83.7	Confident	72	Confident	44 Å²	44	57.2 Å²	57.2	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-47.6	173.8	179.1	0	0	0	0	109.5	T687 R831 S832 A838 R839 S840	T687-V836 HydrophobicContact CG2-CB 4.25Å; T687-V836 HydrophobicContact CG2-CG1 4.04Å; R831-V836 HydrophobicContact CB-CG2 4.5Å; S832-V836 PolarHBondContact O-N 3.37Å; V836-A838 VanDerWaalsContact C-N 3.3Å; V836-A838 PolarHBondContact O-N 3.18Å; V836-R839 PolarHBondContact O-N 3.25Å; V836-S840 WeakPolarHBondContact O-CB 3.27Å; V836-S840 PolarHBondContact O-N 2.04Å
837	K	86.6	Confident	75.2	Confident	60 Å²	60	53.3 Å²	53.3	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-37.6	172.5	180	175.5	174.1	-173.4	0	112.7	T833 S840 L841 I902 G906	T833-K837 VanDerWaalsContact O-CB 3.3Å; T833-K837 WeakPolarHBondContact O-CB 3.32Å; T833-K837 PolarHBondContact O-N 2.78Å; T833-K837 VanDerWaalsContact O-N 3.13Å; K837-S840 PolarHBondContact O-N 2.91Å; K837-L841 HydrophobicContact CG-CD1 4.11Å; K837-L841 HydrophobicContact CG-CG 4.44Å; K837-L841 WeakPolarHBondContact O-CG 3.42Å; K837-L841 PolarHBondContact O-N 2.7Å; K837-I902 HydrophobicContact CB-CD1 4.42Å; K837-I902 HydrophobicContact CD-CD1 4.37Å; K837-I902 HydrophobicContact CG-CD1 4.22Å; K837-G906 WeakPolarHBondContact CE-O 3.34Å; K837-G906 PolarHBondContact NZ-O 3Å
838	A	90.5	Very high	78.5	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-52.1	177.9	0	0	0	0	0	111.4	A834 T835 V836 S840 L841 M842 I902 L908 L926	A834-A838 VanDerWaalsContact O-CB 3.26Å; A834-A838 WeakPolarHBondContact O-CB 3.35Å; A834-A838 PolarHBondContact O-N 2.8Å; T835-A838 WeakPolarHBondContact O-CB 3Å; T835-A838 PolarHBondContact O-N 3.33Å; V836-A838 VanDerWaalsContact C-N 3.3Å; V836-A838 PolarHBondContact O-N 3.18Å; A838-S840 VanDerWaalsContact C-N 3.28Å; A838-S840 PolarHBondContact O-N 2.91Å; A838-L841 PolarHBondContact O-N 3.16Å; A838-M842 WeakPolarHBondContact O-CB 3.04Å; A838-M842 PolarHBondContact O-N 3.4Å; A838-I902 HydrophobicContact CB-CB 3.87Å; A838-I902 HydrophobicContact CB-CD1 4.1Å; A838-I902 HydrophobicContact CB-CG2 4.04Å; A838-L908 HydrophobicContact CB-CD2 4.41Å; A838-L926 VanDerWaalsContact C-CD1 3.47Å; A838-L926 HydrophobicContact CB-CD1 3.74Å; A838-L926 HydrophobicContact CB-CD2 4.09Å
839	R	89.6	Confident	81.5	Confident	49 Å²	49	44.4 Å²	44.4	19%	0.185	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-44.6	175.7	-170.3	-166.2	-63.8	123.5	12.4	110.2	S608 L609 A610 T835 V836 L841 M842 N843 L926	S608-R839 VanDerWaalsContact C-NH2 3.26Å; S608-R839 VanDerWaalsContact CA-NH2 3.35Å; S608-R839 PolarHBondContact O-NH2 3.1Å; L609-R839 PolarHBondContact O-NE 3.04Å; A610-R839 HydrophobicContact CB-CG 4.41Å; T835-R839 PolarHBondContact O-N 3.12Å; V836-R839 PolarHBondContact O-N 3.25Å; R839-L841 VanDerWaalsContact C-N 3.34Å; R839-L841 PolarHBondContact O-N 3.38Å; R839-M842 HydrophobicContact CG-CE 3.94Å; R839-M842 CarbonylContact O-C 3.59Å; R839-M842 WeakPolarHBondContact O-CA 3.26Å; R839-M842 VanDerWaalsContact O-CB 3.32Å; R839-M842 WeakPolarHBondContact O-CB 3.44Å; R839-M842 PolarHBondContact O-N 3.18Å; R839-N843 WeakPolarHBondContact O-CB 3.34Å; R839-N843 VanDerWaalsContact O-CG 3.27Å; R839-N843 PolarHBondContact O-N 3.08Å; R839-N843 PolarHBondContact O-OD1 3.34Å; R839-L926 HydrophobicContact CB-CD1 4.46Å
840	S	90	Very high	84.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-38.8	-177.2	-165.9	0	0	0	0	113.3	E680 T683 N684 V836 K837 A838 L844	E680-S840 WeakPolarHBondContact CA-OG 3.24Å; E680-S840 WeakPolarHBondContact CB-OG 3.42Å; E680-S840 PolarHBondContact O-OG 3.26Å; E680-S840 VanDerWaalsContact O-OG 3.08Å; E680-S840 VanDerWaalsContact OE2-CA 3.24Å; E680-S840 WeakPolarHBondContact OE2-CA 3.39Å; E680-S840 WeakPolarHBondContact OE2-CB 3.33Å; E680-S840 PolarHBondContact OE2-OG 2.84Å; T683-S840 PolarHBondContact OG1-OG 3.16Å; T683-S840 VanDerWaalsContact OG1-OG 3.1Å; N684-S840 WeakPolarHBondContact ND2-CB 3.43Å; N684-S840 PolarHBondContact ND2-OG 3.33Å; V836-S840 WeakPolarHBondContact O-CB 3.27Å; V836-S840 PolarHBondContact O-N 2.04Å; K837-S840 PolarHBondContact O-N 2.91Å; A838-S840 VanDerWaalsContact C-N 3.28Å; A838-S840 PolarHBondContact O-N 2.91Å; S840-L844 WeakPolarHBondContact O-CB 3.38Å; S840-L844 WeakPolarHBondContact O-CD1 3.48Å; S840-L844 VanDerWaalsContact O-CG 3.23Å; S840-L844 WeakPolarHBondContact O-CG 3.09Å; S840-L844 PolarHBondContact O-N 3.13Å
841	L	92.7	Very high	87.6	Confident	50 Å²	50	32.3 Å²	32.3	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-67.6	-35.1	171.6	-69.9	172.6	0	0	0	113.1	K837 A838 R839 H845 L908	K837-L841 HydrophobicContact CG-CD1 4.11Å; K837-L841 HydrophobicContact CG-CG 4.44Å; K837-L841 WeakPolarHBondContact O-CG 3.42Å; K837-L841 PolarHBondContact O-N 2.7Å; A838-L841 PolarHBondContact O-N 3.16Å; R839-L841 VanDerWaalsContact C-N 3.34Å; R839-L841 PolarHBondContact O-N 3.38Å; L841-H845 PolarHBondContact O-N 2.92Å; L841-L908 HydrophobicContact CB-CD1 3.76Å; L841-L908 HydrophobicContact CB-CD2 4.48Å; L841-L908 HydrophobicContact CB-CG 3.98Å; L841-L908 HydrophobicContact CD1-CG 4.38Å
842	M	93.8	Very high	89.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-46.6	175.6	-178.5	-159.6	80.4	0	0	110.8	A610 A838 R839 H845 N846 L908 I924 L926	A610-M842 HydrophobicContact CB-CE 3.91Å; A610-M842 HydrophobicContact CB-SD 3.91Å; A838-M842 WeakPolarHBondContact O-CB 3.04Å; A838-M842 PolarHBondContact O-N 3.4Å; R839-M842 HydrophobicContact CG-CE 3.94Å; R839-M842 CarbonylContact O-C 3.59Å; R839-M842 WeakPolarHBondContact O-CA 3.26Å; R839-M842 VanDerWaalsContact O-CB 3.32Å; R839-M842 WeakPolarHBondContact O-CB 3.44Å; R839-M842 PolarHBondContact O-N 3.18Å; M842-H845 PolarHBondContact O-N 3.27Å; M842-N846 VanDerWaalsContact O-CG 3.29Å; M842-N846 PolarHBondContact O-N 3.16Å; M842-N846 PolarHBondContact O-ND2 3.05Å; M842-N846 VanDerWaalsContact O-ND2 3.16Å; M842-L908 HydrophobicContact CB-CD1 4.48Å; M842-I924 HydrophobicContact CG-CG1 4.1Å; M842-I924 WeakPolarHBondContact CG-O 3.38Å; M842-L926 HydrophobicContact CB-CD1 4.06Å; M842-L926 HydrophobicContact CB-CG 4.48Å; M842-L926 HydrophobicContact CG-CD1 4.41Å; M842-L926 HydrophobicContact CG-CG 4.46Å; M842-L926 HydrophobicContact SD-CB 4.21Å; M842-L926 HydrophobicContact SD-CD1 3.73Å; M842-L926 HydrophobicContact SD-CG 3.79Å
843	N	93.6	Very high	91.5	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-46.6	176.9	-71.4	4.6	0	0	0	111.3	H618 E680 R839 H845 N846 N847	H618-N843 PolarHBondContact CE1-ND2 3.17Å; H618-N843 VanDerWaalsContact NE2-CG 3.26Å; H618-N843 PolarHBondContact NE2-ND2 3.25Å; H618-N843 PolarHBondContact NE2-OD1 3.05Å; E680-N843 HydrophobicContact CG-CB 3.93Å; E680-N843 WeakPolarHBondContact OE1-CB 3.41Å; E680-N843 PolarHBondContact OE1-ND2 2.99Å; R839-N843 WeakPolarHBondContact O-CB 3.34Å; R839-N843 VanDerWaalsContact O-CG 3.27Å; R839-N843 PolarHBondContact O-N 3.08Å; R839-N843 PolarHBondContact O-OD1 3.34Å; N843-H845 VanDerWaalsContact C-N 3.32Å; N843-H845 PolarHBondContact O-N 2.95Å; N843-N846 PolarHBondContact O-N 3.1Å; N843-N847 WeakPolarHBondContact O-CB 3.37Å; N843-N847 PolarHBondContact O-N 3.35Å; N843-N847 PolarHBondContact O-OD1 3.18Å; N843-N847 VanDerWaalsContact O-OD1 3.08Å
844	L	94.1	Very high	92.7	Very high	38 Å²	38	22.8 Å²	22.8	20%	0.199	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-40.6	175.2	-74.3	168.1	0	0	0	113	D677 E680 S840 E848	D677-L844 HydrophobicContact CB-CD2 3.51Å; E680-L844 HydrophobicContact CB-CD1 4.19Å; E680-L844 HydrophobicContact CB-CD2 3.76Å; E680-L844 HydrophobicContact CB-CG 3.72Å; E680-L844 HydrophobicContact CG-CD2 4.5Å; E680-L844 HydrophobicContact CG-CG 4.37Å; S840-L844 WeakPolarHBondContact O-CB 3.38Å; S840-L844 WeakPolarHBondContact O-CD1 3.48Å; S840-L844 VanDerWaalsContact O-CG 3.23Å; S840-L844 WeakPolarHBondContact O-CG 3.09Å; S840-L844 PolarHBondContact O-N 3.13Å; L844-E848 WeakPolarHBondContact O-CB 3.27Å; L844-E848 PolarHBondContact O-N 3.32Å
845	H	96	Very high	93.6	Very high	47 Å²	47	23.6 Å²	23.6	22%	0.218	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-45.5	176	-179.2	105.9	0	0	0	111.7	L841 M842 N843 E848 A849 T919 D922 I924	L841-H845 PolarHBondContact O-N 2.92Å; M842-H845 PolarHBondContact O-N 3.27Å; N843-H845 VanDerWaalsContact C-N 3.32Å; N843-H845 PolarHBondContact O-N 2.95Å; H845-E848 WeakPolarHBondContact O-CB 3.3Å; H845-E848 PolarHBondContact O-N 2.97Å; H845-A849 PolarHBondContact O-N 3.17Å; H845-T919 PolarHBondContact CE1-O 3.04Å; H845-T919 VanDerWaalsContact CE1-O 3.3Å; H845-T919 PolarHBondContact NE2-O 3.06Å; H845-D922 PolarHBondContact CD2-O 3.13Å; H845-D922 PolarHBondContact NE2-O 3.29Å; H845-I924 HydrophobicContact CB-CD1 3.66Å; H845-I924 HydrophobicContact CB-CG1 4.1Å; H845-I924 VanDerWaalsContact CG-CD1 3.47Å
846	N	97.1	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.8	-39.9	-178.5	-66.2	-31.1	0	0	0	112	A615 H618 A619 M842 N843 E848 A849 G850 L923 I924	A615-N846 WeakPolarHBondContact CA-ND2 3.33Å; A615-N846 WeakPolarHBondContact CB-ND2 3.44Å; H618-N846 HydrophobicContact CB-CB 3.98Å; A619-N846 VanDerWaalsContact CA-O 3.26Å; A619-N846 WeakPolarHBondContact CA-O 3.04Å; A619-N846 VanDerWaalsContact CB-O 3.27Å; A619-N846 WeakPolarHBondContact CB-O 3.45Å; M842-N846 VanDerWaalsContact O-CG 3.29Å; M842-N846 PolarHBondContact O-N 3.16Å; M842-N846 PolarHBondContact O-ND2 3.05Å; M842-N846 VanDerWaalsContact O-ND2 3.16Å; N843-N846 PolarHBondContact O-N 3.1Å; N846-E848 PolarHBondContact O-N 3.01Å; N846-A849 PolarHBondContact O-N 3.41Å; N846-G850 PolarHBondContact O-N 2.04Å; N846-L923 HydrophobicContact CB-CD2 4.38Å; N846-I924 PolarHBondContact ND2-O 2.97Å; N846-I924 PolarHBondContact OD1-N 3.37Å; N846-I924 PolarHBondContact OD1-O 2.74Å
847	N	96.6	Very high	94.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-54.6	-43.5	170.3	-67.2	0.1	0	0	0	111	H618 A622 D677 N843 G850 R851	H618-N847 PolarHBondContact ND1-OD1 2.83Å; H618-N847 PolarHBondContact O-OD1 2.03Å; A622-N847 HydrophobicContact CB-CB 3.97Å; A622-N847 WeakPolarHBondContact CB-O 3.4Å; D677-N847 WeakPolarHBondContact OD1-CB 3.29Å; D677-N847 PolarHBondContact OD1-ND2 2.9Å; N843-N847 WeakPolarHBondContact O-CB 3.37Å; N843-N847 PolarHBondContact O-N 3.35Å; N843-N847 PolarHBondContact O-OD1 3.18Å; N843-N847 VanDerWaalsContact O-OD1 3.08Å; N847-G850 PolarHBondContact O-N 3.47Å; N847-R851 WeakPolarHBondContact O-CG 3.38Å; N847-R851 PolarHBondContact O-N 3.13Å
848	E	97.5	Very high	95	Very high	31 Å²	31	26.5 Å²	26.5	15%	0.145	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-41.7	-179.9	179.1	58.3	-163.5	0	0	112.7	Y669 L844 H845 N846 G850 R851 R852	Y669-E848 VanDerWaalsContact OH-CD 3.27Å; Y669-E848 PolarHBondContact OH-OE1 3.46Å; Y669-E848 PolarHBondContact OH-OE2 3.34Å; L844-E848 WeakPolarHBondContact O-CB 3.27Å; L844-E848 PolarHBondContact O-N 3.32Å; H845-E848 WeakPolarHBondContact O-CB 3.3Å; H845-E848 PolarHBondContact O-N 2.97Å; N846-E848 PolarHBondContact O-N 3.01Å; E848-G850 VanDerWaalsContact C-N 3.26Å; E848-G850 PolarHBondContact O-N 2.85Å; E848-R851 PolarHBondContact O-N 2.81Å; E848-R851 IonicContact OE2-CZ 2.7Å; E848-R851 IonicContact OE2-NE 3.62Å; E848-R851 PolarHBondContact OE2-NE 3.1Å; E848-R851 IonicContact OE2-NH2 3.37Å; E848-R851 PolarHBondContact OE2-NH2 2.89Å; E848-R852 WeakPolarHBondContact O-CB 3.41Å; E848-R852 VanDerWaalsContact O-CG 3.31Å; E848-R852 WeakPolarHBondContact O-CG 3.48Å; E848-R852 PolarHBondContact O-N 2.83Å; E848-R852 IonicContact OE1-CZ 2.85Å; E848-R852 IonicContact OE1-NE 2.8Å; E848-R852 PolarHBondContact OE1-NE 3.1Å; E848-R852 IonicContact OE1-NH2 2.66Å; E848-R852 PolarHBondContact OE1-NH2 3.18Å
849	A	98.2	Very high	95	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-39	171.7	0	0	0	0	0	111.8	H845 N846 R852 A853 A920 L923	H845-A849 PolarHBondContact O-N 3.17Å; N846-A849 PolarHBondContact O-N 3.41Å; A849-R852 PolarHBondContact O-N 3.02Å; A849-A853 PolarHBondContact O-N 3.23Å; A849-A920 VanDerWaalsContact CA-O 3.26Å; A849-A920 WeakPolarHBondContact CA-O 3.25Å; A849-A920 WeakPolarHBondContact CB-O 3.48Å; A849-L923 HydrophobicContact CB-CD2 3.88Å
850	G	97.9	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.7	-56.3	170.6	0	0	0	0	0	113.3	A619 A623 N846 N847 E848 R852 A853 V854	A619-G850 WeakPolarHBondContact O-CA 3.42Å; A623-G850 WeakPolarHBondContact CB-O 3.43Å; N846-G850 PolarHBondContact O-N 2.04Å; N847-G850 PolarHBondContact O-N 3.47Å; E848-G850 VanDerWaalsContact C-N 3.26Å; E848-G850 PolarHBondContact O-N 2.85Å; G850-R852 VanDerWaalsContact C-N 3.26Å; G850-R852 PolarHBondContact O-N 2.85Å; G850-A853 WeakPolarHBondContact O-CB 3.49Å; G850-A853 PolarHBondContact O-N 3.31Å; G850-A853 VanDerWaalsContact O-N 3.1Å; G850-V854 PolarHBondContact O-N 3.07Å
851	R	98.2	Very high	95	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-38.3	177.3	-70.1	-174.2	-69.7	-105.3	11.3	112.8	A622 Y669 T673 D677 N847 E848 V854 I855	A622-R851 HydrophobicContact CB-CG 4.21Å; Y669-R851 HydrophobicContact CD2-CB 3.64Å; Y669-R851 HydrophobicContact CD2-CG 4.32Å; Y669-R851 HydrophobicContact CE2-CB 3.61Å; Y669-R851 HydrophobicContact CE2-CG 4.48Å; T673-R851 VanDerWaalsContact OG1-CD 3.31Å; T673-R851 WeakPolarHBondContact OG1-CD 3.48Å; T673-R851 PolarHBondContact OG1-NE 3.4Å; D677-R851 VanDerWaalsContact CG-NH1 3.3Å; D677-R851 IonicContact OD1-CZ 2.76Å; D677-R851 IonicContact OD1-NH1 3.17Å; D677-R851 PolarHBondContact OD1-NH1 3.19Å; D677-R851 IonicContact OD1-NH2 3.38Å; D677-R851 IonicContact OD2-CZ 2.72Å; D677-R851 IonicContact OD2-NH1 3.33Å; D677-R851 PolarHBondContact OD2-NH1 3.03Å; D677-R851 IonicContact OD2-NH2 2.68Å; D677-R851 PolarHBondContact OD2-NH2 3.02Å; N847-R851 WeakPolarHBondContact O-CG 3.38Å; N847-R851 PolarHBondContact O-N 3.13Å; E848-R851 PolarHBondContact O-N 2.81Å; E848-R851 IonicContact OE2-CZ 2.7Å; E848-R851 IonicContact OE2-NE 3.62Å; E848-R851 PolarHBondContact OE2-NE 3.1Å; E848-R851 IonicContact OE2-NH2 3.37Å; E848-R851 PolarHBondContact OE2-NH2 2.89Å; R851-V854 PolarHBondContact O-N 3.49Å; R851-I855 PolarHBondContact O-N 3.33Å
852	R	97.8	Very high	94.9	Very high	52 Å²	52	26.1 Å²	26.1	20%	0.196	12%	0.121	C	C	.	.	H	α-helix	trans	-70	-31.1	176.7	-71.3	169.5	177.4	-88	-17.3	113.5	Y299 E848 A849 G850 V854 I855 K856 A920	Y299-R852 PolarHBondContact OH-NH2 3.48Å; E848-R852 WeakPolarHBondContact O-CB 3.41Å; E848-R852 VanDerWaalsContact O-CG 3.31Å; E848-R852 WeakPolarHBondContact O-CG 3.48Å; E848-R852 PolarHBondContact O-N 2.83Å; E848-R852 IonicContact OE1-CZ 2.85Å; E848-R852 IonicContact OE1-NE 2.8Å; E848-R852 PolarHBondContact OE1-NE 3.1Å; E848-R852 IonicContact OE1-NH2 2.66Å; E848-R852 PolarHBondContact OE1-NH2 3.18Å; A849-R852 PolarHBondContact O-N 3.02Å; G850-R852 VanDerWaalsContact C-N 3.26Å; G850-R852 PolarHBondContact O-N 2.85Å; R852-V854 VanDerWaalsContact C-N 3.27Å; R852-V854 PolarHBondContact O-N 3.04Å; R852-I855 PolarHBondContact O-N 3.34Å; R852-K856 VanDerWaalsContact O-CB 3.3Å; R852-K856 WeakPolarHBondContact O-CB 3.3Å; R852-K856 PolarHBondContact O-N 2.82Å; R852-A920 VanDerWaalsContact CD-O 3.24Å; R852-A920 WeakPolarHBondContact CD-O 3.33Å
853	A	98	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-41	173.5	0	0	0	0	0	111.5	A849 G850 K856 K857 I886 Y889 L890	A849-A853 PolarHBondContact O-N 3.23Å; G850-A853 WeakPolarHBondContact O-CB 3.49Å; G850-A853 PolarHBondContact O-N 3.31Å; G850-A853 VanDerWaalsContact O-N 3.1Å; A853-K856 PolarHBondContact O-N 3.48Å; A853-K857 WeakPolarHBondContact O-CB 3.27Å; A853-K857 PolarHBondContact O-N 3.41Å; A853-I886 HydrophobicContact CB-CG2 4.35Å; A853-Y889 HydrophobicContact CB-CD1 3.7Å; A853-Y889 HydrophobicContact CB-CE1 3.82Å; A853-L890 HydrophobicContact CB-CD1 4.47Å; A853-L890 HydrophobicContact CB-CD2 3.76Å; A853-L890 HydrophobicContact CB-CG 4.01Å
854	V	97.2	Very high	94.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-47	176.5	-168.5	0	0	0	0	111.5	A623 T626 L665 G850 R851 R852 K857 A858 L880 I886	A623-V854 VanDerWaalsContact CA-CG2 3.45Å; A623-V854 HydrophobicContact CB-CG2 3.65Å; A623-V854 VanDerWaalsContact O-CG2 3.25Å; A623-V854 WeakPolarHBondContact O-CG2 3.33Å; T626-V854 HydrophobicContact CG2-CG1 4.41Å; T626-V854 HydrophobicContact CG2-CG2 4.47Å; L665-V854 HydrophobicContact CD2-CB 4.42Å; L665-V854 HydrophobicContact CD2-CG1 3.77Å; G850-V854 PolarHBondContact O-N 3.07Å; R851-V854 PolarHBondContact O-N 3.49Å; R852-V854 VanDerWaalsContact C-N 3.27Å; R852-V854 PolarHBondContact O-N 3.04Å; V854-K857 PolarHBondContact O-N 3.2Å; V854-A858 PolarHBondContact O-N 3.08Å; V854-L880 HydrophobicContact CG1-CD1 3.98Å; V854-L880 HydrophobicContact CG1-CD2 3.66Å; V854-L880 HydrophobicContact CG1-CG 4.44Å; V854-I886 HydrophobicContact CG1-CD1 4.4Å; V854-I886 HydrophobicContact CG2-CD1 4.5Å
855	I	94.5	Very high	94.5	Very high	58 Å²	58	32.2 Å²	32.2	30%	0.297	15%	0.148	S	C	.	.	H	α-helix	trans	-65.1	-44.1	178	-62.1	174.2	0	0	0	110.8	L665 Y669 R851 R852 K857 A858	L665-I855 HydrophobicContact CD1-CG1 4.34Å; L665-I855 HydrophobicContact CD2-CG1 4.02Å; Y669-I855 HydrophobicContact CD2-CD1 3.66Å; Y669-I855 HydrophobicContact CE2-CD1 3.97Å; Y669-I855 HydrophobicContact CG-CD1 4.42Å; R851-I855 PolarHBondContact O-N 3.33Å; R852-I855 PolarHBondContact O-N 3.34Å; I855-K857 VanDerWaalsContact C-N 3.3Å; I855-K857 PolarHBondContact O-N 2.76Å; I855-A858 WeakPolarHBondContact O-CB 3.44Å; I855-A858 PolarHBondContact O-N 3.09Å
856	K	94.8	Very high	94.2	Very high	123 Å²	123	30.4 Å²	30.4	54%	0.535	14%	0.142	S	C	.	.	H	α-helix	trans	-68.3	-26	-178.8	179.9	175	170	-175.9	0	113.5	R852 A853 Y889	R852-K856 VanDerWaalsContact O-CB 3.3Å; R852-K856 WeakPolarHBondContact O-CB 3.3Å; R852-K856 PolarHBondContact O-N 2.82Å; A853-K856 PolarHBondContact O-N 3.48Å; K856-Y889 HydrophobicContact CD-CE1 4.44Å; K856-Y889 HydrophobicContact CD-CE2 4.32Å; K856-Y889 WeakPolarHBondContact CD-OH 3.4Å; K856-Y889 PolarHBondContact NZ-OH 3.48Å
857	K	94.7	Very high	93.9	Very high	71 Å²	71	36.2 Å²	36.2	31%	0.309	18%	0.177	S	C	.	.	H	α-helix	trans	-93	-10.6	174.8	-74.8	-70	-167.8	165.5	0	113.6	A853 V854 I855 R859 S881 E885 I886	A853-K857 WeakPolarHBondContact O-CB 3.27Å; A853-K857 PolarHBondContact O-N 3.41Å; V854-K857 PolarHBondContact O-N 3.2Å; I855-K857 VanDerWaalsContact C-N 3.3Å; I855-K857 PolarHBondContact O-N 2.76Å; K857-R859 PolarHBondContact O-N 3.23Å; K857-S881 PolarHBondContact O-OG 2.99Å; K857-E885 VanDerWaalsContact CE-O 3.29Å; K857-E885 WeakPolarHBondContact CE-O 3.46Å; K857-I886 HydrophobicContact CB-CG1 4.09Å; K857-I886 HydrophobicContact CG-CG1 4.33Å
858	A	92	Very high	93.5	Very high	22 Å²	22	41.9 Å²	41.9	18%	0.182	22%	0.217	C	C	.	.			trans	-62.1	126.5	173.8	0	0	0	0	0	110.4	L665 V854 I855 Q878 Q879 L880	L665-A858 HydrophobicContact CD1-CB 3.83Å; V854-A858 PolarHBondContact O-N 3.08Å; I855-A858 WeakPolarHBondContact O-CB 3.44Å; I855-A858 PolarHBondContact O-N 3.09Å; A858-Q878 HydrophobicContact CB-CG 4.2Å; A858-Q879 CarbonylContact C-O 3.58Å; A858-Q879 WeakPolarHBondContact CA-O 3.36Å; A858-L880 HydrophobicContact CB-CD2 3.82Å
859	R	90.1	Very high	92.9	Very high	59 Å²	59	41.4 Å²	41.4	22%	0.223	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	167.9	-177.3	67.7	-174.5	-177.7	-139.8	6.4	111.4	K857 Q879 E885	K857-R859 PolarHBondContact O-N 3.23Å; R859-Q879 PolarHBondContact N-O 3.3Å; R859-Q879 PolarHBondContact O-N 3.49Å; R859-E885 IonicContact NH1-OE1 2.71Å; R859-E885 IonicContact NH1-OE2 3.46Å
860	I	90.5	Very high	92.4	Very high	37 Å²	37	43.5 Å²	43.5	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.2	166.3	-52.6	-52.2	0	0	0	107.3	P649 L652 W658 C876 W877 Q878	P649-I860 HydrophobicContact CG-CD1 3.71Å; P649-I860 HydrophobicContact CG-CG1 4.14Å; L652-I860 HydrophobicContact CD1-CG2 4.17Å; W658-I860 HydrophobicContact CH2-CD1 3.87Å; W658-I860 HydrophobicContact CZ3-CD1 3.97Å; W658-I860 HydrophobicContact CZ3-CG2 4.15Å; I860-C876 HydrophobicContact CG2-CB 3.89Å; I860-W877 WeakPolarHBondContact CA-O 3.49Å; I860-Q878 HydrophobicContact CD1-CB 4.45Å
861	T	89.8	Confident	92	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143	172.5	-56.6	0	0	0	0	108	L136 C876 W877 Q879	L136-T861 HydrophobicContact CD1-CG2 4.03Å; L136-T861 HydrophobicContact CG-CG2 4.15Å; T861-C876 VanDerWaalsContact O-CA 3.29Å; T861-C876 WeakPolarHBondContact O-CA 3.25Å; T861-W877 HydrophobicContact CG2-CZ2 4.12Å; T861-W877 PolarHBondContact N-O 3.06Å; T861-W877 PolarHBondContact O-N 3.09Å; T861-Q879 VanDerWaalsContact CB-OE1 3.24Å; T861-Q879 PolarHBondContact OG1-OE1 3.43Å
862	C	91.2	Very high	91.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.2	176.9	-57.3	0	0	0	0	111	I133 I134 L136 I874 T875 C876	I133-C862 HydrophobicContact CG2-CB 4.18Å; I133-C862 WeakPolarHBondContact CG2-SG 3.34Å; I134-C862 PolarHBondContact O-N 3.11Å; I134-C862 VanDerWaalsContact O-N 3.08Å; L136-C862 PolarHBondContact N-O 2.9Å; C862-I874 HydrophobicContact CB-CD1 3.71Å; C862-I874 HydrophobicContact CB-CG1 3.73Å; C862-T875 CarbonylContact C-O 3.51Å; C862-T875 VanDerWaalsContact CA-O 3.27Å; C862-T875 WeakPolarHBondContact CA-O 3.4Å; C862-C876 HydrophobicContact CB-CB 4.06Å; C862-C876 WeakPolarHBondContact CB-SG 3.42Å; C862-C876 WeakPolarHBondContact SG-CB 3.07Å; C862-C876 CovalentContact SG-SG 2.03Å; C862-C876 PolarHBondContact SG-SG 3.16Å
863	K	89.6	Confident	91.2	Very high	75 Å²	75	51.8 Å²	51.8	33%	0.326	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.6	165.3	173.8	158.1	-177.5	157.5	0	109.8	H865 I874 T875 W877	K863-H865 PolarHBondContact O-CD2 3.47Å; K863-I874 WeakPolarHBondContact O-CA 3.16Å; K863-T875 PolarHBondContact N-O 2.04Å; K863-T875 PolarHBondContact O-N 3.09Å; K863-W877 HydrophobicContact CB-CH2 3.76Å; K863-W877 HydrophobicContact CB-CZ3 4.14Å
864	C	92.5	Very high	90.9	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	143.5	168.1	-59.8	0	0	0	0	110.2	L135 G869 C871 L873	L135-C864 WeakPolarHBondContact CD2-SG 3.49Å; C864-G869 VanDerWaalsContact CB-O 3.3Å; C864-G869 WeakPolarHBondContact CB-O 3.3Å; C864-C871 HydrophobicContact CB-CB 3.93Å; C864-C871 WeakPolarHBondContact CB-SG 3.32Å; C864-C871 WeakPolarHBondContact SG-CA 3.23Å; C864-C871 WeakPolarHBondContact SG-CB 3.26Å; C864-C871 CovalentContact SG-SG 2.04Å; C864-C871 PolarHBondContact SG-SG 3.36Å; C864-L873 WeakPolarHBondContact CA-O 3.43Å
865	H	91	Very high	90.6	Very high	88 Å²	88	53.5 Å²	53.5	41%	0.407	30%	0.302	S	S	.	.			trans	-153.4	21.9	-174.8	53.8	89.6	0	0	0	112	K863 L873 T875	K863-H865 PolarHBondContact O-CD2 3.47Å; H865-L873 PolarHBondContact N-O 2.87Å; H865-T875 PolarHBondContact NE2-N 3.04Å; H865-T875 PolarHBondContact NE2-OG1 3.28Å
866	G	89.3	Confident	90.6	Very high	9 Å²	9	50.7 Å²	50.7	9%	0.093	29%	0.288	C	S	.	.	S	Bend	trans	-70.2	-179	163.5	0	0	0	0	0	111.5	S868 G869 S870 L873	G866-S868 PolarHBondContact O-N 2.65Å; G866-G869 PolarHBondContact O-N 3.41Å; G866-S870 WeakPolarHBondContact CA-O 3.21Å; G866-S870 PolarHBondContact N-O 3.12Å; G866-L873 PolarHBondContact N-O 3.02Å
867	V	90.6	Very high	90.5	Very high	122 Å²	122	47.1 Å²	47.1	74%	0.739	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-53.5	127.8	-178.3	-175.9	0	0	0	0	110.3	G869 S870	V867-G869 PolarHBondContact O-N 2.89Å; V867-S870 PolarHBondContact N-OG 2.84Å; V867-S870 WeakPolarHBondContact O-CB 3.41Å; V867-S870 PolarHBondContact O-N 3.48Å; V867-S870 VanDerWaalsContact O-N 3.11Å; V867-S870 PolarHBondContact O-OG 3.38Å
868	S	88.1	Confident	90.3	Very high	120 Å²	120	45.9 Å²	45.9	84%	0.839	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	50.8	49.5	-178.4	-57.8	0	0	0	0	113.8	G866 S870	G866-S868 PolarHBondContact O-N 2.65Å; S868-S870 PolarHBondContact O-N 3.47Å; S868-S870 VanDerWaalsContact O-N 3.15Å
869	G	85.4	Confident	90.3	Very high	20 Å²	20	45.5 Å²	45.5	21%	0.206	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	71.4	2.2	179.4	0	0	0	0	0	115.2	E138 C864 G866 V867	E138-G869 VanDerWaalsContact OE2-CA 3.23Å; E138-G869 WeakPolarHBondContact OE2-CA 3.2Å; E138-G869 PolarHBondContact OE2-N 2.86Å; C864-G869 VanDerWaalsContact CB-O 3.3Å; C864-G869 WeakPolarHBondContact CB-O 3.3Å; G866-G869 PolarHBondContact O-N 3.41Å; V867-G869 PolarHBondContact O-N 2.89Å
870	S	87.6	Confident	90.4	Very high	46 Å²	46	43 Å²	43	32%	0.322	25%	0.252	S	S	.	.			trans	-63.6	141.1	-174.7	63.2	0	0	0	0	112.8	G866 V867 S868 S872	G866-S870 WeakPolarHBondContact CA-O 3.21Å; G866-S870 PolarHBondContact N-O 3.12Å; V867-S870 PolarHBondContact N-OG 2.84Å; V867-S870 WeakPolarHBondContact O-CB 3.41Å; V867-S870 PolarHBondContact O-N 3.48Å; V867-S870 VanDerWaalsContact O-N 3.11Å; V867-S870 PolarHBondContact O-OG 3.38Å; S868-S870 PolarHBondContact O-N 3.47Å; S868-S870 VanDerWaalsContact O-N 3.15Å; S870-S872 PolarHBondContact O-N 3.34Å; S870-S872 PolarHBondContact OG-OG 2.98Å
871	C	89.3	Confident	90.5	Very high	40 Å²	40	41.5 Å²	41.5	27%	0.27	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	22.6	176.9	-61	0	0	0	0	114.4	C864 L873	C864-C871 HydrophobicContact CB-CB 3.93Å; C864-C871 WeakPolarHBondContact CB-SG 3.32Å; C864-C871 WeakPolarHBondContact SG-CA 3.23Å; C864-C871 WeakPolarHBondContact SG-CB 3.26Å; C864-C871 CovalentContact SG-SG 2.04Å; C864-C871 PolarHBondContact SG-SG 3.36Å; C871-L873 VanDerWaalsContact C-N 3.25Å
872	S	88.2	Confident	90.6	Very high	87 Å²	87	43.3 Å²	43.3	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.5	167.3	55.5	0	0	0	0	111.8	S870	S870-S872 PolarHBondContact O-N 3.34Å; S870-S872 PolarHBondContact OG-OG 2.98Å
873	L	90	Very high	90.7	Very high	102 Å²	102	43.6 Å²	43.6	53%	0.534	26%	0.259	S	S	.	.	S	Bend	trans	-123.2	127.4	164.3	-62.1	175.2	0	0	0	108.9	C864 H865 G866 C871	C864-L873 WeakPolarHBondContact CA-O 3.43Å; H865-L873 PolarHBondContact N-O 2.87Å; G866-L873 PolarHBondContact N-O 3.02Å; C871-L873 VanDerWaalsContact C-N 3.25Å
874	I	91.4	Very high	90.9	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.5	-175.4	-176.6	172.4	0	0	0	109.9	M128 L135 W656 K657 C862 K863	M128-I874 HydrophobicContact CE-CD1 4.29Å; L135-I874 HydrophobicContact CD2-CD1 4.22Å; W656-I874 HydrophobicContact CB-CG2 3.77Å; W656-I874 VanDerWaalsContact CD1-CG2 3.44Å; W656-I874 HydrophobicContact CD2-CD1 4.06Å; W656-I874 HydrophobicContact CD2-CG2 3.8Å; W656-I874 HydrophobicContact CE3-CD1 3.91Å; W656-I874 HydrophobicContact CG-CG2 3.37Å; W656-I874 HydrophobicContact CH2-CD1 4.41Å; W656-I874 HydrophobicContact CZ3-CD1 4.08Å; K657-I874 PolarHBondContact N-O 2.88Å; C862-I874 HydrophobicContact CB-CD1 3.71Å; C862-I874 HydrophobicContact CB-CG1 3.73Å; K863-I874 WeakPolarHBondContact O-CA 3.16Å
875	T	92.1	Very high	91	Very high	29 Å²	29	44.9 Å²	44.9	18%	0.178	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.9	178.7	-64.8	0	0	0	0	109.9	K657 G659 C862 K863 H865 W877	K657-T875 CarbonylContact O-C 3.33Å; K657-T875 VanDerWaalsContact O-CA 3.3Å; K657-T875 WeakPolarHBondContact O-CA 3.08Å; G659-T875 WeakPolarHBondContact O-CG2 3.3Å; C862-T875 CarbonylContact C-O 3.51Å; C862-T875 VanDerWaalsContact CA-O 3.27Å; C862-T875 WeakPolarHBondContact CA-O 3.4Å; K863-T875 PolarHBondContact N-O 2.04Å; K863-T875 PolarHBondContact O-N 3.09Å; H865-T875 PolarHBondContact NE2-N 3.04Å; H865-T875 PolarHBondContact NE2-OG1 3.28Å; T875-W877 WeakPolarHBondContact O-CZ3 3.43Å
876	C	93.5	Very high	91.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.3	-171.6	-53.4	0	0	0	0	113	L652 K657 W658 G659 I860 T861 C862	L652-C876 HydrophobicContact CD1-CB 4.32Å; L652-C876 HydrophobicContact CD2-CB 4.05Å; K657-C876 PolarHBondContact O-N 2.83Å; W658-C876 HydrophobicContact CE3-CB 4.37Å; G659-C876 PolarHBondContact N-O 3.18Å; G659-C876 CarbonylContact O-C 3.36Å; I860-C876 HydrophobicContact CG2-CB 3.89Å; T861-C876 VanDerWaalsContact O-CA 3.29Å; T861-C876 WeakPolarHBondContact O-CA 3.25Å; C862-C876 HydrophobicContact CB-CB 4.06Å; C862-C876 WeakPolarHBondContact CB-SG 3.42Å; C862-C876 WeakPolarHBondContact SG-CB 3.07Å; C862-C876 CovalentContact SG-SG 2.03Å; C862-C876 PolarHBondContact SG-SG 3.16Å
877	W	92.8	Very high	91.6	Very high	47 Å²	47	40.3 Å²	40.3	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	166.4	177.3	54.7	94	0	0	0	111.5	G659 I860 T861 K863 T875	G659-W877 WeakPolarHBondContact O-CB 3.47Å; I860-W877 WeakPolarHBondContact CA-O 3.49Å; T861-W877 HydrophobicContact CG2-CZ2 4.12Å; T861-W877 PolarHBondContact N-O 3.06Å; T861-W877 PolarHBondContact O-N 3.09Å; K863-W877 HydrophobicContact CB-CH2 3.76Å; K863-W877 HydrophobicContact CB-CZ3 4.14Å; T875-W877 WeakPolarHBondContact O-CZ3 3.43Å
878	Q	90.9	Very high	91.9	Very high	46 Å²	46	38.1 Å²	38.1	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.6	168.9	-172	173.6	27	0	0	110.1	W658 G662 D663 A858 I860	W658-Q878 HydrophobicContact CH2-CB 4.03Å; W658-Q878 VanDerWaalsContact CH2-N 3.35Å; W658-Q878 HydrophobicContact CZ2-CB 4.47Å; G662-Q878 CarbonylContact C-O 3.6Å; G662-Q878 WeakPolarHBondContact CA-O 3.5Å; D663-Q878 PolarHBondContact N-O 3.39Å; A858-Q878 HydrophobicContact CB-CG 4.2Å; I860-Q878 HydrophobicContact CD1-CB 4.45Å
879	Q	91.6	Very high	92.4	Very high	14 Å²	14	33.1 Å²	33.1	7%	0.065	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.1	176.9	-169.5	179.2	5.8	0	0	110.5	D663 A858 R859 T861	D663-Q879 WeakPolarHBondContact OD2-CA 3.34Å; A858-Q879 CarbonylContact C-O 3.58Å; A858-Q879 WeakPolarHBondContact CA-O 3.36Å; R859-Q879 PolarHBondContact N-O 3.3Å; R859-Q879 PolarHBondContact O-N 3.49Å; T861-Q879 VanDerWaalsContact CB-OE1 3.24Å; T861-Q879 PolarHBondContact OG1-OE1 3.43Å
880	L	92.8	Very high	93	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-77.9	135	171.6	-64.1	-176.1	0	0	0	112.1	S627 A630 D663 L665 V854 A858	S627-L880 WeakPolarHBondContact OG-CD1 3.25Å; A630-L880 HydrophobicContact CB-CD1 3.76Å; D663-L880 HydrophobicContact CB-CD1 4.13Å; D663-L880 HydrophobicContact CB-CG 3.73Å; D663-L880 PolarHBondContact OD2-N 2.94Å; L665-L880 HydrophobicContact CD1-CD2 3.83Å; L665-L880 HydrophobicContact CD2-CD2 3.94Å; L665-L880 HydrophobicContact CG-CD2 3.96Å; V854-L880 HydrophobicContact CG1-CD1 3.98Å; V854-L880 HydrophobicContact CG1-CD2 3.66Å; V854-L880 HydrophobicContact CG1-CG 4.44Å; A858-L880 HydrophobicContact CB-CD2 3.82Å
881	S	93.2	Very high	93.4	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.035	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-50.2	163	162.8	-82.9	0	0	0	0	113	R631 K857 E885	R631-S881 PolarHBondContact NH2-O 2.74Å; K857-S881 PolarHBondContact O-OG 2.99Å; S881-E885 VanDerWaalsContact CB-OE2 3.22Å; S881-E885 WeakPolarHBondContact CB-OE2 3.42Å; S881-E885 PolarHBondContact OG-OE2 3.12Å
882	S	92.2	Very high	93.7	Very high	39 Å²	39	35.5 Å²	35.5	27%	0.273	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-56.7	156.3	168.2	66.5	0	0	0	0	111.8	R884 E885 I886	S882-R884 PolarHBondContact O-N 3.25Å; S882-E885 VanDerWaalsContact CB-OE1 3.31Å; S882-E885 WeakPolarHBondContact CB-OE1 3Å; S882-E885 PolarHBondContact N-OE1 3.08Å; S882-E885 PolarHBondContact O-N 3.12Å; S882-E885 VanDerWaalsContact OG-CG 3.31Å; S882-E885 WeakPolarHBondContact OG-CG 3.29Å; S882-E885 PolarHBondContact OG-N 3.26Å; S882-E885 PolarHBondContact OG-OE1 3.05Å; S882-I886 PolarHBondContact O-N 3.12Å
883	I	92.8	Very high	94.2	Very high	6 Å²	6	33 Å²	33	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-29.4	174.7	-59.3	-59.5	0	0	0	110.8	E582 T624 F628 I886 G887	E582-I883 HydrophobicContact CB-CG2 4.08Å; E582-I883 HydrophobicContact CG-CG2 4.08Å; T624-I883 HydrophobicContact CG2-CD1 4.45Å; T624-I883 HydrophobicContact CG2-CG2 3.89Å; F628-I883 HydrophobicContact CD2-CD1 4.3Å; F628-I883 HydrophobicContact CE2-CD1 3.95Å; F628-I883 HydrophobicContact CE2-CG1 4.01Å; I883-I886 PolarHBondContact O-N 3Å; I883-G887 PolarHBondContact O-N 3.2Å
884	R	93.8	Very high	94.5	Very high	52 Å²	52	29.2 Å²	29.2	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-55.4	174.4	-176.3	53.9	45.4	68.7	3.9	112.2	E582 F585 S882 I886 G887 D888	E582-R884 VanDerWaalsContact CD-NE 3.3Å; E582-R884 WeakPolarHBondContact OE1-CD 3.44Å; E582-R884 IonicContact OE1-CZ 2.71Å; E582-R884 IonicContact OE1-NE 3.2Å; E582-R884 PolarHBondContact OE1-NE 3.02Å; E582-R884 IonicContact OE2-CZ 3.45Å; E582-R884 VanDerWaalsContact OE2-CZ 3.28Å; E582-R884 IonicContact OE2-NE 3.85Å; E582-R884 PolarHBondContact OE2-NE 2.97Å; E582-R884 IonicContact OE2-NH2 3.59Å; E582-R884 PolarHBondContact OE2-NH2 3.17Å; F585-R884 VanDerWaalsContact CZ-NH1 3.29Å; S882-R884 PolarHBondContact O-N 3.25Å; R884-I886 PolarHBondContact O-N 2.81Å; R884-I886 VanDerWaalsContact O-N 3.14Å; R884-G887 CarbonylContact O-C 3.59Å; R884-G887 WeakPolarHBondContact O-CA 3.29Å; R884-G887 PolarHBondContact O-N 3.38Å; R884-D888 VanDerWaalsContact O-CG 3.23Å; R884-D888 PolarHBondContact O-N 2.6Å; R884-D888 VanDerWaalsContact O-OD2 3.12Å
885	E	94.9	Very high	94.6	Very high	57 Å²	57	33.6 Å²	33.6	27%	0.266	16%	0.159	S	C	.	.	H	α-helix	trans	-59	-29.2	178.9	-70.6	159.8	-100.7	0	0	113.6	K857 R859 S881 S882 Y889	K857-E885 VanDerWaalsContact CE-O 3.29Å; K857-E885 WeakPolarHBondContact CE-O 3.46Å; R859-E885 IonicContact NH1-OE1 2.71Å; R859-E885 IonicContact NH1-OE2 3.46Å; S881-E885 VanDerWaalsContact CB-OE2 3.22Å; S881-E885 WeakPolarHBondContact CB-OE2 3.42Å; S881-E885 PolarHBondContact OG-OE2 3.12Å; S882-E885 VanDerWaalsContact CB-OE1 3.31Å; S882-E885 WeakPolarHBondContact CB-OE1 3Å; S882-E885 PolarHBondContact N-OE1 3.08Å; S882-E885 PolarHBondContact O-N 3.12Å; S882-E885 VanDerWaalsContact OG-CG 3.31Å; S882-E885 WeakPolarHBondContact OG-CG 3.29Å; S882-E885 PolarHBondContact OG-N 3.26Å; S882-E885 PolarHBondContact OG-OE1 3.05Å; E885-Y889 WeakPolarHBondContact O-CB 3.4Å; E885-Y889 PolarHBondContact O-N 3.15Å
886	I	96.1	Very high	94.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-76.7	-42.3	174.9	-63.8	169.4	0	0	0	110.1	A623 A853 V854 K857 S882 I883 R884 Y889 L890	A623-I886 HydrophobicContact CB-CG2 3.84Å; A853-I886 HydrophobicContact CB-CG2 4.35Å; V854-I886 HydrophobicContact CG1-CD1 4.4Å; V854-I886 HydrophobicContact CG2-CD1 4.5Å; K857-I886 HydrophobicContact CB-CG1 4.09Å; K857-I886 HydrophobicContact CG-CG1 4.33Å; S882-I886 PolarHBondContact O-N 3.12Å; I883-I886 PolarHBondContact O-N 3Å; R884-I886 PolarHBondContact O-N 2.81Å; R884-I886 VanDerWaalsContact O-N 3.14Å; I886-Y889 PolarHBondContact O-N 2.96Å; I886-L890 HydrophobicContact CG2-CD1 4.21Å; I886-L890 WeakPolarHBondContact O-CB 3.44Å; I886-L890 WeakPolarHBondContact O-CG 3Å; I886-L890 PolarHBondContact O-N 3.28Å
887	G	96.3	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-47.8	173.3	0	0	0	0	0	112.7	I883 R884 Y889 L890 R891	I883-G887 PolarHBondContact O-N 3.2Å; R884-G887 CarbonylContact O-C 3.59Å; R884-G887 WeakPolarHBondContact O-CA 3.29Å; R884-G887 PolarHBondContact O-N 3.38Å; G887-Y889 VanDerWaalsContact C-N 3.35Å; G887-Y889 PolarHBondContact O-N 3.41Å; G887-L890 CarbonylContact O-C 3.52Å; G887-L890 PolarHBondContact O-N 3.11Å; G887-R891 VanDerWaalsContact O-CB 3.31Å; G887-R891 WeakPolarHBondContact O-CB 3.49Å; G887-R891 PolarHBondContact O-N 3.48Å
888	D	96.9	Very high	94.9	Very high	76 Å²	76	34.1 Å²	34.1	41%	0.406	18%	0.18	S	C	.	.	H	α-helix	trans	-59.6	-44.1	177.8	-62.8	-37.5	0	0	0	111.4	Q586 R884 R891 E892	Q586-D888 PolarHBondContact NE2-OD1 2.92Å; R884-D888 VanDerWaalsContact O-CG 3.23Å; R884-D888 PolarHBondContact O-N 2.6Å; R884-D888 VanDerWaalsContact O-OD2 3.12Å; D888-R891 WeakPolarHBondContact O-CB 3.45Å; D888-R891 PolarHBondContact O-N 3.2Å; D888-E892 PolarHBondContact O-N 3.42Å
889	Y	97.9	Very high	95.1	Very high	14 Å²	14	33.4 Å²	33.4	6%	0.055	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-41.4	176.5	174.4	-99.9	0	0	0	112.7	A853 K856 E885 I886 G887 R891 E892 K893	A853-Y889 HydrophobicContact CB-CD1 3.7Å; A853-Y889 HydrophobicContact CB-CE1 3.82Å; K856-Y889 HydrophobicContact CD-CE1 4.44Å; K856-Y889 HydrophobicContact CD-CE2 4.32Å; K856-Y889 WeakPolarHBondContact CD-OH 3.4Å; K856-Y889 PolarHBondContact NZ-OH 3.48Å; E885-Y889 WeakPolarHBondContact O-CB 3.4Å; E885-Y889 PolarHBondContact O-N 3.15Å; I886-Y889 PolarHBondContact O-N 2.96Å; G887-Y889 VanDerWaalsContact C-N 3.35Å; G887-Y889 PolarHBondContact O-N 3.41Å; Y889-R891 PolarHBondContact O-N 3.09Å; Y889-E892 WeakPolarHBondContact O-CB 3.49Å; Y889-E892 PolarHBondContact O-N 2.77Å; Y889-K893 HydrophobicContact CE1-CG 4.16Å; Y889-K893 HydrophobicContact CE2-CG 4.43Å; Y889-K893 WeakPolarHBondContact O-CG 3.49Å; Y889-K893 PolarHBondContact O-N 2.89Å; Y889-K893 VanDerWaalsContact O-N 3.1Å; Y889-K893 WeakPolarHBondContact OH-CE 3.07Å
890	L	98.1	Very high	95.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-25.9	172.6	-73.1	177.1	0	0	0	111.8	F616 A619 L620 A623 A853 I886 G887 K893 Y894	F616-L890 HydrophobicContact CD2-CB 4.15Å; F616-L890 HydrophobicContact CE2-CB 3.79Å; A619-L890 HydrophobicContact CB-CD1 4.25Å; A619-L890 HydrophobicContact CB-CD2 3.94Å; L620-L890 HydrophobicContact CB-CD1 4.2Å; L620-L890 HydrophobicContact CD1-CD1 4.16Å; A623-L890 HydrophobicContact CB-CD1 3.93Å; A853-L890 HydrophobicContact CB-CD1 4.47Å; A853-L890 HydrophobicContact CB-CD2 3.76Å; A853-L890 HydrophobicContact CB-CG 4.01Å; I886-L890 HydrophobicContact CG2-CD1 4.21Å; I886-L890 WeakPolarHBondContact O-CB 3.44Å; I886-L890 WeakPolarHBondContact O-CG 3Å; I886-L890 PolarHBondContact O-N 3.28Å; G887-L890 CarbonylContact O-C 3.52Å; G887-L890 PolarHBondContact O-N 3.11Å; L890-K893 CarbonylContact O-C 3.53Å; L890-K893 PolarHBondContact O-N 2.71Å; L890-Y894 WeakPolarHBondContact O-CB 3.07Å; L890-Y894 PolarHBondContact O-N 3.45Å
891	R	96.1	Very high	95.1	Very high	36 Å²	36	37.6 Å²	37.6	14%	0.136	19%	0.194	C	C	.	.	H	α-helix	trans	-75.4	-40.3	175.8	-175.9	53.9	-179.9	-73.3	-51.3	112.2	Q586 F587 F616 G887 D888 Y889 K893 Y894 E895	Q586-R891 PolarHBondContact O-NH1 2.99Å; F587-R891 VanDerWaalsContact CD2-NH1 3.32Å; F587-R891 VanDerWaalsContact CE2-NH1 3.27Å; F587-R891 VanDerWaalsContact CZ-NH1 3.33Å; F616-R891 HydrophobicContact CE2-CB 4.14Å; G887-R891 VanDerWaalsContact O-CB 3.31Å; G887-R891 WeakPolarHBondContact O-CB 3.49Å; G887-R891 PolarHBondContact O-N 3.48Å; D888-R891 WeakPolarHBondContact O-CB 3.45Å; D888-R891 PolarHBondContact O-N 3.2Å; Y889-R891 PolarHBondContact O-N 3.09Å; R891-K893 VanDerWaalsContact C-N 3.26Å; R891-K893 PolarHBondContact O-N 3.45Å; R891-Y894 WeakPolarHBondContact O-CB 3.08Å; R891-Y894 PolarHBondContact O-N 2.7Å; R891-E895 IonicContact CZ-OE1 3.72Å; R891-E895 IonicContact NE-OE1 3.87Å; R891-E895 PolarHBondContact NE-OE1 2.97Å; R891-E895 IonicContact NH2-OE1 3.16Å; R891-E895 PolarHBondContact NH2-OE1 3.01Å; R891-E895 PolarHBondContact O-N 2.93Å; R891-E895 VanDerWaalsContact O-N 3.11Å
892	E	96.7	Very high	95	Very high	119 Å²	119	39.4 Å²	39.4	56%	0.556	20%	0.203	S	C	*	.	H	α-helix	trans	-52	-47.4	165.6	-173.6	-149	126.2	0	0	110.5	D888 Y889 Y894 E895 G896	D888-E892 PolarHBondContact O-N 3.42Å; Y889-E892 WeakPolarHBondContact O-CB 3.49Å; Y889-E892 PolarHBondContact O-N 2.77Å; E892-Y894 VanDerWaalsContact C-N 3.27Å; E892-Y894 PolarHBondContact O-N 3.2Å; E892-E895 PolarHBondContact O-N 3.37Å; E892-G896 PolarHBondContact O-N 3.39Å
893	K	97.3	Very high	94.9	Very high	35 Å²	35	39 Å²	39	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-18	177.2	-64.8	-53.8	-170.6	-178.2	0	115.3	Y889 L890 R891 A897 H921 D922 L923	Y889-K893 HydrophobicContact CE1-CG 4.16Å; Y889-K893 HydrophobicContact CE2-CG 4.43Å; Y889-K893 WeakPolarHBondContact O-CG 3.49Å; Y889-K893 PolarHBondContact O-N 2.89Å; Y889-K893 VanDerWaalsContact O-N 3.1Å; Y889-K893 WeakPolarHBondContact OH-CE 3.07Å; L890-K893 CarbonylContact O-C 3.53Å; L890-K893 PolarHBondContact O-N 2.71Å; R891-K893 VanDerWaalsContact C-N 3.26Å; R891-K893 PolarHBondContact O-N 3.45Å; K893-A897 PolarHBondContact O-N 2.84Å; K893-H921 WeakPolarHBondContact CD-O 3.46Å; K893-H921 WeakPolarHBondContact CE-O 3.05Å; K893-H921 WeakPolarHBondContact CG-O 3.37Å; K893-D922 WeakPolarHBondContact CE-OD1 3.46Å; K893-D922 IonicContact NZ-OD1 3.28Å; K893-D922 PolarHBondContact NZ-OD1 2.87Å; K893-L923 HydrophobicContact CB-CD1 4.38Å; K893-L923 HydrophobicContact CB-CG 4.07Å
894	Y	96.8	Very high	94.6	Very high	22 Å²	22	49.5 Å²	49.5	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-79.5	-42.6	172.5	159.2	-79.4	0	0	0	111.7	F587 P612 E613 F616 L890 R891 E892 G896 A897	F587-Y894 HydrophobicContact CE1-CE1 4.01Å; F587-Y894 AromaticContact CE1-CE2 3.98Å; F587-Y894 HydrophobicContact CE1-CE2 3.98Å; F587-Y894 AromaticContact CE1-CZ 3.71Å; F587-Y894 HydrophobicContact CZ-CD1 4.06Å; F587-Y894 AromaticContact CZ-CD2 3.95Å; F587-Y894 HydrophobicContact CZ-CD2 3.95Å; F587-Y894 AromaticContact CZ-CE1 3.99Å; F587-Y894 HydrophobicContact CZ-CE1 3.99Å; F587-Y894 AromaticContact CZ-CE2 3.78Å; F587-Y894 HydrophobicContact CZ-CE2 3.78Å; F587-Y894 HydrophobicContact CZ-CG 4.08Å; F587-Y894 AromaticContact CZ-CZ 3.85Å; P612-Y894 HydrophobicContact CB-CD2 3.97Å; P612-Y894 HydrophobicContact CB-CE2 3.55Å; P612-Y894 WeakPolarHBondContact O-CD2 3.36Å; E613-Y894 HydrophobicContact CG-CE2 4.34Å; F616-Y894 HydrophobicContact CB-CD2 3.76Å; F616-Y894 HydrophobicContact CB-CG 4.36Å; F616-Y894 HydrophobicContact CG-CD2 4.49Å; L890-Y894 WeakPolarHBondContact O-CB 3.07Å; L890-Y894 PolarHBondContact O-N 3.45Å; R891-Y894 WeakPolarHBondContact O-CB 3.08Å; R891-Y894 PolarHBondContact O-N 2.7Å; E892-Y894 VanDerWaalsContact C-N 3.27Å; E892-Y894 PolarHBondContact O-N 3.2Å; Y894-G896 PolarHBondContact O-N 3.28Å; Y894-A897 VanDerWaalsContact O-CB 3.23Å; Y894-A897 WeakPolarHBondContact O-CB 3.48Å; Y894-A897 PolarHBondContact O-N 3.19Å; Y894-A897 VanDerWaalsContact O-N 3.14Å
895	E	94.6	Very high	94.2	Very high	101 Å²	101	57.7 Å²	57.7	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-32.6	176.7	-48.7	-62	166.4	0	0	110.9	R590 R891 E892	R590-E895 IonicContact CZ-OE1 3.85Å; R590-E895 IonicContact CZ-OE2 2.69Å; R590-E895 IonicContact NE-OE1 2.95Å; R590-E895 IonicContact NH1-OE1 2.97Å; R590-E895 IonicContact NH1-OE2 2.85Å; R590-E895 PolarHBondContact NH1-OE2 3.29Å; R590-E895 IonicContact NH2-OE1 2.7Å; R590-E895 PolarHBondContact NH2-OE1 3.07Å; R590-E895 IonicContact NH2-OE2 3.35Å; R590-E895 PolarHBondContact NH2-OE2 3.46Å; R891-E895 IonicContact CZ-OE1 3.72Å; R891-E895 IonicContact NE-OE1 3.87Å; R891-E895 PolarHBondContact NE-OE1 2.97Å; R891-E895 IonicContact NH2-OE1 3.16Å; R891-E895 PolarHBondContact NH2-OE1 3.01Å; R891-E895 PolarHBondContact O-N 2.93Å; R891-E895 VanDerWaalsContact O-N 3.11Å; E892-E895 PolarHBondContact O-N 3.37Å
896	G	93.1	Very high	93.6	Very high	53 Å²	53	55.6 Å²	55.6	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12	173.8	0	0	0	0	0	115.9	E892 Y894	E892-G896 PolarHBondContact O-N 3.39Å; Y894-G896 PolarHBondContact O-N 3.28Å
897	A	95.4	Very high	93.2	Very high	17 Å²	17	64.5 Å²	64.5	14%	0.14	30%	0.302	C	S	.	.			trans	-64.1	142.7	-173.4	0	0	0	0	0	112.8	K893 Y894 L923 Y925	K893-A897 PolarHBondContact O-N 2.84Å; Y894-A897 VanDerWaalsContact O-CB 3.23Å; Y894-A897 WeakPolarHBondContact O-CB 3.48Å; Y894-A897 PolarHBondContact O-N 3.19Å; Y894-A897 VanDerWaalsContact O-N 3.14Å; A897-L923 CarbonylContact C-O 3.59Å; A897-L923 WeakPolarHBondContact CA-O 3.45Å; A897-L923 HydrophobicContact CB-CB 4.04Å; A897-Y925 HydrophobicContact CB-CD1 3.92Å; A897-Y925 HydrophobicContact CB-CE1 4.21Å; A897-Y925 WeakPolarHBondContact O-CE1 3.43Å
898	T	95.1	Very high	92.9	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.104	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.3	-171.9	-65	0	0	0	0	113	V900 I910 P918 L923 I924 Y925	T898-V900 PolarHBondContact O-N 3.24Å; T898-I910 HydrophobicContact CG2-CG2 3.71Å; T898-P918 HydrophobicContact CG2-CB 4.48Å; T898-P918 HydrophobicContact CG2-CG 4.15Å; T898-L923 PolarHBondContact N-O 3.02Å; T898-I924 VanDerWaalsContact O-CA 3.31Å; T898-I924 WeakPolarHBondContact O-CA 3.24Å; T898-Y925 PolarHBondContact O-N 3.47Å; T898-Y925 VanDerWaalsContact O-N 3.07Å
899	K	94.8	Very high	92.7	Very high	31 Å²	31	67.9 Å²	67.9	14%	0.135	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.8	178.5	-166	163.8	-178.7	126.1	0	112.5	I910 K911 Y925 L926 E928	K899-I910 WeakPolarHBondContact O-CG2 2.91Å; K899-K911 HydrophobicContact CB-CB 4.39Å; K899-K911 HydrophobicContact CD-CD 3.6Å; K899-K911 HydrophobicContact CG-CB 4.14Å; K899-K911 HydrophobicContact CG-CD 3.99Å; K899-K911 PolarHBondContact O-N 3.16Å; K899-Y925 CarbonylContact C-O 3.6Å; K899-Y925 WeakPolarHBondContact CA-O 3.37Å; K899-Y925 HydrophobicContact CB-CD2 4.38Å; K899-Y925 HydrophobicContact CB-CE1 4.03Å; K899-Y925 HydrophobicContact CB-CE2 3.81Å; K899-Y925 HydrophobicContact CD-CD2 4.38Å; K899-Y925 HydrophobicContact CD-CE2 3.63Å; K899-Y925 HydrophobicContact CG-CD2 4.1Å; K899-Y925 HydrophobicContact CG-CE2 3.68Å; K899-L926 WeakPolarHBondContact CE-O 3.26Å; K899-L926 PolarHBondContact NZ-O 2.99Å; K899-E928 WeakPolarHBondContact CE-OE1 3.39Å; K899-E928 IonicContact NZ-OE1 3.74Å; K899-E928 PolarHBondContact NZ-OE1 2.8Å
900	V	94.1	Very high	92.3	Very high	8 Å²	8	68.3 Å²	68.3	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	168.5	179.3	-66.4	0	0	0	0	112.5	T898 L908 Q909 I924 Y925 L926	T898-V900 PolarHBondContact O-N 3.24Å; V900-L908 HydrophobicContact CG2-CD1 4.37Å; V900-L908 HydrophobicContact CG2-CD2 4.37Å; V900-Q909 CarbonylContact C-O 3.45Å; V900-Q909 VanDerWaalsContact CA-O 3.23Å; V900-Q909 WeakPolarHBondContact CA-O 3.38Å; V900-Q909 WeakPolarHBondContact CB-O 3.28Å; V900-I924 HydrophobicContact CG1-CB 4.16Å; V900-I924 HydrophobicContact CG1-CD1 4.48Å; V900-I924 HydrophobicContact CG1-CG2 4.28Å; V900-I924 HydrophobicContact CG2-CB 4.17Å; V900-I924 HydrophobicContact CG2-CD1 4.25Å; V900-I924 HydrophobicContact CG2-CG1 4.41Å; V900-Y925 VanDerWaalsContact CG2-O 3.26Å; V900-Y925 WeakPolarHBondContact CG2-O 3.14Å; V900-Y925 PolarHBondContact N-O 3.38Å; V900-L926 HydrophobicContact CG2-CD2 3.92Å; V900-L926 HydrophobicContact CG2-CG 4.29Å
901	K	92	Very high	91.6	Very high	99 Å²	99	73.3 Å²	73.3	43%	0.43	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.8	174.4	62	-173.3	174.1	-151.2	0	109.3	Q909 I910 K911	K901-Q909 PolarHBondContact N-O 3.31Å; K901-Q909 PolarHBondContact O-N 2.93Å; K901-I910 WeakPolarHBondContact CE-O 3.38Å; K901-I910 PolarHBondContact NZ-O 3.34Å; K901-K911 PolarHBondContact NZ-O 2.95Å
902	I	90.1	Very high	91.1	Very high	44 Å²	44	74.9 Å²	74.9	23%	0.226	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.3	173.2	-165.3	171.1	0	0	0	110.8	A834 K837 A838 L908	A834-I902 HydrophobicContact CB-CG2 4.33Å; A834-I902 VanDerWaalsContact O-CD1 3.26Å; A834-I902 WeakPolarHBondContact O-CD1 3.23Å; K837-I902 HydrophobicContact CB-CD1 4.42Å; K837-I902 HydrophobicContact CD-CD1 4.37Å; K837-I902 HydrophobicContact CG-CD1 4.22Å; A838-I902 HydrophobicContact CB-CB 3.87Å; A838-I902 HydrophobicContact CB-CD1 4.1Å; A838-I902 HydrophobicContact CB-CG2 4.04Å; I902-L908 HydrophobicContact CB-CD2 4.43Å
903	N	90.5	Very high	90.5	Very high	31 Å²	31	76.8 Å²	76.8	17%	0.166	37%	0.365	C	S	.	.			trans	-89.8	170.1	179.1	77.9	8.2	0	0	0	112.6	R905 G906 R907 Q909	N903-R905 PolarHBondContact O-N 2.83Å; N903-R905 VanDerWaalsContact O-N 3.08Å; N903-R905 WeakPolarHBondContact OD1-CA 3.43Å; N903-R905 WeakPolarHBondContact OD1-CB 3.45Å; N903-R905 PolarHBondContact OD1-N 2.85Å; N903-G906 WeakPolarHBondContact O-CA 3.36Å; N903-G906 PolarHBondContact O-N 3.29Å; N903-G906 PolarHBondContact OD1-N 2.95Å; N903-R907 PolarHBondContact N-O 2.96Å; N903-R907 PolarHBondContact OD1-N 3.04Å; N903-R907 PolarHBondContact OD1-O 3.48Å; N903-Q909 HydrophobicContact CB-CG 4.18Å; N903-Q909 PolarHBondContact ND2-NE2 3.14Å; N903-Q909 PolarHBondContact ND2-OE1 3.41Å
904	K	85.9	Confident	89.8	Confident	225 Å²	225	83.4 Å²	83.4	98%	0.978	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.9	178.5	-66.5	-175.8	179.9	179.8	0	114	G906	K904-G906 VanDerWaalsContact C-N 3.31Å
905	R	85.2	Confident	89.1	Confident	224 Å²	224	88.2 Å²	88.2	85%	0.845	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.3	175.2	-59.1	-178.2	179.9	176.5	0.1	112.7	N903	N903-R905 PolarHBondContact O-N 2.83Å; N903-R905 VanDerWaalsContact O-N 3.08Å; N903-R905 WeakPolarHBondContact OD1-CA 3.43Å; N903-R905 WeakPolarHBondContact OD1-CB 3.45Å; N903-R905 PolarHBondContact OD1-N 2.85Å
906	G	82.9	Confident	88.8	Confident	14 Å²	14	91.6 Å²	91.6	14%	0.144	43%	0.432	C	S	.	.	S	Bend	trans	69.7	32.1	-179.3	0	0	0	0	0	114.2	K837 N903 K904	K837-G906 WeakPolarHBondContact CE-O 3.34Å; K837-G906 PolarHBondContact NZ-O 3Å; N903-G906 WeakPolarHBondContact O-CA 3.36Å; N903-G906 PolarHBondContact O-N 3.29Å; N903-G906 PolarHBondContact OD1-N 2.95Å; K904-G906 VanDerWaalsContact C-N 3.31Å
907	R	87.5	Confident	88.6	Confident	187 Å²	187	94.2 Å²	94.2	71%	0.706	44%	0.437	S	S	*	.			trans	-108.1	154.6	165.3	-64.5	-174.7	-179.3	179.1	-1.1	109.3	N903	N903-R907 PolarHBondContact N-O 2.96Å; N903-R907 PolarHBondContact OD1-N 3.04Å; N903-R907 PolarHBondContact OD1-O 3.48Å
908	L	90.8	Very high	88.4	Confident	43 Å²	43	94.7 Å²	94.7	23%	0.225	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	146.7	169.3	-61.3	177.9	0	0	0	110.4	A838 L841 M842 V900 I902 I924 L926	A838-L908 HydrophobicContact CB-CD2 4.41Å; L841-L908 HydrophobicContact CB-CD1 3.76Å; L841-L908 HydrophobicContact CB-CD2 4.48Å; L841-L908 HydrophobicContact CB-CG 3.98Å; L841-L908 HydrophobicContact CD1-CG 4.38Å; M842-L908 HydrophobicContact CB-CD1 4.48Å; V900-L908 HydrophobicContact CG2-CD1 4.37Å; V900-L908 HydrophobicContact CG2-CD2 4.37Å; I902-L908 HydrophobicContact CB-CD2 4.43Å; L908-I924 HydrophobicContact CD1-CD1 3.69Å; L908-L926 HydrophobicContact CD2-CD2 4.19Å
909	Q	90.9	Very high	88.4	Confident	104 Å²	104	96.4 Å²	96.4	49%	0.486	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.9	172.6	-70.3	-174.5	-48.7	0	0	108.5	V900 K901 N903	V900-Q909 CarbonylContact C-O 3.45Å; V900-Q909 VanDerWaalsContact CA-O 3.23Å; V900-Q909 WeakPolarHBondContact CA-O 3.38Å; V900-Q909 WeakPolarHBondContact CB-O 3.28Å; K901-Q909 PolarHBondContact N-O 3.31Å; K901-Q909 PolarHBondContact O-N 2.93Å; N903-Q909 HydrophobicContact CB-CG 4.18Å; N903-Q909 PolarHBondContact ND2-NE2 3.14Å; N903-Q909 PolarHBondContact ND2-OE1 3.41Å
910	I	90.2	Very high	88.4	Confident	24 Å²	24	96.8 Å²	96.8	12%	0.123	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	143.6	177.9	-34.9	176.9	0	0	0	110.2	T898 K899 K901 D912 F915 V917	T898-I910 HydrophobicContact CG2-CG2 3.71Å; K899-I910 WeakPolarHBondContact O-CG2 2.91Å; K901-I910 WeakPolarHBondContact CE-O 3.38Å; K901-I910 PolarHBondContact NZ-O 3.34Å; I910-D912 WeakPolarHBondContact CB-O 3.24Å; I910-D912 WeakPolarHBondContact CG2-O 3.49Å; I910-F915 WeakPolarHBondContact CD1-O 3.28Å; I910-F915 HydrophobicContact CG2-CB 4.37Å; I910-V917 HydrophobicContact CD1-CB 4.49Å; I910-V917 HydrophobicContact CD1-CG2 4.22Å
911	K	83.7	Confident	88.5	Confident	105 Å²	105	99.5 Å²	99.5	46%	0.457	47%	0.47	S	S	.	.	S	Bend	trans	-64.9	-43.9	176.3	-174.8	-176.5	179.1	-169.4	0	110.7	K899 K901 E928	K899-K911 HydrophobicContact CB-CB 4.39Å; K899-K911 HydrophobicContact CD-CD 3.6Å; K899-K911 HydrophobicContact CG-CB 4.14Å; K899-K911 HydrophobicContact CG-CD 3.99Å; K899-K911 PolarHBondContact O-N 3.16Å; K901-K911 PolarHBondContact NZ-O 2.95Å; K911-E928 IonicContact NZ-OE1 3.94Å; K911-E928 PolarHBondContact NZ-OE1 3.32Å
912	D	85	Confident	88.7	Confident	69 Å²	69	96.1 Å²	96.1	37%	0.369	46%	0.457	S	S	.	.	S	Bend	trans	-122.8	140.8	-177.7	-176.2	-11.4	0	0	0	109.5	I910 Q914 F915	I910-D912 WeakPolarHBondContact CB-O 3.24Å; I910-D912 WeakPolarHBondContact CG2-O 3.49Å; D912-Q914 WeakPolarHBondContact OD1-CG 3.01Å; D912-Q914 PolarHBondContact OD1-N 3.16Å; D912-F915 HydrophobicContact CB-CD2 3.9Å; D912-F915 HydrophobicContact CB-CE2 4.04Å
913	L	84.5	Confident	89	Confident	159 Å²	159	94.1 Å²	94.1	83%	0.832	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-6.7	-176.1	-65.2	172	0	0	0	113.5	F915	L913-F915 VanDerWaalsContact C-N 3.25Å; L913-F915 PolarHBondContact O-N 2.95Å
914	Q	83.1	Confident	89.3	Confident	175 Å²	175	92.9 Å²	92.9	82%	0.818	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.9	175.3	-62.4	-176.5	23.3	0	0	113	D912	D912-Q914 WeakPolarHBondContact OD1-CG 3.01Å; D912-Q914 PolarHBondContact OD1-N 3.16Å
915	F	82.5	Confident	89.7	Confident	122 Å²	122	84.2 Å²	84.2	54%	0.535	40%	0.401	S	S	.	.	S	Bend	trans	-89.2	143.3	179.5	-63.5	-90.5	0	0	0	111.6	I910 D912 L913	I910-F915 WeakPolarHBondContact CD1-O 3.28Å; I910-F915 HydrophobicContact CG2-CB 4.37Å; D912-F915 HydrophobicContact CB-CD2 3.9Å; D912-F915 HydrophobicContact CB-CE2 4.04Å; L913-F915 VanDerWaalsContact C-N 3.25Å; L913-F915 PolarHBondContact O-N 2.95Å
916	K	86.7	Confident	90.1	Very high	172 Å²	172	74.8 Å²	74.8	75%	0.748	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-57.1	145.1	173.5	-174	-178.8	175.4	-176.7	0	110.4	P918	K916-P918 WeakPolarHBondContact O-CD 3.05Å
917	V	89.6	Confident	90.5	Very high	108 Å²	108	76.6 Å²	76.6	66%	0.655	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-59.5	122.2	171.6	-173.8	0	0	0	0	109.3	I910 T919	I910-V917 HydrophobicContact CD1-CB 4.49Å; I910-V917 HydrophobicContact CD1-CG2 4.22Å; V917-T919 PolarHBondContact O-N 3.22Å
918	P	91.9	Very high	90.7	Very high	27 Å²	27	73.4 Å²	73.4	18%	0.175	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-67.1	134.3	-178.1	26.4	-33	0	0	0	110.2	T898 K916 D922 I924	T898-P918 HydrophobicContact CG2-CB 4.48Å; T898-P918 HydrophobicContact CG2-CG 4.15Å; K916-P918 WeakPolarHBondContact O-CD 3.05Å; P918-D922 HydrophobicContact CB-CB 4.2Å; P918-I924 HydrophobicContact CB-CG2 3.7Å; P918-I924 HydrophobicContact CG-CG2 3.66Å
919	T	94.7	Very high	90.8	Very high	54 Å²	54	74 Å²	74	33%	0.331	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-80.6	173.3	175	74.2	0	0	0	0	110.7	H845 V917 H921 D922	H845-T919 PolarHBondContact CE1-O 3.04Å; H845-T919 VanDerWaalsContact CE1-O 3.3Å; H845-T919 PolarHBondContact NE2-O 3.06Å; V917-T919 PolarHBondContact O-N 3.22Å; T919-H921 PolarHBondContact O-N 3.2Å; T919-H921 PolarHBondContact OG1-N 3.45Å; T919-H921 VanDerWaalsContact OG1-N 3.12Å; T919-D922 WeakPolarHBondContact CA-OD2 3.36Å; T919-D922 VanDerWaalsContact CB-OD2 3.26Å; T919-D922 WeakPolarHBondContact CB-OD2 3.48Å; T919-D922 WeakPolarHBondContact CG2-OD2 3.35Å; T919-D922 PolarHBondContact N-OD2 3.08Å; T919-D922 PolarHBondContact O-N 3.48Å; T919-D922 PolarHBondContact OG1-OD2 3.24Å
920	A	94.4	Very high	90.7	Very high	38 Å²	38	70.8 Å²	70.8	31%	0.314	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.2	170.6	0	0	0	0	0	114	A849 R852	A849-A920 VanDerWaalsContact CA-O 3.26Å; A849-A920 WeakPolarHBondContact CA-O 3.25Å; A849-A920 WeakPolarHBondContact CB-O 3.48Å; R852-A920 VanDerWaalsContact CD-O 3.24Å; R852-A920 WeakPolarHBondContact CD-O 3.33Å
921	H	95.8	Very high	90.8	Very high	65 Å²	65	73.7 Å²	73.7	30%	0.301	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-1.1	177	-54.1	105.5	0	0	0	113.6	K893 T919	K893-H921 WeakPolarHBondContact CD-O 3.46Å; K893-H921 WeakPolarHBondContact CE-O 3.05Å; K893-H921 WeakPolarHBondContact CG-O 3.37Å; T919-H921 PolarHBondContact O-N 3.2Å; T919-H921 PolarHBondContact OG1-N 3.45Å; T919-H921 VanDerWaalsContact OG1-N 3.12Å
922	D	96.9	Very high	91.1	Very high	29 Å²	29	69.8 Å²	69.8	16%	0.155	36%	0.361	C	S	.	.	S	Bend	trans	-111.7	143.3	-176.1	-52.6	-55.7	0	0	0	110.2	H845 K893 P918 T919	H845-D922 PolarHBondContact CD2-O 3.13Å; H845-D922 PolarHBondContact NE2-O 3.29Å; K893-D922 WeakPolarHBondContact CE-OD1 3.46Å; K893-D922 IonicContact NZ-OD1 3.28Å; K893-D922 PolarHBondContact NZ-OD1 2.87Å; P918-D922 HydrophobicContact CB-CB 4.2Å; T919-D922 WeakPolarHBondContact CA-OD2 3.36Å; T919-D922 VanDerWaalsContact CB-OD2 3.26Å; T919-D922 WeakPolarHBondContact CB-OD2 3.48Å; T919-D922 WeakPolarHBondContact CG2-OD2 3.35Å; T919-D922 PolarHBondContact N-OD2 3.08Å; T919-D922 PolarHBondContact O-N 3.48Å; T919-D922 PolarHBondContact OG1-OD2 3.24Å
923	L	96.9	Very high	91.5	Very high	1 Å²	1	67 Å²	67	1%	0.005	35%	0.347	C	S	.	.			trans	-81.4	147.1	-178.4	-58.5	-176.7	0	0	0	111.8	A615 F616 A619 N846 A849 K893 A897 T898	A615-L923 HydrophobicContact CB-CB 4.42Å; F616-L923 HydrophobicContact CB-CD1 4.37Å; A619-L923 HydrophobicContact CB-CD1 4.49Å; A619-L923 HydrophobicContact CB-CD2 3.54Å; N846-L923 HydrophobicContact CB-CD2 4.38Å; A849-L923 HydrophobicContact CB-CD2 3.88Å; K893-L923 HydrophobicContact CB-CD1 4.38Å; K893-L923 HydrophobicContact CB-CG 4.07Å; A897-L923 CarbonylContact C-O 3.59Å; A897-L923 WeakPolarHBondContact CA-O 3.45Å; A897-L923 HydrophobicContact CB-CB 4.04Å; T898-L923 PolarHBondContact N-O 3.02Å
924	I	96.4	Very high	91.9	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.9	178.9	67	176.8	0	0	0	112.3	A615 M842 H845 N846 T898 V900 L908 P918	A615-I924 WeakPolarHBondContact CB-O 3.23Å; M842-I924 HydrophobicContact CG-CG1 4.1Å; M842-I924 WeakPolarHBondContact CG-O 3.38Å; H845-I924 HydrophobicContact CB-CD1 3.66Å; H845-I924 HydrophobicContact CB-CG1 4.1Å; H845-I924 VanDerWaalsContact CG-CD1 3.47Å; N846-I924 PolarHBondContact ND2-O 2.97Å; N846-I924 PolarHBondContact OD1-N 3.37Å; N846-I924 PolarHBondContact OD1-O 2.74Å; T898-I924 VanDerWaalsContact O-CA 3.31Å; T898-I924 WeakPolarHBondContact O-CA 3.24Å; V900-I924 HydrophobicContact CG1-CB 4.16Å; V900-I924 HydrophobicContact CG1-CD1 4.48Å; V900-I924 HydrophobicContact CG1-CG2 4.28Å; V900-I924 HydrophobicContact CG2-CB 4.17Å; V900-I924 HydrophobicContact CG2-CD1 4.25Å; V900-I924 HydrophobicContact CG2-CG1 4.41Å; L908-I924 HydrophobicContact CD1-CD1 3.69Å; P918-I924 HydrophobicContact CB-CG2 3.7Å; P918-I924 HydrophobicContact CG-CG2 3.66Å
925	Y	95	Very high	92.1	Very high	43 Å²	43	63.8 Å²	63.8	17%	0.169	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	161.1	-177.1	73.2	-90.9	0	0	0	112.9	P612 A897 T898 K899 V900 D927	P612-Y925 HydrophobicContact CB-CD1 4.45Å; P612-Y925 HydrophobicContact CG-CD1 3.75Å; P612-Y925 HydrophobicContact CG-CD2 3.91Å; P612-Y925 HydrophobicContact CG-CE1 3.84Å; P612-Y925 HydrophobicContact CG-CE2 3.98Å; P612-Y925 HydrophobicContact CG-CG 3.76Å; A897-Y925 HydrophobicContact CB-CD1 3.92Å; A897-Y925 HydrophobicContact CB-CE1 4.21Å; A897-Y925 WeakPolarHBondContact O-CE1 3.43Å; T898-Y925 PolarHBondContact O-N 3.47Å; T898-Y925 VanDerWaalsContact O-N 3.07Å; K899-Y925 CarbonylContact C-O 3.6Å; K899-Y925 WeakPolarHBondContact CA-O 3.37Å; K899-Y925 HydrophobicContact CB-CD2 4.38Å; K899-Y925 HydrophobicContact CB-CE1 4.03Å; K899-Y925 HydrophobicContact CB-CE2 3.81Å; K899-Y925 HydrophobicContact CD-CD2 4.38Å; K899-Y925 HydrophobicContact CD-CE2 3.63Å; K899-Y925 HydrophobicContact CG-CD2 4.1Å; K899-Y925 HydrophobicContact CG-CE2 3.68Å; V900-Y925 VanDerWaalsContact CG2-O 3.26Å; V900-Y925 WeakPolarHBondContact CG2-O 3.14Å; V900-Y925 PolarHBondContact N-O 3.38Å; Y925-D927 WeakPolarHBondContact CD2-O 3.5Å; Y925-D927 WeakPolarHBondContact CE2-O 3.5Å
926	L	93.2	Very high	92.2	Very high	26 Å²	26	59.4 Å²	59.4	14%	0.136	31%	0.308	C	S	.	.	S	Bend	trans	-112.8	-45.7	-174.7	-69.1	160.1	0	0	0	113.1	A610 A838 R839 M842 K899 V900 L908	A610-L926 HydrophobicContact CB-CB 3.88Å; A610-L926 HydrophobicContact CB-CD1 4.1Å; A610-L926 PolarHBondContact O-N 3.36Å; A838-L926 VanDerWaalsContact C-CD1 3.47Å; A838-L926 HydrophobicContact CB-CD1 3.74Å; A838-L926 HydrophobicContact CB-CD2 4.09Å; R839-L926 HydrophobicContact CB-CD1 4.46Å; M842-L926 HydrophobicContact CB-CD1 4.06Å; M842-L926 HydrophobicContact CB-CG 4.48Å; M842-L926 HydrophobicContact CG-CD1 4.41Å; M842-L926 HydrophobicContact CG-CG 4.46Å; M842-L926 HydrophobicContact SD-CB 4.21Å; M842-L926 HydrophobicContact SD-CD1 3.73Å; M842-L926 HydrophobicContact SD-CG 3.79Å; K899-L926 WeakPolarHBondContact CE-O 3.26Å; K899-L926 PolarHBondContact NZ-O 2.99Å; V900-L926 HydrophobicContact CG2-CD2 3.92Å; V900-L926 HydrophobicContact CG2-CG 4.29Å; L908-L926 HydrophobicContact CD2-CD2 4.19Å
927	D	91.3	Very high	92	Very high	52 Å²	52	60.3 Å²	60.3	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-99.9	152.7	-172.8	-60.2	-18.2	0	0	0	109.4	A610 A611 R831 Y925	A610-D927 HydrophobicContact CB-CB 4.28Å; A610-D927 WeakPolarHBondContact CB-OD2 3.46Å; A610-D927 PolarHBondContact N-OD2 3.44Å; A610-D927 PolarHBondContact O-N 2.77Å; A611-D927 WeakPolarHBondContact CA-O 3.3Å; R831-D927 IonicContact NH2-OD2 2.76Å; R831-D927 PolarHBondContact NH2-OD2 3.44Å; R831-D927 VanDerWaalsContact NH2-OD2 3.16Å; Y925-D927 WeakPolarHBondContact CD2-O 3.5Å; Y925-D927 WeakPolarHBondContact CE2-O 3.5Å
928	E	91.7	Very high	91.4	Very high	120 Å²	120	59.1 Å²	59.1	56%	0.561	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-79	151.5	173.4	-92.1	129.8	-116	0	0	109.9	K899 K911	K899-E928 WeakPolarHBondContact CE-OE1 3.39Å; K899-E928 IonicContact NZ-OE1 3.74Å; K899-E928 PolarHBondContact NZ-OE1 2.8Å; K911-E928 IonicContact NZ-OE1 3.94Å; K911-E928 PolarHBondContact NZ-OE1 3.32Å
929	S	91.7	Very high	90.7	Very high	55 Å²	55	59.3 Å²	59.3	39%	0.385	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-59	137.9	177.6	-62	0	0	0	0	111.3	E613	E613-S929 VanDerWaalsContact CD-OG 3.3Å; E613-S929 WeakPolarHBondContact OE1-CB 3.32Å; E613-S929 PolarHBondContact OE1-OG 3.05Å; E613-S929 PolarHBondContact OE2-OG 2.83Å
930	P	90.1	Very high	89.9	Confident	38 Å²	38	64.8 Å²	64.8	25%	0.247	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-73.6	169.5	177.7	32.4	-35.6	0	0	0	111.9	L609 W932 L939	L609-P930 HydrophobicContact CD2-CG 4.19Å; P930-W932 VanDerWaalsContact C-N 3.3Å; P930-W932 HydrophobicContact CG-CD2 3.83Å; P930-W932 HydrophobicContact CG-CE3 4Å; P930-W932 HydrophobicContact CG-CH2 3.68Å; P930-W932 HydrophobicContact CG-CZ2 3.48Å; P930-W932 VanDerWaalsContact CG-CZ2 3.48Å; P930-W932 HydrophobicContact CG-CZ3 3.93Å; P930-W932 PolarHBondContact O-N 2.84Å; P930-L939 HydrophobicContact CB-CD1 3.89Å; P930-L939 HydrophobicContact CG-CD1 3.78Å
931	D	91.1	Very high	89.4	Confident	85 Å²	85	63.3 Å²	63.3	46%	0.455	32%	0.316	S	S	.	.			trans	-72.1	83.9	173.3	-178.9	18.6	0	0	0	111.5	C933 R934	D931-C933 PolarHBondContact O-N 2.76Å; D931-C933 WeakPolarHBondContact OD1-CB 3.46Å; D931-C933 PolarHBondContact OD1-N 2.83Å; D931-C933 VanDerWaalsContact OD1-N 3.08Å; D931-C933 PolarHBondContact OD1-SG 3.01Å; D931-R934 PolarHBondContact O-N 3.28Å; D931-R934 VanDerWaalsContact OD2-CD 3.3Å; D931-R934 WeakPolarHBondContact OD2-CD 3.36Å; D931-R934 WeakPolarHBondContact OD2-CG 3.44Å; D931-R934 IonicContact OD2-NE 2.78Å; D931-R934 PolarHBondContact OD2-NE 3.09Å
932	W	91.6	Very high	88.9	Confident	22 Å²	22	64.4 Å²	64.4	8%	0.083	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-6.8	175.9	-59.1	122.6	0	0	0	114.5	R591 W592 L609 E613 P930 L939 W941	R591-W932 HydrophobicContact CB-CB 3.9Å; W592-W932 HydrophobicContact CB-CB 4.32Å; W592-W932 HydrophobicContact CB-CD2 3.63Å; W592-W932 HydrophobicContact CB-CE3 4.16Å; W592-W932 HydrophobicContact CB-CG 3.71Å; W592-W932 HydrophobicContact CB-CZ2 4.3Å; W592-W932 AromaticContact CD1-CE3 3.81Å; W592-W932 AromaticContact CD1-CH2 3.66Å; W592-W932 AromaticContact CD1-CZ2 3.91Å; W592-W932 AromaticContact CD1-CZ3 3.61Å; W592-W932 HydrophobicContact CG-CD2 4.09Å; W592-W932 AromaticContact CG-CE2 3.94Å; W592-W932 HydrophobicContact CG-CE3 4.29Å; W592-W932 HydrophobicContact CG-CH2 4.24Å; W592-W932 HydrophobicContact CG-CZ2 4.03Å; W592-W932 HydrophobicContact CG-CZ3 4.37Å; W592-W932 AromaticContact NE1-CH2 4Å; L609-W932 HydrophobicContact CD2-CH2 3.96Å; L609-W932 HydrophobicContact CD2-CZ2 3.96Å; E613-W932 HydrophobicContact CB-CZ2 4.5Å; E613-W932 HydrophobicContact CG-CZ2 4.06Å; E613-W932 PolarHBondContact OE1-NE1 2.68Å; P930-W932 VanDerWaalsContact C-N 3.3Å; P930-W932 HydrophobicContact CG-CD2 3.83Å; P930-W932 HydrophobicContact CG-CE3 4Å; P930-W932 HydrophobicContact CG-CH2 3.68Å; P930-W932 HydrophobicContact CG-CZ2 3.48Å; P930-W932 VanDerWaalsContact CG-CZ2 3.48Å; P930-W932 HydrophobicContact CG-CZ3 3.93Å; P930-W932 PolarHBondContact O-N 2.84Å; W932-L939 HydrophobicContact CZ3-CD1 4.41Å; W932-W941 AromaticContact CE3-CD1 3.78Å; W932-W941 AromaticContact CE3-CD2 3.91Å; W932-W941 HydrophobicContact CE3-CD2 3.91Å; W932-W941 AromaticContact CE3-CE2 3.97Å; W932-W941 AromaticContact CE3-CG 3.83Å; W932-W941 HydrophobicContact CE3-CG 3.83Å; W932-W941 AromaticContact CE3-NE1 3.82Å; W932-W941 HydrophobicContact CZ3-CB 4.36Å; W932-W941 HydrophobicContact CZ3-CD2 4.22Å; W932-W941 HydrophobicContact CZ3-CG 4.05Å; W932-W941 PolarHBondContact O-NE1 3.48Å
933	C	93.3	Very high	88.6	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.074	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-48.3	172.4	-67	0	0	0	0	111.7	R591 D931 G943 T944 C964 R966	R591-C933 VanDerWaalsContact CZ-SG 3.52Å; R591-C933 PolarHBondContact NH1-SG 3.39Å; D931-C933 PolarHBondContact O-N 2.76Å; D931-C933 WeakPolarHBondContact OD1-CB 3.46Å; D931-C933 PolarHBondContact OD1-N 2.83Å; D931-C933 VanDerWaalsContact OD1-N 3.08Å; D931-C933 PolarHBondContact OD1-SG 3.01Å; C933-G943 WeakPolarHBondContact O-CA 3.5Å; C933-T944 PolarHBondContact O-N 2.8Å; C933-C964 VanDerWaalsContact CA-SG 3.59Å; C933-C964 HydrophobicContact CB-CB 3.68Å; C933-C964 WeakPolarHBondContact CB-SG 3.43Å; C933-C964 WeakPolarHBondContact SG-CB 3.21Å; C933-C964 CovalentContact SG-SG 2.03Å; C933-C964 PolarHBondContact SG-SG 3.01Å; C933-R966 VanDerWaalsContact C-NH2 3.3Å; C933-R966 PolarHBondContact O-NH2 3.05Å
934	R	91.2	Very high	88.4	Confident	174 Å²	174	63.2 Å²	63.2	66%	0.657	32%	0.324	S	S	*	.	S	Bend	trans	-84	159.9	-172	-65.7	174.7	-175	-104.6	-4.3	111	D931 G943	D931-R934 PolarHBondContact O-N 3.28Å; D931-R934 VanDerWaalsContact OD2-CD 3.3Å; D931-R934 WeakPolarHBondContact OD2-CD 3.36Å; D931-R934 WeakPolarHBondContact OD2-CG 3.44Å; D931-R934 IonicContact OD2-NE 2.78Å; D931-R934 PolarHBondContact OD2-NE 3.09Å; R934-G943 WeakPolarHBondContact O-CA 3.47Å
935	N	88	Confident	88.2	Confident	92 Å²	92	69.5 Å²	69.5	49%	0.492	35%	0.353	S	S	.	.			trans	-66.4	148	163.6	59	-15.9	0	0	0	110.1	Y937 W941 P942	N935-Y937 PolarHBondContact ND2-OH 3.29Å; N935-W941 CarbonylContact C-O 3.55Å; N935-W941 VanDerWaalsContact CA-O 3.3Å; N935-W941 WeakPolarHBondContact CA-O 3.44Å; N935-P942 WeakPolarHBondContact CB-O 3.29Å
936	S	83.9	Confident	88.1	Confident	31 Å²	31	69.5 Å²	69.5	22%	0.217	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-146.1	96.5	177.2	-177.3	0	0	0	0	109.4	A938 L939 H940 W941	S936-A938 PolarHBondContact O-N 3.17Å; S936-L939 CarbonylContact O-C 3.22Å; S936-L939 PolarHBondContact O-N 2.89Å; S936-H940 PolarHBondContact O-N 3.47Å; S936-H940 VanDerWaalsContact O-N 3.09Å; S936-W941 PolarHBondContact N-O 3Å; S936-W941 PolarHBondContact O-N 3.18Å
937	Y	82.8	Confident	88.1	Confident	190 Å²	190	70 Å²	70	75%	0.745	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-55.6	-39.6	178.2	-59.5	-81.9	0	0	0	111.8	N935 L939 H940	N935-Y937 PolarHBondContact ND2-OH 3.29Å; Y937-L939 PolarHBondContact O-N 2.97Å; Y937-L939 VanDerWaalsContact O-N 3.12Å; Y937-H940 PolarHBondContact O-N 3.34Å
938	A	78.7	Confident	88.2	Confident	83 Å²	83	70.8 Å²	70.8	69%	0.686	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-66.7	-10.4	177.6	0	0	0	0	0	114.9	S936	S936-A938 PolarHBondContact O-N 3.17Å
939	L	77.1	Confident	88.4	Confident	32 Å²	32	65.2 Å²	65.2	17%	0.168	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-118.8	5.8	174	-62.3	177.2	0	0	0	112.5	P930 W932 S936 Y937 W941	P930-L939 HydrophobicContact CB-CD1 3.89Å; P930-L939 HydrophobicContact CG-CD1 3.78Å; W932-L939 HydrophobicContact CZ3-CD1 4.41Å; S936-L939 CarbonylContact O-C 3.22Å; S936-L939 PolarHBondContact O-N 2.89Å; Y937-L939 PolarHBondContact O-N 2.97Å; Y937-L939 VanDerWaalsContact O-N 3.12Å; L939-W941 HydrophobicContact CB-CB 4.28Å; L939-W941 PolarHBondContact O-N 2.9Å
940	H	77.8	Confident	88.5	Confident	168 Å²	168	67.1 Å²	67.1	78%	0.778	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	38.4	-170.1	-58.7	105.9	0	0	0	113.6	S936 Y937	S936-H940 PolarHBondContact O-N 3.47Å; S936-H940 VanDerWaalsContact O-N 3.09Å; Y937-H940 PolarHBondContact O-N 3.34Å
941	W	82.5	Confident	88.6	Confident	7 Å²	7	70.3 Å²	70.3	3%	0.027	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-106.6	123.8	-176.2	177.4	-113.4	0	0	0	111.5	R591 N593 T596 W932 N935 S936 L939 G943	R591-W941 WeakPolarHBondContact O-CH2 3.45Å; R591-W941 WeakPolarHBondContact O-CZ2 3.44Å; N593-W941 VanDerWaalsContact OD1-CH2 3.32Å; N593-W941 WeakPolarHBondContact OD1-CH2 3.38Å; N593-W941 VanDerWaalsContact OD1-CZ3 3.32Å; N593-W941 WeakPolarHBondContact OD1-CZ3 3.49Å; T596-W941 HydrophobicContact CG2-CB 4.48Å; T596-W941 HydrophobicContact CG2-CD2 4.35Å; T596-W941 HydrophobicContact CG2-CE3 3.47Å; T596-W941 VanDerWaalsContact CG2-CE3 3.47Å; T596-W941 HydrophobicContact CG2-CZ3 4.17Å; W932-W941 AromaticContact CE3-CD1 3.78Å; W932-W941 AromaticContact CE3-CD2 3.91Å; W932-W941 HydrophobicContact CE3-CD2 3.91Å; W932-W941 AromaticContact CE3-CE2 3.97Å; W932-W941 AromaticContact CE3-CG 3.83Å; W932-W941 HydrophobicContact CE3-CG 3.83Å; W932-W941 AromaticContact CE3-NE1 3.82Å; W932-W941 HydrophobicContact CZ3-CB 4.36Å; W932-W941 HydrophobicContact CZ3-CD2 4.22Å; W932-W941 HydrophobicContact CZ3-CG 4.05Å; W932-W941 PolarHBondContact O-NE1 3.48Å; N935-W941 CarbonylContact C-O 3.55Å; N935-W941 VanDerWaalsContact CA-O 3.3Å; N935-W941 WeakPolarHBondContact CA-O 3.44Å; S936-W941 PolarHBondContact N-O 3Å; S936-W941 PolarHBondContact O-N 3.18Å; L939-W941 HydrophobicContact CB-CB 4.28Å; L939-W941 PolarHBondContact O-N 2.9Å; W941-G943 WeakPolarHBondContact CZ2-O 3.45Å; W941-G943 VanDerWaalsContact NE1-CA 3.33Å; W941-G943 PolarHBondContact O-N 3.13Å
942	P	85.5	Confident	88.5	Confident	89 Å²	89	72.6 Å²	72.6	58%	0.578	37%	0.372	S	S	*	.			trans	-78.1	-12.1	-177.4	30.2	-36.6	0	0	0	114.9	N935	N935-P942 WeakPolarHBondContact CB-O 3.29Å
943	G	90	Very high	88.4	Confident	5 Å²	5	72.9 Å²	72.9	5%	0.052	38%	0.377	C	S	.	.			trans	88.5	-164.2	-172.1	0	0	0	0	0	113.1	C933 R934 W941	C933-G943 WeakPolarHBondContact O-CA 3.5Å; R934-G943 WeakPolarHBondContact O-CA 3.47Å; W941-G943 WeakPolarHBondContact CZ2-O 3.45Å; W941-G943 VanDerWaalsContact NE1-CA 3.33Å; W941-G943 PolarHBondContact O-N 3.13Å
944	T	93.6	Very high	88.1	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	42%	0.415	C	S	.	.	S	Bend	trans	-100.4	0.6	-178.3	57.3	0	0	0	0	115.6	R591 C933 R947 L962 R966 C1003	R591-T944 HydrophobicContact CB-CG2 4.05Å; R591-T944 HydrophobicContact CG-CG2 4.2Å; C933-T944 PolarHBondContact O-N 2.8Å; T944-R947 PolarHBondContact O-N 2.93Å; T944-L962 VanDerWaalsContact CB-O 3.3Å; T944-L962 WeakPolarHBondContact CB-O 3.37Å; T944-L962 WeakPolarHBondContact CG2-O 3.39Å; T944-L962 PolarHBondContact OG1-O 2.96Å; T944-R966 PolarHBondContact OG1-NH1 3.27Å; T944-R966 PolarHBondContact OG1-NH2 3.15Å; T944-C1003 WeakPolarHBondContact O-CB 3.39Å
945	H	93.1	Very high	87.9	Confident	136 Å²	136	71.5 Å²	71.5	63%	0.63	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	142.6	178.7	178.7	-82.5	0	0	0	112	R947 K1004	H945-R947 PolarHBondContact O-N 3.5Å; H945-K1004 PolarHBondContact CD2-O 3.42Å
946	G	92.5	Very high	88	Confident	43 Å²	43	70.6 Å²	70.6	44%	0.443	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-5.9	176.7	0	0	0	0	0	115.6	C1003	G946-C1003 PolarHBondContact N-O 2.88Å
947	R	93.2	Very high	88.4	Confident	37 Å²	37	71.7 Å²	71.7	14%	0.14	40%	0.396	C	S	.	.			trans	-74.9	139.2	-178.9	-69.6	-172.4	58.8	-169.7	-7.3	112.6	K588 R590 R591 T944 H945 T1002 C1003	K588-R947 PolarHBondContact O-NH2 3.31Å; R590-R947 VanDerWaalsContact O-CZ 3.31Å; R590-R947 PolarHBondContact O-NH1 2.91Å; R590-R947 PolarHBondContact O-NH2 3.01Å; R591-R947 PolarHBondContact O-NH1 3.49Å; T944-R947 PolarHBondContact O-N 2.93Å; H945-R947 PolarHBondContact O-N 3.5Å; R947-T1002 CarbonylContact O-C 3.47Å; R947-T1002 WeakPolarHBondContact O-CA 3.14Å; R947-C1003 PolarHBondContact O-N 2.82Å
948	V	93.4	Very high	89	Confident	69 Å²	69	63.3 Å²	63.3	42%	0.418	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.3	172.2	-176.6	0	0	0	0	110.3	L962 E1000 H1001 T1002	V948-L962 VanDerWaalsContact O-CD2 3.27Å; V948-L962 WeakPolarHBondContact O-CD2 3.36Å; V948-E1000 HydrophobicContact CG1-CG 3.86Å; V948-E1000 HydrophobicContact CG2-CG 4.03Å; V948-H1001 CarbonylContact C-O 3.55Å; V948-H1001 WeakPolarHBondContact CA-O 3.44Å; V948-T1002 HydrophobicContact CG2-CG2 4.16Å
949	C	94.8	Very high	89.7	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	161.8	177.9	67.3	0	0	0	0	110.7	C959 L962 H1001	C949-C959 HydrophobicContact CB-CB 3.89Å; C949-C959 WeakPolarHBondContact CB-SG 3.42Å; C949-C959 VanDerWaalsContact SG-CA 3.55Å; C949-C959 WeakPolarHBondContact SG-CB 3.16Å; C949-C959 CovalentContact SG-SG 2.04Å; C949-C959 PolarHBondContact SG-SG 3.11Å; C949-L962 HydrophobicContact CB-CB 4.49Å; C949-L962 HydrophobicContact CB-CD2 4.03Å; C949-H1001 PolarHBondContact N-O 2.83Å
950	H	94.3	Very high	90.5	Very high	96 Å²	96	61.3 Å²	61.3	44%	0.444	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-107.2	132.6	175.2	-60.2	-58.5	0	0	0	110.7	E957 S958 C959	H950-E957 HydrophobicContact CB-CG 4.36Å; H950-E957 PolarHBondContact N-O 2.91Å; H950-E957 VanDerWaalsContact N-O 3.07Å; H950-S958 CarbonylContact O-C 3.55Å; H950-S958 VanDerWaalsContact O-CA 3.29Å; H950-S958 WeakPolarHBondContact O-CA 3.31Å; H950-C959 PolarHBondContact O-N 3.17Å; H950-C959 PolarHBondContact O-SG 3.49Å
951	K	91.9	Very high	91.3	Very high	105 Å²	105	56.2 Å²	56.2	46%	0.457	33%	0.331	S	S	.	.	S	Bend	trans	-78.8	-36.3	-177	173.9	-174.8	172.6	-167.6	0	112.7	Y968 H1001	K951-Y968 HydrophobicContact CD-CE2 4.47Å; K951-Y968 WeakPolarHBondContact CD-OH 3.41Å; K951-H1001 VanDerWaalsContact CB-CD2 3.42Å; K951-H1001 WeakPolarHBondContact CB-CD2 3.21Å; K951-H1001 VanDerWaalsContact CB-NE2 3.3Å; K951-H1001 WeakPolarHBondContact CB-NE2 3.18Å
952	N	88.8	Confident	91.8	Very high	132 Å²	132	56 Å²	56	71%	0.706	33%	0.33	S	S	*	.	S	Bend	trans	-91.5	-5.9	-171.3	-63.5	-1.2	0	0	0	113.7
953	S	89.6	Confident	92.3	Very high	29 Å²	29	51.8 Å²	51.8	20%	0.203	30%	0.303	C	S	.	.			trans	-90.4	149.9	179.2	66.3	0	0	0	0	112.4	E957 S958	S953-E957 WeakPolarHBondContact CB-OE1 3.41Å; S953-E957 WeakPolarHBondContact OG-CG 3.44Å; S953-E957 PolarHBondContact OG-OE1 3.1Å; S953-S958 WeakPolarHBondContact O-CB 3.21Å; S953-S958 PolarHBondContact O-OG 2.84Å
954	S	87.4	Confident	92.6	Very high	123 Å²	123	53.1 Å²	53.1	86%	0.86	31%	0.311	S	S	*	.			trans	-94.7	-7	174.5	54.1	0	0	0	0	113.4
955	G	88	Confident	92.5	Very high	32 Å²	32	56.3 Å²	56.3	33%	0.33	34%	0.344	S	S	.	.	S	Bend	trans	-78.9	-174.5	-178.4	0	0	0	0	0	114.4	E957 S958	G955-E957 PolarHBondContact O-N 3.19Å; G955-S958 WeakPolarHBondContact O-CB 3.44Å; G955-S958 PolarHBondContact O-N 3.18Å
956	L	90.2	Very high	92.6	Very high	74 Å²	74	54.4 Å²	54.4	39%	0.387	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.9	-175.1	-59.7	176.4	0	0	0	114.2	N589 R590 S958 I961	N589-L956 CarbonylContact O-C 3.6Å; N589-L956 VanDerWaalsContact O-C 3.22Å; N589-L956 WeakPolarHBondContact O-CB 3.37Å; R590-L956 HydrophobicContact CG-CD1 3.87Å; R590-L956 VanDerWaalsContact NE-CD1 3.27Å; L956-S958 PolarHBondContact O-N 2.92Å; L956-I961 HydrophobicContact CD2-CD1 4.41Å; L956-I961 HydrophobicContact CD2-CG2 4.09Å
957	E	91.2	Very high	92.6	Very high	54 Å²	54	53.7 Å²	53.7	25%	0.252	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.7	170.8	72	-156.4	-165.8	0	0	113.8	N589 H950 S953 G955 C959	N589-E957 HydrophobicContact CB-CB 3.88Å; N589-E957 PolarHBondContact ND2-OE2 3.34Å; N589-E957 PolarHBondContact O-N 3.45Å; H950-E957 HydrophobicContact CB-CG 4.36Å; H950-E957 PolarHBondContact N-O 2.91Å; H950-E957 VanDerWaalsContact N-O 3.07Å; S953-E957 WeakPolarHBondContact CB-OE1 3.41Å; S953-E957 WeakPolarHBondContact OG-CG 3.44Å; S953-E957 PolarHBondContact OG-OE1 3.1Å; G955-E957 PolarHBondContact O-N 3.19Å; E957-C959 PolarHBondContact O-N 3.17Å
958	S	94.5	Very high	92.7	Very high	13 Å²	13	55.5 Å²	55.5	9%	0.091	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-57.7	134.1	-178.6	-175.6	0	0	0	0	110	H950 S953 G955 L956 A960 I961 L962	H950-S958 CarbonylContact O-C 3.55Å; H950-S958 VanDerWaalsContact O-CA 3.29Å; H950-S958 WeakPolarHBondContact O-CA 3.31Å; S953-S958 WeakPolarHBondContact O-CB 3.21Å; S953-S958 PolarHBondContact O-OG 2.84Å; G955-S958 WeakPolarHBondContact O-CB 3.44Å; G955-S958 PolarHBondContact O-N 3.18Å; L956-S958 PolarHBondContact O-N 2.92Å; S958-A960 PolarHBondContact O-N 3.36Å; S958-I961 PolarHBondContact O-N 2.84Å; S958-L962 PolarHBondContact O-N 3.48Å
959	C	95.1	Very high	92.9	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.02	33%	0.331	C	S	.	.	H	α-helix	trans	-55.6	-27.3	178.1	-61.7	0	0	0	0	112.9	C949 H950 E957 C963 Y968	C949-C959 HydrophobicContact CB-CB 3.89Å; C949-C959 WeakPolarHBondContact CB-SG 3.42Å; C949-C959 VanDerWaalsContact SG-CA 3.55Å; C949-C959 WeakPolarHBondContact SG-CB 3.16Å; C949-C959 CovalentContact SG-SG 2.04Å; C949-C959 PolarHBondContact SG-SG 3.11Å; H950-C959 PolarHBondContact O-N 3.17Å; H950-C959 PolarHBondContact O-SG 3.49Å; E957-C959 PolarHBondContact O-N 3.17Å; C959-C963 WeakPolarHBondContact O-CB 3.39Å; C959-C963 PolarHBondContact O-N 3.45Å; C959-C963 PolarHBondContact O-SG 2.91Å; C959-C963 VanDerWaalsContact O-SG 3.32Å; C959-Y968 HydrophobicContact CB-CD1 3.45Å; C959-Y968 VanDerWaalsContact CB-CD1 3.45Å; C959-Y968 HydrophobicContact CB-CE1 3.93Å; C959-Y968 HydrophobicContact CB-CG 4.03Å
960	A	93.3	Very high	92.9	Very high	71 Å²	71	59 Å²	59	59%	0.587	35%	0.35	S	S	*	.	H	α-helix	trans	-64.9	-41.5	173.1	0	0	0	0	0	112.8	S958 G965	S958-A960 PolarHBondContact O-N 3.36Å; A960-G965 PolarHBondContact O-N 3.11Å
961	I	93.7	Very high	92.8	Very high	60 Å²	60	57.4 Å²	57.4	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-87	-46.7	-176	-59.5	-175.5	0	0	0	111.1	R591 L956 S958 C964	R591-I961 VanDerWaalsContact CZ-O 3.28Å; R591-I961 PolarHBondContact NE-O 2.83Å; R591-I961 PolarHBondContact NH2-O 3.03Å; L956-I961 HydrophobicContact CD2-CD1 4.41Å; L956-I961 HydrophobicContact CD2-CG2 4.09Å; S958-I961 PolarHBondContact O-N 2.84Å; I961-C964 PolarHBondContact O-N 2.82Å
962	L	94.4	Very high	92.9	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-71.6	-44	-173.9	-165	64.8	0	0	0	112.1	R591 T944 V948 C949 S958 C964	R591-L962 HydrophobicContact CG-CD1 4.42Å; T944-L962 VanDerWaalsContact CB-O 3.3Å; T944-L962 WeakPolarHBondContact CB-O 3.37Å; T944-L962 WeakPolarHBondContact CG2-O 3.39Å; T944-L962 PolarHBondContact OG1-O 2.96Å; V948-L962 VanDerWaalsContact O-CD2 3.27Å; V948-L962 WeakPolarHBondContact O-CD2 3.36Å; C949-L962 HydrophobicContact CB-CB 4.49Å; C949-L962 HydrophobicContact CB-CD2 4.03Å; S958-L962 PolarHBondContact O-N 3.48Å; L962-C964 PolarHBondContact O-N 2.79Å
963	C	95.7	Very high	93.1	Very high	0 Å²	0	53 Å²	53	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	8.9	178.4	-40.8	0	0	0	0	113.1	C959 G965 R966 G967 C1003	C959-C963 WeakPolarHBondContact O-CB 3.39Å; C959-C963 PolarHBondContact O-N 3.45Å; C959-C963 PolarHBondContact O-SG 2.91Å; C959-C963 VanDerWaalsContact O-SG 3.32Å; C963-G965 PolarHBondContact O-N 3.05Å; C963-G965 VanDerWaalsContact O-N 3.08Å; C963-R966 WeakPolarHBondContact O-CB 3.31Å; C963-R966 WeakPolarHBondContact O-CG 3.49Å; C963-R966 PolarHBondContact O-N 2.76Å; C963-G967 VanDerWaalsContact CB-O 3.29Å; C963-G967 WeakPolarHBondContact CB-O 3.44Å; C963-C1003 WeakPolarHBondContact CA-SG 3.33Å; C963-C1003 HydrophobicContact CB-CB 3.51Å; C963-C1003 WeakPolarHBondContact CB-SG 3.44Å; C963-C1003 PolarHBondContact N-SG 2.72Å; C963-C1003 VanDerWaalsContact N-SG 3.41Å; C963-C1003 WeakPolarHBondContact SG-CA 3.46Å; C963-C1003 WeakPolarHBondContact SG-CB 3.2Å; C963-C1003 CovalentContact SG-SG 2.04Å; C963-C1003 PolarHBondContact SG-SG 2.69Å
964	C	95.1	Very high	93.3	Very high	34 Å²	34	56.9 Å²	56.9	23%	0.23	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.8	172.1	-56	0	0	0	0	114.9	R591 C933 I961 L962 R966	R591-C964 VanDerWaalsContact CZ-SG 3.53Å; R591-C964 PolarHBondContact NE-SG 3.3Å; C933-C964 VanDerWaalsContact CA-SG 3.59Å; C933-C964 HydrophobicContact CB-CB 3.68Å; C933-C964 WeakPolarHBondContact CB-SG 3.43Å; C933-C964 WeakPolarHBondContact SG-CB 3.21Å; C933-C964 CovalentContact SG-SG 2.03Å; C933-C964 PolarHBondContact SG-SG 3.01Å; I961-C964 PolarHBondContact O-N 2.82Å; L962-C964 PolarHBondContact O-N 2.79Å; C964-R966 VanDerWaalsContact C-N 3.31Å; C964-R966 PolarHBondContact O-N 2.85Å
965	G	93	Very high	93.5	Very high	67 Å²	67	51.9 Å²	51.9	69%	0.691	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	2.6	-178.8	0	0	0	0	0	116.3	A960 C963 G967	A960-G965 PolarHBondContact O-N 3.11Å; C963-G965 PolarHBondContact O-N 3.05Å; C963-G965 VanDerWaalsContact O-N 3.08Å; G965-G967 PolarHBondContact O-N 3.07Å
966	R	94	Very high	93.7	Very high	95 Å²	95	54.8 Å²	54.8	36%	0.358	31%	0.313	S	S	.	.	S	Bend	trans	-73.6	-9.1	175	-55.7	-171.4	-146.1	96.6	3.5	113.8	C933 T944 C963 C964 K1004	C933-R966 VanDerWaalsContact C-NH2 3.3Å; C933-R966 PolarHBondContact O-NH2 3.05Å; T944-R966 PolarHBondContact OG1-NH1 3.27Å; T944-R966 PolarHBondContact OG1-NH2 3.15Å; C963-R966 WeakPolarHBondContact O-CB 3.31Å; C963-R966 WeakPolarHBondContact O-CG 3.49Å; C963-R966 PolarHBondContact O-N 2.76Å; C964-R966 VanDerWaalsContact C-N 3.31Å; C964-R966 PolarHBondContact O-N 2.85Å; R966-K1004 HydrophobicContact CB-CB 4.02Å; R966-K1004 VanDerWaalsContact CD-O 3.28Å; R966-K1004 WeakPolarHBondContact CD-O 3.21Å; R966-K1004 WeakPolarHBondContact CD-OXT 3.35Å; R966-K1004 PolarHBondContact NH1-OXT 3.38Å
967	G	93.7	Very high	93.7	Very high	29 Å²	29	53.1 Å²	53.1	30%	0.299	30%	0.303	S	S	.	.			trans	76.5	-170	-167.7	0	0	0	0	0	112.3	C963 G965 K1004	C963-G967 VanDerWaalsContact CB-O 3.29Å; C963-G967 WeakPolarHBondContact CB-O 3.44Å; G965-G967 PolarHBondContact O-N 3.07Å; G967-K1004 PolarHBondContact O-N 3.42Å; G967-K1004 VanDerWaalsContact O-N 3.16Å
968	Y	95.8	Very high	93.7	Very high	74 Å²	74	57.5 Å²	57.5	29%	0.29	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161	-175.2	53.3	-85.8	0	0	0	110	K951 C959 H1001 T1002 K1004	K951-Y968 HydrophobicContact CD-CE2 4.47Å; K951-Y968 WeakPolarHBondContact CD-OH 3.41Å; C959-Y968 HydrophobicContact CB-CD1 3.45Å; C959-Y968 VanDerWaalsContact CB-CD1 3.45Å; C959-Y968 HydrophobicContact CB-CE1 3.93Å; C959-Y968 HydrophobicContact CB-CG 4.03Å; Y968-H1001 HydrophobicContact CD2-CB 3.77Å; Y968-H1001 AromaticContact CD2-CG 3.98Å; Y968-H1001 AromaticContact CD2-ND1 3.89Å; Y968-H1001 HydrophobicContact CE2-CB 4.38Å; Y968-H1001 AromaticContact CE2-ND1 3.76Å; Y968-H1001 HydrophobicContact CG-CB 4.3Å; Y968-T1002 CarbonylContact C-O 3.47Å; Y968-T1002 WeakPolarHBondContact CA-O 3.33Å; Y968-T1002 VanDerWaalsContact CB-O 3.32Å; Y968-T1002 WeakPolarHBondContact CB-O 3.27Å; Y968-K1004 VanDerWaalsContact O-CE 3.26Å; Y968-K1004 WeakPolarHBondContact O-CE 3.46Å; Y968-K1004 PolarHBondContact O-NZ 2.85Å
969	N	95.9	Very high	93.7	Very high	78 Å²	78	57.5 Å²	57.5	42%	0.417	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	152.1	161.7	-60	-46.3	0	0	0	108.2	H1001 T1002 K1004	N969-H1001 CarbonylContact O-C 3.58Å; N969-H1001 VanDerWaalsContact O-CA 3.23Å; N969-H1001 WeakPolarHBondContact O-CA 3.31Å; N969-T1002 PolarHBondContact N-O 2.69Å; N969-T1002 PolarHBondContact O-N 3.34Å; N969-K1004 WeakPolarHBondContact OD1-CE 3.26Å
970	T	95.3	Very high	93.6	Very high	67 Å²	67	62 Å²	62	41%	0.411	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.9	167.3	-57.4	0	0	0	0	108	E999 E1000 H1001	T970-E999 HydrophobicContact CG2-CB 3.96Å; T970-E999 HydrophobicContact CG2-CG 4.05Å; T970-E1000 WeakPolarHBondContact CA-O 3.33Å; T970-H1001 PolarHBondContact OG1-ND1 3.36Å
971	K	93.3	Very high	93.6	Very high	63 Å²	63	61.2 Å²	61.2	27%	0.274	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.5	169.2	62.7	174.6	-174.4	-171.1	0	109.3	T489 I973 E1000	T489-K971 PolarHBondContact OG1-NZ 3.19Å; K971-I973 HydrophobicContact CD-CG2 3.98Å; K971-I973 HydrophobicContact CG-CG2 4.14Å; K971-E1000 WeakPolarHBondContact CE-OE1 3.28Å; K971-E1000 HydrophobicContact CG-CB 4.19Å; K971-E1000 PolarHBondContact N-O 2.8Å; K971-E1000 IonicContact NZ-OE1 3.53Å; K971-E1000 PolarHBondContact NZ-OE1 2.98Å; K971-E1000 PolarHBondContact O-N 2.91Å
972	N	93.7	Very high	93.5	Very high	111 Å²	111	63.8 Å²	63.8	59%	0.594	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	116	174.6	-66.1	8.7	0	0	0	107.8	V997 L998	N972-V997 HydrophobicContact CB-CG1 3.88Å; N972-L998 WeakPolarHBondContact CA-O 3.31Å
973	I	92.7	Very high	93.4	Very high	34 Å²	34	69.6 Å²	69.6	17%	0.174	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138	177.3	54.6	169.7	0	0	0	110.2	K971 V975 V997 L998 E1000	K971-I973 HydrophobicContact CD-CG2 3.98Å; K971-I973 HydrophobicContact CG-CG2 4.14Å; I973-V975 HydrophobicContact CB-CG2 4.48Å; I973-V975 HydrophobicContact CD1-CG2 3.63Å; I973-V975 HydrophobicContact CG1-CG2 3.91Å; I973-V975 PolarHBondContact O-N 3.43Å; I973-V997 WeakPolarHBondContact O-CA 3.49Å; I973-L998 HydrophobicContact CG1-CB 4.11Å; I973-L998 WeakPolarHBondContact CG1-O 3.33Å; I973-L998 PolarHBondContact N-O 2.88Å; I973-L998 PolarHBondContact O-N 2.81Å; I973-E1000 HydrophobicContact CD1-CB 4Å; I973-E1000 HydrophobicContact CG1-CB 4.25Å
974	I	92.9	Very high	93	Very high	110 Å²	110	73.9 Å²	73.9	56%	0.564	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	97.7	174.5	-54.3	179.5	0	0	0	107.5	T995 V997	I974-T995 HydrophobicContact CG2-CG2 3.98Å; I974-V997 HydrophobicContact CG1-CG2 4.49Å
975	V	91.3	Very high	92.6	Very high	18 Å²	18	83.3 Å²	83.3	11%	0.109	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.8	179	176.3	0	0	0	0	109.2	K493 I973 K996 L998	K493-V975 HydrophobicContact CD-CG1 4.31Å; I973-V975 HydrophobicContact CB-CG2 4.48Å; I973-V975 HydrophobicContact CD1-CG2 3.63Å; I973-V975 HydrophobicContact CG1-CG2 3.91Å; I973-V975 PolarHBondContact O-N 3.43Å; V975-K996 PolarHBondContact N-O 3.32Å; V975-K996 PolarHBondContact O-N 3.47Å; V975-L998 HydrophobicContact CB-CD1 4.15Å; V975-L998 HydrophobicContact CG2-CD1 3.93Å; V975-L998 HydrophobicContact CG2-CG 4.42Å
976	N	93.9	Very high	91.9	Very high	93 Å²	93	82.9 Å²	82.9	50%	0.497	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.9	170.9	-67.4	-21.6	0	0	0	110.1	K493 V993 T995	K493-N976 PolarHBondContact NZ-O 3.05Å; N976-V993 HydrophobicContact CB-CG1 4.22Å; N976-T995 WeakPolarHBondContact OD1-CG2 3.49Å
977	E	90.2	Very high	90.9	Very high	38 Å²	38	83.4 Å²	83.4	18%	0.178	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.4	169.4	66.2	168.2	-151.2	0	0	113.1	K163 C979 C994 K996	K163-E977 IonicContact NZ-OE1 3.04Å; K163-E977 PolarHBondContact NZ-OE1 2.76Å; K163-E977 IonicContact NZ-OE2 3.45Å; K163-E977 PolarHBondContact NZ-OE2 3.38Å; E977-C979 PolarHBondContact O-N 3.36Å; E977-C994 PolarHBondContact N-O 3.32Å; E977-C994 PolarHBondContact O-N 3.5Å; E977-K996 HydrophobicContact CG-CD 4.22Å; E977-K996 WeakPolarHBondContact OE1-CE 3.33Å; E977-K996 IonicContact OE1-NZ 3.33Å; E977-K996 PolarHBondContact OE1-NZ 2.88Å
978	R	91.6	Very high	90.7	Very high	146 Å²	146	86.6 Å²	86.6	55%	0.551	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.6	169.8	-63.6	-174.4	-173.7	-163.8	2.1	108.7	F156 C991 E992	F156-R978 VanDerWaalsContact CE1-NH1 3.33Å; R978-C991 HydrophobicContact CB-CB 3.89Å; R978-C991 HydrophobicContact CG-CB 4.37Å; R978-E992 WeakPolarHBondContact CA-O 3.47Å
979	C	93	Very high	90.5	Very high	14 Å²	14	86.4 Å²	86.4	10%	0.095	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	173.5	-176.3	68.8	0	0	0	0	110.5	E977 C981 E992 C994	E977-C979 PolarHBondContact O-N 3.36Å; C979-C981 PolarHBondContact O-N 3.27Å; C979-E992 PolarHBondContact N-O 2.96Å; C979-E992 PolarHBondContact O-N 3.08Å; C979-C994 HydrophobicContact CB-CB 3.67Å; C979-C994 WeakPolarHBondContact CB-SG 3.23Å; C979-C994 WeakPolarHBondContact SG-CB 3.42Å; C979-C994 PolarHBondContact SG-N 3.5Å; C979-C994 CovalentContact SG-SG 2.03Å; C979-C994 PolarHBondContact SG-SG 3Å
980	N	93.3	Very high	90.3	Very high	96 Å²	96	88 Å²	88	51%	0.513	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.1	29.7	176	-57.7	-13.8	0	0	0	113.9	K982 E992	N980-K982 WeakPolarHBondContact O-CG 3.29Å; N980-K982 PolarHBondContact O-N 3.1Å; N980-K982 VanDerWaalsContact O-N 3.13Å; N980-E992 HydrophobicContact CB-CB 4.23Å; N980-E992 HydrophobicContact CB-CG 4.32Å; N980-E992 WeakPolarHBondContact CB-OE2 3.43Å; N980-E992 PolarHBondContact ND2-OE2 3.16Å
981	C	94.5	Very high	90.4	Very high	56 Å²	56	86.8 Å²	86.8	38%	0.378	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	111.1	-172.9	-64.5	0	0	0	0	111.1	C979 V989 K990 C991	C979-C981 PolarHBondContact O-N 3.27Å; C981-V989 HydrophobicContact CB-CG1 3.86Å; C981-K990 CarbonylContact C-O 3.56Å; C981-K990 WeakPolarHBondContact CA-O 3.48Å; C981-C991 HydrophobicContact CB-CB 4.11Å; C981-C991 WeakPolarHBondContact CB-SG 3.35Å; C981-C991 WeakPolarHBondContact SG-CB 3.36Å; C981-C991 CovalentContact SG-SG 2.04Å; C981-C991 PolarHBondContact SG-SG 2.86Å
982	K	90.9	Very high	90.4	Very high	114 Å²	114	87.9 Å²	87.9	50%	0.496	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.9	178	-69.3	144.3	-171.8	162.8	0	108.6	N980 H984 K990 E992	N980-K982 WeakPolarHBondContact O-CG 3.29Å; N980-K982 PolarHBondContact O-N 3.1Å; N980-K982 VanDerWaalsContact O-N 3.13Å; K982-H984 PolarHBondContact O-CD2 3.46Å; K982-H984 PolarHBondContact O-N 3.3Å; K982-K990 PolarHBondContact N-O 3.19Å; K982-K990 PolarHBondContact O-N 3.37Å; K982-E992 IonicContact NZ-OE1 2.96Å; K982-E992 PolarHBondContact NZ-OE1 2.8Å
983	F	92.2	Very high	90.5	Very high	125 Å²	125	87.7 Å²	87.7	55%	0.548	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.6	168.5	-178.2	-100.1	0	0	0	108.9	W985 V989	F983-W985 AromaticContact CE1-CE3 3.88Å; F983-W985 HydrophobicContact CE1-CE3 3.88Å; F983-W985 HydrophobicContact CE1-CZ3 4.41Å; F983-V989 HydrophobicContact CD2-CG2 3.91Å
984	H	87.2	Confident	90.6	Very high	90 Å²	90	87.8 Å²	87.8	42%	0.417	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122	171.1	-68.9	-94.2	0	0	0	108.6	K982 C986 Q988	K982-H984 PolarHBondContact O-CD2 3.46Å; K982-H984 PolarHBondContact O-N 3.3Å; H984-C986 CarbonylContact O-C 3.59Å; H984-C986 PolarHBondContact O-N 3.37Å; H984-C986 VanDerWaalsContact O-N 3.15Å; H984-Q988 PolarHBondContact N-O 3.39Å
985	W	86.3	Confident	90.7	Very high	232 Å²	232	87.4 Å²	87.4	88%	0.879	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	119.4	-174	179	-97.4	0	0	0	111.5	F983	F983-W985 AromaticContact CE1-CE3 3.88Å; F983-W985 HydrophobicContact CE1-CE3 3.88Å; F983-W985 HydrophobicContact CE1-CZ3 4.41Å
986	C	78.8	Confident	90.7	Very high	58 Å²	58	91 Å²	91	39%	0.392	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	34.6	115.6	-154.4	-164.9	0	0	0	0	117.5	Q72 H984	Q72-C986 PolarHBondContact NE2-SG 2.8Å; Q72-C986 VanDerWaalsContact NE2-SG 3.41Å; H984-C986 CarbonylContact O-C 3.59Å; H984-C986 PolarHBondContact O-N 3.37Å; H984-C986 VanDerWaalsContact O-N 3.15Å
987	C	73.8	Confident	90.6	Very high	105 Å²	105	91.2 Å²	91.2	71%	0.709	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	cis	-148.4	59.2	-5.5	-77.3	0	0	0	0	108.8
988	Q	88.9	Confident	90.7	Very high	96 Å²	96	93.4 Å²	93.4	45%	0.449	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.1	-175.5	-168.1	179.6	31.9	0	0	112.5	H984 K990	H984-Q988 PolarHBondContact N-O 3.39Å; Q988-K990 HydrophobicContact CG-CG 4.22Å
989	V	92	Very high	90.7	Very high	70 Å²	70	92.1 Å²	92.1	42%	0.424	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.6	161.8	-178.8	0	0	0	0	108.6	C981 F983	C981-V989 HydrophobicContact CB-CG1 3.86Å; F983-V989 HydrophobicContact CD2-CG2 3.91Å
990	K	91.8	Very high	90.8	Very high	112 Å²	112	93.6 Å²	93.6	49%	0.487	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.6	168.6	-65.8	-170.1	-179.8	-175.4	0	108.8	C981 K982 Q988	C981-K990 CarbonylContact C-O 3.56Å; C981-K990 WeakPolarHBondContact CA-O 3.48Å; K982-K990 PolarHBondContact N-O 3.19Å; K982-K990 PolarHBondContact O-N 3.37Å; Q988-K990 HydrophobicContact CG-CG 4.22Å
991	C	95.5	Very high	90.9	Very high	42 Å²	42	89.8 Å²	89.8	28%	0.284	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146.6	174.3	-58.6	0	0	0	0	110.4	R978 C981	R978-C991 HydrophobicContact CB-CB 3.89Å; R978-C991 HydrophobicContact CG-CB 4.37Å; C981-C991 HydrophobicContact CB-CB 4.11Å; C981-C991 WeakPolarHBondContact CB-SG 3.35Å; C981-C991 WeakPolarHBondContact SG-CB 3.36Å; C981-C991 CovalentContact SG-SG 2.04Å; C981-C991 PolarHBondContact SG-SG 2.86Å
992	E	94.4	Very high	91	Very high	86 Å²	86	88.1 Å²	88.1	40%	0.402	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	160.6	162.5	-65.7	152	-142.2	0	0	108.3	R978 C979 N980 K982	R978-E992 WeakPolarHBondContact CA-O 3.47Å; C979-E992 PolarHBondContact N-O 2.96Å; C979-E992 PolarHBondContact O-N 3.08Å; N980-E992 HydrophobicContact CB-CB 4.23Å; N980-E992 HydrophobicContact CB-CG 4.32Å; N980-E992 WeakPolarHBondContact CB-OE2 3.43Å; N980-E992 PolarHBondContact ND2-OE2 3.16Å; K982-E992 IonicContact NZ-OE1 2.96Å; K982-E992 PolarHBondContact NZ-OE1 2.8Å
993	V	94.9	Very high	91.2	Very high	106 Å²	106	82.7 Å²	82.7	64%	0.642	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.1	173.1	179.7	0	0	0	0	108.2	N976	N976-V993 HydrophobicContact CB-CG1 4.22Å
994	C	95	Very high	91.3	Very high	36 Å²	36	81.5 Å²	81.5	24%	0.243	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130	174.8	-71.2	0	0	0	0	109.8	E977 C979	E977-C994 PolarHBondContact N-O 3.32Å; E977-C994 PolarHBondContact O-N 3.5Å; C979-C994 HydrophobicContact CB-CB 3.67Å; C979-C994 WeakPolarHBondContact CB-SG 3.23Å; C979-C994 WeakPolarHBondContact SG-CB 3.42Å; C979-C994 PolarHBondContact SG-N 3.5Å; C979-C994 CovalentContact SG-SG 2.03Å; C979-C994 PolarHBondContact SG-SG 3Å
995	T	94.5	Very high	91.5	Very high	102 Å²	102	81.1 Å²	81.1	63%	0.626	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	132.2	158.7	44.7	0	0	0	0	108.9	I974 N976	I974-T995 HydrophobicContact CG2-CG2 3.98Å; N976-T995 WeakPolarHBondContact OD1-CG2 3.49Å
996	K	91.8	Very high	91.8	Very high	94 Å²	94	73.2 Å²	73.2	41%	0.409	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.9	169.2	-77.6	-174.9	172.4	172.4	0	110.2	V975 E977	V975-K996 PolarHBondContact N-O 3.32Å; V975-K996 PolarHBondContact O-N 3.47Å; E977-K996 HydrophobicContact CG-CD 4.22Å; E977-K996 WeakPolarHBondContact OE1-CE 3.33Å; E977-K996 IonicContact OE1-NZ 3.33Å; E977-K996 PolarHBondContact OE1-NZ 2.88Å
997	V	92.5	Very high	92.5	Very high	97 Å²	97	74 Å²	74	59%	0.588	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.9	170.7	-172	0	0	0	0	108.2	N972 I973 I974	N972-V997 HydrophobicContact CB-CG1 3.88Å; I973-V997 WeakPolarHBondContact O-CA 3.49Å; I974-V997 HydrophobicContact CG1-CG2 4.49Å
998	L	91.3	Very high	93.6	Very high	84 Å²	84	72.2 Å²	72.2	44%	0.44	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.8	176	-56.4	-179.9	0	0	0	110	N972 I973 V975 E1000	N972-L998 WeakPolarHBondContact CA-O 3.31Å; I973-L998 HydrophobicContact CG1-CB 4.11Å; I973-L998 WeakPolarHBondContact CG1-O 3.33Å; I973-L998 PolarHBondContact N-O 2.88Å; I973-L998 PolarHBondContact O-N 2.81Å; V975-L998 HydrophobicContact CB-CD1 4.15Å; V975-L998 HydrophobicContact CG2-CD1 3.93Å; V975-L998 HydrophobicContact CG2-CG 4.42Å; L998-E1000 PolarHBondContact O-N 3.13Å
999	E	93	Very high	93.9	Very high	119 Å²	119	70.7 Å²	70.7	56%	0.556	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.2	166.9	-70.9	-171.6	-163.3	0	0	109.4	T970 H1001	T970-E999 HydrophobicContact CG2-CB 3.96Å; T970-E999 HydrophobicContact CG2-CG 4.05Å; E999-H1001 IonicContact OE2-CE1 2.7Å; E999-H1001 PolarHBondContact OE2-CE1 3.33Å
1000	E	94.2	Very high	94	Very high	45 Å²	45	70.7 Å²	70.7	21%	0.21	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.8	165.9	-173.7	178.8	95.3	0	0	109.5	V948 T970 K971 I973 L998 T1002	V948-E1000 HydrophobicContact CG1-CG 3.86Å; V948-E1000 HydrophobicContact CG2-CG 4.03Å; T970-E1000 WeakPolarHBondContact CA-O 3.33Å; K971-E1000 WeakPolarHBondContact CE-OE1 3.28Å; K971-E1000 HydrophobicContact CG-CB 4.19Å; K971-E1000 PolarHBondContact N-O 2.8Å; K971-E1000 IonicContact NZ-OE1 3.53Å; K971-E1000 PolarHBondContact NZ-OE1 2.98Å; K971-E1000 PolarHBondContact O-N 2.91Å; I973-E1000 HydrophobicContact CD1-CB 4Å; I973-E1000 HydrophobicContact CG1-CB 4.25Å; L998-E1000 PolarHBondContact O-N 3.13Å; E1000-T1002 HydrophobicContact CG-CG2 4.27Å; E1000-T1002 WeakPolarHBondContact OE1-CG2 3.5Å
1001	H	95.8	Very high	94.2	Very high	17 Å²	17	67.8 Å²	67.8	8%	0.079	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.4	172.2	-46.7	-60.8	0	0	0	110.2	V948 C949 K951 Y968 N969 T970 E999	V948-H1001 CarbonylContact C-O 3.55Å; V948-H1001 WeakPolarHBondContact CA-O 3.44Å; C949-H1001 PolarHBondContact N-O 2.83Å; K951-H1001 VanDerWaalsContact CB-CD2 3.42Å; K951-H1001 WeakPolarHBondContact CB-CD2 3.21Å; K951-H1001 VanDerWaalsContact CB-NE2 3.3Å; K951-H1001 WeakPolarHBondContact CB-NE2 3.18Å; Y968-H1001 HydrophobicContact CD2-CB 3.77Å; Y968-H1001 AromaticContact CD2-CG 3.98Å; Y968-H1001 AromaticContact CD2-ND1 3.89Å; Y968-H1001 HydrophobicContact CE2-CB 4.38Å; Y968-H1001 AromaticContact CE2-ND1 3.76Å; Y968-H1001 HydrophobicContact CG-CB 4.3Å; N969-H1001 CarbonylContact O-C 3.58Å; N969-H1001 VanDerWaalsContact O-CA 3.23Å; N969-H1001 WeakPolarHBondContact O-CA 3.31Å; T970-H1001 PolarHBondContact OG1-ND1 3.36Å; E999-H1001 IonicContact OE2-CE1 2.7Å; E999-H1001 PolarHBondContact OE2-CE1 3.33Å
1002	T	95.6	Very high	94.1	Very high	21 Å²	21	69.8 Å²	69.8	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.4	178.8	49.8	0	0	0	0	111.6	R947 V948 Y968 N969 E1000	R947-T1002 CarbonylContact O-C 3.47Å; R947-T1002 WeakPolarHBondContact O-CA 3.14Å; V948-T1002 HydrophobicContact CG2-CG2 4.16Å; Y968-T1002 CarbonylContact C-O 3.47Å; Y968-T1002 WeakPolarHBondContact CA-O 3.33Å; Y968-T1002 VanDerWaalsContact CB-O 3.32Å; Y968-T1002 WeakPolarHBondContact CB-O 3.27Å; N969-T1002 PolarHBondContact N-O 2.69Å; N969-T1002 PolarHBondContact O-N 3.34Å; E1000-T1002 HydrophobicContact CG-CG2 4.27Å; E1000-T1002 WeakPolarHBondContact OE1-CG2 3.5Å
1003	C	95.9	Very high	94	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.8	-175	-68.8	0	0	0	0	113.7	T944 G946 R947 C963	T944-C1003 WeakPolarHBondContact O-CB 3.39Å; G946-C1003 PolarHBondContact N-O 2.88Å; R947-C1003 PolarHBondContact O-N 2.82Å; C963-C1003 WeakPolarHBondContact CA-SG 3.33Å; C963-C1003 HydrophobicContact CB-CB 3.51Å; C963-C1003 WeakPolarHBondContact CB-SG 3.44Å; C963-C1003 PolarHBondContact N-SG 2.72Å; C963-C1003 VanDerWaalsContact N-SG 3.41Å; C963-C1003 WeakPolarHBondContact SG-CA 3.46Å; C963-C1003 WeakPolarHBondContact SG-CB 3.2Å; C963-C1003 CovalentContact SG-SG 2.04Å; C963-C1003 PolarHBondContact SG-SG 2.69Å
1004	K	94	Very high	94	Very high	100 Å²	100	65 Å²	65	44%	0.435	34%	0.338	S	S	.	.			trans	-79.7	0	160.2	-65.1	169.8	176.4	166.8	0	110.5	H945 R966 G967 Y968 N969	H945-K1004 PolarHBondContact CD2-O 3.42Å; R966-K1004 HydrophobicContact CB-CB 4.02Å; R966-K1004 VanDerWaalsContact CD-O 3.28Å; R966-K1004 WeakPolarHBondContact CD-O 3.21Å; R966-K1004 WeakPolarHBondContact CD-OXT 3.35Å; R966-K1004 PolarHBondContact NH1-OXT 3.38Å; G967-K1004 PolarHBondContact O-N 3.42Å; G967-K1004 VanDerWaalsContact O-N 3.16Å; Y968-K1004 VanDerWaalsContact O-CE 3.26Å; Y968-K1004 WeakPolarHBondContact O-CE 3.46Å; Y968-K1004 PolarHBondContact O-NZ 2.85Å; N969-K1004 WeakPolarHBondContact OD1-CE 3.26Å

Retrieved 1,004 of 1,004 residues in 234.4 ms (Link to these results)

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