A0A3Q0KBN8_SCHMA Loading...

Putative t-box transcription factor tbx20

AlphaFold DB , UniProt , Accession A0A3Q0KBN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,203 aa.

						>A0A3Q0KBN8_SCHMA|A0A3Q0KBN8
MYPLSISSYGSSSISKSPPYTSTSFIEDCSTEKNDDKYSTALEDIEEERQQQQQQGLLRKSLQNHISPSSINSTTSSLTCKIITDDCDNKDKLIHDMNNPNSFLKLSRKASAFSIESIISKKHKQITNYNGIINYEVMHDDDDHPPHHQQQQQQQQQQHDVKSYDQDLSTSQISLSIKYTDDQKSIINHNRLENQSLSYLSSPISNDSSKSPHHSLQSSINQKSYMNENEIKEETEKKSNLNEEFPPPNELNTTISDFDDVADDDDDDGEVLNNIHCLSSVTPLNLSIDNKLINRNNHDNCTFDLIKPTVNLSFPFQYSGYYDNCHPITNINMHKSESHINDNSSNTVTTVTTTNRVYNNDYPIKENDGINNRNTQQFPTRLHIMSNSNNNNSNNDNGKKSKVNQQNDMESNSTECLCNATTTTTTTITNSSVKSRRSKCPKSLKYTQLNCLNQPSNTSRSEESHLFNTQFTMKWSDDGKQQRTQKLKMLGNDKLAQIKCRLETKELWEKFNELGTEMIITKSGRRMFPVIRASFSGLESEAKYLVLMDIIPVDCKRYRYAYHRSSWLVAGKADPELRLRHYVHPDSPFTGEQLMRQTVSFEKLKLTNNVLDRQGYIILNSMHKYQPRVHLIQLATNYNDNNNNNQFIMNSLLTSTSLPKSLDILPNDNIKTFTFPETIFIAVTAYQNQLITKLKIDCNPFAKGFRDSSRLTEFERESMETLLAQQAVGGSMVTGIPYIFSLQPPTSSTQVAGLNGNHQCKQMSKKDILHDLDHYRSINNDSNLCKISTGSMFTPRITTKTSILPVPTMSNLLPSSIQHPSKSISSHYTHQEAQLIPTINEQENQNHSFQHSLDPIRENLLSSQHNENQLSDSNKLLSLWRQKFIENTFTTYFNQILQEYNMNNLDNQNGESFKPSTSISNSYSIQPSSSTSSTSTLSSSSSSCTSSLSSPQISSSLLYNLYPLKLNHTHSNLNLLQDHYNLLKINEDNNHRNDPPYSINHLLINQLTNALHLNGTSLDSLNSDKNQCDLLKSTDIDNYSAVTTTTTTTTTNNNDNNSNNNNSSNNNNKELTLQSTPFITDWTKWTNVNLLNTLNQIWKSQWNTMNIEEYNINENNPLYSKDLKELTQYNNHISDQVTIDTTNYQQSMIWENLKKSKLINSDNNWINKNHHNNNDPLINNLCNSNETEEVIKTLPTDSITSIT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	33.2	Very low	226 Å²	226	142.5 Å²	142.5	100%	1.113	79%	0.794	S	S	*	*				0	116.6	0	-71.3	171.3	156.5	0	0	108.7
2	Y	31.7	Very low	33.2	Very low	214 Å²	214	139.3 Å²	139.3	84%	0.839	79%	0.788	S	S	*	*			cis	-159.3	129.3	-23.6	-109.1	-59.9	0	0	0	108.4
3	P	36.1	Very low	33	Very low	112 Å²	112	136.5 Å²	136.5	73%	0.727	78%	0.783	S	S	*	*			trans	-114.3	156.2	176.8	39.3	-30.9	0	0	0	114.4
4	L	33.3	Very low	33	Very low	161 Å²	161	138.8 Å²	138.8	84%	0.843	79%	0.789	S	S	*	*			trans	46.8	153.3	148	-78.3	171.3	0	0	0	123.4
5	S	29.6	Very low	32.7	Very low	108 Å²	108	136 Å²	136	76%	0.755	78%	0.781	S	S	*	*			trans	75.3	157.1	156.5	77.7	0	0	0	0	118.3
6	I	35.6	Very low	32.7	Very low	152 Å²	152	140.4 Å²	140.4	78%	0.779	79%	0.789	S	S	*	*			cis	-171.3	174.8	-43	-117.8	163.3	0	0	0	108.2
7	S	31.6	Very low	32.7	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	79%	0.785	S	S	*	*			trans	74.4	155.5	159.2	73.5	0	0	0	0	119.2
8	S	32.6	Very low	33.2	Very low	84 Å²	84	137.1 Å²	137.1	59%	0.587	78%	0.783	S	S	*	*			cis	-172.2	-159.4	-22.2	57.7	0	0	0	0	111.3
9	Y	32.5	Very low	33.5	Very low	223 Å²	223	135.8 Å²	135.8	88%	0.875	78%	0.781	S	S	*	*			trans	84.4	128.2	172.8	-56.5	-77	0	0	0	117.7
10	G	34.9	Very low	33.4	Very low	61 Å²	61	139.9 Å²	139.9	63%	0.629	78%	0.784	S	S	*	*			cis	161.7	166	-12	0	0	0	0	0	114.6
11	S	32.6	Very low	33.3	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	78%	0.781	S	S	*	*			trans	59.1	148.2	158.6	38	0	0	0	0	119.6
12	S	34	Very low	33	Very low	104 Å²	104	132.8 Å²	132.8	73%	0.727	76%	0.761	S	S	*	*			cis	-167.2	143.9	-7.9	46.1	0	0	0	0	111.9
13	S	30.6	Very low	32.8	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	76%	0.758	S	S	*	*			trans	15	134.5	151.2	61.4	0	0	0	0	122.1
14	I	32	Very low	32.4	Very low	169 Å²	169	127.7 Å²	127.7	87%	0.867	76%	0.755	S	S	*	*				-169.3	162	109.3	-99.1	162	0	0	0	110.9
15	S	28.4	Very low	32.2	Very low	97 Å²	97	129 Å²	129	68%	0.678	75%	0.754	S	S	*	*			trans	-97.5	156.9	-164.9	53.7	0	0	0	0	116
16	K	33.4	Very low	32.2	Very low	207 Å²	207	129.9 Å²	129.9	90%	0.9	75%	0.749	S	S	*	*				-172.5	165	123.7	-99.7	159.1	-173.7	179.1	0	113.8
17	S	31.9	Very low	31.9	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	75%	0.75	S	S	*	*			trans	-80.1	159.3	-162.4	47.5	0	0	0	0	117.1
18	P	43.1	Very low	31.9	Very low	116 Å²	116	132 Å²	132	75%	0.753	75%	0.749	S	S	*	*			trans	-79.9	172.8	167.4	37.8	-37.8	0	0	0	112.3
19	P	38.5	Very low	31.8	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	75%	0.751	S	S	*	*				-153.8	153.7	102.7	39.3	-21.4	0	0	0	118.3
20	Y	32.1	Very low	31.7	Very low	217 Å²	217	127.4 Å²	127.4	85%	0.851	75%	0.747	S	S	*	*			trans	41.5	157.1	139.2	-76.9	-84.7	0	0	0	126.7
21	T	29.7	Very low	31.5	Very low	118 Å²	118	130 Å²	130	72%	0.724	75%	0.752	S	S	*	*			trans	82.3	93	149.6	33.1	0	0	0	0	122.7
22	S	27.9	Very low	31.5	Very low	99 Å²	99	132.8 Å²	132.8	69%	0.692	75%	0.751	S	S	*	*				68	154.2	118.3	61.9	0	0	0	0	124.4
23	T	28.2	Very low	31.4	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	76%	0.756	S	S	*	*			trans	74.4	93.2	157.5	37.1	0	0	0	0	121.2
24	S	28.3	Very low	31.5	Very low	96 Å²	96	139.3 Å²	139.3	67%	0.671	76%	0.761	S	S	*	*				80.1	130.1	116.7	69.5	0	0	0	0	123.6
25	F	27.6	Very low	31.6	Very low	187 Å²	187	138 Å²	138	82%	0.82	76%	0.756	S	S	*	*			trans	79.9	125.2	149.2	-74	-59.1	0	0	0	122.4
26	I	29.8	Very low	32.3	Very low	127 Å²	127	140.4 Å²	140.4	65%	0.651	76%	0.761	S	S	*	*			trans	81.5	106.3	138.4	-69.1	167.8	0	0	0	118.8
27	E	31	Very low	32.7	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.794	76%	0.757	S	S	*	*			trans	59.8	145.6	134	-61.7	163.8	-176.6	0	0	119.5
28	D	31.8	Very low	32.9	Very low	133 Å²	133	144.2 Å²	144.2	71%	0.711	76%	0.76	S	S	*	*			cis	-152.8	164	15.8	-151.2	-7	0	0	0	115.2
29	C	29.6	Very low	32.8	Very low	95 Å²	95	142.5 Å²	142.5	64%	0.642	75%	0.751	S	S	*	*			trans	56.6	113.4	149.9	-83.4	0	0	0	0	123.5
30	S	30.1	Very low	33	Very low	114 Å²	114	141 Å²	141	80%	0.797	74%	0.74	S	S	*	*			trans	76.4	152.1	132.7	81.6	0	0	0	0	119.2
31	T	31.8	Very low	33.5	Very low	117 Å²	117	133.2 Å²	133.2	72%	0.718	72%	0.72	S	S	*	*			cis	-134.8	150	8.1	34.9	0	0	0	0	114.4
32	E	31.2	Very low	34.2	Very low	179 Å²	179	133.1 Å²	133.1	84%	0.836	71%	0.714	S	S	*	*			trans	28.8	123.2	141.5	-55.9	179	139.8	0	0	122.8
33	K	33.5	Very low	35.3	Very low	189 Å²	189	134.5 Å²	134.5	82%	0.822	71%	0.71	S	S	*	*				-168	137.7	124.3	-107.3	163.8	-174.3	176.8	0	111.4
34	N	31.3	Very low	36.3	Very low	155 Å²	155	134 Å²	134	83%	0.829	70%	0.702	S	S	*	*			trans	-155.6	41.9	-173.6	-119.2	-23.7	0	0	0	113.6
35	D	35.1	Very low	37.5	Very low	142 Å²	142	134 Å²	134	76%	0.759	69%	0.694	S	S	*	*			trans	-107.6	41.2	-166.3	-61.8	-65.9	0	0	0	115.1
36	D	41.5	Very low	39	Very low	147 Å²	147	129.1 Å²	129.1	79%	0.786	67%	0.674	S	S	*	*	S	Bend	trans	-124.9	-8.5	-178.5	-86.4	-56	0	0	0	115.5
37	K	42.3	Very low	40.4	Very low	187 Å²	187	129 Å²	129	81%	0.813	67%	0.67	S	S	*	*	S	Bend	trans	-101.7	-6.9	-173.5	-86	-176.4	175.5	175.9	0	116.7
38	Y	36.2	Very low	41.5	Very low	204 Å²	204	125.1 Å²	125.1	80%	0.8	65%	0.652	S	S	*	*	S	Bend	trans	-103.6	-16.3	-178.7	-80.4	-79	0	0	0	114.7
39	S	40.5	Very low	42.7	Very low	79 Å²	79	125.3 Å²	125.3	55%	0.552	64%	0.643	S	S	*	*	S	Bend	trans	-74.3	-48.4	-180	-159	0	0	0	0	112.2	A41 L42 E43	S39-A41 VanDerWaalsContact C-N 3.29Å; S39-A41 PolarHBondContact O-N 3.39Å; S39-L42 PolarHBondContact O-N 3.17Å; S39-E43 PolarHBondContact O-N 2.81Å
40	T	44.1	Very low	43.9	Very low	83 Å²	83	125.9 Å²	125.9	51%	0.509	64%	0.637	S	S	.	*	H	α-helix	trans	-59.5	-39.3	-177.3	-32.7	0	0	0	0	112.3	L42 E43 D44	T40-L42 PolarHBondContact O-N 3.33Å; T40-E43 PolarHBondContact O-N 3.49Å; T40-D44 PolarHBondContact O-N 2.9Å
41	A	42.1	Very low	44.9	Very low	52 Å²	52	125.5 Å²	125.5	43%	0.43	62%	0.622	S	S	.	*	H	α-helix	trans	-70.2	-13.7	179.4	0	0	0	0	0	114.1	S39 I45	S39-A41 VanDerWaalsContact C-N 3.29Å; S39-A41 PolarHBondContact O-N 3.39Å; A41-I45 WeakPolarHBondContact O-CD1 3.39Å; A41-I45 VanDerWaalsContact O-CG1 3.31Å; A41-I45 WeakPolarHBondContact O-CG1 3.47Å
42	L	45	Very low	45.6	Very low	116 Å²	116	125.2 Å²	125.2	61%	0.607	61%	0.613	S	S	*	*	H	α-helix	trans	-90.4	-36.7	172.9	-88.4	163.2	0	0	0	112	S39 T40 I45 E46	S39-L42 PolarHBondContact O-N 3.17Å; T40-L42 PolarHBondContact O-N 3.33Å; L42-I45 PolarHBondContact O-N 3.38Å; L42-E46 PolarHBondContact O-N 3.11Å; L42-E46 VanDerWaalsContact O-N 3.13Å
43	E	50.2	Low	46.3	Very low	128 Å²	128	122.9 Å²	122.9	60%	0.598	60%	0.602	S	S	*	*	H	α-helix	trans	-65.4	-43.6	177.2	-66.6	179	132.6	0	0	111.4	S39 T40 I45 E46 E47	S39-E43 PolarHBondContact O-N 2.81Å; T40-E43 PolarHBondContact O-N 3.49Å; E43-I45 VanDerWaalsContact C-N 3.26Å; E43-I45 PolarHBondContact O-N 3.26Å; E43-E46 PolarHBondContact O-N 2.68Å; E43-E47 PolarHBondContact O-N 3.35Å
44	D	49.2	Very low	47	Very low	113 Å²	113	119.9 Å²	119.9	60%	0.604	59%	0.591	S	S	*	*	H	α-helix	trans	-55.5	-38.7	173.9	-77.2	-25	0	0	0	112.6	T40 E48	T40-D44 PolarHBondContact O-N 2.9Å; D44-E48 PolarHBondContact O-N 2.69Å
45	I	53.6	Low	47.6	Very low	96 Å²	96	118 Å²	118	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-73.6	-40.1	-178.6	-68.7	174.3	0	0	0	111.2	A41 L42 E43 E48 R49	A41-I45 WeakPolarHBondContact O-CD1 3.39Å; A41-I45 VanDerWaalsContact O-CG1 3.31Å; A41-I45 WeakPolarHBondContact O-CG1 3.47Å; L42-I45 PolarHBondContact O-N 3.38Å; E43-I45 VanDerWaalsContact C-N 3.26Å; E43-I45 PolarHBondContact O-N 3.26Å; I45-E48 PolarHBondContact O-N 2.93Å; I45-R49 WeakPolarHBondContact O-CG 3.34Å; I45-R49 PolarHBondContact O-N 3.42Å
46	E	59.7	Low	47.8	Very low	86 Å²	86	112.9 Å²	112.9	40%	0.402	56%	0.558	S	S	.	*	H	α-helix	trans	-74.7	-30.3	179.7	-147.5	64.3	-130.5	0	0	111.7	L42 E43 R49 Q50	L42-E46 PolarHBondContact O-N 3.11Å; L42-E46 VanDerWaalsContact O-N 3.13Å; E43-E46 PolarHBondContact O-N 2.68Å; E46-R49 PolarHBondContact O-N 2.87Å; E46-R49 IonicContact OE1-CZ 3.44Å; E46-R49 IonicContact OE1-NE 2.87Å; E46-R49 IonicContact OE1-NH1 3.77Å; E46-R49 PolarHBondContact OE1-NH1 3.09Å; E46-R49 IonicContact OE2-NH1 3.41Å; E46-Q50 WeakPolarHBondContact O-CG 3.25Å; E46-Q50 PolarHBondContact O-N 3.35Å
47	E	58.2	Low	47.7	Very low	123 Å²	123	112 Å²	112	58%	0.575	55%	0.552	S	S	*	*	H	α-helix	trans	-64.8	-44.5	166	-78.1	-142.1	164.1	0	0	112.4	E43 R49 Q50 Q51	E43-E47 PolarHBondContact O-N 3.35Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 2.99Å; E47-Q50 PolarHBondContact O-N 3.22Å; E47-Q50 VanDerWaalsContact O-N 3.15Å; E47-Q51 WeakPolarHBondContact O-CG 3.29Å; E47-Q51 PolarHBondContact O-N 3.46Å
48	E	54.7	Low	47.4	Very low	89 Å²	89	109.6 Å²	109.6	42%	0.416	55%	0.547	S	S	.	.	H	α-helix	trans	-60.7	-38.4	177.2	-151.3	-164.7	163.1	0	0	110.6	D44 I45 Q52 R710	D44-E48 PolarHBondContact O-N 2.69Å; I45-E48 PolarHBondContact O-N 2.93Å; E48-Q52 VanDerWaalsContact CD-NE2 3.33Å; E48-Q52 VanDerWaalsContact O-CB 3.3Å; E48-Q52 WeakPolarHBondContact O-CB 3.45Å; E48-Q52 WeakPolarHBondContact O-CG 3.42Å; E48-Q52 PolarHBondContact O-N 3.32Å; E48-Q52 PolarHBondContact OE1-NE2 3.21Å; E48-R710 IonicContact OE1-NH2 3.9Å; E48-R710 PolarHBondContact OE1-NH2 3.02Å; E48-R710 IonicContact OE2-NH2 2.68Å
49	R	57.7	Low	47.3	Very low	137 Å²	137	110.7 Å²	110.7	52%	0.517	55%	0.55	S	S	.	*	H	α-helix	trans	-63.2	-44.2	173.4	-71.2	-178	79.6	-162.6	11.2	112.8	I45 E46 E47 Q52 Q53	I45-R49 WeakPolarHBondContact O-CG 3.34Å; I45-R49 PolarHBondContact O-N 3.42Å; E46-R49 PolarHBondContact O-N 2.87Å; E46-R49 IonicContact OE1-CZ 3.44Å; E46-R49 IonicContact OE1-NE 2.87Å; E46-R49 IonicContact OE1-NH1 3.77Å; E46-R49 PolarHBondContact OE1-NH1 3.09Å; E46-R49 IonicContact OE2-NH1 3.41Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 2.99Å; R49-Q52 PolarHBondContact O-N 2.69Å; R49-Q53 WeakPolarHBondContact O-CG 3.26Å; R49-Q53 PolarHBondContact O-N 3.09Å
50	Q	53.3	Low	47	Very low	108 Å²	108	115.9 Å²	115.9	51%	0.505	56%	0.563	S	S	.	*	H	α-helix	trans	-67.1	-41.7	179	-73.5	-176.5	58.2	0	0	112.1	E46 E47 Q52 Q53 Q54	E46-Q50 WeakPolarHBondContact O-CG 3.25Å; E46-Q50 PolarHBondContact O-N 3.35Å; E47-Q50 PolarHBondContact O-N 3.22Å; E47-Q50 VanDerWaalsContact O-N 3.15Å; Q50-Q52 PolarHBondContact O-N 2.92Å; Q50-Q53 PolarHBondContact O-N 3.09Å; Q50-Q54 WeakPolarHBondContact O-CG 3.23Å; Q50-Q54 PolarHBondContact O-N 3.34Å
51	Q	51.2	Low	46.6	Very low	105 Å²	105	116.8 Å²	116.8	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-38.5	174.4	-67.8	-169	35.6	0	0	112	E47 Q54 Q55	E47-Q51 WeakPolarHBondContact O-CG 3.29Å; E47-Q51 PolarHBondContact O-N 3.46Å; Q51-Q54 PolarHBondContact O-N 2.86Å; Q51-Q55 WeakPolarHBondContact O-CB 3.14Å; Q51-Q55 WeakPolarHBondContact O-CG 3.32Å; Q51-Q55 PolarHBondContact O-N 3.18Å
52	Q	47.9	Very low	46	Very low	112 Å²	112	121.9 Å²	121.9	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-66.9	-35.3	174.4	-73.4	179	28	0	0	112.4	E48 R49 Q50 G56	E48-Q52 VanDerWaalsContact CD-NE2 3.33Å; E48-Q52 VanDerWaalsContact O-CB 3.3Å; E48-Q52 WeakPolarHBondContact O-CB 3.45Å; E48-Q52 WeakPolarHBondContact O-CG 3.42Å; E48-Q52 PolarHBondContact O-N 3.32Å; E48-Q52 PolarHBondContact OE1-NE2 3.21Å; R49-Q52 PolarHBondContact O-N 2.69Å; Q50-Q52 PolarHBondContact O-N 2.92Å; Q52-G56 PolarHBondContact O-N 2.63Å
53	Q	46	Very low	45.2	Very low	130 Å²	130	124.2 Å²	124.2	61%	0.607	60%	0.599	S	S	*	*	H	α-helix	trans	-66.1	-45.3	172	-76.6	-171.1	-0.7	0	0	112.4	R49 Q50 G56 L57	R49-Q53 WeakPolarHBondContact O-CG 3.26Å; R49-Q53 PolarHBondContact O-N 3.09Å; Q50-Q53 PolarHBondContact O-N 3.09Å; Q53-G56 PolarHBondContact O-N 3.23Å; Q53-L57 WeakPolarHBondContact O-CG 3.45Å; Q53-L57 PolarHBondContact O-N 2.93Å
54	Q	46.8	Very low	44.3	Very low	126 Å²	126	124.4 Å²	124.4	59%	0.589	60%	0.604	S	S	*	*	H	α-helix	trans	-65	-42.2	178.5	-68	-176.5	26.8	0	0	112.2	Q50 Q51 G56 L57 L58	Q50-Q54 WeakPolarHBondContact O-CG 3.23Å; Q50-Q54 PolarHBondContact O-N 3.34Å; Q51-Q54 PolarHBondContact O-N 2.86Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 2.99Å; Q54-L57 PolarHBondContact O-N 2.91Å; Q54-L58 PolarHBondContact O-N 3.49Å; Q54-L58 VanDerWaalsContact O-N 3.1Å
55	Q	45.2	Very low	43.6	Very low	116 Å²	116	127.9 Å²	127.9	54%	0.542	62%	0.616	S	S	.	*	H	α-helix	trans	-67.8	-30.3	173.4	-68.7	-179.6	51.7	0	0	112.4	Q51 R59	Q51-Q55 WeakPolarHBondContact O-CB 3.14Å; Q51-Q55 WeakPolarHBondContact O-CG 3.32Å; Q51-Q55 PolarHBondContact O-N 3.18Å; Q55-R59 WeakPolarHBondContact O-CB 3.45Å; Q55-R59 PolarHBondContact O-N 3.29Å; Q55-R59 VanDerWaalsContact O-N 3.16Å
56	G	39.1	Very low	42.4	Very low	34 Å²	34	131 Å²	131	35%	0.351	63%	0.633	S	S	.	*	H	α-helix	trans	-69.6	-31.4	173.6	0	0	0	0	0	114.2	Q52 Q53 Q54	Q52-G56 PolarHBondContact O-N 2.63Å; Q53-G56 PolarHBondContact O-N 3.23Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 2.99Å
57	L	39.4	Very low	41	Very low	127 Å²	127	132.5 Å²	132.5	67%	0.665	65%	0.653	S	S	*	*	H	α-helix	trans	-76.8	-43.9	174.5	-72.2	167.2	0	0	0	111.6	Q53 Q54 R59 K60	Q53-L57 WeakPolarHBondContact O-CG 3.45Å; Q53-L57 PolarHBondContact O-N 2.93Å; Q54-L57 PolarHBondContact O-N 2.91Å; L57-R59 PolarHBondContact O-N 3.48Å; L57-K60 PolarHBondContact O-N 2.87Å
58	L	36.5	Very low	39.7	Very low	137 Å²	137	132.1 Å²	132.1	72%	0.717	66%	0.661	S	S	*	*	H	α-helix	trans	-62.7	-28.7	175.5	-76.9	165.6	0	0	0	113.1	Q54 K60	Q54-L58 PolarHBondContact O-N 3.49Å; Q54-L58 VanDerWaalsContact O-N 3.1Å; L58-K60 VanDerWaalsContact C-N 3.34Å
59	R	33.3	Very low	38.6	Very low	228 Å²	228	133.6 Å²	133.6	86%	0.86	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-2.3	173.7	-89.3	-178.8	161.7	175.8	-5.9	115.6	Q55 L57	Q55-R59 WeakPolarHBondContact O-CB 3.45Å; Q55-R59 PolarHBondContact O-N 3.29Å; Q55-R59 VanDerWaalsContact O-N 3.16Å; L57-R59 PolarHBondContact O-N 3.48Å
60	K	34.9	Very low	37.3	Very low	188 Å²	188	131.5 Å²	131.5	82%	0.817	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	7.6	177.3	-76.6	-177.1	175.5	-178.1	0	114.6	L57 L58	L57-K60 PolarHBondContact O-N 2.87Å; L58-K60 VanDerWaalsContact C-N 3.34Å
61	S	34.4	Very low	36.1	Very low	101 Å²	101	133.3 Å²	133.3	71%	0.706	70%	0.699	S	S	*	*	S	Bend	trans	-108.9	6.7	-175.7	-154.9	0	0	0	0	115
62	L	30.2	Very low	34.9	Very low	159 Å²	159	135 Å²	135	83%	0.832	71%	0.712	S	S	*	*	S	Bend	trans	-138.6	55.1	-172.8	-87.2	169.2	0	0	0	113.2
63	Q	28.2	Very low	33.9	Very low	165 Å²	165	134.2 Å²	134.2	77%	0.771	72%	0.718	S	S	*	*			trans	-152.5	143.3	169.2	-164.9	67.9	34.1	0	0	109.5
64	N	31.6	Very low	32.9	Very low	132 Å²	132	133.9 Å²	133.9	71%	0.706	73%	0.725	S	S	*	*			trans	72.3	123.1	-174.6	-42.4	-26.4	0	0	0	112.9
65	H	33.3	Very low	31.9	Very low	186 Å²	186	133.7 Å²	133.7	86%	0.861	73%	0.733	S	S	*	*			cis	-139.5	169.1	16.8	-86.1	-92.4	0	0	0	113
66	I	29.9	Very low	31	Very low	163 Å²	163	133.1 Å²	133.1	84%	0.836	74%	0.742	S	S	*	*			trans	-127.7	132.5	175.4	-63.4	168.6	0	0	0	109.2
67	S	28.6	Very low	30.4	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	76%	0.761	S	S	*	*			trans	-179.5	162.8	144.3	-82.4	0	0	0	0	112.3
68	P	31.8	Very low	29.8	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	77%	0.765	S	S	*	*			trans	-129.2	176.7	-158.7	42	-26.5	0	0	0	117.8
69	S	31.4	Very low	29.2	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	76%	0.764	S	S	*	*			trans	77.6	155.8	168.6	88.5	0	0	0	0	116.2
70	S	30.5	Very low	28.8	Very low	94 Å²	94	131 Å²	131	66%	0.657	76%	0.761	S	S	*	*			cis	-152.6	160.8	0.8	79.6	0	0	0	0	113.6
71	I	28	Very low	28.4	Very low	145 Å²	145	131 Å²	131	74%	0.744	76%	0.76	S	S	*	*			trans	64.3	132	142.9	-69.4	168	0	0	0	122.5
72	N	26.6	Very low	28.1	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	76%	0.759	S	S	*	*			trans	64.6	105.1	154.1	-72.8	-1.2	0	0	0	124.6
73	S	26.1	Very low	27.8	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	75%	0.754	S	S	*	*				71.5	125.5	118.4	71.3	0	0	0	0	123.3
74	T	25.1	Very low	27.7	Very low	124 Å²	124	128.7 Å²	128.7	76%	0.761	75%	0.748	S	S	*	*			trans	75.6	155.6	142.3	47.1	0	0	0	0	121
75	T	26.2	Very low	27.7	Very low	122 Å²	122	128.9 Å²	128.9	75%	0.748	75%	0.748	S	S	*	*			trans	58.2	89.7	166.6	46.1	0	0	0	0	118.7
76	S	26.2	Very low	27.5	Very low	104 Å²	104	127 Å²	127	73%	0.727	75%	0.745	S	S	*	*				46.9	122.6	120.9	62.8	0	0	0	0	121.4
77	S	26.1	Very low	27.4	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	74%	0.741	S	S	*	*			trans	78	149.4	142.2	-150.3	0	0	0	0	118.9
78	L	26.9	Very low	27.6	Very low	143 Å²	143	125.6 Å²	125.6	75%	0.749	74%	0.737	S	S	*	*			trans	58.7	98.1	161.2	-70.7	159.6	0	0	0	119.2
79	T	24.4	Very low	27.6	Very low	115 Å²	115	126.6 Å²	126.6	71%	0.706	74%	0.737	S	S	*	*				47	118.5	127.7	54.6	0	0	0	0	121.6
80	C	23.6	Very low	27.4	Very low	117 Å²	117	129.6 Å²	129.6	79%	0.791	73%	0.734	S	S	*	*			trans	86	132.7	135.7	-66.4	0	0	0	0	121.8
81	K	27.6	Very low	27.4	Very low	186 Å²	186	131.9 Å²	131.9	81%	0.809	74%	0.739	S	S	*	*			trans	93.2	121	151.7	-71.3	176	176	-177.9	0	121.2
82	I	27.1	Very low	27.7	Very low	131 Å²	131	135 Å²	135	67%	0.672	75%	0.748	S	S	*	*				72	112.4	129.7	-62.3	171	0	0	0	116.4
83	I	24.5	Very low	27.6	Very low	142 Å²	142	135.9 Å²	135.9	73%	0.728	75%	0.751	S	S	*	*				80.6	125.3	65.9	-73.3	167.4	0	0	0	111.6
84	T	27.1	Very low	27.8	Very low	105 Å²	105	138.8 Å²	138.8	64%	0.644	76%	0.758	S	S	*	*			cis	-158	-167.9	4.6	20.1	0	0	0	0	112.5
85	D	31.2	Very low	28	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	76%	0.761	S	S	*	*			trans	109.7	101.5	140.8	-55.2	-55.9	0	0	0	121
86	D	28.8	Very low	28.2	Very low	146 Å²	146	143.2 Å²	143.2	78%	0.781	77%	0.766	S	S	*	*			trans	52.6	135.1	134.1	-75.8	1.3	0	0	0	127.4
87	C	27	Very low	28.2	Very low	112 Å²	112	146.9 Å²	146.9	76%	0.757	77%	0.774	S	S	*	*			trans	47.2	137.4	140.3	-56.4	0	0	0	0	120.6
88	D	33.2	Very low	28.4	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	78%	0.78	S	S	*	*				-173.1	173.7	53.5	-155.6	0.4	0	0	0	114.5
89	N	32.2	Very low	28.8	Very low	136 Å²	136	147.6 Å²	147.6	73%	0.727	77%	0.77	S	S	*	*			trans	76.5	154.1	157.6	-79.9	-61.6	0	0	0	123.6
90	K	26.2	Very low	29.3	Very low	182 Å²	182	147.3 Å²	147.3	79%	0.791	77%	0.77	S	S	*	*			trans	-106.2	-173.9	-162.7	-58.9	167.5	-178.3	164.3	0	112.8
91	D	32.3	Very low	29.9	Very low	143 Å²	143	147 Å²	147	77%	0.765	76%	0.761	S	S	*	*			trans	84.1	81.3	157.7	-57.4	-15.5	0	0	0	118.7
92	K	32.4	Very low	30.3	Very low	211 Å²	211	141.5 Å²	141.5	92%	0.917	75%	0.746	S	S	*	*				-165	114.7	108.2	-102.3	155.4	-173.7	172.9	0	113.7
93	L	25.9	Very low	30.6	Very low	160 Å²	160	143.6 Å²	143.6	84%	0.838	75%	0.75	S	S	*	*			trans	-73.9	172	147.5	-79.4	100.4	0	0	0	109.7
94	I	28.7	Very low	31.1	Very low	154 Å²	154	141.3 Å²	141.3	79%	0.79	74%	0.739	S	S	*	*			trans	107.8	135.5	176.3	-59.7	160.4	0	0	0	111.8
95	H	30	Very low	31.6	Very low	178 Å²	178	144.8 Å²	144.8	82%	0.824	75%	0.746	S	S	*	*			trans	63.6	80.9	-168.1	-69	-75.1	0	0	0	116.7
96	D	30.7	Very low	31.5	Very low	162 Å²	162	145.3 Å²	145.3	87%	0.866	75%	0.747	S	S	*	*				-156.5	53.3	124.3	-130.6	-3.7	0	0	0	113.4
97	M	26.5	Very low	31.8	Very low	181 Å²	181	141.3 Å²	141.3	89%	0.892	73%	0.731	S	S	*	*			trans	-108.3	76.5	172.7	-79.9	-76.4	-166.9	0	0	109.7
98	N	30	Very low	32.1	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	73%	0.731	S	S	*	*			trans	-170.6	53.4	167.8	-101.4	-22.1	0	0	0	114.2
99	N	35.8	Very low	32.3	Very low	102 Å²	102	148.5 Å²	148.5	55%	0.545	74%	0.737	S	S	.	*			trans	-145.4	105.3	170.4	-165.1	-31.3	0	0	0	113.1	N101 S102	N99-N101 PolarHBondContact O-N 3.32Å; N99-N101 VanDerWaalsContact O-N 3.15Å; N99-N101 PolarHBondContact OD1-N 2.96Å; N99-N101 VanDerWaalsContact OD1-N 3.07Å; N99-S102 PolarHBondContact O-OG 2.97Å
100	P	34.5	Very low	32.1	Very low	109 Å²	109	145.5 Å²	145.5	71%	0.708	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-21.2	-179.3	-25.9	35.5	0	0	0	115.4
101	N	37	Very low	32.4	Very low	111 Å²	111	142.2 Å²	142.2	59%	0.594	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-5.9	-169.6	-71.7	-60.4	0	0	0	114.8	N99	N99-N101 PolarHBondContact O-N 3.32Å; N99-N101 VanDerWaalsContact O-N 3.15Å; N99-N101 PolarHBondContact OD1-N 2.96Å; N99-N101 VanDerWaalsContact OD1-N 3.07Å
102	S	36.2	Very low	32.5	Very low	71 Å²	71	139.7 Å²	139.7	50%	0.497	73%	0.731	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-41.7	175.5	60.5	0	0	0	0	112.1	N99 L104 K105	N99-S102 PolarHBondContact O-OG 2.97Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.44Å; S102-K105 PolarHBondContact O-N 3.45Å; S102-K105 VanDerWaalsContact O-N 3.07Å
103	F	31.5	Very low	32.7	Very low	174 Å²	174	137.3 Å²	137.3	76%	0.763	72%	0.72	S	S	*	*	H	α-helix	trans	-61	-35.2	-175.8	-143.9	-101.5	0	0	0	112.6	K105 L106 S107	F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 3.33Å; F103-L106 PolarHBondContact O-N 3.05Å; F103-S107 PolarHBondContact O-N 3.32Å
104	L	36.6	Very low	33.3	Very low	94 Å²	94	132.5 Å²	132.5	49%	0.492	70%	0.701	S	S	.	*	H	α-helix	trans	-72.1	-15.3	178.1	-77.3	166.8	0	0	0	114.7	S102	S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.44Å
105	K	36.1	Very low	33.5	Very low	179 Å²	179	131.1 Å²	131.1	78%	0.778	69%	0.693	S	S	*	*	H	α-helix	trans	-88.4	-20.6	176.5	-80.2	-178.1	175.3	175.1	0	113.7	S102 F103	S102-K105 PolarHBondContact O-N 3.45Å; S102-K105 VanDerWaalsContact O-N 3.07Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 3.33Å
106	L	31	Very low	33.7	Very low	145 Å²	145	129.6 Å²	129.6	76%	0.759	69%	0.686	S	S	*	*	H	α-helix	trans	-94	-34.8	176.6	-83.7	142.6	0	0	0	113	F103 R108 K109	F103-L106 PolarHBondContact O-N 3.05Å; L106-R108 VanDerWaalsContact C-N 3.25Å; L106-R108 PolarHBondContact O-N 3.22Å; L106-K109 PolarHBondContact O-N 3.01Å
107	S	33	Very low	34.1	Very low	63 Å²	63	125 Å²	125	44%	0.441	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-62.1	-29.9	178.8	62.7	0	0	0	0	113.8	F103 K109 A110	F103-S107 PolarHBondContact O-N 3.32Å; S107-K109 PolarHBondContact O-N 3.34Å; S107-K109 VanDerWaalsContact O-N 3.16Å; S107-A110 PolarHBondContact O-N 2.94Å
108	R	35.2	Very low	34.6	Very low	199 Å²	199	120.4 Å²	120.4	75%	0.751	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-74.7	4.5	-177.2	-68.8	-178.7	175.6	-177.8	-0.1	115.7	L106	L106-R108 VanDerWaalsContact C-N 3.25Å; L106-R108 PolarHBondContact O-N 3.22Å
109	K	36.3	Very low	35	Very low	202 Å²	202	116.9 Å²	116.9	88%	0.878	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-115.4	0.3	173.9	-79.1	-172.1	174.2	-177.5	0	115.2	L106 S107	L106-K109 PolarHBondContact O-N 3.01Å; S107-K109 PolarHBondContact O-N 3.34Å; S107-K109 VanDerWaalsContact O-N 3.16Å
110	A	29.2	Very low	35	Very low	73 Å²	73	115.8 Å²	115.8	60%	0.603	63%	0.626	S	S	*	*			trans	-109.2	-5.4	-174	0	0	0	0	0	115.4	S107 A112	S107-A110 PolarHBondContact O-N 2.94Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 3.44Å
111	S	31.7	Very low	35.2	Very low	113 Å²	113	118.2 Å²	118.2	79%	0.79	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	52.3	-166.9	63.9	0	0	0	0	115.1
112	A	35	Very low	35.2	Very low	91 Å²	91	119.3 Å²	119.3	75%	0.752	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	-14.7	-178.9	0	0	0	0	0	115.2	A110	A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 3.44Å
113	F	36	Very low	35.2	Very low	160 Å²	160	121.3 Å²	121.3	70%	0.702	63%	0.626	S	S	*	*	S	Bend	trans	-124.4	134.5	168.6	-84.1	-95.5	0	0	0	109.1	I115 I118	F113-I115 PolarHBondContact O-N 3.22Å; F113-I118 HydrophobicContact CB-CD1 3.99Å; F113-I118 HydrophobicContact CD1-CD1 4.34Å; F113-I118 HydrophobicContact CG-CD1 4.35Å
114	S	38.6	Very low	35.5	Very low	60 Å²	60	121.6 Å²	121.6	42%	0.42	63%	0.627	S	S	.	*			trans	-67.9	121.9	168.8	176.4	0	0	0	0	108.8	E116 S117 I118	S114-E116 PolarHBondContact O-N 3.11Å; S114-E116 WeakPolarHBondContact OG-CB 3.35Å; S114-E116 PolarHBondContact OG-N 3.1Å; S114-E116 PolarHBondContact OG-OE2 2.98Å; S114-S117 WeakPolarHBondContact O-CB 3.34Å; S114-S117 PolarHBondContact O-N 3.25Å; S114-I118 PolarHBondContact O-N 2.76Å
115	I	32.2	Very low	35.5	Very low	124 Å²	124	124.9 Å²	124.9	64%	0.636	64%	0.64	S	S	*	*	H	α-helix	trans	-58.9	-32.9	173.9	-69.1	173.8	0	0	0	109.7	F113 S117 I118 I119	F113-I115 PolarHBondContact O-N 3.22Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 3.43Å; I115-I118 PolarHBondContact O-N 3.48Å; I115-I119 HydrophobicContact CG2-CD1 3.61Å; I115-I119 HydrophobicContact CG2-CG1 4.1Å; I115-I119 VanDerWaalsContact O-CB 3.31Å; I115-I119 WeakPolarHBondContact O-CB 3.47Å; I115-I119 VanDerWaalsContact O-CG1 3.27Å; I115-I119 WeakPolarHBondContact O-CG1 3.47Å; I115-I119 PolarHBondContact O-N 3.23Å
116	E	34.5	Very low	35.4	Very low	146 Å²	146	121.6 Å²	121.6	68%	0.682	63%	0.63	S	S	*	*	H	α-helix	trans	-63.3	-27.3	173.9	-53.5	166.7	126.7	0	0	113	S114 S120	S114-E116 PolarHBondContact O-N 3.11Å; S114-E116 WeakPolarHBondContact OG-CB 3.35Å; S114-E116 PolarHBondContact OG-N 3.1Å; S114-E116 PolarHBondContact OG-OE2 2.98Å; E116-S120 WeakPolarHBondContact O-CB 3.37Å; E116-S120 PolarHBondContact O-N 3.04Å; E116-S120 PolarHBondContact O-OG 3.34Å
117	S	39.3	Very low	35.5	Very low	66 Å²	66	119.1 Å²	119.1	46%	0.462	62%	0.621	S	S	.	*	H	α-helix	trans	-80.9	-37	177.6	-164.1	0	0	0	0	112	S114 I115 K121	S114-S117 WeakPolarHBondContact O-CB 3.34Å; S114-S117 PolarHBondContact O-N 3.25Å; I115-S117 VanDerWaalsContact C-N 3.25Å; I115-S117 PolarHBondContact O-N 3.43Å; S117-K121 WeakPolarHBondContact O-CB 3.38Å; S117-K121 PolarHBondContact O-N 2.84Å
118	I	37.1	Very low	35.5	Very low	85 Å²	85	122.5 Å²	122.5	44%	0.436	63%	0.634	S	S	.	*	H	α-helix	trans	-71.1	-39.8	173.2	-64.2	177.2	0	0	0	110.1	F113 S114 I115 K121 K122	F113-I118 HydrophobicContact CB-CD1 3.99Å; F113-I118 HydrophobicContact CD1-CD1 4.34Å; F113-I118 HydrophobicContact CG-CD1 4.35Å; S114-I118 PolarHBondContact O-N 2.76Å; I115-I118 PolarHBondContact O-N 3.48Å; I118-K121 PolarHBondContact O-N 3.33Å; I118-K122 WeakPolarHBondContact O-CB 3.3Å; I118-K122 PolarHBondContact O-N 3.28Å
119	I	37.4	Very low	35.1	Very low	88 Å²	88	122.8 Å²	122.8	45%	0.451	64%	0.636	S	S	.	*	H	α-helix	trans	-63	-51.7	169.9	-69.1	176.8	0	0	0	109.5	I115 K121 K122 H123	I115-I119 HydrophobicContact CG2-CD1 3.61Å; I115-I119 HydrophobicContact CG2-CG1 4.1Å; I115-I119 VanDerWaalsContact O-CB 3.31Å; I115-I119 WeakPolarHBondContact O-CB 3.47Å; I115-I119 VanDerWaalsContact O-CG1 3.27Å; I115-I119 WeakPolarHBondContact O-CG1 3.47Å; I115-I119 PolarHBondContact O-N 3.23Å; I119-K121 PolarHBondContact O-N 2.8Å; I119-K121 VanDerWaalsContact O-N 3.11Å; I119-K122 PolarHBondContact O-N 3.41Å; I119-K122 VanDerWaalsContact O-N 3.12Å; I119-H123 HydrophobicContact CG2-CB 4.14Å; I119-H123 WeakPolarHBondContact O-CA 3.28Å; I119-H123 WeakPolarHBondContact O-CB 3.3Å; I119-H123 PolarHBondContact O-N 3.44Å
120	S	36.4	Very low	34.7	Very low	79 Å²	79	121 Å²	121	55%	0.552	64%	0.636	S	S	*	*	H	α-helix	trans	-59.7	-28.9	179.9	-63.9	0	0	0	0	113.9	E116	E116-S120 WeakPolarHBondContact O-CB 3.37Å; E116-S120 PolarHBondContact O-N 3.04Å; E116-S120 PolarHBondContact O-OG 3.34Å
121	K	38.6	Very low	34.7	Very low	159 Å²	159	121 Å²	121	69%	0.691	64%	0.644	S	S	*	*	H	α-helix	trans	-82.9	-35.4	174	-74.5	-169.7	173.7	-171.4	0	114	S117 I118 I119	S117-K121 WeakPolarHBondContact O-CB 3.38Å; S117-K121 PolarHBondContact O-N 2.84Å; I118-K121 PolarHBondContact O-N 3.33Å; I119-K121 PolarHBondContact O-N 2.8Å; I119-K121 VanDerWaalsContact O-N 3.11Å
122	K	37.4	Very low	34.6	Very low	134 Å²	134	123.8 Å²	123.8	58%	0.583	65%	0.648	S	S	*	*	H	α-helix	trans	-80	-40.9	175.1	-76.7	-164.1	170.7	-167.9	0	113.1	I118 I119 K124 Q125 I126	I118-K122 WeakPolarHBondContact O-CB 3.3Å; I118-K122 PolarHBondContact O-N 3.28Å; I119-K122 PolarHBondContact O-N 3.41Å; I119-K122 VanDerWaalsContact O-N 3.12Å; K122-K124 PolarHBondContact O-N 3.35Å; K122-Q125 CarbonylContact O-C 3.55Å; K122-Q125 WeakPolarHBondContact O-CA 3.42Å; K122-Q125 PolarHBondContact O-N 2.83Å; K122-I126 HydrophobicContact CB-CD1 4.22Å; K122-I126 VanDerWaalsContact O-CG1 3.32Å; K122-I126 WeakPolarHBondContact O-CG1 3.24Å; K122-I126 PolarHBondContact O-N 3.16Å
123	H	35.5	Very low	34.2	Very low	114 Å²	114	126.5 Å²	126.5	53%	0.528	65%	0.648	S	S	.	*	H	α-helix	trans	-66.5	-21.7	-179.2	-150.5	-31.9	0	0	0	112.2	I119 Q125 T127	I119-H123 HydrophobicContact CG2-CB 4.14Å; I119-H123 WeakPolarHBondContact O-CA 3.28Å; I119-H123 WeakPolarHBondContact O-CB 3.3Å; I119-H123 PolarHBondContact O-N 3.44Å; H123-Q125 VanDerWaalsContact C-N 3.31Å; H123-T127 WeakPolarHBondContact ND1-CG2 3.45Å; H123-T127 WeakPolarHBondContact O-CG2 3.44Å; H123-T127 PolarHBondContact O-OG1 2.83Å
124	K	38.8	Very low	33.8	Very low	180 Å²	180	124.4 Å²	124.4	78%	0.783	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-0.1	169.2	-143	173.1	-172.1	179.3	0	114.2	K122	K122-K124 PolarHBondContact O-N 3.35Å
125	Q	36.8	Very low	33.4	Very low	163 Å²	163	130.3 Å²	130.3	76%	0.762	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-5.7	169.2	-69	-176.3	-31.5	0	0	112.4	K122 H123	K122-Q125 CarbonylContact O-C 3.55Å; K122-Q125 WeakPolarHBondContact O-CA 3.42Å; K122-Q125 PolarHBondContact O-N 2.83Å; H123-Q125 VanDerWaalsContact C-N 3.31Å
126	I	32.8	Very low	33	Very low	110 Å²	110	131.7 Å²	131.7	56%	0.564	66%	0.663	S	S	*	*	S	Bend	trans	-126.7	44.9	179.7	-49.5	168.9	0	0	0	108.5	K122	K122-I126 HydrophobicContact CB-CD1 4.22Å; K122-I126 VanDerWaalsContact O-CG1 3.32Å; K122-I126 WeakPolarHBondContact O-CG1 3.24Å; K122-I126 PolarHBondContact O-N 3.16Å
127	T	32.7	Very low	32.7	Very low	93 Å²	93	130.1 Å²	130.1	57%	0.571	66%	0.663	S	S	*	*	S	Bend	trans	-125.2	-3.6	167.5	42.6	0	0	0	0	113.1	H123	H123-T127 WeakPolarHBondContact ND1-CG2 3.45Å; H123-T127 WeakPolarHBondContact O-CG2 3.44Å; H123-T127 PolarHBondContact O-OG1 2.83Å
128	N	33	Very low	32.1	Very low	133 Å²	133	133.8 Å²	133.8	71%	0.711	67%	0.674	S	S	*	*	S	Bend	trans	-96.7	142.4	150.3	-68.9	-13.6	0	0	0	106.4
129	Y	27	Very low	31.8	Very low	206 Å²	206	136.9 Å²	136.9	81%	0.808	69%	0.686	S	S	*	*	S	Bend	trans	64.2	79.1	-171.1	-63	-89.1	0	0	0	115.8
130	N	28.9	Very low	31.6	Very low	163 Å²	163	139 Å²	139	87%	0.872	70%	0.699	S	S	*	*				173.8	127.5	104.2	-84.4	-21.8	0	0	0	110.6
131	G	28.9	Very low	31.4	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	70%	0.704	S	S	*	*			trans	-154.3	50	-166	0	0	0	0	0	115.1
132	I	30.4	Very low	31.3	Very low	171 Å²	171	140.5 Å²	140.5	88%	0.877	71%	0.708	S	S	*	*			trans	68.8	121	163.2	-56.2	172.7	0	0	0	116.4
133	I	26.7	Very low	31.2	Very low	148 Å²	148	140.7 Å²	140.7	76%	0.759	72%	0.715	S	S	*	*			trans	-101.2	133.3	165.9	-63.7	162.4	0	0	0	107.4
134	N	26.8	Very low	31.1	Very low	116 Å²	116	142.5 Å²	142.5	62%	0.62	72%	0.724	S	S	*	*				175.1	146.2	125.1	-104.3	-31.6	0	0	0	115.6
135	Y	29.6	Very low	30.9	Very low	184 Å²	184	139.1 Å²	139.1	72%	0.722	72%	0.721	S	S	*	*			trans	56.4	141.4	154.3	-60.4	-52	0	0	0	120.2
136	E	25.3	Very low	31	Very low	154 Å²	154	136.2 Å²	136.2	72%	0.72	72%	0.716	S	S	*	*			cis	-168.7	176	-21.7	-155.6	162.2	-136.3	0	0	108.3
137	V	27	Very low	31.1	Very low	113 Å²	113	138 Å²	138	69%	0.685	72%	0.721	S	S	*	*			trans	71.4	130.1	162.9	175.6	0	0	0	0	116.6
138	M	27.8	Very low	31.2	Very low	142 Å²	142	140.1 Å²	140.1	70%	0.7	72%	0.724	S	S	*	*			cis	-167	167.4	-12.9	-111.9	173.8	-171.4	0	0	108.9
139	H	30.4	Very low	31	Very low	150 Å²	150	139.7 Å²	139.7	69%	0.694	72%	0.718	S	S	*	*			trans	67.6	144.5	161.2	-60	-54.5	0	0	0	118.3
140	D	32.4	Very low	31.2	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	71%	0.711	S	S	*	*			cis	-165.5	154.6	-16.3	-94.4	-18.9	0	0	0	106.9
141	D	33	Very low	31.1	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	70%	0.7	S	S	*	*			cis	-149.1	-109.1	-43.9	-166.7	70.9	0	0	0	107
142	D	35	Very low	31	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	69%	0.693	S	S	*	*			trans	50.6	125.7	170.1	-66.9	-4	0	0	0	117.4
143	D	35.9	Very low	30.9	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	68%	0.683	S	S	*	*			cis	-158.7	101.4	-9.9	-150.9	15	0	0	0	109.8
144	H	33.2	Very low	30.9	Very low	152 Å²	152	135.9 Å²	135.9	70%	0.704	68%	0.676	S	S	*	*				64.2	149.2	125.2	-93.2	48.7	0	0	0	124.5
145	P	34.6	Very low	30.9	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	68%	0.675	S	S	*	*			trans	-126.1	-101.3	-132.8	22	5	0	0	0	118.5
146	P	40.6	Very low	30.7	Very low	101 Å²	101	134.2 Å²	134.2	66%	0.656	67%	0.671	S	S	*	*			trans	-117.2	-168.9	-132.5	41.7	-25.5	0	0	0	112.7
147	H	34	Very low	30.8	Very low	148 Å²	148	133.5 Å²	133.5	69%	0.685	67%	0.668	S	S	*	*				178.6	140	126.9	-108.3	-88.8	0	0	0	112.6
148	H	33.7	Very low	30.9	Very low	137 Å²	137	134.9 Å²	134.9	63%	0.634	67%	0.666	S	S	*	*			trans	62.4	159	140.7	-73.6	-2.6	0	0	0	119.9
149	Q	30.3	Very low	31	Very low	125 Å²	125	135 Å²	135	58%	0.584	67%	0.665	S	S	*	*			cis	-152.8	173.2	-8.4	-126.2	160.6	-8.9	0	0	111.3
150	Q	29.8	Very low	31	Very low	138 Å²	138	133.7 Å²	133.7	65%	0.645	66%	0.663	S	S	*	*			trans	13.4	146.5	136.9	-68.6	163	-3.2	0	0	119.4
151	Q	27.2	Very low	30.9	Very low	141 Å²	141	131.3 Å²	131.3	66%	0.659	65%	0.653	S	S	*	*			cis	178.1	167.9	-5.9	-116.8	175.6	8.4	0	0	106.4
152	Q	27.1	Very low	30.7	Very low	130 Å²	130	132.2 Å²	132.2	61%	0.607	65%	0.651	S	S	*	*			trans	58.6	138.6	140.5	-75.2	-173.1	57	0	0	122
153	Q	27.9	Very low	30.6	Very low	141 Å²	141	130 Å²	130	66%	0.659	65%	0.647	S	S	*	*			trans	68.4	153.6	150.7	-63.1	177.7	59.2	0	0	116.4
154	Q	27	Very low	30.4	Very low	132 Å²	132	131.5 Å²	131.5	62%	0.617	64%	0.644	S	S	*	*			cis	-155.4	163.8	-19.9	-116.5	174.3	34.1	0	0	109.4
155	Q	26.7	Very low	30.5	Very low	128 Å²	128	129.3 Å²	129.3	60%	0.598	64%	0.637	S	S	*	*			trans	43.7	118.7	143.8	-64.1	-171.7	78	0	0	120.5
156	Q	26.6	Very low	30.1	Very low	136 Å²	136	131.8 Å²	131.8	64%	0.636	64%	0.639	S	S	*	*				79.3	144.2	122.3	-72.9	178.9	13.8	0	0	121.5
157	Q	26.8	Very low	29.7	Very low	140 Å²	140	133.8 Å²	133.8	65%	0.654	64%	0.644	S	S	*	*			trans	69.9	140.6	149	-69.3	175.7	85.3	0	0	116.7
158	Q	28.3	Very low	29.6	Very low	141 Å²	141	133.9 Å²	133.9	66%	0.659	65%	0.649	S	S	*	*			cis	-164.1	-178.3	-10.1	-123.1	170.9	18.1	0	0	109.3
159	H	29.7	Very low	29.2	Very low	144 Å²	144	132 Å²	132	67%	0.667	65%	0.652	S	S	*	*			trans	29.6	132	143.9	-77	-73	0	0	0	120
160	D	31.2	Very low	29.1	Very low	124 Å²	124	132.3 Å²	132.3	66%	0.663	66%	0.662	S	S	*	*			cis	-174.3	169.5	48	-117	5.1	0	0	0	110.8
161	V	29.5	Very low	28.9	Very low	83 Å²	83	130.1 Å²	130.1	50%	0.503	66%	0.662	S	S	.	*			cis	177.1	168.2	-30.2	71.7	0	0	0	0	112.7
162	K	30.3	Very low	28.9	Very low	142 Å²	142	131.7 Å²	131.7	62%	0.617	67%	0.669	S	S	*	*			trans	67.3	153.6	164.5	-67	156.9	-155.3	144.4	0	113.9	Y164	K162-Y164 HydrophobicContact CB-CE2 4.28Å; K162-Y164 HydrophobicContact CD-CE2 4.48Å; K162-Y164 HydrophobicContact CG-CE2 3.79Å
163	S	31.5	Very low	28.7	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	67%	0.672	S	S	*	*			cis	-158.7	162	12.7	36.9	0	0	0	0	108.1
164	Y	32	Very low	28.5	Very low	169 Å²	169	129.7 Å²	129.7	66%	0.663	67%	0.674	S	S	*	*			cis	-174.8	161.1	-10.5	-87.3	158.7	0	0	0	104.7	K162	K162-Y164 HydrophobicContact CB-CE2 4.28Å; K162-Y164 HydrophobicContact CD-CE2 4.48Å; K162-Y164 HydrophobicContact CG-CE2 3.79Å
165	D	34.8	Very low	28.5	Very low	106 Å²	106	129.7 Å²	129.7	57%	0.567	68%	0.677	S	S	*	*			cis	-156.6	164.6	-8	-104.1	-16.8	0	0	0	108.2
166	Q	27.8	Very low	28.5	Very low	162 Å²	162	128.3 Å²	128.3	76%	0.757	68%	0.682	S	S	*	*				42.7	115.3	90.5	-43.3	-164.6	-81.7	0	0	113.6
167	D	31.5	Very low	28.5	Very low	143 Å²	143	128 Å²	128	77%	0.765	68%	0.684	S	S	*	*				-169.3	167.6	80.9	-92	-11.7	0	0	0	110.5
168	L	31	Very low	28.5	Very low	151 Å²	151	128.6 Å²	128.6	79%	0.791	68%	0.684	S	S	*	*			cis	-149.5	176.7	-5	-150.9	75	0	0	0	109.7
169	S	25.4	Very low	28.6	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	69%	0.688	S	S	*	*			trans	-106.6	131.3	-179.5	60.1	0	0	0	0	115.8
170	T	29.9	Very low	28.7	Very low	131 Å²	131	128.4 Å²	128.4	80%	0.804	68%	0.683	S	S	*	*			trans	-159	124.5	152.1	32.3	0	0	0	0	107.1
171	S	25.6	Very low	28.7	Very low	92 Å²	92	129.1 Å²	129.1	64%	0.643	69%	0.687	S	S	*	*				81	135.8	51	82.2	0	0	0	0	114.4
172	Q	26.2	Very low	28.9	Very low	173 Å²	173	131.1 Å²	131.1	81%	0.808	69%	0.694	S	S	*	*			trans	74	158.7	169.6	-55.6	-162.1	1.1	0	0	116.6
173	I	23.8	Very low	29	Very low	129 Å²	129	132 Å²	132	66%	0.662	70%	0.701	S	S	*	*			cis	-166.8	129.5	-36.4	-105.4	157.2	0	0	0	106.1
174	S	24	Very low	29	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	71%	0.705	S	S	*	*			trans	54.9	-174.1	165.2	73.6	0	0	0	0	116.5
175	L	26.3	Very low	29	Very low	132 Å²	132	132.7 Å²	132.7	69%	0.691	71%	0.708	S	S	*	*			cis	-115.2	143.1	-21.5	-89.5	107.7	0	0	0	106.4	I177	L175-I177 HydrophobicContact CD2-CD1 4.47Å
176	S	25.5	Very low	28.6	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	72%	0.716	S	S	*	*				67	149.5	72.6	-44	0	0	0	0	116
177	I	26.9	Very low	28.6	Very low	130 Å²	130	133.7 Å²	133.7	67%	0.667	72%	0.715	S	S	*	*			trans	94	93.2	161.9	-60.7	161.8	0	0	0	116.5	L175	L175-I177 HydrophobicContact CD2-CD1 4.47Å
178	K	27.7	Very low	28.6	Very low	152 Å²	152	134 Å²	134	66%	0.661	72%	0.717	S	S	*	*				84.7	153.6	105.7	-66.3	-173.1	-165.8	179.6	0	114
179	Y	30.6	Very low	28.6	Very low	189 Å²	189	134.8 Å²	134.8	74%	0.741	72%	0.716	S	S	*	*			cis	-127.8	150.4	15.7	-87.5	-101.4	0	0	0	109.6
180	T	30.3	Very low	28.8	Very low	92 Å²	92	136.5 Å²	136.5	56%	0.564	72%	0.718	S	S	*	*			cis	63.5	133.7	40.8	62.8	0	0	0	0	113.6
181	D	31.4	Very low	28.6	Very low	138 Å²	138	140.2 Å²	140.2	74%	0.738	72%	0.717	S	S	*	*			cis	-150.6	-179.4	6.7	-102.3	-23.9	0	0	0	107.5
182	D	35.4	Very low	28.7	Very low	125 Å²	125	141.9 Å²	141.9	67%	0.668	72%	0.718	S	S	*	*			cis	-151.2	151.6	39.9	-124.8	-53.5	0	0	0	113.2	K184	D182-K184 IonicContact OD1-NZ 3.59Å; D182-K184 PolarHBondContact OD1-NZ 3.06Å
183	Q	30.4	Very low	28.8	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	71%	0.714	S	S	*	*			trans	-124.9	144.2	161.3	-74.4	-169	-1.4	0	0	109.7
184	K	32	Very low	28.8	Very low	179 Å²	179	141.5 Å²	141.5	78%	0.778	72%	0.718	S	S	*	*			trans	-168	150.3	147.4	-87.5	121.1	-157	154.8	0	109.8	D182	D182-K184 IonicContact OD1-NZ 3.59Å; D182-K184 PolarHBondContact OD1-NZ 3.06Å
185	S	31.7	Very low	29.1	Very low	102 Å²	102	145.6 Å²	145.6	71%	0.713	73%	0.726	S	S	*	*			cis	-161.9	121.3	-22.7	48.7	0	0	0	0	111.1
186	I	27.4	Very low	29.1	Very low	143 Å²	143	144.1 Å²	144.1	73%	0.733	73%	0.727	S	S	*	*			trans	-20.9	163.6	150.7	-26	177.5	0	0	0	117
187	I	28.1	Very low	29.1	Very low	146 Å²	146	146.7 Å²	146.7	75%	0.749	73%	0.732	S	S	*	*			trans	90.7	127.7	162.5	-57.1	167.3	0	0	0	113.1
188	N	31.4	Very low	29.1	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	73%	0.732	S	S	*	*			cis	-146.7	177.7	35.9	-142.6	-21.1	0	0	0	116.6
189	H	29.6	Very low	29	Very low	168 Å²	168	147.9 Å²	147.9	78%	0.778	74%	0.74	S	S	*	*			trans	-97.4	173.3	-176.5	-112.3	-85.3	0	0	0	115
190	N	31.2	Very low	28.9	Very low	134 Å²	134	146.1 Å²	146.1	72%	0.717	74%	0.743	S	S	*	*			trans	97.4	125.1	165.6	-53.2	-57.6	0	0	0	115.3
191	R	25	Very low	28.8	Very low	210 Å²	210	146.9 Å²	146.9	79%	0.792	75%	0.752	S	S	*	*			cis	94.6	127.9	30.2	-169.8	-151.7	174.7	158.4	0.2	111.5
192	L	27.4	Very low	28.6	Very low	126 Å²	126	145.6 Å²	145.6	66%	0.66	75%	0.754	S	S	*	*			trans	73.4	146.9	-174.1	-46.8	177.4	0	0	0	112
193	E	28.3	Very low	28.9	Very low	158 Å²	158	144.8 Å²	144.8	74%	0.738	76%	0.755	S	S	*	*			cis	-150.4	-172.2	-3	-136.7	156	-147.6	0	0	113.1
194	N	24.5	Very low	28.9	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	76%	0.756	S	S	*	*			trans	-70.8	177.3	-173.4	-60.4	-72	0	0	0	114.9
195	Q	29.6	Very low	28.7	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	75%	0.747	S	S	*	*			trans	89.7	144.2	167.6	-52.7	175.3	43.4	0	0	115.1
196	S	26.3	Very low	28.9	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	75%	0.747	S	S	*	*			cis	-166.4	173.6	-15.7	-101	0	0	0	0	109.6
197	L	26	Very low	29	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	75%	0.752	S	S	*	*			trans	-31.5	150.1	156.4	-52.7	161.6	0	0	0	112.4
198	S	26.2	Very low	29.3	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	75%	0.749	S	S	*	*				-177.7	141.4	50.4	57.5	0	0	0	0	114.9
199	Y	26.9	Very low	29.2	Very low	210 Å²	210	136.9 Å²	136.9	82%	0.824	74%	0.742	S	S	*	*			trans	57.3	152.4	130.6	-80.8	-90.6	0	0	0	125.3
200	L	27.3	Very low	29.3	Very low	152 Å²	152	138.7 Å²	138.7	80%	0.796	75%	0.747	S	S	*	*			trans	89.1	119.5	142.5	-80.8	158.9	0	0	0	122.8
201	S	28.7	Very low	29.1	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	75%	0.749	S	S	*	*			trans	96.6	101.8	136.2	-60.3	0	0	0	0	121.7
202	S	28.1	Very low	29.6	Very low	111 Å²	111	133.6 Å²	133.6	78%	0.776	75%	0.751	S	S	*	*			trans	-76.1	-164.5	146.7	-30.7	0	0	0	0	110.5
203	P	40.7	Very low	29.7	Very low	108 Å²	108	133.7 Å²	133.7	70%	0.701	75%	0.748	S	S	*	*			cis	-133.3	-138	-11.7	30.9	-5.7	0	0	0	111.6
204	I	29.9	Very low	29.7	Very low	152 Å²	152	134 Å²	134	78%	0.779	75%	0.749	S	S	*	*			trans	87.9	133.3	161.7	-61	163.1	0	0	0	116.3
205	S	29.5	Very low	29.9	Very low	84 Å²	84	132.2 Å²	132.2	59%	0.587	75%	0.747	S	S	*	*			cis	-168.7	-174.6	-20.7	63.7	0	0	0	0	111.6
206	N	33.9	Very low	29.7	Very low	134 Å²	134	130.8 Å²	130.8	72%	0.717	75%	0.745	S	S	*	*			trans	78.3	118	167.3	-53.5	1.2	0	0	0	115.3
207	D	31.4	Very low	29.6	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	75%	0.746	S	S	*	*				85.4	140.1	57.6	-79.3	-51.5	0	0	0	113.6
208	S	33.3	Very low	29.6	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	74%	0.74	S	S	*	*			cis	-150.8	148.8	13.8	54.4	0	0	0	0	115
209	S	28.5	Very low	29.6	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	74%	0.743	S	S	*	*			trans	28	124.9	147.3	69.8	0	0	0	0	122.8
210	K	31.8	Very low	29.7	Very low	205 Å²	205	127.8 Å²	127.8	89%	0.891	74%	0.737	S	S	*	*				173.4	150.5	106.4	-92.8	163.7	-174.9	173.9	0	113
211	S	27.1	Very low	29.6	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	73%	0.733	S	S	*	*			trans	-91.1	168.4	171.2	63	0	0	0	0	111.5
212	P	35.5	Very low	29.7	Very low	128 Å²	128	129.2 Å²	129.2	83%	0.831	73%	0.732	S	S	*	*				-149.5	-167.4	90.6	41.1	-23	0	0	0	115.7
213	H	30	Very low	29.8	Very low	127 Å²	127	132.1 Å²	132.1	59%	0.588	73%	0.731	S	S	*	*			trans	-92	157.2	-179	-100.1	-89.9	0	0	0	114	K480	H213-K480 WeakPolarHBondContact NE2-CE 3.45Å; H213-K480 PolarHBondContact NE2-NZ 2.73Å
214	H	29.7	Very low	29.2	Very low	166 Å²	166	131.1 Å²	131.1	77%	0.769	73%	0.726	S	S	*	*			trans	72	160.6	145.6	-86.9	-71.3	0	0	0	122.8
215	S	27.1	Very low	29.3	Very low	98 Å²	98	133 Å²	133	69%	0.685	73%	0.725	S	S	*	*			trans	67.7	98.6	161.7	43.7	0	0	0	0	120.4
216	L	25.2	Very low	29.5	Very low	155 Å²	155	135.8 Å²	135.8	81%	0.812	73%	0.731	S	S	*	*				62.5	136.2	119.8	-63.7	175.5	0	0	0	121.7
217	Q	24.9	Very low	29.4	Very low	159 Å²	159	134.5 Å²	134.5	74%	0.743	72%	0.724	S	S	*	*			trans	74.8	143.9	149.9	-114.6	77.7	-4.1	0	0	120.8
218	S	26.1	Very low	29.4	Very low	97 Å²	97	134.7 Å²	134.7	68%	0.678	72%	0.72	S	S	*	*			trans	66	94.5	150.2	55.3	0	0	0	0	120.9
219	S	26.8	Very low	29.2	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	72%	0.718	S	S	*	*				97.7	144.1	98.4	-70.2	0	0	0	0	121.9
220	I	27.6	Very low	29.4	Very low	139 Å²	139	137.3 Å²	137.3	71%	0.713	72%	0.715	S	S	*	*			trans	80.9	92.5	147.6	-69.9	157.6	0	0	0	117.6
221	N	26.8	Very low	29.4	Very low	133 Å²	133	134.3 Å²	134.3	71%	0.711	71%	0.707	S	S	*	*				53.9	134.5	120.1	-48.7	-15.2	0	0	0	120.3
222	Q	29.7	Very low	29.5	Very low	158 Å²	158	135.7 Å²	135.7	74%	0.738	70%	0.699	S	S	*	*				-154.5	127.5	96	-100.4	174.1	88.3	0	0	109.7
223	K	30	Very low	29.4	Very low	172 Å²	172	137.6 Å²	137.6	75%	0.748	70%	0.697	S	S	*	*				66.5	140.2	103	-70.7	-177.9	-167.3	168.5	0	113.7
224	S	29.2	Very low	29.5	Very low	86 Å²	86	138.8 Å²	138.8	60%	0.601	70%	0.703	S	S	*	*			cis	-169	173.9	3.4	35.2	0	0	0	0	107.9
225	Y	31.3	Very low	29.3	Very low	192 Å²	192	137.1 Å²	137.1	75%	0.753	70%	0.704	S	S	*	*			cis	-153.3	136.5	40.7	-103.3	-106.4	0	0	0	111.7
226	M	33.7	Very low	29.3	Very low	143 Å²	143	139.8 Å²	139.8	70%	0.704	71%	0.706	S	S	*	*			trans	48.6	149.9	138.3	-42.7	-50.3	-156.2	0	0	121.9
227	N	31.4	Very low	29.5	Very low	106 Å²	106	139.6 Å²	139.6	57%	0.567	70%	0.699	S	S	*	*			cis	-156	145.2	-11.5	-113.9	34.6	0	0	0	106.8
228	E	30.7	Very low	29.7	Very low	160 Å²	160	141.1 Å²	141.1	75%	0.748	70%	0.703	S	S	*	*				59.8	117.7	63.6	-51.1	-174.8	162.2	0	0	111.6
229	N	30.8	Very low	29.7	Very low	120 Å²	120	141.4 Å²	141.4	64%	0.642	71%	0.705	S	S	*	*				-159.9	171	62.7	-84.5	1.2	0	0	0	109.5
230	E	32.2	Very low	29.7	Very low	125 Å²	125	143.3 Å²	143.3	58%	0.584	71%	0.707	S	S	*	*			cis	-158.8	143.9	-8.4	-112.2	168.2	122.6	0	0	105.3	K232	E230-K232 IonicContact OE1-NZ 2.88Å; E230-K232 PolarHBondContact OE1-NZ 3.39Å
231	I	32	Very low	29.9	Very low	141 Å²	141	144.6 Å²	144.6	72%	0.723	71%	0.714	S	S	*	*			cis	60.7	105.6	42.5	-32.2	165.5	0	0	0	111.7
232	K	29.2	Very low	29.9	Very low	139 Å²	139	145.5 Å²	145.5	60%	0.604	72%	0.719	S	S	*	*				-169.3	173.1	83.5	-75.8	164.6	-144.5	76.4	0	107.4	E230	E230-K232 IonicContact OE1-NZ 2.88Å; E230-K232 PolarHBondContact OE1-NZ 3.39Å
233	E	32.7	Very low	30	Very low	168 Å²	168	146 Å²	146	79%	0.785	72%	0.722	S	S	*	*			cis	-141.9	138.8	29.9	-71	171.1	151.8	0	0	113.4
234	E	31.6	Very low	29.8	Very low	153 Å²	153	146.8 Å²	146.8	72%	0.715	73%	0.728	S	S	*	*				43.2	116.4	124	-50	-178	171.6	0	0	118.7
235	T	26	Very low	29.9	Very low	131 Å²	131	151.1 Å²	151.1	80%	0.804	74%	0.736	S	S	*	*			cis	47.7	90.6	49.7	74.7	0	0	0	0	116.4
236	E	26.5	Very low	29.9	Very low	153 Å²	153	147.1 Å²	147.1	72%	0.715	73%	0.734	S	S	*	*			trans	-161.6	161.4	139.8	-121.3	-163.1	136.9	0	0	115.3
237	K	31.1	Very low	29.6	Very low	152 Å²	152	145.8 Å²	145.8	66%	0.661	74%	0.735	S	S	*	*			trans	68.7	84.4	154.7	-68.9	154.2	-178.8	144.4	0	120.5
238	K	28.1	Very low	29.8	Very low	191 Å²	191	146.8 Å²	146.8	83%	0.83	75%	0.748	S	S	*	*				73.5	129.2	119.9	-70	174.8	179.3	-178.7	0	121.2
239	S	26.3	Very low	29.7	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	75%	0.75	S	S	*	*			trans	73.2	135.5	138.6	57.4	0	0	0	0	121
240	N	27.2	Very low	29.7	Very low	144 Å²	144	148 Å²	148	77%	0.77	75%	0.754	S	S	*	*			trans	94.1	118.9	154.1	-65.9	0.7	0	0	0	119.8
241	L	32.1	Very low	29.6	Very low	166 Å²	166	150.2 Å²	150.2	87%	0.869	77%	0.769	S	S	*	*			trans	80.8	141.4	149.9	-62.4	164.6	0	0	0	118.8
242	N	26.1	Very low	29.4	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	77%	0.771	S	S	*	*			trans	-91	155.7	173.5	-29.2	-66.9	0	0	0	108.4
243	E	30.8	Very low	29.6	Very low	169 Å²	169	150.2 Å²	150.2	79%	0.79	78%	0.783	S	S	*	*				-158.6	161.7	129.1	-120.3	169.7	-158.9	0	0	111.5	F245	E243-F245 HydrophobicContact CB-CD2 4.46Å; E243-F245 HydrophobicContact CB-CE2 4.15Å; E243-F245 HydrophobicContact CG-CE2 4.48Å
244	E	27.2	Very low	29.3	Very low	188 Å²	188	148.6 Å²	148.6	88%	0.879	79%	0.785	S	S	*	*			trans	-130.2	121.5	-167.1	177.6	175.2	-156.7	0	0	107.7
245	F	30.8	Very low	29.3	Very low	176 Å²	176	149 Å²	149	77%	0.772	79%	0.79	S	S	*	*			trans	-121	129.9	-170.2	-92.7	-85.7	0	0	0	113.8	E243	E243-F245 HydrophobicContact CB-CD2 4.46Å; E243-F245 HydrophobicContact CB-CE2 4.15Å; E243-F245 HydrophobicContact CG-CE2 4.48Å
246	P	31.1	Very low	29.4	Very low	109 Å²	109	146.6 Å²	146.6	71%	0.708	78%	0.778	S	S	*	*			trans	-106.5	-162.5	-169.7	48.1	-41.8	0	0	0	111.4
247	P	27.9	Very low	29.5	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	78%	0.779	S	S	*	*			trans	-78.9	158.4	-168.3	34.2	-34	0	0	0	113.6
248	P	35.4	Very low	29.7	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	78%	0.784	S	S	*	*			trans	-81.2	140.3	-173.2	32.6	-35.4	0	0	0	113
249	N	28.7	Very low	30	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	78%	0.781	S	S	*	*			trans	-150.3	149.8	162.7	-141.2	22.6	0	0	0	110.5
250	E	29.9	Very low	30.2	Very low	156 Å²	156	147.5 Å²	147.5	73%	0.729	79%	0.788	S	S	*	*			trans	62.5	130.2	171.6	-61.7	-172.2	-161.2	0	0	120.1
251	L	30.8	Very low	30.6	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	79%	0.792	S	S	*	*			trans	-130.1	117.5	155.3	-100.6	169.4	0	0	0	106.7
252	N	28.2	Very low	30.6	Very low	143 Å²	143	143 Å²	143	77%	0.765	78%	0.781	S	S	*	*			trans	-132.1	131.9	174.7	-105.2	-36.7	0	0	0	108.7
253	T	32.5	Very low	31	Very low	138 Å²	138	142.9 Å²	142.9	85%	0.847	78%	0.78	S	S	*	*			trans	-133.4	120.7	173.5	43.7	0	0	0	0	110
254	T	27.1	Very low	31.1	Very low	134 Å²	134	141.7 Å²	141.7	82%	0.822	78%	0.779	S	S	*	*			trans	-82.4	140.6	-172.6	49.8	0	0	0	0	113.6
255	I	31.5	Very low	31.5	Very low	162 Å²	162	139.4 Å²	139.4	83%	0.831	77%	0.773	S	S	*	*			trans	-135.8	98.3	152.1	-63.8	-171.9	0	0	0	109.5
256	S	27.8	Very low	31.7	Very low	80 Å²	80	138.4 Å²	138.4	56%	0.559	78%	0.776	S	S	*	*			trans	20.5	126.7	139.3	56.7	0	0	0	0	123
257	D	29.8	Very low	31.9	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	78%	0.783	S	S	*	*				86.8	154.9	124.3	-54.8	-7	0	0	0	123.2
258	F	35.1	Very low	32.1	Very low	172 Å²	172	143.4 Å²	143.4	75%	0.754	79%	0.79	S	S	*	*			trans	94.8	84.3	164	-58.1	-70.5	0	0	0	121.4
259	D	34.6	Very low	32	Very low	145 Å²	145	141 Å²	141	78%	0.775	79%	0.789	S	S	*	*				74.2	141.9	118.1	-60.1	2.9	0	0	0	124
260	D	29.4	Very low	32	Very low	164 Å²	164	142.2 Å²	142.2	88%	0.877	79%	0.789	S	S	*	*			trans	-85.7	129.4	178.6	-56.6	-80.1	0	0	0	114.2
261	V	35.1	Very low	32.2	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	80%	0.797	S	S	*	*			trans	-149.9	105.5	154.3	-174.1	0	0	0	0	105.6
262	A	33.2	Very low	32.1	Very low	77 Å²	77	139.4 Å²	139.4	64%	0.636	79%	0.785	S	S	*	*				75.2	111.4	71.4	0	0	0	0	0	114.8
263	D	33.3	Very low	32.2	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	78%	0.78	S	S	*	*			trans	69	154.2	148.4	-53.5	-29.8	0	0	0	122.9
264	D	34.2	Very low	32.1	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	77%	0.772	S	S	*	*			trans	75.8	130.8	159.7	-57.1	-21	0	0	0	123.8
265	D	35.7	Very low	32.4	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	78%	0.775	S	S	*	*			trans	60.2	112.8	145.5	-58.3	-9.3	0	0	0	124.5
266	D	34	Very low	32.3	Very low	155 Å²	155	139.8 Å²	139.8	83%	0.829	77%	0.771	S	S	*	*				47.8	162.8	125	-71.2	-14.8	0	0	0	124.9
267	D	36.5	Very low	32.6	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	78%	0.777	S	S	*	*			trans	79.3	135.5	165.5	-83.1	-6.3	0	0	0	122.9
268	D	32.3	Very low	32.6	Very low	167 Å²	167	141.2 Å²	141.2	89%	0.893	78%	0.778	S	S	*	*			trans	-60.4	155.8	-175	-62.8	-45.8	0	0	0	117
269	G	32.2	Very low	32.6	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	78%	0.775	S	S	*	*			trans	-171.2	92.5	168.1	0	0	0	0	0	116.5
270	E	29.7	Very low	32.3	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	77%	0.774	S	S	*	*			trans	-76.6	133.9	167.3	-69.9	-169.3	127	0	0	112.2
271	V	32.6	Very low	32.6	Very low	147 Å²	147	134 Å²	134	89%	0.891	77%	0.768	S	S	*	*			trans	-137.1	103.3	154.9	-177.9	0	0	0	0	110.6
272	L	30.1	Very low	32.4	Very low	122 Å²	122	133.3 Å²	133.3	64%	0.639	76%	0.764	S	S	*	*			trans	-73.1	177.7	165.1	-63.4	148.4	0	0	0	109.3
273	N	30.5	Very low	32.5	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	77%	0.773	S	S	*	*			cis	-171.4	169.7	25.4	-147.4	-14.2	0	0	0	113.5
274	N	29.2	Very low	32.3	Very low	125 Å²	125	135.8 Å²	135.8	67%	0.668	77%	0.773	S	S	*	*			trans	94.7	141.8	156.8	-53.1	-44.4	0	0	0	116.5
275	I	32.6	Very low	32.1	Very low	173 Å²	173	136.5 Å²	136.5	89%	0.887	78%	0.777	S	S	*	*			cis	-136.7	175.7	40	-75.7	171.2	0	0	0	112.3
276	H	31	Very low	31.8	Very low	163 Å²	163	136.7 Å²	136.7	76%	0.755	78%	0.777	S	S	*	*			trans	-114.5	-179.7	-147.3	-141.7	-105.3	0	0	0	116.8
277	C	32.7	Very low	31.6	Very low	100 Å²	100	134.7 Å²	134.7	68%	0.676	78%	0.775	S	S	*	*			trans	89.8	143.1	161.9	-60	0	0	0	0	119.7
278	L	30.3	Very low	31.4	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	77%	0.767	S	S	*	*			cis	-164.8	164.9	-11.4	-115.2	170	0	0	0	111.8
279	S	34.6	Very low	31.3	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	76%	0.756	S	S	*	*			trans	59.6	118	170.1	48.2	0	0	0	0	118.5
280	S	29.7	Very low	31.2	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	76%	0.756	S	S	*	*				67.4	130.4	66.8	73.2	0	0	0	0	114.1
281	V	34.6	Very low	31.2	Very low	124 Å²	124	135.1 Å²	135.1	75%	0.752	76%	0.755	S	S	*	*			cis	-140	163.6	39	174.5	0	0	0	0	112.6
282	T	31	Very low	30.9	Very low	125 Å²	125	135.9 Å²	135.9	77%	0.767	75%	0.753	S	S	*	*			trans	-136.9	160.2	170.1	56.3	0	0	0	0	112.3
283	P	35.3	Very low	30.8	Very low	125 Å²	125	137 Å²	137	81%	0.812	76%	0.758	S	S	*	*			trans	-127.2	157.1	143.3	36	-27	0	0	0	113.3
284	L	28.6	Very low	30.6	Very low	154 Å²	154	137.4 Å²	137.4	81%	0.806	76%	0.76	S	S	*	*			trans	-86.5	159.6	-173.8	-58.3	98.9	0	0	0	113.7
285	N	31.6	Very low	30.6	Very low	159 Å²	159	142.8 Å²	142.8	85%	0.85	77%	0.771	S	S	*	*			trans	-146.2	150.8	130.8	-143.8	-25.4	0	0	0	111.3
286	L	29	Very low	30.5	Very low	145 Å²	145	141.7 Å²	141.7	76%	0.759	77%	0.767	S	S	*	*			trans	-92.3	148.6	-171.1	-65.1	92.2	0	0	0	112.6
287	S	30.4	Very low	30.3	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	77%	0.77	S	S	*	*			trans	-128.4	134.9	155.4	-174.4	0	0	0	0	108.9
288	I	30.9	Very low	30.3	Very low	134 Å²	134	144.5 Å²	144.5	69%	0.687	78%	0.775	S	S	*	*			trans	-94.6	102.1	-174.9	-60.3	169.8	0	0	0	108.9	N290	I288-N290 PolarHBondContact O-N 2.82Å
289	D	31	Very low	30.4	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	77%	0.767	S	S	*	*			trans	-88.6	80	174	-125.2	-44.6	0	0	0	110.3	K291	D289-K291 VanDerWaalsContact C-N 3.35Å; D289-K291 PolarHBondContact O-N 3.44Å; D289-K291 IonicContact OD1-NZ 3.49Å
290	N	29.3	Very low	30.1	Very low	148 Å²	148	145 Å²	145	79%	0.791	77%	0.771	S	S	*	*			trans	-71.6	86.2	172.8	-93.8	-24.3	0	0	0	110.7	I288	I288-N290 PolarHBondContact O-N 2.82Å
291	K	29.4	Very low	30	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.787	77%	0.772	S	S	*	*			trans	-124.3	78.9	169.3	-80.5	178.7	-176.7	136.8	0	112.1	D289	D289-K291 VanDerWaalsContact C-N 3.35Å; D289-K291 PolarHBondContact O-N 3.44Å; D289-K291 IonicContact OD1-NZ 3.49Å
292	L	26.8	Very low	29.7	Very low	162 Å²	162	145.6 Å²	145.6	85%	0.848	77%	0.774	S	S	*	*			trans	-112.9	152.7	166.5	-117.1	171.9	0	0	0	109.5
293	I	27.4	Very low	29.5	Very low	145 Å²	145	148.2 Å²	148.2	74%	0.744	78%	0.775	S	S	*	*			trans	75.3	80.8	168.8	-50.9	170	0	0	0	115.8
294	N	27.5	Very low	29.1	Very low	133 Å²	133	149.8 Å²	149.8	71%	0.711	78%	0.776	S	S	*	*				46.6	110	103.7	-168.3	10.7	0	0	0	117.9
295	R	28.5	Very low	28.9	Very low	238 Å²	238	149 Å²	149	90%	0.898	77%	0.773	S	S	*	*			trans	-139.8	102.5	155.6	-76.8	-166.1	173.2	169.3	-0.7	111.8
296	N	30.9	Very low	28.8	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	77%	0.772	S	S	*	*			trans	-67.7	139.6	151.4	-76.4	-25.1	0	0	0	108.9
297	N	26.7	Very low	28.5	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	77%	0.773	S	S	*	*			trans	-77.7	143.3	170.1	-69.9	-36.8	0	0	0	110.1
298	H	33	Very low	28.5	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.787	77%	0.772	S	S	*	*			trans	-154.5	138.9	139	-109.1	-76.3	0	0	0	111.4
299	D	32.3	Very low	28.3	Very low	113 Å²	113	150 Å²	150	60%	0.604	77%	0.771	S	S	*	*			trans	64.3	100	144	-60.8	-5.6	0	0	0	122.6
300	N	28.4	Very low	28.1	Very low	142 Å²	142	146 Å²	146	76%	0.759	75%	0.752	S	S	*	*				83.4	159.3	113.4	-65.1	-35.7	0	0	0	121.8
301	C	28.2	Very low	28	Very low	114 Å²	114	146 Å²	146	77%	0.77	75%	0.752	S	S	*	*			trans	79.8	93.2	157.1	-67.2	0	0	0	0	120.1
302	T	28.6	Very low	27.8	Very low	130 Å²	130	143.8 Å²	143.8	80%	0.798	75%	0.748	S	S	*	*				94.7	142.1	122.6	-42.3	0	0	0	0	118
303	F	25.1	Very low	27.8	Very low	180 Å²	180	141 Å²	141	79%	0.789	74%	0.742	S	S	*	*			trans	-63.1	148.7	168.7	-78	-122.8	0	0	0	110.7
304	D	28	Very low	27.7	Very low	157 Å²	157	143.3 Å²	143.3	84%	0.84	75%	0.747	S	S	*	*				-157.8	162	112.5	-114.5	-34.4	0	0	0	111.9
305	L	24.7	Very low	27.9	Very low	139 Å²	139	141.3 Å²	141.3	73%	0.728	74%	0.741	S	S	*	*			trans	-79.7	154.5	173.9	-71.4	76.7	0	0	0	110.3
306	I	29.1	Very low	27.9	Very low	165 Å²	165	139.4 Å²	139.4	85%	0.846	74%	0.74	S	S	*	*				178.7	138.8	127.4	-92.9	152.9	0	0	0	110.1
307	K	22.9	Very low	27.6	Very low	175 Å²	175	139 Å²	139	76%	0.761	73%	0.733	S	S	*	*			trans	-82.9	149.9	170.3	-66	179.8	179	178.8	0	110
308	P	29.9	Very low	27.6	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	73%	0.732	S	S	*	*				-116.3	135.7	110	32.8	-33.1	0	0	0	110.2
309	T	26.5	Very low	27.3	Very low	109 Å²	109	138.1 Å²	138.1	67%	0.669	73%	0.728	S	S	*	*			cis	77.5	120.5	37.9	-50.6	0	0	0	0	112.9
310	V	26.8	Very low	27.1	Very low	42 Å²	42	135.7 Å²	135.7	26%	0.255	73%	0.73	S	S	.	*			trans	-47	141.9	179.7	-155.4	0	0	0	0	114.5	L312 H865	V310-L312 HydrophobicContact CG1-CD1 4.23Å; V310-L312 HydrophobicContact CG1-CG 3.96Å; V310-H865 WeakPolarHBondContact CG2-CD2 3.39Å; V310-H865 VanDerWaalsContact CG2-NE2 3.33Å; V310-H865 WeakPolarHBondContact CG2-NE2 3.25Å
311	N	27.2	Very low	27	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	73%	0.734	S	S	*	*				-154	128.1	125.1	-87	-44.7	0	0	0	106.9
312	L	25.9	Very low	27	Very low	133 Å²	133	142.5 Å²	142.5	70%	0.696	73%	0.732	S	S	*	*				71.8	150.2	52.7	-73.6	169.9	0	0	0	114.6	V310	V310-L312 HydrophobicContact CG1-CD1 4.23Å; V310-L312 HydrophobicContact CG1-CG 3.96Å
313	S	26.5	Very low	26.9	Very low	103 Å²	103	144 Å²	144	72%	0.72	74%	0.735	S	S	*	*			trans	69.4	115.9	-173.8	62.2	0	0	0	0	115.6
314	F	25.6	Very low	27	Very low	194 Å²	194	141.9 Å²	141.9	85%	0.851	73%	0.731	S	S	*	*				91.9	157.4	51.4	-78.2	-50.1	0	0	0	112
315	P	30.2	Very low	27	Very low	91 Å²	91	139.2 Å²	139.2	59%	0.591	72%	0.724	S	S	*	*			cis	-133.3	169.5	-33.1	37.8	-23	0	0	0	113.2
316	F	29.6	Very low	27.1	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.873	73%	0.73	S	S	*	*			trans	162.5	104.2	152.9	-92.5	-62.7	0	0	0	105.9
317	Q	24.5	Very low	27.2	Very low	142 Å²	142	138.8 Å²	138.8	66%	0.664	72%	0.724	S	S	*	*			cis	77.8	125.4	28.6	-147.2	-172.4	28.2	0	0	114.3
318	Y	26.6	Very low	27.4	Very low	203 Å²	203	134.5 Å²	134.5	80%	0.796	71%	0.708	S	S	*	*			trans	65.2	144	-171	-60.7	-89.9	0	0	0	114.3
319	S	27.2	Very low	27.3	Very low	99 Å²	99	133.6 Å²	133.6	69%	0.692	70%	0.701	S	S	*	*			cis	-170.9	147.4	-17	46.1	0	0	0	0	105.1
320	G	27.1	Very low	27.5	Very low	63 Å²	63	134.6 Å²	134.6	65%	0.649	70%	0.702	S	S	*	*				98.1	152.9	56.4	0	0	0	0	0	110.1
321	Y	27.3	Very low	27.6	Very low	215 Å²	215	138.5 Å²	138.5	84%	0.843	72%	0.72	S	S	*	*			trans	76.3	119.4	-167.4	-59.8	-87.4	0	0	0	114.5
322	Y	27.7	Very low	27.8	Very low	184 Å²	184	137.3 Å²	137.3	72%	0.722	71%	0.714	S	S	*	*			cis	80.2	91.5	42.7	-77.2	-74.1	0	0	0	114.8	N324	Y322-N324 HydrophobicContact CD1-CB 4.18Å; Y322-N324 PolarHBondContact O-N 3.3Å; Y322-N324 VanDerWaalsContact O-N 3.17Å
323	D	26.1	Very low	28	Very low	161 Å²	161	137.7 Å²	137.7	86%	0.861	71%	0.714	S	S	*	*	S	Bend	trans	-75.9	82.8	142.8	-83.8	-44.5	0	0	0	109.2
324	N	27.8	Very low	28.3	Very low	135 Å²	135	139.2 Å²	139.2	72%	0.722	71%	0.709	S	S	*	*			trans	-150	66	160.3	-100.9	-28	0	0	0	107.3	Y322 H326	Y322-N324 HydrophobicContact CD1-CB 4.18Å; Y322-N324 PolarHBondContact O-N 3.3Å; Y322-N324 VanDerWaalsContact O-N 3.17Å; N324-H326 PolarHBondContact O-N 3.25Å
325	C	27.1	Very low	28.5	Very low	101 Å²	101	138.3 Å²	138.3	68%	0.682	71%	0.705	S	S	*	*			trans	-84.2	95.9	-172.3	-76.6	0	0	0	0	112.6
326	H	28.2	Very low	28.5	Very low	186 Å²	186	137.8 Å²	137.8	86%	0.861	70%	0.703	S	S	*	*			trans	-148.6	147.3	139.7	-88.1	-60.7	0	0	0	109.7	N324	N324-H326 PolarHBondContact O-N 3.25Å
327	P	31.1	Very low	28.4	Very low	109 Å²	109	137 Å²	137	71%	0.708	70%	0.702	S	S	*	*			trans	-130.9	-170.1	-134.6	29.3	-6.9	0	0	0	116
328	I	26	Very low	28.5	Very low	86 Å²	86	134.1 Å²	134.1	44%	0.441	70%	0.698	S	S	.	*			trans	112	106.2	151.9	-58.9	178.4	0	0	0	117.2
329	T	29.1	Very low	28.8	Very low	102 Å²	102	132.1 Å²	132.1	63%	0.626	70%	0.695	S	S	*	*			trans	73.7	151.5	150.1	64.3	0	0	0	0	120.4
330	N	29.6	Very low	28.8	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	70%	0.699	S	S	*	*			cis	-162.2	153.4	-7	-117.4	-11	0	0	0	115.1
331	I	30.1	Very low	28.8	Very low	124 Å²	124	137.6 Å²	137.6	64%	0.636	70%	0.701	S	S	*	*			trans	71.6	109.3	136.9	-71	169.9	0	0	0	122.1
332	N	30.7	Very low	28.9	Very low	125 Å²	125	133 Å²	133	67%	0.668	69%	0.691	S	S	*	*			trans	72.8	153.1	132	-66	4.7	0	0	0	122.1
333	M	29.7	Very low	28.9	Very low	140 Å²	140	130.9 Å²	130.9	69%	0.69	69%	0.692	S	S	*	*			cis	-158.9	149.1	0.8	-125.9	167.4	179.6	0	0	115.3
334	H	33.8	Very low	29	Very low	135 Å²	135	128.8 Å²	128.8	63%	0.625	69%	0.69	S	S	*	*			trans	47.7	120.6	141.3	-73.3	-15.4	0	0	0	123.2
335	K	29.8	Very low	29.2	Very low	176 Å²	176	128.1 Å²	128.1	77%	0.765	70%	0.696	S	S	*	*				93.1	154.3	89.7	-81.3	-173.1	174.1	-173.2	0	114
336	S	30	Very low	29.1	Very low	79 Å²	79	130.5 Å²	130.5	55%	0.552	70%	0.702	S	S	*	*			cis	-175.8	146.1	-14.9	48.4	0	0	0	0	111.1
337	E	26.3	Very low	29	Very low	183 Å²	183	127.6 Å²	127.6	86%	0.855	70%	0.697	S	S	*	*			trans	61	159.2	152	-73.3	151.7	-141.7	0	0	118.7
338	S	27.1	Very low	28.7	Very low	82 Å²	82	128.4 Å²	128.4	57%	0.573	70%	0.7	S	S	*	*			cis	-167.4	-177.5	-13.7	48.4	0	0	0	0	110.6
339	H	32.3	Very low	28.7	Very low	160 Å²	160	130.1 Å²	130.1	74%	0.741	71%	0.714	S	S	*	*			trans	71.8	105.7	169.7	-53.4	-70.8	0	0	0	118.8
340	I	27	Very low	28.7	Very low	148 Å²	148	130.5 Å²	130.5	76%	0.759	72%	0.717	S	S	*	*				72.9	121.2	71.5	-63.4	177.2	0	0	0	115.4
341	N	27.9	Very low	28.5	Very low	130 Å²	130	130 Å²	130	70%	0.695	72%	0.718	S	S	*	*			trans	92	136.1	155.1	-89.2	38.5	0	0	0	124.9
342	D	30.3	Very low	28.4	Very low	118 Å²	118	129.5 Å²	129.5	63%	0.631	72%	0.721	S	S	*	*			trans	71.4	100.4	141.7	-58.3	-28.2	0	0	0	124.1
343	N	27.3	Very low	28.3	Very low	139 Å²	139	129.3 Å²	129.3	74%	0.743	73%	0.725	S	S	*	*				71.5	122.9	124	-67.5	-40.7	0	0	0	122.9
344	S	27.2	Very low	28.4	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	73%	0.725	S	S	*	*			trans	63.1	106.9	142.4	62.1	0	0	0	0	119.9
345	S	31.6	Very low	28.2	Very low	121 Å²	121	126.8 Å²	126.8	85%	0.846	72%	0.723	S	S	*	*			trans	-149.1	150.3	145.2	49.2	0	0	0	0	110.6
346	N	25.8	Very low	28.2	Very low	150 Å²	150	128.9 Å²	128.9	80%	0.802	73%	0.726	S	S	*	*			trans	-89.5	178.7	175.5	-70.9	-44.5	0	0	0	110.8
347	T	27	Very low	28.2	Very low	126 Å²	126	130 Å²	130	77%	0.773	73%	0.73	S	S	*	*			trans	67.1	117.5	166.7	46.2	0	0	0	0	115.7
348	V	24.3	Very low	28.4	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	73%	0.726	S	S	*	*				75.9	151.5	72.1	170.6	0	0	0	0	112.1
349	T	26.4	Very low	28.5	Very low	122 Å²	122	132.9 Å²	132.9	75%	0.748	73%	0.731	S	S	*	*			trans	66.2	140.4	-178	28.1	0	0	0	0	114.9
350	T	28	Very low	28.5	Very low	110 Å²	110	131.1 Å²	131.1	68%	0.675	73%	0.727	S	S	*	*			cis	-162	148.9	-15.5	6.2	0	0	0	0	107.5
351	V	26.3	Very low	28.8	Very low	119 Å²	119	129.6 Å²	129.6	72%	0.721	72%	0.72	S	S	*	*				39.5	124.8	98.7	-161.2	0	0	0	0	112.7
352	T	26.8	Very low	28.7	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	73%	0.728	S	S	*	*				-175.1	173.6	74.1	-41.5	0	0	0	0	112.4
353	T	30	Very low	28.8	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	73%	0.727	S	S	*	*			trans	90.2	138.4	161.7	73.1	0	0	0	0	116.5
354	T	31	Very low	28.7	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	73%	0.73	S	S	*	*			cis	-154.6	165.1	-7	7.7	0	0	0	0	107.7
355	N	30.5	Very low	28.8	Very low	108 Å²	108	137.9 Å²	137.9	58%	0.578	73%	0.734	S	S	*	*			cis	-160.8	141.8	27.9	-121.1	-33.9	0	0	0	110.7
356	R	28.7	Very low	28.6	Very low	219 Å²	219	140 Å²	140	83%	0.826	73%	0.731	S	S	*	*			trans	50.9	141.1	132.3	-71.2	175.6	-173.8	161	2.6	120.4
357	V	29.9	Very low	28.6	Very low	104 Å²	104	139.3 Å²	139.3	63%	0.63	73%	0.727	S	S	*	*			cis	-162.2	156.4	13	88	0	0	0	0	112.4
358	Y	31.1	Very low	28.8	Very low	200 Å²	200	141.6 Å²	141.6	78%	0.784	73%	0.734	S	S	*	*			trans	61	156.9	166.4	-65.9	-38.1	0	0	0	119.3
359	N	30	Very low	29.1	Very low	125 Å²	125	138.6 Å²	138.6	67%	0.668	73%	0.729	S	S	*	*			cis	-174	146.7	-44.7	-117.9	42.5	0	0	0	109.1
360	N	31.8	Very low	29.3	Very low	122 Å²	122	140 Å²	140	65%	0.652	73%	0.73	S	S	*	*			trans	63.3	168.1	156.6	-59.8	43.6	0	0	0	117.5
361	D	32.3	Very low	29.4	Very low	116 Å²	116	141.1 Å²	141.1	62%	0.62	73%	0.732	S	S	*	*			cis	-162.1	128.9	-40.6	-94	-34.7	0	0	0	109.8
362	Y	26	Very low	29.6	Very low	218 Å²	218	140 Å²	140	86%	0.855	72%	0.722	S	S	*	*			trans	49.1	-160.5	153.2	-74.8	-88.5	0	0	0	116.9
363	P	33.6	Very low	29.7	Very low	96 Å²	96	144.3 Å²	144.3	62%	0.623	73%	0.726	S	S	*	*				-133.9	-179.1	-97.9	42.9	-24.8	0	0	0	116.3
364	I	24.3	Very low	29.8	Very low	155 Å²	155	144.6 Å²	144.6	80%	0.795	72%	0.722	S	S	*	*			trans	35.9	124.6	147.8	-61.1	157.4	0	0	0	118.3
365	K	30	Very low	29.7	Very low	211 Å²	211	143.6 Å²	143.6	92%	0.917	72%	0.717	S	S	*	*			trans	-135.6	108.8	152.7	-73.1	-166.5	176	-174.5	0	112.4
366	E	27.1	Very low	29.7	Very low	166 Å²	166	145.3 Å²	145.3	78%	0.776	72%	0.721	S	S	*	*			trans	-116.1	143.1	149.9	-84.4	-158.6	130.1	0	0	109.1
367	N	26.3	Very low	29.8	Very low	135 Å²	135	141.8 Å²	141.8	72%	0.722	71%	0.714	S	S	*	*			trans	52.6	92.8	151.2	-57.8	-36.8	0	0	0	120.4
368	D	31.5	Very low	29.6	Very low	173 Å²	173	146.1 Å²	146.1	93%	0.925	73%	0.725	S	S	*	*			trans	-164.1	134.5	132.2	-102.1	-29.3	0	0	0	108.1
369	G	30.3	Very low	29.8	Very low	63 Å²	63	141.1 Å²	141.1	65%	0.649	72%	0.717	S	S	*	*			cis	173.4	173.2	-9.3	0	0	0	0	0	112.1
370	I	29.7	Very low	29.6	Very low	150 Å²	150	141 Å²	141	77%	0.769	72%	0.721	S	S	*	*			trans	75.8	128.9	153.3	-61.1	169.6	0	0	0	119.7
371	N	30	Very low	29.4	Very low	134 Å²	134	145 Å²	145	72%	0.717	73%	0.726	S	S	*	*			trans	69.2	141.9	163.6	-68.6	-24.5	0	0	0	118.6
372	N	30.1	Very low	29.1	Very low	97 Å²	97	144.7 Å²	144.7	52%	0.519	72%	0.724	S	S	.	*			cis	-163.3	137.2	-7.9	-120.4	-34.2	0	0	0	110.6
373	R	30.1	Very low	29.2	Very low	204 Å²	204	141.3 Å²	141.3	77%	0.77	72%	0.716	S	S	*	*			trans	64	147	144.1	-62.9	168	-158.6	-167.7	-0.4	117.8
374	N	30.9	Very low	28.9	Very low	126 Å²	126	142.7 Å²	142.7	67%	0.674	72%	0.717	S	S	*	*			cis	-164.4	144.3	3.8	-125.8	16.8	0	0	0	112.4
375	T	29.6	Very low	29.1	Very low	94 Å²	94	143 Å²	143	58%	0.577	72%	0.717	S	S	*	*			trans	46.8	147.9	133.3	61.6	0	0	0	0	122.5
376	Q	30.8	Very low	29.2	Very low	143 Å²	143	137.3 Å²	137.3	67%	0.668	70%	0.704	S	S	*	*			cis	-170.4	159.1	1.9	-114.6	160.1	4.4	0	0	111.6
377	Q	29.8	Very low	29.3	Very low	146 Å²	146	135.9 Å²	135.9	68%	0.682	70%	0.701	S	S	*	*			trans	56.8	131.4	144	-67.2	153.5	0.9	0	0	120.4
378	F	25.5	Very low	29.6	Very low	195 Å²	195	133.6 Å²	133.6	86%	0.855	70%	0.696	S	S	*	*				65.3	145.4	54.4	-76.6	-85.1	0	0	0	114.2
379	P	35.4	Very low	29.7	Very low	95 Å²	95	131.4 Å²	131.4	62%	0.617	68%	0.684	S	S	*	*			cis	-144.7	-158.1	-46.8	38.8	-18.7	0	0	0	113
380	T	27.7	Very low	29.8	Very low	123 Å²	123	134 Å²	134	76%	0.755	68%	0.683	S	S	*	*			trans	69.6	163.2	155.9	46.8	0	0	0	0	117.7
381	R	26.5	Very low	29.9	Very low	204 Å²	204	133.4 Å²	133.4	77%	0.77	68%	0.682	S	S	*	*			cis	-154.3	148.4	3.1	-138.5	179.4	163.8	177.9	-9.9	112.2
382	L	26.2	Very low	29.9	Very low	110 Å²	110	133.4 Å²	133.4	58%	0.576	68%	0.682	S	S	*	*			trans	52	134.4	139.4	-105	54.7	0	0	0	123.7
383	H	27.6	Very low	30	Very low	147 Å²	147	133.1 Å²	133.1	68%	0.681	69%	0.687	S	S	*	*				96.9	133	122.4	-89.5	-18.5	0	0	0	123.5
384	I	28.2	Very low	30.1	Very low	125 Å²	125	129.6 Å²	129.6	64%	0.641	68%	0.684	S	S	*	*			trans	75.5	140.7	134.3	-69.3	169.8	0	0	0	114.6
385	M	28.9	Very low	30.1	Very low	162 Å²	162	129.1 Å²	129.1	80%	0.798	68%	0.681	S	S	*	*			cis	-155.6	148.4	33.2	-148.7	137.6	-174	0	0	112.8
386	S	30.4	Very low	30.3	Very low	92 Å²	92	130 Å²	130	64%	0.643	68%	0.683	S	S	*	*			trans	60.2	158.2	140.8	-75.1	0	0	0	0	121.5
387	N	29.7	Very low	30.2	Very low	135 Å²	135	129.9 Å²	129.9	72%	0.722	69%	0.686	S	S	*	*			cis	-159	163.5	-9.9	-121.8	19	0	0	0	111.3
388	S	32.9	Very low	30.3	Very low	87 Å²	87	126.1 Å²	126.1	61%	0.608	69%	0.687	S	S	*	*			trans	45.9	145.4	139.1	-69	0	0	0	0	122.4
389	N	33.2	Very low	30.6	Very low	127 Å²	127	125.8 Å²	125.8	68%	0.679	69%	0.685	S	S	*	*			cis	-158.5	147.1	6.3	-115.4	-0.1	0	0	0	112.1
390	N	32.5	Very low	30.1	Very low	117 Å²	117	130.9 Å²	130.9	63%	0.626	70%	0.698	S	S	*	*			trans	31.7	118	134.3	-62.8	-9.6	0	0	0	119
391	N	31.7	Very low	30.3	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	70%	0.7	S	S	*	*				72.4	148.8	88.1	-53.9	-21.1	0	0	0	112.9
392	N	30.9	Very low	30.3	Very low	133 Å²	133	130.1 Å²	130.1	71%	0.711	70%	0.704	S	S	*	*			cis	-163.7	157.3	27.9	-155	8.4	0	0	0	112.3
393	S	31.4	Very low	30.3	Very low	91 Å²	91	129.9 Å²	129.9	64%	0.636	71%	0.707	S	S	*	*			trans	68.9	153.9	146.5	83.2	0	0	0	0	118.1
394	N	31.4	Very low	30.2	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	71%	0.706	S	S	*	*			cis	-165.9	157.6	-7	-118.5	13.4	0	0	0	111.3
395	N	32.4	Very low	30.3	Very low	116 Å²	116	129.6 Å²	129.6	62%	0.62	71%	0.707	S	S	*	*			trans	66.2	151.9	141	-65.9	29.8	0	0	0	120.2
396	D	33.2	Very low	30.2	Very low	114 Å²	114	129 Å²	129	61%	0.61	70%	0.702	S	S	*	*			cis	-160.6	149.5	-11.5	-113.9	-15.7	0	0	0	115.5
397	N	29.1	Very low	30.2	Very low	139 Å²	139	130.7 Å²	130.7	74%	0.743	70%	0.704	S	S	*	*			trans	28.5	133.1	135.8	-66.7	-48.9	0	0	0	123.8
398	G	31.4	Very low	30.2	Very low	68 Å²	68	130 Å²	130	70%	0.701	70%	0.701	S	S	*	*			trans	165.6	89.4	149.1	0	0	0	0	0	115.8
399	K	31.2	Very low	30.1	Very low	188 Å²	188	133.1 Å²	133.1	82%	0.817	71%	0.708	S	S	*	*				59.6	110.1	94	-67.8	175.6	-177	169.7	0	114.5
400	K	26.1	Very low	29.9	Very low	202 Å²	202	135.5 Å²	135.5	88%	0.878	72%	0.715	S	S	*	*				81.8	94	71.1	-82	-171.1	174.8	-176.1	0	115.9
401	S	32.2	Very low	29.8	Very low	115 Å²	115	134.4 Å²	134.4	80%	0.804	72%	0.716	S	S	*	*			trans	171.5	133.4	147.2	46.2	0	0	0	0	108
402	K	25.4	Very low	29.7	Very low	195 Å²	195	134.4 Å²	134.4	85%	0.848	72%	0.716	S	S	*	*			cis	77	129.4	12.6	-138.8	-166.2	-176.9	-175.9	0	115.9
403	V	26.4	Very low	29.4	Very low	106 Å²	106	132.7 Å²	132.7	64%	0.642	71%	0.714	S	S	*	*			trans	95	121	156.8	-176.4	0	0	0	0	118.4
404	N	26.7	Very low	29.3	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	72%	0.723	S	S	*	*			trans	69.6	155.2	152.9	-67.9	7	0	0	0	120.3
405	Q	29.5	Very low	29	Very low	141 Å²	141	137.8 Å²	137.8	66%	0.659	73%	0.733	S	S	*	*			cis	-158.7	130.6	-13.7	-112.4	166.6	-41.1	0	0	107.7
406	Q	27.4	Very low	28.6	Very low	148 Å²	148	137.7 Å²	137.7	69%	0.692	74%	0.741	S	S	*	*				91.4	160.9	87.9	-170	170.9	-11.9	0	0	113.1
407	N	29.6	Very low	28.4	Very low	129 Å²	129	139.3 Å²	139.3	69%	0.69	75%	0.749	S	S	*	*			trans	83.3	131.2	-175.3	-59.5	47.5	0	0	0	114.9
408	D	30	Very low	28.1	Very low	121 Å²	121	138.2 Å²	138.2	65%	0.647	75%	0.751	S	S	*	*			cis	-155.6	154.8	-10.3	-97.3	-36.5	0	0	0	111.9
409	M	30.9	Very low	28.4	Very low	152 Å²	152	142.2 Å²	142.2	75%	0.749	76%	0.756	S	S	*	*			trans	57.1	113.1	164.8	-68.4	-174.2	-76	0	0	119.1
410	E	28.4	Very low	28.2	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	76%	0.759	S	S	*	*				78.2	134.1	102.1	-69.8	-175.4	162.7	0	0	115.2
411	S	31.1	Very low	28.6	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	75%	0.751	S	S	*	*			cis	-161.2	168.6	-8.2	59.7	0	0	0	0	111.5
412	N	29.1	Very low	28.4	Very low	139 Å²	139	133.6 Å²	133.6	74%	0.743	74%	0.742	S	S	*	*			trans	55.4	95.1	154.1	-59.4	-17	0	0	0	121
413	S	25.3	Very low	28.7	Very low	97 Å²	97	127 Å²	127	68%	0.678	72%	0.718	S	S	*	*				40	150.7	115	66.4	0	0	0	0	123.4
414	T	27.8	Very low	28.8	Very low	135 Å²	135	127.3 Å²	127.3	83%	0.828	72%	0.721	S	S	*	*			trans	94.6	137.5	165.2	66.3	0	0	0	0	117.1
415	E	25.3	Very low	29.1	Very low	193 Å²	193	124.6 Å²	124.6	90%	0.902	71%	0.708	S	S	*	*			trans	-82.9	144.7	-170.2	-58.1	147.3	131.6	0	0	111.1
416	C	24.6	Very low	29.2	Very low	115 Å²	115	124.6 Å²	124.6	78%	0.777	72%	0.718	S	S	*	*			trans	-148.1	114.9	167.2	45.5	0	0	0	0	112.3
417	L	28.5	Very low	29.5	Very low	148 Å²	148	122.4 Å²	122.4	78%	0.775	72%	0.715	S	S	*	*			trans	-69.8	133.2	153.3	-74.6	68.4	0	0	0	108
418	C	24.3	Very low	29.6	Very low	116 Å²	116	123.3 Å²	123.3	78%	0.784	72%	0.718	S	S	*	*			trans	-168.3	152.6	141.7	52.3	0	0	0	0	113
419	N	36.1	Very low	29.8	Very low	152 Å²	152	123.3 Å²	123.3	81%	0.813	72%	0.723	S	S	*	*			trans	-72.5	166	166.3	-56	-36.9	0	0	0	111
420	A	27.2	Very low	29.8	Very low	107 Å²	107	122.9 Å²	122.9	88%	0.884	72%	0.724	S	S	*	*			trans	-122.5	133.4	167.8	0	0	0	0	0	110.5
421	T	34	Very low	30.2	Very low	116 Å²	116	119.2 Å²	119.2	71%	0.712	72%	0.718	S	S	*	*			trans	-139.5	169.8	-158	-28	0	0	0	0	114
422	T	28.3	Very low	30.2	Very low	101 Å²	101	119.7 Å²	119.7	62%	0.62	72%	0.721	S	S	*	*			trans	-150.4	115.5	-177.9	37.6	0	0	0	0	113.5	N457	T422-N457 VanDerWaalsContact C-OD1 3.23Å; T422-N457 VanDerWaalsContact CA-OD1 3.26Å; T422-N457 WeakPolarHBondContact CA-OD1 3.32Å; T422-N457 WeakPolarHBondContact CB-OD1 3.3Å
423	T	32.2	Very low	30.3	Very low	56 Å²	56	118.9 Å²	118.9	34%	0.344	72%	0.721	S	S	.	*			trans	-154.1	167.2	163.3	178.8	0	0	0	0	110.5	P455 S456 N457	T423-P455 WeakPolarHBondContact CG2-O 3.36Å; T423-S456 CarbonylContact O-C 3.49Å; T423-S456 WeakPolarHBondContact O-CA 3.34Å; T423-S456 WeakPolarHBondContact O-CB 3.27Å; T423-N457 PolarHBondContact N-OD1 3.45Å; T423-N457 WeakPolarHBondContact O-CB 3.35Å; T423-N457 PolarHBondContact O-N 3.43Å; T423-N457 PolarHBondContact O-ND2 3.49Å; T423-N457 PolarHBondContact O-OD1 3.41Å
424	T	29	Very low	30.7	Very low	113 Å²	113	123.5 Å²	123.5	69%	0.693	73%	0.729	S	S	*	*			trans	-83.3	156.3	-156.3	-58.2	0	0	0	0	116	N457	T424-N457 PolarHBondContact N-ND2 3.38Å; T424-N457 PolarHBondContact OG1-ND2 3.48Å; T424-N457 VanDerWaalsContact OG1-ND2 3.13Å
425	T	32	Very low	30.8	Very low	67 Å²	67	122.3 Å²	122.3	41%	0.411	73%	0.726	S	S	.	*			trans	-103.8	126.7	-165.6	-48.5	0	0	0	0	115.2	T427 S456	T425-T427 HydrophobicContact CG2-CG2 4.11Å; T425-S456 VanDerWaalsContact OG1-CB 3.29Å; T425-S456 WeakPolarHBondContact OG1-CB 3.2Å; T425-S456 PolarHBondContact OG1-OG 3.33Å; T425-S456 VanDerWaalsContact OG1-OG 3.06Å
426	T	33	Very low	31.3	Very low	141 Å²	141	124.5 Å²	124.5	87%	0.865	73%	0.726	S	S	*	*			trans	-150.7	158.8	150.7	19.1	0	0	0	0	109.8
427	T	32.9	Very low	31.6	Very low	102 Å²	102	130.8 Å²	130.8	63%	0.626	73%	0.733	S	S	*	*			trans	-157.5	163	-158.6	58.6	0	0	0	0	114.4	T425	T425-T427 HydrophobicContact CG2-CG2 4.11Å
428	I	31.2	Very low	31.8	Very low	148 Å²	148	128.9 Å²	128.9	76%	0.759	73%	0.732	S	S	*	*			trans	74.8	132.2	154.9	-70.7	159.1	0	0	0	115.1
429	T	34	Very low	32.3	Very low	122 Å²	122	132.6 Å²	132.6	75%	0.748	74%	0.735	S	S	*	*			cis	-169.2	171	-2.8	28.4	0	0	0	0	108.6
430	N	31.7	Very low	32	Very low	143 Å²	143	130.2 Å²	130.2	77%	0.765	73%	0.729	S	S	*	*			cis	172.4	169.5	-24.9	-177.3	19.5	0	0	0	109.3
431	S	36.8	Very low	32.5	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	72%	0.724	S	S	*	*			trans	78.8	155.3	162.8	87.4	0	0	0	0	119.5
432	S	31.5	Very low	32.6	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	73%	0.727	S	S	*	*			cis	-172.9	149.7	-28.7	61	0	0	0	0	117
433	V	31.4	Very low	32.8	Very low	122 Å²	122	134.3 Å²	134.3	74%	0.739	74%	0.735	S	S	*	*			trans	65.4	138	152.3	-128.3	0	0	0	0	125.9
434	K	33.6	Very low	32.8	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	76%	0.758	S	S	*	*			trans	102.4	134.5	148.9	-63.6	155.9	-170.4	166.1	0	117.3
435	S	30.2	Very low	32.7	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	77%	0.766	S	S	*	*			cis	127.5	112.6	-16.5	-173.5	0	0	0	0	115.9
436	R	35	Very low	32.6	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.906	78%	0.782	S	S	*	*			trans	170.1	115	152.4	-93.2	156.5	-169	-152.9	3.4	107.5
437	R	30	Very low	32.4	Very low	246 Å²	246	147.1 Å²	147.1	93%	0.928	77%	0.77	S	S	*	*				72.3	125.7	53	-157.7	-175.8	-155.1	-161.8	9.2	112
438	S	34.3	Very low	32.2	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	78%	0.782	S	S	*	*			cis	-113.7	-146.2	5.5	60.8	0	0	0	0	111.3
439	K	34.6	Very low	31.9	Very low	195 Å²	195	152.2 Å²	152.2	85%	0.848	79%	0.788	S	S	*	*			cis	-154.4	158.1	11.5	-161.2	-177.9	178.5	-175.1	0	110.5
440	C	29.9	Very low	31.6	Very low	101 Å²	101	153.3 Å²	153.3	68%	0.682	79%	0.789	S	S	*	*			trans	-159	155.3	172.1	-169.9	0	0	0	0	109.8
441	P	36.9	Very low	31.3	Very low	119 Å²	119	150.8 Å²	150.8	77%	0.773	78%	0.782	S	S	*	*				-144.6	171.2	107.9	38.3	-24.6	0	0	0	113.3
442	K	36	Very low	30.8	Very low	179 Å²	179	152.9 Å²	152.9	78%	0.778	78%	0.784	S	S	*	*			cis	159.6	109.5	-32	-109.1	-166.6	175.2	-168.9	0	107.2
443	S	33.5	Very low	30.6	Very low	112 Å²	112	155.2 Å²	155.2	78%	0.783	79%	0.789	S	S	*	*			trans	-161.9	82.6	144	57.8	0	0	0	0	108.3
444	L	31.1	Very low	30.6	Very low	157 Å²	157	156.7 Å²	156.7	82%	0.822	79%	0.787	S	S	*	*				82.9	73.4	103.9	-77	166.2	0	0	0	114.4
445	K	27.8	Very low	30.4	Very low	199 Å²	199	152.4 Å²	152.4	87%	0.865	78%	0.779	S	S	*	*			trans	-110.5	149.6	139	-66.3	180	179.4	178.8	0	107.5
446	Y	28.9	Very low	30.4	Very low	192 Å²	192	149.6 Å²	149.6	75%	0.753	76%	0.759	S	S	*	*			trans	-136.9	124	161.8	-103.3	-106.5	0	0	0	105.4
447	T	28.8	Very low	30.2	Very low	98 Å²	98	140.1 Å²	140.1	60%	0.601	73%	0.727	S	S	*	*				50.8	105.8	63.4	64.4	0	0	0	0	111
448	Q	28.3	Very low	30.1	Very low	191 Å²	191	133.2 Å²	133.2	89%	0.893	71%	0.712	S	S	*	*			cis	53.8	101.1	47.2	-150.9	-172.3	31.1	0	0	111.6
449	L	26.7	Very low	29.8	Very low	167 Å²	167	132.3 Å²	132.3	87%	0.874	71%	0.706	S	S	*	*			trans	-135.5	161.4	170	-101.7	168.3	0	0	0	108.8
450	N	27.2	Very low	29.4	Very low	144 Å²	144	134 Å²	134	77%	0.77	71%	0.707	S	S	*	*			trans	-154.9	173.5	-157.5	-162.2	9.7	0	0	0	111.3
451	C	24.3	Very low	29.1	Very low	91 Å²	91	133.4 Å²	133.4	62%	0.615	70%	0.704	S	S	*	*			trans	84.8	122.6	157.3	-58.2	0	0	0	0	121.7
452	L	25.9	Very low	28.6	Very low	144 Å²	144	135.1 Å²	135.1	75%	0.754	70%	0.701	S	S	*	*			trans	67.9	128.4	130.5	-85.4	60.8	0	0	0	120.3
453	N	28.8	Very low	28.1	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	70%	0.703	S	S	*	*				-165.6	169.2	63.8	-89.5	-54.4	0	0	0	114.7
454	Q	31.6	Very low	27.7	Very low	153 Å²	153	133.3 Å²	133.3	72%	0.715	69%	0.692	S	S	*	*			trans	-97.5	168.3	172.2	-60	-178.8	-9.4	0	0	112.4
455	P	29.6	Very low	27.4	Very low	102 Å²	102	134 Å²	134	66%	0.662	69%	0.691	S	S	*	*				-151.2	-119	94.9	40.9	-19.1	0	0	0	115.7	T423	T423-P455 WeakPolarHBondContact CG2-O 3.36Å
456	S	29.7	Very low	27.5	Very low	51 Å²	51	131.7 Å²	131.7	36%	0.357	69%	0.687	S	S	.	*				-149.4	137.8	-120.9	59.2	0	0	0	0	124	T423 T425	T423-S456 CarbonylContact O-C 3.49Å; T423-S456 WeakPolarHBondContact O-CA 3.34Å; T423-S456 WeakPolarHBondContact O-CB 3.27Å; T425-S456 VanDerWaalsContact OG1-CB 3.29Å; T425-S456 WeakPolarHBondContact OG1-CB 3.2Å; T425-S456 PolarHBondContact OG1-OG 3.33Å; T425-S456 VanDerWaalsContact OG1-OG 3.06Å
457	N	30.2	Very low	27.2	Very low	41 Å²	41	131.3 Å²	131.3	22%	0.219	69%	0.69	C	S	.	*			trans	123.8	155.5	137.4	-72.7	-0.4	0	0	0	116.4	T422 T423 T424	T422-N457 VanDerWaalsContact C-OD1 3.23Å; T422-N457 VanDerWaalsContact CA-OD1 3.26Å; T422-N457 WeakPolarHBondContact CA-OD1 3.32Å; T422-N457 WeakPolarHBondContact CB-OD1 3.3Å; T423-N457 PolarHBondContact N-OD1 3.45Å; T423-N457 WeakPolarHBondContact O-CB 3.35Å; T423-N457 PolarHBondContact O-N 3.43Å; T423-N457 PolarHBondContact O-ND2 3.49Å; T423-N457 PolarHBondContact O-OD1 3.41Å; T424-N457 PolarHBondContact N-ND2 3.38Å; T424-N457 PolarHBondContact OG1-ND2 3.48Å; T424-N457 VanDerWaalsContact OG1-ND2 3.13Å
458	T	28.2	Very low	27	Very low	101 Å²	101	133 Å²	133	62%	0.62	70%	0.695	S	S	*	*			cis	-158.6	127.2	-13.1	-25.7	0	0	0	0	111.9
459	S	26.8	Very low	27.1	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	70%	0.695	S	S	*	*			trans	54.8	149.2	135.9	69.2	0	0	0	0	125.1
460	R	26.2	Very low	27	Very low	231 Å²	231	130.5 Å²	130.5	87%	0.872	69%	0.689	S	S	*	*			trans	70.5	110.7	158.5	-84.8	179	175.6	166.3	-1.5	114.8
461	S	24.9	Very low	27.2	Very low	87 Å²	87	133.5 Å²	133.5	61%	0.608	70%	0.696	S	S	*	*				83.8	150.6	84.5	76.2	0	0	0	0	111.1
462	E	26.9	Very low	27.3	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	70%	0.701	S	S	*	*			cis	-126.4	168.1	16	-112	105.4	-108.4	0	0	113.1
463	E	24.7	Very low	27.4	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	71%	0.708	S	S	*	*				1.5	144.1	125.7	-69.5	175.7	-173.1	0	0	117
464	S	24.3	Very low	27.5	Very low	81 Å²	81	138.7 Å²	138.7	57%	0.566	71%	0.709	S	S	*	*			cis	175.9	-166.9	11.5	47.2	0	0	0	0	109.8
465	H	26.4	Very low	27.3	Very low	171 Å²	171	143.3 Å²	143.3	79%	0.792	72%	0.72	S	S	*	*			trans	79.5	157.2	148.9	-71.7	-39.4	0	0	0	121.4
466	L	28.4	Very low	27.5	Very low	151 Å²	151	143.4 Å²	143.4	79%	0.791	72%	0.724	S	S	*	*			trans	68.1	78.6	155.8	-71.7	157.8	0	0	0	118.9
467	F	23.8	Very low	27.7	Very low	185 Å²	185	148.9 Å²	148.9	81%	0.811	75%	0.749	S	S	*	*				-21.7	144.9	116.6	-114.2	-97.3	0	0	0	114.3
468	N	24.1	Very low	28.1	Very low	133 Å²	133	152 Å²	152	71%	0.711	77%	0.766	S	S	*	*			trans	80.5	101	177	-51.1	-43	0	0	0	116.8
469	T	29.6	Very low	28.5	Very low	143 Å²	143	151 Å²	151	88%	0.877	78%	0.775	S	S	*	*				-132.8	132.4	121.5	-47.6	0	0	0	0	108.6
470	Q	26.1	Very low	29.3	Very low	162 Å²	162	153.5 Å²	153.5	76%	0.757	78%	0.775	S	S	*	*			trans	-78.2	141.7	177.6	-63	162.5	-26.8	0	0	109.6
471	F	30.2	Very low	30.1	Very low	208 Å²	208	147.9 Å²	147.9	91%	0.912	76%	0.758	S	S	*	*			trans	-131.1	122.1	141.5	-107.3	-81.5	0	0	0	109.8
472	T	25.8	Very low	30.7	Very low	117 Å²	117	151.7 Å²	151.7	72%	0.718	77%	0.766	S	S	*	*			trans	-89.7	141.7	-179.3	49.6	0	0	0	0	109.8
473	M	29.9	Very low	31.1	Very low	183 Å²	183	154.1 Å²	154.1	90%	0.901	77%	0.769	S	S	*	*			trans	-160.7	136.3	138.8	-90.1	-137.6	-90.2	0	0	111.6
474	K	29.3	Very low	32	Very low	195 Å²	195	150 Å²	150	85%	0.848	76%	0.756	S	S	*	*			trans	-7.7	125.5	176.3	-72.4	176.8	171.2	178.9	0	119.4
475	W	28.5	Very low	33	Very low	250 Å²	250	152.9 Å²	152.9	95%	0.947	76%	0.76	S	S	*	*			trans	-76.7	149.9	147.3	-69.2	81.1	0	0	0	110.7
476	S	33.1	Very low	33.5	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	76%	0.758	S	S	*	*			trans	-152	151.3	163.3	-67.4	0	0	0	0	108.3
477	D	33.7	Very low	34.1	Very low	165 Å²	165	151.1 Å²	151.1	88%	0.882	75%	0.749	S	S	*	*	S	Bend	trans	-57.5	127.6	-157.1	-67.6	-80.3	0	0	0	117.6
478	D	38.7	Very low	34.7	Very low	107 Å²	107	150.9 Å²	150.9	57%	0.572	75%	0.747	S	S	*	*			trans	-149.6	30.3	148.6	-139.8	-26	0	0	0	113.7	K480 Q481	D478-K480 PolarHBondContact O-N 3.11Å; D478-Q481 PolarHBondContact OD1-NE2 2.84Å; D478-Q481 PolarHBondContact OD2-NE2 3.4Å
479	G	37.8	Very low	35.1	Very low	79 Å²	79	152.6 Å²	152.6	81%	0.814	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	19.3	-170.1	0	0	0	0	0	117.1
480	K	42.7	Very low	35.3	Very low	143 Å²	143	152.8 Å²	152.8	62%	0.622	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	-16.5	-174.2	-71.2	-174	172.5	-175.3	0	115.6	H213 D478	H213-K480 WeakPolarHBondContact NE2-CE 3.45Å; H213-K480 PolarHBondContact NE2-NZ 2.73Å; D478-K480 PolarHBondContact O-N 3.11Å
481	Q	42.4	Very low	35.6	Very low	114 Å²	114	147.5 Å²	147.5	53%	0.533	74%	0.737	S	S	.	*	S	Bend	trans	-90.1	-32.9	-173.1	-57.8	-165.1	62.1	0	0	114.4	D478 R483 T484	D478-Q481 PolarHBondContact OD1-NE2 2.84Å; D478-Q481 PolarHBondContact OD2-NE2 3.4Å; Q481-R483 VanDerWaalsContact C-N 3.32Å; Q481-R483 PolarHBondContact O-N 3.47Å; Q481-T484 PolarHBondContact O-N 2.87Å; Q481-T484 PolarHBondContact O-OG1 3.05Å; Q481-T484 VanDerWaalsContact O-OG1 3.07Å
482	Q	38.8	Very low	36.3	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	73%	0.731	S	S	*	*	H	α-helix	trans	-67.7	-29.1	-177.6	-66.5	-175.3	-2.9	0	0	113.6	K486	Q482-K486 PolarHBondContact O-N 2.7Å
483	R	35.7	Very low	38	Very low	206 Å²	206	145 Å²	145	78%	0.777	73%	0.729	S	S	*	*	H	α-helix	trans	-69.6	-33.1	-178.9	-168.9	170.9	-180	168.6	-0.7	112.5	Q481 L487	Q481-R483 VanDerWaalsContact C-N 3.32Å; Q481-R483 PolarHBondContact O-N 3.47Å; R483-L487 HydrophobicContact CG-CD1 4.5Å; R483-L487 WeakPolarHBondContact O-CD1 3.36Å; R483-L487 PolarHBondContact O-N 3.46Å
484	T	43.3	Very low	39.9	Very low	87 Å²	87	141.8 Å²	141.8	53%	0.534	71%	0.71	S	S	.	*	H	α-helix	trans	-77.6	-33.5	179.7	17.5	0	0	0	0	113	Q481 K488	Q481-T484 PolarHBondContact O-N 2.87Å; Q481-T484 PolarHBondContact O-OG1 3.05Å; Q481-T484 VanDerWaalsContact O-OG1 3.07Å; T484-K488 PolarHBondContact O-N 3.17Å; T484-K488 VanDerWaalsContact O-N 3.15Å
485	Q	44	Very low	42.3	Very low	140 Å²	140	133.2 Å²	133.2	65%	0.654	67%	0.673	S	S	*	*	H	α-helix	trans	-70	-42.2	172.9	-66.3	-175.8	-1.8	0	0	111.4	L487 K488 M489	Q485-L487 PolarHBondContact O-N 2.84Å; Q485-K488 PolarHBondContact O-N 2.95Å; Q485-K488 VanDerWaalsContact O-N 3.12Å; Q485-M489 PolarHBondContact O-N 3.48Å
486	K	36.8	Very low	44.7	Very low	172 Å²	172	123.9 Å²	123.9	75%	0.748	65%	0.649	S	S	*	*	H	α-helix	trans	-67.9	-19.6	177.4	-159.4	166.1	-174.1	172.6	0	113.9	Q482	Q482-K486 PolarHBondContact O-N 2.7Å
487	L	41.6	Very low	47.2	Very low	114 Å²	114	126.1 Å²	126.1	60%	0.597	65%	0.648	S	S	*	*	H	α-helix	trans	-84.5	-32.5	168.6	-101.1	71.7	0	0	0	113.4	R483 Q485 L490	R483-L487 HydrophobicContact CG-CD1 4.5Å; R483-L487 WeakPolarHBondContact O-CD1 3.36Å; R483-L487 PolarHBondContact O-N 3.46Å; Q485-L487 PolarHBondContact O-N 2.84Å; L487-L490 WeakPolarHBondContact O-CB 3.49Å; L487-L490 PolarHBondContact O-N 3.28Å
488	K	36.9	Very low	50.1	Low	179 Å²	179	118.5 Å²	118.5	78%	0.778	61%	0.607	S	S	*	*	H	α-helix	trans	-72.3	-28.7	178.7	-78.5	-172.2	173.8	-171.8	0	113.6	T484 Q485 L490	T484-K488 PolarHBondContact O-N 3.17Å; T484-K488 VanDerWaalsContact O-N 3.15Å; Q485-K488 PolarHBondContact O-N 2.95Å; Q485-K488 VanDerWaalsContact O-N 3.12Å; K488-L490 PolarHBondContact O-N 2.98Å
489	M	32	Very low	52.8	Low	170 Å²	170	120.5 Å²	120.5	84%	0.837	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-5	171.1	-69.2	-54.3	-52.8	0	0	114.3	Q485	Q485-M489 PolarHBondContact O-N 3.48Å
490	L	34.5	Very low	55.6	Low	146 Å²	146	117.7 Å²	117.7	76%	0.764	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	8	-178	-157	65.9	0	0	0	112.8	L487 K488	L487-L490 WeakPolarHBondContact O-CB 3.49Å; L487-L490 PolarHBondContact O-N 3.28Å; K488-L490 PolarHBondContact O-N 2.98Å
491	G	31.5	Very low	58.2	Low	52 Å²	52	118.3 Å²	118.3	54%	0.536	58%	0.577	S	S	.	*	S	Bend	trans	-94.1	-33	-160.3	0	0	0	0	0	118.2
492	N	46.6	Very low	60.8	Low	146 Å²	146	113.2 Å²	113.2	78%	0.781	55%	0.554	S	S	*	*	S	Bend	trans	-110.7	-11.7	-163.3	-94.3	33.3	0	0	0	116.4	K494	N492-K494 PolarHBondContact O-N 3.42Å
493	D	59.5	Low	63.6	Low	125 Å²	125	107.3 Å²	107.3	67%	0.668	53%	0.526	S	S	*	.			trans	-76.4	46.9	-177.3	-104.6	35.9	0	0	0	112.8	L495 A496	D493-L495 PolarHBondContact O-N 3.46Å; D493-A496 HydrophobicContact CB-CB 3.76Å; D493-A496 WeakPolarHBondContact O-CB 3.46Å; D493-A496 PolarHBondContact O-N 2.84Å; D493-A496 WeakPolarHBondContact OD2-CB 3.28Å
494	K	70.7	Confident	66.4	Low	117 Å²	117	100.2 Å²	100.2	51%	0.509	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-45	178.7	-86.7	-170.1	158.5	-160.7	0	111.6	N492 E539	N492-K494 PolarHBondContact O-N 3.42Å; K494-E539 IonicContact NZ-OE1 2.74Å; K494-E539 PolarHBondContact NZ-OE1 2.88Å; K494-E539 IonicContact NZ-OE2 3.87Å; K494-E539 PolarHBondContact NZ-OE2 3.24Å
495	L	80	Confident	69	Low	15 Å²	15	100.4 Å²	100.4	8%	0.079	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-27.9	179.8	-59.3	-174	0	0	0	113.3	D493 Q497 I498 Y544 Q633 D668 K671	D493-L495 PolarHBondContact O-N 3.46Å; L495-Q497 PolarHBondContact O-N 3.19Å; L495-I498 HydrophobicContact CB-CD1 4.16Å; L495-I498 HydrophobicContact CD2-CD1 3.48Å; L495-I498 VanDerWaalsContact CD2-CD1 3.48Å; L495-I498 HydrophobicContact CG-CD1 4.43Å; L495-I498 WeakPolarHBondContact O-CB 3.46Å; L495-I498 WeakPolarHBondContact O-CG1 3.41Å; L495-I498 PolarHBondContact O-N 3.47Å; L495-I498 VanDerWaalsContact O-N 3.1Å; L495-Y544 HydrophobicContact CD2-CE1 4.37Å; L495-Q633 HydrophobicContact CD2-CB 4.05Å; L495-D668 WeakPolarHBondContact CD1-O 3.28Å; L495-K671 HydrophobicContact CB-CB 4.41Å; L495-K671 HydrophobicContact CB-CD 4.39Å; L495-K671 HydrophobicContact CD1-CB 4.5Å; L495-K671 WeakPolarHBondContact O-CD 3.49Å; L495-K671 WeakPolarHBondContact O-CE 3.3Å; L495-K671 PolarHBondContact O-NZ 3Å
496	A	78.3	Confident	71.5	Confident	53 Å²	53	100.7 Å²	100.7	44%	0.438	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.7	-174.6	0	0	0	0	0	112.6	D493 I498 K671	D493-A496 HydrophobicContact CB-CB 3.76Å; D493-A496 WeakPolarHBondContact O-CB 3.46Å; D493-A496 PolarHBondContact O-N 2.84Å; D493-A496 WeakPolarHBondContact OD2-CB 3.28Å; A496-I498 VanDerWaalsContact C-N 3.34Å; A496-I498 PolarHBondContact O-N 2.67Å; A496-K671 VanDerWaalsContact C-NZ 3.27Å; A496-K671 PolarHBondContact O-NZ 2.93Å
497	Q	86.4	Confident	74.5	Confident	153 Å²	153	94.3 Å²	94.3	72%	0.715	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.3	179.3	-56	-171.9	16.4	0	0	114	L495 K499	L495-Q497 PolarHBondContact O-N 3.19Å; Q497-K499 PolarHBondContact O-N 3.07Å
498	I	93.7	Very high	77.2	Confident	4 Å²	4	88.9 Å²	88.9	2%	0.021	45%	0.446	C	S	.	.			trans	-64.9	130.2	-177.3	-55.3	168.9	0	0	0	110.7	L495 A496 S536 G537 L538 Y544 L631 K671 F673	L495-I498 HydrophobicContact CB-CD1 4.16Å; L495-I498 HydrophobicContact CD2-CD1 3.48Å; L495-I498 VanDerWaalsContact CD2-CD1 3.48Å; L495-I498 HydrophobicContact CG-CD1 4.43Å; L495-I498 WeakPolarHBondContact O-CB 3.46Å; L495-I498 WeakPolarHBondContact O-CG1 3.41Å; L495-I498 PolarHBondContact O-N 3.47Å; L495-I498 VanDerWaalsContact O-N 3.1Å; A496-I498 VanDerWaalsContact C-N 3.34Å; A496-I498 PolarHBondContact O-N 2.67Å; I498-S536 WeakPolarHBondContact CA-O 3.4Å; I498-G537 WeakPolarHBondContact CG1-O 3.43Å; I498-L538 HydrophobicContact CB-CD2 4.35Å; I498-L538 HydrophobicContact CD1-CD2 3.61Å; I498-L538 HydrophobicContact CG1-CD2 3.86Å; I498-L538 HydrophobicContact CG2-CD2 3.53Å; I498-L538 HydrophobicContact CG2-CG 4.31Å; I498-Y544 HydrophobicContact CD1-CE1 4.49Å; I498-L631 HydrophobicContact CD1-CD2 3.78Å; I498-L631 HydrophobicContact CG2-CD2 3.95Å; I498-K671 HydrophobicContact CB-CD 4.43Å; I498-K671 PolarHBondContact O-NZ 3.1Å; I498-F673 HydrophobicContact CB-CZ 4.49Å; I498-F673 HydrophobicContact CG2-CZ 4.02Å
499	K	94.9	Very high	80.1	Confident	149 Å²	149	83.4 Å²	83.4	65%	0.648	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.2	174.2	-60.6	177.5	-175.9	177.6	0	110.7	Q497 F535 S536	Q497-K499 PolarHBondContact O-N 3.07Å; K499-F535 CarbonylContact O-C 3.47Å; K499-F535 WeakPolarHBondContact O-CA 3.33Å; K499-S536 PolarHBondContact N-O 3.19Å; K499-S536 PolarHBondContact O-N 2.86Å; K499-S536 PolarHBondContact O-OG 3.08Å
500	C	97	Very high	83.2	Confident	20 Å²	20	80.4 Å²	80.4	14%	0.135	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.9	171.2	-174.3	0	0	0	0	109.3	S534 F535 F673 F675	C500-S534 CarbonylContact C-O 3.52Å; C500-S534 WeakPolarHBondContact CA-O 3.35Å; C500-F535 HydrophobicContact CB-CD1 3.97Å; C500-F535 HydrophobicContact CB-CE1 3.98Å; C500-F673 HydrophobicContact CB-CB 4.16Å; C500-F673 HydrophobicContact CB-CD1 3.4Å; C500-F673 VanDerWaalsContact CB-CD1 3.4Å; C500-F673 HydrophobicContact CB-CD2 3.79Å; C500-F673 HydrophobicContact CB-CE1 3.54Å; C500-F673 HydrophobicContact CB-CE2 3.92Å; C500-F673 HydrophobicContact CB-CG 3.51Å; C500-F673 HydrophobicContact CB-CZ 3.79Å; C500-F675 HydrophobicContact CB-CZ 4.39Å
501	R	97.5	Very high	86.3	Confident	157 Å²	157	73.4 Å²	73.4	59%	0.592	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.5	176	-178	176.7	67.9	-152.8	1.1	110.2	E503 A533 S534	R501-E503 IonicContact CZ-OE1 2.63Å; R501-E503 IonicContact NE-OE1 3.05Å; R501-E503 PolarHBondContact NE-OE1 2.82Å; R501-E503 IonicContact NE-OE2 2.89Å; R501-E503 IonicContact NH2-OE1 3.51Å; R501-E503 PolarHBondContact NH2-OE1 2.96Å; R501-E503 IonicContact NH2-OE2 2.59Å; R501-E503 PolarHBondContact O-N 3.45Å; R501-A533 WeakPolarHBondContact O-CA 3.48Å; R501-S534 PolarHBondContact N-O 3Å; R501-S534 PolarHBondContact O-N 3.3Å
502	L	98.3	Very high	89.4	Confident	7 Å²	7	74.2 Å²	74.2	4%	0.037	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119	167.3	179.9	66.4	0	0	0	109.3	W508 I531 F675 E677 T678	L502-W508 HydrophobicContact CD2-CB 4.25Å; L502-W508 HydrophobicContact CD2-CG 4.04Å; L502-I531 HydrophobicContact CD1-CG2 4.38Å; L502-F675 HydrophobicContact CB-CD1 3.78Å; L502-F675 HydrophobicContact CB-CD2 4.37Å; L502-F675 HydrophobicContact CB-CE1 3.83Å; L502-F675 HydrophobicContact CB-CE2 4.4Å; L502-F675 HydrophobicContact CB-CG 4.07Å; L502-F675 HydrophobicContact CB-CZ 4.15Å; L502-F675 HydrophobicContact CD2-CB 4.16Å; L502-F675 HydrophobicContact CD2-CD1 4.47Å; L502-F675 HydrophobicContact CD2-CG 4.26Å; L502-E677 HydrophobicContact CD2-CG 3.59Å; L502-E677 WeakPolarHBondContact CD2-OE1 3.35Å; L502-T678 HydrophobicContact CD1-CG2 4.15Å; L502-T678 HydrophobicContact CD2-CG2 3.65Å
503	E	97.3	Very high	91.8	Very high	41 Å²	41	74.4 Å²	74.4	19%	0.192	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	146	174.7	-62.4	-57.7	159	0	0	111.4	R501 K505 R532 S534 T598	R501-E503 IonicContact CZ-OE1 2.63Å; R501-E503 IonicContact NE-OE1 3.05Å; R501-E503 PolarHBondContact NE-OE1 2.82Å; R501-E503 IonicContact NE-OE2 2.89Å; R501-E503 IonicContact NH2-OE1 3.51Å; R501-E503 PolarHBondContact NH2-OE1 2.96Å; R501-E503 IonicContact NH2-OE2 2.59Å; R501-E503 PolarHBondContact O-N 3.45Å; E503-K505 VanDerWaalsContact C-N 3.29Å; E503-K505 PolarHBondContact O-N 3.35Å; E503-R532 HydrophobicContact CB-CB 3.91Å; E503-R532 PolarHBondContact N-O 2.76Å; E503-S534 WeakPolarHBondContact CG-OG 3.41Å; E503-S534 WeakPolarHBondContact OE1-CB 3.34Å; E503-S534 PolarHBondContact OE1-OG 2.88Å; E503-T598 HydrophobicContact CB-CG2 4.35Å; E503-T598 HydrophobicContact CG-CG2 3.62Å
504	T	94.4	Very high	93.6	Very high	58 Å²	58	71.2 Å²	71.2	36%	0.356	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	40.3	-170.8	44.2	0	0	0	0	113.9	E506 L507 W508 R532	T504-E506 VanDerWaalsContact C-N 3.29Å; T504-E506 PolarHBondContact O-N 2.94Å; T504-L507 WeakPolarHBondContact O-CB 3.5Å; T504-L507 PolarHBondContact O-N 2.77Å; T504-W508 PolarHBondContact O-N 3.24Å; T504-R532 PolarHBondContact OG1-NH2 3.07Å
505	K	96.9	Very high	94.9	Very high	91 Å²	91	67 Å²	67	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-50.3	-44.6	174.9	-176.8	168.6	177.7	-74.5	0	113.1	E503 L507 W508 E509 E677	E503-K505 VanDerWaalsContact C-N 3.29Å; E503-K505 PolarHBondContact O-N 3.35Å; K505-L507 PolarHBondContact O-N 2.89Å; K505-L507 VanDerWaalsContact O-N 3.11Å; K505-W508 CarbonylContact O-C 3.39Å; K505-W508 WeakPolarHBondContact O-CA 3.44Å; K505-W508 WeakPolarHBondContact O-CB 3.37Å; K505-W508 PolarHBondContact O-N 3.4Å; K505-E509 HydrophobicContact CG-CG 4.31Å; K505-E509 IonicContact NZ-OE1 3.67Å; K505-E509 PolarHBondContact NZ-OE1 3.46Å; K505-E509 IonicContact NZ-OE2 3.26Å; K505-E509 WeakPolarHBondContact O-CG 3.3Å; K505-E509 PolarHBondContact O-N 3.14Å; K505-E677 WeakPolarHBondContact CD-OE1 3.48Å; K505-E677 WeakPolarHBondContact CE-OE1 3.43Å; K505-E677 HydrophobicContact CG-CG 4.35Å; K505-E677 WeakPolarHBondContact CG-OE1 3.32Å
506	E	97.6	Very high	95.8	Very high	145 Å²	145	66.4 Å²	66.4	68%	0.678	33%	0.326	S	S	*	.	H	α-helix	trans	-54.5	-31.7	176.3	-62.5	167.3	-148.3	0	0	114.3	T504 E509 K510	T504-E506 VanDerWaalsContact C-N 3.29Å; T504-E506 PolarHBondContact O-N 2.94Å; E506-E509 WeakPolarHBondContact CA-OE2 3.24Å; E506-E509 PolarHBondContact N-OE2 3.15Å; E506-K510 WeakPolarHBondContact O-CD 3.44Å; E506-K510 WeakPolarHBondContact O-CG 3.47Å; E506-K510 PolarHBondContact O-N 3.15Å
507	L	97.9	Very high	96.7	Very high	38 Å²	38	63.9 Å²	63.9	20%	0.199	31%	0.305	C	S	.	.	H	α-helix	trans	-78.5	-36.4	177.2	-178.6	61.2	0	0	0	111	T504 K505 F511 F528 P529 C698	T504-L507 WeakPolarHBondContact O-CB 3.5Å; T504-L507 PolarHBondContact O-N 2.77Å; K505-L507 PolarHBondContact O-N 2.89Å; K505-L507 VanDerWaalsContact O-N 3.11Å; L507-F511 HydrophobicContact CD1-CD2 4.21Å; L507-F511 HydrophobicContact CD1-CE2 3.94Å; L507-F511 HydrophobicContact CG-CD2 4.31Å; L507-F511 HydrophobicContact CG-CE2 4.27Å; L507-F511 VanDerWaalsContact O-CD2 3.29Å; L507-F511 WeakPolarHBondContact O-CD2 3.48Å; L507-F511 PolarHBondContact O-N 3.23Å; L507-F528 HydrophobicContact CD2-CZ 4.33Å; L507-P529 HydrophobicContact CD2-CB 4.12Å; L507-P529 HydrophobicContact CD2-CG 4.03Å; L507-P529 HydrophobicContact CG-CB 4.41Å; L507-P529 HydrophobicContact CG-CG 3.87Å; L507-C698 HydrophobicContact CD1-CB 3.95Å
508	W	98.5	Very high	97.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-42.2	172.4	-78.8	101.9	0	0	0	111.6	L502 T504 K505 K510 F511 N512 T516 M518 P529 I531 E677 T678	L502-W508 HydrophobicContact CD2-CB 4.25Å; L502-W508 HydrophobicContact CD2-CG 4.04Å; T504-W508 PolarHBondContact O-N 3.24Å; K505-W508 CarbonylContact O-C 3.39Å; K505-W508 WeakPolarHBondContact O-CA 3.44Å; K505-W508 WeakPolarHBondContact O-CB 3.37Å; K505-W508 PolarHBondContact O-N 3.4Å; W508-K510 PolarHBondContact O-N 2.92Å; W508-F511 PolarHBondContact O-N 3.29Å; W508-F511 VanDerWaalsContact O-N 3.11Å; W508-N512 WeakPolarHBondContact O-CB 3.28Å; W508-N512 PolarHBondContact O-N 3.19Å; W508-T516 HydrophobicContact CZ3-CG2 4.4Å; W508-M518 HydrophobicContact CH2-CE 3.5Å; W508-M518 HydrophobicContact CZ3-CE 3.69Å; W508-P529 HydrophobicContact CD2-CB 4.16Å; W508-P529 HydrophobicContact CD2-CG 4.18Å; W508-P529 HydrophobicContact CE3-CG 4.46Å; W508-P529 WeakPolarHBondContact CH2-O 3.41Å; W508-P529 HydrophobicContact CZ2-CB 3.87Å; W508-P529 VanDerWaalsContact CZ2-O 3.27Å; W508-P529 WeakPolarHBondContact CZ2-O 3.47Å; W508-I531 HydrophobicContact CH2-CD1 4.39Å; W508-I531 HydrophobicContact CH2-CG1 3.85Å; W508-I531 HydrophobicContact CZ2-CB 4.47Å; W508-I531 HydrophobicContact CZ2-CD1 4.4Å; W508-I531 HydrophobicContact CZ2-CG1 3.43Å; W508-I531 VanDerWaalsContact CZ2-CG1 3.43Å; W508-E677 HydrophobicContact CB-CB 4.43Å; W508-E677 HydrophobicContact CB-CG 4.04Å; W508-T678 HydrophobicContact CD2-CG2 3.82Å; W508-T678 HydrophobicContact CE3-CG2 3.92Å; W508-T678 HydrophobicContact CG-CG2 4.23Å; W508-T678 HydrophobicContact CH2-CG2 4.46Å; W508-T678 HydrophobicContact CZ2-CG2 4.4Å; W508-T678 HydrophobicContact CZ3-CG2 4.23Å
509	E	98.2	Very high	97.5	Very high	64 Å²	64	57.7 Å²	57.7	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-58.1	-48.9	176.3	-70.9	169.3	133.3	0	0	111.7	K505 E506 F511 N512 E513 E677	K505-E509 HydrophobicContact CG-CG 4.31Å; K505-E509 IonicContact NZ-OE1 3.67Å; K505-E509 PolarHBondContact NZ-OE1 3.46Å; K505-E509 IonicContact NZ-OE2 3.26Å; K505-E509 WeakPolarHBondContact O-CG 3.3Å; K505-E509 PolarHBondContact O-N 3.14Å; E506-E509 WeakPolarHBondContact CA-OE2 3.24Å; E506-E509 PolarHBondContact N-OE2 3.15Å; E509-F511 VanDerWaalsContact C-N 3.25Å; E509-F511 PolarHBondContact O-N 3.27Å; E509-N512 WeakPolarHBondContact O-CB 3.14Å; E509-N512 PolarHBondContact O-N 2.96Å; E509-E513 WeakPolarHBondContact O-CG 3.32Å; E509-E513 PolarHBondContact O-N 2.97Å; E509-E677 HydrophobicContact CG-CB 4.22Å
510	K	98	Very high	97.7	Very high	107 Å²	107	50.7 Å²	50.7	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-29	174.9	-71.8	167.6	-177	169.9	0	114.3	E506 W508 L694	E506-K510 WeakPolarHBondContact O-CD 3.44Å; E506-K510 WeakPolarHBondContact O-CG 3.47Å; E506-K510 PolarHBondContact O-N 3.15Å; W508-K510 PolarHBondContact O-N 2.92Å; K510-L694 HydrophobicContact CB-CD2 4.12Å; K510-L694 WeakPolarHBondContact O-CD2 3.44Å
511	F	98.4	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-78.9	-37.5	171.7	-88.4	-70	0	0	0	112.2	L507 W508 E509 L514 G515 T516 F528 P529 I691 L694 K695	L507-F511 HydrophobicContact CD1-CD2 4.21Å; L507-F511 HydrophobicContact CD1-CE2 3.94Å; L507-F511 HydrophobicContact CG-CD2 4.31Å; L507-F511 HydrophobicContact CG-CE2 4.27Å; L507-F511 VanDerWaalsContact O-CD2 3.29Å; L507-F511 WeakPolarHBondContact O-CD2 3.48Å; L507-F511 PolarHBondContact O-N 3.23Å; W508-F511 PolarHBondContact O-N 3.29Å; W508-F511 VanDerWaalsContact O-N 3.11Å; E509-F511 VanDerWaalsContact C-N 3.25Å; E509-F511 PolarHBondContact O-N 3.27Å; F511-L514 PolarHBondContact O-N 3.19Å; F511-G515 CarbonylContact O-C 3.6Å; F511-G515 PolarHBondContact O-N 3.02Å; F511-T516 VanDerWaalsContact C-OG1 3.24Å; F511-T516 HydrophobicContact CB-CG2 4.09Å; F511-T516 WeakPolarHBondContact O-CA 3.47Å; F511-T516 PolarHBondContact O-N 3.48Å; F511-T516 PolarHBondContact O-OG1 2.99Å; F511-F528 HydrophobicContact CE2-CD1 4.28Å; F511-F528 AromaticContact CE2-CE1 3.85Å; F511-F528 HydrophobicContact CE2-CE1 3.85Å; F511-F528 HydrophobicContact CZ-CD1 4.18Å; F511-F528 AromaticContact CZ-CE1 3.95Å; F511-F528 HydrophobicContact CZ-CE1 3.95Å; F511-P529 HydrophobicContact CD2-CG 3.36Å; F511-P529 HydrophobicContact CE2-CG 3.61Å; F511-P529 HydrophobicContact CG-CG 4.33Å; F511-I691 HydrophobicContact CD1-CD1 3.83Å; F511-I691 HydrophobicContact CD1-CG2 4.47Å; F511-I691 HydrophobicContact CE1-CD1 4.48Å; F511-I691 HydrophobicContact CE1-CG2 4.31Å; F511-L694 HydrophobicContact CD1-CD2 3.73Å; F511-L694 HydrophobicContact CD1-CG 4.35Å; F511-L694 HydrophobicContact CD2-CD2 3.93Å; F511-L694 HydrophobicContact CD2-CG 4.43Å; F511-L694 HydrophobicContact CE1-CB 3.87Å; F511-L694 HydrophobicContact CE1-CD2 3.7Å; F511-L694 HydrophobicContact CE1-CG 3.79Å; F511-L694 HydrophobicContact CE2-CD2 3.91Å; F511-L694 HydrophobicContact CE2-CG 3.91Å; F511-L694 HydrophobicContact CG-CD2 3.83Å; F511-L694 HydrophobicContact CZ-CB 3.95Å; F511-L694 HydrophobicContact CZ-CD2 3.79Å; F511-L694 HydrophobicContact CZ-CG 3.55Å; F511-K695 HydrophobicContact CE1-CD 3.53Å; F511-K695 HydrophobicContact CE1-CG 3.89Å; F511-K695 HydrophobicContact CZ-CD 3.69Å; F511-K695 HydrophobicContact CZ-CG 4.17Å
512	N	97.8	Very high	97.7	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-40.8	-179	-172.3	49.1	0	0	0	112.2	W508 E509 L514 G515 T516	W508-N512 WeakPolarHBondContact O-CB 3.28Å; W508-N512 PolarHBondContact O-N 3.19Å; E509-N512 WeakPolarHBondContact O-CB 3.14Å; E509-N512 PolarHBondContact O-N 2.96Å; N512-L514 PolarHBondContact O-N 3.3Å; N512-G515 PolarHBondContact O-N 2.92Å; N512-T516 WeakPolarHBondContact CA-OG1 3.36Å; N512-T516 PolarHBondContact N-OG1 3.5Å
513	E	97.5	Very high	97.6	Very high	151 Å²	151	55.1 Å²	55.1	71%	0.706	28%	0.281	S	S	*	.	H	α-helix	trans	-52.8	-37.3	172.4	-74.4	164.2	-170.6	0	0	112.8	E509	E509-E513 WeakPolarHBondContact O-CG 3.32Å; E509-E513 PolarHBondContact O-N 2.97Å
514	L	96.8	Very high	97.6	Very high	58 Å²	58	53.5 Å²	53.5	30%	0.304	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.2	179.2	-64.2	176.6	0	0	0	113.6	F511 N512 N688 L690 I691 L694	F511-L514 PolarHBondContact O-N 3.19Å; N512-L514 PolarHBondContact O-N 3.3Å; L514-N688 PolarHBondContact O-ND2 2.78Å; L514-L690 HydrophobicContact CD1-CB 4Å; L514-L690 HydrophobicContact CD2-CB 4.06Å; L514-L690 HydrophobicContact CD2-CD1 3.9Å; L514-I691 HydrophobicContact CB-CD1 3.5Å; L514-I691 VanDerWaalsContact CB-CD1 3.5Å; L514-I691 HydrophobicContact CB-CG1 4.04Å; L514-I691 HydrophobicContact CD1-CD1 4.48Å; L514-L694 HydrophobicContact CD1-CD2 4.04Å
515	G	96.9	Very high	97.7	Very high	27 Å²	27	56.3 Å²	56.3	28%	0.278	28%	0.28	S	S	.	.			trans	72.8	88	-170.9	0	0	0	0	0	112.4	F511 N512 E517 I691	F511-G515 CarbonylContact O-C 3.6Å; F511-G515 PolarHBondContact O-N 3.02Å; N512-G515 PolarHBondContact O-N 2.92Å; G515-E517 PolarHBondContact O-N 2.84Å; G515-I691 WeakPolarHBondContact O-CD1 3.45Å
516	T	98.5	Very high	97.8	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	28%	0.28	C	S	.	.			trans	-51.8	128.3	-174.2	-48.5	0	0	0	0	112.8	W508 F511 N512 M518 I679 F680 I681	W508-T516 HydrophobicContact CZ3-CG2 4.4Å; F511-T516 VanDerWaalsContact C-OG1 3.24Å; F511-T516 HydrophobicContact CB-CG2 4.09Å; F511-T516 WeakPolarHBondContact O-CA 3.47Å; F511-T516 PolarHBondContact O-N 3.48Å; F511-T516 PolarHBondContact O-OG1 2.99Å; N512-T516 WeakPolarHBondContact CA-OG1 3.36Å; N512-T516 PolarHBondContact N-OG1 3.5Å; T516-M518 HydrophobicContact CG2-CE 4.11Å; T516-I679 VanDerWaalsContact CB-O 3.27Å; T516-I679 WeakPolarHBondContact CB-O 3.21Å; T516-I679 PolarHBondContact OG1-O 3.49Å; T516-F680 HydrophobicContact CG2-CB 3.71Å; T516-F680 CarbonylContact O-C 3.52Å; T516-F680 WeakPolarHBondContact O-CA 3.42Å; T516-F680 WeakPolarHBondContact O-CB 3.48Å; T516-I681 PolarHBondContact O-N 3.41Å
517	E	98.8	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143	171.7	-53.9	179.1	-168.4	0	0	111.2	G515 W567 I681 V683 Y686 Q687 N688 I691 K695	G515-E517 PolarHBondContact O-N 2.84Å; E517-W567 HydrophobicContact CG-CZ2 4.04Å; E517-I681 WeakPolarHBondContact CA-O 3.38Å; E517-V683 HydrophobicContact CB-CG2 4.01Å; E517-Y686 HydrophobicContact CB-CD1 3.98Å; E517-Y686 HydrophobicContact CB-CE1 4.32Å; E517-Y686 WeakPolarHBondContact OE2-CA 3.38Å; E517-Q687 PolarHBondContact OE1-N 2.73Å; E517-Q687 PolarHBondContact OE2-N 3.46Å; E517-N688 VanDerWaalsContact OE1-CB 3.28Å; E517-N688 WeakPolarHBondContact OE1-CB 3.48Å; E517-N688 PolarHBondContact OE1-N 3.26Å; E517-I691 HydrophobicContact CB-CG2 4.06Å; E517-I691 HydrophobicContact CG-CG1 4.34Å; E517-I691 HydrophobicContact CG-CG2 4.25Å; E517-K695 WeakPolarHBondContact O-CE 3.5Å; E517-K695 PolarHBondContact O-NZ 2.97Å
518	M	98.7	Very high	97.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.7	173.5	-66.7	-68.9	-176.2	0	0	111.1	W508 T516 M527 F528 L606 F680 I681 V683	W508-M518 HydrophobicContact CH2-CE 3.5Å; W508-M518 HydrophobicContact CZ3-CE 3.69Å; T516-M518 HydrophobicContact CG2-CE 4.11Å; M518-M527 HydrophobicContact CE-CB 4.19Å; M518-M527 HydrophobicContact SD-CB 4.09Å; M518-F528 WeakPolarHBondContact CE-O 3.36Å; M518-F528 PolarHBondContact SD-N 3.34Å; M518-L606 HydrophobicContact CB-CD1 3.94Å; M518-L606 HydrophobicContact CG-CD1 4.43Å; M518-F680 HydrophobicContact CB-CD2 3.5Å; M518-F680 VanDerWaalsContact CB-CD2 3.5Å; M518-F680 HydrophobicContact CB-CE2 3.69Å; M518-F680 HydrophobicContact CB-CG 4.13Å; M518-F680 HydrophobicContact CB-CZ 4.45Å; M518-F680 HydrophobicContact CG-CB 3.9Å; M518-F680 HydrophobicContact CG-CD1 3.99Å; M518-F680 HydrophobicContact CG-CD2 3.42Å; M518-F680 VanDerWaalsContact CG-CD2 3.42Å; M518-F680 HydrophobicContact CG-CE1 4.36Å; M518-F680 HydrophobicContact CG-CE2 3.85Å; M518-F680 HydrophobicContact CG-CG 3.5Å; M518-F680 VanDerWaalsContact CG-CG 3.5Å; M518-F680 HydrophobicContact CG-CZ 4.3Å; M518-I681 PolarHBondContact N-O 2.91Å; M518-V683 PolarHBondContact O-N 2.85Å
519	I	98.6	Very high	97.8	Very high	23 Å²	23	50.3 Å²	50.3	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.1	176	-63	-75.8	0	0	0	110	T521 R525 V683 Y686	I519-T521 HydrophobicContact CG2-CG2 3.95Å; I519-R525 HydrophobicContact CB-CG 4.06Å; I519-R525 HydrophobicContact CG2-CG 3.92Å; I519-R525 VanDerWaalsContact O-CB 3.28Å; I519-R525 WeakPolarHBondContact O-CB 3.46Å; I519-R525 WeakPolarHBondContact O-CG 3.46Å; I519-V683 CarbonylContact C-O 3.54Å; I519-V683 WeakPolarHBondContact CA-O 3.08Å; I519-V683 HydrophobicContact CD1-CG2 4.13Å; I519-Y686 HydrophobicContact CD1-CD1 3.97Å; I519-Y686 HydrophobicContact CD1-CD2 4.23Å; I519-Y686 HydrophobicContact CD1-CE1 3.96Å; I519-Y686 HydrophobicContact CD1-CE2 4.23Å; I519-Y686 HydrophobicContact CD1-CG 4.09Å; I519-Y686 HydrophobicContact CG1-CD1 4.09Å; I519-Y686 HydrophobicContact CG1-CD2 4.44Å; I519-Y686 HydrophobicContact CG1-CE1 3.55Å; I519-Y686 HydrophobicContact CG1-CE2 3.94Å; I519-Y686 HydrophobicContact CG1-CG 4.49Å; I519-Y686 VanDerWaalsContact CG1-CZ 3.45Å
520	I	98.2	Very high	97.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	24%	0.242	C	C	.	.			trans	-115.2	140.7	171.3	68.4	-179.5	0	0	0	110.3	L606 N608 L619 A682 V683	I520-L606 HydrophobicContact CG2-CB 3.79Å; I520-L606 HydrophobicContact CG2-CD1 4.39Å; I520-N608 HydrophobicContact CD1-CB 3.76Å; I520-N608 HydrophobicContact CG1-CB 4.06Å; I520-L619 WeakPolarHBondContact CD1-O 3.47Å; I520-L619 HydrophobicContact CG2-CD1 4.44Å; I520-A682 HydrophobicContact CD1-CB 4.25Å; I520-A682 HydrophobicContact CG2-CB 4.05Å; I520-V683 PolarHBondContact N-O 3.12Å
521	T	97.7	Very high	97.9	Very high	37 Å²	37	43.8 Å²	43.8	23%	0.227	22%	0.22	C	C	.	.			trans	-140.8	156.8	-178.3	67	0	0	0	0	112.7	I519 S523 G524 R525 T607	I519-T521 HydrophobicContact CG2-CG2 3.95Å; T521-S523 PolarHBondContact O-N 3.43Å; T521-S523 VanDerWaalsContact O-N 3.09Å; T521-S523 PolarHBondContact OG1-OG 3.33Å; T521-G524 PolarHBondContact O-N 2.93Å; T521-G524 PolarHBondContact OG1-N 3.25Å; T521-R525 HydrophobicContact CG2-CB 4.2Å; T521-T607 WeakPolarHBondContact O-CA 3.49Å; T521-T607 VanDerWaalsContact O-CB 3.25Å; T521-T607 WeakPolarHBondContact O-CB 3.42Å; T521-T607 PolarHBondContact O-OG1 3.06Å
522	K	96.5	Very high	97.8	Very high	153 Å²	153	48.2 Å²	48.2	67%	0.665	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.2	176.1	-175.4	177.9	178.7	-179.3	0	114	N608 N609	K522-N608 PolarHBondContact N-OD1 2.96Å; K522-N608 VanDerWaalsContact N-OD1 3.09Å; K522-N609 HydrophobicContact CG-CB 4.39Å
523	S	96.3	Very high	97.8	Very high	87 Å²	87	45 Å²	45	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	2.2	179.5	55.3	0	0	0	0	114.6	T521 K605 Y616	T521-S523 PolarHBondContact O-N 3.43Å; T521-S523 VanDerWaalsContact O-N 3.09Å; T521-S523 PolarHBondContact OG1-OG 3.33Å; S523-K605 PolarHBondContact O-NZ 3.39Å; S523-Y616 WeakPolarHBondContact O-CE2 3.41Å
524	G	96.7	Very high	97.8	Very high	7 Å²	7	38.6 Å²	38.6	7%	0.072	19%	0.192	C	C	.	.			trans	74.6	120.8	-175.6	0	0	0	0	0	113.2	T521 K605 L606	T521-G524 PolarHBondContact O-N 2.93Å; T521-G524 PolarHBondContact OG1-N 3.25Å; G524-K605 WeakPolarHBondContact O-CD 3.22Å; G524-K605 WeakPolarHBondContact O-CE 3.45Å; G524-K605 PolarHBondContact O-NZ 3.25Å; G524-L606 CarbonylContact C-O 3.46Å; G524-L606 WeakPolarHBondContact CA-O 3.33Å
525	R	98.3	Very high	97.9	Very high	117 Å²	117	36.2 Å²	36.2	44%	0.442	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.5	-179.4	-170	73.2	167.6	-177.9	-6.4	110.5	I519 T521 K605 L606	I519-R525 HydrophobicContact CB-CG 4.06Å; I519-R525 HydrophobicContact CG2-CG 3.92Å; I519-R525 VanDerWaalsContact O-CB 3.28Å; I519-R525 WeakPolarHBondContact O-CB 3.46Å; I519-R525 WeakPolarHBondContact O-CG 3.46Å; T521-R525 HydrophobicContact CG2-CB 4.2Å; R525-K605 CarbonylContact O-C 3.33Å; R525-K605 VanDerWaalsContact O-CA 3.28Å; R525-K605 WeakPolarHBondContact O-CA 3.37Å; R525-L606 PolarHBondContact N-O 3.16Å; R525-L606 PolarHBondContact O-N 3.24Å
526	R	98	Very high	97.8	Very high	107 Å²	107	37.7 Å²	37.7	40%	0.404	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146	173.7	-72.1	176.8	168.2	-159.9	-15.3	111.2	E602 K605	R526-E602 WeakPolarHBondContact CD-O 3.37Å; R526-E602 IonicContact CZ-OE1 2.67Å; R526-E602 PolarHBondContact NE-O 2.89Å; R526-E602 IonicContact NH1-OE1 3.49Å; R526-E602 PolarHBondContact NH1-OE1 3.49Å; R526-E602 IonicContact NH2-OE1 3.16Å; R526-E602 PolarHBondContact NH2-OE1 2.78Å; R526-K605 HydrophobicContact CG-CG 4.4Å
527	M	98.4	Very high	97.6	Very high	9 Å²	9	40 Å²	40	4%	0.044	21%	0.21	C	C	.	.			trans	-66.6	148.1	170.6	-58	-171.2	-59.3	0	0	111.3	M518 P529 I531 M548 I550 L604 L606	M518-M527 HydrophobicContact CE-CB 4.19Å; M518-M527 HydrophobicContact SD-CB 4.09Å; M527-P529 CarbonylContact C-O 3.56Å; M527-I531 HydrophobicContact CE-CB 4.22Å; M527-I531 HydrophobicContact CE-CD1 3.93Å; M527-I531 HydrophobicContact CE-CG1 3.9Å; M527-I531 HydrophobicContact SD-CD1 4.45Å; M527-M548 HydrophobicContact CE-CE 3.96Å; M527-M548 HydrophobicContact CE-SD 4.15Å; M527-M548 HydrophobicContact SD-CE 4.21Å; M527-I550 HydrophobicContact SD-CD1 4.47Å; M527-L604 HydrophobicContact CE-CD2 4.07Å; M527-L604 HydrophobicContact CG-CD2 4.27Å; M527-L604 HydrophobicContact SD-CD2 4.09Å; M527-L606 HydrophobicContact CG-CD1 3.88Å; M527-L606 HydrophobicContact CG-CD2 4.32Å; M527-L606 HydrophobicContact CG-CG 4Å; M527-L606 HydrophobicContact SD-CD1 4.46Å; M527-L606 HydrophobicContact SD-CD2 4.41Å
528	F	98.4	Very high	97.4	Very high	30 Å²	30	40.7 Å²	40.7	13%	0.132	21%	0.213	C	C	.	.	S	Bend	trans	-145.8	122.8	163.2	-175.5	-89.5	0	0	0	110.1	L507 F511 M518 K695 C698 N699	L507-F528 HydrophobicContact CD2-CZ 4.33Å; F511-F528 HydrophobicContact CE2-CD1 4.28Å; F511-F528 AromaticContact CE2-CE1 3.85Å; F511-F528 HydrophobicContact CE2-CE1 3.85Å; F511-F528 HydrophobicContact CZ-CD1 4.18Å; F511-F528 AromaticContact CZ-CE1 3.95Å; F511-F528 HydrophobicContact CZ-CE1 3.95Å; M518-F528 WeakPolarHBondContact CE-O 3.36Å; M518-F528 PolarHBondContact SD-N 3.34Å; F528-K695 HydrophobicContact CD1-CD 3.89Å; F528-K695 PolarHBondContact O-NZ 3.16Å; F528-C698 HydrophobicContact CE1-CB 3.9Å; F528-C698 VanDerWaalsContact CZ-C 3.46Å; F528-C698 HydrophobicContact CZ-CB 3.81Å; F528-C698 WeakPolarHBondContact CZ-O 3.48Å; F528-N699 HydrophobicContact CD1-CB 3.95Å; F528-N699 HydrophobicContact CD2-CB 3.93Å; F528-N699 HydrophobicContact CE1-CB 3.8Å; F528-N699 HydrophobicContact CE2-CB 3.77Å; F528-N699 HydrophobicContact CG-CB 4.03Å; F528-N699 HydrophobicContact CZ-CB 3.72Å
529	P	98.3	Very high	97.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.013	23%	0.23	C	C	.	.	S	Bend	cis	-63.3	167.5	1.6	-19	32.5	0	0	0	113.4	L507 W508 F511 M527	L507-P529 HydrophobicContact CD2-CB 4.12Å; L507-P529 HydrophobicContact CD2-CG 4.03Å; L507-P529 HydrophobicContact CG-CB 4.41Å; L507-P529 HydrophobicContact CG-CG 3.87Å; W508-P529 HydrophobicContact CD2-CB 4.16Å; W508-P529 HydrophobicContact CD2-CG 4.18Å; W508-P529 HydrophobicContact CE3-CG 4.46Å; W508-P529 WeakPolarHBondContact CH2-O 3.41Å; W508-P529 HydrophobicContact CZ2-CB 3.87Å; W508-P529 VanDerWaalsContact CZ2-O 3.27Å; W508-P529 WeakPolarHBondContact CZ2-O 3.47Å; F511-P529 HydrophobicContact CD2-CG 3.36Å; F511-P529 HydrophobicContact CE2-CG 3.61Å; F511-P529 HydrophobicContact CG-CG 4.33Å; M527-P529 CarbonylContact C-O 3.56Å
530	V	98.1	Very high	96.8	Very high	31 Å²	31	45.8 Å²	45.8	19%	0.188	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-92.6	132.3	178.4	177.5	0	0	0	0	108.8	R532 E602	V530-R532 HydrophobicContact CG1-CG 4.17Å; V530-R532 PolarHBondContact O-N 3.39Å; V530-E602 HydrophobicContact CG1-CB 4Å; V530-E602 HydrophobicContact CG2-CG 4.33Å
531	I	98.3	Very high	96.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-70.1	123.3	173.3	-62.3	-179.3	0	0	0	108.3	L502 W508 M527 M548 F601 P627 V629	L502-I531 HydrophobicContact CD1-CG2 4.38Å; W508-I531 HydrophobicContact CH2-CD1 4.39Å; W508-I531 HydrophobicContact CH2-CG1 3.85Å; W508-I531 HydrophobicContact CZ2-CB 4.47Å; W508-I531 HydrophobicContact CZ2-CD1 4.4Å; W508-I531 HydrophobicContact CZ2-CG1 3.43Å; W508-I531 VanDerWaalsContact CZ2-CG1 3.43Å; M527-I531 HydrophobicContact CE-CB 4.22Å; M527-I531 HydrophobicContact CE-CD1 3.93Å; M527-I531 HydrophobicContact CE-CG1 3.9Å; M527-I531 HydrophobicContact SD-CD1 4.45Å; I531-M548 HydrophobicContact CB-SD 4.37Å; I531-M548 HydrophobicContact CD1-CE 4.24Å; I531-M548 HydrophobicContact CD1-SD 3.8Å; I531-M548 HydrophobicContact CG2-SD 4.45Å; I531-F601 HydrophobicContact CB-CD2 4.31Å; I531-F601 HydrophobicContact CG2-CD2 4.02Å; I531-F601 PolarHBondContact O-N 3.05Å; I531-P627 HydrophobicContact CD1-CB 3.33Å; I531-P627 HydrophobicContact CD1-CG 3.62Å; I531-V629 HydrophobicContact CG2-CG2 4.05Å
532	R	98.1	Very high	96.1	Very high	94 Å²	94	51.4 Å²	51.4	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.6	-177.9	-72.3	-171.2	-66.5	176.6	-1.4	108.5	E503 T504 V530 T598 V599	E503-R532 HydrophobicContact CB-CB 3.91Å; E503-R532 PolarHBondContact N-O 2.76Å; T504-R532 PolarHBondContact OG1-NH2 3.07Å; V530-R532 HydrophobicContact CG1-CG 4.17Å; V530-R532 PolarHBondContact O-N 3.39Å; R532-T598 HydrophobicContact CB-CG2 3.8Å; R532-V599 CarbonylContact C-O 3.49Å; R532-V599 VanDerWaalsContact CA-O 3.3Å; R532-V599 WeakPolarHBondContact CA-O 3.19Å
533	A	97.5	Very high	95.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.1	-168.3	0	0	0	0	0	110.5	R501 F535 V599	R501-A533 WeakPolarHBondContact O-CA 3.48Å; A533-F535 HydrophobicContact CB-CE2 4.04Å; A533-F535 HydrophobicContact CB-CZ 4.13Å; A533-V599 PolarHBondContact N-O 2.87Å; A533-V599 PolarHBondContact O-N 2.93Å
534	S	97.7	Very high	95.7	Very high	17 Å²	17	45.6 Å²	45.6	12%	0.119	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	172.3	-58.1	0	0	0	0	109.7	C500 R501 E503 T598	C500-S534 CarbonylContact C-O 3.52Å; C500-S534 WeakPolarHBondContact CA-O 3.35Å; R501-S534 PolarHBondContact N-O 3Å; R501-S534 PolarHBondContact O-N 3.3Å; E503-S534 WeakPolarHBondContact CG-OG 3.41Å; E503-S534 WeakPolarHBondContact OE1-CB 3.34Å; E503-S534 PolarHBondContact OE1-OG 2.88Å; S534-T598 PolarHBondContact OG-OG1 3.46Å
535	F	97.4	Very high	95.6	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	152.7	-176.3	-60.4	-89	0	0	0	111.7	K499 C500 A533 L538 V546 L594 V599 V629 L631 F673	K499-F535 CarbonylContact O-C 3.47Å; K499-F535 WeakPolarHBondContact O-CA 3.33Å; C500-F535 HydrophobicContact CB-CD1 3.97Å; C500-F535 HydrophobicContact CB-CE1 3.98Å; A533-F535 HydrophobicContact CB-CE2 4.04Å; A533-F535 HydrophobicContact CB-CZ 4.13Å; F535-L538 HydrophobicContact CB-CD1 3.72Å; F535-L538 HydrophobicContact CB-CG 4.34Å; F535-V546 HydrophobicContact CE2-CG1 4.34Å; F535-V546 HydrophobicContact CE2-CG2 4.2Å; F535-V546 HydrophobicContact CZ-CG1 4.16Å; F535-V546 HydrophobicContact CZ-CG2 4.25Å; F535-L594 HydrophobicContact CB-CB 4.42Å; F535-L594 HydrophobicContact CD2-CB 4.43Å; F535-L594 HydrophobicContact CD2-CD2 4.11Å; F535-L594 HydrophobicContact CE2-CD2 4.33Å; F535-V599 HydrophobicContact CD2-CG2 4.23Å; F535-V599 HydrophobicContact CE2-CB 4.25Å; F535-V599 HydrophobicContact CE2-CG2 3.88Å; F535-V629 HydrophobicContact CZ-CG1 4.02Å; F535-L631 HydrophobicContact CD1-CD2 4.31Å; F535-L631 HydrophobicContact CE1-CB 4.32Å; F535-L631 HydrophobicContact CE1-CD1 4.4Å; F535-L631 HydrophobicContact CE1-CD2 4.47Å; F535-F673 HydrophobicContact CD1-CE2 4.27Å; F535-F673 HydrophobicContact CE1-CD2 4.16Å; F535-F673 AromaticContact CE1-CE2 3.84Å; F535-F673 HydrophobicContact CE1-CE2 3.84Å
536	S	96	Very high	95.4	Very high	58 Å²	58	39.8 Å²	39.8	41%	0.406	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.8	178	54.7	0	0	0	0	111.3	I498 K499	I498-S536 WeakPolarHBondContact CA-O 3.4Å; K499-S536 PolarHBondContact N-O 3.19Å; K499-S536 PolarHBondContact O-N 2.86Å; K499-S536 PolarHBondContact O-OG 3.08Å
537	G	94.1	Very high	95.3	Very high	52 Å²	52	34.8 Å²	34.8	54%	0.536	19%	0.187	S	C	.	.	S	Bend	trans	78.4	30.4	-174.2	0	0	0	0	0	113.8	I498	I498-G537 WeakPolarHBondContact CG1-O 3.43Å
538	L	94.1	Very high	95.2	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.068	19%	0.185	C	C	.	.			trans	-89.1	154.5	176.2	-61.5	175.4	0	0	0	111.7	I498 F535 S540 Y544 L594 M595 L631	I498-L538 HydrophobicContact CB-CD2 4.35Å; I498-L538 HydrophobicContact CD1-CD2 3.61Å; I498-L538 HydrophobicContact CG1-CD2 3.86Å; I498-L538 HydrophobicContact CG2-CD2 3.53Å; I498-L538 HydrophobicContact CG2-CG 4.31Å; F535-L538 HydrophobicContact CB-CD1 3.72Å; F535-L538 HydrophobicContact CB-CG 4.34Å; L538-S540 PolarHBondContact O-N 3.25Å; L538-Y544 HydrophobicContact CB-CE2 4.17Å; L538-Y544 HydrophobicContact CD2-CE1 4.09Å; L538-Y544 HydrophobicContact CD2-CE2 4.16Å; L538-L594 HydrophobicContact CD1-CB 3.26Å; L538-L594 HydrophobicContact CD1-CD1 3.77Å; L538-L594 HydrophobicContact CD1-CG 4.16Å; L538-M595 HydrophobicContact CB-CE 4.06Å; L538-M595 HydrophobicContact CB-CG 4.03Å; L538-M595 HydrophobicContact CB-SD 3.94Å; L538-M595 HydrophobicContact CD1-CG 4.03Å; L538-M595 HydrophobicContact CG-CG 4.16Å; L538-M595 PolarHBondContact N-SD 3.13Å; L538-M595 VanDerWaalsContact N-SD 3.44Å; L538-M595 VanDerWaalsContact O-CE 3.29Å; L538-M595 WeakPolarHBondContact O-CE 3.48Å; L538-L631 HydrophobicContact CD2-CD2 3.64Å
539	E	92.4	Very high	95	Very high	81 Å²	81	33.2 Å²	33.2	38%	0.379	18%	0.18	S	C	.	.			trans	-80.3	110.7	172.4	-177.3	166.2	-144.6	0	0	108.6	K494 E541 A542 Y544 Q633	K494-E539 IonicContact NZ-OE1 2.74Å; K494-E539 PolarHBondContact NZ-OE1 2.88Å; K494-E539 IonicContact NZ-OE2 3.87Å; K494-E539 PolarHBondContact NZ-OE2 3.24Å; E539-E541 VanDerWaalsContact C-N 3.29Å; E539-E541 PolarHBondContact O-N 3.25Å; E539-E541 VanDerWaalsContact O-N 3.14Å; E539-A542 HydrophobicContact CB-CB 3.86Å; E539-A542 HydrophobicContact CG-CB 4Å; E539-A542 WeakPolarHBondContact O-CB 3.31Å; E539-A542 PolarHBondContact O-N 3.01Å; E539-Y544 PolarHBondContact N-OH 3.48Å; E539-Q633 PolarHBondContact OE2-NE2 3.12Å
540	S	92.6	Very high	94.9	Very high	53 Å²	53	33.3 Å²	33.3	37%	0.371	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-43.6	-166.3	-58.7	0	0	0	0	114.7	L538 G591 E592	L538-S540 PolarHBondContact O-N 3.25Å; S540-G591 PolarHBondContact O-N 3.45Å; S540-E592 PolarHBondContact O-N 3.05Å; S540-E592 VanDerWaalsContact O-N 3.09Å
541	E	90.3	Very high	94.7	Very high	157 Å²	157	33.9 Å²	33.9	73%	0.734	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.3	-178.1	-56.3	-53.4	139	0	0	113.9	E539	E539-E541 VanDerWaalsContact C-N 3.29Å; E539-E541 PolarHBondContact O-N 3.25Å; E539-E541 VanDerWaalsContact O-N 3.14Å
542	A	90.5	Very high	94.6	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.196	C	C	.	.			trans	-73.1	145.7	178.8	0	0	0	0	0	110.8	E539 Y544 T590 G591 Q633	E539-A542 HydrophobicContact CB-CB 3.86Å; E539-A542 HydrophobicContact CG-CB 4Å; E539-A542 WeakPolarHBondContact O-CB 3.31Å; E539-A542 PolarHBondContact O-N 3.01Å; A542-Y544 HydrophobicContact CB-CD2 4.46Å; A542-Y544 HydrophobicContact CB-CE2 3.67Å; A542-Y544 WeakPolarHBondContact O-CD2 3.29Å; A542-T590 CarbonylContact O-C 3.54Å; A542-T590 WeakPolarHBondContact O-CA 3.26Å; A542-G591 PolarHBondContact O-N 2.77Å; A542-Q633 HydrophobicContact CB-CG 4.34Å; A542-Q633 VanDerWaalsContact CB-NE2 3.34Å
543	K	92	Very high	94.5	Very high	116 Å²	116	34.4 Å²	34.4	50%	0.504	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.2	174.2	-69.3	-177.9	-179.2	177.9	0	110.3	F589 L634	K543-F589 CarbonylContact C-O 3.59Å; K543-F589 VanDerWaalsContact CA-O 3.29Å; K543-F589 WeakPolarHBondContact CA-O 3.47Å; K543-L634 HydrophobicContact CB-CB 4.19Å; K543-L634 HydrophobicContact CB-CD1 4.22Å; K543-L634 PolarHBondContact O-N 3.35Å
544	Y	93.1	Very high	94.5	Very high	3 Å²	3	36 Å²	36	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.8	-177.4	-63.3	-87.2	0	0	0	111.4	L495 I498 L538 E539 A542 P588 F589 L594 L631 I632 Q633	L495-Y544 HydrophobicContact CD2-CE1 4.37Å; I498-Y544 HydrophobicContact CD1-CE1 4.49Å; L538-Y544 HydrophobicContact CB-CE2 4.17Å; L538-Y544 HydrophobicContact CD2-CE1 4.09Å; L538-Y544 HydrophobicContact CD2-CE2 4.16Å; E539-Y544 PolarHBondContact N-OH 3.48Å; A542-Y544 HydrophobicContact CB-CD2 4.46Å; A542-Y544 HydrophobicContact CB-CE2 3.67Å; A542-Y544 WeakPolarHBondContact O-CD2 3.29Å; Y544-P588 WeakPolarHBondContact O-CA 3.08Å; Y544-F589 PolarHBondContact N-O 2.99Å; Y544-F589 PolarHBondContact O-N 3.36Å; Y544-L594 HydrophobicContact CD2-CD1 4.16Å; Y544-L594 HydrophobicContact CG-CD1 4.08Å; Y544-L631 HydrophobicContact CD1-CD1 3.83Å; Y544-L631 HydrophobicContact CD1-CD2 4.13Å; Y544-L631 HydrophobicContact CD1-CG 3.87Å; Y544-L631 HydrophobicContact CE1-CD2 4.33Å; Y544-L631 HydrophobicContact CG-CD1 3.98Å; Y544-I632 CarbonylContact C-O 3.59Å; Y544-I632 VanDerWaalsContact CA-O 3.24Å; Y544-I632 WeakPolarHBondContact CA-O 3.48Å; Y544-Q633 HydrophobicContact CD1-CB 3.85Å; Y544-Q633 HydrophobicContact CD1-CG 4.19Å; Y544-Q633 HydrophobicContact CE1-CB 3.63Å; Y544-Q633 HydrophobicContact CE1-CG 3.73Å; Y544-Q633 PolarHBondContact OH-OE1 3.42Å
545	L	93.8	Very high	94.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.9	161.7	-61.5	174.2	0	0	0	108.7	P588 L631 I632 L634 L652	L545-P588 HydrophobicContact CD2-CB 3.88Å; L545-L631 WeakPolarHBondContact O-CA 3.5Å; L545-I632 HydrophobicContact CB-CB 4.34Å; L545-I632 PolarHBondContact N-O 2.89Å; L545-I632 PolarHBondContact O-N 2.88Å; L545-L634 HydrophobicContact CD1-CD2 4.01Å; L545-L634 HydrophobicContact CD2-CD1 4.34Å; L545-L634 HydrophobicContact CG-CD1 4.11Å; L545-L634 HydrophobicContact CG-CD2 4.14Å; L545-L634 HydrophobicContact CG-CG 4.26Å; L545-L652 HydrophobicContact CD1-CD1 3.68Å
546	V	95.4	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.3	169.9	177.2	0	0	0	0	108.6	F535 H584 S587 F589 L594 V599 F601 V629 H630 L631	F535-V546 HydrophobicContact CE2-CG1 4.34Å; F535-V546 HydrophobicContact CE2-CG2 4.2Å; F535-V546 HydrophobicContact CZ-CG1 4.16Å; F535-V546 HydrophobicContact CZ-CG2 4.25Å; V546-H584 HydrophobicContact CB-CB 4.38Å; V546-H584 HydrophobicContact CG1-CB 4.48Å; V546-H584 WeakPolarHBondContact O-CB 3.24Å; V546-H584 PolarHBondContact O-N 2.84Å; V546-S587 PolarHBondContact N-OG 2.94Å; V546-S587 PolarHBondContact O-OG 2.73Å; V546-F589 HydrophobicContact CB-CD2 4.42Å; V546-F589 HydrophobicContact CB-CE2 4.22Å; V546-F589 HydrophobicContact CG2-CD2 4.11Å; V546-F589 HydrophobicContact CG2-CE2 4.29Å; V546-L594 HydrophobicContact CG2-CD1 3.93Å; V546-L594 HydrophobicContact CG2-CD2 3.81Å; V546-V599 HydrophobicContact CG1-CG1 4.06Å; V546-F601 HydrophobicContact CG1-CZ 3.82Å; V546-V629 HydrophobicContact CG1-CG1 4.34Å; V546-H630 WeakPolarHBondContact CA-O 3.18Å; V546-L631 HydrophobicContact CG2-CD1 3.67Å
547	L	94.6	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.9	178.3	65.8	87.5	0	0	0	110.9	H581 Y582 V583 H630 I632 L652 L662	L547-H581 HydrophobicContact CD1-CB 4.19Å; L547-Y582 CarbonylContact C-O 3.54Å; L547-Y582 WeakPolarHBondContact CA-O 3.03Å; L547-Y582 WeakPolarHBondContact CB-O 3.33Å; L547-V583 HydrophobicContact CB-CB 4.43Å; L547-V583 HydrophobicContact CB-CG2 4.23Å; L547-H630 HydrophobicContact CD1-CB 3.72Å; L547-H630 VanDerWaalsContact CD1-CD2 3.49Å; L547-H630 WeakPolarHBondContact CD1-CD2 3.23Å; L547-H630 HydrophobicContact CG-CB 4.01Å; L547-H630 PolarHBondContact N-O 3.3Å; L547-H630 PolarHBondContact O-N 3.47Å; L547-I632 HydrophobicContact CD2-CD1 3.73Å; L547-L652 HydrophobicContact CD2-CD2 4.32Å; L547-L662 HydrophobicContact CD1-CD2 3.83Å; L547-L662 HydrophobicContact CD2-CD2 4.21Å
548	M	95.7	Very high	94.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.6	177.4	-161.8	-168.9	102.3	0	0	110.3	M527 I531 I550 H581 Y582 F601 L604 P627 R628 V629	M527-M548 HydrophobicContact CE-CE 3.96Å; M527-M548 HydrophobicContact CE-SD 4.15Å; M527-M548 HydrophobicContact SD-CE 4.21Å; I531-M548 HydrophobicContact CB-SD 4.37Å; I531-M548 HydrophobicContact CD1-CE 4.24Å; I531-M548 HydrophobicContact CD1-SD 3.8Å; I531-M548 HydrophobicContact CG2-SD 4.45Å; M548-I550 HydrophobicContact CE-CD1 3.66Å; M548-I550 HydrophobicContact CE-CG1 3.5Å; M548-H581 CarbonylContact O-C 3.6Å; M548-H581 WeakPolarHBondContact O-CA 3.25Å; M548-Y582 PolarHBondContact N-O 3.5Å; M548-Y582 PolarHBondContact O-N 3.36Å; M548-F601 HydrophobicContact CB-CD1 3.95Å; M548-F601 HydrophobicContact CB-CE1 3.62Å; M548-F601 HydrophobicContact CB-CE2 4.41Å; M548-F601 HydrophobicContact CB-CG 4.48Å; M548-F601 HydrophobicContact CB-CZ 3.86Å; M548-F601 HydrophobicContact SD-CB 4.39Å; M548-F601 HydrophobicContact SD-CD1 4.4Å; M548-F601 HydrophobicContact SD-CD2 4.25Å; M548-F601 HydrophobicContact SD-CG 4.1Å; M548-L604 HydrophobicContact CB-CD1 4.34Å; M548-L604 HydrophobicContact CE-CD1 3.51Å; M548-L604 HydrophobicContact CE-CD2 4.36Å; M548-L604 HydrophobicContact SD-CD1 3.84Å; M548-P627 HydrophobicContact CE-CB 4.15Å; M548-R628 CarbonylContact C-O 3.59Å; M548-R628 VanDerWaalsContact CA-O 3.23Å; M548-R628 WeakPolarHBondContact CA-O 3.46Å; M548-R628 WeakPolarHBondContact CG-O 3.37Å; M548-V629 HydrophobicContact CG-CG2 4.24Å
549	D	94.7	Very high	94.8	Very high	7 Å²	7	50 Å²	50	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	174.2	164.4	85.7	8.8	0	0	0	111.5	P627 R628 H630	D549-P627 WeakPolarHBondContact O-CA 3.22Å; D549-R628 PolarHBondContact N-O 3.45Å; D549-R628 PolarHBondContact O-N 3.34Å; D549-R628 WeakPolarHBondContact OD1-CB 3.32Å; D549-R628 IonicContact OD1-CZ 2.9Å; D549-R628 IonicContact OD1-NE 3.14Å; D549-R628 PolarHBondContact OD1-NE 2.96Å; D549-R628 IonicContact OD1-NH2 2.66Å; D549-R628 IonicContact OD2-CZ 3.63Å; D549-R628 IonicContact OD2-NE 2.84Å; D549-R628 PolarHBondContact OD2-NE 3.19Å; D549-R628 IonicContact OD2-NH2 3.59Å; D549-R628 PolarHBondContact OD2-NH2 3.12Å; D549-H630 VanDerWaalsContact CG-NE2 3.28Å; D549-H630 IonicContact OD1-NE2 2.72Å; D549-H630 PolarHBondContact OD1-NE2 2.78Å; D549-H630 IonicContact OD2-CE1 3.65Å; D549-H630 IonicContact OD2-NE2 2.71Å; D549-H630 PolarHBondContact OD2-NE2 3.15Å
550	I	96.3	Very high	95.1	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	113.3	176.6	-58	-178.3	0	0	0	107.5	M527 M548 L606 I617 L619 Y625 F680	M527-I550 HydrophobicContact SD-CD1 4.47Å; M548-I550 HydrophobicContact CE-CD1 3.66Å; M548-I550 HydrophobicContact CE-CG1 3.5Å; I550-L606 HydrophobicContact CD1-CD2 3.44Å; I550-L606 VanDerWaalsContact CD1-CD2 3.44Å; I550-I617 HydrophobicContact CB-CG2 4.27Å; I550-I617 HydrophobicContact CD1-CD1 4Å; I550-I617 HydrophobicContact CD1-CG2 4.21Å; I550-I617 HydrophobicContact CG1-CD1 4.01Å; I550-I617 HydrophobicContact CG1-CG2 4.42Å; I550-L619 HydrophobicContact CB-CD2 4.35Å; I550-L619 HydrophobicContact CG2-CD1 4.48Å; I550-L619 HydrophobicContact CG2-CD2 3.91Å; I550-Y625 HydrophobicContact CG2-CD1 3.92Å; I550-Y625 HydrophobicContact CG2-CG 3.97Å; I550-F680 HydrophobicContact CD1-CE1 4.36Å; I550-F680 HydrophobicContact CD1-CZ 4.22Å; I550-F680 HydrophobicContact CG2-CE1 4.3Å; I550-F680 HydrophobicContact CG2-CZ 4.15Å
551	I	94.7	Very high	95.3	Very high	43 Å²	43	45 Å²	45	22%	0.221	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	150.8	179.9	59.5	165.7	0	0	0	111.3	Y625 Q626 R628	I551-Y625 CarbonylContact O-C 3.53Å; I551-Y625 WeakPolarHBondContact O-CA 3.43Å; I551-Y625 WeakPolarHBondContact O-CD1 3.31Å; I551-Q626 HydrophobicContact CG1-CB 4.16Å; I551-Q626 WeakPolarHBondContact CG1-O 3.4Å; I551-Q626 PolarHBondContact N-O 3.28Å; I551-Q626 PolarHBondContact O-N 3.19Å; I551-R628 HydrophobicContact CD1-CG 4.47Å; I551-R628 HydrophobicContact CG1-CG 4.35Å
552	P	96.3	Very high	95.6	Very high	46 Å²	46	44.2 Å²	44.2	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	144	170	28.1	-34.4	0	0	0	110.8	Y625	P552-Y625 HydrophobicContact CB-CD1 4.45Å; P552-Y625 HydrophobicContact CB-CE1 4.22Å
553	V	96.2	Very high	95.8	Very high	61 Å²	61	51.4 Å²	51.4	37%	0.37	24%	0.238	S	C	.	.	S	Bend	trans	-85.9	-32.7	175.9	172.1	0	0	0	0	111.7	K624 Q626 I679	V553-K624 HydrophobicContact CB-CB 4.26Å; V553-K624 HydrophobicContact CB-CD 3.88Å; V553-K624 HydrophobicContact CB-CG 3.92Å; V553-K624 HydrophobicContact CG1-CD 3.73Å; V553-K624 HydrophobicContact CG1-CG 4.34Å; V553-K624 HydrophobicContact CG2-CD 4.29Å; V553-K624 HydrophobicContact CG2-CG 4.05Å; V553-K624 PolarHBondContact N-O 3.28Å; V553-Q626 HydrophobicContact CG2-CB 3.7Å; V553-I679 HydrophobicContact CG2-CD1 4.45Å; V553-I679 HydrophobicContact CG2-CG1 4.34Å; V553-I679 HydrophobicContact CG2-CG2 4.26Å
554	D	95.9	Very high	95.8	Very high	34 Å²	34	53.9 Å²	53.9	18%	0.182	24%	0.244	C	C	.	.	S	Bend	trans	-153.6	158.9	178.7	59	59.2	0	0	0	111	K556 Y558 K624	D554-K556 HydrophobicContact CB-CD 4.48Å; D554-K556 HydrophobicContact CB-CG 4.39Å; D554-K556 PolarHBondContact O-N 3.37Å; D554-K556 VanDerWaalsContact O-N 3.07Å; D554-K556 WeakPolarHBondContact OD1-CB 3.38Å; D554-K556 PolarHBondContact OD1-N 3.12Å; D554-K556 VanDerWaalsContact OD1-N 3.12Å; D554-Y558 WeakPolarHBondContact OD1-CE2 3.3Å; D554-Y558 PolarHBondContact OD2-OH 3.38Å; D554-K624 IonicContact OD2-NZ 3.95Å
555	C	95.4	Very high	95.9	Very high	67 Å²	67	57.9 Å²	57.9	45%	0.453	27%	0.272	S	S	.	.	S	Bend	trans	-82.8	40.8	177.5	-50.2	0	0	0	0	112.2	A573	C555-A573 PolarHBondContact O-N 3.43Å
556	K	97.2	Very high	96	Very high	98 Å²	98	59.9 Å²	59.9	43%	0.426	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.6	-178.1	-49.5	171	-177.2	169.3	0	111.8	D554 Y558 V569 G571 H623	D554-K556 HydrophobicContact CB-CD 4.48Å; D554-K556 HydrophobicContact CB-CG 4.39Å; D554-K556 PolarHBondContact O-N 3.37Å; D554-K556 VanDerWaalsContact O-N 3.07Å; D554-K556 WeakPolarHBondContact OD1-CB 3.38Å; D554-K556 PolarHBondContact OD1-N 3.12Å; D554-K556 VanDerWaalsContact OD1-N 3.12Å; K556-Y558 HydrophobicContact CB-CE2 4.13Å; K556-V569 HydrophobicContact CB-CG1 4.24Å; K556-V569 HydrophobicContact CD-CG1 4.4Å; K556-V569 HydrophobicContact CD-CG2 3.98Å; K556-G571 WeakPolarHBondContact CA-O 3.2Å; K556-H623 PolarHBondContact O-CD2 3.39Å
557	R	98	Very high	96.1	Very high	105 Å²	105	62.1 Å²	62.1	40%	0.396	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.2	168.2	-174.7	168.3	173.7	171.7	-2.8	109.1	A570 G571 K572 D574 M622	R557-A570 WeakPolarHBondContact O-CA 3.36Å; R557-A570 WeakPolarHBondContact O-CB 3.43Å; R557-A570 PolarHBondContact O-N 3.33Å; R557-G571 PolarHBondContact N-O 3.05Å; R557-G571 PolarHBondContact O-N 3.42Å; R557-K572 WeakPolarHBondContact CB-O 3.32Å; R557-D574 WeakPolarHBondContact CD-OD1 3.05Å; R557-D574 IonicContact CZ-OD1 3.8Å; R557-D574 IonicContact CZ-OD2 3.64Å; R557-D574 IonicContact NE-OD1 3.19Å; R557-D574 IonicContact NE-OD2 2.82Å; R557-D574 IonicContact NH1-OD1 3.69Å; R557-D574 PolarHBondContact NH1-OD1 3.25Å; R557-D574 IonicContact NH1-OD2 3.69Å; R557-D574 PolarHBondContact NH1-OD2 3.13Å; R557-M622 HydrophobicContact CG-CB 4.45Å
558	Y	98.5	Very high	96.2	Very high	20 Å²	20	65 Å²	65	8%	0.078	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	165.6	-175.5	-71.9	-96.1	0	0	0	112.7	D554 K556 W567 L568 V569 M622 K624 I681	D554-Y558 WeakPolarHBondContact OD1-CE2 3.3Å; D554-Y558 PolarHBondContact OD2-OH 3.38Å; K556-Y558 HydrophobicContact CB-CE2 4.13Å; Y558-W567 HydrophobicContact CD1-CB 4.47Å; Y558-L568 CarbonylContact C-O 3.6Å; Y558-L568 WeakPolarHBondContact CA-O 3.44Å; Y558-V569 HydrophobicContact CE1-CG2 4.16Å; Y558-M622 PolarHBondContact N-O 3.06Å; Y558-M622 WeakPolarHBondContact O-CB 3.46Å; Y558-K624 HydrophobicContact CD2-CB 4.49Å; Y558-K624 HydrophobicContact CE2-CB 3.97Å; Y558-K624 WeakPolarHBondContact OH-CE 3.34Å; Y558-K624 PolarHBondContact OH-NZ 2.8Å; Y558-I681 HydrophobicContact CG-CD1 4.42Å
559	R	98	Very high	96.3	Very high	150 Å²	150	68.5 Å²	68.5	57%	0.566	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.5	166.4	61.9	-175.9	173.6	168.3	0	109.6	L568 A570	R559-L568 HydrophobicContact CG-CB 4.24Å; R559-L568 PolarHBondContact N-O 3.09Å; R559-L568 PolarHBondContact O-N 3.45Å; R559-A570 HydrophobicContact CB-CB 4.04Å; R559-A570 HydrophobicContact CG-CB 3.9Å
560	Y	98.3	Very high	96.5	Very high	21 Å²	21	70.8 Å²	70.8	8%	0.082	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.1	173.7	-166.2	-107.1	0	0	0	110.5	Y562 S565 W567 Q687 N688	Y560-Y562 AromaticContact CD1-CD1 3.68Å; Y560-Y562 HydrophobicContact CD1-CD1 3.68Å; Y560-Y562 HydrophobicContact CD1-CD2 4.38Å; Y560-Y562 AromaticContact CD1-CE1 3.76Å; Y560-Y562 HydrophobicContact CD1-CE1 3.76Å; Y560-Y562 HydrophobicContact CD1-CE2 4.46Å; Y560-Y562 HydrophobicContact CD1-CG 4.01Å; Y560-Y562 AromaticContact CE1-CD1 3.76Å; Y560-Y562 HydrophobicContact CE1-CD1 3.76Å; Y560-Y562 HydrophobicContact CE1-CE1 4.09Å; Y560-Y562 HydrophobicContact CE1-CG 4.33Å; Y560-S565 VanDerWaalsContact CZ-C 3.49Å; Y560-S565 VanDerWaalsContact OH-C 3.25Å; Y560-S565 VanDerWaalsContact OH-CA 3.3Å; Y560-S565 WeakPolarHBondContact OH-CA 3.17Å; Y560-S565 PolarHBondContact OH-O 2.75Å; Y560-W567 AromaticContact CD2-CD1 3.96Å; Y560-W567 AromaticContact CD2-CD2 3.88Å; Y560-W567 HydrophobicContact CD2-CD2 3.88Å; Y560-W567 AromaticContact CD2-CE2 3.78Å; Y560-W567 HydrophobicContact CD2-CE3 4.48Å; Y560-W567 HydrophobicContact CD2-CG 4.03Å; Y560-W567 HydrophobicContact CD2-CZ2 4.35Å; Y560-W567 AromaticContact CD2-NE1 3.79Å; Y560-Q687 HydrophobicContact CD1-CB 3.83Å; Y560-Q687 HydrophobicContact CD2-CB 4.05Å; Y560-Q687 HydrophobicContact CE1-CB 4.48Å; Y560-Q687 WeakPolarHBondContact CE1-O 3.35Å; Y560-Q687 HydrophobicContact CG-CB 3.57Å; Y560-Q687 HydrophobicContact CG-CG 4.48Å; Y560-N688 HydrophobicContact CE2-CB 4.05Å
561	A	97.1	Very high	96.5	Very high	9 Å²	9	72.2 Å²	72.2	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	90.7	177.4	0	0	0	0	0	109.3	H563 R564 S565 S566 L568	A561-H563 VanDerWaalsContact C-N 3.27Å; A561-H563 PolarHBondContact O-N 2.9Å; A561-R564 HydrophobicContact CB-CB 4.47Å; A561-R564 CarbonylContact O-C 3.55Å; A561-R564 WeakPolarHBondContact O-CA 3.37Å; A561-R564 PolarHBondContact O-N 3.42Å; A561-S565 PolarHBondContact O-N 3.47Å; A561-S566 PolarHBondContact N-O 2.96Å; A561-S566 PolarHBondContact O-N 3.01Å; A561-L568 HydrophobicContact CB-CD1 3.66Å; A561-L568 HydrophobicContact CB-CG 3.95Å
562	Y	96	Very high	96.6	Very high	141 Å²	141	79.3 Å²	79.3	55%	0.553	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-50.7	-42.7	-176.4	-65.2	-81.2	0	0	0	113.6	Y560 R564 S565 Q687	Y560-Y562 AromaticContact CD1-CD1 3.68Å; Y560-Y562 HydrophobicContact CD1-CD1 3.68Å; Y560-Y562 HydrophobicContact CD1-CD2 4.38Å; Y560-Y562 AromaticContact CD1-CE1 3.76Å; Y560-Y562 HydrophobicContact CD1-CE1 3.76Å; Y560-Y562 HydrophobicContact CD1-CE2 4.46Å; Y560-Y562 HydrophobicContact CD1-CG 4.01Å; Y560-Y562 AromaticContact CE1-CD1 3.76Å; Y560-Y562 HydrophobicContact CE1-CD1 3.76Å; Y560-Y562 HydrophobicContact CE1-CE1 4.09Å; Y560-Y562 HydrophobicContact CE1-CG 4.33Å; Y562-R564 PolarHBondContact O-N 3.04Å; Y562-S565 PolarHBondContact O-N 3.36Å; Y562-S565 VanDerWaalsContact O-N 3.13Å; Y562-Q687 WeakPolarHBondContact CE1-O 3.36Å; Y562-Q687 PolarHBondContact OH-OE1 3.1Å
563	H	95	Very high	96.6	Very high	152 Å²	152	78.8 Å²	78.8	70%	0.704	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-66.7	-2.4	177.6	73.8	-83.5	0	0	0	115.1	A561	A561-H563 VanDerWaalsContact C-N 3.27Å; A561-H563 PolarHBondContact O-N 2.9Å
564	R	92.6	Very high	96.5	Very high	168 Å²	168	78.1 Å²	78.1	63%	0.634	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-132.7	7.8	174.5	-57.6	-179.3	-173.9	-145.3	-7.5	112.5	A561 Y562 S566	A561-R564 HydrophobicContact CB-CB 4.47Å; A561-R564 CarbonylContact O-C 3.55Å; A561-R564 WeakPolarHBondContact O-CA 3.37Å; A561-R564 PolarHBondContact O-N 3.42Å; Y562-R564 PolarHBondContact O-N 3.04Å; R564-S566 WeakPolarHBondContact CB-OG 3.35Å; R564-S566 VanDerWaalsContact O-CB 3.31Å; R564-S566 WeakPolarHBondContact O-CB 3.35Å; R564-S566 PolarHBondContact O-N 3.14Å; R564-S566 PolarHBondContact O-OG 2.85Å
565	S	94.4	Very high	96.2	Very high	87 Å²	87	81.9 Å²	81.9	61%	0.608	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.7	39.7	-173.5	-61.8	0	0	0	0	115.1	Y560 A561 Y562	Y560-S565 VanDerWaalsContact CZ-C 3.49Å; Y560-S565 VanDerWaalsContact OH-C 3.25Å; Y560-S565 VanDerWaalsContact OH-CA 3.3Å; Y560-S565 WeakPolarHBondContact OH-CA 3.17Å; Y560-S565 PolarHBondContact OH-O 2.75Å; A561-S565 PolarHBondContact O-N 3.47Å; Y562-S565 PolarHBondContact O-N 3.36Å; Y562-S565 VanDerWaalsContact O-N 3.13Å
566	S	96.3	Very high	95.5	Very high	43 Å²	43	85 Å²	85	30%	0.301	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.7	-167.9	45.8	0	0	0	0	114.4	A561 R564	A561-S566 PolarHBondContact N-O 2.96Å; A561-S566 PolarHBondContact O-N 3.01Å; R564-S566 WeakPolarHBondContact CB-OG 3.35Å; R564-S566 VanDerWaalsContact O-CB 3.31Å; R564-S566 WeakPolarHBondContact O-CB 3.35Å; R564-S566 PolarHBondContact O-N 3.14Å; R564-S566 PolarHBondContact O-OG 2.85Å
567	W	97.7	Very high	94.8	Very high	48 Å²	48	82.5 Å²	82.5	18%	0.182	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.6	178.9	-75.6	102.5	0	0	0	111.6	E517 Y558 Y560 M622 I681 V683 Q687	E517-W567 HydrophobicContact CG-CZ2 4.04Å; Y558-W567 HydrophobicContact CD1-CB 4.47Å; Y560-W567 AromaticContact CD2-CD1 3.96Å; Y560-W567 AromaticContact CD2-CD2 3.88Å; Y560-W567 HydrophobicContact CD2-CD2 3.88Å; Y560-W567 AromaticContact CD2-CE2 3.78Å; Y560-W567 HydrophobicContact CD2-CE3 4.48Å; Y560-W567 HydrophobicContact CD2-CG 4.03Å; Y560-W567 HydrophobicContact CD2-CZ2 4.35Å; Y560-W567 AromaticContact CD2-NE1 3.79Å; W567-M622 HydrophobicContact CH2-CE 3.84Å; W567-M622 HydrophobicContact CZ3-CE 3.73Å; W567-I681 HydrophobicContact CB-CD1 4.38Å; W567-I681 HydrophobicContact CD2-CD1 3.5Å; W567-I681 VanDerWaalsContact CD2-CD1 3.5Å; W567-I681 HydrophobicContact CE3-CD1 3.84Å; W567-I681 HydrophobicContact CG-CD1 3.77Å; W567-I681 HydrophobicContact CH2-CB 4.39Å; W567-I681 HydrophobicContact CH2-CD1 4.41Å; W567-I681 HydrophobicContact CH2-CG2 3.66Å; W567-I681 HydrophobicContact CZ2-CB 4.27Å; W567-I681 HydrophobicContact CZ2-CD1 4.17Å; W567-I681 HydrophobicContact CZ2-CG2 4.04Å; W567-I681 HydrophobicContact CZ3-CD1 4.27Å; W567-I681 HydrophobicContact CZ3-CG2 3.97Å; W567-V683 HydrophobicContact CH2-CG1 3.82Å; W567-V683 HydrophobicContact CZ2-CG1 4.22Å; W567-Q687 HydrophobicContact CH2-CB 4.26Å; W567-Q687 HydrophobicContact CH2-CG 3.6Å; W567-Q687 HydrophobicContact CZ2-CB 4.02Å; W567-Q687 HydrophobicContact CZ2-CG 3.82Å
568	L	97.1	Very high	94	Very high	61 Å²	61	88.6 Å²	88.6	32%	0.319	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.2	175.8	-57.9	-176.9	0	0	0	110.7	Y558 R559 A561	Y558-L568 CarbonylContact C-O 3.6Å; Y558-L568 WeakPolarHBondContact CA-O 3.44Å; R559-L568 HydrophobicContact CG-CB 4.24Å; R559-L568 PolarHBondContact N-O 3.09Å; R559-L568 PolarHBondContact O-N 3.45Å; A561-L568 HydrophobicContact CB-CD1 3.66Å; A561-L568 HydrophobicContact CB-CG 3.95Å
569	V	97.9	Very high	93.2	Very high	74 Å²	74	92.2 Å²	92.2	45%	0.448	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.1	167.2	179.9	0	0	0	0	109	K556 Y558	K556-V569 HydrophobicContact CB-CG1 4.24Å; K556-V569 HydrophobicContact CD-CG1 4.4Å; K556-V569 HydrophobicContact CD-CG2 3.98Å; Y558-V569 HydrophobicContact CE1-CG2 4.16Å
570	A	97	Very high	92.7	Very high	55 Å²	55	88.3 Å²	88.3	46%	0.455	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-31.6	176.5	0	0	0	0	0	112.4	R557 R559	R557-A570 WeakPolarHBondContact O-CA 3.36Å; R557-A570 WeakPolarHBondContact O-CB 3.43Å; R557-A570 PolarHBondContact O-N 3.33Å; R559-A570 HydrophobicContact CB-CB 4.04Å; R559-A570 HydrophobicContact CG-CB 3.9Å
571	G	96.9	Very high	92.2	Very high	34 Å²	34	88.8 Å²	88.8	35%	0.351	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-163.5	180	0	0	0	0	0	113.3	K556 R557	K556-G571 WeakPolarHBondContact CA-O 3.2Å; R557-G571 PolarHBondContact N-O 3.05Å; R557-G571 PolarHBondContact O-N 3.42Å
572	K	96.9	Very high	92.1	Very high	192 Å²	192	90.3 Å²	90.3	84%	0.835	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	156.4	166.8	-62.9	-176.1	179	-176.7	0	110.1	R557	R557-K572 WeakPolarHBondContact CB-O 3.32Å
573	A	96.1	Very high	91.9	Very high	35 Å²	35	84.9 Å²	84.9	29%	0.289	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-62.8	151.6	173.2	0	0	0	0	0	112.6	C555 H623	C555-A573 PolarHBondContact O-N 3.43Å; A573-H623 VanDerWaalsContact CA-NE2 3.28Å; A573-H623 WeakPolarHBondContact CA-NE2 3.45Å
574	D	94.1	Very high	92	Very high	47 Å²	47	78.2 Å²	78.2	25%	0.251	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-67.3	153.9	163.5	-62.1	-22	0	0	0	109.5	R557 E576 N620 H623	R557-D574 WeakPolarHBondContact CD-OD1 3.05Å; R557-D574 IonicContact CZ-OD1 3.8Å; R557-D574 IonicContact CZ-OD2 3.64Å; R557-D574 IonicContact NE-OD1 3.19Å; R557-D574 IonicContact NE-OD2 2.82Å; R557-D574 IonicContact NH1-OD1 3.69Å; R557-D574 PolarHBondContact NH1-OD1 3.25Å; R557-D574 IonicContact NH1-OD2 3.69Å; R557-D574 PolarHBondContact NH1-OD2 3.13Å; D574-E576 PolarHBondContact O-N 3.44Å; D574-N620 HydrophobicContact CB-CB 4.42Å; D574-N620 PolarHBondContact O-ND2 2.98Å; D574-H623 PolarHBondContact N-NE2 3.48Å; D574-H623 IonicContact OD2-CE1 2.71Å; D574-H623 PolarHBondContact OD2-CE1 3.09Å; D574-H623 VanDerWaalsContact OD2-CE1 3.31Å
575	P	90.8	Very high	92	Very high	112 Å²	112	73.4 Å²	73.4	73%	0.727	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-52	137.9	-174.5	-28.9	35.9	0	0	0	114.1	L577 N620	P575-L577 PolarHBondContact O-N 3.49Å; P575-N620 PolarHBondContact O-ND2 3.05Å
576	E	79.5	Confident	92	Very high	132 Å²	132	73.2 Å²	73.2	62%	0.617	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-64.8	128.8	-178.4	-70.2	-177.6	-175.7	0	0	111.4	D574	D574-E576 PolarHBondContact O-N 3.44Å
577	L	83.6	Confident	91.8	Very high	46 Å²	46	72.3 Å²	72.3	24%	0.241	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-80.4	157.4	178.7	-56.6	-177	0	0	0	110.3	P575 L579 V610 I618 N620	P575-L577 PolarHBondContact O-N 3.49Å; L577-L579 PolarHBondContact O-N 2.89Å; L577-V610 HydrophobicContact CD1-CG1 4.27Å; L577-V610 HydrophobicContact CD2-CG1 3.79Å; L577-I618 HydrophobicContact CD1-CB 3.97Å; L577-I618 HydrophobicContact CD1-CG2 3.5Å; L577-N620 WeakPolarHBondContact CD1-OD1 3.19Å; L577-N620 WeakPolarHBondContact CG-OD1 3.49Å
578	R	80	Confident	91.7	Very high	233 Å²	233	72.7 Å²	72.7	88%	0.879	39%	0.386	S	S	*	.			trans	-58.7	111.4	173.2	-64.6	-179.5	-174.7	170.3	2.1	109	R580	R578-R580 PolarHBondContact O-N 2.87Å
579	L	81.5	Confident	91.5	Very high	96 Å²	96	70 Å²	70	50%	0.503	37%	0.372	S	S	.	.			trans	-54.5	137.2	177.9	-68.6	174.9	0	0	0	110	L577	L577-L579 PolarHBondContact O-N 2.89Å
580	R	87.7	Confident	91.4	Very high	68 Å²	68	68.3 Å²	68.3	26%	0.257	36%	0.362	S	S	.	.			trans	-126.9	126.9	175.8	-73.9	179.8	174.2	-171.4	-5.1	108.8	R578 D612 Y616	R578-R580 PolarHBondContact O-N 2.87Å; R580-D612 IonicContact CZ-OD2 3.92Å; R580-D612 PolarHBondContact NH1-O 2.78Å; R580-D612 IonicContact NH1-OD2 3.31Å; R580-D612 PolarHBondContact NH1-OD2 3.43Å; R580-D612 PolarHBondContact NH2-O 3.06Å; R580-Y616 WeakPolarHBondContact CD-O 3.39Å; R580-Y616 PolarHBondContact NH1-O 3.5Å
581	H	88.1	Confident	91.3	Very high	32 Å²	32	65.7 Å²	65.7	15%	0.148	34%	0.34	C	S	.	.			trans	-77.2	164.1	164.1	68.8	-36.4	0	0	0	110.3	L547 M548 V583 L652 L658	L547-H581 HydrophobicContact CD1-CB 4.19Å; M548-H581 CarbonylContact O-C 3.6Å; M548-H581 WeakPolarHBondContact O-CA 3.25Å; H581-V583 VanDerWaalsContact CD2-CG2 3.46Å; H581-V583 WeakPolarHBondContact CD2-CG2 3.45Å; H581-L652 PolarHBondContact NE2-O 3.14Å; H581-L658 HydrophobicContact CB-CD2 4.34Å; H581-L658 WeakPolarHBondContact CE1-CD1 3.42Å; H581-L658 VanDerWaalsContact CE1-CD2 3.47Å; H581-L658 WeakPolarHBondContact CE1-CD2 3.25Å; H581-L658 VanDerWaalsContact CG-CD2 3.48Å; H581-L658 WeakPolarHBondContact ND1-CD2 3.31Å; H581-L658 WeakPolarHBondContact NE2-CD1 3.26Å; H581-L658 WeakPolarHBondContact NE2-CD2 3.32Å
582	Y	94.1	Very high	91.2	Very high	40 Å²	40	67.9 Å²	67.9	16%	0.157	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	108.2	166.5	174.4	-85.7	0	0	0	107.6	L547 M548 P585 F601 K603 L604	L547-Y582 CarbonylContact C-O 3.54Å; L547-Y582 WeakPolarHBondContact CA-O 3.03Å; L547-Y582 WeakPolarHBondContact CB-O 3.33Å; M548-Y582 PolarHBondContact N-O 3.5Å; M548-Y582 PolarHBondContact O-N 3.36Å; Y582-P585 WeakPolarHBondContact OH-CD 3.45Å; Y582-F601 AromaticContact CD1-CD1 3.72Å; Y582-F601 HydrophobicContact CD1-CD1 3.72Å; Y582-F601 HydrophobicContact CD1-CE1 4.12Å; Y582-F601 AromaticContact CE1-CD1 3.83Å; Y582-F601 HydrophobicContact CE1-CD1 3.83Å; Y582-F601 HydrophobicContact CE1-CE1 4.42Å; Y582-K603 VanDerWaalsContact OH-CB 3.26Å; Y582-K603 WeakPolarHBondContact OH-CB 3.32Å; Y582-L604 HydrophobicContact CD1-CB 4.32Å; Y582-L604 HydrophobicContact CD1-CD1 3.74Å; Y582-L604 HydrophobicContact CD1-CG 4.28Å; Y582-L604 HydrophobicContact CD2-CB 4.26Å; Y582-L604 HydrophobicContact CD2-CD1 4.26Å; Y582-L604 HydrophobicContact CD2-CG 4.03Å; Y582-L604 HydrophobicContact CE1-CB 4.31Å; Y582-L604 HydrophobicContact CE1-CD1 4.48Å; Y582-L604 HydrophobicContact CE2-CB 4.22Å; Y582-L604 HydrophobicContact CE2-CG 4.5Å; Y582-L604 HydrophobicContact CG-CB 4.31Å; Y582-L604 HydrophobicContact CG-CD1 3.62Å; Y582-L604 HydrophobicContact CG-CG 3.92Å
583	V	93.4	Very high	91.2	Very high	27 Å²	27	62.9 Å²	62.9	16%	0.164	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.3	171.8	-173.7	0	0	0	0	108.7	L547 H581 L653	L547-V583 HydrophobicContact CB-CB 4.43Å; L547-V583 HydrophobicContact CB-CG2 4.23Å; H581-V583 VanDerWaalsContact CD2-CG2 3.46Å; H581-V583 WeakPolarHBondContact CD2-CG2 3.45Å; V583-L653 HydrophobicContact CB-CD2 4.36Å; V583-L653 HydrophobicContact CG1-CD2 4.07Å; V583-L653 HydrophobicContact CG2-CD2 4.29Å
584	H	95.5	Very high	91.2	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.06	31%	0.307	C	S	.	.			trans	-65.5	126.3	175.3	-171.3	-79.6	0	0	0	109.1	V546 D586 S587 F589 V599 S600 F601	V546-H584 HydrophobicContact CB-CB 4.38Å; V546-H584 HydrophobicContact CG1-CB 4.48Å; V546-H584 WeakPolarHBondContact O-CB 3.24Å; V546-H584 PolarHBondContact O-N 2.84Å; H584-D586 WeakPolarHBondContact CE1-CB 3.3Å; H584-D586 IonicContact CE1-OD1 3.76Å; H584-D586 IonicContact CE1-OD2 2.99Å; H584-D586 PolarHBondContact CE1-OD2 3.22Å; H584-D586 PolarHBondContact ND1-N 2.88Å; H584-D586 IonicContact ND1-OD2 3.27Å; H584-D586 PolarHBondContact O-N 3.38Å; H584-S587 WeakPolarHBondContact O-CB 3.4Å; H584-S587 PolarHBondContact O-N 2.86Å; H584-S587 PolarHBondContact O-OG 2.99Å; H584-F589 HydrophobicContact CB-CE2 4.44Å; H584-F589 AromaticContact CE1-CZ 3.84Å; H584-F589 AromaticContact ND1-CE2 3.78Å; H584-F589 AromaticContact ND1-CZ 3.43Å; H584-F589 WeakPolarHBondContact ND1-CZ 3.37Å; H584-V599 HydrophobicContact CB-CG1 4.36Å; H584-V599 WeakPolarHBondContact CD2-CG1 3.29Å; H584-S600 PolarHBondContact CD2-O 3.46Å; H584-S600 PolarHBondContact NE2-N 2.88Å; H584-S600 VanDerWaalsContact NE2-N 3.17Å; H584-S600 PolarHBondContact NE2-O 3.09Å; H584-F601 HydrophobicContact CB-CE1 4.13Å
585	P	93.8	Very high	91.3	Very high	67 Å²	67	62.5 Å²	62.5	44%	0.435	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.6	-165.5	25.6	-36.3	0	0	0	114.6	Y582 K603	Y582-P585 WeakPolarHBondContact OH-CD 3.45Å; P585-K603 HydrophobicContact CG-CD 3.74Å
586	D	94.6	Very high	91.6	Very high	83 Å²	83	65.9 Å²	65.9	44%	0.444	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.6	179.3	-42.6	-22.8	0	0	0	110.9	H584 F589 K603	H584-D586 WeakPolarHBondContact CE1-CB 3.3Å; H584-D586 IonicContact CE1-OD1 3.76Å; H584-D586 IonicContact CE1-OD2 2.99Å; H584-D586 PolarHBondContact CE1-OD2 3.22Å; H584-D586 PolarHBondContact ND1-N 2.88Å; H584-D586 IonicContact ND1-OD2 3.27Å; H584-D586 PolarHBondContact O-N 3.38Å; D586-F589 HydrophobicContact CB-CE1 3.85Å; D586-F589 HydrophobicContact CB-CZ 3.8Å; D586-K603 IonicContact OD1-NZ 3.46Å
587	S	92.4	Very high	92.3	Very high	23 Å²	23	64.2 Å²	64.2	16%	0.161	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-77.4	149.4	169.5	-58.8	0	0	0	0	111.8	V546 H584	V546-S587 PolarHBondContact N-OG 2.94Å; V546-S587 PolarHBondContact O-OG 2.73Å; H584-S587 WeakPolarHBondContact O-CB 3.4Å; H584-S587 PolarHBondContact O-N 2.86Å; H584-S587 PolarHBondContact O-OG 2.99Å
588	P	94	Very high	92.9	Very high	57 Å²	57	65 Å²	65	37%	0.37	31%	0.31	S	S	.	.	S	Bend	cis	-76.8	137.2	-1.3	30.2	-34.4	0	0	0	113.2	Y544 L545 L634 M649	Y544-P588 WeakPolarHBondContact O-CA 3.08Å; L545-P588 HydrophobicContact CD2-CB 3.88Å; P588-L634 HydrophobicContact CB-CD1 4Å; P588-M649 HydrophobicContact CG-CE 4.45Å
589	F	94.4	Very high	93.8	Very high	4 Å²	4	54 Å²	54	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	163.1	172.2	-61.9	-83.2	0	0	0	111.3	K543 Y544 V546 H584 D586 Q593 L594 V599	K543-F589 CarbonylContact C-O 3.59Å; K543-F589 VanDerWaalsContact CA-O 3.29Å; K543-F589 WeakPolarHBondContact CA-O 3.47Å; Y544-F589 PolarHBondContact N-O 2.99Å; Y544-F589 PolarHBondContact O-N 3.36Å; V546-F589 HydrophobicContact CB-CD2 4.42Å; V546-F589 HydrophobicContact CB-CE2 4.22Å; V546-F589 HydrophobicContact CG2-CD2 4.11Å; V546-F589 HydrophobicContact CG2-CE2 4.29Å; H584-F589 HydrophobicContact CB-CE2 4.44Å; H584-F589 AromaticContact CE1-CZ 3.84Å; H584-F589 AromaticContact ND1-CE2 3.78Å; H584-F589 AromaticContact ND1-CZ 3.43Å; H584-F589 WeakPolarHBondContact ND1-CZ 3.37Å; D586-F589 HydrophobicContact CB-CE1 3.85Å; D586-F589 HydrophobicContact CB-CZ 3.8Å; F589-Q593 HydrophobicContact CB-CB 4.39Å; F589-Q593 HydrophobicContact CD1-CB 4.34Å; F589-L594 HydrophobicContact CB-CD1 4.1Å; F589-L594 HydrophobicContact CB-CD2 3.89Å; F589-L594 HydrophobicContact CB-CG 3.61Å; F589-L594 HydrophobicContact CD1-CD2 4.2Å; F589-L594 HydrophobicContact CD2-CD2 3.55Å; F589-L594 HydrophobicContact CD2-CG 4.21Å; F589-L594 HydrophobicContact CE2-CD2 4.01Å; F589-L594 HydrophobicContact CG-CD2 3.64Å; F589-L594 HydrophobicContact CG-CG 3.96Å; F589-L594 HydrophobicContact CZ-CD2 4.49Å; F589-V599 HydrophobicContact CE2-CG2 4.36Å; F589-V599 HydrophobicContact CZ-CG1 4.49Å; F589-V599 HydrophobicContact CZ-CG2 4.29Å
590	T	95	Very high	94.6	Very high	38 Å²	38	51 Å²	51	23%	0.233	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	158.4	157.2	70	0	0	0	0	111.3	A542 E592 Q593 L594	A542-T590 CarbonylContact O-C 3.54Å; A542-T590 WeakPolarHBondContact O-CA 3.26Å; T590-E592 PolarHBondContact O-N 3.25Å; T590-Q593 PolarHBondContact O-N 2.85Å; T590-Q593 VanDerWaalsContact O-N 3.15Å; T590-Q593 VanDerWaalsContact OG1-CG 3.32Å; T590-Q593 WeakPolarHBondContact OG1-CG 3.47Å; T590-Q593 PolarHBondContact OG1-N 3.4Å; T590-Q593 VanDerWaalsContact OG1-N 3.12Å; T590-L594 PolarHBondContact O-N 3.27Å; T590-L594 VanDerWaalsContact O-N 3.1Å
591	G	94.6	Very high	95	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-36.5	172.9	0	0	0	0	0	112.3	S540 A542 L594 M595	S540-G591 PolarHBondContact O-N 3.45Å; A542-G591 PolarHBondContact O-N 2.77Å; G591-L594 PolarHBondContact O-N 2.77Å; G591-M595 WeakPolarHBondContact O-CG 3.41Å; G591-M595 PolarHBondContact O-N 2.78Å; G591-M595 VanDerWaalsContact O-N 3.12Å
592	E	95.4	Very high	95.4	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-46.3	174	-164.3	-170	-150.2	0	0	112.3	S540 T590 L594 M595 R596	S540-E592 PolarHBondContact O-N 3.05Å; S540-E592 VanDerWaalsContact O-N 3.09Å; T590-E592 PolarHBondContact O-N 3.25Å; E592-L594 VanDerWaalsContact C-N 3.31Å; E592-L594 PolarHBondContact O-N 2.94Å; E592-M595 PolarHBondContact O-N 3.18Å; E592-R596 VanDerWaalsContact CD-CZ 3.44Å; E592-R596 HydrophobicContact CG-CG 4.31Å; E592-R596 WeakPolarHBondContact O-CB 3.47Å; E592-R596 VanDerWaalsContact O-CG 3.3Å; E592-R596 WeakPolarHBondContact O-CG 3.46Å; E592-R596 PolarHBondContact O-N 2.78Å; E592-R596 IonicContact OE1-CZ 3.56Å; E592-R596 VanDerWaalsContact OE1-CZ 3.27Å; E592-R596 IonicContact OE1-NE 2.29Å; E592-R596 PolarHBondContact OE1-NE 2.88Å; E592-R596 VanDerWaalsContact OE1-NE 3.16Å; E592-R596 IonicContact OE1-NH2 4Å; E592-R596 PolarHBondContact OE1-NH2 3.15Å; E592-R596 IonicContact OE2-CZ 3.89Å; E592-R596 IonicContact OE2-NE 3.71Å; E592-R596 PolarHBondContact OE2-NE 3.44Å; E592-R596 IonicContact OE2-NH2 2.77Å; E592-R596 PolarHBondContact OE2-NH2 3.38Å; E592-R596 VanDerWaalsContact OE2-NH2 3.15Å
593	Q	96.2	Very high	95.5	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-43.9	177.8	-74.3	167.4	-11	0	0	111.6	F589 T590 M595 R596 Q597	F589-Q593 HydrophobicContact CB-CB 4.39Å; F589-Q593 HydrophobicContact CD1-CB 4.34Å; T590-Q593 PolarHBondContact O-N 2.85Å; T590-Q593 VanDerWaalsContact O-N 3.15Å; T590-Q593 VanDerWaalsContact OG1-CG 3.32Å; T590-Q593 WeakPolarHBondContact OG1-CG 3.47Å; T590-Q593 PolarHBondContact OG1-N 3.4Å; T590-Q593 VanDerWaalsContact OG1-N 3.12Å; Q593-M595 VanDerWaalsContact C-N 3.33Å; Q593-M595 PolarHBondContact O-N 2.68Å; Q593-R596 PolarHBondContact O-N 2.89Å; Q593-Q597 WeakPolarHBondContact O-CG 3.36Å; Q593-Q597 PolarHBondContact O-N 2.79Å
594	L	96.6	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-25.6	178.8	-73.4	179.6	0	0	0	114.5	F535 L538 Y544 V546 F589 T590 G591 E592 V599 L631	F535-L594 HydrophobicContact CB-CB 4.42Å; F535-L594 HydrophobicContact CD2-CB 4.43Å; F535-L594 HydrophobicContact CD2-CD2 4.11Å; F535-L594 HydrophobicContact CE2-CD2 4.33Å; L538-L594 HydrophobicContact CD1-CB 3.26Å; L538-L594 HydrophobicContact CD1-CD1 3.77Å; L538-L594 HydrophobicContact CD1-CG 4.16Å; Y544-L594 HydrophobicContact CD2-CD1 4.16Å; Y544-L594 HydrophobicContact CG-CD1 4.08Å; V546-L594 HydrophobicContact CG2-CD1 3.93Å; V546-L594 HydrophobicContact CG2-CD2 3.81Å; F589-L594 HydrophobicContact CB-CD1 4.1Å; F589-L594 HydrophobicContact CB-CD2 3.89Å; F589-L594 HydrophobicContact CB-CG 3.61Å; F589-L594 HydrophobicContact CD1-CD2 4.2Å; F589-L594 HydrophobicContact CD2-CD2 3.55Å; F589-L594 HydrophobicContact CD2-CG 4.21Å; F589-L594 HydrophobicContact CE2-CD2 4.01Å; F589-L594 HydrophobicContact CG-CD2 3.64Å; F589-L594 HydrophobicContact CG-CG 3.96Å; F589-L594 HydrophobicContact CZ-CD2 4.49Å; T590-L594 PolarHBondContact O-N 3.27Å; T590-L594 VanDerWaalsContact O-N 3.1Å; G591-L594 PolarHBondContact O-N 2.77Å; E592-L594 VanDerWaalsContact C-N 3.31Å; E592-L594 PolarHBondContact O-N 2.94Å; L594-V599 HydrophobicContact CD2-CG2 3.41Å; L594-V599 VanDerWaalsContact CD2-CG2 3.41Å; L594-L631 HydrophobicContact CD1-CD1 3.66Å
595	M	96.5	Very high	95.8	Very high	73 Å²	73	54.5 Å²	54.5	36%	0.36	27%	0.272	S	S	.	.	H	α-helix	trans	-84.9	-24.1	172.5	-68.1	-170.3	-69.2	0	0	112.7	L538 G591 E592 Q593	L538-M595 HydrophobicContact CB-CE 4.06Å; L538-M595 HydrophobicContact CB-CG 4.03Å; L538-M595 HydrophobicContact CB-SD 3.94Å; L538-M595 HydrophobicContact CD1-CG 4.03Å; L538-M595 HydrophobicContact CG-CG 4.16Å; L538-M595 PolarHBondContact N-SD 3.13Å; L538-M595 VanDerWaalsContact N-SD 3.44Å; L538-M595 VanDerWaalsContact O-CE 3.29Å; L538-M595 WeakPolarHBondContact O-CE 3.48Å; G591-M595 WeakPolarHBondContact O-CG 3.41Å; G591-M595 PolarHBondContact O-N 2.78Å; G591-M595 VanDerWaalsContact O-N 3.12Å; E592-M595 PolarHBondContact O-N 3.18Å; Q593-M595 VanDerWaalsContact C-N 3.33Å; Q593-M595 PolarHBondContact O-N 2.68Å
596	R	96.1	Very high	96	Very high	184 Å²	184	51.3 Å²	51.3	69%	0.694	25%	0.251	S	S	*	.	H	α-helix	trans	-79.8	-23.3	177.7	-75.3	175.4	176.2	-152.6	9.2	114	E592 Q593	E592-R596 VanDerWaalsContact CD-CZ 3.44Å; E592-R596 HydrophobicContact CG-CG 4.31Å; E592-R596 WeakPolarHBondContact O-CB 3.47Å; E592-R596 VanDerWaalsContact O-CG 3.3Å; E592-R596 WeakPolarHBondContact O-CG 3.46Å; E592-R596 PolarHBondContact O-N 2.78Å; E592-R596 IonicContact OE1-CZ 3.56Å; E592-R596 VanDerWaalsContact OE1-CZ 3.27Å; E592-R596 IonicContact OE1-NE 2.29Å; E592-R596 PolarHBondContact OE1-NE 2.88Å; E592-R596 VanDerWaalsContact OE1-NE 3.16Å; E592-R596 IonicContact OE1-NH2 4Å; E592-R596 PolarHBondContact OE1-NH2 3.15Å; E592-R596 IonicContact OE2-CZ 3.89Å; E592-R596 IonicContact OE2-NE 3.71Å; E592-R596 PolarHBondContact OE2-NE 3.44Å; E592-R596 IonicContact OE2-NH2 2.77Å; E592-R596 PolarHBondContact OE2-NH2 3.38Å; E592-R596 VanDerWaalsContact OE2-NH2 3.15Å; Q593-R596 PolarHBondContact O-N 2.89Å
597	Q	94.9	Very high	96.1	Very high	97 Å²	97	47.3 Å²	47.3	45%	0.453	23%	0.23	S	C	.	.	S	Bend	trans	-142.7	150.9	-175	79.2	-170.1	-3.2	0	0	114.4	Q593	Q593-Q597 WeakPolarHBondContact O-CG 3.36Å; Q593-Q597 PolarHBondContact O-N 2.79Å
598	T	97.2	Very high	96.3	Very high	62 Å²	62	49.3 Å²	49.3	38%	0.38	24%	0.238	S	C	.	.			trans	-72.9	125.6	167.7	-57	0	0	0	0	110.9	E503 R532 S534	E503-T598 HydrophobicContact CB-CG2 4.35Å; E503-T598 HydrophobicContact CG-CG2 3.62Å; R532-T598 HydrophobicContact CB-CG2 3.8Å; S534-T598 PolarHBondContact OG-OG1 3.46Å
599	V	97.6	Very high	96.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.2	171.3	-176.9	0	0	0	0	109.7	R532 A533 F535 V546 H584 F589 L594	R532-V599 CarbonylContact C-O 3.49Å; R532-V599 VanDerWaalsContact CA-O 3.3Å; R532-V599 WeakPolarHBondContact CA-O 3.19Å; A533-V599 PolarHBondContact N-O 2.87Å; A533-V599 PolarHBondContact O-N 2.93Å; F535-V599 HydrophobicContact CD2-CG2 4.23Å; F535-V599 HydrophobicContact CE2-CB 4.25Å; F535-V599 HydrophobicContact CE2-CG2 3.88Å; V546-V599 HydrophobicContact CG1-CG1 4.06Å; H584-V599 HydrophobicContact CB-CG1 4.36Å; H584-V599 WeakPolarHBondContact CD2-CG1 3.29Å; F589-V599 HydrophobicContact CE2-CG2 4.36Å; F589-V599 HydrophobicContact CZ-CG1 4.49Å; F589-V599 HydrophobicContact CZ-CG2 4.29Å; L594-V599 HydrophobicContact CD2-CG2 3.41Å; L594-V599 VanDerWaalsContact CD2-CG2 3.41Å
600	S	97.6	Very high	96.2	Very high	32 Å²	32	52.4 Å²	52.4	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.7	-173.2	-178.5	0	0	0	0	112.7	H584 E602	H584-S600 PolarHBondContact CD2-O 3.46Å; H584-S600 PolarHBondContact NE2-N 2.88Å; H584-S600 VanDerWaalsContact NE2-N 3.17Å; H584-S600 PolarHBondContact NE2-O 3.09Å; S600-E602 VanDerWaalsContact C-N 3.25Å; S600-E602 PolarHBondContact O-N 3.15Å
601	F	97.6	Very high	96	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	28%	0.278	C	S	.	.			trans	-87.5	26.3	179.3	-65.3	-80.8	0	0	0	113.4	I531 V546 M548 Y582 H584 K603 L604 V629	I531-F601 HydrophobicContact CB-CD2 4.31Å; I531-F601 HydrophobicContact CG2-CD2 4.02Å; I531-F601 PolarHBondContact O-N 3.05Å; V546-F601 HydrophobicContact CG1-CZ 3.82Å; M548-F601 HydrophobicContact CB-CD1 3.95Å; M548-F601 HydrophobicContact CB-CE1 3.62Å; M548-F601 HydrophobicContact CB-CE2 4.41Å; M548-F601 HydrophobicContact CB-CG 4.48Å; M548-F601 HydrophobicContact CB-CZ 3.86Å; M548-F601 HydrophobicContact SD-CB 4.39Å; M548-F601 HydrophobicContact SD-CD1 4.4Å; M548-F601 HydrophobicContact SD-CD2 4.25Å; M548-F601 HydrophobicContact SD-CG 4.1Å; Y582-F601 AromaticContact CD1-CD1 3.72Å; Y582-F601 HydrophobicContact CD1-CD1 3.72Å; Y582-F601 HydrophobicContact CD1-CE1 4.12Å; Y582-F601 AromaticContact CE1-CD1 3.83Å; Y582-F601 HydrophobicContact CE1-CD1 3.83Å; Y582-F601 HydrophobicContact CE1-CE1 4.42Å; H584-F601 HydrophobicContact CB-CE1 4.13Å; F601-K603 PolarHBondContact O-N 3.28Å; F601-K603 VanDerWaalsContact O-N 3.15Å; F601-L604 HydrophobicContact CB-CB 4.37Å; F601-L604 HydrophobicContact CB-CD1 4.44Å; F601-L604 HydrophobicContact CD1-CD1 4.44Å; F601-L604 WeakPolarHBondContact O-CB 3.43Å; F601-L604 PolarHBondContact O-N 3.33Å; F601-V629 HydrophobicContact CE2-CG1 4.14Å; F601-V629 HydrophobicContact CE2-CG2 3.95Å; F601-V629 HydrophobicContact CZ-CG1 4.21Å
602	E	96.6	Very high	95.9	Very high	87 Å²	87	57.4 Å²	57.4	41%	0.407	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.9	-176.5	-165.3	-147.8	122	0	0	114.5	R526 V530 S600 L604	R526-E602 WeakPolarHBondContact CD-O 3.37Å; R526-E602 IonicContact CZ-OE1 2.67Å; R526-E602 PolarHBondContact NE-O 2.89Å; R526-E602 IonicContact NH1-OE1 3.49Å; R526-E602 PolarHBondContact NH1-OE1 3.49Å; R526-E602 IonicContact NH2-OE1 3.16Å; R526-E602 PolarHBondContact NH2-OE1 2.78Å; V530-E602 HydrophobicContact CG1-CB 4Å; V530-E602 HydrophobicContact CG2-CG 4.33Å; S600-E602 VanDerWaalsContact C-N 3.25Å; S600-E602 PolarHBondContact O-N 3.15Å; E602-L604 VanDerWaalsContact C-N 3.31Å
603	K	96.2	Very high	95.6	Very high	111 Å²	111	64.8 Å²	64.8	48%	0.483	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.6	179.4	-68	164.5	-176.2	166.9	0	112.8	Y582 P585 D586 F601	Y582-K603 VanDerWaalsContact OH-CB 3.26Å; Y582-K603 WeakPolarHBondContact OH-CB 3.32Å; P585-K603 HydrophobicContact CG-CD 3.74Å; D586-K603 IonicContact OD1-NZ 3.46Å; F601-K603 PolarHBondContact O-N 3.28Å; F601-K603 VanDerWaalsContact O-N 3.15Å
604	L	97	Very high	95.4	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	31%	0.312	C	S	.	.			trans	-66.2	142.7	-178.7	-168.7	153.2	0	0	0	111.4	M527 M548 Y582 F601 E602 L606 I617	M527-L604 HydrophobicContact CE-CD2 4.07Å; M527-L604 HydrophobicContact CG-CD2 4.27Å; M527-L604 HydrophobicContact SD-CD2 4.09Å; M548-L604 HydrophobicContact CB-CD1 4.34Å; M548-L604 HydrophobicContact CE-CD1 3.51Å; M548-L604 HydrophobicContact CE-CD2 4.36Å; M548-L604 HydrophobicContact SD-CD1 3.84Å; Y582-L604 HydrophobicContact CD1-CB 4.32Å; Y582-L604 HydrophobicContact CD1-CD1 3.74Å; Y582-L604 HydrophobicContact CD1-CG 4.28Å; Y582-L604 HydrophobicContact CD2-CB 4.26Å; Y582-L604 HydrophobicContact CD2-CD1 4.26Å; Y582-L604 HydrophobicContact CD2-CG 4.03Å; Y582-L604 HydrophobicContact CE1-CB 4.31Å; Y582-L604 HydrophobicContact CE1-CD1 4.48Å; Y582-L604 HydrophobicContact CE2-CB 4.22Å; Y582-L604 HydrophobicContact CE2-CG 4.5Å; Y582-L604 HydrophobicContact CG-CB 4.31Å; Y582-L604 HydrophobicContact CG-CD1 3.62Å; Y582-L604 HydrophobicContact CG-CG 3.92Å; F601-L604 HydrophobicContact CB-CB 4.37Å; F601-L604 HydrophobicContact CB-CD1 4.44Å; F601-L604 HydrophobicContact CD1-CD1 4.44Å; F601-L604 WeakPolarHBondContact O-CB 3.43Å; F601-L604 PolarHBondContact O-N 3.33Å; E602-L604 VanDerWaalsContact C-N 3.31Å; L604-L606 HydrophobicContact CD2-CD2 3.67Å; L604-L606 HydrophobicContact CD2-CG 4.49Å; L604-I617 HydrophobicContact CD1-CD1 4.01Å; L604-I617 HydrophobicContact CD2-CD1 4.22Å; L604-I617 HydrophobicContact CG-CD1 4.37Å
605	K	97.6	Very high	95	Very high	53 Å²	53	68 Å²	68	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144	178.1	-80.2	173.1	156.2	-155.3	0	112.5	S523 G524 R525 R526 Y616 I617	S523-K605 PolarHBondContact O-NZ 3.39Å; G524-K605 WeakPolarHBondContact O-CD 3.22Å; G524-K605 WeakPolarHBondContact O-CE 3.45Å; G524-K605 PolarHBondContact O-NZ 3.25Å; R525-K605 CarbonylContact O-C 3.33Å; R525-K605 VanDerWaalsContact O-CA 3.28Å; R525-K605 WeakPolarHBondContact O-CA 3.37Å; R526-K605 HydrophobicContact CG-CG 4.4Å; K605-Y616 HydrophobicContact CB-CD1 3.8Å; K605-Y616 HydrophobicContact CB-CD2 4.2Å; K605-Y616 HydrophobicContact CB-CE1 4.16Å; K605-Y616 HydrophobicContact CB-CG 3.82Å; K605-Y616 HydrophobicContact CD-CD1 4.01Å; K605-Y616 HydrophobicContact CD-CD2 4.1Å; K605-Y616 HydrophobicContact CD-CE1 3.51Å; K605-Y616 HydrophobicContact CD-CE2 3.58Å; K605-Y616 HydrophobicContact CD-CG 4.29Å; K605-Y616 WeakPolarHBondContact CD-OH 3.41Å; K605-Y616 HydrophobicContact CG-CE1 4.42Å; K605-Y616 PolarHBondContact NZ-OH 3.24Å; K605-I617 PolarHBondContact O-N 3.17Å; K605-I617 VanDerWaalsContact O-N 3.11Å
606	L	98	Very high	94.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.9	174.1	-49.5	-176.3	0	0	0	110.4	M518 I520 G524 R525 M527 I550 L604 I617 L619 F680	M518-L606 HydrophobicContact CB-CD1 3.94Å; M518-L606 HydrophobicContact CG-CD1 4.43Å; I520-L606 HydrophobicContact CG2-CB 3.79Å; I520-L606 HydrophobicContact CG2-CD1 4.39Å; G524-L606 CarbonylContact C-O 3.46Å; G524-L606 WeakPolarHBondContact CA-O 3.33Å; R525-L606 PolarHBondContact N-O 3.16Å; R525-L606 PolarHBondContact O-N 3.24Å; M527-L606 HydrophobicContact CG-CD1 3.88Å; M527-L606 HydrophobicContact CG-CD2 4.32Å; M527-L606 HydrophobicContact CG-CG 4Å; M527-L606 HydrophobicContact SD-CD1 4.46Å; M527-L606 HydrophobicContact SD-CD2 4.41Å; I550-L606 HydrophobicContact CD1-CD2 3.44Å; I550-L606 VanDerWaalsContact CD1-CD2 3.44Å; L604-L606 HydrophobicContact CD2-CD2 3.67Å; L604-L606 HydrophobicContact CD2-CG 4.49Å; L606-I617 CarbonylContact C-O 3.51Å; L606-I617 WeakPolarHBondContact CA-O 3.49Å; L606-I617 HydrophobicContact CD2-CB 4.24Å; L606-L619 HydrophobicContact CB-CD1 4.33Å; L606-L619 HydrophobicContact CD1-CD1 3.98Å; L606-L619 HydrophobicContact CD2-CD1 4.06Å; L606-L619 HydrophobicContact CG-CD1 4.35Å; L606-F680 HydrophobicContact CD1-CE2 4.07Å; L606-F680 HydrophobicContact CD1-CZ 3.85Å
607	T	97.3	Very high	94.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.9	179	-171	0	0	0	0	112.7	T521 N609 D612 I617 I618 L619	T521-T607 WeakPolarHBondContact O-CA 3.49Å; T521-T607 VanDerWaalsContact O-CB 3.25Å; T521-T607 WeakPolarHBondContact O-CB 3.42Å; T521-T607 PolarHBondContact O-OG1 3.06Å; T607-N609 HydrophobicContact CG2-CB 4.42Å; T607-N609 WeakPolarHBondContact OG1-CB 3.29Å; T607-N609 PolarHBondContact OG1-N 3Å; T607-D612 HydrophobicContact CG2-CB 3.98Å; T607-I617 PolarHBondContact N-O 3.39Å; T607-I618 HydrophobicContact CG2-CB 4.27Å; T607-I618 HydrophobicContact CG2-CG1 3.95Å; T607-I618 HydrophobicContact CG2-CG2 4.19Å; T607-I618 CarbonylContact O-C 3.53Å; T607-I618 VanDerWaalsContact O-CA 3.31Å; T607-I618 WeakPolarHBondContact O-CA 3.4Å; T607-L619 PolarHBondContact O-N 2.93Å
608	N	96	Very high	94.9	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.342	27%	0.274	S	S	.	.			trans	-97.6	3.1	166	63.6	-27.9	0	0	0	112.7	I520 K522 V610	I520-N608 HydrophobicContact CD1-CB 3.76Å; I520-N608 HydrophobicContact CG1-CB 4.06Å; K522-N608 PolarHBondContact N-OD1 2.96Å; K522-N608 VanDerWaalsContact N-OD1 3.09Å; N608-V610 PolarHBondContact O-N 2.95Å
609	N	94.9	Very high	94.9	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.203	26%	0.256	C	S	.	.			trans	-81.7	100.5	-179.2	-179.7	19.3	0	0	0	110.9	K522 T607 L611 D612 I618	K522-N609 HydrophobicContact CG-CB 4.39Å; T607-N609 HydrophobicContact CG2-CB 4.42Å; T607-N609 WeakPolarHBondContact OG1-CB 3.29Å; T607-N609 PolarHBondContact OG1-N 3Å; N609-L611 PolarHBondContact O-N 3.02Å; N609-L611 VanDerWaalsContact O-N 3.1Å; N609-L611 PolarHBondContact OD1-N 3.18Å; N609-L611 VanDerWaalsContact OD1-N 3.1Å; N609-D612 HydrophobicContact CB-CB 4.31Å; N609-D612 WeakPolarHBondContact ND2-CA 3.48Å; N609-D612 PolarHBondContact ND2-N 2.72Å; N609-D612 VanDerWaalsContact O-CB 3.28Å; N609-D612 WeakPolarHBondContact O-CB 3.12Å; N609-D612 PolarHBondContact O-N 2.74Å; N609-I618 WeakPolarHBondContact O-CD1 3.44Å; N609-I618 WeakPolarHBondContact O-CG2 3.5Å
610	V	91.7	Very high	94.9	Very high	89 Å²	89	53.4 Å²	53.4	54%	0.539	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	176.2	-57.2	0	0	0	0	114	L577 N608 I618	L577-V610 HydrophobicContact CD1-CG1 4.27Å; L577-V610 HydrophobicContact CD2-CG1 3.79Å; N608-V610 PolarHBondContact O-N 2.95Å; V610-I618 HydrophobicContact CG1-CG2 4.46Å
611	L	91	Very high	94.9	Very high	136 Å²	136	53.1 Å²	53.1	71%	0.712	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	22.5	176.3	-53.9	-178.9	0	0	0	112.8	N609 R613	N609-L611 PolarHBondContact O-N 3.02Å; N609-L611 VanDerWaalsContact O-N 3.1Å; N609-L611 PolarHBondContact OD1-N 3.18Å; N609-L611 VanDerWaalsContact OD1-N 3.1Å; L611-R613 PolarHBondContact O-N 3.11Å
612	D	91	Very high	94.9	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.032	27%	0.266	C	S	.	.			trans	-58	127.4	176.1	177.1	92.8	0	0	0	111.6	R580 T607 N609 Q614 G615 Y616 I618	R580-D612 IonicContact CZ-OD2 3.92Å; R580-D612 PolarHBondContact NH1-O 2.78Å; R580-D612 IonicContact NH1-OD2 3.31Å; R580-D612 PolarHBondContact NH1-OD2 3.43Å; R580-D612 PolarHBondContact NH2-O 3.06Å; T607-D612 HydrophobicContact CG2-CB 3.98Å; N609-D612 HydrophobicContact CB-CB 4.31Å; N609-D612 WeakPolarHBondContact ND2-CA 3.48Å; N609-D612 PolarHBondContact ND2-N 2.72Å; N609-D612 VanDerWaalsContact O-CB 3.28Å; N609-D612 WeakPolarHBondContact O-CB 3.12Å; N609-D612 PolarHBondContact O-N 2.74Å; D612-Q614 PolarHBondContact OD1-OE1 2.98Å; D612-Q614 PolarHBondContact OD2-N 3.38Å; D612-G615 PolarHBondContact OD2-N 3.47Å; D612-Y616 WeakPolarHBondContact OD1-CD2 3.48Å; D612-Y616 PolarHBondContact OD2-N 3.5Å; D612-I618 HydrophobicContact CB-CD1 4.28Å; D612-I618 HydrophobicContact CB-CG1 4.37Å
613	R	90.7	Very high	95	Very high	236 Å²	236	50.6 Å²	50.6	89%	0.891	25%	0.249	S	C	*	.			trans	-105	1.6	178.1	-60.4	-172.7	-178	-170.3	-0.7	112.6	L611	L611-R613 PolarHBondContact O-N 3.11Å
614	Q	90.6	Very high	95.1	Very high	121 Å²	121	47.8 Å²	47.8	57%	0.565	24%	0.236	S	C	*	.	S	Bend	trans	-93.6	-6.3	-172.8	-74.5	67.6	25.6	0	0	112.6	D612 Y616	D612-Q614 PolarHBondContact OD1-OE1 2.98Å; D612-Q614 PolarHBondContact OD2-N 3.38Å; Q614-Y616 HydrophobicContact CB-CD1 4.06Å; Q614-Y616 HydrophobicContact CB-CD2 3.91Å; Q614-Y616 HydrophobicContact CB-CE1 3.8Å; Q614-Y616 HydrophobicContact CB-CE2 3.67Å; Q614-Y616 HydrophobicContact CB-CG 4.11Å; Q614-Y616 HydrophobicContact CG-CE2 4.1Å
615	G	89.1	Confident	95.1	Very high	35 Å²	35	48.5 Å²	48.5	36%	0.361	24%	0.239	S	C	.	.			trans	78.9	19.8	-177.6	0	0	0	0	0	113.2	D612	D612-G615 PolarHBondContact OD2-N 3.47Å
616	Y	94.9	Very high	95.2	Very high	59 Å²	59	46.9 Å²	46.9	23%	0.231	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-74	151.4	176.8	-58.8	-22.9	0	0	0	110.9	S523 R580 K605 D612 Q614 I618	S523-Y616 WeakPolarHBondContact O-CE2 3.41Å; R580-Y616 WeakPolarHBondContact CD-O 3.39Å; R580-Y616 PolarHBondContact NH1-O 3.5Å; K605-Y616 HydrophobicContact CB-CD1 3.8Å; K605-Y616 HydrophobicContact CB-CD2 4.2Å; K605-Y616 HydrophobicContact CB-CE1 4.16Å; K605-Y616 HydrophobicContact CB-CG 3.82Å; K605-Y616 HydrophobicContact CD-CD1 4.01Å; K605-Y616 HydrophobicContact CD-CD2 4.1Å; K605-Y616 HydrophobicContact CD-CE1 3.51Å; K605-Y616 HydrophobicContact CD-CE2 3.58Å; K605-Y616 HydrophobicContact CD-CG 4.29Å; K605-Y616 WeakPolarHBondContact CD-OH 3.41Å; K605-Y616 HydrophobicContact CG-CE1 4.42Å; K605-Y616 PolarHBondContact NZ-OH 3.24Å; D612-Y616 WeakPolarHBondContact OD1-CD2 3.48Å; D612-Y616 PolarHBondContact OD2-N 3.5Å; Q614-Y616 HydrophobicContact CB-CD1 4.06Å; Q614-Y616 HydrophobicContact CB-CD2 3.91Å; Q614-Y616 HydrophobicContact CB-CE1 3.8Å; Q614-Y616 HydrophobicContact CB-CE2 3.67Å; Q614-Y616 HydrophobicContact CB-CG 4.11Å; Q614-Y616 HydrophobicContact CG-CE2 4.1Å; Y616-I618 PolarHBondContact O-N 3.24Å
617	I	95.4	Very high	95.1	Very high	5 Å²	5	47 Å²	47	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.3	177.5	-57.1	-173.6	0	0	0	108.1	I550 L604 K605 L606 T607 L619	I550-I617 HydrophobicContact CB-CG2 4.27Å; I550-I617 HydrophobicContact CD1-CD1 4Å; I550-I617 HydrophobicContact CD1-CG2 4.21Å; I550-I617 HydrophobicContact CG1-CD1 4.01Å; I550-I617 HydrophobicContact CG1-CG2 4.42Å; L604-I617 HydrophobicContact CD1-CD1 4.01Å; L604-I617 HydrophobicContact CD2-CD1 4.22Å; L604-I617 HydrophobicContact CG-CD1 4.37Å; K605-I617 PolarHBondContact O-N 3.17Å; K605-I617 VanDerWaalsContact O-N 3.11Å; L606-I617 CarbonylContact C-O 3.51Å; L606-I617 WeakPolarHBondContact CA-O 3.49Å; L606-I617 HydrophobicContact CD2-CB 4.24Å; T607-I617 PolarHBondContact N-O 3.39Å; I617-L619 HydrophobicContact CG2-CD2 4.02Å; I617-L619 HydrophobicContact CG2-CG 4.38Å
618	I	96	Very high	95.1	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.5	-176.4	-39.3	172.7	0	0	0	109	L577 T607 N609 V610 D612 Y616	L577-I618 HydrophobicContact CD1-CB 3.97Å; L577-I618 HydrophobicContact CD1-CG2 3.5Å; T607-I618 HydrophobicContact CG2-CB 4.27Å; T607-I618 HydrophobicContact CG2-CG1 3.95Å; T607-I618 HydrophobicContact CG2-CG2 4.19Å; T607-I618 CarbonylContact O-C 3.53Å; T607-I618 VanDerWaalsContact O-CA 3.31Å; T607-I618 WeakPolarHBondContact O-CA 3.4Å; N609-I618 WeakPolarHBondContact O-CD1 3.44Å; N609-I618 WeakPolarHBondContact O-CG2 3.5Å; V610-I618 HydrophobicContact CG1-CG2 4.46Å; D612-I618 HydrophobicContact CB-CD1 4.28Å; D612-I618 HydrophobicContact CB-CG1 4.37Å; Y616-I618 PolarHBondContact O-N 3.24Å
619	L	97.1	Very high	95.2	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.226	C	C	.	.			trans	-130.7	148	-177.9	-56.9	177.8	0	0	0	110.7	I520 I550 L606 T607 I617 Y625 F680 A682	I520-L619 WeakPolarHBondContact CD1-O 3.47Å; I520-L619 HydrophobicContact CG2-CD1 4.44Å; I550-L619 HydrophobicContact CB-CD2 4.35Å; I550-L619 HydrophobicContact CG2-CD1 4.48Å; I550-L619 HydrophobicContact CG2-CD2 3.91Å; L606-L619 HydrophobicContact CB-CD1 4.33Å; L606-L619 HydrophobicContact CD1-CD1 3.98Å; L606-L619 HydrophobicContact CD2-CD1 4.06Å; L606-L619 HydrophobicContact CG-CD1 4.35Å; T607-L619 PolarHBondContact O-N 2.93Å; I617-L619 HydrophobicContact CG2-CD2 4.02Å; I617-L619 HydrophobicContact CG2-CG 4.38Å; L619-Y625 HydrophobicContact CB-CD2 4.48Å; L619-Y625 HydrophobicContact CB-CE2 3.82Å; L619-Y625 HydrophobicContact CD1-CD2 4.17Å; L619-Y625 HydrophobicContact CD1-CE2 4.34Å; L619-Y625 HydrophobicContact CD1-CG 4.5Å; L619-Y625 HydrophobicContact CD2-CD1 3.84Å; L619-Y625 HydrophobicContact CD2-CD2 4.27Å; L619-Y625 HydrophobicContact CD2-CE1 3.68Å; L619-Y625 HydrophobicContact CD2-CE2 4.08Å; L619-Y625 HydrophobicContact CD2-CG 4.15Å; L619-Y625 HydrophobicContact CG-CE2 4.3Å; L619-F680 HydrophobicContact CD1-CE2 3.9Å; L619-F680 HydrophobicContact CD1-CZ 3.75Å; L619-A682 HydrophobicContact CB-CB 4.24Å; L619-A682 HydrophobicContact CD1-CB 4.2Å
620	N	97	Very high	95.2	Very high	24 Å²	24	44.7 Å²	44.7	13%	0.128	22%	0.217	C	C	.	.			trans	-79.2	136.9	170.2	-69.7	-27.6	0	0	0	109.4	D574 P575 L577 H623 Y625	D574-N620 HydrophobicContact CB-CB 4.42Å; D574-N620 PolarHBondContact O-ND2 2.98Å; P575-N620 PolarHBondContact O-ND2 3.05Å; L577-N620 WeakPolarHBondContact CD1-OD1 3.19Å; L577-N620 WeakPolarHBondContact CG-OD1 3.49Å; N620-H623 WeakPolarHBondContact CB-ND1 3.28Å; N620-Y625 PolarHBondContact N-OH 3.17Å
621	S	97.6	Very high	95.3	Very high	26 Å²	26	40.5 Å²	40.5	18%	0.182	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	150.5	176	-164.8	0	0	0	0	110.9	H623 A682 T684	S621-H623 VanDerWaalsContact C-N 3.29Å; S621-H623 PolarHBondContact O-CE1 3.07Å; S621-H623 PolarHBondContact O-N 2.99Å; S621-H623 PolarHBondContact O-ND1 2.91Å; S621-A682 CarbonylContact C-O 3.5Å; S621-T684 PolarHBondContact OG-N 3.5Å
622	M	98	Very high	95.4	Very high	29 Å²	29	34.1 Å²	34.1	14%	0.143	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	28	-178.4	-38.9	-54.7	-82.8	0	0	114.5	R557 Y558 W567 A682 V683 Q687	R557-M622 HydrophobicContact CG-CB 4.45Å; Y558-M622 PolarHBondContact N-O 3.06Å; Y558-M622 WeakPolarHBondContact O-CB 3.46Å; W567-M622 HydrophobicContact CH2-CE 3.84Å; W567-M622 HydrophobicContact CZ3-CE 3.73Å; M622-A682 WeakPolarHBondContact CA-O 3.18Å; M622-A682 PolarHBondContact N-O 2.83Å; M622-V683 HydrophobicContact SD-CB 4.5Å; M622-V683 HydrophobicContact SD-CG1 4.04Å; M622-Q687 HydrophobicContact CE-CG 4.21Å
623	H	98	Very high	95.3	Very high	7 Å²	7	35 Å²	35	3%	0.032	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.8	175.6	-67.4	76.2	0	0	0	111	K556 A573 D574 N620 S621 Y625 I681 A682	K556-H623 PolarHBondContact O-CD2 3.39Å; A573-H623 VanDerWaalsContact CA-NE2 3.28Å; A573-H623 WeakPolarHBondContact CA-NE2 3.45Å; D574-H623 PolarHBondContact N-NE2 3.48Å; D574-H623 IonicContact OD2-CE1 2.71Å; D574-H623 PolarHBondContact OD2-CE1 3.09Å; D574-H623 VanDerWaalsContact OD2-CE1 3.31Å; N620-H623 WeakPolarHBondContact CB-ND1 3.28Å; S621-H623 VanDerWaalsContact C-N 3.29Å; S621-H623 PolarHBondContact O-CE1 3.07Å; S621-H623 PolarHBondContact O-N 2.99Å; S621-H623 PolarHBondContact O-ND1 2.91Å; H623-Y625 HydrophobicContact CB-CD2 4.41Å; H623-Y625 HydrophobicContact CB-CE2 3.6Å; H623-Y625 WeakPolarHBondContact O-CD2 3.22Å; H623-I681 WeakPolarHBondContact O-CA 3.12Å; H623-A682 PolarHBondContact O-N 3.47Å
624	K	98	Very high	95.1	Very high	52 Å²	52	24.4 Å²	24.4	23%	0.226	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.1	-176.9	-170.2	-171.6	-68.7	164.2	0	110.9	V553 D554 Y558 I679 F680 I681	V553-K624 HydrophobicContact CB-CB 4.26Å; V553-K624 HydrophobicContact CB-CD 3.88Å; V553-K624 HydrophobicContact CB-CG 3.92Å; V553-K624 HydrophobicContact CG1-CD 3.73Å; V553-K624 HydrophobicContact CG1-CG 4.34Å; V553-K624 HydrophobicContact CG2-CD 4.29Å; V553-K624 HydrophobicContact CG2-CG 4.05Å; V553-K624 PolarHBondContact N-O 3.28Å; D554-K624 IonicContact OD2-NZ 3.95Å; Y558-K624 HydrophobicContact CD2-CB 4.49Å; Y558-K624 HydrophobicContact CE2-CB 3.97Å; Y558-K624 WeakPolarHBondContact OH-CE 3.34Å; Y558-K624 PolarHBondContact OH-NZ 2.8Å; K624-I679 HydrophobicContact CD-CG2 3.92Å; K624-I679 HydrophobicContact CG-CG2 3.74Å; K624-F680 CarbonylContact C-O 3.57Å; K624-F680 WeakPolarHBondContact CA-O 3.48Å; K624-I681 HydrophobicContact CB-CG1 4.13Å; K624-I681 HydrophobicContact CG-CG1 4.21Å
625	Y	98.3	Very high	94.1	Very high	17 Å²	17	21 Å²	21	7%	0.067	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.3	-169.2	-71.7	-72.4	0	0	0	112.9	I550 I551 P552 L619 N620 H623 I679 F680 A682	I550-Y625 HydrophobicContact CG2-CD1 3.92Å; I550-Y625 HydrophobicContact CG2-CG 3.97Å; I551-Y625 CarbonylContact O-C 3.53Å; I551-Y625 WeakPolarHBondContact O-CA 3.43Å; I551-Y625 WeakPolarHBondContact O-CD1 3.31Å; P552-Y625 HydrophobicContact CB-CD1 4.45Å; P552-Y625 HydrophobicContact CB-CE1 4.22Å; L619-Y625 HydrophobicContact CB-CD2 4.48Å; L619-Y625 HydrophobicContact CB-CE2 3.82Å; L619-Y625 HydrophobicContact CD1-CD2 4.17Å; L619-Y625 HydrophobicContact CD1-CE2 4.34Å; L619-Y625 HydrophobicContact CD1-CG 4.5Å; L619-Y625 HydrophobicContact CD2-CD1 3.84Å; L619-Y625 HydrophobicContact CD2-CD2 4.27Å; L619-Y625 HydrophobicContact CD2-CE1 3.68Å; L619-Y625 HydrophobicContact CD2-CE2 4.08Å; L619-Y625 HydrophobicContact CD2-CG 4.15Å; L619-Y625 HydrophobicContact CG-CE2 4.3Å; N620-Y625 PolarHBondContact N-OH 3.17Å; H623-Y625 HydrophobicContact CB-CD2 4.41Å; H623-Y625 HydrophobicContact CB-CE2 3.6Å; H623-Y625 WeakPolarHBondContact O-CD2 3.22Å; Y625-I679 WeakPolarHBondContact O-CA 3.19Å; Y625-F680 HydrophobicContact CD2-CE2 4.27Å; Y625-F680 PolarHBondContact N-O 3.44Å; Y625-F680 PolarHBondContact O-N 2.68Å; Y625-A682 HydrophobicContact CD2-CB 3.8Å; Y625-A682 HydrophobicContact CE2-CB 3.77Å
626	Q	97.8	Very high	92.6	Very high	18 Å²	18	22.7 Å²	22.7	8%	0.084	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.6	175.6	171.7	68.5	82.1	0	0	109.1	I551 V553 R628 T674 F675 T678 I679	I551-Q626 HydrophobicContact CG1-CB 4.16Å; I551-Q626 WeakPolarHBondContact CG1-O 3.4Å; I551-Q626 PolarHBondContact N-O 3.28Å; I551-Q626 PolarHBondContact O-N 3.19Å; V553-Q626 HydrophobicContact CG2-CB 3.7Å; Q626-R628 HydrophobicContact CG-CG 4.48Å; Q626-T674 HydrophobicContact CG-CG2 3.55Å; Q626-F675 PolarHBondContact NE2-O 3.08Å; Q626-T678 PolarHBondContact NE2-OG1 2.91Å; Q626-I679 HydrophobicContact CB-CG1 4.3Å
627	P	97.9	Very high	90.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.6	165.3	-23.5	34.9	0	0	0	112.2	I531 M548 D549 T678 F680	I531-P627 HydrophobicContact CD1-CB 3.33Å; I531-P627 HydrophobicContact CD1-CG 3.62Å; M548-P627 HydrophobicContact CE-CB 4.15Å; D549-P627 WeakPolarHBondContact O-CA 3.22Å; P627-T678 VanDerWaalsContact CD-O 3.26Å; P627-T678 WeakPolarHBondContact CD-O 3.26Å; P627-F680 HydrophobicContact CG-CD1 4.14Å; P627-F680 HydrophobicContact CG-CE1 3.86Å
628	R	97.2	Very high	88.1	Confident	53 Å²	53	36.1 Å²	36.1	20%	0.2	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.5	170.4	-49.5	-172.2	-64	178.2	2.9	110.1	M548 D549 I551 Q626 T672	M548-R628 CarbonylContact C-O 3.59Å; M548-R628 VanDerWaalsContact CA-O 3.23Å; M548-R628 WeakPolarHBondContact CA-O 3.46Å; M548-R628 WeakPolarHBondContact CG-O 3.37Å; D549-R628 PolarHBondContact N-O 3.45Å; D549-R628 PolarHBondContact O-N 3.34Å; D549-R628 WeakPolarHBondContact OD1-CB 3.32Å; D549-R628 IonicContact OD1-CZ 2.9Å; D549-R628 IonicContact OD1-NE 3.14Å; D549-R628 PolarHBondContact OD1-NE 2.96Å; D549-R628 IonicContact OD1-NH2 2.66Å; D549-R628 IonicContact OD2-CZ 3.63Å; D549-R628 IonicContact OD2-NE 2.84Å; D549-R628 PolarHBondContact OD2-NE 3.19Å; D549-R628 IonicContact OD2-NH2 3.59Å; D549-R628 PolarHBondContact OD2-NH2 3.12Å; I551-R628 HydrophobicContact CD1-CG 4.47Å; I551-R628 HydrophobicContact CG1-CG 4.35Å; Q626-R628 HydrophobicContact CG-CG 4.48Å; R628-T672 HydrophobicContact CB-CG2 3.96Å
629	V	96.9	Very high	85.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125	175.7	178.2	0	0	0	0	108.4	I531 F535 V546 M548 F601 F673	I531-V629 HydrophobicContact CG2-CG2 4.05Å; F535-V629 HydrophobicContact CZ-CG1 4.02Å; V546-V629 HydrophobicContact CG1-CG1 4.34Å; M548-V629 HydrophobicContact CG-CG2 4.24Å; F601-V629 HydrophobicContact CE2-CG1 4.14Å; F601-V629 HydrophobicContact CE2-CG2 3.95Å; F601-V629 HydrophobicContact CZ-CG1 4.21Å; V629-F673 PolarHBondContact N-O 2.91Å; V629-F673 PolarHBondContact O-N 3.32Å
630	H	94.9	Very high	83.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.2	-178.7	-49.2	-101.2	0	0	0	110.3	V546 L547 D549 L662 I670 K671 T672	V546-H630 WeakPolarHBondContact CA-O 3.18Å; L547-H630 HydrophobicContact CD1-CB 3.72Å; L547-H630 VanDerWaalsContact CD1-CD2 3.49Å; L547-H630 WeakPolarHBondContact CD1-CD2 3.23Å; L547-H630 HydrophobicContact CG-CB 4.01Å; L547-H630 PolarHBondContact N-O 3.3Å; L547-H630 PolarHBondContact O-N 3.47Å; D549-H630 VanDerWaalsContact CG-NE2 3.28Å; D549-H630 IonicContact OD1-NE2 2.72Å; D549-H630 PolarHBondContact OD1-NE2 2.78Å; D549-H630 IonicContact OD2-CE1 3.65Å; D549-H630 IonicContact OD2-NE2 2.71Å; D549-H630 PolarHBondContact OD2-NE2 3.15Å; H630-L662 HydrophobicContact CB-CD2 4.44Å; H630-I670 HydrophobicContact CB-CD1 4.38Å; H630-K671 WeakPolarHBondContact CA-O 3.48Å; H630-T672 VanDerWaalsContact CE1-CG2 3.48Å; H630-T672 WeakPolarHBondContact CE1-CG2 3.43Å; H630-T672 PolarHBondContact CE1-OG1 3.15Å; H630-T672 PolarHBondContact ND1-OG1 2.95Å
631	L	94.5	Very high	80.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.6	174.1	179.5	75.6	0	0	0	107.8	I498 F535 L538 Y544 L545 V546 L594 K671 F673	I498-L631 HydrophobicContact CD1-CD2 3.78Å; I498-L631 HydrophobicContact CG2-CD2 3.95Å; F535-L631 HydrophobicContact CD1-CD2 4.31Å; F535-L631 HydrophobicContact CE1-CB 4.32Å; F535-L631 HydrophobicContact CE1-CD1 4.4Å; F535-L631 HydrophobicContact CE1-CD2 4.47Å; L538-L631 HydrophobicContact CD2-CD2 3.64Å; Y544-L631 HydrophobicContact CD1-CD1 3.83Å; Y544-L631 HydrophobicContact CD1-CD2 4.13Å; Y544-L631 HydrophobicContact CD1-CG 3.87Å; Y544-L631 HydrophobicContact CE1-CD2 4.33Å; Y544-L631 HydrophobicContact CG-CD1 3.98Å; L545-L631 WeakPolarHBondContact O-CA 3.5Å; V546-L631 HydrophobicContact CG2-CD1 3.67Å; L594-L631 HydrophobicContact CD1-CD1 3.66Å; L631-K671 PolarHBondContact N-O 3.32Å; L631-K671 PolarHBondContact O-N 2.98Å; L631-F673 HydrophobicContact CB-CE2 4.02Å; L631-F673 HydrophobicContact CD2-CE2 4.42Å
632	I	91.8	Very high	78.4	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	-179.4	-57.9	165.7	0	0	0	108.5	Y544 L545 L547 L652 L662 L665 N669 I670	Y544-I632 CarbonylContact C-O 3.59Å; Y544-I632 VanDerWaalsContact CA-O 3.24Å; Y544-I632 WeakPolarHBondContact CA-O 3.48Å; L545-I632 HydrophobicContact CB-CB 4.34Å; L545-I632 PolarHBondContact N-O 2.89Å; L545-I632 PolarHBondContact O-N 2.88Å; L547-I632 HydrophobicContact CD2-CD1 3.73Å; I632-L652 HydrophobicContact CD1-CD1 3.69Å; I632-L662 HydrophobicContact CD1-CD2 4.33Å; I632-L665 HydrophobicContact CD1-CD1 3.69Å; I632-L665 HydrophobicContact CG1-CD1 4.43Å; I632-N669 CarbonylContact C-O 3.54Å; I632-N669 VanDerWaalsContact CA-O 3.3Å; I632-N669 WeakPolarHBondContact CA-O 3.15Å; I632-I670 HydrophobicContact CD1-CD1 4.25Å; I632-I670 HydrophobicContact CG1-CB 4.13Å; I632-I670 HydrophobicContact CG1-CD1 3.97Å; I632-I670 HydrophobicContact CG1-CG1 3.87Å
633	Q	90.7	Very high	76.3	Confident	24 Å²	24	61.1 Å²	61.1	11%	0.112	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.9	174.6	-172.4	161.4	-13.1	0	0	109.9	L495 E539 A542 Y544 N669	L495-Q633 HydrophobicContact CD2-CB 4.05Å; E539-Q633 PolarHBondContact OE2-NE2 3.12Å; A542-Q633 HydrophobicContact CB-CG 4.34Å; A542-Q633 VanDerWaalsContact CB-NE2 3.34Å; Y544-Q633 HydrophobicContact CD1-CB 3.85Å; Y544-Q633 HydrophobicContact CD1-CG 4.19Å; Y544-Q633 HydrophobicContact CE1-CB 3.63Å; Y544-Q633 HydrophobicContact CE1-CG 3.73Å; Y544-Q633 PolarHBondContact OH-OE1 3.42Å; Q633-N669 PolarHBondContact N-O 3.46Å
634	L	85.1	Confident	74.3	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.068	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.4	172.4	-59.6	177.1	0	0	0	108.7	K543 L545 P588 T636 M649	K543-L634 HydrophobicContact CB-CB 4.19Å; K543-L634 HydrophobicContact CB-CD1 4.22Å; K543-L634 PolarHBondContact O-N 3.35Å; L545-L634 HydrophobicContact CD1-CD2 4.01Å; L545-L634 HydrophobicContact CD2-CD1 4.34Å; L545-L634 HydrophobicContact CG-CD1 4.11Å; L545-L634 HydrophobicContact CG-CD2 4.14Å; L545-L634 HydrophobicContact CG-CG 4.26Å; P588-L634 HydrophobicContact CB-CD1 4Å; L634-T636 PolarHBondContact O-N 3.45Å; L634-M649 HydrophobicContact CD1-CE 3.86Å
635	A	69	Low	72.4	Confident	50 Å²	50	65.7 Å²	65.7	41%	0.413	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-72.2	116	-173.5	0	0	0	0	0	111.5	N637 N645	A635-N637 PolarHBondContact O-N 3.36Å; A635-N645 PolarHBondContact N-OD1 2.98Å; A635-N645 PolarHBondContact O-ND2 3.02Å
636	T	58.1	Low	70.4	Confident	70 Å²	70	70 Å²	70	43%	0.429	36%	0.36	S	S	.	.			trans	-79.6	11.2	-173.6	-23.5	0	0	0	0	115	L634 Y638	L634-T636 PolarHBondContact O-N 3.45Å; T636-Y638 PolarHBondContact O-N 2.88Å; T636-Y638 VanDerWaalsContact O-N 3.08Å
637	N	48.6	Very low	68.6	Low	120 Å²	120	76.1 Å²	76.1	64%	0.642	39%	0.386	S	S	*	.			trans	-74.1	100.1	-174.4	-83.2	-3.5	0	0	0	112.4	A635 N639 D640	A635-N637 PolarHBondContact O-N 3.36Å; N637-N639 PolarHBondContact O-N 2.83Å; N637-D640 PolarHBondContact O-N 2.85Å
638	Y	46.9	Very low	66.9	Low	226 Å²	226	77.4 Å²	77.4	89%	0.886	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-8.7	177.7	-110.7	-85.8	0	0	0	116	T636	T636-Y638 PolarHBondContact O-N 2.88Å; T636-Y638 VanDerWaalsContact O-N 3.08Å
639	N	47.2	Very low	65.1	Low	156 Å²	156	77 Å²	77	83%	0.834	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.1	-174.4	-68.3	-4.2	0	0	0	114	N637	N637-N639 PolarHBondContact O-N 2.83Å
640	D	45.5	Very low	63.2	Low	96 Å²	96	80.5 Å²	80.5	51%	0.513	41%	0.413	S	S	.	.			trans	-99.1	117.7	175.3	-100.3	0.2	0	0	0	109.6	N637 N642	N637-D640 PolarHBondContact O-N 2.85Å; D640-N642 HydrophobicContact CB-CB 4.11Å; D640-N642 PolarHBondContact O-N 2.85Å; D640-N642 PolarHBondContact OD2-ND2 3.09Å
641	N	41.3	Very low	61.5	Low	163 Å²	163	81.4 Å²	81.4	87%	0.872	42%	0.419	S	S	*	.			trans	-72.8	34.1	170.4	-68.8	-27.2	0	0	0	112.2	N643	N641-N643 PolarHBondContact O-N 3.29Å
642	N	51.2	Low	59.9	Low	79 Å²	79	81.7 Å²	81.7	42%	0.422	42%	0.42	S	S	.	.			trans	-86.9	102.8	-168.5	-84.5	-37.4	0	0	0	111.7	D640 N644 N645	D640-N642 HydrophobicContact CB-CB 4.11Å; D640-N642 PolarHBondContact O-N 2.85Å; D640-N642 PolarHBondContact OD2-ND2 3.09Å; N642-N644 HydrophobicContact CB-CB 4.49Å; N642-N644 PolarHBondContact O-N 2.95Å; N642-N645 PolarHBondContact O-N 3.14Å
643	N	53.2	Low	58.2	Low	132 Å²	132	86 Å²	86	71%	0.706	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-18.2	169.2	-67.8	-33.4	0	0	0	113.9	N641 N645 Q646 F647	N641-N643 PolarHBondContact O-N 3.29Å; N643-N645 VanDerWaalsContact C-N 3.35Å; N643-N645 PolarHBondContact O-N 3.1Å; N643-Q646 CarbonylContact O-C 3.59Å; N643-Q646 WeakPolarHBondContact O-CB 3.4Å; N643-Q646 PolarHBondContact O-N 3.25Å; N643-Q646 VanDerWaalsContact O-N 3.07Å; N643-F647 WeakPolarHBondContact O-CB 3.49Å; N643-F647 PolarHBondContact O-N 3.3Å
644	N	56.2	Low	56.3	Low	99 Å²	99	88 Å²	88	53%	0.529	46%	0.457	S	S	.	.	H	α-helix	trans	-54.2	-40.5	-178.5	-57.6	-17.6	0	0	0	114.1	N642 F647 I648	N642-N644 HydrophobicContact CB-CB 4.49Å; N642-N644 PolarHBondContact O-N 2.95Å; N644-F647 PolarHBondContact O-N 3.22Å; N644-I648 WeakPolarHBondContact O-CB 3.3Å; N644-I648 VanDerWaalsContact O-CG1 3.28Å; N644-I648 WeakPolarHBondContact O-CG1 3.45Å; N644-I648 PolarHBondContact O-N 3.15Å
645	N	57.7	Low	54.5	Low	57 Å²	57	92.5 Å²	92.5	31%	0.305	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-41.9	176	-88.1	-26.7	0	0	0	111.5	A635 N642 N643 F647 M649	A635-N645 PolarHBondContact N-OD1 2.98Å; A635-N645 PolarHBondContact O-ND2 3.02Å; N642-N645 PolarHBondContact O-N 3.14Å; N643-N645 VanDerWaalsContact C-N 3.35Å; N643-N645 PolarHBondContact O-N 3.1Å; N645-F647 VanDerWaalsContact C-N 3.35Å; N645-M649 WeakPolarHBondContact O-CB 3.5Å; N645-M649 PolarHBondContact O-N 3.44Å
646	Q	56.1	Low	53.3	Low	108 Å²	108	94.7 Å²	94.7	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-68	-36.7	175.9	-165.9	69.1	50.1	0	0	110.8	N643 M649 N650	N643-Q646 CarbonylContact O-C 3.59Å; N643-Q646 WeakPolarHBondContact O-CB 3.4Å; N643-Q646 PolarHBondContact O-N 3.25Å; N643-Q646 VanDerWaalsContact O-N 3.07Å; Q646-M649 PolarHBondContact O-N 2.88Å; Q646-N650 PolarHBondContact NE2-OD1 3.4Å; Q646-N650 WeakPolarHBondContact O-CB 3.41Å; Q646-N650 PolarHBondContact O-N 2.77Å; Q646-N650 PolarHBondContact O-OD1 3.21Å
647	F	60.6	Low	52.6	Low	145 Å²	145	94.6 Å²	94.6	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-65.7	-45.7	175.2	-180	-95.8	0	0	0	111.7	N643 N644 N645 S651	N643-F647 WeakPolarHBondContact O-CB 3.49Å; N643-F647 PolarHBondContact O-N 3.3Å; N644-F647 PolarHBondContact O-N 3.22Å; N645-F647 VanDerWaalsContact C-N 3.35Å; F647-S651 WeakPolarHBondContact O-CA 3.33Å; F647-S651 WeakPolarHBondContact O-CB 3.42Å; F647-S651 PolarHBondContact O-N 2.78Å
648	I	61.9	Low	52.6	Low	29 Å²	29	91.1 Å²	91.1	15%	0.149	48%	0.481	C	S	.	.	H	α-helix	trans	-62.4	-45.8	174.4	-69.9	166.4	0	0	0	110.3	N644 L652 L665	N644-I648 WeakPolarHBondContact O-CB 3.3Å; N644-I648 VanDerWaalsContact O-CG1 3.28Å; N644-I648 WeakPolarHBondContact O-CG1 3.45Å; N644-I648 PolarHBondContact O-N 3.15Å; I648-L652 HydrophobicContact CG2-CD1 3.77Å; I648-L652 HydrophobicContact CG2-CG 4.49Å; I648-L652 WeakPolarHBondContact O-CB 3.09Å; I648-L652 VanDerWaalsContact O-CG 3.22Å; I648-L652 WeakPolarHBondContact O-CG 3.42Å; I648-L652 PolarHBondContact O-N 2.81Å; I648-L665 HydrophobicContact CD1-CD2 4.23Å; I648-L665 HydrophobicContact CG1-CD2 3.9Å; I648-L665 HydrophobicContact CG2-CD2 3.94Å
649	M	60.8	Low	52.6	Low	46 Å²	46	82 Å²	82	23%	0.227	45%	0.45	C	S	.	.	H	α-helix	trans	-63.7	-49.8	178.8	-173	-179	-62.3	0	0	111.8	P588 L634 N645 Q646 L652 L653	P588-M649 HydrophobicContact CG-CE 4.45Å; L634-M649 HydrophobicContact CD1-CE 3.86Å; N645-M649 WeakPolarHBondContact O-CB 3.5Å; N645-M649 PolarHBondContact O-N 3.44Å; Q646-M649 PolarHBondContact O-N 2.88Å; M649-L652 PolarHBondContact O-N 3.36Å; M649-L653 HydrophobicContact CG-CD1 3.65Å; M649-L653 HydrophobicContact CG-CG 4.32Å; M649-L653 VanDerWaalsContact O-CB 3.32Å; M649-L653 WeakPolarHBondContact O-CB 3.41Å; M649-L653 VanDerWaalsContact O-CG 3.25Å; M649-L653 WeakPolarHBondContact O-CG 3.4Å; M649-L653 PolarHBondContact O-N 3.07Å; M649-L653 HydrophobicContact SD-CD1 4.34Å
650	N	55.7	Low	52.8	Low	74 Å²	74	81.6 Å²	81.6	40%	0.396	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-52.7	176.9	-70.7	10	0	0	0	109.7	Q646 L652 L653 T654	Q646-N650 PolarHBondContact NE2-OD1 3.4Å; Q646-N650 WeakPolarHBondContact O-CB 3.41Å; Q646-N650 PolarHBondContact O-N 2.77Å; Q646-N650 PolarHBondContact O-OD1 3.21Å; N650-L652 PolarHBondContact O-N 2.59Å; N650-L652 VanDerWaalsContact O-N 3.13Å; N650-L653 PolarHBondContact O-N 3.04Å; N650-T654 WeakPolarHBondContact O-CB 3.19Å; N650-T654 WeakPolarHBondContact O-CG2 3.49Å; N650-T654 PolarHBondContact O-N 2.97Å; N650-T654 PolarHBondContact O-OG1 3.24Å
651	S	59.1	Low	53.2	Low	20 Å²	20	78.9 Å²	78.9	14%	0.14	43%	0.429	C	S	.	.	H	α-helix	trans	-59.1	-27.6	-179.4	-175.3	0	0	0	0	113.7	F647 L658 P659	F647-S651 WeakPolarHBondContact O-CA 3.33Å; F647-S651 WeakPolarHBondContact O-CB 3.42Å; F647-S651 PolarHBondContact O-N 2.78Å; S651-L658 WeakPolarHBondContact O-CD1 3.48Å; S651-L658 VanDerWaalsContact O-CG 3.25Å; S651-L658 WeakPolarHBondContact O-CG 3.2Å; S651-P659 WeakPolarHBondContact OG-CD 3.25Å
652	L	61.6	Low	54.3	Low	5 Å²	5	72.1 Å²	72.1	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-88.2	-19.3	173.5	-68.4	173	0	0	0	114.3	L545 L547 H581 I632 I648 M649 N650 L658 L665	L545-L652 HydrophobicContact CD1-CD1 3.68Å; L547-L652 HydrophobicContact CD2-CD2 4.32Å; H581-L652 PolarHBondContact NE2-O 3.14Å; I632-L652 HydrophobicContact CD1-CD1 3.69Å; I648-L652 HydrophobicContact CG2-CD1 3.77Å; I648-L652 HydrophobicContact CG2-CG 4.49Å; I648-L652 WeakPolarHBondContact O-CB 3.09Å; I648-L652 VanDerWaalsContact O-CG 3.22Å; I648-L652 WeakPolarHBondContact O-CG 3.42Å; I648-L652 PolarHBondContact O-N 2.81Å; M649-L652 PolarHBondContact O-N 3.36Å; N650-L652 PolarHBondContact O-N 2.59Å; N650-L652 VanDerWaalsContact O-N 3.13Å; L652-L658 HydrophobicContact CD2-CD2 3.83Å; L652-L658 HydrophobicContact CD2-CG 4.38Å; L652-L665 HydrophobicContact CD1-CD1 4.48Å
653	L	55.2	Low	54.6	Low	93 Å²	93	73.9 Å²	73.9	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-102.9	-30.3	-178.4	-68.2	-179	0	0	0	113.7	V583 M649 N650 S655	V583-L653 HydrophobicContact CB-CD2 4.36Å; V583-L653 HydrophobicContact CG1-CD2 4.07Å; V583-L653 HydrophobicContact CG2-CD2 4.29Å; M649-L653 HydrophobicContact CG-CD1 3.65Å; M649-L653 HydrophobicContact CG-CG 4.32Å; M649-L653 VanDerWaalsContact O-CB 3.32Å; M649-L653 WeakPolarHBondContact O-CB 3.41Å; M649-L653 VanDerWaalsContact O-CG 3.25Å; M649-L653 WeakPolarHBondContact O-CG 3.4Å; M649-L653 PolarHBondContact O-N 3.07Å; M649-L653 HydrophobicContact SD-CD1 4.34Å; N650-L653 PolarHBondContact O-N 3.04Å; L653-S655 PolarHBondContact O-N 3.3Å
654	T	51.3	Low	54.7	Low	68 Å²	68	73.2 Å²	73.2	42%	0.417	40%	0.397	S	S	.	.			trans	-72.2	98.6	173.2	56.9	0	0	0	0	109.3	N650 T656	N650-T654 WeakPolarHBondContact O-CB 3.19Å; N650-T654 WeakPolarHBondContact O-CG2 3.49Å; N650-T654 PolarHBondContact O-N 2.97Å; N650-T654 PolarHBondContact O-OG1 3.24Å; T654-T656 PolarHBondContact O-N 2.8Å
655	S	46.5	Very low	54.9	Low	106 Å²	106	69.5 Å²	69.5	74%	0.741	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	13.4	-170.4	50.6	0	0	0	0	115.6	L653	L653-S655 PolarHBondContact O-N 3.3Å
656	T	44.9	Very low	55.2	Low	97 Å²	97	70.3 Å²	70.3	60%	0.595	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-33.8	-179.7	45.1	0	0	0	0	113.8	T654	T654-T656 PolarHBondContact O-N 2.8Å
657	S	43	Very low	55.6	Low	67 Å²	67	71 Å²	71	47%	0.469	39%	0.393	S	S	.	.			trans	-152.5	81.2	-176.1	61.7	0	0	0	0	113.7
658	L	49.6	Very low	56.1	Low	48 Å²	48	70.3 Å²	70.3	25%	0.251	40%	0.396	S	S	.	.			trans	-75	159.9	165.2	-105.1	79.2	0	0	0	112.1	H581 S651 L652 K660	H581-L658 HydrophobicContact CB-CD2 4.34Å; H581-L658 WeakPolarHBondContact CE1-CD1 3.42Å; H581-L658 VanDerWaalsContact CE1-CD2 3.47Å; H581-L658 WeakPolarHBondContact CE1-CD2 3.25Å; H581-L658 VanDerWaalsContact CG-CD2 3.48Å; H581-L658 WeakPolarHBondContact ND1-CD2 3.31Å; H581-L658 WeakPolarHBondContact NE2-CD1 3.26Å; H581-L658 WeakPolarHBondContact NE2-CD2 3.32Å; S651-L658 WeakPolarHBondContact O-CD1 3.48Å; S651-L658 VanDerWaalsContact O-CG 3.25Å; S651-L658 WeakPolarHBondContact O-CG 3.2Å; L652-L658 HydrophobicContact CD2-CD2 3.83Å; L652-L658 HydrophobicContact CD2-CG 4.38Å; L658-K660 PolarHBondContact O-N 3.21Å
659	P	46.4	Very low	57.1	Low	34 Å²	34	71.6 Å²	71.6	22%	0.221	40%	0.403	C	S	.	.			trans	-57.2	129.2	157.7	-13	29.3	0	0	0	108.3	S651 S661 I664	S651-P659 WeakPolarHBondContact OG-CD 3.25Å; P659-S661 PolarHBondContact O-N 3.22Å; P659-I664 HydrophobicContact CB-CB 3.85Å; P659-I664 HydrophobicContact CB-CD1 3.64Å; P659-I664 HydrophobicContact CB-CG1 4.3Å; P659-I664 HydrophobicContact CB-CG2 4.01Å; P659-I664 HydrophobicContact CG-CG2 4.36Å
660	K	50.4	Low	58.4	Low	147 Å²	147	70.5 Å²	70.5	64%	0.639	40%	0.398	S	S	*	.	S	Bend	trans	-59.8	-18.9	-169.7	-73.2	178.6	177	172.8	0	114.5	L658	L658-K660 PolarHBondContact O-N 3.21Å
661	S	54.3	Low	60.2	Low	39 Å²	39	69 Å²	69	27%	0.273	39%	0.388	S	S	.	.	S	Bend	trans	-139.4	157.6	165.3	60.6	0	0	0	0	109.6	P659 D663	P659-S661 PolarHBondContact O-N 3.22Å; S661-D663 WeakPolarHBondContact CB-OD2 3.34Å; S661-D663 PolarHBondContact O-N 3.26Å; S661-D663 PolarHBondContact OG-OD2 3.47Å
662	L	64.5	Low	61.9	Low	21 Å²	21	70.8 Å²	70.8	11%	0.11	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-70.7	-10.6	178.5	-70.9	94.2	0	0	0	112.9	L547 H630 I632 I664 L665 I670	L547-L662 HydrophobicContact CD1-CD2 3.83Å; L547-L662 HydrophobicContact CD2-CD2 4.21Å; H630-L662 HydrophobicContact CB-CD2 4.44Å; I632-L662 HydrophobicContact CD1-CD2 4.33Å; L662-I664 PolarHBondContact O-N 2.98Å; L662-L665 WeakPolarHBondContact O-CB 3.4Å; L662-L665 PolarHBondContact O-N 3.22Å; L662-I670 HydrophobicContact CB-CD1 3.88Å; L662-I670 HydrophobicContact CD2-CD1 3.59Å; L662-I670 HydrophobicContact CG-CD1 4.38Å
663	D	57.7	Low	63.5	Low	116 Å²	116	71.7 Å²	71.7	62%	0.62	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-62.2	-6.6	178.8	-24.3	-36.6	0	0	0	114	S661	S661-D663 WeakPolarHBondContact CB-OD2 3.34Å; S661-D663 PolarHBondContact O-N 3.26Å; S661-D663 PolarHBondContact OG-OD2 3.47Å
664	I	55.6	Low	65.5	Low	119 Å²	119	70.6 Å²	70.6	61%	0.61	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-85.3	-15.7	173	-70.5	165.3	0	0	0	111.7	P659 L662	P659-I664 HydrophobicContact CB-CB 3.85Å; P659-I664 HydrophobicContact CB-CD1 3.64Å; P659-I664 HydrophobicContact CB-CG1 4.3Å; P659-I664 HydrophobicContact CB-CG2 4.01Å; P659-I664 HydrophobicContact CG-CG2 4.36Å; L662-I664 PolarHBondContact O-N 2.98Å
665	L	61	Low	67.8	Low	20 Å²	20	68.6 Å²	68.6	11%	0.105	38%	0.384	C	S	.	.	S	Bend	trans	-78.9	143.8	169.1	-63.6	172.2	0	0	0	110.1	I632 I648 L652 L662 N667 I670	I632-L665 HydrophobicContact CD1-CD1 3.69Å; I632-L665 HydrophobicContact CG1-CD1 4.43Å; I648-L665 HydrophobicContact CD1-CD2 4.23Å; I648-L665 HydrophobicContact CG1-CD2 3.9Å; I648-L665 HydrophobicContact CG2-CD2 3.94Å; L652-L665 HydrophobicContact CD1-CD1 4.48Å; L662-L665 WeakPolarHBondContact O-CB 3.4Å; L662-L665 PolarHBondContact O-N 3.22Å; L665-N667 PolarHBondContact O-N 3.19Å; L665-I670 HydrophobicContact CD1-CD1 4.32Å
666	P	62.5	Low	70.2	Confident	75 Å²	75	67.5 Å²	67.5	49%	0.487	38%	0.375	S	S	.	.			trans	-57	122.2	171.2	-24.2	34.2	0	0	0	111	D668 N669	P666-D668 PolarHBondContact O-N 3.03Å; P666-D668 VanDerWaalsContact O-N 3.11Å; P666-N669 PolarHBondContact O-N 2.94Å
667	N	64.9	Low	72.7	Confident	121 Å²	121	64 Å²	64	65%	0.647	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-52.6	-36.4	-176.5	-73.3	-28.4	0	0	0	112.6	L665 N669 I670	L665-N667 PolarHBondContact O-N 3.19Å; N667-N669 PolarHBondContact O-N 2.9Å; N667-I670 PolarHBondContact O-N 2.99Å; N667-I670 VanDerWaalsContact O-O 3.06Å
668	D	71.6	Confident	75.4	Confident	131 Å²	131	60.9 Å²	60.9	70%	0.701	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-50.6	-26.4	175.7	-56	28.5	0	0	0	114	L495 P666	L495-D668 WeakPolarHBondContact CD1-O 3.28Å; P666-D668 PolarHBondContact O-N 3.03Å; P666-D668 VanDerWaalsContact O-N 3.11Å
669	N	82.9	Confident	77.7	Confident	57 Å²	57	60.6 Å²	60.6	31%	0.305	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-102.5	-6.9	-178.2	-71.4	-24.5	0	0	0	114.3	I632 Q633 P666 N667	I632-N669 CarbonylContact C-O 3.54Å; I632-N669 VanDerWaalsContact CA-O 3.3Å; I632-N669 WeakPolarHBondContact CA-O 3.15Å; Q633-N669 PolarHBondContact N-O 3.46Å; P666-N669 PolarHBondContact O-N 2.94Å; N667-N669 PolarHBondContact O-N 2.9Å
670	I	88.7	Confident	80.2	Confident	22 Å²	22	59.1 Å²	59.1	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.4	-175.4	-179.4	168.7	0	0	0	112.6	H630 I632 L662 L665 N667	H630-I670 HydrophobicContact CB-CD1 4.38Å; I632-I670 HydrophobicContact CD1-CD1 4.25Å; I632-I670 HydrophobicContact CG1-CB 4.13Å; I632-I670 HydrophobicContact CG1-CD1 3.97Å; I632-I670 HydrophobicContact CG1-CG1 3.87Å; L662-I670 HydrophobicContact CB-CD1 3.88Å; L662-I670 HydrophobicContact CD2-CD1 3.59Å; L662-I670 HydrophobicContact CG-CD1 4.38Å; L665-I670 HydrophobicContact CD1-CD1 4.32Å; N667-I670 PolarHBondContact O-N 2.99Å; N667-I670 VanDerWaalsContact O-O 3.06Å
671	K	92.4	Very high	82.5	Confident	42 Å²	42	52.6 Å²	52.6	18%	0.183	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	169	-168.2	163	-171.7	-178.5	0	111.8	L495 A496 I498 H630 L631 F673	L495-K671 HydrophobicContact CB-CB 4.41Å; L495-K671 HydrophobicContact CB-CD 4.39Å; L495-K671 HydrophobicContact CD1-CB 4.5Å; L495-K671 WeakPolarHBondContact O-CD 3.49Å; L495-K671 WeakPolarHBondContact O-CE 3.3Å; L495-K671 PolarHBondContact O-NZ 3Å; A496-K671 VanDerWaalsContact C-NZ 3.27Å; A496-K671 PolarHBondContact O-NZ 2.93Å; I498-K671 HydrophobicContact CB-CD 4.43Å; I498-K671 PolarHBondContact O-NZ 3.1Å; H630-K671 WeakPolarHBondContact CA-O 3.48Å; L631-K671 PolarHBondContact N-O 3.32Å; L631-K671 PolarHBondContact O-N 2.98Å; K671-F673 HydrophobicContact CB-CE2 4.24Å; K671-F673 HydrophobicContact CB-CZ 4.36Å; K671-F673 HydrophobicContact CD-CE1 3.93Å; K671-F673 HydrophobicContact CD-CE2 4.27Å; K671-F673 HydrophobicContact CD-CZ 3.57Å; K671-F673 HydrophobicContact CG-CE1 4.12Å; K671-F673 HydrophobicContact CG-CE2 3.95Å; K671-F673 HydrophobicContact CG-CZ 3.72Å
672	T	94.3	Very high	84.6	Confident	59 Å²	59	50.7 Å²	50.7	36%	0.362	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134	177	-56.5	0	0	0	0	110	R628 H630	R628-T672 HydrophobicContact CB-CG2 3.96Å; H630-T672 VanDerWaalsContact CE1-CG2 3.48Å; H630-T672 WeakPolarHBondContact CE1-CG2 3.43Å; H630-T672 PolarHBondContact CE1-OG1 3.15Å; H630-T672 PolarHBondContact ND1-OG1 2.95Å
673	F	96.6	Very high	86.2	Confident	24 Å²	24	49.7 Å²	49.7	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	176.3	-57.3	-84.2	0	0	0	109.3	I498 C500 F535 V629 L631 K671 F675	I498-F673 HydrophobicContact CB-CZ 4.49Å; I498-F673 HydrophobicContact CG2-CZ 4.02Å; C500-F673 HydrophobicContact CB-CB 4.16Å; C500-F673 HydrophobicContact CB-CD1 3.4Å; C500-F673 VanDerWaalsContact CB-CD1 3.4Å; C500-F673 HydrophobicContact CB-CD2 3.79Å; C500-F673 HydrophobicContact CB-CE1 3.54Å; C500-F673 HydrophobicContact CB-CE2 3.92Å; C500-F673 HydrophobicContact CB-CG 3.51Å; C500-F673 HydrophobicContact CB-CZ 3.79Å; F535-F673 HydrophobicContact CD1-CE2 4.27Å; F535-F673 HydrophobicContact CE1-CD2 4.16Å; F535-F673 AromaticContact CE1-CE2 3.84Å; F535-F673 HydrophobicContact CE1-CE2 3.84Å; V629-F673 PolarHBondContact N-O 2.91Å; V629-F673 PolarHBondContact O-N 3.32Å; L631-F673 HydrophobicContact CB-CE2 4.02Å; L631-F673 HydrophobicContact CD2-CE2 4.42Å; K671-F673 HydrophobicContact CB-CE2 4.24Å; K671-F673 HydrophobicContact CB-CZ 4.36Å; K671-F673 HydrophobicContact CD-CE1 3.93Å; K671-F673 HydrophobicContact CD-CE2 4.27Å; K671-F673 HydrophobicContact CD-CZ 3.57Å; K671-F673 HydrophobicContact CG-CE1 4.12Å; K671-F673 HydrophobicContact CG-CE2 3.95Å; K671-F673 HydrophobicContact CG-CZ 3.72Å; F673-F675 HydrophobicContact CB-CE2 4.26Å; F673-F675 HydrophobicContact CB-CZ 4.36Å
674	T	97.1	Very high	88.2	Confident	69 Å²	69	46.2 Å²	46.2	42%	0.423	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.9	-176.7	-53.8	0	0	0	0	109	Q626	Q626-T674 HydrophobicContact CG-CG2 3.55Å
675	F	97.9	Very high	90.2	Very high	26 Å²	26	40.9 Å²	40.9	11%	0.114	23%	0.229	C	C	.	.			trans	-121.1	103.1	-178	-62.2	-73	0	0	0	108.9	C500 L502 Q626 F673 E677 T678	C500-F675 HydrophobicContact CB-CZ 4.39Å; L502-F675 HydrophobicContact CB-CD1 3.78Å; L502-F675 HydrophobicContact CB-CD2 4.37Å; L502-F675 HydrophobicContact CB-CE1 3.83Å; L502-F675 HydrophobicContact CB-CE2 4.4Å; L502-F675 HydrophobicContact CB-CG 4.07Å; L502-F675 HydrophobicContact CB-CZ 4.15Å; L502-F675 HydrophobicContact CD2-CB 4.16Å; L502-F675 HydrophobicContact CD2-CD1 4.47Å; L502-F675 HydrophobicContact CD2-CG 4.26Å; Q626-F675 PolarHBondContact NE2-O 3.08Å; F673-F675 HydrophobicContact CB-CE2 4.26Å; F673-F675 HydrophobicContact CB-CZ 4.36Å; F675-E677 WeakPolarHBondContact CA-OE2 3.4Å; F675-E677 WeakPolarHBondContact CB-OE2 3.33Å; F675-E677 PolarHBondContact O-N 3.12Å; F675-T678 HydrophobicContact CB-CG2 3.75Å; F675-T678 WeakPolarHBondContact O-CB 3.35Å; F675-T678 PolarHBondContact O-N 3.15Å; F675-T678 PolarHBondContact O-OG1 2.67Å
676	P	97.9	Very high	92	Very high	84 Å²	84	43.1 Å²	43.1	55%	0.545	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-57.3	-30.6	-177.1	-26.6	35.8	0	0	0	114	T678 I679	P676-T678 PolarHBondContact O-N 3.45Å; P676-I679 WeakPolarHBondContact O-CB 3.28Å; P676-I679 WeakPolarHBondContact O-CD1 3.26Å; P676-I679 VanDerWaalsContact O-CG1 3.27Å; P676-I679 WeakPolarHBondContact O-CG1 3.35Å; P676-I679 PolarHBondContact O-N 3.16Å
677	E	98	Very high	93.7	Very high	23 Å²	23	41 Å²	41	11%	0.107	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-67	-9.1	174.7	68.7	-88.6	-136.5	0	0	114	L502 K505 W508 E509 F675	L502-E677 HydrophobicContact CD2-CG 3.59Å; L502-E677 WeakPolarHBondContact CD2-OE1 3.35Å; K505-E677 WeakPolarHBondContact CD-OE1 3.48Å; K505-E677 WeakPolarHBondContact CE-OE1 3.43Å; K505-E677 HydrophobicContact CG-CG 4.35Å; K505-E677 WeakPolarHBondContact CG-OE1 3.32Å; W508-E677 HydrophobicContact CB-CB 4.43Å; W508-E677 HydrophobicContact CB-CG 4.04Å; E509-E677 HydrophobicContact CG-CB 4.22Å; F675-E677 WeakPolarHBondContact CA-OE2 3.4Å; F675-E677 WeakPolarHBondContact CB-OE2 3.33Å; F675-E677 PolarHBondContact O-N 3.12Å
678	T	98.6	Very high	95.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-97.5	2.8	175.5	68.3	0	0	0	0	113.9	L502 W508 Q626 P627 F675 P676	L502-T678 HydrophobicContact CD1-CG2 4.15Å; L502-T678 HydrophobicContact CD2-CG2 3.65Å; W508-T678 HydrophobicContact CD2-CG2 3.82Å; W508-T678 HydrophobicContact CE3-CG2 3.92Å; W508-T678 HydrophobicContact CG-CG2 4.23Å; W508-T678 HydrophobicContact CH2-CG2 4.46Å; W508-T678 HydrophobicContact CZ2-CG2 4.4Å; W508-T678 HydrophobicContact CZ3-CG2 4.23Å; Q626-T678 PolarHBondContact NE2-OG1 2.91Å; P627-T678 VanDerWaalsContact CD-O 3.26Å; P627-T678 WeakPolarHBondContact CD-O 3.26Å; F675-T678 HydrophobicContact CB-CG2 3.75Å; F675-T678 WeakPolarHBondContact O-CB 3.35Å; F675-T678 PolarHBondContact O-N 3.15Å; F675-T678 PolarHBondContact O-OG1 2.67Å; P676-T678 PolarHBondContact O-N 3.45Å
679	I	98.5	Very high	96.3	Very high	42 Å²	42	37.1 Å²	37.1	22%	0.215	19%	0.194	C	C	.	.			trans	-59.4	137.8	172.9	-69.3	171.3	0	0	0	109.9	T516 V553 K624 Y625 Q626 P676	T516-I679 VanDerWaalsContact CB-O 3.27Å; T516-I679 WeakPolarHBondContact CB-O 3.21Å; T516-I679 PolarHBondContact OG1-O 3.49Å; V553-I679 HydrophobicContact CG2-CD1 4.45Å; V553-I679 HydrophobicContact CG2-CG1 4.34Å; V553-I679 HydrophobicContact CG2-CG2 4.26Å; K624-I679 HydrophobicContact CD-CG2 3.92Å; K624-I679 HydrophobicContact CG-CG2 3.74Å; Y625-I679 WeakPolarHBondContact O-CA 3.19Å; Q626-I679 HydrophobicContact CB-CG1 4.3Å; P676-I679 WeakPolarHBondContact O-CB 3.28Å; P676-I679 WeakPolarHBondContact O-CD1 3.26Å; P676-I679 VanDerWaalsContact O-CG1 3.27Å; P676-I679 WeakPolarHBondContact O-CG1 3.35Å; P676-I679 PolarHBondContact O-N 3.16Å
680	F	98.7	Very high	97	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.5	177.4	70.1	-93.4	0	0	0	113	T516 M518 I550 L606 L619 K624 Y625 P627 A682	T516-F680 HydrophobicContact CG2-CB 3.71Å; T516-F680 CarbonylContact O-C 3.52Å; T516-F680 WeakPolarHBondContact O-CA 3.42Å; T516-F680 WeakPolarHBondContact O-CB 3.48Å; M518-F680 HydrophobicContact CB-CD2 3.5Å; M518-F680 VanDerWaalsContact CB-CD2 3.5Å; M518-F680 HydrophobicContact CB-CE2 3.69Å; M518-F680 HydrophobicContact CB-CG 4.13Å; M518-F680 HydrophobicContact CB-CZ 4.45Å; M518-F680 HydrophobicContact CG-CB 3.9Å; M518-F680 HydrophobicContact CG-CD1 3.99Å; M518-F680 HydrophobicContact CG-CD2 3.42Å; M518-F680 VanDerWaalsContact CG-CD2 3.42Å; M518-F680 HydrophobicContact CG-CE1 4.36Å; M518-F680 HydrophobicContact CG-CE2 3.85Å; M518-F680 HydrophobicContact CG-CG 3.5Å; M518-F680 VanDerWaalsContact CG-CG 3.5Å; M518-F680 HydrophobicContact CG-CZ 4.3Å; I550-F680 HydrophobicContact CD1-CE1 4.36Å; I550-F680 HydrophobicContact CD1-CZ 4.22Å; I550-F680 HydrophobicContact CG2-CE1 4.3Å; I550-F680 HydrophobicContact CG2-CZ 4.15Å; L606-F680 HydrophobicContact CD1-CE2 4.07Å; L606-F680 HydrophobicContact CD1-CZ 3.85Å; L619-F680 HydrophobicContact CD1-CE2 3.9Å; L619-F680 HydrophobicContact CD1-CZ 3.75Å; K624-F680 CarbonylContact C-O 3.57Å; K624-F680 WeakPolarHBondContact CA-O 3.48Å; Y625-F680 HydrophobicContact CD2-CE2 4.27Å; Y625-F680 PolarHBondContact N-O 3.44Å; Y625-F680 PolarHBondContact O-N 2.68Å; P627-F680 HydrophobicContact CG-CD1 4.14Å; P627-F680 HydrophobicContact CG-CE1 3.86Å; F680-A682 HydrophobicContact CE2-CB 4.05Å
681	I	98.6	Very high	97.4	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.051	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.9	165.9	-63	174.6	0	0	0	108.8	T516 E517 M518 Y558 W567 H623 K624 V683	T516-I681 PolarHBondContact O-N 3.41Å; E517-I681 WeakPolarHBondContact CA-O 3.38Å; M518-I681 PolarHBondContact N-O 2.91Å; Y558-I681 HydrophobicContact CG-CD1 4.42Å; W567-I681 HydrophobicContact CB-CD1 4.38Å; W567-I681 HydrophobicContact CD2-CD1 3.5Å; W567-I681 VanDerWaalsContact CD2-CD1 3.5Å; W567-I681 HydrophobicContact CE3-CD1 3.84Å; W567-I681 HydrophobicContact CG-CD1 3.77Å; W567-I681 HydrophobicContact CH2-CB 4.39Å; W567-I681 HydrophobicContact CH2-CD1 4.41Å; W567-I681 HydrophobicContact CH2-CG2 3.66Å; W567-I681 HydrophobicContact CZ2-CB 4.27Å; W567-I681 HydrophobicContact CZ2-CD1 4.17Å; W567-I681 HydrophobicContact CZ2-CG2 4.04Å; W567-I681 HydrophobicContact CZ3-CD1 4.27Å; W567-I681 HydrophobicContact CZ3-CG2 3.97Å; H623-I681 WeakPolarHBondContact O-CA 3.12Å; K624-I681 HydrophobicContact CB-CG1 4.13Å; K624-I681 HydrophobicContact CG-CG1 4.21Å; I681-V683 HydrophobicContact CG2-CG1 4.1Å
682	A	98.6	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.5	176.4	0	0	0	0	0	109.5	I520 L619 S621 M622 H623 Y625 F680	I520-A682 HydrophobicContact CD1-CB 4.25Å; I520-A682 HydrophobicContact CG2-CB 4.05Å; L619-A682 HydrophobicContact CB-CB 4.24Å; L619-A682 HydrophobicContact CD1-CB 4.2Å; S621-A682 CarbonylContact C-O 3.5Å; M622-A682 WeakPolarHBondContact CA-O 3.18Å; M622-A682 PolarHBondContact N-O 2.83Å; H623-A682 PolarHBondContact O-N 3.47Å; Y625-A682 HydrophobicContact CD2-CB 3.8Å; Y625-A682 HydrophobicContact CE2-CB 3.77Å; F680-A682 HydrophobicContact CE2-CB 4.05Å
683	V	98.7	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.7	-175.9	-63.2	0	0	0	0	111.2	E517 M518 I519 I520 W567 M622 I681 A685 Y686 Q687	E517-V683 HydrophobicContact CB-CG2 4.01Å; M518-V683 PolarHBondContact O-N 2.85Å; I519-V683 CarbonylContact C-O 3.54Å; I519-V683 WeakPolarHBondContact CA-O 3.08Å; I519-V683 HydrophobicContact CD1-CG2 4.13Å; I520-V683 PolarHBondContact N-O 3.12Å; W567-V683 HydrophobicContact CH2-CG1 3.82Å; W567-V683 HydrophobicContact CZ2-CG1 4.22Å; M622-V683 HydrophobicContact SD-CB 4.5Å; M622-V683 HydrophobicContact SD-CG1 4.04Å; I681-V683 HydrophobicContact CG2-CG1 4.1Å; V683-A685 VanDerWaalsContact C-N 3.33Å; V683-A685 WeakPolarHBondContact CB-O 3.36Å; V683-A685 WeakPolarHBondContact CG2-O 3.28Å; V683-Y686 HydrophobicContact CG2-CD1 4.4Å; V683-Q687 HydrophobicContact CG1-CG 4.3Å
684	T	98.3	Very high	97.8	Very high	43 Å²	43	41.6 Å²	41.6	26%	0.264	21%	0.213	S	C	.	.	S	Bend	trans	-76.7	-25.8	166.9	47.1	0	0	0	0	112.3	S621	S621-T684 PolarHBondContact OG-N 3.5Å
685	A	98	Very high	97.8	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	19%	0.194	C	C	.	.	S	Bend	trans	-146.1	140.7	-172.8	0	0	0	0	0	109.7	V683 Q687 A727	V683-A685 VanDerWaalsContact C-N 3.33Å; V683-A685 WeakPolarHBondContact CB-O 3.36Å; V683-A685 WeakPolarHBondContact CG2-O 3.28Å; A685-Q687 PolarHBondContact O-N 2.78Å; A685-Q687 PolarHBondContact O-NE2 2.81Å; A685-A727 VanDerWaalsContact CB-CA 3.47Å; A685-A727 HydrophobicContact CB-CB 3.76Å
686	Y	98.4	Very high	97.7	Very high	67 Å²	67	38.6 Å²	38.6	26%	0.263	20%	0.195	S	C	.	.			trans	-63.7	139.6	176.2	-64.8	-53.8	0	0	0	111.3	E517 I519 V683 I691 T692 K695	E517-Y686 HydrophobicContact CB-CD1 3.98Å; E517-Y686 HydrophobicContact CB-CE1 4.32Å; E517-Y686 WeakPolarHBondContact OE2-CA 3.38Å; I519-Y686 HydrophobicContact CD1-CD1 3.97Å; I519-Y686 HydrophobicContact CD1-CD2 4.23Å; I519-Y686 HydrophobicContact CD1-CE1 3.96Å; I519-Y686 HydrophobicContact CD1-CE2 4.23Å; I519-Y686 HydrophobicContact CD1-CG 4.09Å; I519-Y686 HydrophobicContact CG1-CD1 4.09Å; I519-Y686 HydrophobicContact CG1-CD2 4.44Å; I519-Y686 HydrophobicContact CG1-CE1 3.55Å; I519-Y686 HydrophobicContact CG1-CE2 3.94Å; I519-Y686 HydrophobicContact CG1-CG 4.49Å; I519-Y686 VanDerWaalsContact CG1-CZ 3.45Å; V683-Y686 HydrophobicContact CG2-CD1 4.4Å; Y686-I691 HydrophobicContact CD1-CG2 4.16Å; Y686-I691 HydrophobicContact CE1-CG2 4.35Å; Y686-T692 WeakPolarHBondContact CB-OG1 3.45Å; Y686-T692 HydrophobicContact CD2-CG2 4.2Å; Y686-K695 HydrophobicContact CE1-CD 4.28Å; Y686-K695 HydrophobicContact CE1-CG 4.1Å; Y686-K695 HydrophobicContact CE2-CB 4.45Å; Y686-K695 HydrophobicContact CE2-CG 4.06Å; Y686-K695 WeakPolarHBondContact OH-CD 3.49Å; Y686-K695 WeakPolarHBondContact OH-CE 3.5Å; Y686-K695 WeakPolarHBondContact OH-CG 3.36Å
687	Q	98.1	Very high	97.6	Very high	30 Å²	30	37.9 Å²	37.9	14%	0.14	19%	0.187	C	C	.	.			trans	-104.3	-48.9	-179.1	-50.8	-67	-81.5	0	0	110.5	E517 Y560 Y562 W567 M622 V683 A685	E517-Q687 PolarHBondContact OE1-N 2.73Å; E517-Q687 PolarHBondContact OE2-N 3.46Å; Y560-Q687 HydrophobicContact CD1-CB 3.83Å; Y560-Q687 HydrophobicContact CD2-CB 4.05Å; Y560-Q687 HydrophobicContact CE1-CB 4.48Å; Y560-Q687 WeakPolarHBondContact CE1-O 3.35Å; Y560-Q687 HydrophobicContact CG-CB 3.57Å; Y560-Q687 HydrophobicContact CG-CG 4.48Å; Y562-Q687 WeakPolarHBondContact CE1-O 3.36Å; Y562-Q687 PolarHBondContact OH-OE1 3.1Å; W567-Q687 HydrophobicContact CH2-CB 4.26Å; W567-Q687 HydrophobicContact CH2-CG 3.6Å; W567-Q687 HydrophobicContact CZ2-CB 4.02Å; W567-Q687 HydrophobicContact CZ2-CG 3.82Å; M622-Q687 HydrophobicContact CE-CG 4.21Å; V683-Q687 HydrophobicContact CG1-CG 4.3Å; A685-Q687 PolarHBondContact O-N 2.78Å; A685-Q687 PolarHBondContact O-NE2 2.81Å
688	N	97	Very high	97.5	Very high	12 Å²	12	39 Å²	39	6%	0.064	20%	0.197	C	C	.	.			trans	-80.1	120.7	174.7	-172.8	-7	0	0	0	111	L514 E517 Y560 L690 I691 T692	L514-N688 PolarHBondContact O-ND2 2.78Å; E517-N688 VanDerWaalsContact OE1-CB 3.28Å; E517-N688 WeakPolarHBondContact OE1-CB 3.48Å; E517-N688 PolarHBondContact OE1-N 3.26Å; Y560-N688 HydrophobicContact CE2-CB 4.05Å; N688-L690 VanDerWaalsContact C-N 3.28Å; N688-L690 PolarHBondContact O-N 3.15Å; N688-L690 WeakPolarHBondContact OD1-CB 3.47Å; N688-L690 PolarHBondContact OD1-N 2.87Å; N688-I691 HydrophobicContact CB-CB 4.09Å; N688-I691 HydrophobicContact CB-CG1 3.78Å; N688-I691 WeakPolarHBondContact O-CB 3.41Å; N688-I691 PolarHBondContact O-N 3.18Å; N688-T692 PolarHBondContact O-N 3.18Å; N688-T692 VanDerWaalsContact O-N 3.08Å; N688-T692 PolarHBondContact O-OG1 3.22Å
689	Q	95.8	Very high	97.4	Very high	159 Å²	159	40.3 Å²	40.3	74%	0.743	20%	0.204	S	C	*	.	H	α-helix	trans	-65.6	-30.7	176	-69.1	-177.5	-12.3	0	0	112.4	T692 K693	Q689-T692 WeakPolarHBondContact O-CB 3.17Å; Q689-T692 PolarHBondContact O-N 3.22Å; Q689-K693 PolarHBondContact O-N 2.76Å
690	L	97	Very high	97.2	Very high	102 Å²	102	42.8 Å²	42.8	53%	0.534	22%	0.223	S	C	.	.	H	α-helix	trans	-67.3	-39.9	176.2	-57.7	178	0	0	0	111.3	L514 N688 K693 L694	L514-L690 HydrophobicContact CD1-CB 4Å; L514-L690 HydrophobicContact CD2-CB 4.06Å; L514-L690 HydrophobicContact CD2-CD1 3.9Å; N688-L690 VanDerWaalsContact C-N 3.28Å; N688-L690 PolarHBondContact O-N 3.15Å; N688-L690 WeakPolarHBondContact OD1-CB 3.47Å; N688-L690 PolarHBondContact OD1-N 2.87Å; L690-K693 PolarHBondContact O-N 3.5Å; L690-L694 WeakPolarHBondContact O-CB 3.5Å; L690-L694 PolarHBondContact O-N 3.03Å
691	I	97.9	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-49.5	169.2	-66.7	-73.4	0	0	0	109.3	F511 L514 G515 E517 Y686 N688 K693 L694 K695	F511-I691 HydrophobicContact CD1-CD1 3.83Å; F511-I691 HydrophobicContact CD1-CG2 4.47Å; F511-I691 HydrophobicContact CE1-CD1 4.48Å; F511-I691 HydrophobicContact CE1-CG2 4.31Å; L514-I691 HydrophobicContact CB-CD1 3.5Å; L514-I691 VanDerWaalsContact CB-CD1 3.5Å; L514-I691 HydrophobicContact CB-CG1 4.04Å; L514-I691 HydrophobicContact CD1-CD1 4.48Å; G515-I691 WeakPolarHBondContact O-CD1 3.45Å; E517-I691 HydrophobicContact CB-CG2 4.06Å; E517-I691 HydrophobicContact CG-CG1 4.34Å; E517-I691 HydrophobicContact CG-CG2 4.25Å; Y686-I691 HydrophobicContact CD1-CG2 4.16Å; Y686-I691 HydrophobicContact CE1-CG2 4.35Å; N688-I691 HydrophobicContact CB-CB 4.09Å; N688-I691 HydrophobicContact CB-CG1 3.78Å; N688-I691 WeakPolarHBondContact O-CB 3.41Å; N688-I691 PolarHBondContact O-N 3.18Å; I691-K693 VanDerWaalsContact C-N 3.33Å; I691-K693 PolarHBondContact O-N 3.37Å; I691-L694 PolarHBondContact O-N 3.37Å; I691-L694 VanDerWaalsContact O-N 3.14Å; I691-K695 HydrophobicContact CG2-CG 4.12Å; I691-K695 VanDerWaalsContact O-CG 3.24Å; I691-K695 WeakPolarHBondContact O-CG 3.49Å; I691-K695 PolarHBondContact O-N 2.94Å
692	T	96.8	Very high	96.7	Very high	33 Å²	33	51 Å²	51	20%	0.202	26%	0.261	C	S	.	.	H	α-helix	trans	-55.7	-45.9	-180	-56.3	0	0	0	0	112.1	Y686 N688 Q689 K695 I696	Y686-T692 WeakPolarHBondContact CB-OG1 3.45Å; Y686-T692 HydrophobicContact CD2-CG2 4.2Å; N688-T692 PolarHBondContact O-N 3.18Å; N688-T692 VanDerWaalsContact O-N 3.08Å; N688-T692 PolarHBondContact O-OG1 3.22Å; Q689-T692 WeakPolarHBondContact O-CB 3.17Å; Q689-T692 PolarHBondContact O-N 3.22Å; T692-K695 PolarHBondContact O-N 3.03Å; T692-I696 HydrophobicContact CG2-CD1 4.17Å; T692-I696 WeakPolarHBondContact O-CG1 3.32Å; T692-I696 PolarHBondContact O-N 3.08Å
693	K	96	Very high	96.4	Very high	132 Å²	132	57 Å²	57	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-59.4	-51.1	174.2	-178.6	176.1	178.7	-175.4	0	111.6	Q689 L690 I691 K695 I696 D697	Q689-K693 PolarHBondContact O-N 2.76Å; L690-K693 PolarHBondContact O-N 3.5Å; I691-K693 VanDerWaalsContact C-N 3.33Å; I691-K693 PolarHBondContact O-N 3.37Å; K693-K695 VanDerWaalsContact C-N 3.27Å; K693-K695 PolarHBondContact O-N 3.45Å; K693-I696 WeakPolarHBondContact O-CA 3.27Å; K693-I696 WeakPolarHBondContact O-CB 3.04Å; K693-I696 PolarHBondContact O-N 3.03Å; K693-D697 VanDerWaalsContact CE-OD2 3.3Å; K693-D697 WeakPolarHBondContact CE-OD2 3.33Å; K693-D697 VanDerWaalsContact CG-OD2 3.3Å; K693-D697 WeakPolarHBondContact CG-OD2 3.27Å; K693-D697 PolarHBondContact O-N 2.77Å
694	L	97	Very high	96.1	Very high	30 Å²	30	60.4 Å²	60.4	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-32.6	179.2	-168.9	65.4	0	0	0	112.6	K510 F511 L514 L690 I691 C698	K510-L694 HydrophobicContact CB-CD2 4.12Å; K510-L694 WeakPolarHBondContact O-CD2 3.44Å; F511-L694 HydrophobicContact CD1-CD2 3.73Å; F511-L694 HydrophobicContact CD1-CG 4.35Å; F511-L694 HydrophobicContact CD2-CD2 3.93Å; F511-L694 HydrophobicContact CD2-CG 4.43Å; F511-L694 HydrophobicContact CE1-CB 3.87Å; F511-L694 HydrophobicContact CE1-CD2 3.7Å; F511-L694 HydrophobicContact CE1-CG 3.79Å; F511-L694 HydrophobicContact CE2-CD2 3.91Å; F511-L694 HydrophobicContact CE2-CG 3.91Å; F511-L694 HydrophobicContact CG-CD2 3.83Å; F511-L694 HydrophobicContact CZ-CB 3.95Å; F511-L694 HydrophobicContact CZ-CD2 3.79Å; F511-L694 HydrophobicContact CZ-CG 3.55Å; L514-L694 HydrophobicContact CD1-CD2 4.04Å; L690-L694 WeakPolarHBondContact O-CB 3.5Å; L690-L694 PolarHBondContact O-N 3.03Å; I691-L694 PolarHBondContact O-N 3.37Å; I691-L694 VanDerWaalsContact O-N 3.14Å; L694-C698 VanDerWaalsContact O-CB 3.29Å; L694-C698 WeakPolarHBondContact O-CB 3.26Å; L694-C698 PolarHBondContact O-N 3.1Å
695	K	97.7	Very high	95.7	Very high	5 Å²	5	62 Å²	62	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-42.9	170.6	-60.3	-73.5	-171.7	-151.9	0	111	F511 E517 F528 Y686 I691 T692 K693 N699	F511-K695 HydrophobicContact CE1-CD 3.53Å; F511-K695 HydrophobicContact CE1-CG 3.89Å; F511-K695 HydrophobicContact CZ-CD 3.69Å; F511-K695 HydrophobicContact CZ-CG 4.17Å; E517-K695 WeakPolarHBondContact O-CE 3.5Å; E517-K695 PolarHBondContact O-NZ 2.97Å; F528-K695 HydrophobicContact CD1-CD 3.89Å; F528-K695 PolarHBondContact O-NZ 3.16Å; Y686-K695 HydrophobicContact CE1-CD 4.28Å; Y686-K695 HydrophobicContact CE1-CG 4.1Å; Y686-K695 HydrophobicContact CE2-CB 4.45Å; Y686-K695 HydrophobicContact CE2-CG 4.06Å; Y686-K695 WeakPolarHBondContact OH-CD 3.49Å; Y686-K695 WeakPolarHBondContact OH-CE 3.5Å; Y686-K695 WeakPolarHBondContact OH-CG 3.36Å; I691-K695 HydrophobicContact CG2-CG 4.12Å; I691-K695 VanDerWaalsContact O-CG 3.24Å; I691-K695 WeakPolarHBondContact O-CG 3.49Å; I691-K695 PolarHBondContact O-N 2.94Å; T692-K695 PolarHBondContact O-N 3.03Å; K693-K695 VanDerWaalsContact C-N 3.27Å; K693-K695 PolarHBondContact O-N 3.45Å; K695-N699 WeakPolarHBondContact O-CB 3.18Å; K695-N699 PolarHBondContact O-N 2.83Å
696	I	96	Very high	95.3	Very high	27 Å²	27	66 Å²	66	14%	0.138	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-48.6	178.9	-71.5	166	0	0	0	111	T692 K693 A702 F705 R706	T692-I696 HydrophobicContact CG2-CD1 4.17Å; T692-I696 WeakPolarHBondContact O-CG1 3.32Å; T692-I696 PolarHBondContact O-N 3.08Å; K693-I696 WeakPolarHBondContact O-CA 3.27Å; K693-I696 WeakPolarHBondContact O-CB 3.04Å; K693-I696 PolarHBondContact O-N 3.03Å; I696-A702 HydrophobicContact CG1-CB 4.48Å; I696-F705 HydrophobicContact CD1-CB 3.87Å; I696-F705 HydrophobicContact CG1-CB 3.95Å; I696-F705 HydrophobicContact CG2-CB 3.83Å; I696-R706 HydrophobicContact CG2-CB 4.37Å; I696-R706 HydrophobicContact CG2-CG 3.6Å; I696-R706 PolarHBondContact O-NE 3.22Å; I696-R706 PolarHBondContact O-NH2 3.23Å; I696-R706 VanDerWaalsContact O-NH2 3.17Å
697	D	96	Very high	94.1	Very high	69 Å²	69	66.9 Å²	66.9	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-36.8	-175.2	-65.5	-16.8	0	0	0	112.5	K693 R706	K693-D697 VanDerWaalsContact CE-OD2 3.3Å; K693-D697 WeakPolarHBondContact CE-OD2 3.33Å; K693-D697 VanDerWaalsContact CG-OD2 3.3Å; K693-D697 WeakPolarHBondContact CG-OD2 3.27Å; K693-D697 PolarHBondContact O-N 2.77Å; D697-R706 PolarHBondContact O-NH1 3.43Å; D697-R706 VanDerWaalsContact O-NH1 3.12Å; D697-R706 PolarHBondContact O-NH2 2.96Å
698	C	96	Very high	92.4	Very high	47 Å²	47	66.8 Å²	66.8	32%	0.318	35%	0.351	S	S	.	.	H	α-helix	trans	-95.5	-27.7	-177.8	-61.4	0	0	0	0	114.5	L507 F528 L694 P700	L507-C698 HydrophobicContact CD1-CB 3.95Å; F528-C698 HydrophobicContact CE1-CB 3.9Å; F528-C698 VanDerWaalsContact CZ-C 3.46Å; F528-C698 HydrophobicContact CZ-CB 3.81Å; F528-C698 WeakPolarHBondContact CZ-O 3.48Å; L694-C698 VanDerWaalsContact O-CB 3.29Å; L694-C698 WeakPolarHBondContact O-CB 3.26Å; L694-C698 PolarHBondContact O-N 3.1Å; C698-P700 WeakPolarHBondContact O-CD 2.94Å
699	N	96	Very high	90.5	Very high	29 Å²	29	71.2 Å²	71.2	16%	0.155	38%	0.383	C	S	.	.			trans	-85.9	121.2	-176.5	-169.8	-17.2	0	0	0	111.8	F528 K695 F701 A702 R706	F528-N699 HydrophobicContact CD1-CB 3.95Å; F528-N699 HydrophobicContact CD2-CB 3.93Å; F528-N699 HydrophobicContact CE1-CB 3.8Å; F528-N699 HydrophobicContact CE2-CB 3.77Å; F528-N699 HydrophobicContact CG-CB 4.03Å; F528-N699 HydrophobicContact CZ-CB 3.72Å; K695-N699 WeakPolarHBondContact O-CB 3.18Å; K695-N699 PolarHBondContact O-N 2.83Å; N699-F701 VanDerWaalsContact C-N 3.25Å; N699-F701 PolarHBondContact O-N 3.43Å; N699-F701 WeakPolarHBondContact OD1-CB 2.9Å; N699-F701 WeakPolarHBondContact OD1-CD2 2.99Å; N699-F701 PolarHBondContact OD1-N 2.83Å; N699-A702 HydrophobicContact CB-CB 4.04Å; N699-A702 PolarHBondContact O-N 2.29Å; N699-R706 PolarHBondContact O-NH2 3.36Å
700	P	95.4	Very high	88.5	Confident	94 Å²	94	71.9 Å²	71.9	61%	0.61	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-58.8	-35.1	176	-24.7	35.2	0	0	0	113.3	C698 A702 K703	C698-P700 WeakPolarHBondContact O-CD 2.94Å; P700-A702 PolarHBondContact O-N 3.11Å; P700-K703 WeakPolarHBondContact O-CB 3.29Å; P700-K703 PolarHBondContact O-N 3.31Å
701	F	93.9	Very high	86.6	Confident	171 Å²	171	69.8 Å²	69.8	75%	0.75	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-71.7	-8.4	178.4	-59.3	-73.3	0	0	0	113.6	N699	N699-F701 VanDerWaalsContact C-N 3.25Å; N699-F701 PolarHBondContact O-N 3.43Å; N699-F701 WeakPolarHBondContact OD1-CB 2.9Å; N699-F701 WeakPolarHBondContact OD1-CD2 2.99Å; N699-F701 PolarHBondContact OD1-N 2.83Å
702	A	93.2	Very high	84.8	Confident	14 Å²	14	73.8 Å²	73.8	12%	0.116	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-107.2	6.6	175.3	0	0	0	0	0	113.2	I696 N699 P700 G704 F705	I696-A702 HydrophobicContact CG1-CB 4.48Å; N699-A702 HydrophobicContact CB-CB 4.04Å; N699-A702 PolarHBondContact O-N 2.29Å; P700-A702 PolarHBondContact O-N 3.11Å; A702-G704 PolarHBondContact O-N 2.78Å; A702-G704 VanDerWaalsContact O-N 3.07Å; A702-F705 HydrophobicContact CB-CD2 4.34Å; A702-F705 PolarHBondContact O-N 2.86Å
703	K	91	Very high	83.1	Confident	127 Å²	127	80 Å²	80	55%	0.552	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-52.3	-35.8	-175.7	180	171.1	178.6	173.8	0	113.7	P700 F705 R706	P700-K703 WeakPolarHBondContact O-CB 3.29Å; P700-K703 PolarHBondContact O-N 3.31Å; K703-F705 PolarHBondContact O-N 3.47Å; K703-R706 WeakPolarHBondContact O-CB 3.27Å; K703-R706 PolarHBondContact O-N 3.38Å
704	G	91.9	Very high	81.4	Confident	71 Å²	71	81.1 Å²	81.1	73%	0.732	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-63.3	-6.5	179.5	0	0	0	0	0	116.1	A702	A702-G704 PolarHBondContact O-N 2.78Å; A702-G704 VanDerWaalsContact O-N 3.07Å
705	F	90.1	Very high	79.8	Confident	75 Å²	75	83.8 Å²	83.8	33%	0.329	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-104.3	-3.5	174.7	-56.6	-68.8	0	0	0	113.6	I696 A702 K703 S708 M719	I696-F705 HydrophobicContact CD1-CB 3.87Å; I696-F705 HydrophobicContact CG1-CB 3.95Å; I696-F705 HydrophobicContact CG2-CB 3.83Å; A702-F705 HydrophobicContact CB-CD2 4.34Å; A702-F705 PolarHBondContact O-N 2.86Å; K703-F705 PolarHBondContact O-N 3.47Å; F705-S708 PolarHBondContact O-OG 2.89Å; F705-M719 HydrophobicContact CB-CE 4.47Å; F705-M719 HydrophobicContact CD1-CE 3.68Å; F705-M719 HydrophobicContact CD1-SD 4.02Å; F705-M719 HydrophobicContact CE1-CE 4.49Å
706	R	90	Very high	78.2	Confident	91 Å²	91	89.5 Å²	89.5	34%	0.343	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-71.2	-41.2	-179.5	-65.4	177.5	-164.9	-166.9	1.9	111.9	I696 D697 N699 K703 S708	I696-R706 HydrophobicContact CG2-CB 4.37Å; I696-R706 HydrophobicContact CG2-CG 3.6Å; I696-R706 PolarHBondContact O-NE 3.22Å; I696-R706 PolarHBondContact O-NH2 3.23Å; I696-R706 VanDerWaalsContact O-NH2 3.17Å; D697-R706 PolarHBondContact O-NH1 3.43Å; D697-R706 VanDerWaalsContact O-NH1 3.12Å; D697-R706 PolarHBondContact O-NH2 2.96Å; N699-R706 PolarHBondContact O-NH2 3.36Å; K703-R706 WeakPolarHBondContact O-CB 3.27Å; K703-R706 PolarHBondContact O-N 3.38Å; R706-S708 PolarHBondContact O-N 3.47Å
707	D	74.2	Confident	76.6	Confident	87 Å²	87	94.3 Å²	94.3	47%	0.465	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-79.8	17.5	-174.4	-53.1	-47.3	0	0	0	113.2	S709 R710	D707-S709 PolarHBondContact O-N 3.38Å; D707-R710 WeakPolarHBondContact O-CB 3.31Å; D707-R710 PolarHBondContact O-N 3.2Å
708	S	62.3	Low	75.5	Confident	28 Å²	28	93.5 Å²	93.5	20%	0.196	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-64.4	-9	-178.5	-54.2	0	0	0	0	114.1	F705 R706 M719	F705-S708 PolarHBondContact O-OG 2.89Å; R706-S708 PolarHBondContact O-N 3.47Å; S708-M719 WeakPolarHBondContact OG-CE 3.33Å
709	S	56.5	Low	74	Confident	104 Å²	104	92.8 Å²	92.8	73%	0.727	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-76.4	-18.2	168.1	52.4	0	0	0	0	113.9	D707	D707-S709 PolarHBondContact O-N 3.38Å
710	R	53.9	Low	72.8	Confident	174 Å²	174	96.5 Å²	96.5	66%	0.657	49%	0.487	S	S	*	.	S	Bend	trans	-96.1	-1.9	177.1	-67.7	-178.5	170.9	163.3	-0.9	113.2	E48 D707	E48-R710 IonicContact OE1-NH2 3.9Å; E48-R710 PolarHBondContact OE1-NH2 3.02Å; E48-R710 IonicContact OE2-NH2 2.68Å; D707-R710 WeakPolarHBondContact O-CB 3.31Å; D707-R710 PolarHBondContact O-N 3.2Å
711	L	56.6	Low	71.7	Confident	58 Å²	58	95.1 Å²	95.1	30%	0.304	48%	0.477	S	S	.	.	S	Bend	trans	-82.3	143.8	177	-67.1	-179.4	0	0	0	111.4	E715 M719	L711-E715 HydrophobicContact CB-CB 3.92Å; L711-E715 HydrophobicContact CD1-CB 4.44Å; L711-E715 HydrophobicContact CD2-CB 4.2Å; L711-E715 HydrophobicContact CG-CB 4.41Å; L711-M719 HydrophobicContact CD1-CG 4.28Å; L711-M719 HydrophobicContact CD1-SD 3.52Å; L711-M719 VanDerWaalsContact CD1-SD 3.52Å
712	T	60.8	Low	70.7	Confident	83 Å²	83	91.7 Å²	91.7	51%	0.509	47%	0.466	S	S	.	.			trans	-65.8	159.3	172.2	61.2	0	0	0	0	111.3	F714 E715 R716	T712-F714 PolarHBondContact O-N 2.88Å; T712-E715 WeakPolarHBondContact CB-OE2 3.41Å; T712-E715 WeakPolarHBondContact CG2-OE2 3.22Å; T712-E715 PolarHBondContact N-OE2 2.81Å; T712-E715 WeakPolarHBondContact O-CB 3.37Å; T712-E715 PolarHBondContact O-N 2.96Å; T712-E715 WeakPolarHBondContact OG1-CG 3.37Å; T712-E715 PolarHBondContact OG1-OE2 2.84Å; T712-R716 PolarHBondContact O-N 3.44Å
713	E	60.9	Low	69.7	Low	165 Å²	165	94 Å²	94	77%	0.771	48%	0.476	S	S	*	.	H	α-helix	trans	-56.1	-35.7	-177.4	-165.7	164.6	-148.5	0	0	112.9	R716 E717	E713-R716 WeakPolarHBondContact O-CB 3.43Å; E713-R716 PolarHBondContact O-N 2.77Å; E713-E717 PolarHBondContact O-N 2.93Å
714	F	61.1	Low	68.6	Low	155 Å²	155	90.4 Å²	90.4	68%	0.68	47%	0.47	S	S	*	.	H	α-helix	trans	-68.8	-39.5	174.4	-177.7	-98.7	0	0	0	113.7	T712 R716 S718	T712-F714 PolarHBondContact O-N 2.88Å; F714-R716 VanDerWaalsContact C-N 3.31Å; F714-S718 WeakPolarHBondContact O-CB 3.27Å; F714-S718 PolarHBondContact O-N 2.89Å; F714-S718 VanDerWaalsContact O-N 3.12Å; F714-S718 PolarHBondContact O-OG 3.26Å
715	E	62.2	Low	67.2	Low	86 Å²	86	92.7 Å²	92.7	40%	0.402	46%	0.462	S	S	.	.	H	α-helix	trans	-69.7	-32.5	173.5	-70.5	168.8	119	0	0	111.3	L711 T712 S718 M719	L711-E715 HydrophobicContact CB-CB 3.92Å; L711-E715 HydrophobicContact CD1-CB 4.44Å; L711-E715 HydrophobicContact CD2-CB 4.2Å; L711-E715 HydrophobicContact CG-CB 4.41Å; T712-E715 WeakPolarHBondContact CB-OE2 3.41Å; T712-E715 WeakPolarHBondContact CG2-OE2 3.22Å; T712-E715 PolarHBondContact N-OE2 2.81Å; T712-E715 WeakPolarHBondContact O-CB 3.37Å; T712-E715 PolarHBondContact O-N 2.96Å; T712-E715 WeakPolarHBondContact OG1-CG 3.37Å; T712-E715 PolarHBondContact OG1-OE2 2.84Å; E715-S718 WeakPolarHBondContact O-CB 3.5Å; E715-S718 PolarHBondContact O-N 3.47Å; E715-M719 WeakPolarHBondContact O-CB 3.39Å; E715-M719 PolarHBondContact O-N 3.32Å
716	R	64.1	Low	65.6	Low	124 Å²	124	94.9 Å²	94.9	47%	0.468	47%	0.473	S	S	.	.	H	α-helix	trans	-64.4	-51.5	174.7	-165.8	-161.1	-164	96.3	-3.3	111.6	T712 E713 F714 S718 M719 E720	T712-R716 PolarHBondContact O-N 3.44Å; E713-R716 WeakPolarHBondContact O-CB 3.43Å; E713-R716 PolarHBondContact O-N 2.77Å; F714-R716 VanDerWaalsContact C-N 3.31Å; R716-S718 VanDerWaalsContact C-N 3.26Å; R716-S718 PolarHBondContact O-N 3.07Å; R716-M719 CarbonylContact O-C 3.58Å; R716-M719 WeakPolarHBondContact O-CA 3.36Å; R716-M719 WeakPolarHBondContact O-CB 3.47Å; R716-M719 PolarHBondContact O-N 3.48Å; R716-E720 WeakPolarHBondContact CD-OE1 3.36Å; R716-E720 WeakPolarHBondContact CG-OE1 3.33Å; R716-E720 IonicContact NE-OE1 3.85Å; R716-E720 PolarHBondContact NE-OE1 3.1Å; R716-E720 WeakPolarHBondContact O-CG 3.44Å; R716-E720 PolarHBondContact O-N 3.39Å
717	E	63.5	Low	64	Low	128 Å²	128	92.7 Å²	92.7	60%	0.598	47%	0.474	S	S	*	.	H	α-helix	trans	-58.8	-39.9	175.8	-175	177.7	-148.9	0	0	111.3	E713 M719 T721	E713-E717 PolarHBondContact O-N 2.93Å; E717-M719 VanDerWaalsContact C-N 3.34Å; E717-M719 PolarHBondContact O-N 3.29Å; E717-T721 VanDerWaalsContact O-CB 3.24Å; E717-T721 WeakPolarHBondContact O-CB 3.48Å; E717-T721 PolarHBondContact O-N 2.89Å; E717-T721 PolarHBondContact O-OG1 2.87Å
718	S	72.4	Confident	63.1	Low	53 Å²	53	93.2 Å²	93.2	37%	0.371	48%	0.48	S	S	.	.	H	α-helix	trans	-61.7	-38.8	172.5	-61.4	0	0	0	0	112.5	F714 E715 R716 L722	F714-S718 WeakPolarHBondContact O-CB 3.27Å; F714-S718 PolarHBondContact O-N 2.89Å; F714-S718 VanDerWaalsContact O-N 3.12Å; F714-S718 PolarHBondContact O-OG 3.26Å; E715-S718 WeakPolarHBondContact O-CB 3.5Å; E715-S718 PolarHBondContact O-N 3.47Å; R716-S718 VanDerWaalsContact C-N 3.26Å; R716-S718 PolarHBondContact O-N 3.07Å; S718-L722 VanDerWaalsContact O-CG 3.32Å; S718-L722 WeakPolarHBondContact O-CG 3.46Å; S718-L722 PolarHBondContact O-N 2.65Å
719	M	63.7	Low	62.3	Low	31 Å²	31	94.3 Å²	94.3	15%	0.153	50%	0.496	C	S	.	.	H	α-helix	trans	-73.7	-42.8	178.1	-114.8	-161.7	55.9	0	0	113.1	F705 S708 L711 E715 R716 E717 T721 L722 L723	F705-M719 HydrophobicContact CB-CE 4.47Å; F705-M719 HydrophobicContact CD1-CE 3.68Å; F705-M719 HydrophobicContact CD1-SD 4.02Å; F705-M719 HydrophobicContact CE1-CE 4.49Å; S708-M719 WeakPolarHBondContact OG-CE 3.33Å; L711-M719 HydrophobicContact CD1-CG 4.28Å; L711-M719 HydrophobicContact CD1-SD 3.52Å; L711-M719 VanDerWaalsContact CD1-SD 3.52Å; E715-M719 WeakPolarHBondContact O-CB 3.39Å; E715-M719 PolarHBondContact O-N 3.32Å; R716-M719 CarbonylContact O-C 3.58Å; R716-M719 WeakPolarHBondContact O-CA 3.36Å; R716-M719 WeakPolarHBondContact O-CB 3.47Å; R716-M719 PolarHBondContact O-N 3.48Å; E717-M719 VanDerWaalsContact C-N 3.34Å; E717-M719 PolarHBondContact O-N 3.29Å; M719-T721 VanDerWaalsContact C-N 3.28Å; M719-T721 PolarHBondContact O-N 3.01Å; M719-L722 PolarHBondContact O-N 2.9Å; M719-L722 VanDerWaalsContact O-N 3.12Å; M719-L723 HydrophobicContact CE-CD1 4.22Å; M719-L723 WeakPolarHBondContact O-CG 3.37Å; M719-L723 PolarHBondContact O-N 3.15Å
720	E	70.5	Confident	61.6	Low	107 Å²	107	91.2 Å²	91.2	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-39	174.8	-70.4	176.3	-167.3	0	0	110	R716 L723 A724	R716-E720 WeakPolarHBondContact CD-OE1 3.36Å; R716-E720 WeakPolarHBondContact CG-OE1 3.33Å; R716-E720 IonicContact NE-OE1 3.85Å; R716-E720 PolarHBondContact NE-OE1 3.1Å; R716-E720 WeakPolarHBondContact O-CG 3.44Å; R716-E720 PolarHBondContact O-N 3.39Å; E720-L723 PolarHBondContact O-N 2.16Å; E720-A724 WeakPolarHBondContact O-CB 3.47Å; E720-A724 PolarHBondContact O-N 3.29Å
721	T	73.3	Confident	61	Low	66 Å²	66	87.6 Å²	87.6	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-60.8	-42.5	169.6	-61.8	0	0	0	0	112.5	E717 M719 A724 Q725	E717-T721 VanDerWaalsContact O-CB 3.24Å; E717-T721 WeakPolarHBondContact O-CB 3.48Å; E717-T721 PolarHBondContact O-N 2.89Å; E717-T721 PolarHBondContact O-OG1 2.87Å; M719-T721 VanDerWaalsContact C-N 3.28Å; M719-T721 PolarHBondContact O-N 3.01Å; T721-A724 PolarHBondContact O-N 3.27Å; T721-Q725 WeakPolarHBondContact O-CB 3.42Å; T721-Q725 VanDerWaalsContact O-CG 3.28Å; T721-Q725 WeakPolarHBondContact O-CG 3.37Å; T721-Q725 PolarHBondContact O-N 3.05Å
722	L	72.6	Confident	60	Low	98 Å²	98	92.1 Å²	92.1	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-68.3	-35.8	177.2	-77.2	167.6	0	0	0	113	S718 M719 Q725 Q726	S718-L722 VanDerWaalsContact O-CG 3.32Å; S718-L722 WeakPolarHBondContact O-CG 3.46Å; S718-L722 PolarHBondContact O-N 2.65Å; M719-L722 PolarHBondContact O-N 2.9Å; M719-L722 VanDerWaalsContact O-N 3.12Å; L722-Q725 PolarHBondContact O-N 2.83Å; L722-Q726 PolarHBondContact O-N 3Å
723	L	71.5	Confident	58.9	Low	63 Å²	63	94.4 Å²	94.4	33%	0.33	52%	0.517	S	S	.	.	H	α-helix	trans	-68.1	-42.7	173.3	-70.1	169.2	0	0	0	110.8	M719 E720 Q725 Q726 A727	M719-L723 HydrophobicContact CE-CD1 4.22Å; M719-L723 WeakPolarHBondContact O-CG 3.37Å; M719-L723 PolarHBondContact O-N 3.15Å; E720-L723 PolarHBondContact O-N 2.16Å; L723-Q725 PolarHBondContact O-N 3.17Å; L723-Q726 PolarHBondContact O-N 3.04Å; L723-A727 PolarHBondContact O-N 2.81Å
724	A	69.4	Low	57.9	Low	51 Å²	51	93 Å²	93	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-62.9	-37.9	172.5	0	0	0	0	0	112.4	E720 T721 Q726 A727 V728	E720-A724 WeakPolarHBondContact O-CB 3.47Å; E720-A724 PolarHBondContact O-N 3.29Å; T721-A724 PolarHBondContact O-N 3.27Å; A724-Q726 PolarHBondContact O-N 2.86Å; A724-A727 CarbonylContact O-C 3.45Å; A724-A727 WeakPolarHBondContact O-CA 3.44Å; A724-A727 WeakPolarHBondContact O-CB 3.47Å; A724-A727 PolarHBondContact O-N 2.71Å; A724-V728 WeakPolarHBondContact O-CG2 3.44Å; A724-V728 PolarHBondContact O-N 3.4Å
725	Q	60.7	Low	56.3	Low	119 Å²	119	89.2 Å²	89.2	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-65.8	-35.4	173.8	-77.2	175.7	13.2	0	0	112.5	T721 L722 L723 A727 G729	T721-Q725 WeakPolarHBondContact O-CB 3.42Å; T721-Q725 VanDerWaalsContact O-CG 3.28Å; T721-Q725 WeakPolarHBondContact O-CG 3.37Å; T721-Q725 PolarHBondContact O-N 3.05Å; L722-Q725 PolarHBondContact O-N 2.83Å; L723-Q725 PolarHBondContact O-N 3.17Å; Q725-A727 VanDerWaalsContact C-N 3.29Å; Q725-G729 WeakPolarHBondContact O-CA 3.07Å; Q725-G729 PolarHBondContact O-N 2.98Å
726	Q	56.8	Low	55.1	Low	122 Å²	122	91.7 Å²	91.7	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-67.4	-31	169.3	-71.9	-171.9	27.5	0	0	112.2	L722 L723 A724	L722-Q726 PolarHBondContact O-N 3Å; L723-Q726 PolarHBondContact O-N 3.04Å; A724-Q726 PolarHBondContact O-N 2.86Å
727	A	56.7	Low	53.6	Low	44 Å²	44	91.4 Å²	91.4	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-72.7	-43.4	176.2	0	0	0	0	0	113.4	A685 L723 A724 Q725	A685-A727 VanDerWaalsContact CB-CA 3.47Å; A685-A727 HydrophobicContact CB-CB 3.76Å; L723-A727 PolarHBondContact O-N 2.81Å; A724-A727 CarbonylContact O-C 3.45Å; A724-A727 WeakPolarHBondContact O-CA 3.44Å; A724-A727 WeakPolarHBondContact O-CB 3.47Å; A724-A727 PolarHBondContact O-N 2.71Å; Q725-A727 VanDerWaalsContact C-N 3.29Å
728	V	55.5	Low	52.3	Low	98 Å²	98	95.8 Å²	95.8	59%	0.594	57%	0.566	S	S	*	*	H	α-helix	trans	-82.2	-29.2	-178	178.3	0	0	0	0	112.2	A724 G730 S731	A724-V728 WeakPolarHBondContact O-CG2 3.44Å; A724-V728 PolarHBondContact O-N 3.4Å; V728-G730 PolarHBondContact O-N 2.99Å; V728-S731 PolarHBondContact O-N 2.98Å
729	G	45.1	Very low	50.4	Low	51 Å²	51	100.1 Å²	100.1	53%	0.526	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-61.6	-11.4	-177.5	0	0	0	0	0	115.7	Q725 S731	Q725-G729 WeakPolarHBondContact O-CA 3.07Å; Q725-G729 PolarHBondContact O-N 2.98Å; G729-S731 VanDerWaalsContact C-N 3.26Å; G729-S731 PolarHBondContact O-N 3.31Å
730	G	42.6	Very low	49	Very low	40 Å²	40	108.4 Å²	108.4	41%	0.412	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-73.6	-10.2	169.9	0	0	0	0	0	115	V728	V728-G730 PolarHBondContact O-N 2.99Å
731	S	41.7	Very low	47.1	Very low	98 Å²	98	108.1 Å²	108.1	69%	0.685	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-115.1	24.1	-165.9	-164.6	0	0	0	0	115.5	V728 G729	V728-S731 PolarHBondContact O-N 2.98Å; G729-S731 VanDerWaalsContact C-N 3.26Å; G729-S731 PolarHBondContact O-N 3.31Å
732	M	34.2	Very low	45.3	Very low	152 Å²	152	112 Å²	112	75%	0.749	65%	0.646	S	S	*	*			trans	-121.5	77.6	177.2	-71.5	-164.7	-74.8	0	0	112.8
733	V	37.3	Very low	43.4	Very low	131 Å²	131	115.2 Å²	115.2	79%	0.794	66%	0.659	S	S	*	*			trans	-132	39.9	163	-161.7	0	0	0	0	110.8
734	T	40.9	Very low	41.6	Very low	136 Å²	136	117.5 Å²	117.5	83%	0.834	68%	0.678	S	S	*	*	S	Bend	trans	-140.2	127.2	157.2	44.5	0	0	0	0	106.4
735	G	28.2	Very low	40.2	Very low	76 Å²	76	121 Å²	121	78%	0.784	70%	0.697	S	S	*	*			trans	-123.9	118.6	-167.2	0	0	0	0	0	113.7
736	I	35.7	Very low	38.8	Very low	137 Å²	137	121.8 Å²	121.8	70%	0.703	71%	0.709	S	S	*	*			trans	-140.3	121.9	151.6	-58.8	-177.7	0	0	0	106.9	Y738	I736-Y738 HydrophobicContact CG2-CD2 4.13Å; I736-Y738 HydrophobicContact CG2-CE2 3.94Å; I736-Y738 PolarHBondContact O-N 2.96Å
737	P	32.4	Very low	37.8	Very low	118 Å²	118	121.1 Å²	121.1	77%	0.766	72%	0.718	S	S	*	*			trans	-86.6	107.6	175.8	32.4	-30.4	0	0	0	110.8	I739	P737-I739 PolarHBondContact O-N 2.59Å
738	Y	36.3	Very low	36.6	Very low	220 Å²	220	124 Å²	124	86%	0.863	74%	0.736	S	S	*	*			trans	-82.4	94.1	167.8	-87.6	-83.2	0	0	0	110.6	I736	I736-Y738 HydrophobicContact CG2-CD2 4.13Å; I736-Y738 HydrophobicContact CG2-CE2 3.94Å; I736-Y738 PolarHBondContact O-N 2.96Å
739	I	33.8	Very low	35.5	Very low	144 Å²	144	124.6 Å²	124.6	74%	0.738	74%	0.739	S	S	*	*			trans	-111.4	112.2	160	-61.5	176.7	0	0	0	107.2	P737	P737-I739 PolarHBondContact O-N 2.59Å
740	F	34	Very low	34.7	Very low	206 Å²	206	130.1 Å²	130.1	90%	0.904	75%	0.752	S	S	*	*			trans	-152.2	143	141.1	-109.9	-73.1	0	0	0	109.7
741	S	30.4	Very low	34	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	77%	0.768	S	S	*	*			trans	-108.9	-169.2	179.5	-169.5	0	0	0	0	109.8
742	L	35	Very low	33.4	Very low	146 Å²	146	134.3 Å²	134.3	76%	0.764	78%	0.775	S	S	*	*			trans	86.8	134.5	176.7	-51.5	162.6	0	0	0	115.1
743	Q	32.1	Very low	33.1	Very low	166 Å²	166	130.2 Å²	130.2	78%	0.776	77%	0.772	S	S	*	*			cis	178.8	144.1	-42.3	169.1	170.7	-8.4	0	0	106.1
744	P	34.4	Very low	33	Very low	111 Å²	111	131.6 Å²	131.6	72%	0.721	77%	0.774	S	S	*	*			trans	-98.3	160.5	-159.7	37.3	-35.8	0	0	0	115.2
745	P	39.6	Very low	32.5	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	77%	0.771	S	S	*	*			trans	-102	147.8	162.6	36.6	-29.6	0	0	0	112.8
746	T	32.9	Very low	32.9	Very low	135 Å²	135	132.2 Å²	132.2	83%	0.828	77%	0.773	S	S	*	*			trans	-128.7	121.6	175.3	46	0	0	0	0	112.5
747	S	35.5	Very low	32.6	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	77%	0.774	S	S	*	*			trans	-170.7	105.3	163.9	51.8	0	0	0	0	108
748	S	31.8	Very low	32.8	Very low	105 Å²	105	136 Å²	136	73%	0.734	78%	0.781	S	S	*	*				79.3	130.4	65.1	75.3	0	0	0	0	114.5
749	T	31.2	Very low	32.4	Very low	110 Å²	110	134.1 Å²	134.1	68%	0.675	78%	0.78	S	S	*	*			trans	92.5	94.9	147.4	-48.7	0	0	0	0	119.3
750	Q	29.6	Very low	32.1	Very low	168 Å²	168	132.6 Å²	132.6	79%	0.785	78%	0.781	S	S	*	*			trans	87.4	122	131.1	-70.9	-179.8	22.3	0	0	124.3
751	V	27.4	Very low	32.1	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	78%	0.78	S	S	*	*				85.3	130.4	122.1	172.2	0	0	0	0	121.2
752	A	29.6	Very low	32	Very low	102 Å²	102	136.1 Å²	136.1	84%	0.843	79%	0.786	S	S	*	*			trans	65.6	145.1	165.1	0	0	0	0	0	117.4
753	G	27.9	Very low	31.8	Very low	65 Å²	65	137.7 Å²	137.7	67%	0.67	79%	0.792	S	S	*	*			cis	172.9	-170.2	-3.4	0	0	0	0	0	111.6
754	L	34.5	Very low	31.6	Very low	161 Å²	161	134.4 Å²	134.4	84%	0.843	79%	0.787	S	S	*	*			trans	71.9	106.6	-178.9	-48	174.8	0	0	0	113.5
755	N	29.8	Very low	31.5	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	79%	0.794	S	S	*	*				83.7	109	65.8	-74.5	-5.1	0	0	0	113.7
756	G	36.1	Very low	30.9	Very low	79 Å²	79	141 Å²	141	81%	0.814	79%	0.791	S	S	*	*			trans	-160.3	72.9	173.9	0	0	0	0	0	110
757	N	30.6	Very low	31	Very low	136 Å²	136	140.5 Å²	140.5	73%	0.727	78%	0.784	S	S	*	*			trans	-69.3	136.4	-172.2	-68.4	-35.8	0	0	0	112.7
758	H	36.2	Very low	30.8	Very low	198 Å²	198	141.9 Å²	141.9	92%	0.917	78%	0.782	S	S	*	*			trans	-142.3	128.5	138.1	-95.5	-73.9	0	0	0	111.3
759	Q	28.3	Very low	30.5	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	78%	0.78	S	S	*	*			trans	-80.8	173.5	167.1	-56.5	161	-22.7	0	0	108
760	C	26.3	Very low	30.4	Very low	112 Å²	112	145 Å²	145	76%	0.757	78%	0.78	S	S	*	*			cis	-156.9	148.4	12.9	-154.8	0	0	0	0	106.5
761	K	34.9	Very low	30.4	Very low	201 Å²	201	143.4 Å²	143.4	87%	0.874	78%	0.777	S	S	*	*				-161.4	154.7	77.7	-84.9	178.4	176.7	178	0	111.4
762	Q	27.3	Very low	30.6	Very low	180 Å²	180	145 Å²	145	84%	0.841	78%	0.781	S	S	*	*			trans	-109.8	147.6	171.4	-64	176.7	-9.9	0	0	110.8
763	M	31.5	Very low	30.4	Very low	178 Å²	178	146.3 Å²	146.3	88%	0.877	77%	0.773	S	S	*	*			trans	-156	92	145.3	-101	162.3	63.6	0	0	105.6
764	S	29.3	Very low	30.4	Very low	97 Å²	97	150.2 Å²	150.2	68%	0.678	77%	0.774	S	S	*	*				54.9	91.4	83.5	74.8	0	0	0	0	112
765	K	30.4	Very low	30	Very low	197 Å²	197	150.7 Å²	150.7	86%	0.857	77%	0.766	S	S	*	*				78.7	142.4	68	-173	178.6	-175.2	179	0	112.1
766	K	28.2	Very low	29.7	Very low	178 Å²	178	153.7 Å²	153.7	77%	0.774	77%	0.766	S	S	*	*			trans	95.8	145.3	-174.8	-63	-173.6	170.8	-169.1	0	113.6
767	D	33.7	Very low	29.2	Very low	125 Å²	125	155 Å²	155	67%	0.668	76%	0.763	S	S	*	*			cis	-157.4	164	-18.7	-90.8	-29.4	0	0	0	104.4
768	I	33	Very low	29.2	Very low	137 Å²	137	155.4 Å²	155.4	70%	0.703	76%	0.763	S	S	*	*			cis	-148.9	140.2	17.5	-131	149.5	0	0	0	105.7
769	L	25.3	Very low	28.8	Very low	135 Å²	135	152.2 Å²	152.2	71%	0.707	75%	0.753	S	S	*	*				69.2	145.8	83.9	-144.2	77.9	0	0	0	115.2
770	H	28.8	Very low	28.8	Very low	145 Å²	145	149.8 Å²	149.8	67%	0.671	75%	0.746	S	S	*	*			trans	70.1	138.3	-177.3	-58.7	-82	0	0	0	116.1
771	D	29.5	Very low	29.2	Very low	135 Å²	135	150.5 Å²	150.5	72%	0.722	74%	0.742	S	S	*	*			cis	-151.1	150.6	-15.1	-117.4	-12.4	0	0	0	112.7
772	L	32	Very low	29.1	Very low	157 Å²	157	145 Å²	145	82%	0.822	73%	0.729	S	S	*	*			trans	-82.4	168.4	149.5	-94	162.2	0	0	0	107.7
773	D	25.3	Very low	29.4	Very low	129 Å²	129	143 Å²	143	69%	0.69	72%	0.724	S	S	*	*			trans	70.2	150.4	-168.9	-77.6	-59	0	0	0	113.4
774	H	28.3	Very low	29.3	Very low	148 Å²	148	141.1 Å²	141.1	69%	0.685	72%	0.717	S	S	*	*			cis	-151.8	145.3	18.7	-133.6	21.8	0	0	0	113.7
775	Y	24.2	Very low	29.4	Very low	171 Å²	171	142.8 Å²	142.8	67%	0.671	73%	0.727	S	S	*	*			trans	41.8	126	131.8	-92.4	-141.8	0	0	0	124.1
776	R	25.2	Very low	29.3	Very low	209 Å²	209	142.6 Å²	142.6	79%	0.789	73%	0.726	S	S	*	*				73.6	124.7	128.6	-75.8	-170.9	176.9	-153.1	-2.6	122.7
777	S	25.5	Very low	29.5	Very low	106 Å²	106	142 Å²	142	74%	0.741	73%	0.73	S	S	*	*			trans	75.1	145.4	137.1	-143.1	0	0	0	0	115
778	I	29.1	Very low	29.2	Very low	144 Å²	144	140.9 Å²	140.9	74%	0.738	73%	0.732	S	S	*	*			cis	-150.2	151.5	44.5	-78.5	171.1	0	0	0	110.9
779	N	28.4	Very low	29	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	74%	0.739	S	S	*	*			trans	9.1	151.5	149.3	-51.1	0.1	0	0	0	119.6
780	N	28.9	Very low	29.2	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	74%	0.743	S	S	*	*			cis	-166.6	173.5	2.4	-110.5	20.1	0	0	0	106.3
781	D	34.9	Very low	29.1	Very low	127 Å²	127	136.4 Å²	136.4	68%	0.679	75%	0.746	S	S	*	*			cis	-132.8	144.1	20	-84.5	-53.3	0	0	0	110.4
782	S	31.6	Very low	29	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	75%	0.748	S	S	*	*				62.1	122.3	90.9	116.7	0	0	0	0	113.5
783	N	33.6	Very low	28.8	Very low	139 Å²	139	137.7 Å²	137.7	74%	0.743	74%	0.743	S	S	*	*			cis	-152.9	167.8	17.2	-76.4	-59.2	0	0	0	112.6
784	L	29.2	Very low	28.9	Very low	138 Å²	138	137.5 Å²	137.5	72%	0.723	75%	0.747	S	S	*	*			cis	-171.5	114.7	-33.9	-169.9	156.5	0	0	0	109.1
785	C	32	Very low	29.1	Very low	131 Å²	131	136.1 Å²	136.1	89%	0.885	75%	0.751	S	S	*	*			trans	-157.3	108.4	155.9	-105.8	0	0	0	0	111.5
786	K	29.1	Very low	29.3	Very low	194 Å²	194	138.7 Å²	138.7	84%	0.843	76%	0.76	S	S	*	*			trans	-97	167.9	166.3	-69.7	178.8	178.9	174.7	0	107.1
787	I	30.8	Very low	29.4	Very low	166 Å²	166	135.3 Å²	135.3	85%	0.851	76%	0.756	S	S	*	*			cis	-149.7	156.8	42.7	-68	164.2	0	0	0	109.6
788	S	27.4	Very low	29.7	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	75%	0.753	S	S	*	*			trans	-149.6	168.5	175.2	-171.5	0	0	0	0	112.7
789	T	30	Very low	29.7	Very low	141 Å²	141	134.7 Å²	134.7	87%	0.865	76%	0.755	S	S	*	*			trans	73	140.6	171.7	70.8	0	0	0	0	117.9
790	G	28.4	Very low	29.9	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	76%	0.757	S	S	*	*			trans	-176	8.6	-171.9	0	0	0	0	0	122.4
791	S	27.5	Very low	30.1	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	76%	0.758	S	S	*	*			trans	58.4	152	157.4	-136.6	0	0	0	0	123.4
792	M	27.2	Very low	30.2	Very low	155 Å²	155	134.9 Å²	134.9	76%	0.764	76%	0.76	S	S	*	*			trans	79	122.6	149.3	-61.7	-111.4	151	0	0	123.3
793	F	29	Very low	30.2	Very low	163 Å²	163	137.4 Å²	137.4	72%	0.715	77%	0.765	S	S	*	*			trans	60.2	102.2	139.3	-80.3	-98.6	0	0	0	123.9
794	T	26.2	Very low	30.1	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	77%	0.771	S	S	*	*			trans	71.5	162.4	130.7	57.5	0	0	0	0	119.9
795	P	33.9	Very low	30.2	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	77%	0.771	S	S	*	*			trans	-117.6	160.9	-145.8	41.6	-34.5	0	0	0	117.6
796	R	26.5	Very low	30	Very low	226 Å²	226	137.2 Å²	137.2	85%	0.853	77%	0.765	S	S	*	*			trans	-173.7	131.2	133.5	-105.1	-177.9	170.9	-176.2	-2.6	114.5
797	I	27.3	Very low	30.1	Very low	137 Å²	137	133.9 Å²	133.9	70%	0.703	76%	0.763	S	S	*	*			trans	27.3	122.3	131.6	-35.4	165.5	0	0	0	116.4
798	T	32.1	Very low	30	Very low	111 Å²	111	132.2 Å²	132.2	68%	0.681	76%	0.761	S	S	*	*				-166.8	132	71.7	45.7	0	0	0	0	115.9
799	T	30.1	Very low	30	Very low	126 Å²	126	135.5 Å²	135.5	77%	0.773	77%	0.767	S	S	*	*			trans	57.8	150.8	142	63.5	0	0	0	0	121.2
800	K	33.2	Very low	30	Very low	175 Å²	175	134.2 Å²	134.2	76%	0.761	76%	0.764	S	S	*	*			cis	-162.2	140.1	19	-140.9	167	-176.7	179.3	0	112.3
801	T	33.2	Very low	29.9	Very low	117 Å²	117	137.6 Å²	137.6	72%	0.718	76%	0.764	S	S	*	*			trans	50.5	143.5	150.3	46.1	0	0	0	0	121.5
802	S	35.2	Very low	30	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	77%	0.772	S	S	*	*			cis	-157.6	125.6	-1.2	43.4	0	0	0	0	108.5
803	I	31.4	Very low	30	Very low	139 Å²	139	140.3 Å²	140.3	71%	0.713	77%	0.772	S	S	*	*				72.8	112.7	65.6	-57.3	159.6	0	0	0	113.5
804	L	32.8	Very low	30	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	78%	0.777	S	S	*	*				-168.5	156.1	108.2	-88.2	175.1	0	0	0	109.8
805	P	30.8	Very low	30	Very low	112 Å²	112	137.1 Å²	137.1	73%	0.727	77%	0.772	S	S	*	*			trans	-135.8	179.6	-136.7	43.3	-26.8	0	0	0	118.1
806	V	28.3	Very low	29.6	Very low	127 Å²	127	136.5 Å²	136.5	77%	0.77	77%	0.77	S	S	*	*			trans	-99.7	143.7	165.6	176.3	0	0	0	0	110.3
807	P	31.7	Very low	29.6	Very low	124 Å²	124	132.2 Å²	132.2	81%	0.805	76%	0.763	S	S	*	*			trans	-102.6	137.8	166.6	35.6	-28.4	0	0	0	113
808	T	28.7	Very low	29.5	Very low	131 Å²	131	134 Å²	134	80%	0.804	77%	0.769	S	S	*	*			trans	-122.9	156.2	175.3	-49.4	0	0	0	0	110.4
809	M	26	Very low	29.3	Very low	170 Å²	170	137.4 Å²	137.4	84%	0.837	78%	0.776	S	S	*	*			trans	-44.8	141.5	-177.2	-62.6	-78.6	95.6	0	0	116.2
810	S	29.7	Very low	29.3	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	78%	0.78	S	S	*	*			trans	-166.4	122	142.5	-85.1	0	0	0	0	114.8
811	N	26.7	Very low	29	Very low	147 Å²	147	134.1 Å²	134.1	79%	0.786	78%	0.778	S	S	*	*			trans	4.5	132.1	148.1	-51	-20.8	0	0	0	120.6
812	L	29.5	Very low	28.8	Very low	171 Å²	171	137.9 Å²	137.9	90%	0.895	78%	0.784	S	S	*	*				170.5	147.9	107.1	-92.6	160.2	0	0	0	112.3
813	L	26.8	Very low	28.4	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	78%	0.78	S	S	*	*			trans	-81.4	160.4	172.7	-133.6	77.2	0	0	0	110.5
814	P	30.3	Very low	28.2	Very low	124 Å²	124	137.9 Å²	137.9	81%	0.805	78%	0.783	S	S	*	*				-137.1	170.2	99	38.8	-28.5	0	0	0	114.9
815	S	25.7	Very low	27.9	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	77%	0.766	S	S	*	*			trans	-79.1	165.9	-173.2	49	0	0	0	0	115.5
816	S	25	Very low	27.7	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	75%	0.753	S	S	*	*				110.4	148.4	125.2	-121.7	0	0	0	0	120.1
817	I	26.1	Very low	27.7	Very low	136 Å²	136	132.8 Å²	132.8	70%	0.697	75%	0.751	S	S	*	*			trans	85.3	103.2	150.7	-69.6	161.9	0	0	0	119.4
818	Q	26.5	Very low	27.6	Very low	176 Å²	176	137 Å²	137	82%	0.822	75%	0.753	S	S	*	*			trans	74.7	123.3	138.4	-69.3	172.3	-11.5	0	0	122
819	H	27.6	Very low	27.4	Very low	182 Å²	182	135.7 Å²	135.7	84%	0.843	75%	0.745	S	S	*	*			trans	-63.6	163.1	157	-52.8	-88	0	0	0	111.9
820	P	30.4	Very low	27.5	Very low	131 Å²	131	136 Å²	136	85%	0.851	74%	0.744	S	S	*	*				-120.1	164.6	117.2	35	-33.1	0	0	0	113
821	S	26	Very low	27.4	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	74%	0.742	S	S	*	*			trans	-128.2	175	-176.7	60	0	0	0	0	111.6
822	K	30	Very low	27.4	Very low	196 Å²	196	139.1 Å²	139.1	85%	0.852	74%	0.741	S	S	*	*			trans	110.3	153	175.3	-66.1	160.3	-174.9	176.5	0	113.9
823	S	26.3	Very low	27.3	Very low	88 Å²	88	134.5 Å²	134.5	62%	0.615	73%	0.727	S	S	*	*			cis	176	169.4	-30.1	55.7	0	0	0	0	109.5
824	I	28.2	Very low	27.4	Very low	152 Å²	152	135.5 Å²	135.5	78%	0.779	73%	0.728	S	S	*	*			trans	75.9	153.7	163.3	-58.2	156.7	0	0	0	114.4
825	S	25.8	Very low	27.2	Very low	72 Å²	72	136.7 Å²	136.7	50%	0.503	73%	0.727	S	S	.	*			cis	153.8	149.7	-44.1	-81.6	0	0	0	0	110.3
826	S	27.2	Very low	27.3	Very low	65 Å²	65	138.9 Å²	138.9	46%	0.455	73%	0.729	S	S	.	*			cis	-175.1	-174.9	-18.7	52.9	0	0	0	0	109.8
827	H	28.5	Very low	27.7	Very low	158 Å²	158	138.7 Å²	138.7	73%	0.731	73%	0.725	S	S	*	*			trans	83.4	170.1	166.5	-69.5	-72.4	0	0	0	121.6
828	Y	28.1	Very low	27.7	Very low	214 Å²	214	138 Å²	138	84%	0.839	73%	0.728	S	S	*	*			trans	81.6	108.1	-173.7	-57.9	-75.1	0	0	0	116
829	T	25.4	Very low	27.7	Very low	103 Å²	103	136.6 Å²	136.6	63%	0.632	72%	0.724	S	S	*	*			cis	93.9	119.5	22.6	75.7	0	0	0	0	117.6
830	H	28	Very low	27.7	Very low	177 Å²	177	133.5 Å²	133.5	82%	0.819	71%	0.714	S	S	*	*			trans	54.6	124	155.9	-70.7	-74.7	0	0	0	121.2
831	Q	27.6	Very low	27.5	Very low	162 Å²	162	130.8 Å²	130.8	76%	0.757	69%	0.69	S	S	*	*				-179.4	128.3	106	-92.2	-175.7	-73.2	0	0	108.9
832	E	26.2	Very low	27.4	Very low	164 Å²	164	133.4 Å²	133.4	77%	0.766	69%	0.691	S	S	*	*				65.5	137.5	96.3	-64.8	-173.1	117.8	0	0	115.7
833	A	28.5	Very low	27.2	Very low	74 Å²	74	132.5 Å²	132.5	61%	0.612	69%	0.69	S	S	*	*			cis	-170.8	178.2	-11.9	0	0	0	0	0	111.2
834	Q	28.9	Very low	27.3	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	70%	0.699	S	S	*	*			trans	73.1	138.2	163.1	-42	-173.9	11.6	0	0	116.4
835	L	26.2	Very low	27.1	Very low	150 Å²	150	137 Å²	137	79%	0.785	70%	0.703	S	S	*	*			cis	-140.9	150.9	-4.3	-73.5	100.2	0	0	0	108.6
836	I	27.1	Very low	27.1	Very low	144 Å²	144	140 Å²	140	74%	0.738	71%	0.713	S	S	*	*			cis	80.8	122.3	-0.4	-51.5	174.8	0	0	0	116
837	P	33.6	Very low	27.2	Very low	99 Å²	99	146 Å²	146	64%	0.643	73%	0.734	S	S	*	*			cis	-148.5	-179	-18.7	41	-20.8	0	0	0	117.9
838	T	26	Very low	27.1	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	73%	0.732	S	S	*	*			trans	66.4	156.5	153	45.7	0	0	0	0	119.1
839	I	27	Very low	27.1	Very low	146 Å²	146	139.4 Å²	139.4	75%	0.749	72%	0.72	S	S	*	*			cis	-129.9	145.6	27.6	-69.4	170.7	0	0	0	113.6
840	N	26.4	Very low	27.4	Very low	118 Å²	118	142.8 Å²	142.8	63%	0.631	73%	0.729	S	S	*	*			trans	1.8	131	161.8	-49.8	-13.9	0	0	0	120.8	I1079	N840-I1079 HydrophobicContact CB-CD1 4.27Å; N840-I1079 VanDerWaalsContact O-CD1 3.28Å; N840-I1079 WeakPolarHBondContact O-CD1 3.13Å
841	E	26.5	Very low	27.7	Very low	73 Å²	73	141.9 Å²	141.9	34%	0.341	72%	0.724	S	S	.	*			trans	-140	140.2	153.4	-81.6	-72.6	146.5	0	0	108	P1077 F1078 I1079	E841-P1077 HydrophobicContact CB-CG 4.26Å; E841-P1077 VanDerWaalsContact CD-C 3.5Å; E841-P1077 VanDerWaalsContact OE2-C 3.27Å; E841-P1077 WeakPolarHBondContact OE2-CB 3.42Å; E841-F1078 PolarHBondContact OE2-N 2.9Å; E841-I1079 PolarHBondContact OE1-N 2.96Å; E841-I1079 PolarHBondContact OE2-N 3.02Å
842	Q	24.4	Very low	28	Very low	156 Å²	156	136.8 Å²	136.8	73%	0.729	71%	0.707	S	S	*	*			trans	-109.2	92.3	-165.9	-71.3	-175.4	-47.4	0	0	114.2
843	E	25.2	Very low	28.3	Very low	177 Å²	177	134.1 Å²	134.1	83%	0.827	70%	0.697	S	S	*	*			trans	-149.9	57.3	168.2	-148.3	170.6	-136.9	0	0	113
844	N	28.4	Very low	28.6	Very low	151 Å²	151	134 Å²	134	81%	0.807	69%	0.686	S	S	*	*			trans	-149.1	53.8	-176.2	-141.4	-16.9	0	0	0	115.4
845	Q	24.2	Very low	28.9	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.864	67%	0.671	S	S	*	*			trans	-139.7	73.2	164.5	-72.3	-164.6	8.2	0	0	111.7
846	N	25.7	Very low	29.2	Very low	133 Å²	133	126.5 Å²	126.5	71%	0.711	66%	0.655	S	S	*	*	S	Bend	trans	-160.4	25.7	156.4	-104.5	-34.9	0	0	0	114.9
847	H	29.2	Very low	29.6	Very low	193 Å²	193	128.7 Å²	128.7	89%	0.894	65%	0.654	S	S	*	*	S	Bend	trans	-126.2	39.9	173.3	-86	-57.2	0	0	0	112.9
848	S	27	Very low	29.8	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	66%	0.657	S	S	*	*			trans	-154.9	75.6	168.7	-167.2	0	0	0	0	112.4
849	F	26.8	Very low	30.2	Very low	133 Å²	133	131 Å²	131	58%	0.583	65%	0.652	S	S	*	*			trans	-139.2	-15.1	166.7	-104	-73.9	0	0	0	114.7	H851 S852	F849-H851 PolarHBondContact O-N 3.37Å; F849-S852 WeakPolarHBondContact CD1-OG 3.46Å; F849-S852 WeakPolarHBondContact CE1-OG 3.47Å; F849-S852 PolarHBondContact O-N 2.89Å
850	Q	32.2	Very low	30.6	Very low	175 Å²	175	129.2 Å²	129.2	82%	0.818	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-58.1	-38.6	174.4	-147.1	72.4	25.7	0	0	112
851	H	35.5	Very low	31.1	Very low	157 Å²	157	130.9 Å²	130.9	73%	0.727	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-85.7	-2.2	-178.9	-92.8	-38.1	0	0	0	115.9	F849 D854	F849-H851 PolarHBondContact O-N 3.37Å; H851-D854 IonicContact CE1-OD2 3.38Å; H851-D854 IonicContact CG-OD2 3.45Å; H851-D854 IonicContact ND1-OD2 3.15Å; H851-D854 PolarHBondContact ND1-OD2 3.07Å
852	S	32.9	Very low	31.3	Very low	56 Å²	56	131.9 Å²	131.9	39%	0.392	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-91.6	-3.5	178	97.4	0	0	0	0	113.5	F849	F849-S852 WeakPolarHBondContact CD1-OG 3.46Å; F849-S852 WeakPolarHBondContact CE1-OG 3.47Å; F849-S852 PolarHBondContact O-N 2.89Å
853	L	32.5	Very low	31.7	Very low	108 Å²	108	128 Å²	128	57%	0.565	66%	0.656	S	S	*	*	S	Bend	trans	-106.1	-21.5	-177.8	-73.5	168.7	0	0	0	112.8	I856 R857	L853-I856 PolarHBondContact O-N 2.97Å; L853-R857 PolarHBondContact O-N 2.86Å
854	D	34.5	Very low	31.8	Very low	70 Å²	70	126.8 Å²	126.8	37%	0.374	65%	0.651	S	S	.	*	H	α-helix	trans	-56	-44.8	179.4	-56	-40.9	0	0	0	113.1	H851 I856 R857 E858	H851-D854 IonicContact CE1-OD2 3.38Å; H851-D854 IonicContact CG-OD2 3.45Å; H851-D854 IonicContact ND1-OD2 3.15Å; H851-D854 PolarHBondContact ND1-OD2 3.07Å; D854-I856 VanDerWaalsContact C-N 3.26Å; D854-I856 PolarHBondContact O-N 2.86Å; D854-R857 WeakPolarHBondContact O-CB 2.97Å; D854-R857 PolarHBondContact O-N 3.29Å; D854-E858 PolarHBondContact O-N 3.12Å
855	P	35	Very low	31.8	Very low	73 Å²	73	125.7 Å²	125.7	47%	0.474	64%	0.64	S	S	.	*	H	α-helix	trans	-65.7	-26	-179.2	-21.2	34.1	0	0	0	114	N859	P855-N859 PolarHBondContact O-ND2 3.25Å
856	I	34.1	Very low	32.1	Very low	88 Å²	88	122.9 Å²	122.9	45%	0.451	63%	0.631	S	S	.	*	H	α-helix	trans	-77.2	-31.1	176.9	-58.7	176.8	0	0	0	109.7	L853 D854 L860	L853-I856 PolarHBondContact O-N 2.97Å; D854-I856 VanDerWaalsContact C-N 3.26Å; D854-I856 PolarHBondContact O-N 2.86Å; I856-L860 HydrophobicContact CG2-CD1 4.43Å
857	R	34.8	Very low	32.2	Very low	191 Å²	191	125.8 Å²	125.8	72%	0.721	64%	0.641	S	S	*	*	H	α-helix	trans	-74.4	-33.4	-178.9	-150.7	174.5	-167.5	178.8	2.8	113.1	L853 D854	L853-R857 PolarHBondContact O-N 2.86Å; D854-R857 WeakPolarHBondContact O-CB 2.97Å; D854-R857 PolarHBondContact O-N 3.29Å
858	E	36.6	Very low	32.5	Very low	150 Å²	150	123.5 Å²	123.5	70%	0.701	64%	0.635	S	S	*	*	H	α-helix	trans	-75.3	-39.1	175.4	-66	-166.2	141.6	0	0	112.9	D854 L860 L861	D854-E858 PolarHBondContact O-N 3.12Å; E858-L860 PolarHBondContact O-N 3.43Å; E858-L861 PolarHBondContact O-N 3.16Å; E858-L861 VanDerWaalsContact O-N 3.08Å
859	N	35.5	Very low	32.7	Very low	120 Å²	120	123.5 Å²	123.5	64%	0.642	62%	0.624	S	S	*	*	H	α-helix	trans	-66.6	-20.4	-178.2	-83.2	-71.4	0	0	0	114.3	P855 S862	P855-N859 PolarHBondContact O-ND2 3.25Å; N859-S862 PolarHBondContact O-OG 3.41Å
860	L	34.9	Very low	32.8	Very low	108 Å²	108	123.3 Å²	123.3	57%	0.565	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-6	174.6	-92.2	141.5	0	0	0	114.1	I856 E858 L876	I856-L860 HydrophobicContact CG2-CD1 4.43Å; E858-L860 PolarHBondContact O-N 3.43Å; L860-L876 HydrophobicContact CD1-CD1 3.91Å
861	L	36.9	Very low	32.9	Very low	152 Å²	152	118.8 Å²	118.8	80%	0.796	62%	0.616	S	S	*	*	S	Bend	trans	-99.9	3.7	-178	-74.2	168.6	0	0	0	114.2	E858	E858-L861 PolarHBondContact O-N 3.16Å; E858-L861 VanDerWaalsContact O-N 3.08Å
862	S	31	Very low	33	Very low	95 Å²	95	115.8 Å²	115.8	66%	0.664	61%	0.605	S	S	*	*	S	Bend	trans	-120.1	-7	-172.7	59	0	0	0	0	115.7	N859	N859-S862 PolarHBondContact O-OG 3.41Å
863	S	32	Very low	33.2	Very low	73 Å²	73	116 Å²	116	51%	0.51	61%	0.607	S	S	.	*			trans	-104.3	94	-177.6	-170.3	0	0	0	0	112.3
864	Q	28.6	Very low	33.7	Very low	153 Å²	153	115.6 Å²	115.6	72%	0.715	61%	0.605	S	S	*	*			trans	-79.2	147.1	160.5	-70.5	-172.8	-14.7	0	0	110.1
865	H	28.8	Very low	34.6	Very low	127 Å²	127	118.4 Å²	118.4	59%	0.588	61%	0.614	S	S	*	*			trans	61.4	96.9	175.9	-78.6	-99.2	0	0	0	117.2	V310	V310-H865 WeakPolarHBondContact CG2-CD2 3.39Å; V310-H865 VanDerWaalsContact CG2-NE2 3.33Å; V310-H865 WeakPolarHBondContact CG2-NE2 3.25Å
866	N	29.1	Very low	35.1	Very low	126 Å²	126	118.8 Å²	118.8	67%	0.674	61%	0.612	S	S	*	*				-170	130.5	116.2	-93.9	-36.1	0	0	0	111.1	N868 Q869	N866-N868 PolarHBondContact O-N 3.09Å; N866-N868 VanDerWaalsContact O-N 3.08Å; N866-Q869 PolarHBondContact O-N 2.97Å
867	E	29	Very low	35.7	Very low	195 Å²	195	118.6 Å²	118.6	91%	0.911	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-72.1	-2.3	-172.7	-69.7	172	121.8	0	0	114.3
868	N	34.3	Very low	36.4	Very low	145 Å²	145	112 Å²	112	78%	0.775	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-84.3	-2	177.7	-69.1	-2.4	0	0	0	114.6	N866 L870	N866-N868 PolarHBondContact O-N 3.09Å; N866-N868 VanDerWaalsContact O-N 3.08Å; N868-L870 PolarHBondContact O-N 3.34Å
869	Q	32.3	Very low	37.2	Very low	99 Å²	99	109.6 Å²	109.6	46%	0.463	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-74.4	-4.4	-179.5	-70	-172.3	9.1	0	0	114.6	N866 S871 D872 S873	N866-Q869 PolarHBondContact O-N 2.97Å; Q869-S871 PolarHBondContact O-N 3.09Å; Q869-S871 VanDerWaalsContact O-N 3.15Å; Q869-D872 PolarHBondContact O-N 3.27Å; Q869-D872 VanDerWaalsContact O-N 3.14Å; Q869-S873 PolarHBondContact O-N 2.66Å; Q869-S873 PolarHBondContact O-OG 3.32Å
870	L	29.4	Very low	38.1	Very low	128 Å²	128	111.5 Å²	111.5	67%	0.67	58%	0.584	S	S	*	*	H	α-helix	trans	-60.7	-27.6	-173.2	-151.9	74.8	0	0	0	113.7	N868 S873 N874	N868-L870 PolarHBondContact O-N 3.34Å; L870-S873 WeakPolarHBondContact CA-OG 3.42Å; L870-S873 PolarHBondContact O-OG 2.82Å; L870-N874 VanDerWaalsContact O-CG 3.29Å; L870-N874 PolarHBondContact O-N 3.19Å; L870-N874 PolarHBondContact O-ND2 3.34Å
871	S	32.3	Very low	38.9	Very low	80 Å²	80	111.4 Å²	111.4	56%	0.559	58%	0.576	S	S	*	*	H	α-helix	trans	-73.5	-43.5	176	55.5	0	0	0	0	112.5	Q869 N874 K875	Q869-S871 PolarHBondContact O-N 3.09Å; Q869-S871 VanDerWaalsContact O-N 3.15Å; S871-N874 PolarHBondContact O-N 2.88Å; S871-K875 PolarHBondContact O-N 2.83Å; S871-K875 VanDerWaalsContact O-N 3.13Å
872	D	39	Very low	39.7	Very low	94 Å²	94	108.1 Å²	108.1	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-74.6	-28.7	177.5	-81	-35.3	0	0	0	112.3	Q869 N874 K875 L876	Q869-D872 PolarHBondContact O-N 3.27Å; Q869-D872 VanDerWaalsContact O-N 3.14Å; D872-N874 VanDerWaalsContact C-N 3.32Å; D872-N874 PolarHBondContact O-N 2.9Å; D872-K875 WeakPolarHBondContact O-CB 3.44Å; D872-K875 PolarHBondContact O-N 3.43Å; D872-K875 WeakPolarHBondContact OD1-CD 3.16Å; D872-K875 IonicContact OD1-NZ 3.7Å; D872-L876 WeakPolarHBondContact O-CB 3.18Å; D872-L876 PolarHBondContact O-N 2.81Å
873	S	37.1	Very low	40.8	Very low	60 Å²	60	108.8 Å²	108.8	42%	0.42	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-39.4	169.9	55.4	0	0	0	0	112.1	Q869 L870 K875 L876 L877	Q869-S873 PolarHBondContact O-N 2.66Å; Q869-S873 PolarHBondContact O-OG 3.32Å; L870-S873 WeakPolarHBondContact CA-OG 3.42Å; L870-S873 PolarHBondContact O-OG 2.82Å; S873-K875 VanDerWaalsContact C-N 3.34Å; S873-L876 PolarHBondContact O-N 3.45Å; S873-L877 VanDerWaalsContact O-CB 3.32Å; S873-L877 WeakPolarHBondContact O-CB 3.16Å; S873-L877 PolarHBondContact O-N 2.72Å
874	N	43.1	Very low	41.9	Very low	100 Å²	100	110.2 Å²	110.2	54%	0.535	55%	0.545	S	S	.	.	H	α-helix	trans	-67.6	-36.9	175.3	-68.8	-8.9	0	0	0	111.6	L870 S871 D872 L877 S878	L870-N874 VanDerWaalsContact O-CG 3.29Å; L870-N874 PolarHBondContact O-N 3.19Å; L870-N874 PolarHBondContact O-ND2 3.34Å; S871-N874 PolarHBondContact O-N 2.88Å; D872-N874 VanDerWaalsContact C-N 3.32Å; D872-N874 PolarHBondContact O-N 2.9Å; N874-L877 PolarHBondContact O-N 2.95Å; N874-S878 PolarHBondContact O-N 3.5Å; N874-S878 PolarHBondContact O-OG 2.71Å
875	K	52.4	Low	42.9	Very low	129 Å²	129	105.7 Å²	105.7	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-67.1	-37	176.2	-143.9	176.7	-167.9	173.6	0	113	S871 D872 S873 S878 L879	S871-K875 PolarHBondContact O-N 2.83Å; S871-K875 VanDerWaalsContact O-N 3.13Å; D872-K875 WeakPolarHBondContact O-CB 3.44Å; D872-K875 PolarHBondContact O-N 3.43Å; D872-K875 WeakPolarHBondContact OD1-CD 3.16Å; D872-K875 IonicContact OD1-NZ 3.7Å; S873-K875 VanDerWaalsContact C-N 3.34Å; K875-S878 PolarHBondContact O-OG 2.82Å; K875-S878 VanDerWaalsContact O-OG 3.05Å; K875-L879 WeakPolarHBondContact O-CB 3.49Å; K875-L879 WeakPolarHBondContact O-CG 3.29Å; K875-L879 PolarHBondContact O-N 2.84Å; K875-L879 VanDerWaalsContact O-N 3.09Å
876	L	45.9	Very low	44.1	Very low	82 Å²	82	103 Å²	103	43%	0.429	51%	0.513	S	S	.	.	H	α-helix	trans	-75.2	-36.2	175.7	-153.2	159.6	0	0	0	110.4	L860 D872 S873 L879 W880	L860-L876 HydrophobicContact CD1-CD1 3.91Å; D872-L876 WeakPolarHBondContact O-CB 3.18Å; D872-L876 PolarHBondContact O-N 2.81Å; S873-L876 PolarHBondContact O-N 3.45Å; L876-L879 PolarHBondContact O-N 2.78Å; L876-W880 WeakPolarHBondContact O-CB 3.41Å; L876-W880 PolarHBondContact O-N 3.24Å
877	L	47.3	Very low	45.2	Very low	84 Å²	84	101.7 Å²	101.7	44%	0.44	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-40.8	172.1	-167.5	71.5	0	0	0	112.2	S873 N874 W880 R881	S873-L877 VanDerWaalsContact O-CB 3.32Å; S873-L877 WeakPolarHBondContact O-CB 3.16Å; S873-L877 PolarHBondContact O-N 2.72Å; N874-L877 PolarHBondContact O-N 2.95Å; L877-W880 PolarHBondContact O-N 2.89Å; L877-R881 WeakPolarHBondContact O-CB 3.47Å; L877-R881 WeakPolarHBondContact O-CG 3.24Å; L877-R881 PolarHBondContact O-N 3.47Å
878	S	48.5	Very low	46.4	Very low	52 Å²	52	95.1 Å²	95.1	36%	0.364	48%	0.479	S	S	.	.	H	α-helix	trans	-69.7	-39.8	176.3	68.3	0	0	0	0	112.3	N874 K875 W880 R881 Q882	N874-S878 PolarHBondContact O-N 3.5Å; N874-S878 PolarHBondContact O-OG 2.71Å; K875-S878 PolarHBondContact O-OG 2.82Å; K875-S878 VanDerWaalsContact O-OG 3.05Å; S878-W880 VanDerWaalsContact C-N 3.33Å; S878-W880 PolarHBondContact O-N 2.95Å; S878-R881 PolarHBondContact O-N 3.03Å; S878-Q882 WeakPolarHBondContact O-CB 3.49Å; S878-Q882 PolarHBondContact O-N 3.2Å
879	L	53.1	Low	47.5	Very low	99 Å²	99	92.8 Å²	92.8	52%	0.518	46%	0.462	S	S	.	.	H	α-helix	trans	-60.6	-39	169.8	-83.3	165.3	0	0	0	112.8	K875 L876 K883	K875-L879 WeakPolarHBondContact O-CB 3.49Å; K875-L879 WeakPolarHBondContact O-CG 3.29Å; K875-L879 PolarHBondContact O-N 2.84Å; K875-L879 VanDerWaalsContact O-N 3.09Å; L876-L879 PolarHBondContact O-N 2.78Å; L879-K883 PolarHBondContact O-N 2.93Å
880	W	55.6	Low	48.5	Very low	160 Å²	160	91 Å²	91	61%	0.606	46%	0.459	S	S	*	.	H	α-helix	trans	-68.5	-45.4	176.3	-173.4	88.8	0	0	0	111.6	L876 L877 S878 Q882 K883 F884	L876-W880 WeakPolarHBondContact O-CB 3.41Å; L876-W880 PolarHBondContact O-N 3.24Å; L877-W880 PolarHBondContact O-N 2.89Å; S878-W880 VanDerWaalsContact C-N 3.33Å; S878-W880 PolarHBondContact O-N 2.95Å; W880-Q882 PolarHBondContact O-N 2.67Å; W880-K883 PolarHBondContact O-N 3.17Å; W880-F884 HydrophobicContact CH2-CD2 4.13Å; W880-F884 HydrophobicContact CH2-CG 4.39Å; W880-F884 HydrophobicContact CZ2-CD2 4.41Å; W880-F884 HydrophobicContact CZ3-CB 4.43Å; W880-F884 HydrophobicContact CZ3-CG 4.48Å; W880-F884 VanDerWaalsContact O-CB 3.31Å; W880-F884 WeakPolarHBondContact O-CB 3.28Å; W880-F884 PolarHBondContact O-N 2.82Å
881	R	51.5	Low	49.7	Very low	107 Å²	107	89.4 Å²	89.4	40%	0.404	45%	0.454	S	S	.	.	H	α-helix	trans	-57.5	-47.4	172.8	-77.3	172.7	168.4	-174.5	-3.4	111.4	L877 S878 F884 I885 E1109	L877-R881 WeakPolarHBondContact O-CB 3.47Å; L877-R881 WeakPolarHBondContact O-CG 3.24Å; L877-R881 PolarHBondContact O-N 3.47Å; S878-R881 PolarHBondContact O-N 3.03Å; R881-F884 PolarHBondContact O-N 3.21Å; R881-I885 VanDerWaalsContact O-CG1 3.29Å; R881-I885 WeakPolarHBondContact O-CG1 3.44Å; R881-I885 PolarHBondContact O-N 3.06Å; R881-E1109 IonicContact CZ-OE1 3.96Å; R881-E1109 IonicContact NH1-OE1 2.68Å; R881-E1109 PolarHBondContact NH1-OE1 3.29Å
882	Q	52.5	Low	50.6	Low	82 Å²	82	92 Å²	92	38%	0.383	45%	0.452	S	S	.	.	H	α-helix	trans	-55.9	-54.4	176.9	-179.5	-176.6	-13.8	0	0	110.9	S878 W880 F884 I885 E886	S878-Q882 WeakPolarHBondContact O-CB 3.49Å; S878-Q882 PolarHBondContact O-N 3.2Å; W880-Q882 PolarHBondContact O-N 2.67Å; Q882-F884 VanDerWaalsContact C-N 3.31Å; Q882-F884 PolarHBondContact O-N 2.58Å; Q882-I885 PolarHBondContact O-N 3.34Å; Q882-E886 HydrophobicContact CG-CG 4.39Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.33Å; Q882-E886 PolarHBondContact NE2-OE1 3.38Å; Q882-E886 WeakPolarHBondContact O-CB 3.33Å; Q882-E886 WeakPolarHBondContact O-CG 3.45Å; Q882-E886 PolarHBondContact O-N 2.95Å
883	K	55.8	Low	51.5	Low	110 Å²	110	91.7 Å²	91.7	48%	0.478	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-30.5	179.5	-76.6	-160.3	170.1	-165.1	0	113.6	L879 W880 N887	L879-K883 PolarHBondContact O-N 2.93Å; W880-K883 PolarHBondContact O-N 3.17Å; K883-N887 WeakPolarHBondContact O-CB 3.43Å; K883-N887 PolarHBondContact O-N 3.27Å; K883-N887 VanDerWaalsContact O-N 3.09Å; K883-N887 PolarHBondContact O-ND2 2.78Å
884	F	54.8	Low	52.3	Low	102 Å²	102	92.3 Å²	92.3	45%	0.447	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-44.9	173.8	-179.3	-95.7	0	0	0	111.2	W880 R881 Q882 T888	W880-F884 HydrophobicContact CH2-CD2 4.13Å; W880-F884 HydrophobicContact CH2-CG 4.39Å; W880-F884 HydrophobicContact CZ2-CD2 4.41Å; W880-F884 HydrophobicContact CZ3-CB 4.43Å; W880-F884 HydrophobicContact CZ3-CG 4.48Å; W880-F884 VanDerWaalsContact O-CB 3.31Å; W880-F884 WeakPolarHBondContact O-CB 3.28Å; W880-F884 PolarHBondContact O-N 2.82Å; R881-F884 PolarHBondContact O-N 3.21Å; Q882-F884 VanDerWaalsContact C-N 3.31Å; Q882-F884 PolarHBondContact O-N 2.58Å; F884-T888 VanDerWaalsContact O-CB 3.26Å; F884-T888 WeakPolarHBondContact O-CB 3.29Å; F884-T888 PolarHBondContact O-N 2.88Å; F884-T888 PolarHBondContact O-OG1 3.01Å
885	I	50.3	Low	52.9	Low	59 Å²	59	91.3 Å²	91.3	30%	0.303	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-47.7	177.2	-67	164.2	0	0	0	110.8	R881 Q882 N887 T888 F889	R881-I885 VanDerWaalsContact O-CG1 3.29Å; R881-I885 WeakPolarHBondContact O-CG1 3.44Å; R881-I885 PolarHBondContact O-N 3.06Å; Q882-I885 PolarHBondContact O-N 3.34Å; I885-N887 PolarHBondContact O-N 3.17Å; I885-T888 PolarHBondContact O-N 3.3Å; I885-F889 VanDerWaalsContact O-CB 3.32Å; I885-F889 WeakPolarHBondContact O-CB 3.31Å; I885-F889 PolarHBondContact O-N 3.29Å
886	E	53.9	Low	53.2	Low	70 Å²	70	89.1 Å²	89.1	33%	0.327	43%	0.431	S	S	.	.	H	α-helix	trans	-55.2	-51.4	177	-74.3	170.3	175.4	0	0	111.6	Q882 T888 F889 T890	Q882-E886 HydrophobicContact CG-CG 4.39Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.33Å; Q882-E886 PolarHBondContact NE2-OE1 3.38Å; Q882-E886 WeakPolarHBondContact O-CB 3.33Å; Q882-E886 WeakPolarHBondContact O-CG 3.45Å; Q882-E886 PolarHBondContact O-N 2.95Å; E886-T888 PolarHBondContact O-N 3.25Å; E886-F889 PolarHBondContact O-N 3.13Å; E886-T890 WeakPolarHBondContact O-CB 3.32Å; E886-T890 PolarHBondContact O-N 2.95Å; E886-T890 PolarHBondContact O-OG1 2.86Å
887	N	52.2	Low	53.5	Low	99 Å²	99	88.3 Å²	88.3	53%	0.529	43%	0.427	S	S	.	.	H	α-helix	trans	-66.2	-37.7	179.5	-73.8	-50.6	0	0	0	112.9	K883 I885 T891	K883-N887 WeakPolarHBondContact O-CB 3.43Å; K883-N887 PolarHBondContact O-N 3.27Å; K883-N887 VanDerWaalsContact O-N 3.09Å; K883-N887 PolarHBondContact O-ND2 2.78Å; I885-N887 PolarHBondContact O-N 3.17Å; N887-T891 WeakPolarHBondContact O-CB 3.37Å; N887-T891 PolarHBondContact O-N 3.19Å; N887-T891 PolarHBondContact O-OG1 3.29Å
888	T	54.3	Low	53.5	Low	57 Å²	57	91.1 Å²	91.1	35%	0.35	44%	0.438	S	S	.	.	H	α-helix	trans	-67.9	-42.4	178.3	-59.4	0	0	0	0	111	F884 I885 E886 T891 Y892	F884-T888 VanDerWaalsContact O-CB 3.26Å; F884-T888 WeakPolarHBondContact O-CB 3.29Å; F884-T888 PolarHBondContact O-N 2.88Å; F884-T888 PolarHBondContact O-OG1 3.01Å; I885-T888 PolarHBondContact O-N 3.3Å; E886-T888 PolarHBondContact O-N 3.25Å; T888-T891 PolarHBondContact O-N 3.47Å; T888-Y892 HydrophobicContact CG2-CD2 4.38Å; T888-Y892 PolarHBondContact O-N 2.99Å
889	F	55.7	Low	53.7	Low	95 Å²	95	92.4 Å²	92.4	42%	0.417	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-49	173.6	-178.5	-91.8	0	0	0	111.5	I885 E886 T891 Y892 F893 W1098	I885-F889 VanDerWaalsContact O-CB 3.32Å; I885-F889 WeakPolarHBondContact O-CB 3.31Å; I885-F889 PolarHBondContact O-N 3.29Å; E886-F889 PolarHBondContact O-N 3.13Å; F889-T891 VanDerWaalsContact C-N 3.28Å; F889-T891 PolarHBondContact O-N 3.21Å; F889-Y892 PolarHBondContact O-N 3.24Å; F889-F893 HydrophobicContact CE1-CB 4.45Å; F889-F893 VanDerWaalsContact O-CB 3.3Å; F889-F893 WeakPolarHBondContact O-CB 3.45Å; F889-F893 PolarHBondContact O-N 2.84Å; F889-W1098 HydrophobicContact CD1-CZ3 4.47Å; F889-W1098 HydrophobicContact CG-CZ3 4.46Å
890	T	54.7	Low	53.3	Low	63 Å²	63	92.5 Å²	92.5	39%	0.387	43%	0.432	S	S	.	.	H	α-helix	trans	-58.2	-40.2	176.5	-61.7	0	0	0	0	111.9	E886 N894	E886-T890 WeakPolarHBondContact O-CB 3.32Å; E886-T890 PolarHBondContact O-N 2.95Å; E886-T890 PolarHBondContact O-OG1 2.86Å; T890-N894 WeakPolarHBondContact O-CB 3.38Å; T890-N894 PolarHBondContact O-N 2.9Å; T890-N894 PolarHBondContact O-ND2 2.82Å
891	T	53.7	Low	52.7	Low	93 Å²	93	89.4 Å²	89.4	57%	0.571	43%	0.428	S	S	*	.	H	α-helix	trans	-64.8	-47.3	177.6	-56.2	0	0	0	0	111.6	N887 T888 F889 N894 Q895	N887-T891 WeakPolarHBondContact O-CB 3.37Å; N887-T891 PolarHBondContact O-N 3.19Å; N887-T891 PolarHBondContact O-OG1 3.29Å; T888-T891 PolarHBondContact O-N 3.47Å; F889-T891 VanDerWaalsContact C-N 3.28Å; F889-T891 PolarHBondContact O-N 3.21Å; T891-N894 PolarHBondContact O-N 3.5Å; T891-Q895 PolarHBondContact O-N 2.97Å
892	Y	51.8	Low	52.1	Low	135 Å²	135	90 Å²	90	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-41.9	176.4	-104.1	-78.9	0	0	0	112.7	T888 F889 N894 Q895 I896	T888-Y892 HydrophobicContact CG2-CD2 4.38Å; T888-Y892 PolarHBondContact O-N 2.99Å; F889-Y892 PolarHBondContact O-N 3.24Å; Y892-N894 PolarHBondContact O-N 2.74Å; Y892-Q895 PolarHBondContact O-N 3.31Å; Y892-I896 WeakPolarHBondContact O-CG1 3.11Å; Y892-I896 PolarHBondContact O-N 2.76Å
893	F	57.7	Low	51.6	Low	88 Å²	88	91.1 Å²	91.1	39%	0.386	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-42.8	178.9	-172.5	-102.1	0	0	0	111.5	F889 I896 L897	F889-F893 HydrophobicContact CE1-CB 4.45Å; F889-F893 VanDerWaalsContact O-CB 3.3Å; F889-F893 WeakPolarHBondContact O-CB 3.45Å; F889-F893 PolarHBondContact O-N 2.84Å; F893-I896 PolarHBondContact O-N 3.33Å; F893-L897 HydrophobicContact CD1-CD1 3.85Å; F893-L897 HydrophobicContact CD1-CG 4.48Å; F893-L897 HydrophobicContact CE1-CD1 3.55Å; F893-L897 HydrophobicContact CE1-CG 4.26Å; F893-L897 HydrophobicContact CZ-CD1 4.27Å; F893-L897 WeakPolarHBondContact O-CG 3.49Å; F893-L897 PolarHBondContact O-N 3.38Å
894	N	53.3	Low	50.9	Low	73 Å²	73	88.4 Å²	88.4	39%	0.39	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-36	175.1	-70.7	-15.8	0	0	0	112.5	T890 T891 Y892 L897 Q898	T890-N894 WeakPolarHBondContact O-CB 3.38Å; T890-N894 PolarHBondContact O-N 2.9Å; T890-N894 PolarHBondContact O-ND2 2.82Å; T891-N894 PolarHBondContact O-N 3.5Å; Y892-N894 PolarHBondContact O-N 2.74Å; N894-L897 PolarHBondContact O-N 3.32Å; N894-Q898 WeakPolarHBondContact O-CG 3.42Å; N894-Q898 PolarHBondContact O-N 3.29Å
895	Q	56.9	Low	50	Low	78 Å²	78	88.8 Å²	88.8	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-65	-44.8	173	-176.1	177.1	-25.5	0	0	111.4	T891 Y892 L897 Q898 E899	T891-Q895 PolarHBondContact O-N 2.97Å; Y892-Q895 PolarHBondContact O-N 3.31Å; Q895-L897 VanDerWaalsContact C-N 3.3Å; Q895-L897 PolarHBondContact O-N 2.84Å; Q895-Q898 PolarHBondContact O-N 3.29Å; Q895-Q898 VanDerWaalsContact O-N 3.14Å; Q895-E899 HydrophobicContact CG-CG 4.49Å; Q895-E899 WeakPolarHBondContact CG-OE1 3.42Å; Q895-E899 PolarHBondContact NE2-OE1 3.02Å; Q895-E899 WeakPolarHBondContact O-CG 3.41Å; Q895-E899 PolarHBondContact O-N 2.85Å
896	I	58.4	Low	49.3	Very low	83 Å²	83	92.2 Å²	92.2	43%	0.426	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-40.3	176.3	-68.3	164.3	0	0	0	110.8	Y892 F893 E899 Y900	Y892-I896 WeakPolarHBondContact O-CG1 3.11Å; Y892-I896 PolarHBondContact O-N 2.76Å; F893-I896 PolarHBondContact O-N 3.33Å; I896-E899 PolarHBondContact O-N 3.04Å; I896-Y900 VanDerWaalsContact O-CB 3.24Å; I896-Y900 WeakPolarHBondContact O-CB 3.41Å; I896-Y900 PolarHBondContact O-N 3Å
897	L	51.6	Low	48.6	Very low	66 Å²	66	95.1 Å²	95.1	35%	0.346	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-38.6	174.1	-75.6	174.5	0	0	0	113.1	F893 N894 Q895 Y900 N901	F893-L897 HydrophobicContact CD1-CD1 3.85Å; F893-L897 HydrophobicContact CD1-CG 4.48Å; F893-L897 HydrophobicContact CE1-CD1 3.55Å; F893-L897 HydrophobicContact CE1-CG 4.26Å; F893-L897 HydrophobicContact CZ-CD1 4.27Å; F893-L897 WeakPolarHBondContact O-CG 3.49Å; F893-L897 PolarHBondContact O-N 3.38Å; N894-L897 PolarHBondContact O-N 3.32Å; Q895-L897 VanDerWaalsContact C-N 3.3Å; Q895-L897 PolarHBondContact O-N 2.84Å; L897-Y900 PolarHBondContact O-N 2.83Å; L897-N901 WeakPolarHBondContact O-CB 3.4Å; L897-N901 PolarHBondContact O-N 3.11Å
898	Q	47	Very low	47.7	Very low	142 Å²	142	98.3 Å²	98.3	66%	0.664	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-46.2	174.5	-77.2	-174.1	-14.4	0	0	111.8	N894 Q895 Y900 N901 M902	N894-Q898 WeakPolarHBondContact O-CG 3.42Å; N894-Q898 PolarHBondContact O-N 3.29Å; Q895-Q898 PolarHBondContact O-N 3.29Å; Q895-Q898 VanDerWaalsContact O-N 3.14Å; Q898-Y900 VanDerWaalsContact C-N 3.3Å; Q898-Y900 PolarHBondContact O-N 3.04Å; Q898-N901 PolarHBondContact O-N 3.48Å; Q898-M902 WeakPolarHBondContact O-CG 3.28Å; Q898-M902 PolarHBondContact O-N 2.93Å
899	E	52.7	Low	46.6	Very low	80 Å²	80	102.4 Å²	102.4	37%	0.374	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-38.7	175.9	-70.3	175	-169.8	0	0	111.1	Q895 I896 N903	Q895-E899 HydrophobicContact CG-CG 4.49Å; Q895-E899 WeakPolarHBondContact CG-OE1 3.42Å; Q895-E899 PolarHBondContact NE2-OE1 3.02Å; Q895-E899 WeakPolarHBondContact O-CG 3.41Å; Q895-E899 PolarHBondContact O-N 2.85Å; I896-E899 PolarHBondContact O-N 3.04Å; E899-N903 WeakPolarHBondContact O-CB 3.42Å; E899-N903 PolarHBondContact O-N 3.11Å; E899-N903 VanDerWaalsContact O-N 3.16Å; E899-N903 PolarHBondContact O-ND2 2.59Å
900	Y	44.6	Very low	45.3	Very low	100 Å²	100	101.4 Å²	101.4	39%	0.392	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-43.6	174.6	-171.2	-93.2	0	0	0	113	I896 L897 Q898 N904 L957	I896-Y900 VanDerWaalsContact O-CB 3.24Å; I896-Y900 WeakPolarHBondContact O-CB 3.41Å; I896-Y900 PolarHBondContact O-N 3Å; L897-Y900 PolarHBondContact O-N 2.83Å; Q898-Y900 VanDerWaalsContact C-N 3.3Å; Q898-Y900 PolarHBondContact O-N 3.04Å; Y900-N904 WeakPolarHBondContact CD1-ND2 3.41Å; Y900-N904 VanDerWaalsContact CE1-ND2 3.3Å; Y900-N904 WeakPolarHBondContact CE1-ND2 3.4Å; Y900-N904 PolarHBondContact O-N 2.68Å; Y900-N904 PolarHBondContact O-ND2 2.9Å; Y900-L957 HydrophobicContact CE2-CD2 3.82Å
901	N	42.9	Very low	44.2	Very low	96 Å²	96	107.5 Å²	107.5	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-69.8	-39.6	179.8	-77.1	-10.1	0	0	0	112.3	L897 Q898 N904 L905	L897-N901 WeakPolarHBondContact O-CB 3.4Å; L897-N901 PolarHBondContact O-N 3.11Å; Q898-N901 PolarHBondContact O-N 3.48Å; N901-N904 PolarHBondContact O-N 2.78Å; N901-L905 PolarHBondContact O-N 2.89Å
902	M	38.8	Very low	42.9	Very low	120 Å²	120	108.2 Å²	108.2	59%	0.591	56%	0.56	S	S	*	*	H	α-helix	trans	-60.4	-47.8	174.4	-71.2	-60.5	-58.5	0	0	111.5	Q898 N904 L905	Q898-M902 WeakPolarHBondContact O-CG 3.28Å; Q898-M902 PolarHBondContact O-N 2.93Å; M902-N904 PolarHBondContact O-N 3.12Å; M902-N904 VanDerWaalsContact O-N 3.15Å; M902-L905 PolarHBondContact O-N 3.44Å
903	N	42.2	Very low	41.7	Very low	104 Å²	104	111.7 Å²	111.7	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-63.9	-18.8	178.7	-75.5	-51.1	0	0	0	113.9	E899 N907	E899-N903 WeakPolarHBondContact O-CB 3.42Å; E899-N903 PolarHBondContact O-N 3.11Å; E899-N903 VanDerWaalsContact O-N 3.16Å; E899-N903 PolarHBondContact O-ND2 2.59Å; N903-N907 PolarHBondContact O-ND2 3.31Å
904	N	40.6	Very low	40.2	Very low	54 Å²	54	115.6 Å²	115.6	29%	0.289	60%	0.595	S	S	.	*	H	α-helix	trans	-90.2	-27.1	175.3	-78.7	-64	0	0	0	113.7	Y900 N901 M902 N907	Y900-N904 WeakPolarHBondContact CD1-ND2 3.41Å; Y900-N904 VanDerWaalsContact CE1-ND2 3.3Å; Y900-N904 WeakPolarHBondContact CE1-ND2 3.4Å; Y900-N904 PolarHBondContact O-N 2.68Å; Y900-N904 PolarHBondContact O-ND2 2.9Å; N901-N904 PolarHBondContact O-N 2.78Å; M902-N904 PolarHBondContact O-N 3.12Å; M902-N904 VanDerWaalsContact O-N 3.15Å; N904-N907 PolarHBondContact O-N 3.11Å
905	L	36	Very low	38.8	Very low	110 Å²	110	118.6 Å²	118.6	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-68.6	-39.1	176.9	-104.4	75.6	0	0	0	112.9	N901 M902 N907 Q908 N909	N901-L905 PolarHBondContact O-N 2.89Å; M902-L905 PolarHBondContact O-N 3.44Å; L905-N907 PolarHBondContact O-N 3.47Å; L905-Q908 PolarHBondContact O-N 3.49Å; L905-N909 PolarHBondContact O-ND2 2.88Å; L905-N909 VanDerWaalsContact O-ND2 3.15Å
906	D	35.6	Very low	37.3	Very low	131 Å²	131	119.3 Å²	119.3	70%	0.701	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-18.6	179.3	-74.1	-22.7	0	0	0	112.8
907	N	39.6	Very low	35.8	Very low	131 Å²	131	121.8 Å²	121.8	70%	0.701	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	4.3	179.1	-77.6	-69.4	0	0	0	114.5	N903 N904 L905	N903-N907 PolarHBondContact O-ND2 3.31Å; N904-N907 PolarHBondContact O-N 3.11Å; L905-N907 PolarHBondContact O-N 3.47Å
908	Q	33.4	Very low	34.6	Very low	166 Å²	166	124.2 Å²	124.2	78%	0.776	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-15.1	177.5	-78.4	-80.7	-52.2	0	0	113.9	L905 G910	L905-Q908 PolarHBondContact O-N 3.49Å; Q908-G910 VanDerWaalsContact C-N 3.34Å; Q908-G910 PolarHBondContact O-N 3.22Å
909	N	31.1	Very low	33.7	Very low	142 Å²	142	124.6 Å²	124.6	76%	0.759	68%	0.678	S	S	*	*			trans	-97.7	43.5	-178.1	-69.4	-74.9	0	0	0	112.6	L905	L905-N909 PolarHBondContact O-ND2 2.88Å; L905-N909 VanDerWaalsContact O-ND2 3.15Å
910	G	29.1	Very low	32.6	Very low	75 Å²	75	126 Å²	126	77%	0.773	70%	0.697	S	S	*	*			trans	-104.5	-2.7	-170.4	0	0	0	0	0	116.8	Q908	Q908-G910 VanDerWaalsContact C-N 3.34Å; Q908-G910 PolarHBondContact O-N 3.22Å
911	E	30.3	Very low	31.8	Very low	190 Å²	190	128.8 Å²	128.8	89%	0.888	72%	0.719	S	S	*	*	S	Bend	trans	-106	155.4	178.5	-70.4	-157.1	145.2	0	0	113.7	F913	E911-F913 PolarHBondContact O-N 2.84Å
912	S	26.5	Very low	31.2	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	73%	0.729	S	S	*	*			trans	-72.4	120.2	-157.9	57.9	0	0	0	0	115.4
913	F	26.7	Very low	30.7	Very low	208 Å²	208	133.9 Å²	133.9	91%	0.912	74%	0.742	S	S	*	*			trans	-109.6	94.1	151.2	-96.9	-85.4	0	0	0	111.3	E911	E911-F913 PolarHBondContact O-N 2.84Å
914	K	26.6	Very low	30	Very low	170 Å²	170	134 Å²	134	74%	0.739	75%	0.751	S	S	*	*			trans	-72.1	131	159.3	-73.3	179	178.7	173.6	0	108.4	S916	K914-S916 PolarHBondContact O-N 3.06Å
915	P	25.1	Very low	29.4	Very low	136 Å²	136	138.6 Å²	138.6	88%	0.883	77%	0.774	S	S	*	*			trans	-74.9	68.4	159.5	32.7	-33.5	0	0	0	109.3
916	S	25.3	Very low	29.2	Very low	92 Å²	92	142.2 Å²	142.2	64%	0.643	79%	0.788	S	S	*	*			trans	-74.2	127.1	166.6	48.3	0	0	0	0	109.1	K914 S918	K914-S916 PolarHBondContact O-N 3.06Å; S916-S918 PolarHBondContact O-N 2.99Å
917	T	26.4	Very low	29.1	Very low	135 Å²	135	141.8 Å²	141.8	83%	0.828	79%	0.792	S	S	*	*			trans	-50.4	107.7	-177.6	14.9	0	0	0	0	112.8	I919	T917-I919 PolarHBondContact O-N 3.04Å; T917-I919 VanDerWaalsContact O-N 3.12Å
918	S	27	Very low	28.7	Very low	117 Å²	117	141.1 Å²	141.1	82%	0.818	80%	0.798	S	S	*	*			trans	-72.9	98	168.3	55.6	0	0	0	0	109.6	S916 S920	S916-S918 PolarHBondContact O-N 2.99Å; S918-S920 PolarHBondContact O-N 2.98Å
919	I	27.5	Very low	28.7	Very low	150 Å²	150	138.1 Å²	138.1	77%	0.769	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.1	172.2	-64.8	172.7	0	0	0	108.6	T917	T917-I919 PolarHBondContact O-N 3.04Å; T917-I919 VanDerWaalsContact O-N 3.12Å
920	S	29.6	Very low	28.8	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.4	134.6	168.3	44.4	0	0	0	0	110.6	S918	S918-S920 PolarHBondContact O-N 2.98Å
921	N	27.1	Very low	29	Very low	158 Å²	158	139.1 Å²	139.1	85%	0.845	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.5	139.7	-170.8	-68.3	-49.2	0	0	0	113.9
922	S	30.1	Very low	29	Very low	105 Å²	105	135 Å²	135	73%	0.734	79%	0.788	S	S	*	*			trans	-158.1	91.8	152.1	48.1	0	0	0	0	115.2
923	Y	28.8	Very low	29.3	Very low	219 Å²	219	134.4 Å²	134.4	86%	0.859	78%	0.784	S	S	*	*			trans	64.9	149.4	145.1	-71.3	-82.4	0	0	0	124.3
924	S	28.9	Very low	29.4	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	78%	0.778	S	S	*	*			trans	61.9	118.2	175.8	60.2	0	0	0	0	116.4
925	I	27.5	Very low	29.7	Very low	150 Å²	150	127.9 Å²	127.9	77%	0.769	78%	0.78	S	S	*	*			cis	78.5	98.3	26.1	-44.8	167.8	0	0	0	114.8
926	Q	31.1	Very low	29.8	Very low	186 Å²	186	127.3 Å²	127.3	87%	0.869	78%	0.775	S	S	*	*				-172.1	166.2	115.8	-96.3	-148.8	-21.7	0	0	112.3
927	P	33.8	Very low	30.1	Very low	122 Å²	122	131 Å²	131	79%	0.792	79%	0.786	S	S	*	*			trans	-111.7	-171.4	-146.6	43	-37.8	0	0	0	117.8
928	S	30.5	Very low	30.3	Very low	116 Å²	116	130 Å²	130	81%	0.811	79%	0.785	S	S	*	*			trans	-95.1	159.3	-164.4	57	0	0	0	0	117.7
929	S	33.7	Very low	30.5	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	78%	0.784	S	S	*	*			trans	-158.5	125.5	158.9	58.8	0	0	0	0	114.8
930	S	32.7	Very low	30.7	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	79%	0.787	S	S	*	*			trans	57.7	150.9	151.1	54.8	0	0	0	0	120
931	T	33.2	Very low	30.6	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	79%	0.79	S	S	*	*			cis	-157.4	170.4	9.1	-7.9	0	0	0	0	112.2
932	S	31	Very low	30.8	Very low	103 Å²	103	126.2 Å²	126.2	72%	0.72	78%	0.784	S	S	*	*			trans	-19.1	158.5	162.2	57.9	0	0	0	0	120.2
933	S	33.6	Very low	30.8	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	79%	0.785	S	S	*	*			cis	-167.5	137.5	44.7	58.9	0	0	0	0	118.6
934	T	28.7	Very low	30.7	Very low	128 Å²	128	121 Å²	121	79%	0.785	78%	0.779	S	S	*	*			trans	37.8	124.1	139	59.7	0	0	0	0	124.3
935	S	31.4	Very low	30.7	Very low	113 Å²	113	122.3 Å²	122.3	79%	0.79	78%	0.782	S	S	*	*				160.1	160.7	123.5	49	0	0	0	0	112
936	T	28.4	Very low	30.7	Very low	125 Å²	125	120.8 Å²	120.8	77%	0.767	79%	0.785	S	S	*	*				-163.8	149.8	-64.2	17.1	0	0	0	0	109.5
937	L	31.3	Very low	30.5	Very low	169 Å²	169	116.9 Å²	116.9	89%	0.885	78%	0.778	S	S	*	*			trans	70.7	166.9	-178.3	-49.6	173.5	0	0	0	113.9
938	S	31.2	Very low	30.2	Very low	113 Å²	113	119.8 Å²	119.8	79%	0.79	79%	0.786	S	S	*	*			cis	-144.5	169.5	9.8	-41.2	0	0	0	0	113.6
939	S	29.7	Very low	30.1	Very low	115 Å²	115	119.1 Å²	119.1	80%	0.804	78%	0.781	S	S	*	*			trans	-84.1	175.3	165.6	55.6	0	0	0	0	112.2
940	S	31.6	Very low	29.6	Very low	120 Å²	120	119.8 Å²	119.8	84%	0.839	79%	0.786	S	S	*	*			cis	-158.2	-179.3	27.7	50.7	0	0	0	0	113.9
941	S	28.1	Very low	29.4	Very low	117 Å²	117	120 Å²	120	82%	0.818	79%	0.785	S	S	*	*			trans	-140.4	144.6	-162.2	57.4	0	0	0	0	116.6
942	S	31.7	Very low	29	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	78%	0.784	S	S	*	*			trans	-167.9	109.4	160	53.8	0	0	0	0	109.1
943	S	29.3	Very low	28.6	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	78%	0.784	S	S	*	*				59.9	136.6	96.8	70.3	0	0	0	0	114.7
944	C	27.8	Very low	28.3	Very low	107 Å²	107	123.7 Å²	123.7	72%	0.723	79%	0.785	S	S	*	*			cis	-146	157.3	35.3	-58.5	0	0	0	0	114.8
945	T	27.6	Very low	28	Very low	134 Å²	134	123 Å²	123	82%	0.822	79%	0.786	S	S	*	*			trans	29.9	137.1	142.8	60.5	0	0	0	0	120.8
946	S	29	Very low	27.8	Very low	118 Å²	118	123.4 Å²	123.4	83%	0.825	79%	0.788	S	S	*	*			cis	-155.7	168.2	40.9	52.8	0	0	0	0	114.7
947	S	25.8	Very low	27.6	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	78%	0.777	S	S	*	*			trans	-65.9	145.6	-172.6	49.7	0	0	0	0	116.8
948	L	29	Very low	27.3	Very low	183 Å²	183	121.1 Å²	121.1	96%	0.958	77%	0.771	S	S	*	*			trans	-124.5	138.8	140.3	-126.3	79.4	0	0	0	108
949	S	28.3	Very low	27.2	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	77%	0.769	S	S	*	*			trans	-129.2	136.8	-167	53.6	0	0	0	0	113.2
950	S	23.1	Very low	27.2	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	76%	0.761	S	S	*	*			trans	-70.4	144	168	-47.9	0	0	0	0	111.9
951	P	28.5	Very low	26.8	Very low	114 Å²	114	125.4 Å²	125.4	74%	0.74	75%	0.753	S	S	*	*				-128.7	153.6	119	38.4	-31.4	0	0	0	110.1
952	Q	23.2	Very low	26.8	Very low	167 Å²	167	129.6 Å²	129.6	78%	0.78	75%	0.752	S	S	*	*			cis	73.3	120.7	35.4	-78.5	-138.1	-38.4	0	0	116.7
953	I	24.2	Very low	26.6	Very low	141 Å²	141	130.1 Å²	130.1	72%	0.723	75%	0.753	S	S	*	*			trans	85.1	144.3	149.8	-61.3	158.9	0	0	0	118.8
954	S	26	Very low	26.4	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	75%	0.75	S	S	*	*			trans	64.3	98.3	161.2	58.1	0	0	0	0	120.9
955	S	23.2	Very low	26.3	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	75%	0.754	S	S	*	*				-17.2	133.4	129.6	54.6	0	0	0	0	118.2
956	S	27.5	Very low	26.1	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	74%	0.741	S	S	*	*			trans	-161.4	134.4	131.6	55.3	0	0	0	0	110.6
957	L	24	Very low	26.1	Very low	104 Å²	104	134 Å²	134	55%	0.545	73%	0.733	S	S	.	*			trans	-93.7	137.5	173.8	-60.1	101.9	0	0	0	110.1	Y900	Y900-L957 HydrophobicContact CE2-CD2 3.82Å
958	L	25.6	Very low	26	Very low	142 Å²	142	135.6 Å²	135.6	74%	0.743	73%	0.729	S	S	*	*			trans	-168.6	148.2	155	-111.1	159.7	0	0	0	111.8
959	Y	28.3	Very low	25.9	Very low	191 Å²	191	132.6 Å²	132.6	75%	0.749	72%	0.718	S	S	*	*			trans	67.2	142.7	175.8	-55.3	-67	0	0	0	116.7
960	N	29.2	Very low	25.9	Very low	122 Å²	122	135.7 Å²	135.7	65%	0.652	72%	0.721	S	S	*	*			cis	-146.2	138.7	0.7	-127.1	-28.9	0	0	0	111.4
961	L	23.9	Very low	25.9	Very low	125 Å²	125	133.4 Å²	133.4	65%	0.654	71%	0.705	S	S	*	*			trans	-76.3	136.1	169.2	-74.8	80.7	0	0	0	109.4
962	Y	26.9	Very low	25.9	Very low	206 Å²	206	134.3 Å²	134.3	81%	0.808	70%	0.704	S	S	*	*			trans	-128.4	122	162.5	-99	-85.4	0	0	0	109.6
963	P	28.4	Very low	26.1	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	70%	0.703	S	S	*	*			trans	-71.3	136.5	178	28.9	-33.6	0	0	0	110.9	K965	P963-K965 PolarHBondContact O-N 2.89Å
964	L	24.3	Very low	26.1	Very low	135 Å²	135	134 Å²	134	71%	0.707	71%	0.709	S	S	*	*			trans	-67.1	97.4	176.9	-74.5	167.1	0	0	0	110.8	L966	L964-L966 PolarHBondContact O-N 3.29Å
965	K	26.4	Very low	26	Very low	186 Å²	186	136.2 Å²	136.2	81%	0.809	71%	0.712	S	S	*	*			trans	-61.2	128.5	169.1	-84.5	-164.6	170.7	-169.1	0	110.7	P963 N967	P963-K965 PolarHBondContact O-N 2.89Å; K965-N967 PolarHBondContact O-N 2.92Å
966	L	24.5	Very low	26.2	Very low	106 Å²	106	137 Å²	137	56%	0.555	71%	0.707	S	S	*	*			trans	-70.5	120.8	163.4	-78.6	82.9	0	0	0	108.9	L964	L964-L966 PolarHBondContact O-N 3.29Å
967	N	27.4	Very low	26.1	Very low	123 Å²	123	139.5 Å²	139.5	66%	0.658	71%	0.705	S	S	*	*			trans	-101.3	114.2	144.2	-72.5	3.5	0	0	0	106.6	K965	K965-N967 PolarHBondContact O-N 2.92Å
968	H	24.9	Very low	26.1	Very low	137 Å²	137	139.9 Å²	139.9	63%	0.634	71%	0.707	S	S	*	*			trans	-96.3	179.2	146.9	-95.2	-63.7	0	0	0	107.9
969	T	26.7	Very low	26.2	Very low	119 Å²	119	141.6 Å²	141.6	73%	0.73	71%	0.711	S	S	*	*			trans	69.3	142.7	-167.9	82.6	0	0	0	0	113
970	H	27.5	Very low	26.1	Very low	167 Å²	167	143.6 Å²	143.6	77%	0.773	72%	0.719	S	S	*	*			cis	-129.6	137.5	-3.4	-97.1	-70.2	0	0	0	111
971	S	24	Very low	25.9	Very low	70 Å²	70	144.9 Å²	144.9	49%	0.49	73%	0.726	S	S	.	*			trans	-83.1	122.8	144.7	48.1	0	0	0	0	108.3
972	N	27.1	Very low	26	Very low	134 Å²	134	146.5 Å²	146.5	72%	0.717	73%	0.734	S	S	*	*			trans	176.7	150.9	146.9	-98.7	-33.5	0	0	0	114.4
973	L	27.6	Very low	26.1	Very low	146 Å²	146	144.9 Å²	144.9	76%	0.764	74%	0.739	S	S	*	*			trans	56.9	117	159.8	-85.9	73.3	0	0	0	120.2
974	N	24	Very low	26	Very low	155 Å²	155	149.5 Å²	149.5	83%	0.829	75%	0.748	S	S	*	*			trans	-64.1	142.5	146.6	-56.4	-47.7	0	0	0	110
975	L	25.1	Very low	26.2	Very low	144 Å²	144	149.7 Å²	149.7	75%	0.754	75%	0.748	S	S	*	*			trans	-174.8	131.3	140.1	-108.5	157.6	0	0	0	111.2
976	L	26.8	Very low	26.3	Very low	132 Å²	132	147.1 Å²	147.1	69%	0.691	74%	0.743	S	S	*	*			trans	60.4	133.6	175.1	-59.3	127.9	0	0	0	115.1	D978	L976-D978 HydrophobicContact CD2-CB 4.07Å
977	Q	25.2	Very low	26.6	Very low	171 Å²	171	151.4 Å²	151.4	80%	0.799	76%	0.76	S	S	*	*			cis	51.7	54.5	2.5	-163	59.6	60.3	0	0	114.4
978	D	24.4	Very low	26.6	Very low	112 Å²	112	152 Å²	152	60%	0.599	76%	0.763	S	S	*	*			trans	171.8	106.2	135.7	-85.9	-12.9	0	0	0	110.4	L976	L976-D978 HydrophobicContact CD2-CB 4.07Å
979	H	28.7	Very low	26.9	Very low	179 Å²	179	152 Å²	152	83%	0.829	77%	0.768	S	S	*	*			trans	174.1	83.4	144.8	-107.3	-79.3	0	0	0	110.2
980	Y	25.8	Very low	27.2	Very low	232 Å²	232	152 Å²	152	91%	0.91	76%	0.764	S	S	*	*			trans	-120.7	62.6	169.4	-133	-73.3	0	0	0	110.6
981	N	24.5	Very low	27.3	Very low	150 Å²	150	152 Å²	152	80%	0.802	76%	0.763	S	S	*	*			trans	-168.7	142.1	164.3	-95.9	-37.9	0	0	0	110.4
982	L	26.5	Very low	27.5	Very low	158 Å²	158	160.1 Å²	160.1	83%	0.827	78%	0.783	S	S	*	*			trans	103.1	86.7	179.9	-65.9	167.1	0	0	0	116.5
983	L	28.8	Very low	27.5	Very low	172 Å²	172	161 Å²	161	90%	0.901	79%	0.788	S	S	*	*			trans	-179.9	83.4	137.1	-101.6	160	0	0	0	110.2
984	K	25.3	Very low	27.5	Very low	212 Å²	212	161.4 Å²	161.4	92%	0.922	79%	0.791	S	S	*	*			trans	-153.7	53.2	168.2	-141.1	176.5	-173.2	-178.1	0	113.2
985	I	28.7	Very low	27.7	Very low	138 Å²	138	159.2 Å²	159.2	71%	0.708	79%	0.785	S	S	*	*			trans	-147.8	126	177	-64.9	179.6	0	0	0	103.4
986	N	28.2	Very low	27.8	Very low	132 Å²	132	157.6 Å²	157.6	71%	0.706	78%	0.783	S	S	*	*			cis	-140	160.4	-7.3	-86.3	-24.4	0	0	0	107.9
987	E	32	Very low	27.8	Very low	196 Å²	196	161.7 Å²	161.7	92%	0.916	79%	0.791	S	S	*	*			trans	-171.4	95.2	130.8	-109.4	171.7	-160.1	0	0	110.2
988	D	27	Very low	27.8	Very low	137 Å²	137	157.8 Å²	157.8	73%	0.733	78%	0.783	S	S	*	*			trans	-72.4	140.5	162	-68.1	-65.2	0	0	0	109.4
989	N	31.8	Very low	28	Very low	136 Å²	136	158.3 Å²	158.3	73%	0.727	78%	0.784	S	S	*	*				-177	117.9	116.1	-98.4	-72.2	0	0	0	113.1
990	N	31.7	Very low	28	Very low	120 Å²	120	157 Å²	157	64%	0.642	78%	0.783	S	S	*	*			trans	62.1	109.3	140	-58.8	-28.2	0	0	0	122.1
991	H	30.9	Very low	28.4	Very low	166 Å²	166	152 Å²	152	77%	0.769	77%	0.768	S	S	*	*				56.6	106.1	125.1	-60.4	-53.2	0	0	0	120
992	R	28.7	Very low	28.6	Very low	241 Å²	241	149.6 Å²	149.6	91%	0.909	76%	0.755	S	S	*	*				-164.8	163.8	88	-101.9	170.9	-178.1	178.7	0.6	112.1
993	N	26.3	Very low	28.8	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	74%	0.744	S	S	*	*			trans	-84.6	134.8	178.8	-47.1	-52	0	0	0	110
994	D	28	Very low	29	Very low	154 Å²	154	145.1 Å²	145.1	82%	0.824	73%	0.731	S	S	*	*			trans	-172.2	150.7	134.4	-93.8	-29.8	0	0	0	110.4	P996	D994-P996 WeakPolarHBondContact O-CD 3.46Å
995	P	26.6	Very low	29.2	Very low	109 Å²	109	138.5 Å²	138.5	71%	0.708	71%	0.705	S	S	*	*			trans	-109.3	109.8	-172.9	36.7	-28.4	0	0	0	115.3
996	P	28.5	Very low	29.4	Very low	110 Å²	110	138 Å²	138	71%	0.714	70%	0.7	S	S	*	*			trans	-91	133	159.8	33.4	-28.4	0	0	0	109.8	D994	D994-P996 WeakPolarHBondContact O-CD 3.46Å
997	Y	26.9	Very low	29.4	Very low	217 Å²	217	137.9 Å²	137.9	85%	0.851	70%	0.699	S	S	*	*			cis	59	107.4	42.7	-81.5	-81.5	0	0	0	115.5
998	S	25.5	Very low	29.4	Very low	90 Å²	90	133 Å²	133	63%	0.629	68%	0.683	S	S	*	*			trans	40.5	100.4	153.1	-160.4	0	0	0	0	119.6
999	I	27.5	Very low	29.6	Very low	123 Å²	123	132.2 Å²	132.2	63%	0.631	68%	0.678	S	S	*	*			trans	-117.4	5	157.3	-55.7	-177.6	0	0	0	112	H1001	I999-H1001 PolarHBondContact O-N 3.48Å; I999-H1001 VanDerWaalsContact O-N 3.09Å
1000	N	29	Very low	29.5	Very low	150 Å²	150	129.4 Å²	129.4	80%	0.802	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	2	170.4	-78.9	9.1	0	0	0	114
1001	H	33.3	Very low	29.4	Very low	129 Å²	129	131.3 Å²	131.3	60%	0.597	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	7.1	-176.1	-148	-64.3	0	0	0	114.4	I999	I999-H1001 PolarHBondContact O-N 3.48Å; I999-H1001 VanDerWaalsContact O-N 3.09Å
1002	L	29.3	Very low	29.3	Very low	98 Å²	98	131 Å²	131	51%	0.513	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-48	178	-161	64.9	0	0	0	112.9	I1004 N1005 Q1006	L1002-I1004 VanDerWaalsContact C-N 3.3Å; L1002-I1004 PolarHBondContact O-N 2.99Å; L1002-N1005 PolarHBondContact O-N 3.42Å; L1002-N1005 VanDerWaalsContact O-N 3.11Å; L1002-Q1006 HydrophobicContact CG-CG 4.46Å; L1002-Q1006 PolarHBondContact O-N 3.48Å
1003	L	30.3	Very low	29.3	Very low	117 Å²	117	126.8 Å²	126.8	61%	0.613	68%	0.676	S	S	*	*	H	α-helix	trans	-62.1	-35.1	176.3	-92.8	121.1	0	0	0	113.2	N1005 L1007	L1003-N1005 VanDerWaalsContact C-N 3.25Å; L1003-N1005 PolarHBondContact O-N 2.79Å; L1003-L1007 PolarHBondContact O-N 2.83Å
1004	I	33.8	Very low	29.3	Very low	119 Å²	119	127 Å²	127	61%	0.61	68%	0.677	S	S	*	*	H	α-helix	trans	-71.4	-19.1	178.1	-63.7	179.5	0	0	0	112.1	L1002 T1008	L1002-I1004 VanDerWaalsContact C-N 3.3Å; L1002-I1004 PolarHBondContact O-N 2.99Å; I1004-T1008 WeakPolarHBondContact O-CB 3.42Å; I1004-T1008 PolarHBondContact O-OG1 2.82Å
1005	N	30.3	Very low	29.3	Very low	74 Å²	74	122.8 Å²	122.8	40%	0.396	67%	0.67	S	S	.	*	H	α-helix	trans	-104.1	-20.2	175.1	-88.1	-13.9	0	0	0	114.2	L1002 L1003 N1009	L1002-N1005 PolarHBondContact O-N 3.42Å; L1002-N1005 VanDerWaalsContact O-N 3.11Å; L1003-N1005 VanDerWaalsContact C-N 3.25Å; L1003-N1005 PolarHBondContact O-N 2.79Å; N1005-N1009 PolarHBondContact O-N 2.84Å; N1005-N1009 PolarHBondContact O-ND2 3.25Å
1006	Q	31.5	Very low	29.4	Very low	127 Å²	127	123.1 Å²	123.1	59%	0.593	67%	0.671	S	S	*	*	H	α-helix	trans	-80.9	-32.5	174.8	-74.7	-176.2	-30.1	0	0	112.9	L1002	L1002-Q1006 HydrophobicContact CG-CG 4.46Å; L1002-Q1006 PolarHBondContact O-N 3.48Å
1007	L	29.3	Very low	29.2	Very low	130 Å²	130	122.7 Å²	122.7	68%	0.681	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-25.1	171.4	-75	165.8	0	0	0	113	L1003	L1003-L1007 PolarHBondContact O-N 2.83Å
1008	T	31.3	Very low	29.1	Very low	94 Å²	94	120.9 Å²	120.9	58%	0.577	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-16.4	-178.5	-54.2	0	0	0	0	113.3	I1004	I1004-T1008 WeakPolarHBondContact O-CB 3.42Å; I1004-T1008 PolarHBondContact O-OG1 2.82Å
1009	N	31.3	Very low	29.1	Very low	120 Å²	120	123 Å²	123	64%	0.642	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	8.6	179.2	-73.7	-75.6	0	0	0	114.2	N1005	N1005-N1009 PolarHBondContact O-N 2.84Å; N1005-N1009 PolarHBondContact O-ND2 3.25Å
1010	A	30.4	Very low	28.9	Very low	76 Å²	76	122.5 Å²	122.5	63%	0.628	69%	0.686	S	S	*	*	S	Bend	trans	-97.9	1.4	177.5	0	0	0	0	0	114.2
1011	L	29.3	Very low	28.8	Very low	161 Å²	161	122.6 Å²	122.6	84%	0.843	69%	0.686	S	S	*	*	S	Bend	trans	-116.2	26.3	177.3	-77	171.9	0	0	0	112.9
1012	H	28.4	Very low	28.5	Very low	159 Å²	159	123 Å²	123	74%	0.736	69%	0.693	S	S	*	*	S	Bend	trans	-131.8	142.4	165.5	-100.6	72.2	0	0	0	109.4
1013	L	29	Very low	28.3	Very low	152 Å²	152	123.6 Å²	123.6	80%	0.796	71%	0.705	S	S	*	*	S	Bend	trans	63.9	86	171.8	-54.3	170.9	0	0	0	116.5
1014	N	26.4	Very low	28.3	Very low	157 Å²	157	123.8 Å²	123.8	84%	0.84	71%	0.706	S	S	*	*				-177.3	157.8	103.8	-87.8	-41.4	0	0	0	112.1
1015	G	27.4	Very low	28.1	Very low	66 Å²	66	125 Å²	125	68%	0.68	71%	0.707	S	S	*	*			trans	113.8	38.1	-169.9	0	0	0	0	0	113.3
1016	T	28.1	Very low	28	Very low	117 Å²	117	127.4 Å²	127.4	72%	0.718	72%	0.72	S	S	*	*				42.9	96.1	84.5	62.7	0	0	0	0	114.6
1017	S	24.2	Very low	27.8	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	73%	0.73	S	S	*	*			trans	55.6	110.8	159.4	-160.7	0	0	0	0	119.1
1018	L	26.5	Very low	27.8	Very low	180 Å²	180	127.6 Å²	127.6	94%	0.942	73%	0.726	S	S	*	*			trans	-136.1	58.3	137.7	-161.3	73.3	0	0	0	110.1
1019	D	23.8	Very low	27.6	Very low	134 Å²	134	129.2 Å²	129.2	72%	0.717	73%	0.731	S	S	*	*			trans	-66.2	160.5	159.8	-86.7	-58.9	0	0	0	110.6
1020	S	24.7	Very low	27.5	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	74%	0.737	S	S	*	*			trans	65.2	98.2	173.5	68.7	0	0	0	0	117.5
1021	L	26.1	Very low	27.5	Very low	153 Å²	153	133 Å²	133	80%	0.801	74%	0.739	S	S	*	*			trans	-158.3	117.3	135.1	-110.1	165.5	0	0	0	109.7
1022	N	28	Very low	27.5	Very low	138 Å²	138	133.4 Å²	133.4	74%	0.738	73%	0.734	S	S	*	*			trans	58.7	105.9	168.8	-50.7	-23.1	0	0	0	115.6
1023	S	24.7	Very low	27.4	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	73%	0.729	S	S	*	*			cis	59	58.2	18.9	-176.1	0	0	0	0	114.9
1024	D	29.9	Very low	27.6	Very low	120 Å²	120	128.5 Å²	128.5	64%	0.642	73%	0.726	S	S	*	*			trans	176.1	149.7	144.3	-99	12	0	0	0	108.4
1025	K	30.1	Very low	27.7	Very low	145 Å²	145	127.2 Å²	127.2	63%	0.63	72%	0.719	S	S	*	*			cis	-167.2	146.2	-17	-121	178.7	-166.3	78.5	0	105.9
1026	N	28.5	Very low	27.9	Very low	124 Å²	124	130.6 Å²	130.6	66%	0.663	72%	0.72	S	S	*	*			trans	62.6	133.2	151	-61.1	-0.4	0	0	0	121.5
1027	Q	27.1	Very low	28	Very low	174 Å²	174	131 Å²	131	81%	0.813	72%	0.718	S	S	*	*			trans	71	140.1	144.2	-65.8	174.6	-82.7	0	0	118.5
1028	C	28.1	Very low	28.4	Very low	87 Å²	87	131.9 Å²	131.9	59%	0.588	72%	0.715	S	S	*	*			cis	-149	153.4	-1.9	-112.3	0	0	0	0	110.5
1029	D	28.1	Very low	28.4	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	71%	0.709	S	S	*	*			trans	25.9	140.4	135.4	-42.6	-36.5	0	0	0	119.6
1030	L	29.7	Very low	28.6	Very low	145 Å²	145	132.2 Å²	132.2	76%	0.759	71%	0.712	S	S	*	*			cis	-142.5	138.7	32.2	-89.6	88.9	0	0	0	113.8
1031	L	29.4	Very low	28.7	Very low	129 Å²	129	131 Å²	131	68%	0.675	71%	0.709	S	S	*	*				46.2	135.2	125.9	-48.9	-167.6	0	0	0	120.7
1032	K	28.7	Very low	28.8	Very low	171 Å²	171	129.7 Å²	129.7	74%	0.743	71%	0.707	S	S	*	*			cis	-173.9	156.5	-8.2	-130.9	176.4	-170	170.7	0	111
1033	S	27.9	Very low	28.7	Very low	89 Å²	89	128.9 Å²	128.9	62%	0.622	71%	0.707	S	S	*	*			trans	34	141.3	140.9	68.9	0	0	0	0	120.8
1034	T	32	Very low	28.9	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	70%	0.703	S	S	*	*			cis	-141	146.1	21.7	38.7	0	0	0	0	109.9
1035	D	28.9	Very low	28.8	Very low	130 Å²	130	128.6 Å²	128.6	70%	0.695	71%	0.705	S	S	*	*				61.5	140.3	69.2	-43.3	-53.4	0	0	0	112.1
1036	I	32	Very low	28.7	Very low	138 Å²	138	127.1 Å²	127.1	71%	0.708	71%	0.708	S	S	*	*			cis	-163.7	150.2	19	-142.3	159.8	0	0	0	111.7
1037	D	30.5	Very low	28.8	Very low	125 Å²	125	126.4 Å²	126.4	67%	0.668	71%	0.709	S	S	*	*			trans	51.7	166.4	146.3	-67.2	9.6	0	0	0	123.4
1038	N	31.3	Very low	28.9	Very low	119 Å²	119	123.8 Å²	123.8	64%	0.636	71%	0.705	S	S	*	*			cis	-150.8	134.7	-19	-106.3	-32.7	0	0	0	107.7
1039	Y	27.1	Very low	29	Very low	208 Å²	208	124.9 Å²	124.9	82%	0.816	71%	0.709	S	S	*	*				53.4	118.4	93.5	-99.6	-80.8	0	0	0	118.6
1040	S	28.6	Very low	29.1	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	71%	0.709	S	S	*	*			trans	65.8	160.6	150.7	74.3	0	0	0	0	118.9
1041	A	27.2	Very low	29.2	Very low	86 Å²	86	122 Å²	122	71%	0.711	70%	0.702	S	S	*	*			cis	-169.1	-176.8	-32.5	0	0	0	0	0	108.3
1042	V	27.7	Very low	29.3	Very low	126 Å²	126	121.8 Å²	121.8	76%	0.764	70%	0.702	S	S	*	*			trans	70.7	85.6	161.5	-168.1	0	0	0	0	117.3
1043	T	26.4	Very low	29.6	Very low	120 Å²	120	119.1 Å²	119.1	74%	0.736	70%	0.696	S	S	*	*				77.9	155.6	125.6	-47.6	0	0	0	0	120.5
1044	T	28.1	Very low	29.9	Very low	111 Å²	111	120.7 Å²	120.7	68%	0.681	70%	0.697	S	S	*	*			trans	80.5	98.9	160.5	12.9	0	0	0	0	119.5
1045	T	27.9	Very low	30	Very low	113 Å²	113	120.3 Å²	120.3	69%	0.693	69%	0.691	S	S	*	*				68.7	124.6	130	49.2	0	0	0	0	122
1046	T	28.5	Very low	30.3	Very low	114 Å²	114	119.7 Å²	119.7	70%	0.699	69%	0.688	S	S	*	*			trans	71.2	107.2	138.5	52.9	0	0	0	0	120.4
1047	T	29.1	Very low	30.3	Very low	110 Å²	110	119.5 Å²	119.5	68%	0.675	69%	0.688	S	S	*	*				69.7	119.6	126.2	60.8	0	0	0	0	120.2
1048	T	29.6	Very low	30.5	Very low	119 Å²	119	118 Å²	118	73%	0.73	69%	0.687	S	S	*	*			trans	64.6	136.3	130.3	63.7	0	0	0	0	118.6
1049	T	29.6	Very low	30.6	Very low	109 Å²	109	117.9 Å²	117.9	67%	0.669	69%	0.686	S	S	*	*			cis	-172.5	162.3	0.9	16.5	0	0	0	0	107.1
1050	T	30.4	Very low	30.9	Very low	113 Å²	113	113.9 Å²	113.9	69%	0.693	68%	0.679	S	S	*	*			trans	50.4	135.5	143.9	60.8	0	0	0	0	119.2
1051	T	31.6	Very low	31.2	Very low	101 Å²	101	113.8 Å²	113.8	62%	0.62	67%	0.67	S	S	*	*			cis	179.5	157.5	20.7	11.4	0	0	0	0	107.9
1052	N	33.3	Very low	31.5	Very low	124 Å²	124	116.2 Å²	116.2	66%	0.663	67%	0.671	S	S	*	*			trans	66	152.6	143.6	-64.9	4.4	0	0	0	117.5
1053	N	33.2	Very low	31.7	Very low	116 Å²	116	114.7 Å²	114.7	62%	0.62	67%	0.666	S	S	*	*			cis	-164.9	166.9	-13.6	-114.4	4.5	0	0	0	108.1
1054	N	34.2	Very low	32.1	Very low	121 Å²	121	113.6 Å²	113.6	65%	0.647	66%	0.663	S	S	*	*			trans	68.1	157.6	147	-75	38.2	0	0	0	116.1
1055	D	35.2	Very low	32.3	Very low	110 Å²	110	114.7 Å²	114.7	59%	0.588	67%	0.665	S	S	*	*			cis	-154.3	160.3	0.7	-127.7	-20.6	0	0	0	114.4
1056	N	34.9	Very low	32.4	Very low	118 Å²	118	114.8 Å²	114.8	63%	0.631	66%	0.661	S	S	*	*			trans	52.3	112	139.4	-72.2	-36.9	0	0	0	121.4
1057	N	33.1	Very low	32.7	Very low	134 Å²	134	116.7 Å²	116.7	72%	0.717	67%	0.667	S	S	*	*				112.9	145.6	99.8	-105.2	-35.5	0	0	0	120.4
1058	S	34.1	Very low	32.6	Very low	94 Å²	94	118.1 Å²	118.1	66%	0.657	67%	0.671	S	S	*	*			trans	72.1	134.9	131.4	-179.5	0	0	0	0	119.5
1059	N	32.7	Very low	32.8	Very low	115 Å²	115	122.4 Å²	122.4	62%	0.615	68%	0.679	S	S	*	*			cis	-178.6	171.2	-15.1	-101.9	-43.3	0	0	0	106.1
1060	N	33.7	Very low	32.5	Very low	125 Å²	125	125.4 Å²	125.4	67%	0.668	69%	0.686	S	S	*	*			trans	68.4	150.5	143.6	-72.4	-4.2	0	0	0	117.5
1061	N	34.4	Very low	32.2	Very low	111 Å²	111	127 Å²	127	59%	0.594	69%	0.689	S	S	*	*			cis	-164.3	165.2	-9.2	-121.4	-13.8	0	0	0	111.8
1062	N	33.9	Very low	31.8	Very low	137 Å²	137	127.5 Å²	127.5	73%	0.733	69%	0.692	S	S	*	*			trans	69.4	148	141.9	-71.6	-12.2	0	0	0	120
1063	S	32.2	Very low	31.3	Very low	93 Å²	93	129.3 Å²	129.3	65%	0.65	70%	0.701	S	S	*	*			cis	-167.9	164.9	-15.2	-177.1	0	0	0	0	110.9
1064	S	33.9	Very low	30.9	Very low	98 Å²	98	133 Å²	133	69%	0.685	72%	0.715	S	S	*	*			trans	76.9	143.6	150.3	79.1	0	0	0	0	118.5
1065	N	33.2	Very low	30.3	Very low	134 Å²	134	132.6 Å²	132.6	72%	0.717	72%	0.721	S	S	*	*			cis	-154.8	136	-17.3	-118.4	-24.7	0	0	0	113.2
1066	N	30.6	Very low	29.9	Very low	114 Å²	114	133.3 Å²	133.3	61%	0.61	73%	0.73	S	S	*	*			trans	2.6	137.3	142.8	-58.8	-61.7	0	0	0	119.7
1067	N	33	Very low	29.5	Very low	154 Å²	154	131 Å²	131	82%	0.824	72%	0.721	S	S	*	*				-174.8	110.6	102.4	-90.4	-37.9	0	0	0	115.3
1068	N	28.4	Very low	29.2	Very low	141 Å²	141	134 Å²	134	75%	0.754	73%	0.728	S	S	*	*			trans	-5.2	134.9	157	-47.4	-19.9	0	0	0	120.8
1069	K	32.4	Very low	28.9	Very low	209 Å²	209	133.2 Å²	133.2	91%	0.909	72%	0.716	S	S	*	*				-166	164.8	116.5	-105.8	167	-176.1	-179.4	0	113.4
1070	E	24.3	Very low	28.7	Very low	172 Å²	172	132.9 Å²	132.9	80%	0.804	72%	0.718	S	S	*	*			trans	-85.5	171.5	-158.4	-62.4	166.7	86.1	0	0	117.4
1071	L	24.1	Very low	28.4	Very low	145 Å²	145	131 Å²	131	76%	0.759	71%	0.708	S	S	*	*			trans	91	128.1	147.3	-77.3	153.3	0	0	0	121.7
1072	T	22.6	Very low	28.1	Very low	112 Å²	112	135.4 Å²	135.4	69%	0.687	72%	0.716	S	S	*	*			trans	69.4	117.5	147.7	48.4	0	0	0	0	123.4
1073	L	23.4	Very low	28.1	Very low	163 Å²	163	134.1 Å²	134.1	85%	0.853	71%	0.713	S	S	*	*			trans	74.6	159.2	134.2	-75.2	169.4	0	0	0	121.7
1074	Q	24.1	Very low	28.1	Very low	194 Å²	194	137.3 Å²	137.3	91%	0.907	72%	0.715	S	S	*	*			trans	74.6	164.7	167.2	-74.7	178.1	-22.3	0	0	118.6
1075	S	22.2	Very low	27.9	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	72%	0.724	S	S	*	*			trans	-136.7	144.6	-152.9	53.7	0	0	0	0	111.9
1076	T	25.8	Very low	28	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	72%	0.716	S	S	*	*			trans	-128.6	148.4	164.2	50.3	0	0	0	0	110.4
1077	P	28.1	Very low	28.3	Very low	70 Å²	70	141.2 Å²	141.2	46%	0.455	72%	0.715	S	S	.	*			trans	-74.3	-161	178.6	-12.7	27.6	0	0	0	114.3	E841	E841-P1077 HydrophobicContact CB-CG 4.26Å; E841-P1077 VanDerWaalsContact CD-C 3.5Å; E841-P1077 VanDerWaalsContact OE2-C 3.27Å; E841-P1077 WeakPolarHBondContact OE2-CB 3.42Å
1078	F	26.6	Very low	28.6	Very low	196 Å²	196	137.8 Å²	137.8	86%	0.86	70%	0.699	S	S	*	*			trans	-125.1	113.2	170.7	-107.9	-90.6	0	0	0	110.4	E841 T1080	E841-F1078 PolarHBondContact OE2-N 2.9Å; F1078-T1080 PolarHBondContact O-N 3.34Å
1079	I	26.6	Very low	29.2	Very low	78 Å²	78	136.7 Å²	136.7	40%	0.4	69%	0.693	S	S	.	*			trans	-62.4	130.6	170.1	-90.3	174.1	0	0	0	109.2	N840 E841	N840-I1079 HydrophobicContact CB-CD1 4.27Å; N840-I1079 VanDerWaalsContact O-CD1 3.28Å; N840-I1079 WeakPolarHBondContact O-CD1 3.13Å; E841-I1079 PolarHBondContact OE1-N 2.96Å; E841-I1079 PolarHBondContact OE2-N 3.02Å
1080	T	30.1	Very low	29.8	Very low	107 Å²	107	131.3 Å²	131.3	66%	0.656	67%	0.674	S	S	*	*			trans	-122.1	137.5	158.9	40.1	0	0	0	0	109.2	F1078 W1082	F1078-T1080 PolarHBondContact O-N 3.34Å; T1080-W1082 PolarHBondContact O-N 3.23Å
1081	D	27.1	Very low	30.6	Very low	85 Å²	85	128 Å²	128	46%	0.455	66%	0.661	S	S	.	*			trans	-73.4	96.5	-173.5	173.7	12.3	0	0	0	110.6	T1083 K1084	D1081-T1083 VanDerWaalsContact CG-OG1 3.29Å; D1081-T1083 PolarHBondContact O-N 3.26Å; D1081-T1083 WeakPolarHBondContact OD1-CB 3.47Å; D1081-T1083 WeakPolarHBondContact OD1-CG2 3.45Å; D1081-T1083 PolarHBondContact OD1-N 3.3Å; D1081-T1083 PolarHBondContact OD1-OG1 2.89Å; D1081-T1083 PolarHBondContact OD2-OG1 3.24Å; D1081-K1084 IonicContact OD2-NZ 2.69Å; D1081-K1084 PolarHBondContact OD2-NZ 3.2Å
1082	W	28	Very low	31.6	Very low	205 Å²	205	125.1 Å²	125.1	78%	0.777	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-56.1	-16.8	-177.5	-72.1	82.3	0	0	0	114.5	T1080 K1084	T1080-W1082 PolarHBondContact O-N 3.23Å; W1082-K1084 PolarHBondContact O-N 2.63Å
1083	T	33.6	Very low	32.9	Very low	109 Å²	109	123.7 Å²	123.7	67%	0.669	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-70.9	-9.7	-174	65.6	0	0	0	0	114.7	D1081	D1081-T1083 VanDerWaalsContact CG-OG1 3.29Å; D1081-T1083 PolarHBondContact O-N 3.26Å; D1081-T1083 WeakPolarHBondContact OD1-CB 3.47Å; D1081-T1083 WeakPolarHBondContact OD1-CG2 3.45Å; D1081-T1083 PolarHBondContact OD1-N 3.3Å; D1081-T1083 PolarHBondContact OD1-OG1 2.89Å; D1081-T1083 PolarHBondContact OD2-OG1 3.24Å
1084	K	32.8	Very low	33.9	Very low	160 Å²	160	118.7 Å²	118.7	70%	0.696	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-108	1.4	-171.6	-65.8	-171.4	179.1	92.6	0	116.4	D1081 W1082	D1081-K1084 IonicContact OD2-NZ 2.69Å; D1081-K1084 PolarHBondContact OD2-NZ 3.2Å; W1082-K1084 PolarHBondContact O-N 2.63Å
1085	W	29.3	Very low	34.9	Very low	229 Å²	229	112.9 Å²	112.9	87%	0.867	59%	0.587	S	S	*	*			trans	-119.8	17.6	-168.2	-117.5	65.6	0	0	0	116.7
1086	T	35.3	Very low	36.2	Very low	88 Å²	88	113.5 Å²	113.5	54%	0.54	58%	0.578	S	S	.	*			trans	-85.1	114.1	174.3	52.2	0	0	0	0	112.1	V1088	T1086-V1088 VanDerWaalsContact C-N 3.31Å; T1086-V1088 PolarHBondContact O-N 2.86Å
1087	N	36.8	Very low	37.4	Very low	112 Å²	112	112.1 Å²	112.1	60%	0.599	57%	0.565	S	S	*	*			trans	-69.4	92.3	160.7	-174.4	-26.3	0	0	0	108.7	N1089 L1090 L1091	N1087-N1089 PolarHBondContact O-N 3.24Å; N1087-N1089 VanDerWaalsContact O-N 3.09Å; N1087-N1089 PolarHBondContact OD1-N 2.69Å; N1087-L1090 HydrophobicContact CB-CB 4.38Å; N1087-L1090 PolarHBondContact O-N 3.01Å; N1087-L1091 PolarHBondContact O-N 2.9Å
1088	V	38.1	Very low	38.1	Very low	81 Å²	81	114 Å²	114	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-54.9	-30.9	-172.7	177.3	0	0	0	0	112.3	T1086 N1092	T1086-V1088 VanDerWaalsContact C-N 3.31Å; T1086-V1088 PolarHBondContact O-N 2.86Å; V1088-N1092 VanDerWaalsContact O-CB 3.25Å; V1088-N1092 WeakPolarHBondContact O-CB 3.34Å; V1088-N1092 PolarHBondContact O-N 3.46Å; V1088-N1092 PolarHBondContact O-ND2 3.23Å
1089	N	41	Very low	38.9	Very low	118 Å²	118	109.6 Å²	109.6	63%	0.631	54%	0.543	S	S	*	.	H	α-helix	trans	-70.7	-38.2	177.6	-71.9	-19	0	0	0	112.8	N1087 T1093	N1087-N1089 PolarHBondContact O-N 3.24Å; N1087-N1089 VanDerWaalsContact O-N 3.09Å; N1087-N1089 PolarHBondContact OD1-N 2.69Å; N1089-T1093 WeakPolarHBondContact O-CB 3.3Å; N1089-T1093 PolarHBondContact O-N 3.5Å; N1089-T1093 PolarHBondContact O-OG1 2.86Å
1090	L	44.8	Very low	39.8	Very low	97 Å²	97	109.5 Å²	109.5	51%	0.508	55%	0.55	S	S	.	.	H	α-helix	trans	-66.1	-45.3	174.6	-173.7	71.4	0	0	0	110.4	N1087 T1093 L1094	N1087-L1090 HydrophobicContact CB-CB 4.38Å; N1087-L1090 PolarHBondContact O-N 3.01Å; L1090-T1093 PolarHBondContact O-N 3.23Å; L1090-L1094 HydrophobicContact CG-CD1 4.27Å; L1090-L1094 WeakPolarHBondContact O-CG 3.24Å; L1090-L1094 PolarHBondContact O-N 3.36Å
1091	L	41.9	Very low	40.2	Very low	101 Å²	101	110.5 Å²	110.5	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-41.9	179.8	-162.7	70.8	0	0	0	111.7	N1087 N1095	N1087-L1091 PolarHBondContact O-N 2.9Å; L1091-N1095 VanDerWaalsContact O-CB 3.23Å; L1091-N1095 WeakPolarHBondContact O-CB 3.49Å; L1091-N1095 PolarHBondContact O-N 3.06Å
1092	N	44.8	Very low	41	Very low	85 Å²	85	111.6 Å²	111.6	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-39	172.8	-81.3	-23.9	0	0	0	112.4	V1088 N1095 Q1096	V1088-N1092 VanDerWaalsContact O-CB 3.25Å; V1088-N1092 WeakPolarHBondContact O-CB 3.34Å; V1088-N1092 PolarHBondContact O-N 3.46Å; V1088-N1092 PolarHBondContact O-ND2 3.23Å; N1092-N1095 PolarHBondContact O-N 3.07Å; N1092-Q1096 VanDerWaalsContact O-CG 3.26Å; N1092-Q1096 WeakPolarHBondContact O-CG 3.43Å; N1092-Q1096 PolarHBondContact O-N 3.21Å
1093	T	50.1	Low	41.5	Very low	82 Å²	82	106.6 Å²	106.6	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-45.5	177.8	-57.5	0	0	0	0	111	N1089 L1090 N1095 Q1096 I1097	N1089-T1093 WeakPolarHBondContact O-CB 3.3Å; N1089-T1093 PolarHBondContact O-N 3.5Å; N1089-T1093 PolarHBondContact O-OG1 2.86Å; L1090-T1093 PolarHBondContact O-N 3.23Å; T1093-N1095 PolarHBondContact O-N 3.01Å; T1093-Q1096 PolarHBondContact O-N 3.12Å; T1093-I1097 HydrophobicContact CG2-CD1 4.14Å; T1093-I1097 WeakPolarHBondContact O-CG1 3.21Å; T1093-I1097 PolarHBondContact O-N 3.49Å
1094	L	44.6	Very low	41.8	Very low	59 Å²	59	105.2 Å²	105.2	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-40.2	174.1	-70.8	168.2	0	0	0	112.1	L1090 I1097 W1098	L1090-L1094 HydrophobicContact CG-CD1 4.27Å; L1090-L1094 WeakPolarHBondContact O-CG 3.24Å; L1090-L1094 PolarHBondContact O-N 3.36Å; L1094-I1097 PolarHBondContact O-N 2.9Å; L1094-W1098 WeakPolarHBondContact O-CB 3.47Å; L1094-W1098 PolarHBondContact O-N 3.03Å
1095	N	44.4	Very low	41.8	Very low	71 Å²	71	101.3 Å²	101.3	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-36.3	176.3	-167.7	-26.7	0	0	0	112.2	L1091 N1092 T1093 W1098 K1099	L1091-N1095 VanDerWaalsContact O-CB 3.23Å; L1091-N1095 WeakPolarHBondContact O-CB 3.49Å; L1091-N1095 PolarHBondContact O-N 3.06Å; N1092-N1095 PolarHBondContact O-N 3.07Å; T1093-N1095 PolarHBondContact O-N 3.01Å; N1095-W1098 PolarHBondContact O-N 2.87Å; N1095-K1099 WeakPolarHBondContact O-CB 3.32Å; N1095-K1099 WeakPolarHBondContact O-CG 3.46Å; N1095-K1099 PolarHBondContact O-N 3.17Å; N1095-K1099 WeakPolarHBondContact OD1-CE 3.34Å; N1095-K1099 PolarHBondContact OD1-NZ 3.17Å
1096	Q	50.4	Low	42.2	Very low	126 Å²	126	93 Å²	93	59%	0.589	48%	0.482	S	S	*	.	H	α-helix	trans	-71.7	-36.4	173.6	-67.1	-73.4	54.1	0	0	112.4	N1092 T1093 K1099 S1100	N1092-Q1096 VanDerWaalsContact O-CG 3.26Å; N1092-Q1096 WeakPolarHBondContact O-CG 3.43Å; N1092-Q1096 PolarHBondContact O-N 3.21Å; T1093-Q1096 PolarHBondContact O-N 3.12Å; Q1096-K1099 PolarHBondContact O-N 2.82Å; Q1096-S1100 WeakPolarHBondContact O-CB 3.33Å; Q1096-S1100 PolarHBondContact O-N 3.06Å
1097	I	50.5	Low	42.3	Very low	96 Å²	96	94.3 Å²	94.3	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-44.4	172	-68	165.3	0	0	0	110.3	T1093 L1094 S1100 Q1101	T1093-I1097 HydrophobicContact CG2-CD1 4.14Å; T1093-I1097 WeakPolarHBondContact O-CG1 3.21Å; T1093-I1097 PolarHBondContact O-N 3.49Å; L1094-I1097 PolarHBondContact O-N 2.9Å; I1097-S1100 WeakPolarHBondContact O-CB 3.4Å; I1097-S1100 PolarHBondContact O-N 3.33Å; I1097-Q1101 WeakPolarHBondContact O-CG 3.46Å; I1097-Q1101 PolarHBondContact O-N 2.96Å
1098	W	43.9	Very low	42.2	Very low	108 Å²	108	94.4 Å²	94.4	41%	0.409	48%	0.482	S	S	.	.	H	α-helix	trans	-56.3	-53.8	172.7	-174.8	-49.2	0	0	0	111	F889 L1094 N1095 S1100 Q1101 W1102	F889-W1098 HydrophobicContact CD1-CZ3 4.47Å; F889-W1098 HydrophobicContact CG-CZ3 4.46Å; L1094-W1098 WeakPolarHBondContact O-CB 3.47Å; L1094-W1098 PolarHBondContact O-N 3.03Å; N1095-W1098 PolarHBondContact O-N 2.87Å; W1098-S1100 VanDerWaalsContact C-N 3.28Å; W1098-S1100 PolarHBondContact O-N 3.03Å; W1098-Q1101 PolarHBondContact O-N 3.27Å; W1098-W1102 VanDerWaalsContact O-CB 3.24Å; W1098-W1102 WeakPolarHBondContact O-CB 3.15Å; W1098-W1102 PolarHBondContact O-N 2.84Å
1099	K	43.8	Very low	42	Very low	104 Å²	104	95.8 Å²	95.8	45%	0.452	48%	0.483	S	S	.	.	H	α-helix	trans	-58.8	-38.3	179.7	-77.1	169.7	176.2	170.5	0	112.9	N1095 Q1096 N1103	N1095-K1099 WeakPolarHBondContact O-CB 3.32Å; N1095-K1099 WeakPolarHBondContact O-CG 3.46Å; N1095-K1099 PolarHBondContact O-N 3.17Å; N1095-K1099 WeakPolarHBondContact OD1-CE 3.34Å; N1095-K1099 PolarHBondContact OD1-NZ 3.17Å; Q1096-K1099 PolarHBondContact O-N 2.82Å; K1099-N1103 WeakPolarHBondContact O-CB 3.46Å; K1099-N1103 PolarHBondContact O-N 3.14Å; K1099-N1103 PolarHBondContact O-ND2 3.19Å
1100	S	44.3	Very low	41.6	Very low	77 Å²	77	98.6 Å²	98.6	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-55.3	174.1	-174	0	0	0	0	111.2	Q1096 I1097 W1098 W1102 N1103 T1104	Q1096-S1100 WeakPolarHBondContact O-CB 3.33Å; Q1096-S1100 PolarHBondContact O-N 3.06Å; I1097-S1100 WeakPolarHBondContact O-CB 3.4Å; I1097-S1100 PolarHBondContact O-N 3.33Å; W1098-S1100 VanDerWaalsContact C-N 3.28Å; W1098-S1100 PolarHBondContact O-N 3.03Å; S1100-W1102 PolarHBondContact O-N 3.42Å; S1100-N1103 PolarHBondContact O-N 2.96Å; S1100-T1104 PolarHBondContact O-N 3.5Å; S1100-T1104 PolarHBondContact O-OG1 2.88Å; S1100-T1104 VanDerWaalsContact O-OG1 3.11Å
1101	Q	39.8	Very low	40.9	Very low	127 Å²	127	100.5 Å²	100.5	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-59.9	-44.9	178.9	-69.1	-76.5	-90.2	0	0	112.7	I1097 W1098 N1103 T1104 M1105	I1097-Q1101 WeakPolarHBondContact O-CG 3.46Å; I1097-Q1101 PolarHBondContact O-N 2.96Å; W1098-Q1101 PolarHBondContact O-N 3.27Å; Q1101-N1103 VanDerWaalsContact C-N 3.35Å; Q1101-N1103 PolarHBondContact O-N 3.34Å; Q1101-T1104 WeakPolarHBondContact CA-OG1 3.3Å; Q1101-T1104 PolarHBondContact O-N 3.03Å; Q1101-T1104 PolarHBondContact O-OG1 2.88Å; Q1101-M1105 PolarHBondContact O-N 3.31Å; Q1101-M1105 VanDerWaalsContact O-N 3.11Å
1102	W	42.6	Very low	40.3	Very low	109 Å²	109	102.6 Å²	102.6	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-39.3	-179.7	-171	-98.2	0	0	0	112.3	W1098 S1100 M1105 N1106	W1098-W1102 VanDerWaalsContact O-CB 3.24Å; W1098-W1102 WeakPolarHBondContact O-CB 3.15Å; W1098-W1102 PolarHBondContact O-N 2.84Å; S1100-W1102 PolarHBondContact O-N 3.42Å; W1102-M1105 PolarHBondContact O-N 2.91Å; W1102-N1106 PolarHBondContact NE1-ND2 3.32Å; W1102-N1106 VanDerWaalsContact NE1-ND2 3.16Å; W1102-N1106 PolarHBondContact O-N 3.08Å; W1102-N1106 PolarHBondContact O-ND2 3.05Å
1103	N	38.2	Very low	39.5	Very low	99 Å²	99	104.7 Å²	104.7	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-66	-41.6	175.8	-74.6	-7.9	0	0	0	111.7	K1099 S1100 Q1101 M1105 N1106 I1107	K1099-N1103 WeakPolarHBondContact O-CB 3.46Å; K1099-N1103 PolarHBondContact O-N 3.14Å; K1099-N1103 PolarHBondContact O-ND2 3.19Å; S1100-N1103 PolarHBondContact O-N 2.96Å; Q1101-N1103 VanDerWaalsContact C-N 3.35Å; Q1101-N1103 PolarHBondContact O-N 3.34Å; N1103-M1105 PolarHBondContact O-N 3.44Å; N1103-N1106 PolarHBondContact O-N 2.89Å; N1103-I1107 WeakPolarHBondContact O-CD1 3.45Å; N1103-I1107 VanDerWaalsContact O-CG1 3.3Å; N1103-I1107 WeakPolarHBondContact O-CG1 3.3Å; N1103-I1107 PolarHBondContact O-N 3.19Å
1104	T	41.4	Very low	38.3	Very low	80 Å²	80	108.4 Å²	108.4	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-58.5	-45.7	173	21.6	0	0	0	0	112.6	S1100 Q1101 N1106 I1107	S1100-T1104 PolarHBondContact O-N 3.5Å; S1100-T1104 PolarHBondContact O-OG1 2.88Å; S1100-T1104 VanDerWaalsContact O-OG1 3.11Å; Q1101-T1104 WeakPolarHBondContact CA-OG1 3.3Å; Q1101-T1104 PolarHBondContact O-N 3.03Å; Q1101-T1104 PolarHBondContact O-OG1 2.88Å; T1104-N1106 PolarHBondContact O-N 3Å; T1104-I1107 PolarHBondContact O-N 3.16Å
1105	M	32.8	Very low	37.5	Very low	79 Å²	79	111.9 Å²	111.9	39%	0.389	55%	0.548	S	S	.	.	H	α-helix	trans	-66.3	-37.9	-179.9	-68.3	-172.4	73.8	0	0	113.3	Q1101 W1102 N1103 I1107 E1108 E1109 T1203	Q1101-M1105 PolarHBondContact O-N 3.31Å; Q1101-M1105 VanDerWaalsContact O-N 3.11Å; W1102-M1105 PolarHBondContact O-N 2.91Å; N1103-M1105 PolarHBondContact O-N 3.44Å; M1105-I1107 VanDerWaalsContact C-N 3.31Å; M1105-I1107 PolarHBondContact O-N 3.28Å; M1105-E1108 PolarHBondContact O-N 3.1Å; M1105-E1109 PolarHBondContact O-N 2.75Å; M1105-T1203 HydrophobicContact CE-CG2 3.73Å
1106	N	37.6	Very low	36.7	Very low	53 Å²	53	115.3 Å²	115.3	28%	0.283	57%	0.567	S	S	.	*	H	α-helix	trans	-71.1	-25.1	180	-81	-99.7	0	0	0	113	W1102 N1103 T1104 E1108 Y1110	W1102-N1106 PolarHBondContact NE1-ND2 3.32Å; W1102-N1106 VanDerWaalsContact NE1-ND2 3.16Å; W1102-N1106 PolarHBondContact O-N 3.08Å; W1102-N1106 PolarHBondContact O-ND2 3.05Å; N1103-N1106 PolarHBondContact O-N 2.89Å; T1104-N1106 PolarHBondContact O-N 3Å; N1106-E1108 VanDerWaalsContact C-N 3.29Å; N1106-E1108 PolarHBondContact O-N 3.02Å; N1106-Y1110 WeakPolarHBondContact O-CD2 3.44Å; N1106-Y1110 PolarHBondContact O-N 3.12Å
1107	I	36.7	Very low	35.6	Very low	117 Å²	117	114.9 Å²	114.9	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-67.8	-31.9	176	-70.9	164	0	0	0	111.1	N1103 T1104 M1105	N1103-I1107 WeakPolarHBondContact O-CD1 3.45Å; N1103-I1107 VanDerWaalsContact O-CG1 3.3Å; N1103-I1107 WeakPolarHBondContact O-CG1 3.3Å; N1103-I1107 PolarHBondContact O-N 3.19Å; T1104-I1107 PolarHBondContact O-N 3.16Å; M1105-I1107 VanDerWaalsContact C-N 3.31Å; M1105-I1107 PolarHBondContact O-N 3.28Å
1108	E	33.8	Very low	34.6	Very low	113 Å²	113	117.2 Å²	117.2	53%	0.528	59%	0.588	S	S	.	*	H	α-helix	trans	-76.1	-39.4	176.9	-64.3	-175.5	162.7	0	0	112.3	M1105 N1106 Y1110	M1105-E1108 PolarHBondContact O-N 3.1Å; N1106-E1108 VanDerWaalsContact C-N 3.29Å; N1106-E1108 PolarHBondContact O-N 3.02Å; E1108-Y1110 PolarHBondContact O-N 2.77Å
1109	E	35.8	Very low	33.8	Very low	110 Å²	110	121.9 Å²	121.9	51%	0.514	61%	0.606	S	S	.	*	H	α-helix	trans	-73.1	-21	179	-69.2	-166	152.3	0	0	114.1	R881 M1105	R881-E1109 IonicContact CZ-OE1 3.96Å; R881-E1109 IonicContact NH1-OE1 2.68Å; R881-E1109 PolarHBondContact NH1-OE1 3.29Å; M1105-E1109 PolarHBondContact O-N 2.75Å
1110	Y	31.6	Very low	33	Very low	178 Å²	178	122 Å²	122	70%	0.698	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-15	179	-101.2	-91.9	0	0	0	115.4	N1106 E1108	N1106-Y1110 WeakPolarHBondContact O-CD2 3.44Å; N1106-Y1110 PolarHBondContact O-N 3.12Å; E1108-Y1110 PolarHBondContact O-N 2.77Å
1111	N	30.4	Very low	32.4	Very low	137 Å²	137	126.6 Å²	126.6	73%	0.733	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	6.7	-177.6	-94	-19.5	0	0	0	114.5
1112	I	29.5	Very low	32	Very low	145 Å²	145	125.6 Å²	125.6	74%	0.744	63%	0.63	S	S	*	*			trans	-110.1	57.7	177.7	-43.5	-177.3	0	0	0	110.4
1113	N	26.8	Very low	31.5	Very low	128 Å²	128	127.1 Å²	127.1	68%	0.684	65%	0.645	S	S	*	*			trans	-110.9	110.7	167.8	-86.2	-54.5	0	0	0	110.7
1114	E	25.8	Very low	31.2	Very low	161 Å²	161	130.1 Å²	130.1	75%	0.752	65%	0.653	S	S	*	*			trans	30.3	136.3	145.3	-80.7	-169	-150.1	0	0	122.8
1115	N	27.6	Very low	30.8	Very low	131 Å²	131	134 Å²	134	70%	0.701	67%	0.666	S	S	*	*			trans	66.6	79.6	144.8	-55	-28.2	0	0	0	119.1
1116	N	28.2	Very low	30.7	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	68%	0.684	S	S	*	*			trans	-152.4	115.5	146	-120.8	-44.5	0	0	0	114.2	L1118	N1116-L1118 PolarHBondContact O-N 2.82Å
1117	P	26.7	Very low	30.5	Very low	117 Å²	117	139.9 Å²	139.9	76%	0.76	70%	0.702	S	S	*	*			trans	-90.8	80.8	-174	35.4	-34.7	0	0	0	112.8
1118	L	29.4	Very low	30.3	Very low	145 Å²	145	142.2 Å²	142.2	76%	0.759	71%	0.711	S	S	*	*			trans	-129.7	-3	-176.7	-112.2	163.4	0	0	0	117	N1116	N1116-L1118 PolarHBondContact O-N 2.82Å
1119	Y	27.3	Very low	29.9	Very low	205 Å²	205	146.8 Å²	146.8	80%	0.804	72%	0.724	S	S	*	*			trans	-110.2	19.7	-176.8	-99.2	-84.6	0	0	0	115.3
1120	S	26.4	Very low	29.7	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	74%	0.737	S	S	*	*	S	Bend	trans	-93.3	11.8	-170.3	60.8	0	0	0	0	116.2
1121	K	31.3	Very low	29.5	Very low	173 Å²	173	146.8 Å²	146.8	75%	0.752	74%	0.74	S	S	*	*	S	Bend	trans	-112.5	-46.9	-174.5	-127.9	177.1	-178.2	-177.1	0	114.8	L1123	K1121-L1123 VanDerWaalsContact C-N 3.33Å; K1121-L1123 PolarHBondContact O-N 3.41Å
1122	D	32	Very low	29.5	Very low	107 Å²	107	149 Å²	149	57%	0.572	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-78.7	-20.3	-166.4	-49.3	-28.1	0	0	0	113	K1124 E1125	D1122-K1124 PolarHBondContact O-N 2.81Å; D1122-E1125 PolarHBondContact O-N 3.47Å
1123	L	32.6	Very low	29.6	Very low	140 Å²	140	150 Å²	150	73%	0.733	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-70.7	14.6	174.8	-101.5	159.1	0	0	0	114.9	K1121	K1121-L1123 VanDerWaalsContact C-N 3.33Å; K1121-L1123 PolarHBondContact O-N 3.41Å
1124	K	32.2	Very low	29.5	Very low	162 Å²	162	148.8 Å²	148.8	70%	0.704	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-124.1	-19.4	174.7	-76.5	-175.3	176	176.3	0	115.6	D1122 T1127	D1122-K1124 PolarHBondContact O-N 2.81Å; K1124-T1127 WeakPolarHBondContact CA-OG1 3.45Å; K1124-T1127 PolarHBondContact O-OG1 3.03Å
1125	E	31.4	Very low	29.6	Very low	162 Å²	162	147.6 Å²	147.6	76%	0.757	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-33.6	174.9	-64.9	-167.1	146.2	0	0	111.6	D1122 T1127 Q1128	D1122-E1125 PolarHBondContact O-N 3.47Å; E1125-T1127 PolarHBondContact O-N 2.67Å; E1125-T1127 VanDerWaalsContact O-N 3.17Å; E1125-Q1128 PolarHBondContact O-N 3.06Å; E1125-Q1128 VanDerWaalsContact O-N 3.17Å
1126	L	31.3	Very low	29.5	Very low	146 Å²	146	149.1 Å²	149.1	76%	0.764	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-61.5	-21.8	173.2	-85.4	161.5	0	0	0	114.1	Q1128	L1126-Q1128 VanDerWaalsContact C-N 3.29Å; L1126-Q1128 PolarHBondContact O-N 3.24Å
1127	T	33.6	Very low	29.4	Very low	109 Å²	109	147.9 Å²	147.9	67%	0.669	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-78.5	-1.2	176.7	29.7	0	0	0	0	115.1	K1124 E1125	K1124-T1127 WeakPolarHBondContact CA-OG1 3.45Å; K1124-T1127 PolarHBondContact O-OG1 3.03Å; E1125-T1127 PolarHBondContact O-N 2.67Å; E1125-T1127 VanDerWaalsContact O-N 3.17Å
1128	Q	32.1	Very low	29.5	Very low	166 Å²	166	149.2 Å²	149.2	78%	0.776	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-116.4	-1.6	-170.6	-158.5	161.2	-7	0	0	115.8	E1125 L1126	E1125-Q1128 PolarHBondContact O-N 3.06Å; E1125-Q1128 VanDerWaalsContact O-N 3.17Å; L1126-Q1128 VanDerWaalsContact C-N 3.29Å; L1126-Q1128 PolarHBondContact O-N 3.24Å
1129	Y	26.2	Very low	29.4	Very low	209 Å²	209	148.1 Å²	148.1	82%	0.82	75%	0.751	S	S	*	*	S	Bend	trans	-104.9	-20.2	-174	-144.4	-96.8	0	0	0	116.3	N1131	Y1129-N1131 PolarHBondContact O-N 2.95Å
1130	N	31	Very low	29.3	Very low	147 Å²	147	145 Å²	145	79%	0.786	75%	0.749	S	S	*	*			trans	-98.2	44.6	-174	-71.8	-12.2	0	0	0	114.1
1131	N	27.7	Very low	29.6	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	74%	0.741	S	S	*	*			trans	-119.5	48.6	177	-90.6	-50.8	0	0	0	112.6	Y1129	Y1129-N1131 PolarHBondContact O-N 2.95Å
1132	H	30.1	Very low	29.7	Very low	184 Å²	184	140.7 Å²	140.7	85%	0.852	73%	0.733	S	S	*	*	S	Bend	trans	-158.2	163.9	159.6	-106.1	-79.1	0	0	0	109.1
1133	I	30.8	Very low	29.8	Very low	167 Å²	167	141.1 Å²	141.1	86%	0.856	74%	0.735	S	S	*	*			trans	71.5	80.3	-170.3	-45.9	174.7	0	0	0	112.2
1134	S	26.6	Very low	29.8	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	73%	0.73	S	S	*	*			trans	-93.7	173.6	150	-173.9	0	0	0	0	108.6
1135	D	26.9	Very low	29.7	Very low	136 Å²	136	141 Å²	141	73%	0.727	73%	0.727	S	S	*	*			trans	79.1	62.3	162.8	-51.4	-1.8	0	0	0	116.8
1136	Q	26.7	Very low	29.9	Very low	163 Å²	163	139.8 Å²	139.8	76%	0.762	72%	0.722	S	S	*	*	S	Bend		-172.6	138.7	128.1	-102.5	157.7	72.3	0	0	114.1
1137	V	25.8	Very low	30	Very low	118 Å²	118	136.3 Å²	136.3	72%	0.715	71%	0.709	S	S	*	*			trans	37.8	80.9	159.8	-159.9	0	0	0	0	117.6	I1139	V1137-I1139 HydrophobicContact CG1-CD1 4.46Å; V1137-I1139 HydrophobicContact CG1-CG1 3.81Å; V1137-I1139 PolarHBondContact O-N 3.13Å; V1137-I1139 VanDerWaalsContact O-N 3.14Å
1138	T	27.4	Very low	29.8	Very low	146 Å²	146	135.8 Å²	135.8	90%	0.896	70%	0.7	S	S	*	*			trans	-73.6	99.3	161.6	47.1	0	0	0	0	110.8
1139	I	27.9	Very low	30	Very low	122 Å²	122	132.7 Å²	132.7	63%	0.626	69%	0.688	S	S	*	*			trans	-78	127.3	170.4	-55.2	179.7	0	0	0	109.3	V1137 T1141	V1137-I1139 HydrophobicContact CG1-CD1 4.46Å; V1137-I1139 HydrophobicContact CG1-CG1 3.81Å; V1137-I1139 PolarHBondContact O-N 3.13Å; V1137-I1139 VanDerWaalsContact O-N 3.14Å; I1139-T1141 VanDerWaalsContact C-N 3.32Å; I1139-T1141 HydrophobicContact CB-CG2 4.42Å; I1139-T1141 HydrophobicContact CG2-CG2 4.17Å; I1139-T1141 PolarHBondContact O-N 3.03Å; I1139-T1141 PolarHBondContact O-OG1 2.87Å
1140	D	26.5	Very low	30.3	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	68%	0.678	S	S	*	*			trans	-63.1	85.7	174.6	-87.6	-39.4	0	0	0	111.8
1141	T	30.7	Very low	30.4	Very low	95 Å²	95	126.4 Å²	126.4	58%	0.583	66%	0.655	S	S	*	*			trans	-95.5	-12.1	-171.4	27.7	0	0	0	0	113.8	I1139	I1139-T1141 VanDerWaalsContact C-N 3.32Å; I1139-T1141 HydrophobicContact CB-CG2 4.42Å; I1139-T1141 HydrophobicContact CG2-CG2 4.17Å; I1139-T1141 PolarHBondContact O-N 3.03Å; I1139-T1141 PolarHBondContact O-OG1 2.87Å
1142	T	33.6	Very low	30.7	Very low	95 Å²	95	124.4 Å²	124.4	58%	0.583	64%	0.644	S	S	*	*	H	α-helix	trans	-79.1	-40	-176.1	48.7	0	0	0	0	113.8	Y1144 Q1146	T1142-Y1144 PolarHBondContact O-N 3.47Å; T1142-Q1146 PolarHBondContact O-N 3.19Å
1143	N	35.3	Very low	30.8	Very low	116 Å²	116	121 Å²	121	62%	0.62	63%	0.632	S	S	*	*	H	α-helix	trans	-69.3	-32.2	179	-83.1	-32.9	0	0	0	113	S1147	N1143-S1147 WeakPolarHBondContact O-CB 3.49Å; N1143-S1147 PolarHBondContact O-N 3.33Å
1144	Y	31.6	Very low	30.9	Very low	160 Å²	160	119.3 Å²	119.3	63%	0.627	62%	0.618	S	S	*	*	H	α-helix	trans	-70.6	-39.9	-176.4	-158.4	-99.1	0	0	0	112.2	T1142 S1147 M1148	T1142-Y1144 PolarHBondContact O-N 3.47Å; Y1144-S1147 PolarHBondContact O-N 2.95Å; Y1144-M1148 HydrophobicContact CD1-SD 4.4Å; Y1144-M1148 HydrophobicContact CE1-CE 3.69Å; Y1144-M1148 HydrophobicContact CE1-CG 4.3Å; Y1144-M1148 HydrophobicContact CE1-SD 3.98Å; Y1144-M1148 PolarHBondContact O-N 3.36Å
1145	Q	31.6	Very low	31.5	Very low	139 Å²	139	121.5 Å²	121.5	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-68.6	-42.6	176	-73.3	-166.9	-22.5	0	0	112.5	S1147 M1148 I1149	Q1145-S1147 VanDerWaalsContact C-N 3.32Å; Q1145-S1147 PolarHBondContact O-N 2.86Å; Q1145-M1148 PolarHBondContact O-N 3.46Å; Q1145-I1149 WeakPolarHBondContact O-CB 3.46Å; Q1145-I1149 VanDerWaalsContact O-CG1 3.27Å; Q1145-I1149 WeakPolarHBondContact O-CG1 3.46Å; Q1145-I1149 PolarHBondContact O-N 2.99Å
1146	Q	33.8	Very low	31.5	Very low	137 Å²	137	118.1 Å²	118.1	64%	0.64	60%	0.602	S	S	*	*	H	α-helix	trans	-62.4	-40.3	175.8	-69.8	-168.9	0.6	0	0	112	T1142 I1149 W1150	T1142-Q1146 PolarHBondContact O-N 3.19Å; Q1146-I1149 PolarHBondContact O-N 3.35Å; Q1146-W1150 PolarHBondContact O-N 3.39Å
1147	S	33.9	Very low	31.6	Very low	72 Å²	72	120.1 Å²	120.1	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-63.7	-45.9	175.1	-171.1	0	0	0	0	112.3	N1143 Y1144 Q1145 I1149 W1150 E1151	N1143-S1147 WeakPolarHBondContact O-CB 3.49Å; N1143-S1147 PolarHBondContact O-N 3.33Å; Y1144-S1147 PolarHBondContact O-N 2.95Å; Q1145-S1147 VanDerWaalsContact C-N 3.32Å; Q1145-S1147 PolarHBondContact O-N 2.86Å; S1147-I1149 PolarHBondContact O-N 2.85Å; S1147-W1150 PolarHBondContact O-N 2.92Å; S1147-E1151 WeakPolarHBondContact O-CB 3.41Å; S1147-E1151 PolarHBondContact O-N 3.12Å
1148	M	29.7	Very low	31.6	Very low	98 Å²	98	121.6 Å²	121.6	48%	0.483	61%	0.611	S	S	.	*	H	α-helix	trans	-62.2	-40.7	174.6	-90.7	-165.4	166.9	0	0	112.9	Y1144 Q1145 E1151 N1152	Y1144-M1148 HydrophobicContact CD1-SD 4.4Å; Y1144-M1148 HydrophobicContact CE1-CE 3.69Å; Y1144-M1148 HydrophobicContact CE1-CG 4.3Å; Y1144-M1148 HydrophobicContact CE1-SD 3.98Å; Y1144-M1148 PolarHBondContact O-N 3.36Å; Q1145-M1148 PolarHBondContact O-N 3.46Å; M1148-E1151 PolarHBondContact O-N 2.9Å; M1148-N1152 WeakPolarHBondContact O-CB 3.47Å; M1148-N1152 PolarHBondContact O-N 3.46Å; M1148-N1152 PolarHBondContact O-ND2 2.89Å
1149	I	36.4	Very low	31.6	Very low	101 Å²	101	121 Å²	121	52%	0.518	60%	0.601	S	S	.	*	H	α-helix	trans	-64.8	-42.9	177.7	-69.9	164.9	0	0	0	110.4	Q1145 Q1146 S1147 N1152 L1153	Q1145-I1149 WeakPolarHBondContact O-CB 3.46Å; Q1145-I1149 VanDerWaalsContact O-CG1 3.27Å; Q1145-I1149 WeakPolarHBondContact O-CG1 3.46Å; Q1145-I1149 PolarHBondContact O-N 2.99Å; Q1146-I1149 PolarHBondContact O-N 3.35Å; S1147-I1149 PolarHBondContact O-N 2.85Å; I1149-N1152 PolarHBondContact O-N 2.95Å; I1149-L1153 HydrophobicContact CG2-CD1 3.93Å; I1149-L1153 WeakPolarHBondContact O-CB 3.36Å; I1149-L1153 VanDerWaalsContact O-CG 3.3Å; I1149-L1153 WeakPolarHBondContact O-CG 3.35Å; I1149-L1153 PolarHBondContact O-N 3.43Å
1150	W	31.5	Very low	31.7	Very low	162 Å²	162	122.3 Å²	122.3	61%	0.614	61%	0.61	S	S	*	*	H	α-helix	trans	-67.7	-40.3	176.4	-113.9	111.1	0	0	0	113.3	Q1146 S1147 L1153 K1154	Q1146-W1150 PolarHBondContact O-N 3.39Å; S1147-W1150 PolarHBondContact O-N 2.92Å; W1150-L1153 PolarHBondContact O-N 3.5Å; W1150-K1154 HydrophobicContact CE3-CD 4.3Å; W1150-K1154 HydrophobicContact CE3-CG 4Å; W1150-K1154 HydrophobicContact CZ3-CG 4.2Å; W1150-K1154 WeakPolarHBondContact O-CG 3.38Å; W1150-K1154 PolarHBondContact O-N 3Å
1151	E	34.5	Very low	31.8	Very low	63 Å²	63	120.2 Å²	120.2	29%	0.294	61%	0.605	S	S	.	*	H	α-helix	trans	-68.1	-37.8	174.7	-82.6	-64.2	118.3	0	0	112.3	S1147 M1148 K1154 K1155	S1147-E1151 WeakPolarHBondContact O-CB 3.41Å; S1147-E1151 PolarHBondContact O-N 3.12Å; M1148-E1151 PolarHBondContact O-N 2.9Å; E1151-K1154 PolarHBondContact O-N 3.03Å; E1151-K1154 WeakPolarHBondContact OE1-CD 3.49Å; E1151-K1154 IonicContact OE1-NZ 2.77Å; E1151-K1154 PolarHBondContact OE1-NZ 2.87Å; E1151-K1155 WeakPolarHBondContact O-CB 3.19Å; E1151-K1155 WeakPolarHBondContact O-CD 3.49Å; E1151-K1155 WeakPolarHBondContact O-CG 3.43Å; E1151-K1155 PolarHBondContact O-N 2.89Å; E1151-K1155 WeakPolarHBondContact OE2-CE 3.3Å; E1151-K1155 IonicContact OE2-NZ 2.67Å; E1151-K1155 PolarHBondContact OE2-NZ 3Å
1152	N	32.7	Very low	31.7	Very low	98 Å²	98	121.5 Å²	121.5	52%	0.524	61%	0.609	S	S	.	*	H	α-helix	trans	-67.5	-37.4	174	-72.3	-25.1	0	0	0	111.5	M1148 I1149 K1154 K1155 S1156	M1148-N1152 WeakPolarHBondContact O-CB 3.47Å; M1148-N1152 PolarHBondContact O-N 3.46Å; M1148-N1152 PolarHBondContact O-ND2 2.89Å; I1149-N1152 PolarHBondContact O-N 2.95Å; N1152-K1154 VanDerWaalsContact C-N 3.34Å; N1152-K1154 PolarHBondContact O-N 3.05Å; N1152-K1155 CarbonylContact O-C 3.59Å; N1152-K1155 PolarHBondContact O-N 3.05Å; N1152-K1155 VanDerWaalsContact O-N 3.17Å; N1152-S1156 VanDerWaalsContact O-CB 3.28Å; N1152-S1156 WeakPolarHBondContact O-CB 3.49Å; N1152-S1156 PolarHBondContact O-N 3.17Å; N1152-S1156 PolarHBondContact O-OG 3.01Å; N1152-S1156 VanDerWaalsContact O-OG 3.1Å
1153	L	32.7	Very low	31.4	Very low	113 Å²	113	123 Å²	123	59%	0.592	61%	0.614	S	S	*	*	H	α-helix	trans	-67.9	-28.1	172.4	-76.5	168	0	0	0	113.7	I1149 W1150	I1149-L1153 HydrophobicContact CG2-CD1 3.93Å; I1149-L1153 WeakPolarHBondContact O-CB 3.36Å; I1149-L1153 VanDerWaalsContact O-CG 3.3Å; I1149-L1153 WeakPolarHBondContact O-CG 3.35Å; I1149-L1153 PolarHBondContact O-N 3.43Å; W1150-L1153 PolarHBondContact O-N 3.5Å
1154	K	34.2	Very low	31	Very low	131 Å²	131	123.1 Å²	123.1	57%	0.57	61%	0.614	S	S	*	*	H	α-helix	trans	-75.4	-29	169.4	-71.3	165.2	-173.5	174.2	0	112.8	W1150 E1151 N1152	W1150-K1154 HydrophobicContact CE3-CD 4.3Å; W1150-K1154 HydrophobicContact CE3-CG 4Å; W1150-K1154 HydrophobicContact CZ3-CG 4.2Å; W1150-K1154 WeakPolarHBondContact O-CG 3.38Å; W1150-K1154 PolarHBondContact O-N 3Å; E1151-K1154 PolarHBondContact O-N 3.03Å; E1151-K1154 WeakPolarHBondContact OE1-CD 3.49Å; E1151-K1154 IonicContact OE1-NZ 2.77Å; E1151-K1154 PolarHBondContact OE1-NZ 2.87Å; N1152-K1154 VanDerWaalsContact C-N 3.34Å; N1152-K1154 PolarHBondContact O-N 3.05Å
1155	K	37.5	Very low	30.8	Very low	147 Å²	147	125.2 Å²	125.2	64%	0.639	62%	0.621	S	S	*	*	H	α-helix	trans	-92.6	-20	-177.8	-74.7	161.7	173.6	144.6	0	113.5	E1151 N1152 K1157	E1151-K1155 WeakPolarHBondContact O-CB 3.19Å; E1151-K1155 WeakPolarHBondContact O-CD 3.49Å; E1151-K1155 WeakPolarHBondContact O-CG 3.43Å; E1151-K1155 PolarHBondContact O-N 2.89Å; E1151-K1155 WeakPolarHBondContact OE2-CE 3.3Å; E1151-K1155 IonicContact OE2-NZ 2.67Å; E1151-K1155 PolarHBondContact OE2-NZ 3Å; N1152-K1155 CarbonylContact O-C 3.59Å; N1152-K1155 PolarHBondContact O-N 3.05Å; N1152-K1155 VanDerWaalsContact O-N 3.17Å; K1155-K1157 VanDerWaalsContact C-N 3.31Å; K1155-K1157 PolarHBondContact O-N 2.66Å
1156	S	28.1	Very low	30.4	Very low	66 Å²	66	126.9 Å²	126.9	46%	0.462	63%	0.632	S	S	.	*			trans	-80.9	71.5	176.2	65	0	0	0	0	112.3	N1152	N1152-S1156 VanDerWaalsContact O-CB 3.28Å; N1152-S1156 WeakPolarHBondContact O-CB 3.49Å; N1152-S1156 PolarHBondContact O-N 3.17Å; N1152-S1156 PolarHBondContact O-OG 3.01Å; N1152-S1156 VanDerWaalsContact O-OG 3.1Å
1157	K	29	Very low	30	Very low	204 Å²	204	126.5 Å²	126.5	89%	0.887	64%	0.635	S	S	*	*			trans	-116.7	40.3	155.2	-86.7	-161.9	171.9	-171	0	113.1	K1155	K1155-K1157 VanDerWaalsContact C-N 3.31Å; K1155-K1157 PolarHBondContact O-N 2.66Å
1158	L	26	Very low	29.7	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	65%	0.648	S	S	*	*				-65.4	145.5	128.7	-113.4	70.6	0	0	0	107.1
1159	I	27.1	Very low	29.6	Very low	134 Å²	134	133.2 Å²	133.2	69%	0.687	66%	0.658	S	S	*	*	S	Bend	cis	-135	143.7	19.8	-66.4	-178.4	0	0	0	110.4
1160	N	29.1	Very low	29.3	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	67%	0.667	S	S	*	*			trans	44.3	133.8	159.7	-58.5	-0.9	0	0	0	122
1161	S	27.9	Very low	29.2	Very low	94 Å²	94	134.8 Å²	134.8	66%	0.657	67%	0.67	S	S	*	*			trans	-65.8	-173.5	152.4	50.3	0	0	0	0	112.7
1162	D	29.2	Very low	29	Very low	122 Å²	122	138.2 Å²	138.2	65%	0.652	69%	0.69	S	S	*	*			trans	81.9	96.4	160.1	-62	-67.4	0	0	0	118.6
1163	N	27.5	Very low	28.8	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	70%	0.697	S	S	*	*				51.9	130.6	107.8	-64.4	-51.2	0	0	0	118.8
1164	N	27.9	Very low	28.5	Very low	117 Å²	117	141.2 Å²	141.2	63%	0.626	71%	0.707	S	S	*	*			trans	70	147.1	158.3	-65.4	-26.7	0	0	0	116.7
1165	W	25.6	Very low	28.3	Very low	204 Å²	204	142.4 Å²	142.4	77%	0.773	72%	0.72	S	S	*	*			cis	-144.1	147.9	-9.2	-91.5	-52.7	0	0	0	108.9	N1167	W1165-N1167 VanDerWaalsContact C-N 3.28Å; W1165-N1167 HydrophobicContact CB-CB 4.03Å; W1165-N1167 HydrophobicContact CG-CB 4.49Å; W1165-N1167 PolarHBondContact O-N 2.87Å; W1165-N1167 VanDerWaalsContact O-N 3.17Å
1166	I	23.3	Very low	27.7	Very low	174 Å²	174	140.9 Å²	140.9	89%	0.892	72%	0.724	S	S	*	*			trans	-74.6	95.5	141.1	-64.5	-180	0	0	0	106
1167	N	26.7	Very low	27.8	Very low	130 Å²	130	145.4 Å²	145.4	70%	0.695	74%	0.743	S	S	*	*			trans	-141.1	119.5	158.5	-146.4	-10.2	0	0	0	109.2	W1165 N1169	W1165-N1167 VanDerWaalsContact C-N 3.28Å; W1165-N1167 HydrophobicContact CB-CB 4.03Å; W1165-N1167 HydrophobicContact CG-CB 4.49Å; W1165-N1167 PolarHBondContact O-N 2.87Å; W1165-N1167 VanDerWaalsContact O-N 3.17Å; N1167-N1169 PolarHBondContact O-N 2.93Å
1168	K	26.4	Very low	27.8	Very low	178 Å²	178	143.6 Å²	143.6	77%	0.774	74%	0.741	S	S	*	*			trans	-70.1	124.6	175.1	-64	172.9	178.6	174.2	0	107.3
1169	N	28.1	Very low	27.8	Very low	132 Å²	132	143.9 Å²	143.9	71%	0.706	74%	0.743	S	S	*	*				171.3	136.1	111.7	-83.9	-31.9	0	0	0	114.8	N1167	N1167-N1169 PolarHBondContact O-N 2.93Å
1170	H	30.9	Very low	27.8	Very low	150 Å²	150	144.8 Å²	144.8	69%	0.694	75%	0.75	S	S	*	*			trans	61.5	116.4	147.8	-63	-49.3	0	0	0	123
1171	H	29.1	Very low	27.8	Very low	147 Å²	147	146 Å²	146	68%	0.681	76%	0.755	S	S	*	*				34.8	120.8	125.2	-57.3	-57.2	0	0	0	118.6
1172	N	29.4	Very low	27.7	Very low	134 Å²	134	146.7 Å²	146.7	72%	0.717	76%	0.759	S	S	*	*				-156.9	134.6	63.5	-93.7	-53.5	0	0	0	110.9
1173	N	28.5	Very low	27.5	Very low	124 Å²	124	148.6 Å²	148.6	66%	0.663	77%	0.769	S	S	*	*				51.3	90.8	96	-67.5	-7.5	0	0	0	114.4
1174	N	27.7	Very low	27.7	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	76%	0.762	S	S	*	*				159.6	94.1	122.7	-78.7	-13.1	0	0	0	111.3
1175	D	28.4	Very low	27.8	Very low	156 Å²	156	147.7 Å²	147.7	83%	0.834	77%	0.77	S	S	*	*			trans	-164.9	142.9	138.9	-110	-27.6	0	0	0	112.4	L1177	D1175-L1177 PolarHBondContact O-N 2.92Å
1176	P	26.2	Very low	28.1	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	77%	0.765	S	S	*	*	S	Bend	trans	-99.1	68.3	-163.3	39.1	-36.5	0	0	0	114.2
1177	L	29.7	Very low	28.6	Very low	162 Å²	162	141.9 Å²	141.9	85%	0.848	76%	0.756	S	S	*	*			trans	-122.3	-7.7	173.4	-77.5	173.4	0	0	0	115.6	D1175	D1175-L1177 PolarHBondContact O-N 2.92Å
1178	I	28.8	Very low	28.8	Very low	166 Å²	166	141.4 Å²	141.4	85%	0.851	75%	0.75	S	S	*	*	S	Bend	trans	-106.8	64.9	-178.9	-46.5	180	0	0	0	110.1
1179	N	26.5	Very low	29.2	Very low	155 Å²	155	139.9 Å²	139.9	83%	0.829	75%	0.745	S	S	*	*	S	Bend	trans	-153.1	4.2	177.3	-110.6	-16.4	0	0	0	116.2
1180	N	28	Very low	29.5	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	74%	0.74	S	S	*	*	S	Bend	trans	-122.4	11	-178.5	-85.2	-8.6	0	0	0	114.5
1181	L	28.3	Very low	29.6	Very low	175 Å²	175	136.3 Å²	136.3	92%	0.916	73%	0.734	S	S	*	*			trans	-109.8	54.2	169.3	-89.3	80.5	0	0	0	111.1
1182	C	24.6	Very low	29.8	Very low	108 Å²	108	136.2 Å²	136.2	73%	0.73	73%	0.731	S	S	*	*	S	Bend	trans	-131.5	142.9	156.3	-74.9	0	0	0	0	106.4
1183	N	25.5	Very low	30.2	Very low	163 Å²	163	135.2 Å²	135.2	87%	0.872	73%	0.73	S	S	*	*			trans	76.3	72.5	-172.4	-44.2	-24.9	0	0	0	115.6
1184	S	31.5	Very low	30.3	Very low	78 Å²	78	135 Å²	135	55%	0.545	73%	0.728	S	S	.	*			trans	-137.4	130.8	142.9	77.7	0	0	0	0	110.5	E1186	S1184-E1186 VanDerWaalsContact CB-OE2 3.29Å; S1184-E1186 WeakPolarHBondContact CB-OE2 3.45Å; S1184-E1186 PolarHBondContact O-N 3.26Å; S1184-E1186 PolarHBondContact OG-OE2 3.29Å; S1184-E1186 VanDerWaalsContact OG-OE2 3.09Å
1185	N	29.8	Very low	30.6	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	72%	0.716	S	S	*	*			trans	-90.1	20.8	-173	-65.6	-8.7	0	0	0	112.3
1186	E	33.2	Very low	30.8	Very low	141 Å²	141	129.4 Å²	129.4	66%	0.659	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-12.2	-160.8	-63.3	168.9	135.8	0	0	113.5	S1184	S1184-E1186 VanDerWaalsContact CB-OE2 3.29Å; S1184-E1186 WeakPolarHBondContact CB-OE2 3.45Å; S1184-E1186 PolarHBondContact O-N 3.26Å; S1184-E1186 PolarHBondContact OG-OE2 3.29Å; S1184-E1186 VanDerWaalsContact OG-OE2 3.09Å
1187	T	33.1	Very low	31.1	Very low	115 Å²	115	130.1 Å²	130.1	71%	0.706	70%	0.704	S	S	*	*	H	α-helix	trans	-84	-14.8	178.8	49.3	0	0	0	0	114.1
1188	E	30.8	Very low	31.5	Very low	121 Å²	121	124.5 Å²	124.5	57%	0.565	68%	0.678	S	S	*	*	H	α-helix	trans	-94.9	-13.6	-173.1	-145	-164.7	-127.1	0	0	114.3	K1192	E1188-K1192 WeakPolarHBondContact O-CD 3.39Å; E1188-K1192 VanDerWaalsContact O-CE 3.25Å; E1188-K1192 WeakPolarHBondContact O-CE 3.41Å; E1188-K1192 PolarHBondContact O-NZ 3.36Å; E1188-K1192 IonicContact OE2-NZ 2.7Å; E1188-K1192 PolarHBondContact OE2-NZ 3.05Å
1189	E	34.5	Very low	31.7	Very low	146 Å²	146	120.7 Å²	120.7	68%	0.682	66%	0.659	S	S	*	*	H	α-helix	trans	-83.3	-35.2	174.1	-71.6	-164	124.4	0	0	112.7	I1191 K1192	E1189-I1191 VanDerWaalsContact C-N 3.26Å; E1189-I1191 PolarHBondContact O-N 3.03Å; E1189-K1192 PolarHBondContact O-N 3.49Å
1190	V	34.9	Very low	32.2	Very low	99 Å²	99	118.5 Å²	118.5	60%	0.6	65%	0.651	S	S	*	*	H	α-helix	trans	-60.2	-37.1	-176.3	-177	0	0	0	0	111.8	K1192 T1193	V1190-K1192 VanDerWaalsContact C-N 3.32Å; V1190-K1192 PolarHBondContact O-N 3.05Å; V1190-T1193 PolarHBondContact O-OG1 3.15Å
1191	I	33.7	Very low	32.5	Very low	108 Å²	108	113.4 Å²	113.4	55%	0.554	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-70.1	-28.4	179.9	-59.3	176.5	0	0	0	111.7	E1189 T1193	E1189-I1191 VanDerWaalsContact C-N 3.26Å; E1189-I1191 PolarHBondContact O-N 3.03Å; I1191-T1193 VanDerWaalsContact C-N 3.25Å; I1191-T1193 PolarHBondContact O-N 3.33Å
1192	K	33.9	Very low	32.8	Very low	145 Å²	145	111.9 Å²	111.9	63%	0.63	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-79.5	2.1	-175.4	-66.3	169.5	-172.3	157.7	0	114.3	E1188 E1189 V1190	E1188-K1192 WeakPolarHBondContact O-CD 3.39Å; E1188-K1192 VanDerWaalsContact O-CE 3.25Å; E1188-K1192 WeakPolarHBondContact O-CE 3.41Å; E1188-K1192 PolarHBondContact O-NZ 3.36Å; E1188-K1192 IonicContact OE2-NZ 2.7Å; E1188-K1192 PolarHBondContact OE2-NZ 3.05Å; E1189-K1192 PolarHBondContact O-N 3.49Å; V1190-K1192 VanDerWaalsContact C-N 3.32Å; V1190-K1192 PolarHBondContact O-N 3.05Å
1193	T	37.1	Very low	33.3	Very low	112 Å²	112	111.7 Å²	111.7	69%	0.687	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-112.3	-0.8	-173.9	60.4	0	0	0	0	115.2	V1190 I1191	V1190-T1193 PolarHBondContact O-OG1 3.15Å; I1191-T1193 VanDerWaalsContact C-N 3.25Å; I1191-T1193 PolarHBondContact O-N 3.33Å
1194	L	31.1	Very low	33.7	Very low	120 Å²	120	109.2 Å²	109.2	63%	0.628	60%	0.602	S	S	*	*	S	Bend	trans	-85.3	129.5	-180	-83.9	152.8	0	0	0	112.2
1195	P	32.8	Very low	33.8	Very low	84 Å²	84	110.8 Å²	110.8	55%	0.545	61%	0.605	S	S	.	*			trans	-63.6	138.1	175.5	-23	34.2	0	0	0	112.6	D1197 S1198	P1195-D1197 PolarHBondContact O-N 3.27Å; P1195-D1197 VanDerWaalsContact O-N 3.1Å; P1195-S1198 VanDerWaalsContact O-CB 3.3Å; P1195-S1198 WeakPolarHBondContact O-CB 3.22Å; P1195-S1198 PolarHBondContact O-N 3.21Å; P1195-S1198 PolarHBondContact O-OG 2.97Å
1196	T	32.4	Very low	34	Very low	106 Å²	106	108.8 Å²	108.8	65%	0.65	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-54	-31.7	-176.6	42.7	0	0	0	0	114.5	S1198 I1199	T1196-S1198 PolarHBondContact O-N 3.24Å; T1196-S1198 VanDerWaalsContact O-N 3.15Å; T1196-I1199 PolarHBondContact O-N 2.88Å; T1196-I1199 VanDerWaalsContact O-N 3.16Å
1197	D	34	Very low	34.1	Very low	129 Å²	129	106.9 Å²	106.9	69%	0.69	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-59.1	-27.8	179.3	-60.4	-15.2	0	0	0	112.4	P1195	P1195-D1197 PolarHBondContact O-N 3.27Å; P1195-D1197 VanDerWaalsContact O-N 3.1Å
1198	S	38.1	Very low	34.1	Very low	43 Å²	43	106.4 Å²	106.4	30%	0.301	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-65.9	-37.3	179.4	-38.3	0	0	0	0	112.7	P1195 T1196 T1200 S1201 I1202	P1195-S1198 VanDerWaalsContact O-CB 3.3Å; P1195-S1198 WeakPolarHBondContact O-CB 3.22Å; P1195-S1198 PolarHBondContact O-N 3.21Å; P1195-S1198 PolarHBondContact O-OG 2.97Å; T1196-S1198 PolarHBondContact O-N 3.24Å; T1196-S1198 VanDerWaalsContact O-N 3.15Å; S1198-T1200 VanDerWaalsContact C-N 3.32Å; S1198-T1200 PolarHBondContact O-N 3.28Å; S1198-S1201 PolarHBondContact O-N 3.32Å; S1198-S1201 VanDerWaalsContact O-N 3.12Å; S1198-I1202 WeakPolarHBondContact O-CG1 3.31Å; S1198-I1202 PolarHBondContact O-N 3.3Å
1199	I	32.4	Very low	34.3	Very low	87 Å²	87	105.4 Å²	105.4	45%	0.446	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-66.6	-39.3	-176.3	-59	175.9	0	0	0	109.9	T1196 S1201 I1202 T1203	T1196-I1199 PolarHBondContact O-N 2.88Å; T1196-I1199 VanDerWaalsContact O-N 3.16Å; I1199-S1201 PolarHBondContact O-N 3.13Å; I1199-S1201 VanDerWaalsContact O-N 3.15Å; I1199-I1202 PolarHBondContact O-N 3.32Å; I1199-T1203 PolarHBondContact O-N 3.27Å; I1199-T1203 VanDerWaalsContact O-N 3.09Å; I1199-T1203 PolarHBondContact O-OG1 3.03Å
1200	T	37.3	Very low	34.3	Very low	109 Å²	109	102.5 Å²	102.5	67%	0.669	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-70.5	-2.4	176.3	-20.3	0	0	0	0	114.3	S1198	S1198-T1200 VanDerWaalsContact C-N 3.32Å; S1198-T1200 PolarHBondContact O-N 3.28Å
1201	S	33.7	Very low	34.3	Very low	45 Å²	45	102.8 Å²	102.8	32%	0.315	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-115.1	1.2	170.8	-176	0	0	0	0	112.9	S1198 I1199	S1198-S1201 PolarHBondContact O-N 3.32Å; S1198-S1201 VanDerWaalsContact O-N 3.12Å; I1199-S1201 PolarHBondContact O-N 3.13Å; I1199-S1201 VanDerWaalsContact O-N 3.15Å
1202	I	34.9	Very low	34.3	Very low	144 Å²	144	102.3 Å²	102.3	74%	0.738	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-23.7	172.7	-68.5	166.3	0	0	0	110.5	S1198 I1199	S1198-I1202 WeakPolarHBondContact O-CG1 3.31Å; S1198-I1202 PolarHBondContact O-N 3.3Å; I1199-I1202 PolarHBondContact O-N 3.32Å
1203	T	34.5	Very low	34.4	Very low	104 Å²	104	98.5 Å²	98.5	64%	0.638	57%	0.573	S	S	*	*			trans	-87.2	0	165	38.4	0	0	0	0	112.4	M1105 I1199	M1105-T1203 HydrophobicContact CE-CG2 3.73Å; I1199-T1203 PolarHBondContact O-N 3.27Å; I1199-T1203 VanDerWaalsContact O-N 3.09Å; I1199-T1203 PolarHBondContact O-OG1 3.03Å

Retrieved 1,203 of 1,203 residues in 216.8 ms (Link to these results)

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