A0A5K4FB13_SCHMA Loading...

RabBD domain-containing protein AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A5K4FB13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,344 aa.

						>A0A5K4FB13_SCHMA|A0A5K4FB13
MGNETSQTLGQQNINKNDDDVNHKRSQSLQRDLTNCPIQNISDTGISSLLPNSRKSQSQISLNETFKTNDYSQDKSNSKLITDTSTTTEIALLKTVQMELTDDEKERIQQVLARARLIEMNEDKRVTKLQTELKRTEQVVKRRVSLSNQDVTKQVYCCLLCEQTPLPEGQYSEQNWKVCHDCQNTLCPNCVVQIGKNVDSEMFWLCKLCQKKRQLTVSSGSWLQGLPKNNNNKQTKELQKLIKKTHGITRTASYSQYEDLIDQVSLEESTVNSGDQDEHEGEEEKEEEEWKQLTQKDNTQLIKSHQYSILKNIHQRRASEQSSIKNVVKSTHQPYHSIKDDQPVYSEARKVSMRQKFLHGNDAVIHDDDDDVDRDNYKNLTYQNRMHLYFTKQITEQFSVDNDVDDNGYEKEDQKCDEESNESNENDHFKEINLHSNKLSPIVQRSHHEECYEGTNMIDEIQKITPTVIIDEKASETKNFVQSTYTNVPYDNNDQTVVSLCTASPTNILSHHHTDRQQFIPQDYVISSTDYLNTPYDLHNNSNSSQGHSIESNHDIITSNYNENMIESFNFYLINHKDYQLDEDLFKIYQNLQQSSLKQTSNQLSMDQVGLIIPQYNSSNEYNEDIDHQNLLLPINWENKSYHLQMNNQIRRQSCPIITDSVSSPSPSSSSNQVIRQQPSFTTPSSYFEDIHSGEDVDDEEKLIHLYDDQHDSYDPNILYNHEIHSNHLNLFFPYNLNESWDYTEDLRKIDENIYQRTTIPCKTTDLNTTTYDTVTSSIFNENENNILYTAISTRTTNVTSIESYYIDKTIQPLYKDQDINFKPSMNDLYLNWLNELNPGYNSMNQQDTSYNVNKHEDYMSESSLMNDTGLQGTSVSNLITTTTTSGNINVETTEQNHLLLKRCPNFENISRLSNNNNNIQLTEKSESFYEGLMQLSEIINDEKEDLEMNNDTPTKVWGREFRDRLQISDISTCLPSNLFDDIKPELEIWSNLFNTSEIVVDTAREVSTQLNLLSTLEEDDIKEEGNEWKKKREDTVRKQEENKKDNEENRIDHVQCDKNDKTLIDSRNYTFITTLENDKQDTLKDNEMNEDNEKHDSTSSNHSSTKPYTTHMENDTELNDPERIPTQLKTQIVSEENVISQPFNYEKVSENNVITNEKADHLAFLDTPSLITYKSNESNHMIMSNQNIKFKCEENQFLHTSLPIDKLTENSKQREEKLVNTKGNLYHSDIFESYEHVILTMNSPTSLDNNYSAYIKCPDNMDEKKGIIHETFYPYHQYEQQQLTEDNQTHTYLNNKQQQQQYYYYPLIQFKKEGSHLELTNNHKEMKKSNSIFLTSFLNSNSNKIDSIDQSLNLNHLQYSFNKLNIELNHEKNKTNIKQNDNENLSIINNQSLKSIENSNNLVTFSDTTQNLFTIPHNNNNTITPVCFGIETKQQQQPTYTTQSLSLTKPLYYIHENLLKRAKFILSNSLLINEPDPTDTLLALTEDNNSNNNNQSHRSSNINLNQSSIKNYFLSLSCPQSINDQSINNQLINDNYDTLSESSNFSIHIPITNSIEDETNFNFKKIYTNNKHLWKSLHSQWYIHILKRIIEEAEFTTITEQTIDYDNFPTKYMSSSSSSRGSYFGNQGGRRRRRPHSSAYSYEVNSLIDDLPGLYESPNSSSSIIQSGYSYNHRSLHDVYPDRYIKSFNDNDDDDNYRINFKPSSKSNLKYSYDSRPYRSYSEASTSHHHYHHPQKDRSGLASIIRHDRRNKLGLIHHSSNRSKHTKLNDVETVLQQRILKDPNRNLKSIEFEKSKDFMYPSRLNKNYQDYETSHRIKRGNLRSYTPTYKSFYTPQTKWSNDSNYLEVGSYFSLPLNDYHRKGIKHSRPTLLTNQRYDLSSIELPIHQKVSSDEWNKSDHYLTRRIGNLSKSTGHLSHLDDLNKFSNCTSMQTLRARLAAAHSEFNLDQHENISDSFESRKFNNNNKFGSLDYQTDSNDFTTRQLRQQVEQHHRRLLKSLMSDEPYESSWPSSFSNFDLQGYLNSYCDESEMRPTTLISSTLAPPIFSTASTRLPLSIEQGKIDETIVEPINYLSTTDQQFLPISNMLTTSNLNSTTPVALPNQVPLSNNLADNIMNNTIINQPTSVSLNEQIPISNNTLVDLINNPDFIQALTYNPELINQINSMCLDLAPADLNQVTLAAVAGAIAATAVAGSGMLDSNTTTDNTNNVITCQPTNEQIINDLLLNAITSDQMTNYLNTGNFISNNNTTDLINNVSSINSTYLNTMNLPNSQIISDITNNNSNIPRMNTSLPDGNSSVDNINPESIDILIEQVRKLLNEQNKCDLINPITSINNININDNNNNTTITTTISSSSSMPLNNPLISSLPSSIHQTSQSIMTEDKIQNPVDIYCNNYQKSLKPIHNQSINEVNKQQYNQISNETMDNWHGLSEDEWNYKTYKDNTKIPNSWIDSNTTWPSFNPVTSNKPRSLIQSTKCTYDFPTKRLLLMREFRDRYQRGGGIGMRIVGGHIRSDGNLGAFVEEIYPSGPADQLHGEIKEGYAKVMCDSSLNDRHSSFLDSDTLCWNPLMYGFIIISANAFFSQLEARFLNHEHTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTPLLLYFSLYCCLSAFCFKCINLNDRRNDSMHIEFCFILKSIHIGDEILEWNSIPLVGKTFEEVQAIISQVSEETELLVRADYTQGDDEDDEGEDDGEEIEDEEDDEDEEYDEEYLDDDDDDEDATSLMKTCGSGSTGNSGQTNRTHALCHHHAAQHALMSQSKGPPICPHIRQHYLSMPTSDHRSVSQVPHKLHSKNEQQIQEEDIEESGLTLNNNTMNWLESNSPKKSINQSSSSSTVQDSKYTKQSNISDTDKINNSRRSSKGGRLNGPRGSRSSNNEKNDDTIEYGEIELILTFDDYDQSLTVHVARARNLPAMDLNGLADPFVKVRLHPDPTEDPDFNRQTKYMPNTLTPEWQQTVVFMNCIKRTLKRRVLEVTVWDFDRLKTNDFMGQTIINLGDKEYLDGKPHWFSLHGLMPVVIPVPKKSVSSSKTSSDSSRQAKSSKDSSSRRSTVNKSPKDQLHSQRIST
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 11 Fragment Structures AlphaSync Parameters PDBs Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	34.8	Very low	241 Å²	241	131.6 Å²	131.6	100%	1.187	75%	0.754	S	S	*	*				0	124.5	0	-43.2	-165	-54.7	0	0	106.4
2	G	37	Very low	34.7	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	75%	0.753	S	S	*	*			cis	-117.5	166.1	-22.4	0	0	0	0	0	109.3
3	N	35.6	Very low	34.2	Very low	135 Å²	135	135 Å²	135	72%	0.722	76%	0.757	S	S	*	*			cis	68	129.4	41.4	-56.8	58.6	0	0	0	111.1
4	E	34.5	Very low	34.2	Very low	153 Å²	153	136.7 Å²	136.7	72%	0.715	76%	0.761	S	S	*	*			cis	-151.9	148.7	-0.5	-101.4	145.4	-144.8	0	0	108.4
5	T	35.7	Very low	33.9	Very low	104 Å²	104	137.1 Å²	137.1	64%	0.638	76%	0.761	S	S	*	*				59.8	132.3	82.8	-28.9	0	0	0	0	112.8	Q7	T5-Q7 HydrophobicContact CG2-CG 4.34Å
6	S	36.7	Very low	34	Very low	96 Å²	96	141.3 Å²	141.3	67%	0.671	77%	0.769	S	S	*	*			cis	-155.4	144.2	46.4	-51.8	0	0	0	0	113.1
7	Q	35.9	Very low	33.8	Very low	162 Å²	162	140.9 Å²	140.9	76%	0.757	77%	0.766	S	S	*	*				62.8	145.6	95.5	-49.8	172.2	16.2	0	0	115.3	T5	T5-Q7 HydrophobicContact CG2-CG 4.34Å
8	T	33.4	Very low	33.9	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	77%	0.773	S	S	*	*			cis	-136	157.8	9.5	44.6	0	0	0	0	109.3
9	L	29.9	Very low	33.8	Very low	149 Å²	149	142.3 Å²	142.3	78%	0.78	77%	0.772	S	S	*	*			cis	113.7	109	11	-167.2	155.5	0	0	0	113.8
10	G	35.4	Very low	34	Very low	65 Å²	65	143.1 Å²	143.1	67%	0.67	78%	0.776	S	S	*	*			trans	169	96.5	172	0	0	0	0	0	109
11	Q	32.7	Very low	34	Very low	154 Å²	154	141.4 Å²	141.4	72%	0.72	77%	0.77	S	S	*	*				67.7	127.6	81.9	-70.1	-166.8	18.9	0	0	112.9
12	Q	33.6	Very low	33.7	Very low	157 Å²	157	135.9 Å²	135.9	73%	0.734	75%	0.745	S	S	*	*			cis	-149.2	152.5	13.3	-107.2	156.7	51.5	0	0	112
13	N	28	Very low	33.5	Very low	150 Å²	150	140 Å²	140	80%	0.802	75%	0.746	S	S	*	*			trans	-79.8	158.7	159.7	-63.9	-47.7	0	0	0	110.1
14	I	34.8	Very low	33.5	Very low	159 Å²	159	143.2 Å²	143.2	82%	0.815	75%	0.754	S	S	*	*			trans	-167.3	137.5	135.3	-101.8	149.7	0	0	0	110.7
15	N	29.2	Very low	33.2	Very low	142 Å²	142	146.2 Å²	146.2	76%	0.759	76%	0.759	S	S	*	*			trans	-84	159.2	177.4	-46.7	-28.2	0	0	0	111.3
16	K	36.2	Very low	33.1	Very low	204 Å²	204	146.5 Å²	146.5	89%	0.887	77%	0.765	S	S	*	*				-169.9	152.6	126.2	-103.8	153.5	-172.3	-178.7	0	113.3
17	N	29.3	Very low	33	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	77%	0.772	S	S	*	*			trans	-80.8	168.8	166.8	-43.9	-9.2	0	0	0	109.1
18	D	37.2	Very low	32.7	Very low	166 Å²	166	148.2 Å²	148.2	89%	0.888	78%	0.775	S	S	*	*				-163.5	153.2	126.5	-88.6	-30.5	0	0	0	108.8
19	D	31.4	Very low	32.6	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	78%	0.782	S	S	*	*			trans	-102.9	143.8	-173.4	-58.3	-80.1	0	0	0	112.7
20	D	37.3	Very low	32.5	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	78%	0.782	S	S	*	*			trans	179.9	141.7	145.2	-99	-21.8	0	0	0	108.8
21	V	34.3	Very low	32.4	Very low	108 Å²	108	159.6 Å²	159.6	66%	0.655	79%	0.793	S	S	*	*			cis	123.3	117.2	7.5	165.5	0	0	0	0	111.9
22	N	30.9	Very low	32.2	Very low	125 Å²	125	158.7 Å²	158.7	67%	0.668	79%	0.793	S	S	*	*			trans	77.2	118.6	154.2	-75.3	-22.7	0	0	0	125.2
23	H	32.5	Very low	32.1	Very low	155 Å²	155	158.7 Å²	158.7	72%	0.718	80%	0.797	S	S	*	*				71.5	116.9	124.3	-64.8	-28.2	0	0	0	123.5
24	K	35.6	Very low	32.1	Very low	201 Å²	201	156.5 Å²	156.5	87%	0.874	79%	0.789	S	S	*	*				162.2	134.5	121.3	-83.5	147.8	-167	165.2	0	107.6
25	R	28.5	Very low	31.8	Very low	217 Å²	217	155.6 Å²	155.6	82%	0.819	79%	0.786	S	S	*	*			cis	73.9	93.6	32.7	-164.5	179.5	-178.2	164.4	4.1	116.1
26	S	32.8	Very low	31.8	Very low	110 Å²	110	154.4 Å²	154.4	77%	0.769	79%	0.787	S	S	*	*			trans	-169.7	115.5	146.6	-74.8	0	0	0	0	106.3
27	Q	34.5	Very low	31.6	Very low	175 Å²	175	150 Å²	150	82%	0.818	78%	0.779	S	S	*	*				84.1	133.4	70.3	-81.5	-168.8	-40.2	0	0	115.3
28	S	29.1	Very low	31.5	Very low	119 Å²	119	150.3 Å²	150.3	83%	0.832	78%	0.78	S	S	*	*			trans	-87.2	170.5	-162.4	-21.7	0	0	0	0	114.8
29	L	31.4	Very low	31	Very low	170 Å²	170	150.4 Å²	150.4	89%	0.89	78%	0.775	S	S	*	*			trans	-157.2	144.9	139.8	-107.5	172.9	0	0	0	111.2
30	Q	28.4	Very low	30.9	Very low	165 Å²	165	150.7 Å²	150.7	77%	0.771	78%	0.777	S	S	*	*			trans	-97	162.1	177.3	-65.4	162.8	-90.9	0	0	111.7
31	R	33.3	Very low	30.4	Very low	240 Å²	240	150.5 Å²	150.5	91%	0.906	77%	0.774	S	S	*	*			trans	-160.9	143.2	148	-108	163.1	-158.5	154.3	8	111.4
32	D	28.7	Very low	30.1	Very low	135 Å²	135	149.7 Å²	149.7	72%	0.722	77%	0.773	S	S	*	*			trans	-91.3	166	-175.5	-37.4	-95.7	0	0	0	112.3
33	L	31.4	Very low	30	Very low	156 Å²	156	150 Å²	150	82%	0.817	78%	0.775	S	S	*	*				166.9	99.7	121.6	-86.7	163.4	0	0	0	114.2
34	T	27.6	Very low	29.9	Very low	104 Å²	104	149.2 Å²	149.2	64%	0.638	78%	0.781	S	S	*	*			trans	24.4	127.2	130.2	61.8	0	0	0	0	122
35	N	29.4	Very low	29.7	Very low	141 Å²	141	143 Å²	143	75%	0.754	77%	0.773	S	S	*	*				141.1	134.7	114	-82.1	-28.1	0	0	0	118.6
36	C	27.1	Very low	29.9	Very low	116 Å²	116	141.1 Å²	141.1	78%	0.784	78%	0.778	S	S	*	*			trans	82.6	153.4	139.9	-72.3	0	0	0	0	122
37	P	33.8	Very low	29.6	Very low	111 Å²	111	141 Å²	141	72%	0.721	78%	0.777	S	S	*	*			trans	-140.2	-148.8	-142.3	40.2	-16.6	0	0	0	114.9
38	I	26.1	Very low	29.4	Very low	143 Å²	143	137.7 Å²	137.7	73%	0.733	77%	0.774	S	S	*	*			trans	70.2	143	175.7	-11.3	-175.9	0	0	0	111.7
39	Q	27.8	Very low	29.5	Very low	168 Å²	168	138.5 Å²	138.5	79%	0.785	77%	0.768	S	S	*	*			cis	-164.8	158	30.4	-156.7	137.2	6.4	0	0	113.1
40	N	28	Very low	29.6	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	76%	0.756	S	S	*	*			trans	-72.7	162.4	174.7	-57.2	-2.6	0	0	0	112.3
41	I	27.9	Very low	29.6	Very low	153 Å²	153	134.7 Å²	134.7	79%	0.785	76%	0.76	S	S	*	*				176.4	113.6	122.4	-90.8	155.9	0	0	0	111.6
42	S	28.2	Very low	29.5	Very low	91 Å²	91	129.7 Å²	129.7	64%	0.636	75%	0.751	S	S	*	*			trans	48.3	170.4	134.1	97.3	0	0	0	0	122.5
43	D	28.4	Very low	29.7	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	75%	0.754	S	S	*	*			cis	-157	166.8	7.1	-120.9	-39.2	0	0	0	112.9
44	T	30.3	Very low	29.7	Very low	139 Å²	139	131.6 Å²	131.6	85%	0.853	76%	0.755	S	S	*	*			trans	52.2	152.9	159	53.8	0	0	0	0	120.9
45	G	30.6	Very low	30	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	74%	0.74	S	S	*	*			cis	-159.9	177.9	-7.2	0	0	0	0	0	107.5
46	I	32.6	Very low	30.2	Very low	178 Å²	178	128.5 Å²	128.5	91%	0.913	74%	0.739	S	S	*	*			cis	-159.4	165.2	37.6	-78	166.6	0	0	0	108.5
47	S	28.1	Very low	30.4	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	74%	0.738	S	S	*	*			trans	-94.2	157.6	-176.3	-51.5	0	0	0	0	115.5
48	S	30.1	Very low	30.3	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	74%	0.741	S	S	*	*				157.7	164.2	111.9	66.5	0	0	0	0	117.6
49	L	30.3	Very low	30.6	Very low	136 Å²	136	131.9 Å²	131.9	71%	0.712	74%	0.743	S	S	*	*			trans	73	130	156.8	-57.9	178.7	0	0	0	124.2
50	L	33.1	Very low	30.8	Very low	122 Å²	122	130.9 Å²	130.9	64%	0.639	74%	0.742	S	S	*	*			trans	58.6	144.5	145.7	-91.6	59.3	0	0	0	123.2	N52	L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.28Å
51	P	28.2	Very low	30.9	Very low	132 Å²	132	128.5 Å²	128.5	86%	0.857	74%	0.736	S	S	*	*			trans	-83.3	69.1	172.1	36.9	-34.9	0	0	0	111.5
52	N	31.3	Very low	31	Very low	135 Å²	135	128.6 Å²	128.6	72%	0.722	74%	0.738	S	S	*	*			trans	-74.2	151	175.9	-79.9	-7.8	0	0	0	112.4	L50	L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.28Å
53	S	33.8	Very low	31	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	75%	0.745	S	S	*	*			trans	-63.5	140.9	-176.2	-171.1	0	0	0	0	112.3	K55	S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.13Å
54	R	31.2	Very low	31.3	Very low	218 Å²	218	132.9 Å²	132.9	82%	0.823	75%	0.748	S	S	*	*			trans	-75.7	72	176.8	-72.9	-175.5	170.1	-169.2	-5.4	111.3
55	K	34.5	Very low	31.3	Very low	75 Å²	75	131.9 Å²	131.9	33%	0.326	74%	0.742	S	S	.	*			trans	-63.6	138	154.6	-78.9	-165.7	175.8	-157.6	0	108.6	S53 Q57 E258 D259 D262	S53-K55 VanDerWaalsContact C-N 3.27Å; S53-K55 PolarHBondContact O-N 3.13Å; K55-Q57 PolarHBondContact O-N 3.12Å; K55-E258 WeakPolarHBondContact CE-OE2 3.37Å; K55-E258 IonicContact NZ-OE2 2.72Å; K55-D259 VanDerWaalsContact CD-OD1 3.32Å; K55-D259 WeakPolarHBondContact CD-OD1 3.3Å; K55-D259 WeakPolarHBondContact CE-OD1 3.49Å; K55-D259 IonicContact NZ-OD1 2.64Å; K55-D259 PolarHBondContact NZ-OD1 2.98Å; K55-D262 IonicContact NZ-OD2 3Å; K55-D262 PolarHBondContact NZ-OD2 3.43Å
56	S	32.1	Very low	31.4	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	75%	0.746	S	S	*	*			trans	-86.1	93.6	-175.3	50.9	0	0	0	0	112.1	S58	S56-S58 PolarHBondContact O-N 2.95Å
57	Q	32.9	Very low	31.3	Very low	164 Å²	164	137.3 Å²	137.3	77%	0.766	74%	0.74	S	S	*	*			trans	-67	122.7	175.4	-76.5	-174.5	-20.5	0	0	112	K55	K55-Q57 PolarHBondContact O-N 3.12Å
58	S	30.9	Very low	31.6	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	74%	0.741	S	S	*	*			trans	-121.8	69.2	166.1	50.7	0	0	0	0	109.6	S56 I60	S56-S58 PolarHBondContact O-N 2.95Å; S58-I60 PolarHBondContact O-N 2.95Å
59	Q	33.3	Very low	31.9	Very low	165 Å²	165	140.2 Å²	140.2	77%	0.771	74%	0.743	S	S	*	*			trans	-71	116	176	-71.2	-172.6	-8.5	0	0	110.5
60	I	30.4	Very low	32	Very low	147 Å²	147	140.6 Å²	140.6	75%	0.754	75%	0.746	S	S	*	*			trans	-106.2	100.4	162.3	-59.7	179	0	0	0	106.4	S58 L62	S58-I60 PolarHBondContact O-N 2.95Å; I60-L62 HydrophobicContact CG2-CD2 4.34Å; I60-L62 HydrophobicContact CG2-CG 4.15Å
61	S	30.7	Very low	32.1	Very low	98 Å²	98	145 Å²	145	69%	0.685	76%	0.756	S	S	*	*			trans	-79	125.5	170.8	-170.3	0	0	0	0	109.4
62	L	30.6	Very low	32.6	Very low	156 Å²	156	143.2 Å²	143.2	82%	0.817	75%	0.746	S	S	*	*			trans	-116.6	71.5	173.7	-72	179.2	0	0	0	110.3	I60	I60-L62 HydrophobicContact CG2-CD2 4.34Å; I60-L62 HydrophobicContact CG2-CG 4.15Å
63	N	28.6	Very low	32.9	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	75%	0.751	S	S	*	*			trans	-119.3	79.6	172.4	-91.3	-19.7	0	0	0	110.6
64	E	34.3	Very low	33.1	Very low	166 Å²	166	145.9 Å²	145.9	78%	0.776	75%	0.746	S	S	*	*			trans	-117.2	119.5	163.6	-73	-154.5	143.4	0	0	111	F66	E64-F66 HydrophobicContact CB-CD2 4.45Å; E64-F66 HydrophobicContact CB-CE2 4.15Å
65	T	29.9	Very low	33.5	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.724	74%	0.742	S	S	*	*			trans	-99.3	104.3	-175.7	-63.8	0	0	0	0	110.8	K67	T65-K67 HydrophobicContact CG2-CG 4.37Å
66	F	33	Very low	33.7	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.794	76%	0.764	S	S	*	*			trans	-102.7	93.5	172.7	-77.8	-76.4	0	0	0	112.7	E64	E64-F66 HydrophobicContact CB-CD2 4.45Å; E64-F66 HydrophobicContact CB-CE2 4.15Å
67	K	31.2	Very low	33.7	Very low	180 Å²	180	148 Å²	148	78%	0.783	77%	0.77	S	S	*	*			trans	-82.5	125	160.7	-66.6	172.6	179.4	171.5	0	109	T65	T65-K67 HydrophobicContact CG2-CG 4.37Å
68	T	34.1	Very low	33.8	Very low	125 Å²	125	146 Å²	146	77%	0.767	77%	0.774	S	S	*	*				-174.4	120.2	128.6	25.1	0	0	0	0	113.8
69	N	34.8	Very low	34.1	Very low	149 Å²	149	150.5 Å²	150.5	80%	0.797	78%	0.779	S	S	*	*			trans	55.1	120.6	134.5	-55.5	-2.9	0	0	0	122
70	D	33.9	Very low	34.2	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	78%	0.78	S	S	*	*			trans	-43.2	142	162.7	-43	-58.8	0	0	0	115.7
71	Y	35.6	Very low	34.6	Very low	216 Å²	216	150.9 Å²	150.9	85%	0.847	79%	0.785	S	S	*	*				-179.3	134.2	98.9	-114.9	-98.8	0	0	0	114.1
72	S	37.7	Very low	35.1	Very low	93 Å²	93	150.8 Å²	150.8	65%	0.65	78%	0.781	S	S	*	*			trans	68	124.7	148.7	-79.8	0	0	0	0	124
73	Q	38.4	Very low	35.8	Very low	179 Å²	179	148.1 Å²	148.1	84%	0.836	77%	0.768	S	S	*	*			trans	87.8	91.4	134.6	-69.7	-173.9	-40.7	0	0	122.5
74	D	37.4	Very low	36.7	Very low	126 Å²	126	146.2 Å²	146.2	67%	0.674	76%	0.761	S	S	*	*				55.4	92.4	106.4	-125.3	44.2	0	0	0	119.2
75	K	39.7	Very low	37.3	Very low	169 Å²	169	142.1 Å²	142.1	74%	0.735	75%	0.751	S	S	*	*				168.8	162.8	100.8	-90.1	170	177.4	71.8	0	116
76	S	38.4	Very low	38.2	Very low	112 Å²	112	140 Å²	140	78%	0.783	74%	0.738	S	S	*	*			trans	70.2	80.5	162	34.8	0	0	0	0	118.8
77	N	32.7	Very low	39	Very low	162 Å²	162	136.1 Å²	136.1	87%	0.866	73%	0.729	S	S	*	*			trans	-30.1	136.9	157.3	-39.9	-10.8	0	0	0	115.9
78	S	35.3	Very low	39.9	Very low	122 Å²	122	131.3 Å²	131.3	85%	0.853	72%	0.715	S	S	*	*				-174.4	48.2	129.5	67.4	0	0	0	0	114.9
79	K	36.7	Very low	40.8	Very low	207 Å²	207	131.1 Å²	131.1	90%	0.9	71%	0.705	S	S	*	*			trans	-155.7	80.7	175.2	-153.3	180	-174.5	-171.1	0	113.6
80	L	34.6	Very low	41.8	Very low	150 Å²	150	128.2 Å²	128.2	79%	0.785	69%	0.689	S	S	*	*			trans	-174.2	81.2	167.1	-107.1	158.6	0	0	0	109.2
81	I	39	Very low	42.8	Very low	169 Å²	169	123.8 Å²	123.8	87%	0.867	67%	0.672	S	S	*	*			trans	-141.9	59.1	167.5	-46.6	179.4	0	0	0	108.5
82	T	40.5	Very low	43.9	Very low	97 Å²	97	118.2 Å²	118.2	60%	0.595	66%	0.656	S	S	*	*			trans	-135.5	176.9	161.9	52.4	0	0	0	0	107.4	T84	T82-T84 PolarHBondContact O-N 2.93Å
83	D	46.1	Very low	44.6	Very low	100 Å²	100	119.8 Å²	119.8	54%	0.535	66%	0.657	S	S	.	*	S	Bend	trans	83.9	-30.6	167.2	-40.6	-10.2	0	0	0	116.3	S85 T86 T87	D83-S85 VanDerWaalsContact C-N 3.27Å; D83-S85 PolarHBondContact O-N 3.19Å; D83-T86 PolarHBondContact O-N 3.1Å; D83-T86 PolarHBondContact O-OG1 2.63Å; D83-T87 PolarHBondContact O-N 2.99Å; D83-T87 PolarHBondContact O-OG1 2.78Å
84	T	46.5	Very low	45.5	Very low	105 Å²	105	115.5 Å²	115.5	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-66.8	-25.5	176.2	55.8	0	0	0	0	114	T82 T88	T82-T84 PolarHBondContact O-N 2.93Å; T84-T88 PolarHBondContact O-N 3.43Å; T84-T88 PolarHBondContact O-OG1 2.88Å
85	S	48.6	Very low	46.2	Very low	80 Å²	80	114.5 Å²	114.5	56%	0.559	63%	0.634	S	S	*	*	H	α-helix	trans	-68.3	-46.4	174.1	-65.3	0	0	0	0	111	D83 T87 T88 E89	D83-S85 VanDerWaalsContact C-N 3.27Å; D83-S85 PolarHBondContact O-N 3.19Å; S85-T87 PolarHBondContact O-N 3.37Å; S85-T88 CarbonylContact O-C 3.4Å; S85-T88 WeakPolarHBondContact O-CA 3.44Å; S85-T88 WeakPolarHBondContact O-CB 3.45Å; S85-T88 PolarHBondContact O-N 3.09Å; S85-E89 PolarHBondContact O-N 2.94Å
86	T	49.2	Very low	46.6	Very low	75 Å²	75	111.6 Å²	111.6	46%	0.46	63%	0.63	S	S	.	*	H	α-helix	trans	-62.7	-41.5	-178.9	-8.9	0	0	0	0	111.5	D83 T88 E89 I90	D83-T86 PolarHBondContact O-N 3.1Å; D83-T86 PolarHBondContact O-OG1 2.63Å; T86-T88 VanDerWaalsContact C-N 3.26Å; T86-T88 PolarHBondContact O-N 3Å; T86-E89 PolarHBondContact O-N 3.08Å; T86-I90 WeakPolarHBondContact O-CB 3.32Å; T86-I90 WeakPolarHBondContact O-CD1 3.49Å; T86-I90 VanDerWaalsContact O-CG1 3.25Å; T86-I90 WeakPolarHBondContact O-CG1 3.44Å; T86-I90 PolarHBondContact O-N 3.23Å
87	T	48.4	Very low	47.2	Very low	98 Å²	98	111.5 Å²	111.5	60%	0.601	62%	0.617	S	S	*	*	H	α-helix	trans	-63.3	-33.1	172.8	-42.4	0	0	0	0	112.1	D83 S85 A91	D83-T87 PolarHBondContact O-N 2.99Å; D83-T87 PolarHBondContact O-OG1 2.78Å; S85-T87 PolarHBondContact O-N 3.37Å; T87-A91 WeakPolarHBondContact O-CB 3.16Å; T87-A91 PolarHBondContact O-N 3.33Å
88	T	51.3	Low	48.2	Very low	79 Å²	79	110.5 Å²	110.5	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-76.5	-36.8	177.8	-51.9	0	0	0	0	111.8	T84 S85 T86 A91 L92	T84-T88 PolarHBondContact O-N 3.43Å; T84-T88 PolarHBondContact O-OG1 2.88Å; S85-T88 CarbonylContact O-C 3.4Å; S85-T88 WeakPolarHBondContact O-CA 3.44Å; S85-T88 WeakPolarHBondContact O-CB 3.45Å; S85-T88 PolarHBondContact O-N 3.09Å; T86-T88 VanDerWaalsContact C-N 3.26Å; T86-T88 PolarHBondContact O-N 3Å; T88-A91 PolarHBondContact O-N 2.96Å; T88-L92 HydrophobicContact CG2-CD1 4.08Å; T88-L92 HydrophobicContact CG2-CG 4.45Å; T88-L92 VanDerWaalsContact O-CB 3.27Å; T88-L92 WeakPolarHBondContact O-CB 3.44Å; T88-L92 VanDerWaalsContact O-CG 3.23Å; T88-L92 WeakPolarHBondContact O-CG 3.33Å; T88-L92 PolarHBondContact O-N 3.15Å
89	E	51.2	Low	49.8	Very low	121 Å²	121	113.1 Å²	113.1	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-69.1	-41.4	174.5	-73	171.5	149.2	0	0	111.2	S85 T86 L92 L93	S85-E89 PolarHBondContact O-N 2.94Å; T86-E89 PolarHBondContact O-N 3.08Å; E89-L92 PolarHBondContact O-N 2.57Å; E89-L93 WeakPolarHBondContact O-CB 3.44Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.37Å; E89-L93 PolarHBondContact O-N 3.41Å
90	I	57	Low	51.9	Low	89 Å²	89	106.2 Å²	106.2	46%	0.456	58%	0.581	S	S	.	*	H	α-helix	trans	-64.6	-42.5	172.2	-67.4	163.7	0	0	0	110.6	T86 L92 L93 K94	T86-I90 WeakPolarHBondContact O-CB 3.32Å; T86-I90 WeakPolarHBondContact O-CD1 3.49Å; T86-I90 VanDerWaalsContact O-CG1 3.25Å; T86-I90 WeakPolarHBondContact O-CG1 3.44Å; T86-I90 PolarHBondContact O-N 3.23Å; I90-L92 PolarHBondContact O-N 3.1Å; I90-L93 PolarHBondContact O-N 2.88Å; I90-K94 HydrophobicContact CG2-CD 4.48Å; I90-K94 WeakPolarHBondContact O-CG 3.14Å; I90-K94 PolarHBondContact O-N 3.04Å
91	A	55.6	Low	54.4	Low	50 Å²	50	102.7 Å²	102.7	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-65.2	-37.4	175.1	0	0	0	0	0	112.4	T87 T88 K94 T95	T87-A91 WeakPolarHBondContact O-CB 3.16Å; T87-A91 PolarHBondContact O-N 3.33Å; T88-A91 PolarHBondContact O-N 2.96Å; A91-K94 CarbonylContact O-C 3.48Å; A91-K94 PolarHBondContact O-N 3.44Å; A91-T95 PolarHBondContact O-N 3.39Å; A91-T95 PolarHBondContact O-OG1 3.13Å
92	L	57.4	Low	56.7	Low	99 Å²	99	100.6 Å²	100.6	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-69.3	-40.5	176	-77.8	169.2	0	0	0	111.7	T88 E89 I90 K94 T95 V96	T88-L92 HydrophobicContact CG2-CD1 4.08Å; T88-L92 HydrophobicContact CG2-CG 4.45Å; T88-L92 VanDerWaalsContact O-CB 3.27Å; T88-L92 WeakPolarHBondContact O-CB 3.44Å; T88-L92 VanDerWaalsContact O-CG 3.23Å; T88-L92 WeakPolarHBondContact O-CG 3.33Å; T88-L92 PolarHBondContact O-N 3.15Å; E89-L92 PolarHBondContact O-N 2.57Å; I90-L92 PolarHBondContact O-N 3.1Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 2.97Å; L92-T95 WeakPolarHBondContact CA-OG1 2.88Å; L92-T95 CarbonylContact O-C 3.59Å; L92-T95 PolarHBondContact O-N 3.26Å; L92-T95 VanDerWaalsContact O-N 3.13Å; L92-T95 PolarHBondContact O-OG1 3.2Å; L92-V96 WeakPolarHBondContact O-CG2 3.38Å; L92-V96 PolarHBondContact O-N 2.77Å
93	L	53.3	Low	59.1	Low	127 Å²	127	102.1 Å²	102.1	67%	0.665	56%	0.561	S	S	*	*	H	α-helix	trans	-61.7	-35.2	170.2	-73.5	165.8	0	0	0	111.7	E89 I90 V96 Q97	E89-L93 WeakPolarHBondContact O-CB 3.44Å; E89-L93 VanDerWaalsContact O-CG 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.37Å; E89-L93 PolarHBondContact O-N 3.41Å; I90-L93 PolarHBondContact O-N 2.88Å; L93-V96 CarbonylContact O-C 3.55Å; L93-V96 PolarHBondContact O-N 2.72Å; L93-Q97 PolarHBondContact O-N 3.15Å
94	K	56.8	Low	61.2	Low	88 Å²	88	101.2 Å²	101.2	38%	0.383	55%	0.553	S	S	.	*	H	α-helix	trans	-72.3	-28.7	171.9	-69.5	-172.2	-170.5	-133.4	0	113.3	I90 A91 L92 Q97 E267	I90-K94 HydrophobicContact CG2-CD 4.48Å; I90-K94 WeakPolarHBondContact O-CG 3.14Å; I90-K94 PolarHBondContact O-N 3.04Å; A91-K94 CarbonylContact O-C 3.48Å; A91-K94 PolarHBondContact O-N 3.44Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 2.97Å; K94-Q97 VanDerWaalsContact O-CB 3.32Å; K94-Q97 WeakPolarHBondContact O-CB 3.34Å; K94-Q97 WeakPolarHBondContact O-CG 3.16Å; K94-Q97 PolarHBondContact O-N 3.27Å; K94-E267 WeakPolarHBondContact CE-OE2 3.31Å; K94-E267 IonicContact NZ-OE1 3.74Å; K94-E267 PolarHBondContact NZ-OE1 3.21Å; K94-E267 IonicContact NZ-OE2 2.63Å; K94-E267 PolarHBondContact NZ-OE2 3.44Å
95	T	50.9	Low	63.1	Low	106 Å²	106	99.4 Å²	99.4	65%	0.65	54%	0.536	S	S	*	.	H	α-helix	trans	-84.3	-10.3	169.3	57	0	0	0	0	114.4	A91 L92 Q97	A91-T95 PolarHBondContact O-N 3.39Å; A91-T95 PolarHBondContact O-OG1 3.13Å; L92-T95 WeakPolarHBondContact CA-OG1 2.88Å; L92-T95 CarbonylContact O-C 3.59Å; L92-T95 PolarHBondContact O-N 3.26Å; L92-T95 VanDerWaalsContact O-N 3.13Å; L92-T95 PolarHBondContact O-OG1 3.2Å; T95-Q97 VanDerWaalsContact C-N 3.33Å
96	V	48.5	Very low	65.1	Low	107 Å²	107	100.5 Å²	100.5	65%	0.648	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	25	165.2	-172.6	0	0	0	0	109.4	L92 L93 M98	L92-V96 WeakPolarHBondContact O-CG2 3.38Å; L92-V96 PolarHBondContact O-N 2.77Å; L93-V96 CarbonylContact O-C 3.55Å; L93-V96 PolarHBondContact O-N 2.72Å; V96-M98 PolarHBondContact O-N 3.44Å
97	Q	50.9	Low	67	Low	110 Å²	110	105.6 Å²	105.6	51%	0.514	54%	0.543	S	S	.	.			trans	-60.1	97	141.9	-74.9	177.7	-17.6	0	0	106.3	L93 K94 T95 E99	L93-Q97 PolarHBondContact O-N 3.15Å; K94-Q97 VanDerWaalsContact O-CB 3.32Å; K94-Q97 WeakPolarHBondContact O-CB 3.34Å; K94-Q97 WeakPolarHBondContact O-CG 3.16Å; K94-Q97 PolarHBondContact O-N 3.27Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-E99 VanDerWaalsContact C-N 3.28Å; Q97-E99 PolarHBondContact O-N 3.41Å
98	M	53.8	Low	69	Low	142 Å²	142	104.2 Å²	104.2	70%	0.7	53%	0.531	S	S	*	.			trans	-54.2	106.7	146.2	-71.6	169.1	55.5	0	0	105.2	V96 L100	V96-M98 PolarHBondContact O-N 3.44Å; M98-L100 PolarHBondContact O-N 2.78Å
99	E	70	Confident	70.8	Confident	176 Å²	176	106.4 Å²	106.4	82%	0.822	54%	0.536	S	S	*	.			trans	-61.3	86.3	167	-70.7	179.1	172.8	0	0	106.5	Q97 T101	Q97-E99 VanDerWaalsContact C-N 3.28Å; Q97-E99 PolarHBondContact O-N 3.41Å; E99-T101 PolarHBondContact O-N 3.21Å
100	L	80.3	Confident	72.7	Confident	63 Å²	63	104.6 Å²	104.6	33%	0.33	53%	0.528	S	S	.	.			trans	-54.4	117	177.3	-72.1	169.4	0	0	0	106.5	M98 E104 K105 I108	M98-L100 PolarHBondContact O-N 2.78Å; L100-E104 HydrophobicContact CB-CB 4.37Å; L100-E104 HydrophobicContact CD2-CB 4.18Å; L100-K105 HydrophobicContact CB-CG 3.75Å; L100-K105 WeakPolarHBondContact O-CE 3.45Å; L100-I108 HydrophobicContact CD1-CD1 3.83Å; L100-I108 HydrophobicContact CD2-CD1 4.06Å
101	T	87.5	Confident	74.4	Confident	75 Å²	75	104.1 Å²	104.1	46%	0.46	53%	0.529	S	S	.	.			trans	-56.7	152.8	177	54.9	0	0	0	0	109.3	E99 D103 E104 K105	E99-T101 PolarHBondContact O-N 3.21Å; T101-D103 PolarHBondContact O-N 3.34Å; T101-E104 PolarHBondContact N-OE2 3.24Å; T101-E104 CarbonylContact O-C 3.57Å; T101-E104 WeakPolarHBondContact O-CA 3.49Å; T101-E104 WeakPolarHBondContact O-CB 3.5Å; T101-E104 PolarHBondContact O-N 3.48Å; T101-E104 WeakPolarHBondContact OG1-CB 3.31Å; T101-E104 VanDerWaalsContact OG1-CD 3.32Å; T101-E104 VanDerWaalsContact OG1-CG 3.24Å; T101-E104 WeakPolarHBondContact OG1-CG 3.19Å; T101-E104 PolarHBondContact OG1-N 2.79Å; T101-E104 PolarHBondContact OG1-OE2 3.01Å; T101-K105 PolarHBondContact O-N 2.84Å
102	D	87.5	Confident	76	Confident	126 Å²	126	102.7 Å²	102.7	67%	0.674	51%	0.514	S	S	*	.	H	α-helix	trans	-59.5	-32.9	-178.2	-63.8	-49.6	0	0	0	111.6	E104 K105 E106	D102-E104 PolarHBondContact O-N 2.83Å; D102-K105 PolarHBondContact O-N 3.28Å; D102-E106 WeakPolarHBondContact O-CB 3.49Å; D102-E106 PolarHBondContact O-N 3.28Å
103	D	90.7	Very high	77.6	Confident	129 Å²	129	100.6 Å²	100.6	69%	0.69	51%	0.511	S	S	*	.	H	α-helix	trans	-57.3	-41.8	168	-69.1	14	0	0	0	113.1	T101 R107	T101-D103 PolarHBondContact O-N 3.34Å; D103-R107 WeakPolarHBondContact O-CB 3.02Å; D103-R107 PolarHBondContact O-N 3.22Å
104	E	90.5	Very high	79.5	Confident	80 Å²	80	100.7 Å²	100.7	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-74.1	-41.2	175.8	-74	168.5	124	0	0	112	L100 T101 D102 E106 R107 I108	L100-E104 HydrophobicContact CB-CB 4.37Å; L100-E104 HydrophobicContact CD2-CB 4.18Å; T101-E104 PolarHBondContact N-OE2 3.24Å; T101-E104 CarbonylContact O-C 3.57Å; T101-E104 WeakPolarHBondContact O-CA 3.49Å; T101-E104 WeakPolarHBondContact O-CB 3.5Å; T101-E104 PolarHBondContact O-N 3.48Å; T101-E104 WeakPolarHBondContact OG1-CB 3.31Å; T101-E104 VanDerWaalsContact OG1-CD 3.32Å; T101-E104 VanDerWaalsContact OG1-CG 3.24Å; T101-E104 WeakPolarHBondContact OG1-CG 3.19Å; T101-E104 PolarHBondContact OG1-N 2.79Å; T101-E104 PolarHBondContact OG1-OE2 3.01Å; D102-E104 PolarHBondContact O-N 2.83Å; E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 3.33Å; E104-R107 PolarHBondContact O-N 3.32Å; E104-I108 WeakPolarHBondContact O-CB 3.46Å; E104-I108 WeakPolarHBondContact O-CD1 3.46Å; E104-I108 WeakPolarHBondContact O-CG1 3.48Å; E104-I108 PolarHBondContact O-N 2.85Å
105	K	85.3	Confident	80.9	Confident	67 Å²	67	97.7 Å²	97.7	29%	0.291	50%	0.495	S	S	.	.	H	α-helix	trans	-57.5	-47	172.6	-70.1	-175.3	173.5	-170.2	0	109.7	L100 T101 D102 I108 Q109 E268	L100-K105 HydrophobicContact CB-CG 3.75Å; L100-K105 WeakPolarHBondContact O-CE 3.45Å; T101-K105 PolarHBondContact O-N 2.84Å; D102-K105 PolarHBondContact O-N 3.28Å; K105-I108 PolarHBondContact O-N 2.97Å; K105-Q109 WeakPolarHBondContact O-CB 3.47Å; K105-Q109 VanDerWaalsContact O-CG 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.48Å; K105-Q109 PolarHBondContact O-N 2.96Å; K105-E268 IonicContact NZ-OE1 3.37Å; K105-E268 PolarHBondContact NZ-OE1 3.09Å; K105-E268 IonicContact NZ-OE2 2.91Å
106	E	92	Very high	82.7	Confident	103 Å²	103	98.9 Å²	98.9	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-65.7	-46.7	176.6	-157.8	-138.2	146.9	0	0	111.7	D102 E104 I108 Q109 Q110	D102-E106 WeakPolarHBondContact O-CB 3.49Å; D102-E106 PolarHBondContact O-N 3.28Å; E104-E106 VanDerWaalsContact C-N 3.33Å; E104-E106 PolarHBondContact O-N 3.33Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 2.83Å; E106-Q109 CarbonylContact O-C 3.53Å; E106-Q109 WeakPolarHBondContact O-CA 3.31Å; E106-Q109 WeakPolarHBondContact O-CB 3.49Å; E106-Q109 PolarHBondContact O-N 3.41Å; E106-Q109 VanDerWaalsContact O-N 3.1Å; E106-Q110 WeakPolarHBondContact O-CG 3.49Å; E106-Q110 PolarHBondContact O-N 3.22Å; E106-Q110 PolarHBondContact OE1-NE2 2.78Å
107	R	88.7	Confident	84.7	Confident	183 Å²	183	98 Å²	98	69%	0.691	48%	0.478	S	S	*	.	H	α-helix	trans	-59.7	-38.8	178.1	-173.9	-176.3	-171.8	94.7	-1.8	112	D103 E104 V111	D103-R107 WeakPolarHBondContact O-CB 3.02Å; D103-R107 PolarHBondContact O-N 3.22Å; E104-R107 PolarHBondContact O-N 3.32Å; R107-V111 WeakPolarHBondContact O-CG2 3.49Å; R107-V111 PolarHBondContact O-N 2.83Å
108	I	89.9	Confident	86.5	Confident	68 Å²	68	98.3 Å²	98.3	35%	0.349	48%	0.482	S	S	.	.	H	α-helix	trans	-62.1	-57.8	170.7	-71.8	164	0	0	0	108.7	L100 E104 K105 E106 Q110 V111 L112	L100-I108 HydrophobicContact CD1-CD1 3.83Å; L100-I108 HydrophobicContact CD2-CD1 4.06Å; E104-I108 WeakPolarHBondContact O-CB 3.46Å; E104-I108 WeakPolarHBondContact O-CD1 3.46Å; E104-I108 WeakPolarHBondContact O-CG1 3.48Å; E104-I108 PolarHBondContact O-N 2.85Å; K105-I108 PolarHBondContact O-N 2.97Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 2.83Å; I108-Q110 VanDerWaalsContact C-N 3.27Å; I108-Q110 PolarHBondContact O-N 3.47Å; I108-Q110 VanDerWaalsContact O-N 3.16Å; I108-V111 WeakPolarHBondContact O-CA 3.16Å; I108-V111 VanDerWaalsContact O-CB 3.32Å; I108-V111 WeakPolarHBondContact O-CB 3.41Å; I108-V111 PolarHBondContact O-N 3.16Å; I108-L112 HydrophobicContact CG2-CD1 4.19Å; I108-L112 HydrophobicContact CG2-CD2 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.16Å; I108-L112 WeakPolarHBondContact O-CD2 3.49Å; I108-L112 VanDerWaalsContact O-CG 3.22Å; I108-L112 WeakPolarHBondContact O-CG 3.03Å; I108-L112 PolarHBondContact O-N 3.1Å
109	Q	88.3	Confident	88.1	Confident	125 Å²	125	94.7 Å²	94.7	58%	0.584	46%	0.464	S	S	*	.	H	α-helix	trans	-49.4	-42.8	178.5	-74	174.3	13.6	0	0	113.2	K105 E106 V111 L112 A113	K105-Q109 WeakPolarHBondContact O-CB 3.47Å; K105-Q109 VanDerWaalsContact O-CG 3.27Å; K105-Q109 WeakPolarHBondContact O-CG 3.48Å; K105-Q109 PolarHBondContact O-N 2.96Å; E106-Q109 CarbonylContact O-C 3.53Å; E106-Q109 WeakPolarHBondContact O-CA 3.31Å; E106-Q109 WeakPolarHBondContact O-CB 3.49Å; E106-Q109 PolarHBondContact O-N 3.41Å; E106-Q109 VanDerWaalsContact O-N 3.1Å; Q109-V111 PolarHBondContact O-N 2.86Å; Q109-L112 PolarHBondContact O-N 3.45Å; Q109-L112 VanDerWaalsContact O-N 3.16Å; Q109-A113 WeakPolarHBondContact O-CB 3.49Å; Q109-A113 PolarHBondContact O-N 3.33Å
110	Q	92.8	Very high	89	Confident	84 Å²	84	90.6 Å²	90.6	39%	0.393	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-35.6	174.3	-69.6	-177.8	12.7	0	0	113.2	E106 I108 R114	E106-Q110 WeakPolarHBondContact O-CG 3.49Å; E106-Q110 PolarHBondContact O-N 3.22Å; E106-Q110 PolarHBondContact OE1-NE2 2.78Å; I108-Q110 VanDerWaalsContact C-N 3.27Å; I108-Q110 PolarHBondContact O-N 3.47Å; I108-Q110 VanDerWaalsContact O-N 3.16Å; Q110-R114 WeakPolarHBondContact O-CB 3.45Å; Q110-R114 WeakPolarHBondContact O-CG 3.48Å; Q110-R114 PolarHBondContact O-N 3Å; Q110-R114 PolarHBondContact O-NE 3.12Å; Q110-R114 PolarHBondContact O-NH2 3.16Å
111	V	92.1	Very high	89.5	Confident	79 Å²	79	91.4 Å²	91.4	48%	0.479	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-43.3	171.4	172.8	0	0	0	0	110.3	R107 I108 Q109 R114 A115	R107-V111 WeakPolarHBondContact O-CG2 3.49Å; R107-V111 PolarHBondContact O-N 2.83Å; I108-V111 WeakPolarHBondContact O-CA 3.16Å; I108-V111 VanDerWaalsContact O-CB 3.32Å; I108-V111 WeakPolarHBondContact O-CB 3.41Å; I108-V111 PolarHBondContact O-N 3.16Å; Q109-V111 PolarHBondContact O-N 2.86Å; V111-R114 PolarHBondContact O-N 3.31Å; V111-A115 PolarHBondContact O-N 3.1Å
112	L	89.3	Confident	89.5	Confident	20 Å²	20	90 Å²	90	11%	0.105	44%	0.439	C	S	.	.	H	α-helix	trans	-64.1	-44.2	179.5	-34.5	-177.3	0	0	0	111.3	I108 Q109 R114 A115 R116 Y254 I261	I108-L112 HydrophobicContact CG2-CD1 4.19Å; I108-L112 HydrophobicContact CG2-CD2 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.16Å; I108-L112 WeakPolarHBondContact O-CD2 3.49Å; I108-L112 VanDerWaalsContact O-CG 3.22Å; I108-L112 WeakPolarHBondContact O-CG 3.03Å; I108-L112 PolarHBondContact O-N 3.1Å; Q109-L112 PolarHBondContact O-N 3.45Å; Q109-L112 VanDerWaalsContact O-N 3.16Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.37Å; L112-A115 WeakPolarHBondContact O-CB 2.74Å; L112-A115 PolarHBondContact O-N 2.94Å; L112-A115 VanDerWaalsContact O-N 3.16Å; L112-R116 WeakPolarHBondContact O-CG 3.45Å; L112-R116 PolarHBondContact O-N 3.16Å; L112-Y254 HydrophobicContact CB-CE1 4.14Å; L112-Y254 VanDerWaalsContact CD1-OH 3.31Å; L112-Y254 WeakPolarHBondContact CD1-OH 3.42Å; L112-Y254 HydrophobicContact CD2-CE2 4.07Å; L112-Y254 WeakPolarHBondContact CD2-OH 2.95Å; L112-Y254 WeakPolarHBondContact CG-OH 3.32Å; L112-I261 HydrophobicContact CD1-CD1 3.33Å
113	A	91.4	Very high	89.6	Confident	55 Å²	55	87.7 Å²	87.7	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-39.7	177	0	0	0	0	0	112	Q109 L117	Q109-A113 WeakPolarHBondContact O-CB 3.49Å; Q109-A113 PolarHBondContact O-N 3.33Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 PolarHBondContact O-N 3.32Å
114	R	91.6	Very high	89.6	Confident	128 Å²	128	86.9 Å²	86.9	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-39.5	172.7	-75.6	175.2	-69.6	-153	-3.3	112.3	Q110 V111 L112 L117 I118	Q110-R114 WeakPolarHBondContact O-CB 3.45Å; Q110-R114 WeakPolarHBondContact O-CG 3.48Å; Q110-R114 PolarHBondContact O-N 3Å; Q110-R114 PolarHBondContact O-NE 3.12Å; Q110-R114 PolarHBondContact O-NH2 3.16Å; V111-R114 PolarHBondContact O-N 3.31Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.37Å; R114-L117 PolarHBondContact O-N 2.85Å; R114-I118 VanDerWaalsContact O-CG1 3.28Å; R114-I118 WeakPolarHBondContact O-CG1 3.15Å; R114-I118 PolarHBondContact O-N 3.16Å
115	A	87.8	Confident	89.8	Confident	26 Å²	26	85.3 Å²	85.3	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-51.7	175.1	0	0	0	0	0	111.5	V111 L112 L117 I118 E119 Y254	V111-A115 PolarHBondContact O-N 3.1Å; L112-A115 WeakPolarHBondContact O-CB 2.74Å; L112-A115 PolarHBondContact O-N 2.94Å; L112-A115 VanDerWaalsContact O-N 3.16Å; A115-L117 VanDerWaalsContact C-N 3.28Å; A115-L117 PolarHBondContact O-N 3.38Å; A115-I118 PolarHBondContact O-N 3.21Å; A115-E119 PolarHBondContact O-N 2.78Å; A115-Y254 HydrophobicContact CB-CD2 4.36Å
116	R	87.1	Confident	90.1	Very high	130 Å²	130	82.6 Å²	82.6	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-53.3	-41.9	173.8	-71.4	171.6	174.4	165.9	-2.9	112.3	L112 M120 Y254 E258	L112-R116 WeakPolarHBondContact O-CG 3.45Å; L112-R116 PolarHBondContact O-N 3.16Å; R116-M120 VanDerWaalsContact O-CB 3.25Å; R116-M120 WeakPolarHBondContact O-CB 3.13Å; R116-M120 PolarHBondContact O-N 2.9Å; R116-Y254 HydrophobicContact CG-CD1 4.43Å; R116-E258 IonicContact CZ-OE1 3.41Å; R116-E258 IonicContact NE-OE1 3.96Å; R116-E258 PolarHBondContact NE-OE1 3.11Å; R116-E258 IonicContact NH2-OE1 3.01Å; R116-E258 PolarHBondContact NH2-OE1 2.86Å
117	L	91.8	Very high	90.1	Very high	88 Å²	88	81.3 Å²	81.3	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-39.7	176.9	178.2	59.3	0	0	0	112.6	A113 R114 A115 M120 N121	A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 PolarHBondContact O-N 3.32Å; R114-L117 PolarHBondContact O-N 2.85Å; A115-L117 VanDerWaalsContact C-N 3.28Å; A115-L117 PolarHBondContact O-N 3.38Å; L117-M120 HydrophobicContact CD1-CE 3.55Å; L117-N121 WeakPolarHBondContact O-CB 3.26Å; L117-N121 PolarHBondContact O-N 2.7Å; L117-N121 VanDerWaalsContact O-N 3.09Å; L117-N121 PolarHBondContact O-ND2 2.88Å
118	I	88.5	Confident	90.3	Very high	118 Å²	118	76.5 Å²	76.5	61%	0.605	38%	0.379	S	S	*	.	H	α-helix	trans	-67.4	-48.4	176.3	-69.4	163.9	0	0	0	110.3	R114 A115 N121 E122	R114-I118 VanDerWaalsContact O-CG1 3.28Å; R114-I118 WeakPolarHBondContact O-CG1 3.15Å; R114-I118 PolarHBondContact O-N 3.16Å; A115-I118 PolarHBondContact O-N 3.21Å; I118-N121 PolarHBondContact O-N 3.19Å; I118-E122 VanDerWaalsContact O-CB 3.32Å; I118-E122 WeakPolarHBondContact O-CB 3.18Å; I118-E122 PolarHBondContact O-N 2.71Å
119	E	87.8	Confident	90.3	Very high	65 Å²	65	76.1 Å²	76.1	30%	0.304	38%	0.378	S	S	.	.	H	α-helix	trans	-58.9	-48.5	177	-71	-173.8	148.5	0	0	111.3	A115 N121 E122 D123 Y254	A115-E119 PolarHBondContact O-N 2.78Å; E119-N121 VanDerWaalsContact C-N 3.3Å; E119-N121 PolarHBondContact O-N 3.09Å; E119-E122 PolarHBondContact O-N 3.09Å; E119-D123 PolarHBondContact O-N 3.22Å; E119-Y254 WeakPolarHBondContact OE1-CB 3.33Å; E119-Y254 WeakPolarHBondContact OE2-CB 3.49Å
120	M	88.6	Confident	90.5	Very high	91 Å²	91	74.6 Å²	74.6	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-39.6	176.3	177.3	-174.5	50.9	0	0	112.7	R116 L117 K124	R116-M120 VanDerWaalsContact O-CB 3.25Å; R116-M120 WeakPolarHBondContact O-CB 3.13Å; R116-M120 PolarHBondContact O-N 2.9Å; L117-M120 HydrophobicContact CD1-CE 3.55Å; M120-K124 HydrophobicContact CG-CD 4.36Å; M120-K124 VanDerWaalsContact CG-CE 3.49Å; M120-K124 WeakPolarHBondContact O-CD 3.48Å; M120-K124 VanDerWaalsContact O-CG 3.22Å; M120-K124 WeakPolarHBondContact O-CG 3.41Å; M120-K124 PolarHBondContact O-N 2.9Å; M120-K124 VanDerWaalsContact O-N 3.08Å; M120-K124 PolarHBondContact SD-NZ 3.1Å
121	N	90.4	Very high	90.5	Very high	79 Å²	79	74.9 Å²	74.9	42%	0.422	38%	0.378	S	S	.	.	H	α-helix	trans	-76	-35.1	-179.4	-72.3	-18.9	0	0	0	112.3	L117 I118 E119 K124 R125	L117-N121 WeakPolarHBondContact O-CB 3.26Å; L117-N121 PolarHBondContact O-N 2.7Å; L117-N121 VanDerWaalsContact O-N 3.09Å; L117-N121 PolarHBondContact O-ND2 2.88Å; I118-N121 PolarHBondContact O-N 3.19Å; E119-N121 VanDerWaalsContact C-N 3.3Å; E119-N121 PolarHBondContact O-N 3.09Å; N121-K124 PolarHBondContact OD1-NZ 2.82Å; N121-R125 PolarHBondContact O-N 3.16Å
122	E	87.3	Confident	90.5	Very high	47 Å²	47	75.2 Å²	75.2	22%	0.22	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-43.1	172.3	168.9	61.4	179.8	0	0	111.6	I118 E119 R125 V126 R250	I118-E122 VanDerWaalsContact O-CB 3.32Å; I118-E122 WeakPolarHBondContact O-CB 3.18Å; I118-E122 PolarHBondContact O-N 2.71Å; E119-E122 PolarHBondContact O-N 3.09Å; E122-R125 WeakPolarHBondContact O-CB 3.32Å; E122-R125 PolarHBondContact O-N 2.87Å; E122-R125 VanDerWaalsContact O-N 3.15Å; E122-R125 IonicContact OE1-CZ 2.94Å; E122-R125 IonicContact OE1-NH2 3.97Å; E122-R125 PolarHBondContact OE1-NH2 3.39Å; E122-R125 IonicContact OE2-CZ 3.52Å; E122-R125 IonicContact OE2-NE 2.82Å; E122-R125 PolarHBondContact OE2-NE 2.81Å; E122-R125 IonicContact OE2-NH2 2.7Å; E122-R125 PolarHBondContact OE2-NH2 3.48Å; E122-V126 WeakPolarHBondContact O-CG2 3.47Å; E122-V126 PolarHBondContact O-N 3.47Å; E122-R250 VanDerWaalsContact CD-NH2 3.33Å; E122-R250 IonicContact OE1-CZ 3.05Å; E122-R250 IonicContact OE1-NE 2.71Å; E122-R250 IonicContact OE1-NH2 3.52Å; E122-R250 PolarHBondContact OE1-NH2 3.29Å
123	D	89	Confident	90.6	Very high	77 Å²	77	75.3 Å²	75.3	41%	0.412	38%	0.375	S	S	.	.	H	α-helix	trans	-71.9	-31.2	177.9	-74.7	-14.1	0	0	0	112.3	E119 T127 R250	E119-D123 PolarHBondContact O-N 3.22Å; D123-T127 WeakPolarHBondContact O-CB 3.46Å; D123-T127 PolarHBondContact O-N 2.94Å; D123-T127 PolarHBondContact O-OG1 2.79Å; D123-R250 IonicContact OD1-CZ 2.78Å; D123-R250 IonicContact OD1-NH1 3.18Å; D123-R250 PolarHBondContact OD1-NH1 2.96Å; D123-R250 IonicContact OD1-NH2 3.15Å
124	K	92.5	Very high	90.7	Very high	112 Å²	112	79.2 Å²	79.2	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-44.6	165.5	-74.5	165.9	-168.4	161.7	0	111.5	M120 N121 K128	M120-K124 HydrophobicContact CG-CD 4.36Å; M120-K124 VanDerWaalsContact CG-CE 3.49Å; M120-K124 WeakPolarHBondContact O-CD 3.48Å; M120-K124 VanDerWaalsContact O-CG 3.22Å; M120-K124 WeakPolarHBondContact O-CG 3.41Å; M120-K124 PolarHBondContact O-N 2.9Å; M120-K124 VanDerWaalsContact O-N 3.08Å; M120-K124 PolarHBondContact SD-NZ 3.1Å; N121-K124 PolarHBondContact OD1-NZ 2.82Å; K124-K128 WeakPolarHBondContact O-CB 3.24Å; K124-K128 PolarHBondContact O-N 3.02Å
125	R	93.2	Very high	90.7	Very high	47 Å²	47	81.7 Å²	81.7	18%	0.177	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-48.4	177.7	-172.6	-170.9	67.7	88.8	2.1	111.2	N121 E122 K128 L129 S218	N121-R125 PolarHBondContact O-N 3.16Å; E122-R125 WeakPolarHBondContact O-CB 3.32Å; E122-R125 PolarHBondContact O-N 2.87Å; E122-R125 VanDerWaalsContact O-N 3.15Å; E122-R125 IonicContact OE1-CZ 2.94Å; E122-R125 IonicContact OE1-NH2 3.97Å; E122-R125 PolarHBondContact OE1-NH2 3.39Å; E122-R125 IonicContact OE2-CZ 3.52Å; E122-R125 IonicContact OE2-NE 2.82Å; E122-R125 PolarHBondContact OE2-NE 2.81Å; E122-R125 IonicContact OE2-NH2 2.7Å; E122-R125 PolarHBondContact OE2-NH2 3.48Å; R125-K128 PolarHBondContact O-N 3.31Å; R125-L129 HydrophobicContact CG-CD1 4.24Å; R125-L129 WeakPolarHBondContact O-CG 3.27Å; R125-L129 PolarHBondContact O-N 2.88Å; R125-L129 VanDerWaalsContact O-N 3.09Å; R125-S218 PolarHBondContact NH2-O 3.07Å
126	V	91.2	Very high	90.8	Very high	9 Å²	9	83.3 Å²	83.3	6%	0.055	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-46	179	172.4	0	0	0	0	111.4	E122 K128 L129 Q130	E122-V126 WeakPolarHBondContact O-CG2 3.47Å; E122-V126 PolarHBondContact O-N 3.47Å; V126-K128 VanDerWaalsContact C-N 3.31Å; V126-K128 PolarHBondContact O-N 3.24Å; V126-L129 PolarHBondContact O-N 2.86Å; V126-Q130 HydrophobicContact CG1-CG 4.15Å; V126-Q130 WeakPolarHBondContact O-CB 3.45Å; V126-Q130 VanDerWaalsContact O-CG 3.32Å; V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 2.88Å
127	T	92.3	Very high	91	Very high	76 Å²	76	79.2 Å²	79.2	47%	0.466	39%	0.385	S	S	.	.	H	α-helix	trans	-59.6	-40.9	178.1	-59.4	0	0	0	0	111.8	D123 T131	D123-T127 WeakPolarHBondContact O-CB 3.46Å; D123-T127 PolarHBondContact O-N 2.94Å; D123-T127 PolarHBondContact O-OG1 2.79Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 PolarHBondContact O-N 3.08Å; T127-T131 PolarHBondContact O-OG1 3.39Å
128	K	93.4	Very high	90.8	Very high	82 Å²	82	79.3 Å²	79.3	36%	0.357	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-51.4	174.4	179.2	174.1	176.4	175.2	0	111.6	K124 R125 V126 Q130 T131 E132 Y743	K124-K128 WeakPolarHBondContact O-CB 3.24Å; K124-K128 PolarHBondContact O-N 3.02Å; R125-K128 PolarHBondContact O-N 3.31Å; V126-K128 VanDerWaalsContact C-N 3.31Å; V126-K128 PolarHBondContact O-N 3.24Å; K128-Q130 PolarHBondContact O-N 2.81Å; K128-T131 PolarHBondContact O-N 2.86Å; K128-T131 VanDerWaalsContact O-N 3.14Å; K128-E132 WeakPolarHBondContact CE-OE1 3.4Å; K128-E132 WeakPolarHBondContact CG-OE1 3.43Å; K128-E132 PolarHBondContact O-N 2.82Å; K128-Y743 PolarHBondContact NZ-OH 3Å
129	L	90.4	Very high	90.8	Very high	61 Å²	61	75.9 Å²	75.9	32%	0.319	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-39.6	180	-68.6	169.6	0	0	0	112.3	R125 V126 L133 L215	R125-L129 HydrophobicContact CG-CD1 4.24Å; R125-L129 WeakPolarHBondContact O-CG 3.27Å; R125-L129 PolarHBondContact O-N 2.88Å; R125-L129 VanDerWaalsContact O-N 3.09Å; V126-L129 PolarHBondContact O-N 2.86Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 PolarHBondContact O-N 2.92Å; L129-L215 HydrophobicContact CB-CD1 3.63Å; L129-L215 HydrophobicContact CB-CD2 4.19Å; L129-L215 HydrophobicContact CD1-CD1 4.02Å; L129-L215 HydrophobicContact CG-CD1 4.48Å
130	Q	92.1	Very high	90.7	Very high	93 Å²	93	73.7 Å²	73.7	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-40.9	172.8	-73.9	178.2	-6.1	0	0	111.8	V126 K128 L133 K134 L215	V126-Q130 HydrophobicContact CG1-CG 4.15Å; V126-Q130 WeakPolarHBondContact O-CB 3.45Å; V126-Q130 VanDerWaalsContact O-CG 3.32Å; V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 2.88Å; K128-Q130 PolarHBondContact O-N 2.81Å; Q130-L133 PolarHBondContact O-N 2.93Å; Q130-K134 VanDerWaalsContact O-CB 3.24Å; Q130-K134 WeakPolarHBondContact O-CB 3.2Å; Q130-K134 PolarHBondContact O-N 2.92Å; Q130-L215 HydrophobicContact CB-CD2 4.38Å; Q130-L215 HydrophobicContact CG-CD2 3.78Å
131	T	93.5	Very high	90.6	Very high	90 Å²	90	75.4 Å²	75.4	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-68	-44.7	179.4	-60.2	0	0	0	0	111.9	T127 K128 K134 R135	T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 PolarHBondContact O-N 3.08Å; T127-T131 PolarHBondContact O-OG1 3.39Å; K128-T131 PolarHBondContact O-N 2.86Å; K128-T131 VanDerWaalsContact O-N 3.14Å; T131-K134 PolarHBondContact O-N 2.64Å; T131-R135 WeakPolarHBondContact O-CB 3.43Å; T131-R135 PolarHBondContact O-N 3.13Å
132	E	90.9	Very high	90.3	Very high	85 Å²	85	78 Å²	78	40%	0.397	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-44.6	174.1	-72.5	177.6	-158.8	0	0	111.5	K128 R135 T136	K128-E132 WeakPolarHBondContact CE-OE1 3.4Å; K128-E132 WeakPolarHBondContact CG-OE1 3.43Å; K128-E132 PolarHBondContact O-N 2.82Å; E132-R135 PolarHBondContact O-N 2.98Å; E132-T136 PolarHBondContact O-N 3.4Å; E132-T136 PolarHBondContact O-OG1 3.18Å
133	L	92.8	Very high	89.9	Confident	23 Å²	23	78.6 Å²	78.6	12%	0.12	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-54.2	175.6	-176	66.2	0	0	0	110.9	L129 Q130 R135 T136 E137 L208 K211 K212 L215	L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 PolarHBondContact O-N 2.92Å; Q130-L133 PolarHBondContact O-N 2.93Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.13Å; L133-T136 PolarHBondContact O-N 3.04Å; L133-T136 PolarHBondContact O-OG1 3.27Å; L133-E137 WeakPolarHBondContact O-CG 3.38Å; L133-E137 PolarHBondContact O-N 3.48Å; L133-L208 HydrophobicContact CD1-CD1 3.67Å; L133-K211 HydrophobicContact CD1-CB 4.14Å; L133-K212 HydrophobicContact CD1-CG 4.13Å; L133-K212 HydrophobicContact CD2-CG 4.11Å; L133-L215 HydrophobicContact CB-CD2 4.44Å; L133-L215 HydrophobicContact CD2-CD2 3.67Å
134	K	92.8	Very high	89.3	Confident	137 Å²	137	76.9 Å²	76.9	60%	0.596	36%	0.36	S	S	*	.	H	α-helix	trans	-56.2	-38.2	177.9	-173.1	169.1	-178.7	174.1	0	112.1	Q130 T131 E137 Q138	Q130-K134 VanDerWaalsContact O-CB 3.24Å; Q130-K134 WeakPolarHBondContact O-CB 3.2Å; Q130-K134 PolarHBondContact O-N 2.92Å; T131-K134 PolarHBondContact O-N 2.64Å; K134-E137 PolarHBondContact O-N 3.34Å; K134-Q138 WeakPolarHBondContact O-CG 3.42Å; K134-Q138 PolarHBondContact O-N 3.1Å
135	R	91.9	Very high	88.4	Confident	179 Å²	179	73.9 Å²	73.9	68%	0.675	35%	0.353	S	S	*	.	H	α-helix	trans	-62.7	-47.5	172.7	179.5	-179.4	172.5	85.2	0.7	112	T131 E132 L133 Q138 V139	T131-R135 WeakPolarHBondContact O-CB 3.43Å; T131-R135 PolarHBondContact O-N 3.13Å; E132-R135 PolarHBondContact O-N 2.98Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.13Å; R135-Q138 PolarHBondContact O-N 3.33Å; R135-V139 PolarHBondContact O-N 2.91Å
136	T	88.5	Confident	87.2	Confident	61 Å²	61	75.7 Å²	75.7	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-38.3	177.9	58.8	0	0	0	0	112.4	E132 L133 Q138 V139 V140 L208	E132-T136 PolarHBondContact O-N 3.4Å; E132-T136 PolarHBondContact O-OG1 3.18Å; L133-T136 PolarHBondContact O-N 3.04Å; L133-T136 PolarHBondContact O-OG1 3.27Å; T136-Q138 PolarHBondContact O-N 2.83Å; T136-V139 PolarHBondContact O-N 3.43Å; T136-V140 WeakPolarHBondContact O-CG2 3.4Å; T136-V140 PolarHBondContact O-N 3.09Å; T136-V140 VanDerWaalsContact O-N 3.09Å; T136-L208 VanDerWaalsContact OG1-CD1 3.3Å; T136-L208 WeakPolarHBondContact OG1-CD1 3.22Å
137	E	91.2	Very high	86	Confident	44 Å²	44	77.8 Å²	77.8	21%	0.206	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-43.7	173.6	-69.7	-167.3	-142.6	0	0	112.6	L133 K134 V139 V140 K141 L208 K212	L133-E137 WeakPolarHBondContact O-CG 3.38Å; L133-E137 PolarHBondContact O-N 3.48Å; K134-E137 PolarHBondContact O-N 3.34Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 3.34Å; E137-V140 PolarHBondContact O-N 3.45Å; E137-K141 WeakPolarHBondContact O-CB 3.38Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.79Å; E137-L208 HydrophobicContact CG-CD1 4Å; E137-L208 HydrophobicContact CG-CD2 4.2Å; E137-L208 HydrophobicContact CG-CG 4.44Å; E137-K212 VanDerWaalsContact OE1-CE 3.3Å; E137-K212 WeakPolarHBondContact OE1-CE 3.36Å; E137-K212 IonicContact OE1-NZ 2.92Å; E137-K212 PolarHBondContact OE1-NZ 3.43Å; E137-K212 IonicContact OE2-NZ 2.97Å; E137-K212 PolarHBondContact OE2-NZ 2.9Å
138	Q	89.2	Confident	84.5	Confident	90 Å²	90	80 Å²	80	42%	0.421	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-37.1	177.1	-75.2	179.3	0.3	0	0	113	K134 R135 T136 R142	K134-Q138 WeakPolarHBondContact O-CG 3.42Å; K134-Q138 PolarHBondContact O-N 3.1Å; R135-Q138 PolarHBondContact O-N 3.33Å; T136-Q138 PolarHBondContact O-N 2.83Å; Q138-R142 WeakPolarHBondContact O-CB 3.35Å; Q138-R142 WeakPolarHBondContact O-CG 3.49Å; Q138-R142 PolarHBondContact O-N 3.35Å; Q138-R142 PolarHBondContact O-NE 3.5Å
139	V	87.7	Confident	82.9	Confident	46 Å²	46	80.1 Å²	80.1	28%	0.279	39%	0.392	S	S	.	.	H	α-helix	trans	-64.7	-45.1	175.4	172	0	0	0	0	110.4	R135 T136 E137 R142 R143	R135-V139 PolarHBondContact O-N 2.91Å; T136-V139 PolarHBondContact O-N 3.43Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 3.34Å; V139-R142 PolarHBondContact O-N 2.87Å; V139-R143 WeakPolarHBondContact O-CG 3.39Å; V139-R143 PolarHBondContact O-N 3.44Å
140	V	86.3	Confident	81.2	Confident	19 Å²	19	80.1 Å²	80.1	12%	0.115	39%	0.392	C	S	.	.	H	α-helix	trans	-67.2	-42.4	178.4	177	0	0	0	0	111.7	T136 E137 R142 R143 V144 L159 L160 L208	T136-V140 WeakPolarHBondContact O-CG2 3.4Å; T136-V140 PolarHBondContact O-N 3.09Å; T136-V140 VanDerWaalsContact O-N 3.09Å; E137-V140 PolarHBondContact O-N 3.45Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 3.48Å; V140-R143 WeakPolarHBondContact O-CB 3.29Å; V140-R143 PolarHBondContact O-N 2.83Å; V140-V144 WeakPolarHBondContact O-CG2 3.34Å; V140-V144 PolarHBondContact O-N 3.05Å; V140-L159 HydrophobicContact CG1-CB 4.42Å; V140-L160 HydrophobicContact CG1-CD2 4.33Å; V140-L160 HydrophobicContact CG2-CD2 3.55Å; V140-L208 HydrophobicContact CB-CD2 4.33Å; V140-L208 HydrophobicContact CG2-CD2 4.08Å
141	K	85.7	Confident	79.5	Confident	127 Å²	127	82.2 Å²	82.2	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-57.1	-46.6	173.2	-76.1	-174.8	178	-170.6	0	111.4	E137 R143 V144 S145	E137-K141 WeakPolarHBondContact O-CB 3.38Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.79Å; K141-R143 PolarHBondContact O-N 2.97Å; K141-V144 PolarHBondContact O-N 2.83Å; K141-S145 PolarHBondContact O-N 3.44Å; K141-S145 PolarHBondContact O-OG 3.44Å
142	R	83.4	Confident	77.6	Confident	134 Å²	134	82.5 Å²	82.5	51%	0.506	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-40.6	176.1	-78.6	-178.9	-108.7	134.7	-7.2	112.7	Q138 V139 V140 S145 L146	Q138-R142 WeakPolarHBondContact O-CB 3.35Å; Q138-R142 WeakPolarHBondContact O-CG 3.49Å; Q138-R142 PolarHBondContact O-N 3.35Å; Q138-R142 PolarHBondContact O-NE 3.5Å; V139-R142 PolarHBondContact O-N 2.87Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 3.48Å; R142-S145 PolarHBondContact O-N 3.37Å; R142-L146 WeakPolarHBondContact O-CG 3.29Å; R142-L146 PolarHBondContact O-N 3.01Å; R142-L146 VanDerWaalsContact O-N 3.1Å
143	R	79.8	Confident	75.7	Confident	59 Å²	59	85.9 Å²	85.9	22%	0.223	43%	0.426	C	S	.	.	H	α-helix	trans	-60.8	-47	174	-71.9	169.4	176.2	163.8	-5.6	112.2	V139 V140 K141 S145 L146 S147 L159 L160 E162	V139-R143 WeakPolarHBondContact O-CG 3.39Å; V139-R143 PolarHBondContact O-N 3.44Å; V140-R143 WeakPolarHBondContact O-CB 3.29Å; V140-R143 PolarHBondContact O-N 2.83Å; K141-R143 PolarHBondContact O-N 2.97Å; R143-S145 VanDerWaalsContact C-N 3.33Å; R143-S145 PolarHBondContact O-N 3.27Å; R143-L146 PolarHBondContact O-N 3.2Å; R143-L146 VanDerWaalsContact O-N 3.1Å; R143-S147 PolarHBondContact O-N 2.71Å; R143-S147 PolarHBondContact O-OG 3.4Å; R143-L159 HydrophobicContact CB-CD2 4.48Å; R143-L159 WeakPolarHBondContact CD-O 3.43Å; R143-L159 PolarHBondContact NH1-O 2.81Å; R143-L160 VanDerWaalsContact NH1-C 3.25Å; R143-L160 PolarHBondContact NH1-O 3.27Å; R143-E162 IonicContact CZ-OE1 2.76Å; R143-E162 IonicContact NE-OE1 3.7Å; R143-E162 PolarHBondContact NE-OE1 2.83Å; R143-E162 IonicContact NH2-OE1 2.69Å; R143-E162 PolarHBondContact NH2-OE1 2.98Å
144	V	75.9	Confident	73.7	Confident	41 Å²	41	92.7 Å²	92.7	25%	0.248	46%	0.457	C	S	.	.	H	α-helix	trans	-61.3	-41.5	176.8	174.7	0	0	0	0	111.4	V140 K141 L146 S147 N148 L159	V140-V144 WeakPolarHBondContact O-CG2 3.34Å; V140-V144 PolarHBondContact O-N 3.05Å; K141-V144 PolarHBondContact O-N 2.83Å; V144-L146 PolarHBondContact O-N 2.82Å; V144-S147 WeakPolarHBondContact CA-OG 3.3Å; V144-S147 PolarHBondContact O-OG 3.01Å; V144-N148 WeakPolarHBondContact O-CB 3.19Å; V144-N148 PolarHBondContact O-N 2.68Å; V144-N148 PolarHBondContact O-ND2 3.07Å; V144-N148 PolarHBondContact O-OD1 2.96Å; V144-L159 HydrophobicContact CG2-CD1 3.75Å; V144-L159 HydrophobicContact CG2-CD2 3.83Å; V144-L159 HydrophobicContact CG2-CG 4.31Å
145	S	74.1	Confident	71.9	Confident	48 Å²	48	90 Å²	90	34%	0.336	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-28.2	174.9	-64.4	0	0	0	0	113.7	K141 R142 R143 Q149	K141-S145 PolarHBondContact O-N 3.44Å; K141-S145 PolarHBondContact O-OG 3.44Å; R142-S145 PolarHBondContact O-N 3.37Å; R143-S145 VanDerWaalsContact C-N 3.33Å; R143-S145 PolarHBondContact O-N 3.27Å; S145-Q149 WeakPolarHBondContact O-CG 3.22Å; S145-Q149 PolarHBondContact O-NE2 2.91Å
146	L	68.4	Low	70.8	Confident	85 Å²	85	88.4 Å²	88.4	45%	0.445	45%	0.447	S	S	.	.	H	α-helix	trans	-86.1	-46.1	177.7	-70	167.5	0	0	0	112	R142 R143 V144 N148 Q149	R142-L146 WeakPolarHBondContact O-CG 3.29Å; R142-L146 PolarHBondContact O-N 3.01Å; R142-L146 VanDerWaalsContact O-N 3.1Å; R143-L146 PolarHBondContact O-N 3.2Å; R143-L146 VanDerWaalsContact O-N 3.1Å; V144-L146 PolarHBondContact O-N 2.82Å; L146-N148 PolarHBondContact O-N 3.35Å; L146-N148 VanDerWaalsContact O-N 3.13Å; L146-Q149 WeakPolarHBondContact O-CB 3.35Å; L146-Q149 PolarHBondContact O-N 3.03Å
147	S	65	Low	70.2	Confident	53 Å²	53	87.4 Å²	87.4	37%	0.371	44%	0.442	S	S	.	.	H	α-helix	trans	-59.3	-28.5	179.4	60.2	0	0	0	0	112.9	R143 V144 Q149	R143-S147 PolarHBondContact O-N 2.71Å; R143-S147 PolarHBondContact O-OG 3.4Å; V144-S147 WeakPolarHBondContact CA-OG 3.3Å; V144-S147 PolarHBondContact O-OG 3.01Å; S147-Q149 VanDerWaalsContact C-N 3.28Å; S147-Q149 PolarHBondContact O-N 2.93Å
148	N	60.8	Low	70.1	Confident	123 Å²	123	85.3 Å²	85.3	66%	0.658	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.9	179	-64.9	-1.1	0	0	0	113.8	V144 L146	V144-N148 WeakPolarHBondContact O-CB 3.19Å; V144-N148 PolarHBondContact O-N 2.68Å; V144-N148 PolarHBondContact O-ND2 3.07Å; V144-N148 PolarHBondContact O-OD1 2.96Å; L146-N148 PolarHBondContact O-N 3.35Å; L146-N148 VanDerWaalsContact O-N 3.13Å
149	Q	59.5	Low	69.8	Low	85 Å²	85	82 Å²	82	40%	0.397	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-23.4	175.7	-65.2	175.7	41.2	0	0	112.6	S145 L146 S147 V151	S145-Q149 WeakPolarHBondContact O-CG 3.22Å; S145-Q149 PolarHBondContact O-NE2 2.91Å; L146-Q149 WeakPolarHBondContact O-CB 3.35Å; L146-Q149 PolarHBondContact O-N 3.03Å; S147-Q149 VanDerWaalsContact C-N 3.28Å; S147-Q149 PolarHBondContact O-N 2.93Å; Q149-V151 VanDerWaalsContact C-N 3.26Å; Q149-V151 PolarHBondContact O-N 2.87Å
150	D	56.3	Low	69.8	Low	60 Å²	60	81.6 Å²	81.6	32%	0.321	41%	0.413	S	S	.	.			trans	-83.9	57.9	-175.1	-76.3	-3.4	0	0	0	112.7	T152 K153 S528	D150-T152 PolarHBondContact O-N 2.92Å; D150-K153 PolarHBondContact O-N 2.72Å; D150-S528 WeakPolarHBondContact OD1-CB 3.33Å; D150-S528 PolarHBondContact OD1-OG 3.3Å
151	V	56.7	Low	70	Confident	137 Å²	137	83.4 Å²	83.4	83%	0.83	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.5	-176	-168.8	0	0	0	0	113.4	Q149	Q149-V151 VanDerWaalsContact C-N 3.26Å; Q149-V151 PolarHBondContact O-N 2.87Å
152	T	52	Low	69.9	Low	96 Å²	96	82.8 Å²	82.8	59%	0.589	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.4	-178.1	49.8	0	0	0	0	115.2	D150	D150-T152 PolarHBondContact O-N 2.92Å
153	K	51.5	Low	69.8	Low	156 Å²	156	79.6 Å²	79.6	68%	0.678	42%	0.416	S	S	*	.			trans	-144.5	93.5	-179.6	-83.7	-168.2	178.6	179.8	0	110.8	D150 V155	D150-K153 PolarHBondContact O-N 2.72Å; K153-V155 HydrophobicContact CB-CG2 4.11Å; K153-V155 PolarHBondContact O-N 3.35Å
154	Q	51.2	Low	69.5	Low	166 Å²	166	80 Å²	80	78%	0.776	43%	0.425	S	S	*	.			trans	-74.7	57.1	175.5	-158.7	169.8	35.5	0	0	111.9	Y156	Q154-Y156 HydrophobicContact CG-CE2 4.4Å; Q154-Y156 PolarHBondContact O-N 2.73Å; Q154-Y156 VanDerWaalsContact O-N 3.08Å
155	V	54.3	Low	69.2	Low	82 Å²	82	80.2 Å²	80.2	50%	0.497	43%	0.427	S	S	.	.			trans	-75.9	95.1	177.1	177	0	0	0	0	107.6	K153 C157 T164	K153-V155 HydrophobicContact CB-CG2 4.11Å; K153-V155 PolarHBondContact O-N 3.35Å; V155-C157 PolarHBondContact O-N 3.05Å; V155-T164 HydrophobicContact CG1-CG2 3.58Å
156	Y	68.7	Low	68.7	Low	145 Å²	145	82 Å²	82	57%	0.569	43%	0.432	S	S	*	.			trans	-50.7	124.3	164.2	-66.6	-88.4	0	0	0	108.4	Q154 P165	Q154-Y156 HydrophobicContact CG-CE2 4.4Å; Q154-Y156 PolarHBondContact O-N 2.73Å; Q154-Y156 VanDerWaalsContact O-N 3.08Å; Y156-P165 WeakPolarHBondContact O-CD 3.16Å
157	C	76.7	Confident	68.1	Low	39 Å²	39	83.5 Å²	83.5	26%	0.264	45%	0.447	S	S	.	.			trans	-143.4	152.3	174.8	73.6	0	0	0	0	109.6	V155 L159	V155-C157 PolarHBondContact O-N 3.05Å; C157-L159 PolarHBondContact O-N 3.4Å; C157-L159 VanDerWaalsContact O-N 3.09Å
158	C	88.3	Confident	67.5	Low	0 Å²	0	89.9 Å²	89.9	0%	0	47%	0.471	C	S	.	.			trans	-74.5	105.5	-176.9	-178.1	0	0	0	0	109.7	L160 C161 E162 Q163 W176 L186 C187 C190	C158-L160 PolarHBondContact O-N 3.48Å; C158-C161 VanDerWaalsContact CB-SG 3.58Å; C158-C161 PolarHBondContact O-N 2.96Å; C158-E162 WeakPolarHBondContact O-CA 3.46Å; C158-E162 PolarHBondContact O-N 2.97Å; C158-Q163 HydrophobicContact CB-CB 4.43Å; C158-Q163 PolarHBondContact N-O 3.48Å; C158-W176 HydrophobicContact CB-CH2 3.93Å; C158-W176 HydrophobicContact CB-CZ3 3.99Å; C158-L186 WeakPolarHBondContact SG-CD2 3.39Å; C158-C187 HydrophobicContact CB-CB 4.02Å; C158-C190 WeakPolarHBondContact SG-CB 3.41Å
159	L	83.8	Confident	67.2	Low	22 Å²	22	88 Å²	88	12%	0.115	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-17.4	-174.9	-65.5	166.2	0	0	0	114.8	V140 R143 V144 C157 N184 L186	V140-L159 HydrophobicContact CG1-CB 4.42Å; R143-L159 HydrophobicContact CB-CD2 4.48Å; R143-L159 WeakPolarHBondContact CD-O 3.43Å; R143-L159 PolarHBondContact NH1-O 2.81Å; V144-L159 HydrophobicContact CG2-CD1 3.75Å; V144-L159 HydrophobicContact CG2-CD2 3.83Å; V144-L159 HydrophobicContact CG2-CG 4.31Å; C157-L159 PolarHBondContact O-N 3.4Å; C157-L159 VanDerWaalsContact O-N 3.09Å; L159-N184 HydrophobicContact CD1-CB 4.06Å; L159-N184 WeakPolarHBondContact CD1-OD1 3.45Å; L159-L186 HydrophobicContact CB-CD2 4.26Å
160	L	88	Confident	67	Low	36 Å²	36	91.5 Å²	91.5	19%	0.188	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-35.8	172.7	-63.4	-165.8	0	0	0	114.6	V140 R143 C158 L186 C190 C206 K207 L208	V140-L160 HydrophobicContact CG1-CD2 4.33Å; V140-L160 HydrophobicContact CG2-CD2 3.55Å; R143-L160 VanDerWaalsContact NH1-C 3.25Å; R143-L160 PolarHBondContact NH1-O 3.27Å; C158-L160 PolarHBondContact O-N 3.48Å; L160-L186 HydrophobicContact CB-CD2 4.47Å; L160-L186 HydrophobicContact CD1-CD1 4.44Å; L160-L186 HydrophobicContact CG-CD1 4.5Å; L160-L186 HydrophobicContact CG-CD2 4.06Å; L160-C190 HydrophobicContact CB-CB 4.1Å; L160-C190 HydrophobicContact CD1-CB 4.17Å; L160-C206 HydrophobicContact CD1-CB 3.84Å; L160-K207 HydrophobicContact CD1-CB 4.28Å; L160-L208 HydrophobicContact CD1-CB 4.21Å; L160-L208 HydrophobicContact CD2-CB 3.94Å; L160-L208 HydrophobicContact CD2-CD2 4.11Å
161	C	89.4	Confident	66.7	Low	57 Å²	57	94.2 Å²	94.2	39%	0.385	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	5.8	-174.2	70.1	0	0	0	0	115.8	C158 Q163 C187 C190	C158-C161 VanDerWaalsContact CB-SG 3.58Å; C158-C161 PolarHBondContact O-N 2.96Å; C161-Q163 PolarHBondContact O-N 2.89Å; C161-Q163 VanDerWaalsContact SG-CB 3.51Å; C161-C187 VanDerWaalsContact SG-SG 3.62Å; C161-C190 PolarHBondContact SG-SG 2.68Å
162	E	84.1	Confident	66.4	Low	115 Å²	115	90.7 Å²	90.7	54%	0.537	49%	0.485	S	S	.	.			trans	60.5	-1.3	-178.9	-63	167.4	-151.1	0	0	115.5	R143 C158 T164	R143-E162 IonicContact CZ-OE1 2.76Å; R143-E162 IonicContact NE-OE1 3.7Å; R143-E162 PolarHBondContact NE-OE1 2.83Å; R143-E162 IonicContact NH2-OE1 2.69Å; R143-E162 PolarHBondContact NH2-OE1 2.98Å; C158-E162 WeakPolarHBondContact O-CA 3.46Å; C158-E162 PolarHBondContact O-N 2.97Å; E162-T164 PolarHBondContact O-N 3.33Å; E162-T164 VanDerWaalsContact O-N 3.1Å
163	Q	81.6	Confident	66.5	Low	67 Å²	67	95.7 Å²	95.7	31%	0.313	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-56.5	116.9	175.3	-171.7	174.2	21.9	0	0	110.6	C158 C161 W176 C187 N189	C158-Q163 HydrophobicContact CB-CB 4.43Å; C158-Q163 PolarHBondContact N-O 3.48Å; C161-Q163 PolarHBondContact O-N 2.89Å; C161-Q163 VanDerWaalsContact SG-CB 3.51Å; Q163-W176 VanDerWaalsContact O-CH2 3.31Å; Q163-W176 WeakPolarHBondContact O-CH2 3.47Å; Q163-C187 PolarHBondContact OE1-SG 2.98Å; Q163-C187 VanDerWaalsContact OE1-SG 3.33Å; Q163-N189 PolarHBondContact OE1-ND2 3.45Å
164	T	74	Confident	66.8	Low	66 Å²	66	95 Å²	95	41%	0.405	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-80.3	146	171.8	-55.9	0	0	0	0	108.9	V155 E162 L166	V155-T164 HydrophobicContact CG1-CG2 3.58Å; E162-T164 PolarHBondContact O-N 3.33Å; E162-T164 VanDerWaalsContact O-N 3.1Å; T164-L166 PolarHBondContact O-N 3.26Å
165	P	67.9	Low	67.9	Low	46 Å²	46	90.4 Å²	90.4	30%	0.299	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-62.6	132.3	168.1	26.1	-29.1	0	0	0	108.4	Y156 W176	Y156-P165 WeakPolarHBondContact O-CD 3.16Å; P165-W176 HydrophobicContact CB-CZ2 3.83Å; P165-W176 HydrophobicContact CG-CZ2 4.04Å
166	L	65	Low	69.3	Low	85 Å²	85	89.1 Å²	89.1	45%	0.445	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-64.1	128.6	174.8	-80.4	68.3	0	0	0	108	T164 E168	T164-L166 PolarHBondContact O-N 3.26Å; L166-E168 PolarHBondContact O-N 3.37Å
167	P	56.2	Low	70.3	Confident	117 Å²	117	84.9 Å²	84.9	76%	0.76	45%	0.453	S	S	*	.	S	Bend	trans	-65	126.6	169.1	28	-32.2	0	0	0	108.6
168	E	52.5	Low	70.9	Confident	187 Å²	187	86.7 Å²	86.7	87%	0.874	46%	0.462	S	S	*	.	S	Bend	trans	68.2	132.7	169.6	-57.7	172	-177.1	0	0	116.8	L166 Q170	L166-E168 PolarHBondContact O-N 3.37Å; E168-Q170 PolarHBondContact O-N 2.88Å
169	G	53.5	Low	71.2	Confident	83 Å²	83	86.7 Å²	86.7	86%	0.856	46%	0.462	S	S	*	.	S	Bend	trans	101.3	-52.4	157.3	0	0	0	0	0	118.5
170	Q	54.9	Low	71.6	Confident	160 Å²	160	89.7 Å²	89.7	75%	0.748	48%	0.476	S	S	*	.	S	Bend	trans	-110	-13.5	-166.1	-72.2	-171.1	-13.1	0	0	116.8	E168	E168-Q170 PolarHBondContact O-N 2.88Å
171	Y	50.9	Low	71.8	Confident	116 Å²	116	89 Å²	89	46%	0.455	47%	0.472	S	S	.	.	S	Bend	trans	-131.3	115.9	167.3	-64.1	-80.1	0	0	0	108
172	S	50.2	Low	71.9	Confident	63 Å²	63	88 Å²	88	44%	0.441	47%	0.466	S	S	.	.			trans	-62	160.5	165	63.8	0	0	0	0	109.9	Q174	S172-Q174 PolarHBondContact O-N 3.39Å; S172-Q174 PolarHBondContact OG-OE1 3.38Å; S172-Q174 VanDerWaalsContact OG-OE1 3.09Å
173	E	53.6	Low	72.2	Confident	201 Å²	201	88.7 Å²	88.7	94%	0.939	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	8.2	-175	-57.6	175.7	126.3	0	0	114.3
174	Q	57.9	Low	72.4	Confident	142 Å²	142	87.6 Å²	87.6	66%	0.664	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-12	-165.5	-63.6	165.3	-25.1	0	0	113.9	S172 K177	S172-Q174 PolarHBondContact O-N 3.39Å; S172-Q174 PolarHBondContact OG-OE1 3.38Å; S172-Q174 VanDerWaalsContact OG-OE1 3.09Å; Q174-K177 PolarHBondContact O-NZ 3.5Å
175	N	74.7	Confident	73.1	Confident	70 Å²	70	87.3 Å²	87.3	37%	0.374	46%	0.463	S	S	.	.			trans	-93.1	-11.2	-170	-82.3	-19.2	0	0	0	115.8	P188	N175-P188 HydrophobicContact CB-CG 4.14Å; N175-P188 WeakPolarHBondContact O-CG 2.94Å
176	W	83.7	Confident	74.1	Confident	54 Å²	54	85.2 Å²	85.2	21%	0.205	45%	0.45	C	S	.	.			trans	-76.5	140.8	171.9	-72.9	68.7	0	0	0	110.7	C158 Q163 P165 T185 L186 C187	C158-W176 HydrophobicContact CB-CH2 3.93Å; C158-W176 HydrophobicContact CB-CZ3 3.99Å; Q163-W176 VanDerWaalsContact O-CH2 3.31Å; Q163-W176 WeakPolarHBondContact O-CH2 3.47Å; P165-W176 HydrophobicContact CB-CZ2 3.83Å; P165-W176 HydrophobicContact CG-CZ2 4.04Å; W176-T185 HydrophobicContact CB-CG2 4.11Å; W176-T185 HydrophobicContact CE3-CG2 4.18Å; W176-L186 WeakPolarHBondContact CA-O 3.35Å; W176-C187 HydrophobicContact CD2-CB 4.48Å; W176-C187 HydrophobicContact CE3-CB 4.49Å; W176-C187 HydrophobicContact CH2-CB 4.05Å; W176-C187 HydrophobicContact CZ2-CB 3.96Å; W176-C187 HydrophobicContact CZ3-CB 4.31Å
177	K	88.8	Confident	75.3	Confident	56 Å²	56	81.2 Å²	81.2	24%	0.243	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.7	-177.6	-48.9	-63.4	170.3	-162.5	0	110.6	Q174 L186 V191 W204	Q174-K177 PolarHBondContact O-NZ 3.5Å; K177-L186 PolarHBondContact N-O 3.01Å; K177-L186 PolarHBondContact O-N 2.76Å; K177-V191 HydrophobicContact CB-CG1 4.3Å; K177-V191 HydrophobicContact CB-CG2 4.14Å; K177-V191 HydrophobicContact CG-CG2 4.16Å; K177-W204 HydrophobicContact CB-CB 4.2Å; K177-W204 HydrophobicContact CB-CD2 3.96Å; K177-W204 HydrophobicContact CB-CE3 4.36Å; K177-W204 HydrophobicContact CB-CG 3.85Å; K177-W204 HydrophobicContact CD-CD2 4.34Å; K177-W204 HydrophobicContact CD-CZ2 4.26Å; K177-W204 HydrophobicContact CG-CD2 3.81Å; K177-W204 HydrophobicContact CG-CE3 4.08Å; K177-W204 HydrophobicContact CG-CG 4.2Å; K177-W204 HydrophobicContact CG-CZ2 4.32Å; K177-W204 HydrophobicContact CG-CZ3 4.43Å
178	V	89.8	Confident	76.8	Confident	77 Å²	77	78.4 Å²	78.4	47%	0.467	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.1	179	-179.8	0	0	0	0	109.4	H180 T185	V178-H180 PolarHBondContact O-N 3.39Å; V178-T185 HydrophobicContact CG2-CG2 4.45Å
179	C	94	Very high	78.6	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.393	C	S	.	.			trans	-71.5	124.1	173.6	-178.2	0	0	0	0	111.1	D181 Q183 N184 L186 W204 C206	C179-D181 PolarHBondContact O-N 3.42Å; C179-Q183 WeakPolarHBondContact O-CA 3.07Å; C179-Q183 PolarHBondContact O-N 2.9Å; C179-N184 PolarHBondContact N-O 3.47Å; C179-L186 HydrophobicContact CB-CD1 4.37Å; C179-W204 CarbonylContact C-O 3.6Å; C179-W204 WeakPolarHBondContact CA-O 3.22Å; C179-C206 HydrophobicContact CB-CB 3.98Å; C179-C206 PolarHBondContact SG-N 2.91Å; C179-C206 VanDerWaalsContact SG-SG 3.69Å
180	H	93	Very high	80.5	Confident	86 Å²	86	70.6 Å²	70.6	40%	0.398	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-49.6	174.1	174.4	-80.3	0	0	0	112.5	V178 F203 W204 L205	V178-H180 PolarHBondContact O-N 3.39Å; H180-F203 HydrophobicContact CB-CB 4.36Å; H180-F203 HydrophobicContact CB-CD2 3.81Å; H180-F203 HydrophobicContact CB-CG 4.48Å; H180-F203 AromaticContact CG-CD2 3.95Å; H180-W204 PolarHBondContact N-O 3.14Å; H180-L205 HydrophobicContact CB-CD2 4.07Å
181	D	92.1	Very high	82.3	Confident	21 Å²	21	63.5 Å²	63.5	11%	0.112	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.4	-170.5	-70.6	-3.3	0	0	0	114.8	C179 L205 C209 R213	C179-D181 PolarHBondContact O-N 3.42Å; D181-L205 HydrophobicContact CB-CD2 3.99Å; D181-L205 VanDerWaalsContact OD2-CD2 3.29Å; D181-L205 WeakPolarHBondContact OD2-CD2 3.24Å; D181-C209 HydrophobicContact CB-CB 3.8Å; D181-R213 IonicContact OD1-CZ 3.09Å; D181-R213 IonicContact OD1-NE 2.69Å; D181-R213 IonicContact OD1-NH2 3.93Å; D181-R213 PolarHBondContact OD1-NH2 2.84Å; D181-R213 IonicContact OD2-CZ 3.83Å; D181-R213 IonicContact OD2-NE 2.91Å; D181-R213 PolarHBondContact OD2-NE 2.8Å; D181-R213 IonicContact OD2-NH2 2.73Å; D181-R213 PolarHBondContact OD2-NH2 3.38Å
182	C	91.3	Very high	84.2	Confident	36 Å²	36	59.6 Å²	59.6	24%	0.243	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	7.4	-177	71.9	0	0	0	0	114.7	N184	C182-N184 PolarHBondContact O-N 3.08Å; C182-N184 PolarHBondContact O-ND2 2.73Å; C182-N184 PolarHBondContact SG-ND2 2.94Å
183	Q	90.3	Very high	86.2	Confident	129 Å²	129	60.8 Å²	60.8	60%	0.603	31%	0.31	S	S	*	.			trans	54.2	13.2	174.7	-58.3	-176.3	-7.3	0	0	115.9	C179	C179-Q183 WeakPolarHBondContact O-CA 3.07Å; C179-Q183 PolarHBondContact O-N 2.9Å
184	N	86.3	Confident	87.8	Confident	45 Å²	45	51.8 Å²	51.8	24%	0.241	27%	0.269	C	S	.	.			trans	-83.4	132.3	179.6	-73.8	-70.6	0	0	0	111.4	L159 C179 C182	L159-N184 HydrophobicContact CD1-CB 4.06Å; L159-N184 WeakPolarHBondContact CD1-OD1 3.45Å; C179-N184 PolarHBondContact N-O 3.47Å; C182-N184 PolarHBondContact O-N 3.08Å; C182-N184 PolarHBondContact O-ND2 2.73Å; C182-N184 PolarHBondContact SG-ND2 2.94Å
185	T	87.9	Confident	88.8	Confident	60 Å²	60	46.6 Å²	46.6	37%	0.368	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.4	173.8	-45.7	0	0	0	0	110.7	W176 V178	W176-T185 HydrophobicContact CB-CG2 4.11Å; W176-T185 HydrophobicContact CE3-CG2 4.18Å; V178-T185 HydrophobicContact CG2-CG2 4.45Å
186	L	89	Confident	88.2	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155	-167.6	-65.4	167.3	0	0	0	112.2	C158 L159 L160 W176 K177 C179 C190 V191 C206	C158-L186 WeakPolarHBondContact SG-CD2 3.39Å; L159-L186 HydrophobicContact CB-CD2 4.26Å; L160-L186 HydrophobicContact CB-CD2 4.47Å; L160-L186 HydrophobicContact CD1-CD1 4.44Å; L160-L186 HydrophobicContact CG-CD1 4.5Å; L160-L186 HydrophobicContact CG-CD2 4.06Å; W176-L186 WeakPolarHBondContact CA-O 3.35Å; K177-L186 PolarHBondContact N-O 3.01Å; K177-L186 PolarHBondContact O-N 2.76Å; C179-L186 HydrophobicContact CB-CD1 4.37Å; L186-C190 HydrophobicContact CB-CB 4.45Å; L186-V191 HydrophobicContact CB-CG1 3.65Å; L186-V191 HydrophobicContact CD1-CG1 4.05Å; L186-C206 HydrophobicContact CD1-CB 3.1Å
187	C	90.9	Very high	86.8	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	28%	0.28	C	S	.	.			trans	-73.5	157.9	176.9	75.8	0	0	0	0	111.6	C158 C161 Q163 W176 N189 C190	C158-C187 HydrophobicContact CB-CB 4.02Å; C161-C187 VanDerWaalsContact SG-SG 3.62Å; Q163-C187 PolarHBondContact OE1-SG 2.98Å; Q163-C187 VanDerWaalsContact OE1-SG 3.33Å; W176-C187 HydrophobicContact CD2-CB 4.48Å; W176-C187 HydrophobicContact CE3-CB 4.49Å; W176-C187 HydrophobicContact CH2-CB 4.05Å; W176-C187 HydrophobicContact CZ2-CB 3.96Å; W176-C187 HydrophobicContact CZ3-CB 4.31Å; C187-N189 PolarHBondContact O-N 3.4Å; C187-N189 VanDerWaalsContact O-N 3.08Å; C187-C190 PolarHBondContact O-N 2.92Å
188	P	88.6	Confident	85.3	Confident	58 Å²	58	54.5 Å²	54.5	38%	0.377	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-47.3	-40.6	178.6	-30.3	34	0	0	0	114.3	N175 C190 V191	N175-P188 HydrophobicContact CB-CG 4.14Å; N175-P188 WeakPolarHBondContact O-CG 2.94Å; P188-C190 PolarHBondContact O-N 2.9Å; P188-C190 VanDerWaalsContact O-N 3.08Å; P188-V191 WeakPolarHBondContact O-CG2 3.2Å; P188-V191 PolarHBondContact O-N 3.46Å
189	N	90.1	Very high	83.4	Confident	94 Å²	94	58 Å²	58	50%	0.503	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.7	-12.8	-177.7	-61.9	-39.9	0	0	0	114.3	Q163 C187 K207	Q163-N189 PolarHBondContact OE1-ND2 3.45Å; C187-N189 PolarHBondContact O-N 3.4Å; C187-N189 VanDerWaalsContact O-N 3.08Å; N189-K207 VanDerWaalsContact O-CE 3.3Å; N189-K207 WeakPolarHBondContact O-CE 3.47Å; N189-K207 PolarHBondContact O-NZ 3.15Å
190	C	93	Very high	81.8	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.074	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-116.5	-0.2	-175.2	-76.1	0	0	0	0	114.7	C158 L160 C161 L186 C187 P188 C206 K207	C158-C190 WeakPolarHBondContact SG-CB 3.41Å; L160-C190 HydrophobicContact CB-CB 4.1Å; L160-C190 HydrophobicContact CD1-CB 4.17Å; C161-C190 PolarHBondContact SG-SG 2.68Å; L186-C190 HydrophobicContact CB-CB 4.45Å; C187-C190 PolarHBondContact O-N 2.92Å; P188-C190 PolarHBondContact O-N 2.9Å; P188-C190 VanDerWaalsContact O-N 3.08Å; C190-C206 WeakPolarHBondContact O-CA 3.18Å; C190-K207 PolarHBondContact O-N 3.13Å
191	V	91.8	Very high	80.7	Confident	11 Å²	11	65.1 Å²	65.1	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	160.1	176.2	-63.3	0	0	0	0	111.6	K177 L186 P188 W204 L205	K177-V191 HydrophobicContact CB-CG1 4.3Å; K177-V191 HydrophobicContact CB-CG2 4.14Å; K177-V191 HydrophobicContact CG-CG2 4.16Å; L186-V191 HydrophobicContact CB-CG1 3.65Å; L186-V191 HydrophobicContact CD1-CG1 4.05Å; P188-V191 WeakPolarHBondContact O-CG2 3.2Å; P188-V191 PolarHBondContact O-N 3.46Å; V191-W204 HydrophobicContact CB-CE3 3.98Å; V191-W204 HydrophobicContact CG2-CE3 3.66Å; V191-W204 HydrophobicContact CG2-CZ3 3.98Å; V191-L205 CarbonylContact C-O 3.59Å; V191-L205 VanDerWaalsContact CA-O 3.29Å; V191-L205 WeakPolarHBondContact CA-O 3.3Å
192	V	92	Very high	80.1	Confident	35 Å²	35	69.8 Å²	69.8	21%	0.212	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.9	174.5	178	0	0	0	0	107.6	I194 L205 K207	V192-I194 HydrophobicContact CG1-CD1 4.33Å; V192-L205 PolarHBondContact N-O 2.85Å; V192-L205 PolarHBondContact O-N 3.1Å; V192-K207 HydrophobicContact CG2-CG 4.23Å
193	Q	90.7	Very high	80	Confident	88 Å²	88	69.3 Å²	69.3	41%	0.411	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.9	177.3	-165.3	175.3	-2.1	0	0	110.1	M202 W204	Q193-M202 PolarHBondContact NE2-SD 2.84Å; Q193-W204 HydrophobicContact CB-CD2 4.4Å; Q193-W204 HydrophobicContact CB-CE3 4Å; Q193-W204 HydrophobicContact CB-CH2 3.84Å; Q193-W204 HydrophobicContact CB-CZ2 4.22Å; Q193-W204 HydrophobicContact CB-CZ3 3.73Å; Q193-W204 HydrophobicContact CG-CH2 4.14Å; Q193-W204 HydrophobicContact CG-CZ2 4.03Å; Q193-W204 HydrophobicContact CG-CZ3 4.43Å
194	I	88	Confident	80.1	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.062	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.7	178.4	-47.5	-65.4	0	0	0	108.4	V192 M202 F203 L205 F732 L831	V192-I194 HydrophobicContact CG1-CD1 4.33Å; I194-M202 WeakPolarHBondContact O-CA 3.3Å; I194-F203 HydrophobicContact CB-CD1 4.28Å; I194-F203 HydrophobicContact CB-CD2 4.03Å; I194-F203 HydrophobicContact CB-CE1 3.99Å; I194-F203 HydrophobicContact CB-CE2 3.73Å; I194-F203 HydrophobicContact CB-CG 4.31Å; I194-F203 HydrophobicContact CB-CZ 3.71Å; I194-F203 HydrophobicContact CG1-CD2 4.28Å; I194-F203 HydrophobicContact CG1-CE2 3.94Å; I194-F203 HydrophobicContact CG1-CZ 4.34Å; I194-F203 HydrophobicContact CG2-CE1 3.75Å; I194-F203 HydrophobicContact CG2-CE2 3.88Å; I194-F203 HydrophobicContact CG2-CZ 3.39Å; I194-F203 PolarHBondContact N-O 2.96Å; I194-F203 PolarHBondContact O-N 3.4Å; I194-L205 HydrophobicContact CD1-CD1 4.08Å; I194-L205 HydrophobicContact CD1-CG 4.46Å; I194-L205 HydrophobicContact CG1-CB 4.23Å; I194-L205 HydrophobicContact CG1-CD1 3.77Å; I194-L205 HydrophobicContact CG1-CG 3.78Å; I194-F732 HydrophobicContact CD1-CZ 3.75Å; I194-L831 HydrophobicContact CG2-CD2 3.56Å
195	G	78.3	Confident	80.5	Confident	33 Å²	33	64.6 Å²	64.6	34%	0.34	35%	0.348	S	S	.	.	S	Bend	trans	115.9	173.8	-174.8	0	0	0	0	0	112.5
196	K	63.3	Low	80.8	Confident	86 Å²	86	61.9 Å²	61.9	37%	0.374	33%	0.331	S	S	.	.			trans	-118.9	149	173.8	-63.5	172.3	-177.4	163.3	0	108.7	V198 D828	K196-V198 HydrophobicContact CB-CG2 4.46Å; K196-V198 PolarHBondContact O-N 3.45Å; K196-D828 WeakPolarHBondContact CD-OD1 3.43Å; K196-D828 WeakPolarHBondContact CE-OD1 3.15Å; K196-D828 IonicContact NZ-OD1 3.23Å; K196-D828 PolarHBondContact NZ-OD1 3.5Å; K196-D828 IonicContact NZ-OD2 3.04Å; K196-D828 PolarHBondContact NZ-OD2 2.97Å
197	N	54.8	Low	81	Confident	144 Å²	144	66.7 Å²	66.7	77%	0.77	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	2.5	-178.3	-85.8	-3.2	0	0	0	116.7
198	V	55.9	Low	81.2	Confident	116 Å²	116	67.6 Å²	67.6	70%	0.703	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-68.2	-163.9	-151.3	0	0	0	0	112.6	K196	K196-V198 HydrophobicContact CB-CG2 4.46Å; K196-V198 PolarHBondContact O-N 3.45Å
199	D	51.2	Low	81.5	Confident	149 Å²	149	65 Å²	65	80%	0.797	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	35.8	-171.1	-68.5	-75.1	0	0	0	113.3
200	S	60.6	Low	81.6	Confident	57 Å²	57	62 Å²	62	40%	0.399	32%	0.323	S	S	.	.	S	Bend	trans	-152	140.5	176.6	-62.6	0	0	0	0	111.6	M202	S200-M202 PolarHBondContact O-N 3Å
201	E	68.4	Low	81.6	Confident	179 Å²	179	67.3 Å²	67.3	84%	0.836	35%	0.345	S	S	*	.			trans	-57.7	121.5	-177.6	-65.9	-173.3	158.7	0	0	111.6	F203	E201-F203 PolarHBondContact O-N 2.92Å
202	M	80.3	Confident	81.6	Confident	120 Å²	120	70.2 Å²	70.2	59%	0.591	36%	0.356	S	S	*	.			trans	-74.1	118.1	173.7	50.3	161.1	178.9	0	0	110.4	Q193 I194 S200	Q193-M202 PolarHBondContact NE2-SD 2.84Å; I194-M202 WeakPolarHBondContact O-CA 3.3Å; S200-M202 PolarHBondContact O-N 3Å
203	F	89.1	Confident	81.6	Confident	26 Å²	26	70.2 Å²	70.2	11%	0.114	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	159.3	178.3	65.8	-87	0	0	0	111.8	H180 I194 E201 L205	H180-F203 HydrophobicContact CB-CB 4.36Å; H180-F203 HydrophobicContact CB-CD2 3.81Å; H180-F203 HydrophobicContact CB-CG 4.48Å; H180-F203 AromaticContact CG-CD2 3.95Å; I194-F203 HydrophobicContact CB-CD1 4.28Å; I194-F203 HydrophobicContact CB-CD2 4.03Å; I194-F203 HydrophobicContact CB-CE1 3.99Å; I194-F203 HydrophobicContact CB-CE2 3.73Å; I194-F203 HydrophobicContact CB-CG 4.31Å; I194-F203 HydrophobicContact CB-CZ 3.71Å; I194-F203 HydrophobicContact CG1-CD2 4.28Å; I194-F203 HydrophobicContact CG1-CE2 3.94Å; I194-F203 HydrophobicContact CG1-CZ 4.34Å; I194-F203 HydrophobicContact CG2-CE1 3.75Å; I194-F203 HydrophobicContact CG2-CE2 3.88Å; I194-F203 HydrophobicContact CG2-CZ 3.39Å; I194-F203 PolarHBondContact N-O 2.96Å; I194-F203 PolarHBondContact O-N 3.4Å; E201-F203 PolarHBondContact O-N 2.92Å; F203-L205 HydrophobicContact CD2-CD2 4.26Å; F203-L205 HydrophobicContact CD2-CG 4.2Å; F203-L205 HydrophobicContact CE2-CD1 4.18Å; F203-L205 HydrophobicContact CE2-CD2 4.12Å; F203-L205 HydrophobicContact CE2-CG 3.96Å
204	W	92	Very high	81.5	Confident	72 Å²	72	69.8 Å²	69.8	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.2	-177.4	-63.8	85.5	0	0	0	110.2	K177 C179 H180 V191 Q193	K177-W204 HydrophobicContact CB-CB 4.2Å; K177-W204 HydrophobicContact CB-CD2 3.96Å; K177-W204 HydrophobicContact CB-CE3 4.36Å; K177-W204 HydrophobicContact CB-CG 3.85Å; K177-W204 HydrophobicContact CD-CD2 4.34Å; K177-W204 HydrophobicContact CD-CZ2 4.26Å; K177-W204 HydrophobicContact CG-CD2 3.81Å; K177-W204 HydrophobicContact CG-CE3 4.08Å; K177-W204 HydrophobicContact CG-CG 4.2Å; K177-W204 HydrophobicContact CG-CZ2 4.32Å; K177-W204 HydrophobicContact CG-CZ3 4.43Å; C179-W204 CarbonylContact C-O 3.6Å; C179-W204 WeakPolarHBondContact CA-O 3.22Å; H180-W204 PolarHBondContact N-O 3.14Å; V191-W204 HydrophobicContact CB-CE3 3.98Å; V191-W204 HydrophobicContact CG2-CE3 3.66Å; V191-W204 HydrophobicContact CG2-CZ3 3.98Å; Q193-W204 HydrophobicContact CB-CD2 4.4Å; Q193-W204 HydrophobicContact CB-CE3 4Å; Q193-W204 HydrophobicContact CB-CH2 3.84Å; Q193-W204 HydrophobicContact CB-CZ2 4.22Å; Q193-W204 HydrophobicContact CB-CZ3 3.73Å; Q193-W204 HydrophobicContact CG-CH2 4.14Å; Q193-W204 HydrophobicContact CG-CZ2 4.03Å; Q193-W204 HydrophobicContact CG-CZ3 4.43Å
205	L	94.4	Very high	81.6	Confident	3 Å²	3	70 Å²	70	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143	168.8	-68.7	-177.8	0	0	0	110.3	H180 D181 V191 V192 I194 F203	H180-L205 HydrophobicContact CB-CD2 4.07Å; D181-L205 HydrophobicContact CB-CD2 3.99Å; D181-L205 VanDerWaalsContact OD2-CD2 3.29Å; D181-L205 WeakPolarHBondContact OD2-CD2 3.24Å; V191-L205 CarbonylContact C-O 3.59Å; V191-L205 VanDerWaalsContact CA-O 3.29Å; V191-L205 WeakPolarHBondContact CA-O 3.3Å; V192-L205 PolarHBondContact N-O 2.85Å; V192-L205 PolarHBondContact O-N 3.1Å; I194-L205 HydrophobicContact CD1-CD1 4.08Å; I194-L205 HydrophobicContact CD1-CG 4.46Å; I194-L205 HydrophobicContact CG1-CB 4.23Å; I194-L205 HydrophobicContact CG1-CD1 3.77Å; I194-L205 HydrophobicContact CG1-CG 3.78Å; F203-L205 HydrophobicContact CD2-CD2 4.26Å; F203-L205 HydrophobicContact CD2-CG 4.2Å; F203-L205 HydrophobicContact CE2-CD1 4.18Å; F203-L205 HydrophobicContact CE2-CD2 4.12Å; F203-L205 HydrophobicContact CE2-CG 3.96Å
206	C	94.9	Very high	82	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.014	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	150.4	167.4	77	0	0	0	0	110.4	L160 C179 L186 C190 L208 C209 Q210	L160-C206 HydrophobicContact CD1-CB 3.84Å; C179-C206 HydrophobicContact CB-CB 3.98Å; C179-C206 PolarHBondContact SG-N 2.91Å; C179-C206 VanDerWaalsContact SG-SG 3.69Å; L186-C206 HydrophobicContact CD1-CB 3.1Å; C190-C206 WeakPolarHBondContact O-CA 3.18Å; C206-L208 PolarHBondContact O-N 3.14Å; C206-C209 PolarHBondContact O-N 2.69Å; C206-C209 PolarHBondContact SG-N 2.96Å; C206-C209 PolarHBondContact SG-SG 3.37Å; C206-Q210 PolarHBondContact O-N 3.11Å
207	K	93.9	Very high	83	Confident	102 Å²	102	68.7 Å²	68.7	44%	0.443	34%	0.344	S	S	.	.	H	α-helix	trans	-54.4	-25.2	178.5	-73.5	178.8	174.4	173.2	0	113.5	L160 N189 C190 V192 K211	L160-K207 HydrophobicContact CD1-CB 4.28Å; N189-K207 VanDerWaalsContact O-CE 3.3Å; N189-K207 WeakPolarHBondContact O-CE 3.47Å; N189-K207 PolarHBondContact O-NZ 3.15Å; C190-K207 PolarHBondContact O-N 3.13Å; V192-K207 HydrophobicContact CG2-CG 4.23Å; K207-K211 WeakPolarHBondContact O-CB 3.48Å; K207-K211 WeakPolarHBondContact O-CG 3.47Å; K207-K211 PolarHBondContact O-N 3.02Å
208	L	93.8	Very high	84.5	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-72.7	-47.7	173.2	-179.4	61	0	0	0	112.7	L133 T136 E137 V140 L160 C206 K211 K212	L133-L208 HydrophobicContact CD1-CD1 3.67Å; T136-L208 VanDerWaalsContact OG1-CD1 3.3Å; T136-L208 WeakPolarHBondContact OG1-CD1 3.22Å; E137-L208 HydrophobicContact CG-CD1 4Å; E137-L208 HydrophobicContact CG-CD2 4.2Å; E137-L208 HydrophobicContact CG-CG 4.44Å; V140-L208 HydrophobicContact CB-CD2 4.33Å; V140-L208 HydrophobicContact CG2-CD2 4.08Å; L160-L208 HydrophobicContact CD1-CB 4.21Å; L160-L208 HydrophobicContact CD2-CB 3.94Å; L160-L208 HydrophobicContact CD2-CD2 4.11Å; C206-L208 PolarHBondContact O-N 3.14Å; L208-K211 WeakPolarHBondContact O-CB 3.5Å; L208-K211 PolarHBondContact O-N 3.03Å; L208-K212 PolarHBondContact O-N 3.42Å
209	C	94.8	Very high	86	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-72.7	-32.6	178.5	-65.5	0	0	0	0	112.2	D181 C206 K211 K212 R213	D181-C209 HydrophobicContact CB-CB 3.8Å; C206-C209 PolarHBondContact O-N 2.69Å; C206-C209 PolarHBondContact SG-N 2.96Å; C206-C209 PolarHBondContact SG-SG 3.37Å; C209-K211 VanDerWaalsContact C-N 3.33Å; C209-K211 PolarHBondContact O-N 2.74Å; C209-K212 WeakPolarHBondContact O-CB 3.49Å; C209-K212 PolarHBondContact O-N 3.39Å; C209-R213 PolarHBondContact O-N 3.3Å
210	Q	93.5	Very high	87.6	Confident	30 Å²	30	52 Å²	52	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-47.2	167.3	-170.9	-170	13.6	0	0	110.9	C206 R213 Q214 F732	C206-Q210 PolarHBondContact O-N 3.11Å; Q210-R213 PolarHBondContact O-N 3.2Å; Q210-Q214 WeakPolarHBondContact O-CB 3.42Å; Q210-Q214 PolarHBondContact O-N 3.49Å; Q210-F732 HydrophobicContact CG-CE1 4.48Å
211	K	92	Very high	88.5	Confident	123 Å²	123	51 Å²	51	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-38.3	173.8	-79.9	-173.6	173.9	-162	0	113.2	L133 K207 L208 C209 Q214 L215	L133-K211 HydrophobicContact CD1-CB 4.14Å; K207-K211 WeakPolarHBondContact O-CB 3.48Å; K207-K211 WeakPolarHBondContact O-CG 3.47Å; K207-K211 PolarHBondContact O-N 3.02Å; L208-K211 WeakPolarHBondContact O-CB 3.5Å; L208-K211 PolarHBondContact O-N 3.03Å; C209-K211 VanDerWaalsContact C-N 3.33Å; C209-K211 PolarHBondContact O-N 2.74Å; K211-Q214 PolarHBondContact O-N 2.96Å; K211-L215 WeakPolarHBondContact O-CB 3.45Å; K211-L215 PolarHBondContact O-N 3.22Å
212	K	92.6	Very high	89.1	Confident	72 Å²	72	45.2 Å²	45.2	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-55.9	-58.1	171.6	-67.9	-179	179.3	-94.4	0	110.4	L133 E137 L208 C209 Q214 L215 T216	L133-K212 HydrophobicContact CD1-CG 4.13Å; L133-K212 HydrophobicContact CD2-CG 4.11Å; E137-K212 VanDerWaalsContact OE1-CE 3.3Å; E137-K212 WeakPolarHBondContact OE1-CE 3.36Å; E137-K212 IonicContact OE1-NZ 2.92Å; E137-K212 PolarHBondContact OE1-NZ 3.43Å; E137-K212 IonicContact OE2-NZ 2.97Å; E137-K212 PolarHBondContact OE2-NZ 2.9Å; L208-K212 PolarHBondContact O-N 3.42Å; C209-K212 WeakPolarHBondContact O-CB 3.49Å; C209-K212 PolarHBondContact O-N 3.39Å; K212-Q214 VanDerWaalsContact C-N 3.34Å; K212-Q214 PolarHBondContact O-N 2.72Å; K212-L215 PolarHBondContact O-N 3.28Å; K212-L215 VanDerWaalsContact O-N 3.15Å; K212-T216 PolarHBondContact O-N 3.09Å; K212-T216 PolarHBondContact O-OG1 2.66Å; K212-T216 VanDerWaalsContact O-OG1 3.07Å
213	R	91.1	Very high	88.9	Confident	34 Å²	34	41 Å²	41	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-56.1	-46.7	179.4	-68	-168.9	-176.1	-147.8	4.9	111.3	D181 C209 Q210 L215 T216 V217 N835	D181-R213 IonicContact OD1-CZ 3.09Å; D181-R213 IonicContact OD1-NE 2.69Å; D181-R213 IonicContact OD1-NH2 3.93Å; D181-R213 PolarHBondContact OD1-NH2 2.84Å; D181-R213 IonicContact OD2-CZ 3.83Å; D181-R213 IonicContact OD2-NE 2.91Å; D181-R213 PolarHBondContact OD2-NE 2.8Å; D181-R213 IonicContact OD2-NH2 2.73Å; D181-R213 PolarHBondContact OD2-NH2 3.38Å; C209-R213 PolarHBondContact O-N 3.3Å; Q210-R213 PolarHBondContact O-N 3.2Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.49Å; R213-T216 PolarHBondContact O-N 3.37Å; R213-V217 WeakPolarHBondContact O-CB 3.49Å; R213-V217 WeakPolarHBondContact O-CG2 3.4Å; R213-V217 PolarHBondContact O-N 3.02Å; R213-N835 PolarHBondContact NH1-OD1 2.89Å; R213-N835 PolarHBondContact NH2-OD1 3.38Å
214	Q	88.1	Confident	87.9	Confident	80 Å²	80	47 Å²	47	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-38.8	178.7	-169.6	-179.9	30	0	0	112.7	Q210 K211 K212 S218	Q210-Q214 WeakPolarHBondContact O-CB 3.42Å; Q210-Q214 PolarHBondContact O-N 3.49Å; K211-Q214 PolarHBondContact O-N 2.96Å; K212-Q214 VanDerWaalsContact C-N 3.34Å; K212-Q214 PolarHBondContact O-N 2.72Å; Q214-S218 VanDerWaalsContact O-CB 3.27Å; Q214-S218 WeakPolarHBondContact O-CB 3.25Å; Q214-S218 PolarHBondContact O-N 3.07Å; Q214-S218 PolarHBondContact O-OG 2.88Å
215	L	90	Very high	86.2	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-44	176.2	-177.8	56.1	0	0	0	111.8	L129 Q130 L133 K211 K212 R213 V217 S218 S219	L129-L215 HydrophobicContact CB-CD1 3.63Å; L129-L215 HydrophobicContact CB-CD2 4.19Å; L129-L215 HydrophobicContact CD1-CD1 4.02Å; L129-L215 HydrophobicContact CG-CD1 4.48Å; Q130-L215 HydrophobicContact CB-CD2 4.38Å; Q130-L215 HydrophobicContact CG-CD2 3.78Å; L133-L215 HydrophobicContact CB-CD2 4.44Å; L133-L215 HydrophobicContact CD2-CD2 3.67Å; K211-L215 WeakPolarHBondContact O-CB 3.45Å; K211-L215 PolarHBondContact O-N 3.22Å; K212-L215 PolarHBondContact O-N 3.28Å; K212-L215 VanDerWaalsContact O-N 3.15Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.49Å; L215-V217 PolarHBondContact O-N 2.8Å; L215-S218 PolarHBondContact O-N 3.31Å; L215-S219 VanDerWaalsContact O-CB 3.32Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 3.4Å; L215-S219 PolarHBondContact O-OG 3.02Å
216	T	87.4	Confident	84.5	Confident	65 Å²	65	47 Å²	47	40%	0.399	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-37.6	175.8	-55	0	0	0	0	111.8	K212 R213 S221 W222	K212-T216 PolarHBondContact O-N 3.09Å; K212-T216 PolarHBondContact O-OG1 2.66Å; K212-T216 VanDerWaalsContact O-OG1 3.07Å; R213-T216 PolarHBondContact O-N 3.37Å; T216-S221 PolarHBondContact O-N 2.93Å; T216-S221 VanDerWaalsContact O-N 3.15Å; T216-W222 HydrophobicContact CG2-CB 4.14Å; T216-W222 PolarHBondContact O-N 3.19Å
217	V	85.5	Confident	82.5	Confident	25 Å²	25	49.7 Å²	49.7	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-72.2	-57.7	175.6	171.8	0	0	0	0	111.6	R213 L215 S219 G220 F733 Y830 L834	R213-V217 WeakPolarHBondContact O-CB 3.49Å; R213-V217 WeakPolarHBondContact O-CG2 3.4Å; R213-V217 PolarHBondContact O-N 3.02Å; L215-V217 PolarHBondContact O-N 2.8Å; V217-S219 PolarHBondContact O-N 3.32Å; V217-G220 PolarHBondContact O-N 3.38Å; V217-F733 HydrophobicContact CG1-CZ 4.16Å; V217-Y830 VanDerWaalsContact CG1-OH 3.26Å; V217-Y830 WeakPolarHBondContact CG1-OH 3.27Å; V217-Y830 WeakPolarHBondContact CG2-OH 3.33Å; V217-L834 HydrophobicContact CG2-CD2 4.24Å
218	S	85.8	Confident	80.7	Confident	41 Å²	41	54.7 Å²	54.7	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-75	-3.7	-172.1	63.1	0	0	0	0	115.2	R125 Q214 L215	R125-S218 PolarHBondContact NH2-O 3.07Å; Q214-S218 VanDerWaalsContact O-CB 3.27Å; Q214-S218 WeakPolarHBondContact O-CB 3.25Å; Q214-S218 PolarHBondContact O-N 3.07Å; Q214-S218 PolarHBondContact O-OG 2.88Å; L215-S218 PolarHBondContact O-N 3.31Å
219	S	87	Confident	78.7	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.028	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.6	167.1	58.6	0	0	0	0	113.2	L215 V217 S221 R250	L215-S219 VanDerWaalsContact O-CB 3.32Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 3.4Å; L215-S219 PolarHBondContact O-OG 3.02Å; V217-S219 PolarHBondContact O-N 3.32Å; S219-S221 PolarHBondContact O-N 2.95Å; S219-S221 WeakPolarHBondContact OG-CB 3.43Å; S219-S221 PolarHBondContact OG-N 3.15Å; S219-S221 PolarHBondContact OG-OG 3.37Å; S219-R250 PolarHBondContact O-NE 2.62Å; S219-R250 PolarHBondContact O-NH2 3.4Å
220	G	84.1	Confident	76.4	Confident	14 Å²	14	62 Å²	62	14%	0.144	33%	0.326	C	S	.	.			trans	69.3	4.1	-170.2	0	0	0	0	0	114.7	V217 W222 L223	V217-G220 PolarHBondContact O-N 3.38Å; G220-W222 PolarHBondContact O-N 2.94Å; G220-L223 VanDerWaalsContact O-CB 3.29Å; G220-L223 WeakPolarHBondContact O-CB 3.18Å; G220-L223 PolarHBondContact O-N 3.48Å
221	S	80.3	Confident	74.5	Confident	35 Å²	35	66.7 Å²	66.7	25%	0.245	35%	0.352	C	S	.	.	H	α-helix	trans	-56.4	-26.7	-177	-60.8	0	0	0	0	113.5	T216 S219 L223 Q224 G225	T216-S221 PolarHBondContact O-N 2.93Å; T216-S221 VanDerWaalsContact O-N 3.15Å; S219-S221 PolarHBondContact O-N 2.95Å; S219-S221 WeakPolarHBondContact OG-CB 3.43Å; S219-S221 PolarHBondContact OG-N 3.15Å; S219-S221 PolarHBondContact OG-OG 3.37Å; S221-L223 PolarHBondContact O-N 3.26Å; S221-Q224 WeakPolarHBondContact O-CB 3.35Å; S221-Q224 PolarHBondContact O-N 3.19Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; S221-G225 PolarHBondContact O-N 2.94Å
222	W	80.1	Confident	73.1	Confident	59 Å²	59	64.1 Å²	64.1	22%	0.223	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-31.7	173	65.9	-91	0	0	0	113.8	T216 G220 Q224 G225 L226 I242 W833 L837	T216-W222 HydrophobicContact CG2-CB 4.14Å; T216-W222 PolarHBondContact O-N 3.19Å; G220-W222 PolarHBondContact O-N 2.94Å; W222-Q224 VanDerWaalsContact C-N 3.32Å; W222-G225 PolarHBondContact O-N 3.3Å; W222-L226 HydrophobicContact CE3-CD1 4.32Å; W222-L226 WeakPolarHBondContact O-CD1 3.34Å; W222-I242 HydrophobicContact CZ3-CD1 4.38Å; W222-W833 AromaticContact CD2-CH2 3.61Å; W222-W833 HydrophobicContact CD2-CH2 3.61Å; W222-W833 HydrophobicContact CD2-CZ2 4.17Å; W222-W833 AromaticContact CE3-CH2 3.31Å; W222-W833 HydrophobicContact CE3-CH2 3.31Å; W222-W833 AromaticContact CE3-CZ2 3.39Å; W222-W833 HydrophobicContact CE3-CZ2 3.39Å; W222-W833 HydrophobicContact CG-CH2 4.2Å; W222-W833 HydrophobicContact CH2-CH2 4.08Å; W222-W833 HydrophobicContact CH2-CZ2 4.25Å; W222-W833 HydrophobicContact CZ2-CH2 4.37Å; W222-W833 AromaticContact CZ3-CH2 3.56Å; W222-W833 HydrophobicContact CZ3-CH2 3.56Å; W222-W833 AromaticContact CZ3-CZ2 3.43Å; W222-W833 HydrophobicContact CZ3-CZ2 3.43Å; W222-W833 VanDerWaalsContact CZ3-CZ2 3.43Å; W222-L837 HydrophobicContact CB-CD1 4.4Å
223	L	77.1	Confident	71.8	Confident	31 Å²	31	68.4 Å²	68.4	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-35.7	177	-69.1	159.3	0	0	0	111.7	G220 S221 L226 I242 T249	G220-L223 VanDerWaalsContact O-CB 3.29Å; G220-L223 WeakPolarHBondContact O-CB 3.18Å; G220-L223 PolarHBondContact O-N 3.48Å; S221-L223 PolarHBondContact O-N 3.26Å; L223-L226 WeakPolarHBondContact O-CD1 3.29Å; L223-I242 HydrophobicContact CD2-CD1 3.91Å; L223-I242 HydrophobicContact CD2-CG1 4.24Å; L223-I242 HydrophobicContact CD2-CG2 4.25Å; L223-T249 HydrophobicContact CD1-CG2 4.28Å
224	Q	67.3	Low	70.3	Confident	152 Å²	152	73 Å²	73	71%	0.71	39%	0.386	S	S	*	.	H	α-helix	trans	-73	-32.2	-179.7	-56.3	177	-1.9	0	0	111.3	S221 W222 L226	S221-Q224 WeakPolarHBondContact O-CB 3.35Å; S221-Q224 PolarHBondContact O-N 3.19Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; W222-Q224 VanDerWaalsContact C-N 3.32Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 2.69Å
225	G	57.5	Low	69.1	Low	55 Å²	55	70.2 Å²	70.2	57%	0.567	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.7	-178.6	0	0	0	0	0	116	S221 W222 P227	S221-G225 PolarHBondContact O-N 2.94Å; W222-G225 PolarHBondContact O-N 3.3Å; G225-P227 WeakPolarHBondContact O-CD 3.11Å
226	L	58.4	Low	67.8	Low	19 Å²	19	73.5 Å²	73.5	10%	0.099	39%	0.388	C	S	.	.	S	Bend	trans	-66.7	116.9	176.1	-89.9	100.7	0	0	0	111	W222 L223 Q224 K228 L238 Q239 I242	W222-L226 HydrophobicContact CE3-CD1 4.32Å; W222-L226 WeakPolarHBondContact O-CD1 3.34Å; L223-L226 WeakPolarHBondContact O-CD1 3.29Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 2.69Å; L226-K228 PolarHBondContact O-N 3.25Å; L226-L238 HydrophobicContact CD2-CD2 4.27Å; L226-Q239 HydrophobicContact CD2-CG 3.63Å; L226-I242 HydrophobicContact CD1-CD1 4.15Å; L226-I242 HydrophobicContact CD2-CD1 4.24Å
227	P	51.7	Low	67	Low	60 Å²	60	74 Å²	74	39%	0.39	39%	0.385	S	S	.	.			trans	-63.6	123.8	179.8	-21.4	33.2	0	0	0	111.3	G225 N229 N230 Q239	G225-P227 WeakPolarHBondContact O-CD 3.11Å; P227-N229 PolarHBondContact O-N 3.39Å; P227-N230 HydrophobicContact CB-CB 4.26Å; P227-N230 WeakPolarHBondContact CD-ND2 3.4Å; P227-N230 PolarHBondContact O-OD1 2.79Å; P227-Q239 PolarHBondContact O-NE2 2.8Å
228	K	56.7	Low	66	Low	207 Å²	207	75.1 Å²	75.1	90%	0.9	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-10.3	176.7	-63	177.8	-176.6	174.1	0	113.5	L226	L226-K228 PolarHBondContact O-N 3.25Å
229	N	51.7	Low	65	Low	141 Å²	141	75.1 Å²	75.1	75%	0.754	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	3.9	-169.9	-163.4	16	0	0	0	114.5	P227 N231	P227-N229 PolarHBondContact O-N 3.39Å; N229-N231 PolarHBondContact O-N 2.88Å
230	N	46.3	Very low	64.2	Low	39 Å²	39	80.6 Å²	80.6	21%	0.209	41%	0.409	C	S	.	.			trans	-78.6	119.6	178.4	57.5	10	0	0	0	111.6	P227 N232 T235	P227-N230 HydrophobicContact CB-CB 4.26Å; P227-N230 WeakPolarHBondContact CD-ND2 3.4Å; P227-N230 PolarHBondContact O-OD1 2.79Å; N230-N232 PolarHBondContact O-N 3.45Å; N230-T235 WeakPolarHBondContact OD1-CB 3.06Å; N230-T235 PolarHBondContact OD1-OG1 2.96Å
231	N	52.9	Low	63.4	Low	128 Å²	128	84.6 Å²	84.6	68%	0.684	43%	0.427	S	S	*	.			trans	-76.9	3.9	-175	-84.6	-43.5	0	0	0	114.8	N229 K236	N229-N231 PolarHBondContact O-N 2.88Å; N231-K236 PolarHBondContact OD1-NZ 2.79Å
232	N	64.3	Low	62.7	Low	68 Å²	68	84.2 Å²	84.2	36%	0.364	42%	0.422	S	S	.	.			trans	-70.9	144.7	178.7	90.5	49.4	0	0	0	110.9	N230 Q234 T235 K236	N230-N232 PolarHBondContact O-N 3.45Å; N232-Q234 PolarHBondContact O-N 3.07Å; N232-Q234 PolarHBondContact OD1-N 2.93Å; N232-Q234 VanDerWaalsContact OD1-N 3.16Å; N232-T235 PolarHBondContact O-OG1 2.96Å; N232-T235 PolarHBondContact OD1-N 3.32Å; N232-T235 PolarHBondContact OD1-OG1 3.43Å; N232-T235 VanDerWaalsContact OD1-OG1 3.05Å; N232-K236 PolarHBondContact O-N 3.07Å
233	K	64.3	Low	61.8	Low	162 Å²	162	88.4 Å²	88.4	70%	0.704	44%	0.441	S	S	*	.	H	α-helix	trans	-69.6	-35.3	-173	-170.7	175.7	179.1	-179.1	0	111.8	K236 E237	K233-K236 PolarHBondContact O-N 3.14Å; K233-E237 HydrophobicContact CG-CG 4.31Å; K233-E237 WeakPolarHBondContact O-CG 3.24Å; K233-E237 PolarHBondContact O-N 3.18Å
234	Q	60.4	Low	61.1	Low	132 Å²	132	95.3 Å²	95.3	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-64.7	-43.7	-177.4	-72.2	150.4	-70.9	0	0	112.1	N232 E237 L238	N232-Q234 PolarHBondContact O-N 3.07Å; N232-Q234 PolarHBondContact OD1-N 2.93Å; N232-Q234 VanDerWaalsContact OD1-N 3.16Å; Q234-E237 PolarHBondContact O-N 2.79Å; Q234-L238 WeakPolarHBondContact O-CB 3.41Å; Q234-L238 PolarHBondContact O-N 2.8Å
235	T	61.5	Low	60.4	Low	21 Å²	21	90.3 Å²	90.3	13%	0.129	45%	0.45	C	S	.	.	H	α-helix	trans	-72.8	-32.5	177.8	56.2	0	0	0	0	112.1	N230 N232 L238 Q239	N230-T235 WeakPolarHBondContact OD1-CB 3.06Å; N230-T235 PolarHBondContact OD1-OG1 2.96Å; N232-T235 PolarHBondContact O-OG1 2.96Å; N232-T235 PolarHBondContact OD1-N 3.32Å; N232-T235 PolarHBondContact OD1-OG1 3.43Å; N232-T235 VanDerWaalsContact OD1-OG1 3.05Å; T235-L238 PolarHBondContact O-N 3.47Å; T235-Q239 VanDerWaalsContact O-CB 3.27Å; T235-Q239 WeakPolarHBondContact O-CB 3.29Å; T235-Q239 WeakPolarHBondContact O-CG 3.32Å; T235-Q239 PolarHBondContact O-N 3.25Å
236	K	63.8	Low	59.8	Low	86 Å²	86	94.6 Å²	94.6	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-40.1	170.3	-71.7	-176	177.8	179.1	0	112.3	N231 N232 K233 K240	N231-K236 PolarHBondContact OD1-NZ 2.79Å; N232-K236 PolarHBondContact O-N 3.07Å; K233-K236 PolarHBondContact O-N 3.14Å; K236-K240 WeakPolarHBondContact O-CB 3.36Å; K236-K240 VanDerWaalsContact O-CG 3.25Å; K236-K240 WeakPolarHBondContact O-CG 3.3Å; K236-K240 PolarHBondContact O-N 3.05Å
237	E	69.5	Low	59	Low	74 Å²	74	97 Å²	97	35%	0.346	48%	0.484	S	S	.	.	H	α-helix	trans	-70	-36.2	171.8	-64.8	-49.4	130.7	0	0	112.3	K233 Q234 K240 L241	K233-E237 HydrophobicContact CG-CG 4.31Å; K233-E237 WeakPolarHBondContact O-CG 3.24Å; K233-E237 PolarHBondContact O-N 3.18Å; Q234-E237 PolarHBondContact O-N 2.79Å; E237-K240 WeakPolarHBondContact O-CB 3.22Å; E237-K240 PolarHBondContact O-N 3.48Å; E237-K240 IonicContact OE1-NZ 3.18Å; E237-K240 PolarHBondContact OE1-NZ 3.01Å; E237-K240 WeakPolarHBondContact OE2-CD 3.45Å; E237-K240 IonicContact OE2-NZ 2.64Å; E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 VanDerWaalsContact O-CG 3.29Å; E237-L241 WeakPolarHBondContact O-CG 3.48Å; E237-L241 PolarHBondContact O-N 2.86Å
238	L	66.3	Low	58.8	Low	50 Å²	50	99.6 Å²	99.6	26%	0.262	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-41.5	175.1	-154.8	79.6	0	0	0	111.1	L226 Q234 T235 L241 I242 W833	L226-L238 HydrophobicContact CD2-CD2 4.27Å; Q234-L238 WeakPolarHBondContact O-CB 3.41Å; Q234-L238 PolarHBondContact O-N 2.8Å; T235-L238 PolarHBondContact O-N 3.47Å; L238-L241 PolarHBondContact O-N 2.77Å; L238-I242 HydrophobicContact CD2-CD1 4.21Å; L238-I242 HydrophobicContact CG-CD1 4.04Å; L238-I242 WeakPolarHBondContact O-CB 3.43Å; L238-I242 WeakPolarHBondContact O-CD1 3.17Å; L238-I242 WeakPolarHBondContact O-CG1 3.21Å; L238-I242 PolarHBondContact O-N 2.99Å; L238-W833 HydrophobicContact CD2-CZ2 4.31Å
239	Q	64.3	Low	58.2	Low	40 Å²	40	92 Å²	92	19%	0.187	47%	0.465	C	S	.	.	H	α-helix	trans	-63.9	-38.4	172.3	-74	171.1	12.8	0	0	111.8	L226 P227 T235 K243	L226-Q239 HydrophobicContact CD2-CG 3.63Å; P227-Q239 PolarHBondContact O-NE2 2.8Å; T235-Q239 VanDerWaalsContact O-CB 3.27Å; T235-Q239 WeakPolarHBondContact O-CB 3.29Å; T235-Q239 WeakPolarHBondContact O-CG 3.32Å; T235-Q239 PolarHBondContact O-N 3.25Å; Q239-K243 VanDerWaalsContact O-CB 3.22Å; Q239-K243 WeakPolarHBondContact O-CB 3.49Å; Q239-K243 WeakPolarHBondContact O-CG 3.08Å; Q239-K243 PolarHBondContact O-N 2.72Å
240	K	69.2	Low	58	Low	119 Å²	119	89.8 Å²	89.8	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-42.2	171.4	-76.9	169.9	-178.1	177.4	0	111.9	K236 E237 K244	K236-K240 WeakPolarHBondContact O-CB 3.36Å; K236-K240 VanDerWaalsContact O-CG 3.25Å; K236-K240 WeakPolarHBondContact O-CG 3.3Å; K236-K240 PolarHBondContact O-N 3.05Å; E237-K240 WeakPolarHBondContact O-CB 3.22Å; E237-K240 PolarHBondContact O-N 3.48Å; E237-K240 IonicContact OE1-NZ 3.18Å; E237-K240 PolarHBondContact OE1-NZ 3.01Å; E237-K240 WeakPolarHBondContact OE2-CD 3.45Å; E237-K240 IonicContact OE2-NZ 2.64Å; K240-K244 WeakPolarHBondContact O-CB 3.18Å; K240-K244 PolarHBondContact O-N 3.47Å
241	L	67.2	Low	57.7	Low	99 Å²	99	92.6 Å²	92.6	52%	0.518	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-55.9	176.7	-76.1	167.5	0	0	0	109.8	E237 L238 K243 K244 T245	E237-L241 WeakPolarHBondContact O-CB 3.44Å; E237-L241 VanDerWaalsContact O-CG 3.29Å; E237-L241 WeakPolarHBondContact O-CG 3.48Å; E237-L241 PolarHBondContact O-N 2.86Å; L238-L241 PolarHBondContact O-N 2.77Å; L241-K243 VanDerWaalsContact C-N 3.29Å; L241-K243 PolarHBondContact O-N 2.95Å; L241-K244 CarbonylContact O-C 3.16Å; L241-K244 WeakPolarHBondContact O-CA 3.26Å; L241-K244 PolarHBondContact O-N 3.09Å; L241-T245 WeakPolarHBondContact O-CB 3.27Å; L241-T245 WeakPolarHBondContact O-CG2 3.47Å; L241-T245 PolarHBondContact O-N 3.35Å; L241-T245 PolarHBondContact O-OG1 2.94Å
242	I	65.6	Low	57.2	Low	27 Å²	27	87.9 Å²	87.9	14%	0.138	44%	0.443	C	S	.	.	H	α-helix	trans	-52.4	-44.5	176	-68.8	163.6	0	0	0	111.6	W222 L223 L226 L238 T245 T249	W222-I242 HydrophobicContact CZ3-CD1 4.38Å; L223-I242 HydrophobicContact CD2-CD1 3.91Å; L223-I242 HydrophobicContact CD2-CG1 4.24Å; L223-I242 HydrophobicContact CD2-CG2 4.25Å; L226-I242 HydrophobicContact CD1-CD1 4.15Å; L226-I242 HydrophobicContact CD2-CD1 4.24Å; L238-I242 HydrophobicContact CD2-CD1 4.21Å; L238-I242 HydrophobicContact CG-CD1 4.04Å; L238-I242 WeakPolarHBondContact O-CB 3.43Å; L238-I242 WeakPolarHBondContact O-CD1 3.17Å; L238-I242 WeakPolarHBondContact O-CG1 3.21Å; L238-I242 PolarHBondContact O-N 2.99Å; I242-T245 WeakPolarHBondContact CA-OG1 3.49Å; I242-T245 CarbonylContact O-C 3.51Å; I242-T245 VanDerWaalsContact O-O 3.13Å; I242-T245 PolarHBondContact O-OG1 3.34Å; I242-T249 VanDerWaalsContact CG2-OG1 3.3Å; I242-T249 WeakPolarHBondContact CG2-OG1 3.19Å
243	K	61.5	Low	56.5	Low	146 Å²	146	87.9 Å²	87.9	64%	0.635	45%	0.449	S	S	*	.	H	α-helix	trans	-66.8	-38.8	175.6	-76.1	174	178.8	-174.9	0	113	Q239 L241 H246	Q239-K243 VanDerWaalsContact O-CB 3.22Å; Q239-K243 WeakPolarHBondContact O-CB 3.49Å; Q239-K243 WeakPolarHBondContact O-CG 3.08Å; Q239-K243 PolarHBondContact O-N 2.72Å; L241-K243 VanDerWaalsContact C-N 3.29Å; L241-K243 PolarHBondContact O-N 2.95Å; K243-H246 PolarHBondContact O-CD2 3.3Å; K243-H246 PolarHBondContact O-CE1 3.39Å; K243-H246 PolarHBondContact O-NE2 3.15Å; K243-H246 VanDerWaalsContact O-NE2 3.11Å
244	K	61.8	Low	56	Low	177 Å²	177	81.2 Å²	81.2	77%	0.77	42%	0.419	S	S	*	.	H	α-helix	trans	-74.8	-30.2	178	-172.8	176	-178.5	-179.2	0	112.3	K240 L241 H246	K240-K244 WeakPolarHBondContact O-CB 3.18Å; K240-K244 PolarHBondContact O-N 3.47Å; L241-K244 CarbonylContact O-C 3.16Å; L241-K244 WeakPolarHBondContact O-CA 3.26Å; L241-K244 PolarHBondContact O-N 3.09Å; K244-H246 VanDerWaalsContact C-N 3.34Å; K244-H246 PolarHBondContact O-N 3.04Å
245	T	53	Low	55.9	Low	46 Å²	46	76.4 Å²	76.4	28%	0.282	40%	0.4	S	S	.	.			trans	-92	69.2	173.4	60.5	0	0	0	0	109.2	L241 I242 G247 I248	L241-T245 WeakPolarHBondContact O-CB 3.27Å; L241-T245 WeakPolarHBondContact O-CG2 3.47Å; L241-T245 PolarHBondContact O-N 3.35Å; L241-T245 PolarHBondContact O-OG1 2.94Å; I242-T245 WeakPolarHBondContact CA-OG1 3.49Å; I242-T245 CarbonylContact O-C 3.51Å; I242-T245 VanDerWaalsContact O-O 3.13Å; I242-T245 PolarHBondContact O-OG1 3.34Å; T245-G247 PolarHBondContact O-N 3.24Å; T245-I248 HydrophobicContact CG2-CD1 3.88Å; T245-I248 PolarHBondContact O-N 2.92Å
246	H	45	Very low	55.6	Low	145 Å²	145	80.5 Å²	80.5	67%	0.671	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-16.4	179.2	-71.7	-90.9	0	0	0	114.1	K243 K244	K243-H246 PolarHBondContact O-CD2 3.3Å; K243-H246 PolarHBondContact O-CE1 3.39Å; K243-H246 PolarHBondContact O-NE2 3.15Å; K243-H246 VanDerWaalsContact O-NE2 3.11Å; K244-H246 VanDerWaalsContact C-N 3.34Å; K244-H246 PolarHBondContact O-N 3.04Å
247	G	42.2	Very low	55.3	Low	70 Å²	70	82.9 Å²	82.9	72%	0.722	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	10.8	173.7	0	0	0	0	0	117.6	T245	T245-G247 PolarHBondContact O-N 3.24Å
248	I	47	Very low	55	Low	114 Å²	114	81.3 Å²	81.3	59%	0.585	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-26.1	176	-62.2	-178.5	0	0	0	112.8	T245	T245-I248 HydrophobicContact CG2-CD1 3.88Å; T245-I248 PolarHBondContact O-N 2.92Å
249	T	44.7	Very low	54.8	Low	48 Å²	48	81.5 Å²	81.5	29%	0.294	42%	0.42	S	S	.	.	S	Bend	trans	-62.4	148.9	156.2	-44.2	0	0	0	0	107.6	L223 I242 T251	L223-T249 HydrophobicContact CD1-CG2 4.28Å; I242-T249 VanDerWaalsContact CG2-OG1 3.3Å; I242-T249 WeakPolarHBondContact CG2-OG1 3.19Å; T249-T251 PolarHBondContact O-N 3.24Å; T249-T251 VanDerWaalsContact O-N 3.08Å
250	R	47.4	Very low	54.6	Low	95 Å²	95	84.3 Å²	84.3	36%	0.358	44%	0.435	S	S	.	.	S	Bend	trans	-42.3	124.9	159.1	-83.9	-173.8	175	-169.3	0.2	106.7	E122 D123 S219 A252	E122-R250 VanDerWaalsContact CD-NH2 3.33Å; E122-R250 IonicContact OE1-CZ 3.05Å; E122-R250 IonicContact OE1-NE 2.71Å; E122-R250 IonicContact OE1-NH2 3.52Å; E122-R250 PolarHBondContact OE1-NH2 3.29Å; D123-R250 IonicContact OD1-CZ 2.78Å; D123-R250 IonicContact OD1-NH1 3.18Å; D123-R250 PolarHBondContact OD1-NH1 2.96Å; D123-R250 IonicContact OD1-NH2 3.15Å; S219-R250 PolarHBondContact O-NE 2.62Å; S219-R250 PolarHBondContact O-NH2 3.4Å; R250-A252 PolarHBondContact O-N 3.01Å
251	T	40.1	Very low	54.3	Low	98 Å²	98	81.7 Å²	81.7	60%	0.601	43%	0.426	S	S	*	.	S	Bend	trans	-34.9	113	-168.8	38.4	0	0	0	0	110.7	T249 S253	T249-T251 PolarHBondContact O-N 3.24Å; T249-T251 VanDerWaalsContact O-N 3.08Å; T251-S253 VanDerWaalsContact O-CA 3.28Å; T251-S253 WeakPolarHBondContact O-CA 3.25Å; T251-S253 PolarHBondContact O-N 3.41Å
252	A	43	Very low	54.1	Low	28 Å²	28	80.7 Å²	80.7	23%	0.231	42%	0.422	C	S	.	.	S	Bend	trans	-42.3	114.2	-159.6	0	0	0	0	0	110.9	R250 Y254	R250-A252 PolarHBondContact O-N 3.01Å; A252-Y254 PolarHBondContact O-N 2.85Å
253	S	49.5	Very low	53.7	Low	69 Å²	69	85.1 Å²	85.1	48%	0.483	44%	0.442	S	S	.	.			trans	-36.3	125.7	-143.2	53	0	0	0	0	113.6	T251 S255 Q256	T251-S253 VanDerWaalsContact O-CA 3.28Å; T251-S253 WeakPolarHBondContact O-CA 3.25Å; T251-S253 PolarHBondContact O-N 3.41Å; S253-S255 VanDerWaalsContact C-OG 3.28Å; S253-S255 WeakPolarHBondContact CB-OG 3.44Å; S253-S255 CarbonylContact O-C 3.47Å; S253-S255 WeakPolarHBondContact O-CA 3.4Å; S253-S255 PolarHBondContact O-N 2.92Å; S253-S255 PolarHBondContact O-OG 3.27Å; S253-S255 PolarHBondContact OG-OG 2.87Å; S253-Q256 PolarHBondContact O-N 3.48Å
254	Y	54.1	Low	53.4	Low	21 Å²	21	82.1 Å²	82.1	8%	0.082	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-25.8	-160.6	-178.2	-97.8	0	0	0	114.7	L112 A115 R116 E119 A252 Q256 Y257 E258	L112-Y254 HydrophobicContact CB-CE1 4.14Å; L112-Y254 VanDerWaalsContact CD1-OH 3.31Å; L112-Y254 WeakPolarHBondContact CD1-OH 3.42Å; L112-Y254 HydrophobicContact CD2-CE2 4.07Å; L112-Y254 WeakPolarHBondContact CD2-OH 2.95Å; L112-Y254 WeakPolarHBondContact CG-OH 3.32Å; A115-Y254 HydrophobicContact CB-CD2 4.36Å; R116-Y254 HydrophobicContact CG-CD1 4.43Å; E119-Y254 WeakPolarHBondContact OE1-CB 3.33Å; E119-Y254 WeakPolarHBondContact OE2-CB 3.49Å; A252-Y254 PolarHBondContact O-N 2.85Å; Y254-Q256 PolarHBondContact O-N 2.7Å; Y254-Y257 AromaticContact CD2-CD2 3.87Å; Y254-Y257 HydrophobicContact CD2-CD2 3.87Å; Y254-Y257 HydrophobicContact CD2-CG 4.42Å; Y254-Y257 AromaticContact CE2-CD2 3.84Å; Y254-Y257 HydrophobicContact CE2-CD2 3.84Å; Y254-Y257 AromaticContact CE2-CG 3.94Å; Y254-Y257 HydrophobicContact CE2-CG 3.94Å; Y254-Y257 PolarHBondContact O-N 2.9Å; Y254-Y257 WeakPolarHBondContact OH-CB 3.32Å; Y254-E258 HydrophobicContact CD1-CG 3.88Å; Y254-E258 HydrophobicContact CE1-CG 3.41Å; Y254-E258 VanDerWaalsContact CE1-CG 3.41Å; Y254-E258 PolarHBondContact O-N 2.99Å
255	S	57	Low	53.1	Low	31 Å²	31	77 Å²	77	22%	0.217	42%	0.421	C	S	.	.	H	α-helix	trans	-29.3	-41.3	157.5	47.6	0	0	0	0	116.4	S253 Y257 E258 D259	S253-S255 VanDerWaalsContact C-OG 3.28Å; S253-S255 WeakPolarHBondContact CB-OG 3.44Å; S253-S255 CarbonylContact O-C 3.47Å; S253-S255 WeakPolarHBondContact O-CA 3.4Å; S253-S255 PolarHBondContact O-N 2.92Å; S253-S255 PolarHBondContact O-OG 3.27Å; S253-S255 PolarHBondContact OG-OG 2.87Å; S255-Y257 PolarHBondContact O-N 2.74Å; S255-E258 WeakPolarHBondContact O-CB 3.46Å; S255-E258 PolarHBondContact O-N 2.91Å; S255-E258 VanDerWaalsContact O-N 3.12Å; S255-D259 PolarHBondContact O-N 2.95Å
256	Q	56.2	Low	52.9	Low	108 Å²	108	80.7 Å²	80.7	51%	0.505	44%	0.439	S	S	.	.	H	α-helix	trans	-65.4	-26.9	-178.5	-65.4	-178.7	16.1	0	0	113.3	S253 Y254 L260	S253-Q256 PolarHBondContact O-N 3.48Å; Y254-Q256 PolarHBondContact O-N 2.7Å; Q256-L260 WeakPolarHBondContact O-CG 3.49Å
257	Y	57.3	Low	52.8	Low	136 Å²	136	78 Å²	78	53%	0.533	43%	0.427	S	S	.	.	H	α-helix	trans	-85.6	-32.7	173	-64.7	-79.8	0	0	0	111.6	Y254 S255 L260 I261	Y254-Y257 AromaticContact CD2-CD2 3.87Å; Y254-Y257 HydrophobicContact CD2-CD2 3.87Å; Y254-Y257 HydrophobicContact CD2-CG 4.42Å; Y254-Y257 AromaticContact CE2-CD2 3.84Å; Y254-Y257 HydrophobicContact CE2-CD2 3.84Å; Y254-Y257 AromaticContact CE2-CG 3.94Å; Y254-Y257 HydrophobicContact CE2-CG 3.94Å; Y254-Y257 PolarHBondContact O-N 2.9Å; Y254-Y257 WeakPolarHBondContact OH-CB 3.32Å; S255-Y257 PolarHBondContact O-N 2.74Å; Y257-L260 PolarHBondContact O-N 2.64Å; Y257-I261 WeakPolarHBondContact O-CD1 3.48Å; Y257-I261 VanDerWaalsContact O-CG1 3.29Å; Y257-I261 WeakPolarHBondContact O-CG1 3.43Å; Y257-I261 PolarHBondContact O-N 3.46Å; Y257-I261 VanDerWaalsContact O-N 3.07Å
258	E	62.2	Low	53.1	Low	40 Å²	40	80.1 Å²	80.1	19%	0.187	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-47.1	171.1	-58	-167.7	148.1	0	0	111.1	K55 R116 Y254 S255 L260 I261 D262	K55-E258 WeakPolarHBondContact CE-OE2 3.37Å; K55-E258 IonicContact NZ-OE2 2.72Å; R116-E258 IonicContact CZ-OE1 3.41Å; R116-E258 IonicContact NE-OE1 3.96Å; R116-E258 PolarHBondContact NE-OE1 3.11Å; R116-E258 IonicContact NH2-OE1 3.01Å; R116-E258 PolarHBondContact NH2-OE1 2.86Å; Y254-E258 HydrophobicContact CD1-CG 3.88Å; Y254-E258 HydrophobicContact CE1-CG 3.41Å; Y254-E258 VanDerWaalsContact CE1-CG 3.41Å; Y254-E258 PolarHBondContact O-N 2.99Å; S255-E258 WeakPolarHBondContact O-CB 3.46Å; S255-E258 PolarHBondContact O-N 2.91Å; S255-E258 VanDerWaalsContact O-N 3.12Å; E258-L260 PolarHBondContact O-N 2.89Å; E258-L260 VanDerWaalsContact O-N 3.13Å; E258-I261 PolarHBondContact O-N 3.21Å; E258-D262 WeakPolarHBondContact O-CB 3.46Å; E258-D262 PolarHBondContact O-N 2.85Å
259	D	61.9	Low	52.9	Low	55 Å²	55	78.5 Å²	78.5	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-29.8	179.3	-62.6	-19	0	0	0	112	K55 S255 Q263	K55-D259 VanDerWaalsContact CD-OD1 3.32Å; K55-D259 WeakPolarHBondContact CD-OD1 3.3Å; K55-D259 WeakPolarHBondContact CE-OD1 3.49Å; K55-D259 IonicContact NZ-OD1 2.64Å; K55-D259 PolarHBondContact NZ-OD1 2.98Å; S255-D259 PolarHBondContact O-N 2.95Å; D259-Q263 VanDerWaalsContact O-CG 3.31Å; D259-Q263 WeakPolarHBondContact O-CG 3.5Å; D259-Q263 PolarHBondContact O-N 3Å; D259-Q263 PolarHBondContact O-NE2 2.91Å
260	L	61.1	Low	52.8	Low	98 Å²	98	80.4 Å²	80.4	51%	0.513	43%	0.429	S	S	.	.	H	α-helix	trans	-76.6	-37.5	173.4	-72.6	169.2	0	0	0	112.8	Q256 Y257 E258 Q263 V264	Q256-L260 WeakPolarHBondContact O-CG 3.49Å; Y257-L260 PolarHBondContact O-N 2.64Å; E258-L260 PolarHBondContact O-N 2.89Å; E258-L260 VanDerWaalsContact O-N 3.13Å; L260-Q263 PolarHBondContact O-N 2.89Å; L260-V264 WeakPolarHBondContact O-CG2 3.26Å; L260-V264 PolarHBondContact O-N 3.47Å
261	I	63	Low	52.8	Low	65 Å²	65	81.4 Å²	81.4	33%	0.333	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-45.7	176	-67.8	160.4	0	0	0	110	L112 Y257 E258 Q263 V264 S265	L112-I261 HydrophobicContact CD1-CD1 3.33Å; Y257-I261 WeakPolarHBondContact O-CD1 3.48Å; Y257-I261 VanDerWaalsContact O-CG1 3.29Å; Y257-I261 WeakPolarHBondContact O-CG1 3.43Å; Y257-I261 PolarHBondContact O-N 3.46Å; Y257-I261 VanDerWaalsContact O-N 3.07Å; E258-I261 PolarHBondContact O-N 3.21Å; I261-Q263 PolarHBondContact O-N 2.94Å; I261-V264 PolarHBondContact O-N 3.32Å; I261-V264 VanDerWaalsContact O-N 3.11Å; I261-S265 WeakPolarHBondContact O-CB 3.26Å; I261-S265 PolarHBondContact O-N 2.75Å; I261-S265 PolarHBondContact O-OG 2.95Å
262	D	63.3	Low	52.8	Low	78 Å²	78	83.8 Å²	83.8	42%	0.417	45%	0.454	S	S	.	.	H	α-helix	trans	-55.2	-41.5	175	-61	-19.6	0	0	0	110.3	K55 E258 L266	K55-D262 IonicContact NZ-OD2 3Å; K55-D262 PolarHBondContact NZ-OD2 3.43Å; E258-D262 WeakPolarHBondContact O-CB 3.46Å; E258-D262 PolarHBondContact O-N 2.85Å; D262-L266 WeakPolarHBondContact O-CB 3.1Å; D262-L266 WeakPolarHBondContact O-CD1 3.43Å; D262-L266 WeakPolarHBondContact O-CG 3.41Å; D262-L266 PolarHBondContact O-N 3.01Å
263	Q	56.3	Low	52.5	Low	120 Å²	120	88 Å²	88	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-66	-44	174.3	-81.8	168.8	88.6	0	0	113.7	D259 L260 I261 E267	D259-Q263 VanDerWaalsContact O-CG 3.31Å; D259-Q263 WeakPolarHBondContact O-CG 3.5Å; D259-Q263 PolarHBondContact O-N 3Å; D259-Q263 PolarHBondContact O-NE2 2.91Å; L260-Q263 PolarHBondContact O-N 2.89Å; I261-Q263 PolarHBondContact O-N 2.94Å; Q263-E267 PolarHBondContact O-N 3.19Å
264	V	56.4	Low	51.9	Low	82 Å²	82	87.5 Å²	87.5	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-69.9	-42	-179.1	172	0	0	0	0	111.5	L260 I261 L266 E267 E268	L260-V264 WeakPolarHBondContact O-CG2 3.26Å; L260-V264 PolarHBondContact O-N 3.47Å; I261-V264 PolarHBondContact O-N 3.32Å; I261-V264 VanDerWaalsContact O-N 3.11Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.93Å; V264-E267 PolarHBondContact O-N 3.36Å; V264-E267 VanDerWaalsContact O-N 3.16Å; V264-E268 PolarHBondContact O-N 3.5Å
265	S	54.8	Low	51.3	Low	69 Å²	69	94.4 Å²	94.4	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-29.3	177.4	-66.9	0	0	0	0	113.3	I261	I261-S265 WeakPolarHBondContact O-CB 3.26Å; I261-S265 PolarHBondContact O-N 2.75Å; I261-S265 PolarHBondContact O-OG 2.95Å
266	L	47.8	Very low	50.4	Low	124 Å²	124	100.9 Å²	100.9	65%	0.649	55%	0.553	S	S	*	*	H	α-helix	trans	-76.2	-17.6	173	-74.9	171.6	0	0	0	113.8	D262 V264 S269 T270	D262-L266 WeakPolarHBondContact O-CB 3.1Å; D262-L266 WeakPolarHBondContact O-CD1 3.43Å; D262-L266 WeakPolarHBondContact O-CG 3.41Å; D262-L266 PolarHBondContact O-N 3.01Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.93Å; L266-S269 PolarHBondContact O-OG 3.14Å; L266-T270 WeakPolarHBondContact O-CG2 3.05Å
267	E	43.7	Very low	49.6	Very low	88 Å²	88	103.8 Å²	103.8	41%	0.411	57%	0.572	S	S	.	*	H	α-helix	trans	-83.1	-36.6	172.6	-73.4	-158.1	158.8	0	0	112.6	K94 Q263 V264 S269 T270	K94-E267 WeakPolarHBondContact CE-OE2 3.31Å; K94-E267 IonicContact NZ-OE1 3.74Å; K94-E267 PolarHBondContact NZ-OE1 3.21Å; K94-E267 IonicContact NZ-OE2 2.63Å; K94-E267 PolarHBondContact NZ-OE2 3.44Å; Q263-E267 PolarHBondContact O-N 3.19Å; V264-E267 PolarHBondContact O-N 3.36Å; V264-E267 VanDerWaalsContact O-N 3.16Å; E267-S269 PolarHBondContact O-N 2.84Å; E267-T270 PolarHBondContact O-N 3.21Å; E267-T270 VanDerWaalsContact O-N 3.13Å; E267-T270 PolarHBondContact O-OG1 2.98Å
268	E	48	Very low	49.1	Very low	115 Å²	115	106.4 Å²	106.4	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-57.4	-31.2	179.5	-76.7	-176.4	162.4	0	0	112.5	K105 V264	K105-E268 IonicContact NZ-OE1 3.37Å; K105-E268 PolarHBondContact NZ-OE1 3.09Å; K105-E268 IonicContact NZ-OE2 2.91Å; V264-E268 PolarHBondContact O-N 3.5Å
269	S	42.3	Very low	48.3	Very low	81 Å²	81	110 Å²	110	57%	0.566	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-24.7	178.5	61.4	0	0	0	0	114.9	L266 E267 V271	L266-S269 PolarHBondContact O-OG 3.14Å; E267-S269 PolarHBondContact O-N 2.84Å; S269-V271 VanDerWaalsContact C-N 3.3Å; S269-V271 PolarHBondContact O-N 3.28Å
270	T	43.7	Very low	47.3	Very low	88 Å²	88	116.1 Å²	116.1	54%	0.54	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	-13.6	-170.3	59	0	0	0	0	115	L266 E267 S273	L266-T270 WeakPolarHBondContact O-CG2 3.05Å; E267-T270 PolarHBondContact O-N 3.21Å; E267-T270 VanDerWaalsContact O-N 3.13Å; E267-T270 PolarHBondContact O-OG1 2.98Å; T270-S273 PolarHBondContact O-OG 3.21Å; T270-S273 VanDerWaalsContact O-OG 3.08Å
271	V	47.2	Very low	46.5	Very low	115 Å²	115	113.5 Å²	113.5	70%	0.697	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-13.6	-170.5	-157.8	0	0	0	0	113.2	S269	S269-V271 VanDerWaalsContact C-N 3.3Å; S269-V271 PolarHBondContact O-N 3.28Å
272	N	40.2	Very low	45.7	Very low	149 Å²	149	115.8 Å²	115.8	80%	0.797	64%	0.638	S	S	*	*			trans	-101.5	42.8	175.9	-74.1	-28.6	0	0	0	112.6	G274	N272-G274 VanDerWaalsContact C-N 3.3Å; N272-G274 PolarHBondContact O-N 3.11Å
273	S	36.4	Very low	44.8	Very low	115 Å²	115	120 Å²	120	80%	0.804	66%	0.655	S	S	*	*			trans	-80.1	73.4	176.8	30	0	0	0	0	111.9	T270	T270-S273 PolarHBondContact O-OG 3.21Å; T270-S273 VanDerWaalsContact O-OG 3.08Å
274	G	36.5	Very low	44.5	Very low	60 Å²	60	121.1 Å²	121.1	62%	0.619	66%	0.661	S	S	*	*	S	Bend	trans	-157	118.2	173.1	0	0	0	0	0	112.3	N272	N272-G274 VanDerWaalsContact C-N 3.3Å; N272-G274 PolarHBondContact O-N 3.11Å
275	D	41.2	Very low	44.3	Very low	165 Å²	165	123.6 Å²	123.6	88%	0.882	67%	0.665	S	S	*	*	S	Bend	trans	59.9	73.8	170.9	-54.2	-24.2	0	0	0	117.8
276	Q	39.7	Very low	44.4	Very low	168 Å²	168	126.7 Å²	126.7	79%	0.785	67%	0.671	S	S	*	*			trans	-161.6	64.4	154.2	-118.1	164	26.2	0	0	116.2	E278	Q276-E278 PolarHBondContact O-N 3.4Å
277	D	39.5	Very low	44.6	Very low	169 Å²	169	126.2 Å²	126.2	90%	0.904	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	88.9	162.4	-69.2	-41.2	0	0	0	110.2
278	E	45.4	Very low	45.4	Very low	190 Å²	190	127.9 Å²	127.9	89%	0.888	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.4	-15.2	158.2	-113.6	164.1	-146.8	0	0	117.7	Q276	Q276-E278 PolarHBondContact O-N 3.4Å
279	H	45.1	Very low	46.3	Very low	117 Å²	117	129.4 Å²	129.4	54%	0.542	68%	0.681	S	S	.	*			trans	-93.1	-0.1	-166.1	-89.8	-75.6	0	0	0	118.7	G281 E282	H279-G281 PolarHBondContact O-N 2.93Å; H279-E282 IonicContact CE1-OE2 2.73Å; H279-E282 PolarHBondContact CE1-OE2 2.9Å; H279-E282 IonicContact ND1-OE2 3.87Å; H279-E282 PolarHBondContact ND1-OE2 3.29Å; H279-E282 PolarHBondContact O-N 3.21Å
280	E	42.7	Very low	47	Very low	182 Å²	182	133.5 Å²	133.5	85%	0.85	68%	0.684	S	S	*	*	H	α-helix	trans	-61.4	-12.4	-175.2	-63	-174.2	145	0	0	115
281	G	44.4	Very low	47.8	Very low	43 Å²	43	133.8 Å²	133.8	44%	0.443	68%	0.678	S	S	.	*	H	α-helix	trans	-91.7	10.2	-176.5	0	0	0	0	0	117.1	H279 K285	H279-G281 PolarHBondContact O-N 2.93Å; G281-K285 PolarHBondContact O-NZ 3.1Å
282	E	44.4	Very low	48.6	Very low	114 Å²	114	134 Å²	134	53%	0.533	67%	0.671	S	S	.	*	H	α-helix	trans	-112.2	-39.2	179.9	-64.8	-172.6	125.3	0	0	113.2	H279 E284 K285 E286	H279-E282 IonicContact CE1-OE2 2.73Å; H279-E282 PolarHBondContact CE1-OE2 2.9Å; H279-E282 IonicContact ND1-OE2 3.87Å; H279-E282 PolarHBondContact ND1-OE2 3.29Å; H279-E282 PolarHBondContact O-N 3.21Å; E282-E284 PolarHBondContact O-N 3.37Å; E282-K285 WeakPolarHBondContact O-CB 3.36Å; E282-K285 PolarHBondContact O-N 3.08Å; E282-K285 VanDerWaalsContact O-N 3.12Å; E282-E286 PolarHBondContact O-N 3.41Å
283	E	44.4	Very low	49.5	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	65%	0.653	S	S	*	*	H	α-helix	trans	-63.4	-38.7	176.9	-63.6	-168.4	151	0	0	112.6	K285 E286 E287	E283-K285 PolarHBondContact O-N 2.79Å; E283-E286 PolarHBondContact O-N 3.25Å; E283-E287 PolarHBondContact O-N 2.91Å
284	E	50.7	Low	49.9	Very low	145 Å²	145	128.6 Å²	128.6	68%	0.678	64%	0.636	S	S	*	*	H	α-helix	trans	-59.7	-33	174.9	-68.8	-163.5	141.9	0	0	112.4	E282 E288	E282-E284 PolarHBondContact O-N 3.37Å; E284-E288 PolarHBondContact O-N 2.76Å
285	K	52.1	Low	51	Low	134 Å²	134	132.3 Å²	132.3	58%	0.583	64%	0.637	S	S	*	*	H	α-helix	trans	-72.5	-42.7	177.7	-75.5	177.9	-172.8	130.6	0	112.3	G281 E282 E283 E287 E288 E289	G281-K285 PolarHBondContact O-NZ 3.1Å; E282-K285 WeakPolarHBondContact O-CB 3.36Å; E282-K285 PolarHBondContact O-N 3.08Å; E282-K285 VanDerWaalsContact O-N 3.12Å; E283-K285 PolarHBondContact O-N 2.79Å; K285-E287 VanDerWaalsContact C-N 3.29Å; K285-E287 PolarHBondContact O-N 3.12Å; K285-E288 PolarHBondContact O-N 3.27Å; K285-E289 PolarHBondContact O-N 3.25Å
286	E	56.7	Low	52.1	Low	133 Å²	133	130.6 Å²	130.6	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-63.2	-40.2	175.5	-67.8	-154.3	162.6	0	0	110.3	E282 E283 E288 E289 W290	E282-E286 PolarHBondContact O-N 3.41Å; E283-E286 PolarHBondContact O-N 3.25Å; E286-E288 PolarHBondContact O-N 3.45Å; E286-E289 PolarHBondContact O-N 3.46Å; E286-W290 WeakPolarHBondContact O-CB 3.31Å; E286-W290 PolarHBondContact O-N 3.33Å
287	E	53.3	Low	53	Low	114 Å²	114	126.7 Å²	126.7	53%	0.533	61%	0.606	S	S	.	*	H	α-helix	trans	-64.7	-37.9	175.6	-136.8	-146.8	148.3	0	0	112.3	E283 K285 K291	E283-E287 PolarHBondContact O-N 2.91Å; K285-E287 VanDerWaalsContact C-N 3.29Å; K285-E287 PolarHBondContact O-N 3.12Å; E287-K291 WeakPolarHBondContact O-CB 3.35Å; E287-K291 VanDerWaalsContact O-CD 3.28Å; E287-K291 WeakPolarHBondContact O-CD 3.36Å; E287-K291 WeakPolarHBondContact O-CG 3.47Å; E287-K291 PolarHBondContact O-N 3.02Å; E287-K291 WeakPolarHBondContact OE1-CE 3.31Å; E287-K291 IonicContact OE1-NZ 3.65Å; E287-K291 PolarHBondContact OE1-NZ 3.12Å; E287-K291 IonicContact OE2-NZ 3.02Å; E287-K291 PolarHBondContact OE2-NZ 2.78Å
288	E	60.7	Low	53.7	Low	123 Å²	123	122.6 Å²	122.6	58%	0.575	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-42.4	171.6	-78.9	-151.7	143.7	0	0	113.2	E284 K285 E286 K291 Q292	E284-E288 PolarHBondContact O-N 2.76Å; K285-E288 PolarHBondContact O-N 3.27Å; E286-E288 PolarHBondContact O-N 3.45Å; E288-K291 PolarHBondContact O-N 3.35Å; E288-Q292 WeakPolarHBondContact O-CB 3.3Å; E288-Q292 WeakPolarHBondContact O-CG 3.42Å; E288-Q292 PolarHBondContact O-N 3.48Å
289	E	66.4	Low	54.8	Low	147 Å²	147	116.4 Å²	116.4	69%	0.687	56%	0.56	S	S	*	*	H	α-helix	trans	-64.6	-42.4	176.4	-73.3	-149	144.5	0	0	111.5	K285 E286 K291 Q292 L293	K285-E289 PolarHBondContact O-N 3.25Å; E286-E289 PolarHBondContact O-N 3.46Å; E289-K291 PolarHBondContact O-N 2.89Å; E289-Q292 PolarHBondContact O-N 2.92Å; E289-L293 VanDerWaalsContact O-CB 3.32Å; E289-L293 WeakPolarHBondContact O-CB 3.42Å; E289-L293 PolarHBondContact O-N 3.22Å
290	W	56.5	Low	56	Low	167 Å²	167	116.4 Å²	116.4	63%	0.633	56%	0.56	S	S	*	*	H	α-helix	trans	-63	-40.6	174.4	-83.6	109.5	0	0	0	112.5	E286 L293 T294	E286-W290 WeakPolarHBondContact O-CB 3.31Å; E286-W290 PolarHBondContact O-N 3.33Å; W290-L293 HydrophobicContact CE3-CD2 4.41Å; W290-L293 HydrophobicContact CZ3-CD2 4.33Å; W290-T294 VanDerWaalsContact O-CB 3.28Å; W290-T294 WeakPolarHBondContact O-CB 3.43Å; W290-T294 PolarHBondContact O-N 3.12Å; W290-T294 PolarHBondContact O-OG1 3.41Å
291	K	61.4	Low	57	Low	94 Å²	94	113.4 Å²	113.4	41%	0.409	55%	0.549	S	S	.	.	H	α-helix	trans	-61.7	-46.7	173.4	-74.5	161.7	-170.4	163.8	0	111.3	E287 E288 E289 T294 Q295	E287-K291 WeakPolarHBondContact O-CB 3.35Å; E287-K291 VanDerWaalsContact O-CD 3.28Å; E287-K291 WeakPolarHBondContact O-CD 3.36Å; E287-K291 WeakPolarHBondContact O-CG 3.47Å; E287-K291 PolarHBondContact O-N 3.02Å; E287-K291 WeakPolarHBondContact OE1-CE 3.31Å; E287-K291 IonicContact OE1-NZ 3.65Å; E287-K291 PolarHBondContact OE1-NZ 3.12Å; E287-K291 IonicContact OE2-NZ 3.02Å; E287-K291 PolarHBondContact OE2-NZ 2.78Å; E288-K291 PolarHBondContact O-N 3.35Å; E289-K291 PolarHBondContact O-N 2.89Å; K291-T294 PolarHBondContact O-N 3.18Å; K291-Q295 WeakPolarHBondContact O-CB 3.42Å; K291-Q295 PolarHBondContact O-N 2.68Å
292	Q	64	Low	58.1	Low	121 Å²	121	116 Å²	116	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-43.3	178.2	-74.7	-176.2	64.8	0	0	112.7	E288 E289 Q295 K296	E288-Q292 WeakPolarHBondContact O-CB 3.3Å; E288-Q292 WeakPolarHBondContact O-CG 3.42Å; E288-Q292 PolarHBondContact O-N 3.48Å; E289-Q292 PolarHBondContact O-N 2.92Å; Q292-Q295 PolarHBondContact O-N 3.19Å; Q292-K296 VanDerWaalsContact O-CB 3.26Å; Q292-K296 WeakPolarHBondContact O-CB 3.44Å; Q292-K296 PolarHBondContact O-N 3.48Å
293	L	57.8	Low	59.4	Low	77 Å²	77	117 Å²	117	40%	0.403	55%	0.554	S	S	.	*	H	α-helix	trans	-62.7	-46.8	177.4	-173	63.1	0	0	0	110.9	E289 W290 Q295 K296 D297	E289-L293 VanDerWaalsContact O-CB 3.32Å; E289-L293 WeakPolarHBondContact O-CB 3.42Å; E289-L293 PolarHBondContact O-N 3.22Å; W290-L293 HydrophobicContact CE3-CD2 4.41Å; W290-L293 HydrophobicContact CZ3-CD2 4.33Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.08Å; L293-K296 WeakPolarHBondContact O-CB 3.48Å; L293-K296 PolarHBondContact O-N 2.87Å; L293-D297 PolarHBondContact O-N 2.95Å
294	T	46.2	Very low	60.7	Low	73 Å²	73	112.8 Å²	112.8	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-61.1	-39.8	176.9	-56.3	0	0	0	0	111.9	W290 K291 N298	W290-T294 VanDerWaalsContact O-CB 3.28Å; W290-T294 WeakPolarHBondContact O-CB 3.43Å; W290-T294 PolarHBondContact O-N 3.12Å; W290-T294 PolarHBondContact O-OG1 3.41Å; K291-T294 PolarHBondContact O-N 3.18Å; T294-N298 WeakPolarHBondContact O-CB 3.28Å; T294-N298 PolarHBondContact O-N 3.01Å; T294-N298 VanDerWaalsContact O-N 3.16Å; T294-N298 PolarHBondContact O-ND2 3.13Å
295	Q	58.9	Low	61.3	Low	137 Å²	137	111.6 Å²	111.6	64%	0.64	54%	0.537	S	S	*	.	H	α-helix	trans	-69.2	-38.2	176.5	-168.3	178	15.4	0	0	112.4	K291 Q292 L293 T299	K291-Q295 WeakPolarHBondContact O-CB 3.42Å; K291-Q295 PolarHBondContact O-N 2.68Å; Q292-Q295 PolarHBondContact O-N 3.19Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.08Å; Q295-T299 WeakPolarHBondContact O-CB 3.17Å; Q295-T299 PolarHBondContact O-N 2.89Å; Q295-T299 PolarHBondContact O-OG1 2.8Å
296	K	64.5	Low	62.1	Low	130 Å²	130	110.7 Å²	110.7	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-64.2	-45	177.7	-177.3	-178.1	-179.8	-175.9	0	111.8	Q292 L293 T299 Q300	Q292-K296 VanDerWaalsContact O-CB 3.26Å; Q292-K296 WeakPolarHBondContact O-CB 3.44Å; Q292-K296 PolarHBondContact O-N 3.48Å; L293-K296 WeakPolarHBondContact O-CB 3.48Å; L293-K296 PolarHBondContact O-N 2.87Å; K296-T299 WeakPolarHBondContact O-CB 3.42Å; K296-T299 PolarHBondContact O-N 3.17Å; K296-Q300 PolarHBondContact O-N 2.62Å
297	D	58	Low	62.9	Low	85 Å²	85	112.3 Å²	112.3	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-73.4	-39.8	-178.8	-75.1	-7.3	0	0	0	112.5	L293 T299 Q300 L301	L293-D297 PolarHBondContact O-N 2.95Å; D297-T299 VanDerWaalsContact C-N 3.25Å; D297-T299 PolarHBondContact O-N 3.38Å; D297-Q300 PolarHBondContact O-N 2.99Å; D297-L301 WeakPolarHBondContact O-CB 3.32Å; D297-L301 PolarHBondContact O-N 3.24Å
298	N	54.2	Low	63.5	Low	84 Å²	84	109.5 Å²	109.5	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-58.1	-39.5	168.5	-81.5	-66.4	0	0	0	111.8	T294 L301 I302	T294-N298 WeakPolarHBondContact O-CB 3.28Å; T294-N298 PolarHBondContact O-N 3.01Å; T294-N298 VanDerWaalsContact O-N 3.16Å; T294-N298 PolarHBondContact O-ND2 3.13Å; N298-L301 PolarHBondContact O-N 3Å; N298-I302 WeakPolarHBondContact O-CB 3.36Å; N298-I302 VanDerWaalsContact O-CG1 3.26Å; N298-I302 WeakPolarHBondContact O-CG1 3.3Å; N298-I302 PolarHBondContact O-N 2.86Å
299	T	69.4	Low	63.9	Low	60 Å²	60	107.4 Å²	107.4	37%	0.368	52%	0.521	S	S	.	.	H	α-helix	trans	-66.5	-39.1	176.4	-60.8	0	0	0	0	112.4	Q295 K296 D297 K303	Q295-T299 WeakPolarHBondContact O-CB 3.17Å; Q295-T299 PolarHBondContact O-N 2.89Å; Q295-T299 PolarHBondContact O-OG1 2.8Å; K296-T299 WeakPolarHBondContact O-CB 3.42Å; K296-T299 PolarHBondContact O-N 3.17Å; D297-T299 VanDerWaalsContact C-N 3.25Å; D297-T299 PolarHBondContact O-N 3.38Å; T299-K303 HydrophobicContact CG2-CD 4.17Å; T299-K303 WeakPolarHBondContact O-CB 3.35Å; T299-K303 VanDerWaalsContact O-CG 3.31Å; T299-K303 WeakPolarHBondContact O-CG 3.37Å; T299-K303 PolarHBondContact O-N 2.85Å; T299-K303 VanDerWaalsContact O-N 3.12Å
300	Q	69	Low	64.2	Low	117 Å²	117	105.1 Å²	105.1	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-43.3	173.4	-72.2	-161.8	76.2	0	0	111.8	K296 D297 I302 K303 S304	K296-Q300 PolarHBondContact O-N 2.62Å; D297-Q300 PolarHBondContact O-N 2.99Å; Q300-I302 PolarHBondContact O-N 3.38Å; Q300-K303 PolarHBondContact O-N 3.05Å; Q300-S304 WeakPolarHBondContact O-CB 3.23Å; Q300-S304 PolarHBondContact O-N 3.3Å
301	L	64.6	Low	65.1	Low	119 Å²	119	103 Å²	103	62%	0.623	51%	0.509	S	S	*	.	H	α-helix	trans	-61.3	-44.6	178.6	-173.5	64.7	0	0	0	111.5	D297 N298 S304 H305	D297-L301 WeakPolarHBondContact O-CB 3.32Å; D297-L301 PolarHBondContact O-N 3.24Å; N298-L301 PolarHBondContact O-N 3Å; L301-S304 PolarHBondContact O-N 3.26Å; L301-H305 VanDerWaalsContact O-CB 3.31Å; L301-H305 WeakPolarHBondContact O-CB 3.47Å; L301-H305 PolarHBondContact O-N 3.08Å
302	I	66.5	Low	65.3	Low	97 Å²	97	102.5 Å²	102.5	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-46.5	175.4	-70.2	165.6	0	0	0	111	N298 Q300 S304 H305 Q306	N298-I302 WeakPolarHBondContact O-CB 3.36Å; N298-I302 VanDerWaalsContact O-CG1 3.26Å; N298-I302 WeakPolarHBondContact O-CG1 3.3Å; N298-I302 PolarHBondContact O-N 2.86Å; Q300-I302 PolarHBondContact O-N 3.38Å; I302-S304 PolarHBondContact O-N 3.25Å; I302-H305 PolarHBondContact O-N 3.36Å; I302-Q306 HydrophobicContact CG2-CG 4.44Å; I302-Q306 WeakPolarHBondContact O-CB 3.19Å; I302-Q306 VanDerWaalsContact O-CG 3.3Å; I302-Q306 WeakPolarHBondContact O-CG 3.41Å; I302-Q306 PolarHBondContact O-N 3.28Å
303	K	73.3	Confident	65.7	Low	135 Å²	135	99.8 Å²	99.8	59%	0.587	50%	0.499	S	S	*	.	H	α-helix	trans	-63.7	-40.4	178	-74	171.6	-179.2	174.6	0	112.3	T299 Q300 Q306 Y307	T299-K303 HydrophobicContact CG2-CD 4.17Å; T299-K303 WeakPolarHBondContact O-CB 3.35Å; T299-K303 VanDerWaalsContact O-CG 3.31Å; T299-K303 WeakPolarHBondContact O-CG 3.37Å; T299-K303 PolarHBondContact O-N 2.85Å; T299-K303 VanDerWaalsContact O-N 3.12Å; Q300-K303 PolarHBondContact O-N 3.05Å; K303-Q306 PolarHBondContact O-N 3.1Å; K303-Y307 WeakPolarHBondContact O-CB 3.44Å; K303-Y307 PolarHBondContact O-N 3.29Å
304	S	69.7	Low	66.6	Low	77 Å²	77	101.6 Å²	101.6	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-45.1	175.1	-175.6	0	0	0	0	111.8	Q300 L301 I302 Y307 S308	Q300-S304 WeakPolarHBondContact O-CB 3.23Å; Q300-S304 PolarHBondContact O-N 3.3Å; L301-S304 PolarHBondContact O-N 3.26Å; I302-S304 PolarHBondContact O-N 3.25Å; S304-Y307 PolarHBondContact O-N 3.26Å; S304-S308 WeakPolarHBondContact O-CB 3.23Å; S304-S308 PolarHBondContact O-N 2.9Å
305	H	63.4	Low	68	Low	120 Å²	120	104.2 Å²	104.2	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-42.2	177	-170.3	-121.3	0	0	0	112	L301 I302 S308 I309	L301-H305 VanDerWaalsContact O-CB 3.31Å; L301-H305 WeakPolarHBondContact O-CB 3.47Å; L301-H305 PolarHBondContact O-N 3.08Å; I302-H305 PolarHBondContact O-N 3.36Å; H305-S308 PolarHBondContact O-N 2.85Å; H305-I309 WeakPolarHBondContact O-CG1 3.09Å; H305-I309 PolarHBondContact O-N 3.46Å
306	Q	69.3	Low	68.5	Low	114 Å²	114	105.2 Å²	105.2	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-59.1	-47	172.1	-76.3	175.1	-11.7	0	0	111.8	I302 K303 S308 I309 L310	I302-Q306 HydrophobicContact CG2-CG 4.44Å; I302-Q306 WeakPolarHBondContact O-CB 3.19Å; I302-Q306 VanDerWaalsContact O-CG 3.3Å; I302-Q306 WeakPolarHBondContact O-CG 3.41Å; I302-Q306 PolarHBondContact O-N 3.28Å; K303-Q306 PolarHBondContact O-N 3.1Å; Q306-S308 VanDerWaalsContact C-N 3.35Å; Q306-S308 PolarHBondContact O-N 2.99Å; Q306-I309 PolarHBondContact O-N 2.93Å; Q306-L310 WeakPolarHBondContact O-CB 3.33Å; Q306-L310 PolarHBondContact O-N 3.49Å
307	Y	73.8	Confident	68.9	Low	167 Å²	167	105.6 Å²	105.6	66%	0.655	51%	0.508	S	S	*	.	H	α-helix	trans	-63.1	-39.7	177.3	-174.9	-107.2	0	0	0	112.2	K303 S304 L310 K311	K303-Y307 WeakPolarHBondContact O-CB 3.44Å; K303-Y307 PolarHBondContact O-N 3.29Å; S304-Y307 PolarHBondContact O-N 3.26Å; Y307-L310 PolarHBondContact O-N 3.34Å; Y307-K311 VanDerWaalsContact O-CB 3.3Å; Y307-K311 WeakPolarHBondContact O-CB 3.16Å; Y307-K311 PolarHBondContact O-N 3.27Å
308	S	65.5	Low	69.7	Low	55 Å²	55	104.2 Å²	104.2	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-44.4	174	-173.1	0	0	0	0	112.1	S304 H305 Q306 K311 N312	S304-S308 WeakPolarHBondContact O-CB 3.23Å; S304-S308 PolarHBondContact O-N 2.9Å; H305-S308 PolarHBondContact O-N 2.85Å; Q306-S308 VanDerWaalsContact C-N 3.35Å; Q306-S308 PolarHBondContact O-N 2.99Å; S308-K311 PolarHBondContact O-N 2.66Å; S308-N312 WeakPolarHBondContact O-CB 3.2Å; S308-N312 PolarHBondContact O-N 2.98Å; S308-N312 PolarHBondContact O-ND2 3.44Å
309	I	68.8	Low	70.4	Confident	79 Å²	79	102.9 Å²	102.9	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-47.2	173.7	-71.5	167.3	0	0	0	110.6	H305 Q306 K311 N312 I313	H305-I309 WeakPolarHBondContact O-CG1 3.09Å; H305-I309 PolarHBondContact O-N 3.46Å; Q306-I309 PolarHBondContact O-N 2.93Å; I309-K311 PolarHBondContact O-N 3.5Å; I309-N312 PolarHBondContact O-N 2.7Å; I309-I313 HydrophobicContact CG2-CD1 3.76Å; I309-I313 HydrophobicContact CG2-CG1 4.47Å; I309-I313 WeakPolarHBondContact O-CG1 3.49Å; I309-I313 PolarHBondContact O-N 2.8Å
310	L	73	Confident	70.2	Confident	99 Å²	99	104.8 Å²	104.8	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-46.2	179.8	-138.5	78.9	0	0	0	111.3	Q306 Y307 N312 I313 H314	Q306-L310 WeakPolarHBondContact O-CB 3.33Å; Q306-L310 PolarHBondContact O-N 3.49Å; Y307-L310 PolarHBondContact O-N 3.34Å; L310-N312 VanDerWaalsContact C-N 3.34Å; L310-N312 PolarHBondContact O-N 2.87Å; L310-I313 PolarHBondContact O-N 3.02Å; L310-H314 PolarHBondContact O-CD2 3.15Å; L310-H314 VanDerWaalsContact O-CD2 3.26Å; L310-H314 PolarHBondContact O-N 3.46Å
311	K	76.9	Confident	70.4	Confident	124 Å²	124	105.8 Å²	105.8	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-57.8	-45.1	175.2	-176.7	178.1	179.4	-175.9	0	111.5	Y307 S308 I309 I313 H314 Q315	Y307-K311 VanDerWaalsContact O-CB 3.3Å; Y307-K311 WeakPolarHBondContact O-CB 3.16Å; Y307-K311 PolarHBondContact O-N 3.27Å; S308-K311 PolarHBondContact O-N 2.66Å; I309-K311 PolarHBondContact O-N 3.5Å; K311-I313 PolarHBondContact O-N 2.86Å; K311-H314 PolarHBondContact O-N 3.03Å; K311-Q315 VanDerWaalsContact O-CB 3.32Å; K311-Q315 WeakPolarHBondContact O-CB 3.45Å; K311-Q315 PolarHBondContact O-N 3.04Å
312	N	65.3	Low	70.6	Confident	82 Å²	82	102.8 Å²	102.8	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-33.1	177.5	-78.4	-53.5	0	0	0	113.4	S308 I309 L310 R316	S308-N312 WeakPolarHBondContact O-CB 3.2Å; S308-N312 PolarHBondContact O-N 2.98Å; S308-N312 PolarHBondContact O-ND2 3.44Å; I309-N312 PolarHBondContact O-N 2.7Å; L310-N312 VanDerWaalsContact C-N 3.34Å; L310-N312 PolarHBondContact O-N 2.87Å; N312-R316 PolarHBondContact O-N 3.08Å; N312-R316 VanDerWaalsContact O-N 3.12Å
313	I	71.5	Confident	70.6	Confident	65 Å²	65	101.5 Å²	101.5	33%	0.333	50%	0.504	S	S	.	.	H	α-helix	trans	-71.2	-45.9	173.1	-68.7	167.1	0	0	0	110.6	I309 L310 K311 Q315 R316 R317	I309-I313 HydrophobicContact CG2-CD1 3.76Å; I309-I313 HydrophobicContact CG2-CG1 4.47Å; I309-I313 WeakPolarHBondContact O-CG1 3.49Å; I309-I313 PolarHBondContact O-N 2.8Å; L310-I313 PolarHBondContact O-N 3.02Å; K311-I313 PolarHBondContact O-N 2.86Å; I313-Q315 VanDerWaalsContact C-N 3.34Å; I313-Q315 PolarHBondContact O-N 2.84Å; I313-R316 PolarHBondContact O-N 3.24Å; I313-R317 WeakPolarHBondContact O-CG 3.36Å; I313-R317 PolarHBondContact O-N 2.85Å
314	H	76	Confident	70.3	Confident	114 Å²	114	100.2 Å²	100.2	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-40.9	176.3	-85.7	-78.5	0	0	0	112.1	L310 K311 R317 A318	L310-H314 PolarHBondContact O-CD2 3.15Å; L310-H314 VanDerWaalsContact O-CD2 3.26Å; L310-H314 PolarHBondContact O-N 3.46Å; K311-H314 PolarHBondContact O-N 3.03Å; H314-R317 PolarHBondContact O-N 3.06Å; H314-A318 VanDerWaalsContact O-CB 3.29Å; H314-A318 WeakPolarHBondContact O-CB 3.31Å; H314-A318 PolarHBondContact O-N 2.78Å
315	Q	75.7	Confident	70.2	Confident	128 Å²	128	103.3 Å²	103.3	60%	0.598	51%	0.506	S	S	*	.	H	α-helix	trans	-70.4	-35.1	179.1	-167.2	153.7	-12.2	0	0	112.2	K311 I313 S319	K311-Q315 VanDerWaalsContact O-CB 3.32Å; K311-Q315 WeakPolarHBondContact O-CB 3.45Å; K311-Q315 PolarHBondContact O-N 3.04Å; I313-Q315 VanDerWaalsContact C-N 3.34Å; I313-Q315 PolarHBondContact O-N 2.84Å; Q315-S319 WeakPolarHBondContact O-CB 3.3Å; Q315-S319 PolarHBondContact O-N 2.79Å
316	R	71.1	Confident	70.4	Confident	159 Å²	159	102.2 Å²	102.2	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-62.4	-53.6	168.4	-101.8	-177.3	-83.7	-178.7	-9.1	112.1	N312 I313 A318 S319 E320	N312-R316 PolarHBondContact O-N 3.08Å; N312-R316 VanDerWaalsContact O-N 3.12Å; I313-R316 PolarHBondContact O-N 3.24Å; R316-A318 VanDerWaalsContact C-N 3.27Å; R316-A318 PolarHBondContact O-N 2.73Å; R316-S319 WeakPolarHBondContact O-CA 3.35Å; R316-S319 WeakPolarHBondContact O-CB 3.36Å; R316-S319 PolarHBondContact O-N 2.78Å; R316-S319 PolarHBondContact O-OG 3.04Å; R316-E320 WeakPolarHBondContact O-CG 3.46Å; R316-E320 PolarHBondContact O-N 3.5Å
317	R	72.1	Confident	69.8	Low	138 Å²	138	101 Å²	101	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-55.6	-39.4	176.3	-72.1	179.7	-178.1	173.7	1.3	112.8	I313 H314 Q321	I313-R317 WeakPolarHBondContact O-CG 3.36Å; I313-R317 PolarHBondContact O-N 2.85Å; H314-R317 PolarHBondContact O-N 3.06Å; R317-Q321 WeakPolarHBondContact O-CB 3.17Å; R317-Q321 VanDerWaalsContact O-CG 3.3Å; R317-Q321 WeakPolarHBondContact O-CG 3.32Å; R317-Q321 PolarHBondContact O-N 2.72Å
318	A	74.6	Confident	69.2	Low	56 Å²	56	96.3 Å²	96.3	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-40.2	175.5	0	0	0	0	0	112.2	H314 R316 S322	H314-A318 VanDerWaalsContact O-CB 3.29Å; H314-A318 WeakPolarHBondContact O-CB 3.31Å; H314-A318 PolarHBondContact O-N 2.78Å; R316-A318 VanDerWaalsContact C-N 3.27Å; R316-A318 PolarHBondContact O-N 2.73Å; A318-S322 WeakPolarHBondContact O-CB 3.48Å; A318-S322 PolarHBondContact O-N 3Å
319	S	69.7	Low	68.7	Low	56 Å²	56	100.3 Å²	100.3	39%	0.392	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-41.9	174.8	76.4	0	0	0	0	112.2	Q315 R316 S322 S323	Q315-S319 WeakPolarHBondContact O-CB 3.3Å; Q315-S319 PolarHBondContact O-N 2.79Å; R316-S319 WeakPolarHBondContact O-CA 3.35Å; R316-S319 WeakPolarHBondContact O-CB 3.36Å; R316-S319 PolarHBondContact O-N 2.78Å; R316-S319 PolarHBondContact O-OG 3.04Å; S319-S322 PolarHBondContact O-N 3.34Å; S319-S322 PolarHBondContact O-OG 3.35Å; S319-S323 PolarHBondContact O-N 2.83Å; S319-S323 PolarHBondContact O-OG 2.98Å
320	E	65	Low	67.8	Low	99 Å²	99	100.3 Å²	100.3	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-48.9	176.1	-70.4	153.7	-160.1	0	0	110.9	R316 S322 S323 I324	R316-E320 WeakPolarHBondContact O-CG 3.46Å; R316-E320 PolarHBondContact O-N 3.5Å; E320-S322 VanDerWaalsContact C-N 3.3Å; E320-S322 PolarHBondContact O-N 3.16Å; E320-S323 PolarHBondContact O-N 3.01Å; E320-I324 VanDerWaalsContact O-CG1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.21Å; E320-I324 PolarHBondContact O-N 3.3Å
321	Q	71.8	Confident	66.4	Low	138 Å²	138	99.7 Å²	99.7	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-61.5	-35.6	173.9	-74.4	-178.1	6.8	0	0	112.7	R317 K325	R317-Q321 WeakPolarHBondContact O-CB 3.17Å; R317-Q321 VanDerWaalsContact O-CG 3.3Å; R317-Q321 WeakPolarHBondContact O-CG 3.32Å; R317-Q321 PolarHBondContact O-N 2.72Å; Q321-K325 WeakPolarHBondContact O-CB 3.36Å; Q321-K325 PolarHBondContact O-N 3.48Å
322	S	69.9	Low	64.7	Low	56 Å²	56	100.6 Å²	100.6	39%	0.392	52%	0.517	S	S	.	.	H	α-helix	trans	-68.7	-41.4	175.6	83.7	0	0	0	0	111.8	A318 S319 E320 K325 N326	A318-S322 WeakPolarHBondContact O-CB 3.48Å; A318-S322 PolarHBondContact O-N 3Å; S319-S322 PolarHBondContact O-N 3.34Å; S319-S322 PolarHBondContact O-OG 3.35Å; E320-S322 VanDerWaalsContact C-N 3.3Å; E320-S322 PolarHBondContact O-N 3.16Å; S322-K325 PolarHBondContact O-N 2.76Å; S322-N326 WeakPolarHBondContact O-CB 3.26Å; S322-N326 PolarHBondContact O-N 2.75Å; S322-N326 PolarHBondContact O-ND2 3.2Å
323	S	65.7	Low	63.2	Low	71 Å²	71	103.5 Å²	103.5	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-47.9	173.7	-73.7	0	0	0	0	111.3	S319 E320 K325 N326 V327	S319-S323 PolarHBondContact O-N 2.83Å; S319-S323 PolarHBondContact O-OG 2.98Å; E320-S323 PolarHBondContact O-N 3.01Å; S323-K325 VanDerWaalsContact C-N 3.34Å; S323-K325 PolarHBondContact O-N 3.25Å; S323-N326 PolarHBondContact O-N 3.01Å; S323-N326 VanDerWaalsContact O-N 3.16Å; S323-V327 WeakPolarHBondContact O-CG2 3.32Å; S323-V327 PolarHBondContact O-N 3.49Å
324	I	67.7	Low	61.3	Low	108 Å²	108	105.5 Å²	105.5	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-59.7	-45.5	176	-67.9	164.3	0	0	0	110.3	E320 N326 V327 V328	E320-I324 VanDerWaalsContact O-CG1 3.31Å; E320-I324 WeakPolarHBondContact O-CG1 3.21Å; E320-I324 PolarHBondContact O-N 3.3Å; I324-N326 VanDerWaalsContact C-N 3.28Å; I324-N326 PolarHBondContact O-N 3.01Å; I324-V327 PolarHBondContact O-N 3.43Å; I324-V328 HydrophobicContact CG2-CG2 4.34Å; I324-V328 WeakPolarHBondContact O-CB 3.36Å; I324-V328 VanDerWaalsContact O-CG2 3.3Å; I324-V328 WeakPolarHBondContact O-CG2 3.19Å; I324-V328 PolarHBondContact O-N 2.89Å
325	K	67.8	Low	59.1	Low	141 Å²	141	110.9 Å²	110.9	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-65.9	-29.3	178.1	-166.9	169.1	-171.2	169.9	0	112.9	Q321 S322 S323 K329	Q321-K325 WeakPolarHBondContact O-CB 3.36Å; Q321-K325 PolarHBondContact O-N 3.48Å; S322-K325 PolarHBondContact O-N 2.76Å; S323-K325 VanDerWaalsContact C-N 3.34Å; S323-K325 PolarHBondContact O-N 3.25Å; K325-K329 WeakPolarHBondContact O-CB 3.25Å; K325-K329 VanDerWaalsContact O-CG 3.26Å; K325-K329 WeakPolarHBondContact O-CG 3.37Å; K325-K329 PolarHBondContact O-N 2.93Å; K325-K329 VanDerWaalsContact O-N 3.09Å
326	N	66.7	Low	57	Low	97 Å²	97	113.3 Å²	113.3	52%	0.519	57%	0.573	S	S	.	*	H	α-helix	trans	-77	-38.6	174.3	-71.6	-20.3	0	0	0	112.1	S322 S323 I324 K329 S330	S322-N326 WeakPolarHBondContact O-CB 3.26Å; S322-N326 PolarHBondContact O-N 2.75Å; S322-N326 PolarHBondContact O-ND2 3.2Å; S323-N326 PolarHBondContact O-N 3.01Å; S323-N326 VanDerWaalsContact O-N 3.16Å; I324-N326 VanDerWaalsContact C-N 3.28Å; I324-N326 PolarHBondContact O-N 3.01Å; N326-K329 PolarHBondContact O-N 3.38Å; N326-S330 PolarHBondContact O-N 2.69Å; N326-S330 PolarHBondContact O-OG 2.76Å
327	V	57.9	Low	55.1	Low	88 Å²	88	111.2 Å²	111.2	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-63.4	-48.7	171.5	170.5	0	0	0	0	110.6	S323 I324 K329 S330 T331	S323-V327 WeakPolarHBondContact O-CG2 3.32Å; S323-V327 PolarHBondContact O-N 3.49Å; I324-V327 PolarHBondContact O-N 3.43Å; V327-K329 VanDerWaalsContact C-N 3.26Å; V327-K329 PolarHBondContact O-N 3.3Å; V327-S330 PolarHBondContact O-N 2.84Å; V327-S330 VanDerWaalsContact O-N 3.08Å; V327-S330 PolarHBondContact O-OG 2.91Å; V327-T331 PolarHBondContact O-N 2.93Å; V327-T331 PolarHBondContact O-OG1 3.49Å; V327-T331 VanDerWaalsContact O-OG1 3.1Å
328	V	59.7	Low	53.4	Low	70 Å²	70	113 Å²	113	42%	0.424	60%	0.601	S	S	.	*	H	α-helix	trans	-60.6	-35.9	177	171.3	0	0	0	0	111.6	I324 T331 H332	I324-V328 HydrophobicContact CG2-CG2 4.34Å; I324-V328 WeakPolarHBondContact O-CB 3.36Å; I324-V328 VanDerWaalsContact O-CG2 3.3Å; I324-V328 WeakPolarHBondContact O-CG2 3.19Å; I324-V328 PolarHBondContact O-N 2.89Å; V328-T331 WeakPolarHBondContact CA-OG1 3.47Å; V328-T331 PolarHBondContact O-OG1 3.27Å; V328-T331 VanDerWaalsContact O-OG1 3.05Å; V328-H332 WeakPolarHBondContact O-CB 3.48Å; V328-H332 PolarHBondContact O-CD2 3.08Å; V328-H332 VanDerWaalsContact O-CD2 3.24Å; V328-H332 PolarHBondContact O-N 3.3Å
329	K	56.2	Low	51.3	Low	139 Å²	139	119 Å²	119	60%	0.604	62%	0.617	S	S	*	*	H	α-helix	trans	-67.6	-41.7	172.1	-83.5	177.8	172.7	-172.7	0	113.1	K325 N326 V327 T331 H332 Q333	K325-K329 WeakPolarHBondContact O-CB 3.25Å; K325-K329 VanDerWaalsContact O-CG 3.26Å; K325-K329 WeakPolarHBondContact O-CG 3.37Å; K325-K329 PolarHBondContact O-N 2.93Å; K325-K329 VanDerWaalsContact O-N 3.09Å; N326-K329 PolarHBondContact O-N 3.38Å; V327-K329 VanDerWaalsContact C-N 3.26Å; V327-K329 PolarHBondContact O-N 3.3Å; K329-T331 VanDerWaalsContact C-N 3.33Å; K329-H332 PolarHBondContact O-N 2.78Å; K329-Q333 PolarHBondContact O-N 3.27Å
330	S	48.7	Very low	49.7	Very low	79 Å²	79	123.9 Å²	123.9	55%	0.552	64%	0.638	S	S	*	*	H	α-helix	trans	-71.9	-27.7	180	68.6	0	0	0	0	112.6	N326 V327	N326-S330 PolarHBondContact O-N 2.69Å; N326-S330 PolarHBondContact O-OG 2.76Å; V327-S330 PolarHBondContact O-N 2.84Å; V327-S330 VanDerWaalsContact O-N 3.08Å; V327-S330 PolarHBondContact O-OG 2.91Å
331	T	44.7	Very low	48.1	Very low	86 Å²	86	126.3 Å²	126.3	53%	0.528	66%	0.655	S	S	.	*	H	α-helix	trans	-78.2	-13.5	171.2	53.4	0	0	0	0	114.4	V327 V328 K329	V327-T331 PolarHBondContact O-N 2.93Å; V327-T331 PolarHBondContact O-OG1 3.49Å; V327-T331 VanDerWaalsContact O-OG1 3.1Å; V328-T331 WeakPolarHBondContact CA-OG1 3.47Å; V328-T331 PolarHBondContact O-OG1 3.27Å; V328-T331 VanDerWaalsContact O-OG1 3.05Å; K329-T331 VanDerWaalsContact C-N 3.33Å
332	H	42.1	Very low	46.2	Very low	142 Å²	142	127.9 Å²	127.9	66%	0.657	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	20.6	-179.4	-77.8	-53.2	0	0	0	114.6	V328 K329 P334	V328-H332 WeakPolarHBondContact O-CB 3.48Å; V328-H332 PolarHBondContact O-CD2 3.08Å; V328-H332 VanDerWaalsContact O-CD2 3.24Å; V328-H332 PolarHBondContact O-N 3.3Å; K329-H332 PolarHBondContact O-N 2.78Å; H332-P334 WeakPolarHBondContact O-CD 3.46Å
333	Q	31.9	Very low	44.2	Very low	143 Å²	143	130.5 Å²	130.5	67%	0.668	68%	0.678	S	S	*	*			trans	-81.5	107.8	176.1	-152.6	170.4	16.2	0	0	110.6	K329 Y335	K329-Q333 PolarHBondContact O-N 3.27Å; Q333-Y335 PolarHBondContact O-N 2.81Å
334	P	32.4	Very low	42.6	Very low	107 Å²	107	132.8 Å²	132.8	70%	0.695	69%	0.688	S	S	*	*			trans	-88.6	113.8	-171.6	5.8	13.9	0	0	0	110.4	H332 H336	H332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-H336 VanDerWaalsContact C-N 3.31Å; P334-H336 PolarHBondContact O-N 2.75Å
335	Y	30.8	Very low	40.8	Very low	227 Å²	227	137.6 Å²	137.6	89%	0.89	70%	0.701	S	S	*	*			trans	-75.4	78.9	177.1	-101.7	-91.7	0	0	0	112.1	Q333 S337	Q333-Y335 PolarHBondContact O-N 2.81Å; Y335-S337 PolarHBondContact O-N 3.07Å
336	H	31.4	Very low	38.9	Very low	180 Å²	180	135 Å²	135	83%	0.833	70%	0.7	S	S	*	*			trans	-83.5	105	166.1	-102.2	-69.7	0	0	0	110.7	P334	P334-H336 VanDerWaalsContact C-N 3.31Å; P334-H336 PolarHBondContact O-N 2.75Å
337	S	30.8	Very low	37	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	72%	0.716	S	S	*	*			trans	-171	98	149.9	-87.6	0	0	0	0	112.8	Y335	Y335-S337 PolarHBondContact O-N 3.07Å
338	I	36.4	Very low	35.5	Very low	174 Å²	174	139 Å²	139	89%	0.892	73%	0.726	S	S	*	*			trans	-144.7	148.9	135.9	-97.3	151.6	0	0	0	105.6
339	K	31	Very low	34.1	Very low	182 Å²	182	146.3 Å²	146.3	79%	0.791	75%	0.746	S	S	*	*			trans	-93	151.8	-173.9	-57.2	168.9	-174.7	174.8	0	109.9
340	D	35.1	Very low	32.8	Very low	159 Å²	159	149.4 Å²	149.4	85%	0.85	76%	0.759	S	S	*	*				-178.4	161.6	121.1	-87	-7.8	0	0	0	110.5
341	D	30.9	Very low	31.8	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	76%	0.764	S	S	*	*			trans	-87.3	136.9	-161.3	-56	-72.7	0	0	0	115.6
342	Q	31.9	Very low	31	Very low	171 Å²	171	151 Å²	151	80%	0.799	77%	0.769	S	S	*	*			trans	-173	120.5	139.8	-99.4	-50.7	-75.5	0	0	111
343	P	29.2	Very low	30.4	Very low	111 Å²	111	153 Å²	153	72%	0.721	78%	0.781	S	S	*	*			trans	-109.6	108.6	-177.2	36	-27.9	0	0	0	114.1
344	V	31.3	Very low	30.2	Very low	119 Å²	119	157 Å²	157	72%	0.721	79%	0.79	S	S	*	*			trans	-137.5	103.1	176.9	-173.8	0	0	0	0	114.2
345	Y	30.7	Very low	30	Very low	208 Å²	208	159.3 Å²	159.3	82%	0.816	79%	0.791	S	S	*	*			trans	38.4	103.3	136.6	-77.6	-90.8	0	0	0	121.5
346	S	26.8	Very low	29.8	Very low	86 Å²	86	156.7 Å²	156.7	60%	0.601	79%	0.785	S	S	*	*				62	132.5	112.4	72.1	0	0	0	0	122.8
347	E	27	Very low	29.6	Very low	179 Å²	179	158 Å²	158	84%	0.836	79%	0.788	S	S	*	*			trans	81.5	113.8	136	-74.4	179.5	136.2	0	0	122.1
348	A	26.8	Very low	29.5	Very low	90 Å²	90	158 Å²	158	74%	0.744	78%	0.778	S	S	*	*				61.9	93.5	127.9	0	0	0	0	0	119.2
349	R	30.8	Very low	29.1	Very low	225 Å²	225	158.3 Å²	158.3	85%	0.849	78%	0.776	S	S	*	*			trans	-147.4	79.3	145.4	-149.6	162	-67.9	-169.9	2.6	114.2	V351	R349-V351 VanDerWaalsContact C-N 3.26Å; R349-V351 HydrophobicContact CG-CB 4.09Å; R349-V351 HydrophobicContact CG-CG2 3.6Å; R349-V351 PolarHBondContact O-N 2.93Å
350	K	27.9	Very low	28.9	Very low	203 Å²	203	152.5 Å²	152.5	88%	0.883	77%	0.768	S	S	*	*			trans	-65.6	81.9	160.9	-79.4	-171.7	174.5	-175.9	0	109.6
351	V	28.5	Very low	28.7	Very low	110 Å²	110	151.9 Å²	151.9	67%	0.667	77%	0.765	S	S	*	*			trans	-136	106.2	176.6	177.5	0	0	0	0	111.8	R349	R349-V351 VanDerWaalsContact C-N 3.26Å; R349-V351 HydrophobicContact CG-CB 4.09Å; R349-V351 HydrophobicContact CG-CG2 3.6Å; R349-V351 PolarHBondContact O-N 2.93Å
352	S	27	Very low	28.5	Very low	89 Å²	89	152.2 Å²	152.2	62%	0.622	77%	0.766	S	S	*	*			trans	23.3	120.4	144.3	172.8	0	0	0	0	119.7	R354	S352-R354 PolarHBondContact OG-N 3.2Å
353	M	30.5	Very low	28.5	Very low	184 Å²	184	148.4 Å²	148.4	91%	0.906	76%	0.764	S	S	*	*			trans	-115.9	60.9	136.1	-143.2	-174.3	-57.5	0	0	111.2	Q355	M353-Q355 PolarHBondContact O-N 3.47Å; M353-Q355 VanDerWaalsContact O-N 3.14Å
354	R	26.9	Very low	28.6	Very low	226 Å²	226	149.1 Å²	149.1	85%	0.853	77%	0.766	S	S	*	*			trans	-69.9	96.7	167.4	-89.4	-173.4	163.4	-155.7	-2.8	110.7	S352	S352-R354 PolarHBondContact OG-N 3.2Å
355	Q	27.8	Very low	28.5	Very low	157 Å²	157	149.1 Å²	149.1	73%	0.734	76%	0.761	S	S	*	*			trans	-148.7	103.4	160.1	-108.8	142.3	-30.1	0	0	110	M353	M353-Q355 PolarHBondContact O-N 3.47Å; M353-Q355 VanDerWaalsContact O-N 3.14Å
356	K	26.5	Very low	28.6	Very low	172 Å²	172	146.9 Å²	146.9	75%	0.748	76%	0.757	S	S	*	*				73.8	78	85.7	-75.2	-174.1	-179.5	-174.7	0	113.7
357	F	27.6	Very low	28.8	Very low	206 Å²	206	148.4 Å²	148.4	90%	0.904	76%	0.759	S	S	*	*			trans	-150.6	132.6	133.5	-83.8	-78.7	0	0	0	109.9
358	L	28.5	Very low	29.1	Very low	115 Å²	115	147 Å²	147	60%	0.602	76%	0.757	S	S	*	*			cis	-155.9	99.4	-35.7	-147.7	133.1	0	0	0	112.5
359	H	28.3	Very low	29.4	Very low	181 Å²	181	149.7 Å²	149.7	84%	0.838	76%	0.759	S	S	*	*			trans	65.6	163.7	166.3	-56.7	43.8	0	0	0	115.6
360	G	27.8	Very low	29.4	Very low	60 Å²	60	146.4 Å²	146.4	62%	0.619	76%	0.758	S	S	*	*			trans	171.6	-24	177	0	0	0	0	0	118.4
361	N	30.2	Very low	29.8	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	76%	0.755	S	S	*	*			trans	69	127	-174	-37.7	-33.7	0	0	0	111.7
362	D	27.5	Very low	30.1	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	77%	0.766	S	S	*	*				54.9	96.5	52	-60	-42	0	0	0	113
363	A	30.5	Very low	30.4	Very low	91 Å²	91	149.2 Å²	149.2	75%	0.752	78%	0.777	S	S	*	*				-177.8	117.3	111.3	0	0	0	0	0	114.4
364	V	31.3	Very low	30.6	Very low	125 Å²	125	150.8 Å²	150.8	76%	0.758	77%	0.773	S	S	*	*				69.5	104.4	125.2	176.9	0	0	0	0	119.7
365	I	30	Very low	31.1	Very low	120 Å²	120	144.4 Å²	144.4	62%	0.615	76%	0.756	S	S	*	*				18.7	122.6	128.6	5.5	171.4	0	0	0	117.4
366	H	31.9	Very low	31.5	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.745	75%	0.754	S	S	*	*				-158.9	163.6	80.7	-107.1	-60.6	0	0	0	114.4
367	D	32.5	Very low	32	Very low	117 Å²	117	142.8 Å²	142.8	63%	0.626	75%	0.749	S	S	*	*			trans	-80.6	153.8	-176	-35.6	-98.6	0	0	0	111.4
368	D	32.5	Very low	32.7	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	74%	0.735	S	S	*	*				172.8	103.2	129.3	-88.5	-7.2	0	0	0	109.5
369	D	32.4	Very low	33.2	Very low	146 Å²	146	140.8 Å²	140.8	78%	0.781	74%	0.742	S	S	*	*			trans	46.8	158.2	146.5	-61.2	-20.5	0	0	0	124.9
370	D	31.5	Very low	33.9	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	72%	0.715	S	S	*	*			trans	60.1	73.7	155.1	-64.8	-14.9	0	0	0	121.1
371	D	36.3	Very low	35.3	Very low	155 Å²	155	135.3 Å²	135.3	83%	0.829	71%	0.707	S	S	*	*			trans	-172.4	56.7	130.7	-123.9	-14.2	0	0	0	114.8
372	V	33.5	Very low	36.2	Very low	145 Å²	145	136.4 Å²	136.4	88%	0.879	70%	0.702	S	S	*	*			trans	-127.6	72	-176.3	-163.3	0	0	0	0	114.6
373	D	35.2	Very low	37.1	Very low	162 Å²	162	134.8 Å²	134.8	87%	0.866	69%	0.689	S	S	*	*	S	Bend	trans	-144	24.9	155.4	-131.3	-16.2	0	0	0	113.2
374	R	34.4	Very low	38.3	Very low	216 Å²	216	134.5 Å²	134.5	82%	0.815	68%	0.675	S	S	*	*	S	Bend	trans	-113.5	-5.8	-170.9	-144.7	-179.8	-176.5	-153.1	-0.7	116.4
375	D	35.9	Very low	39.7	Very low	92 Å²	92	135.5 Å²	135.5	49%	0.492	67%	0.665	S	S	.	*	S	Bend	trans	-111	-9.2	-171.9	-91	8.6	0	0	0	116	Y377 K378	D375-Y377 PolarHBondContact O-N 3.22Å; D375-Y377 VanDerWaalsContact O-N 3.13Å; D375-K378 HydrophobicContact CB-CD 4.48Å; D375-K378 WeakPolarHBondContact O-CB 3.49Å; D375-K378 PolarHBondContact O-N 3.46Å; D375-K378 WeakPolarHBondContact OD1-CD 3.48Å; D375-K378 WeakPolarHBondContact OD1-CE 3.47Å; D375-K378 IonicContact OD1-NZ 3.61Å; D375-K378 PolarHBondContact OD1-NZ 3.12Å; D375-K378 IonicContact OD2-NZ 2.63Å; D375-K378 PolarHBondContact OD2-NZ 3.36Å
376	N	37.4	Very low	41	Very low	132 Å²	132	132.4 Å²	132.4	71%	0.706	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-65.8	-18.6	176.3	-144.3	1.6	0	0	0	112.7	K378	N376-K378 VanDerWaalsContact C-N 3.28Å; N376-K378 PolarHBondContact O-N 3.36Å
377	Y	36.1	Very low	42.2	Very low	163 Å²	163	130.1 Å²	130.1	64%	0.639	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-74	-9.7	172.3	-123	-85.3	0	0	0	114.5	D375 L388	D375-Y377 PolarHBondContact O-N 3.22Å; D375-Y377 VanDerWaalsContact O-N 3.13Å; Y377-L388 HydrophobicContact CE1-CD1 4.47Å
378	K	42.5	Very low	43.8	Very low	137 Å²	137	127.9 Å²	127.9	60%	0.596	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-88.5	-23	179.1	-68	176.9	-177.6	160.4	0	113.8	D375 N376	D375-K378 HydrophobicContact CB-CD 4.48Å; D375-K378 WeakPolarHBondContact O-CB 3.49Å; D375-K378 PolarHBondContact O-N 3.46Å; D375-K378 WeakPolarHBondContact OD1-CD 3.48Å; D375-K378 WeakPolarHBondContact OD1-CE 3.47Å; D375-K378 IonicContact OD1-NZ 3.61Å; D375-K378 PolarHBondContact OD1-NZ 3.12Å; D375-K378 IonicContact OD2-NZ 2.63Å; D375-K378 PolarHBondContact OD2-NZ 3.36Å; N376-K378 VanDerWaalsContact C-N 3.28Å; N376-K378 PolarHBondContact O-N 3.36Å
379	N	38.7	Very low	45	Very low	142 Å²	142	127 Å²	127	76%	0.759	61%	0.612	S	S	*	*	S	Bend	trans	-89.3	3.8	-178.2	-82.9	-25.5	0	0	0	114.4	T381	N379-T381 PolarHBondContact O-N 2.86Å
380	L	44.9	Very low	45.9	Very low	52 Å²	52	124.6 Å²	124.6	27%	0.272	60%	0.595	S	S	.	*	S	Bend	trans	-71.5	127.6	165.9	-91.7	67.7	0	0	0	110	N384 R385 L388	L380-N384 HydrophobicContact CB-CB 3.89Å; L380-N384 HydrophobicContact CD2-CB 3.91Å; L380-N384 HydrophobicContact CG-CB 3.76Å; L380-R385 HydrophobicContact CB-CG 3.78Å; L380-L388 HydrophobicContact CD2-CD1 3.4Å; L380-L388 HydrophobicContact CD2-CG 4.37Å
381	T	56.1	Low	47.3	Very low	74 Å²	74	119.7 Å²	119.7	45%	0.454	57%	0.57	S	S	.	*			trans	-55.2	159.6	169.9	61.6	0	0	0	0	111.1	N379 Q383 N384 R385	N379-T381 PolarHBondContact O-N 2.86Å; T381-Q383 PolarHBondContact O-N 3.47Å; T381-N384 PolarHBondContact O-N 2.94Å; T381-N384 PolarHBondContact OG1-N 3.23Å; T381-N384 VanDerWaalsContact OG1-N 3.12Å; T381-N384 PolarHBondContact OG1-OD1 2.97Å; T381-R385 PolarHBondContact O-N 2.86Å
382	Y	49	Very low	48.7	Very low	170 Å²	170	118 Å²	118	67%	0.667	56%	0.556	S	S	*	*	H	α-helix	trans	-54.5	-42.5	174.8	-179.8	-102.7	0	0	0	111.7	N384 R385 M386	Y382-N384 PolarHBondContact O-N 2.97Å; Y382-R385 PolarHBondContact O-N 2.86Å; Y382-M386 HydrophobicContact CD1-CG 4.03Å; Y382-M386 HydrophobicContact CD2-CG 4.48Å; Y382-M386 HydrophobicContact CE1-CG 3.64Å; Y382-M386 HydrophobicContact CE1-SD 4.34Å; Y382-M386 HydrophobicContact CE2-CG 4.13Å; Y382-M386 HydrophobicContact CE2-SD 4.16Å; Y382-M386 HydrophobicContact CG-CG 4.43Å; Y382-M386 WeakPolarHBondContact O-CB 3.25Å; Y382-M386 WeakPolarHBondContact O-CG 3.48Å; Y382-M386 PolarHBondContact O-N 2.69Å
383	Q	47.2	Very low	49.5	Very low	124 Å²	124	114 Å²	114	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-58.2	-44.6	172.6	-79.8	172.7	-48.2	0	0	112.9	T381 R385 M386 H387	T381-Q383 PolarHBondContact O-N 3.47Å; Q383-R385 VanDerWaalsContact C-N 3.32Å; Q383-R385 PolarHBondContact O-N 2.89Å; Q383-M386 PolarHBondContact O-N 2.91Å; Q383-H387 VanDerWaalsContact O-CB 3.31Å; Q383-H387 WeakPolarHBondContact O-CB 3.22Å; Q383-H387 PolarHBondContact O-N 2.89Å
384	N	55.4	Low	50.1	Low	85 Å²	85	109.8 Å²	109.8	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-65.9	-34.9	177.8	-67.5	5.7	0	0	0	112.1	L380 T381 Y382 L388	L380-N384 HydrophobicContact CB-CB 3.89Å; L380-N384 HydrophobicContact CD2-CB 3.91Å; L380-N384 HydrophobicContact CG-CB 3.76Å; T381-N384 PolarHBondContact O-N 2.94Å; T381-N384 PolarHBondContact OG1-N 3.23Å; T381-N384 VanDerWaalsContact OG1-N 3.12Å; T381-N384 PolarHBondContact OG1-OD1 2.97Å; Y382-N384 PolarHBondContact O-N 2.97Å; N384-L388 PolarHBondContact O-N 3.16Å
385	R	61.2	Low	50.5	Low	147 Å²	147	103.8 Å²	103.8	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-71	-39.2	175.3	-64.7	-178.4	68.6	174.3	0.8	112.1	L380 T381 Y382 Q383 Y389	L380-R385 HydrophobicContact CB-CG 3.78Å; T381-R385 PolarHBondContact O-N 2.86Å; Y382-R385 PolarHBondContact O-N 2.86Å; Q383-R385 VanDerWaalsContact C-N 3.32Å; Q383-R385 PolarHBondContact O-N 2.89Å; R385-Y389 WeakPolarHBondContact O-CB 3.36Å; R385-Y389 PolarHBondContact O-N 3.44Å
386	M	57.1	Low	51.3	Low	55 Å²	55	104.4 Å²	104.4	27%	0.271	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-41.2	172.3	-70.3	-57.2	-61.1	0	0	111.5	Y382 Q383 Y389 F390	Y382-M386 HydrophobicContact CD1-CG 4.03Å; Y382-M386 HydrophobicContact CD2-CG 4.48Å; Y382-M386 HydrophobicContact CE1-CG 3.64Å; Y382-M386 HydrophobicContact CE1-SD 4.34Å; Y382-M386 HydrophobicContact CE2-CG 4.13Å; Y382-M386 HydrophobicContact CE2-SD 4.16Å; Y382-M386 HydrophobicContact CG-CG 4.43Å; Y382-M386 WeakPolarHBondContact O-CB 3.25Å; Y382-M386 WeakPolarHBondContact O-CG 3.48Å; Y382-M386 PolarHBondContact O-N 2.69Å; Q383-M386 PolarHBondContact O-N 2.91Å; M386-Y389 PolarHBondContact O-N 3.25Å; M386-F390 HydrophobicContact CB-CD2 4.45Å; M386-F390 HydrophobicContact CB-CE2 4.43Å; M386-F390 HydrophobicContact CE-CD2 4.33Å; M386-F390 HydrophobicContact CE-CE2 3.53Å; M386-F390 HydrophobicContact CE-CZ 3.78Å; M386-F390 WeakPolarHBondContact O-CB 3.44Å; M386-F390 WeakPolarHBondContact O-CD2 3.42Å; M386-F390 PolarHBondContact O-N 3.43Å
387	H	56.5	Low	51.4	Low	113 Å²	113	104.5 Å²	104.5	52%	0.523	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-46.8	175.8	-173	-80.6	0	0	0	111.1	Q383 Y389 F390 T391	Q383-H387 VanDerWaalsContact O-CB 3.31Å; Q383-H387 WeakPolarHBondContact O-CB 3.22Å; Q383-H387 PolarHBondContact O-N 2.89Å; H387-Y389 VanDerWaalsContact C-N 3.33Å; H387-Y389 PolarHBondContact O-N 3.34Å; H387-F390 PolarHBondContact O-N 3.25Å; H387-T391 VanDerWaalsContact CE1-CG2 3.47Å; H387-T391 WeakPolarHBondContact CE1-CG2 3.34Å; H387-T391 WeakPolarHBondContact O-CG2 3.45Å; H387-T391 PolarHBondContact O-N 2.85Å; H387-T391 PolarHBondContact O-OG1 3.39Å; H387-T391 VanDerWaalsContact O-OG1 3.09Å
388	L	65.7	Low	51.5	Low	69 Å²	69	102.4 Å²	102.4	36%	0.361	48%	0.482	S	S	.	.	H	α-helix	trans	-61.6	-38.7	173.1	-80.7	178.3	0	0	0	112.9	Y377 L380 N384 T391 K392	Y377-L388 HydrophobicContact CE1-CD1 4.47Å; L380-L388 HydrophobicContact CD2-CD1 3.4Å; L380-L388 HydrophobicContact CD2-CG 4.37Å; N384-L388 PolarHBondContact O-N 3.16Å; L388-T391 PolarHBondContact O-OG1 2.91Å; L388-K392 WeakPolarHBondContact O-CB 3.44Å; L388-K392 PolarHBondContact O-N 3.36Å
389	Y	58	Low	51.3	Low	132 Å²	132	99.4 Å²	99.4	52%	0.518	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176	-179	-94.9	0	0	0	111.6	R385 M386 H387 K392 Q393	R385-Y389 WeakPolarHBondContact O-CB 3.36Å; R385-Y389 PolarHBondContact O-N 3.44Å; M386-Y389 PolarHBondContact O-N 3.25Å; H387-Y389 VanDerWaalsContact C-N 3.33Å; H387-Y389 PolarHBondContact O-N 3.34Å; Y389-K392 PolarHBondContact O-N 2.91Å; Y389-Q393 HydrophobicContact CD1-CG 4.29Å; Y389-Q393 HydrophobicContact CE1-CG 3.88Å; Y389-Q393 WeakPolarHBondContact O-CB 3.46Å; Y389-Q393 WeakPolarHBondContact O-CG 3.29Å; Y389-Q393 PolarHBondContact O-N 2.76Å; Y389-Q393 PolarHBondContact OH-NE2 3.25Å
390	F	52	Low	51.2	Low	96 Å²	96	97.7 Å²	97.7	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-70.8	-42.6	177.2	-73.8	-55.5	0	0	0	112.7	M386 H387 K392 Q393 I394	M386-F390 HydrophobicContact CB-CD2 4.45Å; M386-F390 HydrophobicContact CB-CE2 4.43Å; M386-F390 HydrophobicContact CE-CD2 4.33Å; M386-F390 HydrophobicContact CE-CE2 3.53Å; M386-F390 HydrophobicContact CE-CZ 3.78Å; M386-F390 WeakPolarHBondContact O-CB 3.44Å; M386-F390 WeakPolarHBondContact O-CD2 3.42Å; M386-F390 PolarHBondContact O-N 3.43Å; H387-F390 PolarHBondContact O-N 3.25Å; F390-K392 VanDerWaalsContact C-N 3.29Å; F390-K392 PolarHBondContact O-N 2.81Å; F390-Q393 PolarHBondContact O-N 3.29Å; F390-I394 VanDerWaalsContact O-CB 3.27Å; F390-I394 WeakPolarHBondContact O-CB 3.4Å; F390-I394 WeakPolarHBondContact O-CD1 3.41Å; F390-I394 WeakPolarHBondContact O-CG1 3.16Å; F390-I394 PolarHBondContact O-N 3.31Å
391	T	60.1	Low	50.9	Low	52 Å²	52	101.7 Å²	101.7	32%	0.319	50%	0.495	S	S	.	.	H	α-helix	trans	-64.5	-36.6	174.4	55.7	0	0	0	0	111.3	H387 L388 I394 T395	H387-T391 VanDerWaalsContact CE1-CG2 3.47Å; H387-T391 WeakPolarHBondContact CE1-CG2 3.34Å; H387-T391 WeakPolarHBondContact O-CG2 3.45Å; H387-T391 PolarHBondContact O-N 2.85Å; H387-T391 PolarHBondContact O-OG1 3.39Å; H387-T391 VanDerWaalsContact O-OG1 3.09Å; L388-T391 PolarHBondContact O-OG1 2.91Å; T391-I394 PolarHBondContact O-N 3.28Å; T391-T395 WeakPolarHBondContact O-CB 3.45Å; T391-T395 PolarHBondContact O-N 3.42Å; T391-T395 PolarHBondContact O-OG1 3.09Å; T391-T395 VanDerWaalsContact O-OG1 3.05Å
392	K	66.4	Low	50	Low	120 Å²	120	104.7 Å²	104.7	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-50.9	172.8	178.5	169.5	174.1	171.5	0	111.7	L388 Y389 F390 I394 T395 E396	L388-K392 WeakPolarHBondContact O-CB 3.44Å; L388-K392 PolarHBondContact O-N 3.36Å; Y389-K392 PolarHBondContact O-N 2.91Å; F390-K392 VanDerWaalsContact C-N 3.29Å; F390-K392 PolarHBondContact O-N 2.81Å; K392-I394 VanDerWaalsContact C-N 3.27Å; K392-I394 PolarHBondContact O-N 2.92Å; K392-T395 PolarHBondContact O-N 3.17Å; K392-T395 VanDerWaalsContact O-N 3.1Å; K392-E396 WeakPolarHBondContact CE-OE1 3.32Å; K392-E396 WeakPolarHBondContact CE-OE2 3.09Å; K392-E396 HydrophobicContact CG-CG 4.37Å; K392-E396 IonicContact NZ-OE1 2.71Å; K392-E396 PolarHBondContact NZ-OE1 2.69Å; K392-E396 WeakPolarHBondContact O-CB 3.45Å; K392-E396 WeakPolarHBondContact O-CG 3.43Å; K392-E396 PolarHBondContact O-N 2.76Å
393	Q	50.3	Low	49.6	Very low	61 Å²	61	103.5 Å²	103.5	29%	0.285	51%	0.513	S	S	.	.	H	α-helix	trans	-56.2	-40.5	174.7	-79.3	-78.8	-15.5	0	0	112.1	Y389 F390 E396 Q397	Y389-Q393 HydrophobicContact CD1-CG 4.29Å; Y389-Q393 HydrophobicContact CE1-CG 3.88Å; Y389-Q393 WeakPolarHBondContact O-CB 3.46Å; Y389-Q393 WeakPolarHBondContact O-CG 3.29Å; Y389-Q393 PolarHBondContact O-N 2.76Å; Y389-Q393 PolarHBondContact OH-NE2 3.25Å; F390-Q393 PolarHBondContact O-N 3.29Å; Q393-E396 PolarHBondContact O-N 3.38Å; Q393-Q397 VanDerWaalsContact O-CB 3.26Å; Q393-Q397 WeakPolarHBondContact O-CB 3.32Å; Q393-Q397 WeakPolarHBondContact O-CG 3.37Å; Q393-Q397 PolarHBondContact O-N 2.88Å
394	I	46.7	Very low	49.4	Very low	73 Å²	73	102.8 Å²	102.8	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-44.7	175	-74	167.9	0	0	0	110.7	F390 T391 K392 E396 Q397 F398	F390-I394 VanDerWaalsContact O-CB 3.27Å; F390-I394 WeakPolarHBondContact O-CB 3.4Å; F390-I394 WeakPolarHBondContact O-CD1 3.41Å; F390-I394 WeakPolarHBondContact O-CG1 3.16Å; F390-I394 PolarHBondContact O-N 3.31Å; T391-I394 PolarHBondContact O-N 3.28Å; K392-I394 VanDerWaalsContact C-N 3.27Å; K392-I394 PolarHBondContact O-N 2.92Å; I394-E396 VanDerWaalsContact C-N 3.34Å; I394-E396 PolarHBondContact O-N 3.37Å; I394-Q397 PolarHBondContact O-N 2.83Å; I394-F398 HydrophobicContact CB-CD2 4.39Å; I394-F398 HydrophobicContact CG2-CD2 3.72Å; I394-F398 HydrophobicContact CG2-CE2 4.16Å; I394-F398 WeakPolarHBondContact O-CB 3.39Å; I394-F398 VanDerWaalsContact O-CD2 3.24Å; I394-F398 WeakPolarHBondContact O-CD2 3.47Å; I394-F398 PolarHBondContact O-N 3.28Å
395	T	43.5	Very low	48.5	Very low	90 Å²	90	105.1 Å²	105.1	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-66.8	-34.5	176.4	-60.7	0	0	0	0	112.3	T391 K392 S399	T391-T395 WeakPolarHBondContact O-CB 3.45Å; T391-T395 PolarHBondContact O-N 3.42Å; T391-T395 PolarHBondContact O-OG1 3.09Å; T391-T395 VanDerWaalsContact O-OG1 3.05Å; K392-T395 PolarHBondContact O-N 3.17Å; K392-T395 VanDerWaalsContact O-N 3.1Å; T395-S399 WeakPolarHBondContact O-CB 3.42Å; T395-S399 PolarHBondContact O-N 2.9Å; T395-S399 PolarHBondContact O-OG 2.97Å
396	E	51.9	Low	47.4	Very low	105 Å²	105	105.6 Å²	105.6	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-74	-31	175.2	-70.8	175.2	147.9	0	0	112.2	K392 Q393 I394	K392-E396 WeakPolarHBondContact CE-OE1 3.32Å; K392-E396 WeakPolarHBondContact CE-OE2 3.09Å; K392-E396 HydrophobicContact CG-CG 4.37Å; K392-E396 IonicContact NZ-OE1 2.71Å; K392-E396 PolarHBondContact NZ-OE1 2.69Å; K392-E396 WeakPolarHBondContact O-CB 3.45Å; K392-E396 WeakPolarHBondContact O-CG 3.43Å; K392-E396 PolarHBondContact O-N 2.76Å; Q393-E396 PolarHBondContact O-N 3.38Å; I394-E396 VanDerWaalsContact C-N 3.34Å; I394-E396 PolarHBondContact O-N 3.37Å
397	Q	41	Very low	46.4	Very low	134 Å²	134	108.5 Å²	108.5	63%	0.626	56%	0.56	S	S	*	*	H	α-helix	trans	-89.9	-13.7	176.6	-68	173.5	29.7	0	0	114.8	Q393 I394	Q393-Q397 VanDerWaalsContact O-CB 3.26Å; Q393-Q397 WeakPolarHBondContact O-CB 3.32Å; Q393-Q397 WeakPolarHBondContact O-CG 3.37Å; Q393-Q397 PolarHBondContact O-N 2.88Å; I394-Q397 PolarHBondContact O-N 2.83Å
398	F	37.7	Very low	45.1	Very low	120 Å²	120	106.4 Å²	106.4	53%	0.526	57%	0.568	S	S	.	*	S	Bend	trans	-119.2	12.4	175.3	-65.2	-69.1	0	0	0	113.3	I394 V400	I394-F398 HydrophobicContact CB-CD2 4.39Å; I394-F398 HydrophobicContact CG2-CD2 3.72Å; I394-F398 HydrophobicContact CG2-CE2 4.16Å; I394-F398 WeakPolarHBondContact O-CB 3.39Å; I394-F398 VanDerWaalsContact O-CD2 3.24Å; I394-F398 WeakPolarHBondContact O-CD2 3.47Å; I394-F398 PolarHBondContact O-N 3.28Å; F398-V400 PolarHBondContact O-N 3.12Å; F398-V400 VanDerWaalsContact O-N 3.13Å
399	S	37.6	Very low	43.5	Very low	73 Å²	73	113.6 Å²	113.6	51%	0.51	59%	0.592	S	S	.	*	S	Bend	trans	-64.2	106.8	153.3	-70.5	0	0	0	0	106.2	T395 D401	T395-S399 WeakPolarHBondContact O-CB 3.42Å; T395-S399 PolarHBondContact O-N 2.9Å; T395-S399 PolarHBondContact O-OG 2.97Å; S399-D401 PolarHBondContact O-N 3.44Å; S399-D401 VanDerWaalsContact O-N 3.11Å
400	V	36.9	Very low	42.4	Very low	107 Å²	107	116.3 Å²	116.3	65%	0.648	61%	0.609	S	S	*	*			trans	-72.9	108.2	-173.9	175.5	0	0	0	0	108.5	F398 N402	F398-V400 PolarHBondContact O-N 3.12Å; F398-V400 VanDerWaalsContact O-N 3.13Å; V400-N402 PolarHBondContact O-N 3.35Å
401	D	39.6	Very low	41.3	Very low	136 Å²	136	121.5 Å²	121.5	73%	0.727	63%	0.632	S	S	*	*			trans	-51.1	103.7	163.2	-67.3	-51.2	0	0	0	107.6	S399 D403	S399-D401 PolarHBondContact O-N 3.44Å; S399-D401 VanDerWaalsContact O-N 3.11Å; D401-D403 PolarHBondContact O-N 3.26Å
402	N	37.2	Very low	40	Very low	136.5 Å²	136.5	128 Å²	128	73%	0.73	66%	0.658	S	S	*	*			trans	-77.9	78.6	167.6	-69	-67.9	0	0	0	105.2	V400 V404	V400-N402 PolarHBondContact O-N 3.35Å; N402-V404 HydrophobicContact CB-CG2 4.07Å; N402-V404 PolarHBondContact O-N 3.19Å
403	D	40.3	Very low	38.4	Very low	146 Å²	146	129.9 Å²	129.9	78%	0.781	67%	0.674	S	S	*	*			trans	-58.1	82.8	161	-71.5	-31.8	0	0	0	107.3	D401 D405	D401-D403 PolarHBondContact O-N 3.26Å; D403-D405 PolarHBondContact O-N 3.48Å
404	V	41.3	Very low	37.6	Very low	107.5 Å²	107.5	136.4 Å²	136.4	65%	0.652	71%	0.705	S	S	*	*			trans	-73.5	108.7	166	179	0	0	0	0	104.4	N402 D406	N402-V404 HydrophobicContact CB-CG2 4.07Å; N402-V404 PolarHBondContact O-N 3.19Å; V404-D406 VanDerWaalsContact C-N 3.27Å; V404-D406 PolarHBondContact O-N 3.02Å
405	D	38.5	Very low	36.9	Very low	133.5 Å²	133.5	141.6 Å²	141.6	71%	0.714	73%	0.725	S	S	*	*			trans	-47.7	97.6	171.9	-79.7	-51.1	0	0	0	110.2	D403 N407	D403-D405 PolarHBondContact O-N 3.48Å; D405-N407 PolarHBondContact O-N 3.14Å
406	D	36.8	Very low	36.1	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	73%	0.734	S	S	*	*			trans	-77.5	61.1	177.9	-155.1	15.6	0	0	0	109.4	V404 G408	V404-D406 VanDerWaalsContact C-N 3.27Å; V404-D406 PolarHBondContact O-N 3.02Å; D406-G408 VanDerWaalsContact C-N 3.32Å; D406-G408 PolarHBondContact O-N 3.01Å; D406-G408 VanDerWaalsContact O-N 3.08Å
407	N	36	Very low	35.2	Very low	116 Å²	116	145.5 Å²	145.5	62%	0.62	75%	0.753	S	S	*	*			trans	-80.4	84.3	175.9	-78.1	-60.1	0	0	0	108.5	D405 Y409	D405-N407 PolarHBondContact O-N 3.14Å; N407-Y409 VanDerWaalsContact O-CD2 3.3Å; N407-Y409 WeakPolarHBondContact O-CD2 3.44Å; N407-Y409 PolarHBondContact O-N 2.79Å
408	G	30.3	Very low	34.7	Very low	68 Å²	68	148.2 Å²	148.2	70%	0.701	77%	0.766	S	S	*	*			trans	-52.9	116.1	168.3	0	0	0	0	0	110.9	D406 E410	D406-G408 VanDerWaalsContact C-N 3.32Å; D406-G408 PolarHBondContact O-N 3.01Å; D406-G408 VanDerWaalsContact O-N 3.08Å; G408-E410 PolarHBondContact O-N 2.86Å; G408-E410 VanDerWaalsContact O-N 3.14Å
409	Y	31.6	Very low	34.4	Very low	220.5 Å²	220.5	151.5 Å²	151.5	87%	0.865	78%	0.783	S	S	*	*			trans	-82.6	110.8	167.9	-83.6	-92.8	0	0	0	108.7	N407 K411	N407-Y409 VanDerWaalsContact O-CD2 3.3Å; N407-Y409 WeakPolarHBondContact O-CD2 3.44Å; N407-Y409 PolarHBondContact O-N 2.79Å; Y409-K411 PolarHBondContact O-N 2.99Å
410	E	34.2	Very low	34.1	Very low	188.5 Å²	188.5	153.1 Å²	153.1	88%	0.881	79%	0.794	S	S	*	*			trans	-58.7	131.4	170.1	-67.9	178.6	145.2	0	0	109.8	G408 E412	G408-E410 PolarHBondContact O-N 2.86Å; G408-E410 VanDerWaalsContact O-N 3.14Å; E410-E412 PolarHBondContact O-N 3.43Å
411	K	29.9	Very low	33.7	Very low	204 Å²	204	154.9 Å²	154.9	89%	0.887	80%	0.8	S	S	*	*			trans	-77.9	105.9	172.2	-75.5	179.8	177.3	176.8	0	108.9	Y409 D413	Y409-K411 PolarHBondContact O-N 2.99Å; K411-D413 PolarHBondContact O-N 3.38Å
412	E	33.2	Very low	33.1	Very low	189.5 Å²	189.5	156.9 Å²	156.9	89%	0.886	81%	0.805	S	S	*	*			trans	-116	109.6	165.6	-95.3	177.1	-158.7	0	0	110.8	E410 Q414	E410-E412 PolarHBondContact O-N 3.43Å; E412-Q414 PolarHBondContact O-N 3Å
413	D	33	Very low	32.7	Very low	159 Å²	159	155.8 Å²	155.8	85%	0.85	81%	0.807	S	S	*	*			trans	-119.7	90.9	159.6	-100.2	-31.6	0	0	0	110.5	K411 K415	K411-D413 PolarHBondContact O-N 3.38Å; D413-K415 PolarHBondContact O-N 3.31Å
414	Q	32.8	Very low	32.1	Very low	197.5 Å²	197.5	155.3 Å²	155.3	92%	0.923	81%	0.805	S	S	*	*			trans	-94.5	108.4	169.3	-142.8	170	9.6	0	0	108.9	E412	E412-Q414 PolarHBondContact O-N 3Å
415	K	31.6	Very low	31.6	Very low	183 Å²	183	157.3 Å²	157.3	80%	0.796	81%	0.807	S	S	*	*			trans	-111.1	122.3	-174.6	-172	169.6	-176.1	170.5	0	110.9	D413	D413-K415 PolarHBondContact O-N 3.31Å
416	C	27.1	Very low	31	Very low	112 Å²	112	157.1 Å²	157.1	76%	0.757	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-1.5	142.9	-174.7	-60.4	0	0	0	0	112.7
417	D	32.4	Very low	30.9	Very low	164 Å²	164	155.6 Å²	155.6	88%	0.877	80%	0.798	S	S	*	*	P	Polyproline II helix		-94.5	143.3	93.1	-65.4	-53.2	0	0	0	112.8
418	E	29.9	Very low	30.5	Very low	192.5 Å²	192.5	158.4 Å²	158.4	90%	0.9	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-92.3	126.5	170.7	-67.9	177.9	144.7	0	0	110.2
419	E	32.1	Very low	30.6	Very low	189.5 Å²	189.5	163.5 Å²	163.5	89%	0.886	81%	0.81	S	S	*	*			trans	-115.2	116.8	158.6	-96.6	174.3	177.2	0	0	113.6
420	S	31	Very low	30.4	Very low	106 Å²	106	161.2 Å²	161.2	74%	0.741	81%	0.805	S	S	*	*			trans	152.3	138.4	150	65.8	0	0	0	0	117.3
421	N	28.7	Very low	30.1	Very low	144 Å²	144	159.9 Å²	159.9	77%	0.77	80%	0.799	S	S	*	*			trans	-4.9	134.3	176.6	-54.3	-60.4	0	0	0	114.7
422	E	28.3	Very low	30	Very low	178.5 Å²	178.5	156.9 Å²	156.9	83%	0.834	79%	0.791	S	S	*	*				95.1	119.6	97.2	-67.8	-167.9	152.1	0	0	118.6
423	S	27.6	Very low	29.7	Very low	112.5 Å²	112.5	153.8 Å²	153.8	79%	0.787	78%	0.78	S	S	*	*			trans	71.8	155	149	81.4	0	0	0	0	117.4
424	N	28.6	Very low	29.3	Very low	135.5 Å²	135.5	152.5 Å²	152.5	73%	0.725	77%	0.773	S	S	*	*			cis	-166	163.7	-0.8	-138.5	21.4	0	0	0	108.2
425	E	29.2	Very low	29.1	Very low	150 Å²	150	151.2 Å²	151.2	70%	0.701	77%	0.766	S	S	*	*				-108.9	157.6	-89.4	-99.7	176	130.4	0	0	115.6
426	N	26.7	Very low	28.8	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	76%	0.762	S	S	*	*			trans	77.9	147.7	134.1	-90.6	-14.6	0	0	0	124.2
427	D	33.7	Very low	28.7	Very low	128 Å²	128	149.2 Å²	149.2	68%	0.684	76%	0.764	S	S	*	*			trans	78.2	101.3	149.3	-68.5	-24.2	0	0	0	122.7	F429	D427-F429 WeakPolarHBondContact OD1-CE2 3.18Å
428	H	29.3	Very low	28.6	Very low	174.5 Å²	174.5	150.5 Å²	150.5	81%	0.808	76%	0.762	S	S	*	*				-57.3	143.7	112.2	-134.7	-90.5	0	0	0	116.2
429	F	30.6	Very low	28.4	Very low	176 Å²	176	149 Å²	149	77%	0.772	76%	0.759	S	S	*	*			trans	-152.1	149.8	173.3	-108.3	-82.2	0	0	0	114.8	D427	D427-F429 WeakPolarHBondContact OD1-CE2 3.18Å
430	K	29	Very low	28	Very low	171 Å²	171	145.1 Å²	145.1	74%	0.743	75%	0.754	S	S	*	*			trans	3.1	146.9	172.3	-66.7	154.6	178.4	172.4	0	114.4
431	E	26.5	Very low	28	Very low	162 Å²	162	144 Å²	144	76%	0.757	74%	0.744	S	S	*	*				94.9	138.6	81.3	-123.5	-170.4	-179.4	0	0	118
432	I	28.9	Very low	27.8	Very low	140 Å²	140	143.2 Å²	143.2	72%	0.718	74%	0.738	S	S	*	*			trans	92.5	117.4	156.2	-59.1	163	0	0	0	116.6
433	N	25.6	Very low	27.6	Very low	124.5 Å²	124.5	138.9 Å²	138.9	67%	0.666	72%	0.724	S	S	*	*			cis	119.1	143.8	36.6	-109.7	-33.9	0	0	0	114.7
434	L	24.9	Very low	27.5	Very low	132 Å²	132	141.2 Å²	141.2	69%	0.691	72%	0.722	S	S	*	*			trans	57	111.8	143.6	-84.1	115.5	0	0	0	119.3
435	H	29	Very low	27.3	Very low	171.5 Å²	171.5	145.6 Å²	145.6	79%	0.794	73%	0.729	S	S	*	*				151.7	129.5	122.3	-89.9	-66.7	0	0	0	116.6
436	S	24.5	Very low	27.1	Very low	99 Å²	99	142.1 Å²	142.1	69%	0.692	72%	0.721	S	S	*	*	S	Bend	trans	-4.1	114.3	167	56.2	0	0	0	0	115.4
437	N	26.4	Very low	27.2	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	72%	0.723	S	S	*	*			trans	130.6	117.4	141.4	-85.5	-32.9	0	0	0	116.5	L439	N437-L439 PolarHBondContact O-N 3.08Å
438	K	29.6	Very low	26.9	Very low	190.5 Å²	190.5	145.2 Å²	145.2	83%	0.828	73%	0.726	S	S	*	*			trans	44.8	128.4	140.8	-66.8	-178.1	177.1	-179.6	0	116.1
439	L	25.4	Very low	26.9	Very low	161 Å²	161	145 Å²	145	84%	0.843	73%	0.726	S	S	*	*			trans	169.4	139.9	139.5	-71.7	130.1	0	0	0	112.1	N437 P441	N437-L439 PolarHBondContact O-N 3.08Å; L439-P441 WeakPolarHBondContact O-CD 3.49Å
440	S	24.4	Very low	26.9	Very low	109.5 Å²	109.5	145.4 Å²	145.4	77%	0.766	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-54.7	156.9	160.1	-43.3	0	0	0	0	112.6
441	P	30.9	Very low	26.8	Very low	83 Å²	83	141.3 Å²	141.3	54%	0.539	72%	0.722	S	S	.	*				-114.6	143.1	75.2	19.3	3.1	0	0	0	114.4	L439	L439-P441 WeakPolarHBondContact O-CD 3.49Å
442	I	25.3	Very low	26.9	Very low	127 Å²	127	143.2 Å²	143.2	65%	0.651	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-9.2	143	144.1	-66.8	168.2	0	0	0	113.5
443	V	24.2	Very low	26.9	Very low	88 Å²	88	144.8 Å²	144.8	53%	0.533	73%	0.728	S	S	.	*			trans	108.1	109.8	168.2	169.5	0	0	0	0	113.9
444	Q	24.5	Very low	27.1	Very low	159.5 Å²	159.5	142.2 Å²	142.2	75%	0.745	73%	0.731	S	S	*	*				136	145.9	83.3	-97	167.8	4.9	0	0	114.4	S446	Q444-S446 PolarHBondContact O-N 3.45Å
445	R	24	Very low	27.3	Very low	229 Å²	229	141.6 Å²	141.6	86%	0.864	73%	0.733	S	S	*	*				-122.5	121	-88	-150.9	177	-173.9	170	-0.3	110.7
446	S	25.7	Very low	27.3	Very low	75.5 Å²	75.5	139.6 Å²	139.6	53%	0.528	73%	0.728	S	S	.	*			trans	126.7	134.4	150.6	55.9	0	0	0	0	116.2	Q444	Q444-S446 PolarHBondContact O-N 3.45Å
447	H	29.3	Very low	27.4	Very low	162 Å²	162	143.4 Å²	143.4	75%	0.75	74%	0.737	S	S	*	*			trans	71.7	114	153.7	-43.6	-54.8	0	0	0	116.4	E449	H447-E449 PolarHBondContact O-N 3.5Å
448	H	27.4	Very low	27.6	Very low	160.5 Å²	160.5	143 Å²	143	74%	0.743	73%	0.733	S	S	*	*				-103.5	118.3	76.7	-116.4	-73.3	0	0	0	108.5	C451	H448-C451 VanDerWaalsContact CE1-SG 3.53Å; H448-C451 PolarHBondContact ND1-SG 3.05Å
449	E	28.2	Very low	27.8	Very low	171.5 Å²	171.5	140.3 Å²	140.3	80%	0.801	73%	0.728	S	S	*	*	S	Bend	trans	-119	140.4	138.5	-128.1	158.7	-164.6	0	0	107	H447 C451	H447-E449 PolarHBondContact O-N 3.5Å; E449-C451 VanDerWaalsContact C-N 3.26Å; E449-C451 PolarHBondContact O-N 3.18Å
450	E	30.5	Very low	28.1	Very low	182.5 Å²	182.5	140.3 Å²	140.3	85%	0.853	72%	0.723	S	S	*	*			trans	-23.9	86.3	-179.4	-62.9	179.5	167.5	0	0	113.6	Y452	E450-Y452 PolarHBondContact O-N 3.04Å
451	C	28.1	Very low	28.4	Very low	86.5 Å²	86.5	142.1 Å²	142.1	58%	0.584	72%	0.723	S	S	*	*				-1.7	105.1	91.9	-95.4	0	0	0	0	113	H448 E449 E453	H448-C451 VanDerWaalsContact CE1-SG 3.53Å; H448-C451 PolarHBondContact ND1-SG 3.05Å; E449-C451 VanDerWaalsContact C-N 3.26Å; E449-C451 PolarHBondContact O-N 3.18Å; C451-E453 PolarHBondContact O-N 3.27Å
452	Y	27.3	Very low	28.5	Very low	201.5 Å²	201.5	145.2 Å²	145.2	79%	0.79	73%	0.73	S	S	*	*			trans	15.4	129.2	158.5	-68.9	-82.1	0	0	0	114.4	E450 G454	E450-Y452 PolarHBondContact O-N 3.04Å; Y452-G454 PolarHBondContact O-N 3.19Å
453	E	29.4	Very low	28.7	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	74%	0.736	S	S	*	*				-124.6	121.7	75.7	-141.3	153.8	-155.9	0	0	108.3	C451 T455	C451-E453 PolarHBondContact O-N 3.27Å; E453-T455 VanDerWaalsContact C-N 3.29Å; E453-T455 PolarHBondContact O-N 2.92Å
454	G	29.1	Very low	29	Very low	70 Å²	70	150.5 Å²	150.5	72%	0.722	75%	0.747	S	S	*	*				-113.8	111.1	82.1	0	0	0	0	0	110.4	Y452	Y452-G454 PolarHBondContact O-N 3.19Å
455	T	29.5	Very low	29.2	Very low	119 Å²	119	147.3 Å²	147.3	73%	0.73	74%	0.739	S	S	*	*			trans	-87.3	121.2	170.5	10	0	0	0	0	110.4	E453	E453-T455 VanDerWaalsContact C-N 3.29Å; E453-T455 PolarHBondContact O-N 2.92Å
456	N	29.2	Very low	29.4	Very low	129.5 Å²	129.5	142.2 Å²	142.2	69%	0.693	74%	0.735	S	S	*	*			trans	60.6	103.5	160.3	-62.4	-27.6	0	0	0	117.4	I458	N456-I458 HydrophobicContact CB-CD1 4.44Å; N456-I458 HydrophobicContact CB-CG1 4.3Å; N456-I458 PolarHBondContact O-N 3.16Å; N456-I458 VanDerWaalsContact O-N 3.09Å
457	M	26.6	Very low	29.5	Very low	179 Å²	179	143.6 Å²	143.6	88%	0.882	74%	0.74	S	S	*	*			trans	-88.8	67	147.2	-82.3	-170.5	-79.5	0	0	110.8
458	I	31.2	Very low	29.5	Very low	143 Å²	143	141.7 Å²	141.7	73%	0.733	74%	0.74	S	S	*	*			trans	-112.7	44.7	166.5	-67.6	179.7	0	0	0	109.8	N456	N456-I458 HydrophobicContact CB-CD1 4.44Å; N456-I458 HydrophobicContact CB-CG1 4.3Å; N456-I458 PolarHBondContact O-N 3.16Å; N456-I458 VanDerWaalsContact O-N 3.09Å
459	D	32.6	Very low	29.6	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	74%	0.739	S	S	*	*	S	Bend	trans	-26.2	37	163.2	-67.6	-36.4	0	0	0	117.5
460	E	33.3	Very low	29.6	Very low	160 Å²	160	139.7 Å²	139.7	75%	0.748	74%	0.737	S	S	*	*			trans	-131	40.5	159.7	-137.8	170.1	-151	0	0	114.6	Q462	E460-Q462 PolarHBondContact O-N 3.38Å; E460-Q462 VanDerWaalsContact O-N 3.07Å
461	I	30.8	Very low	29.6	Very low	147.5 Å²	147.5	137.8 Å²	137.8	76%	0.756	73%	0.733	S	S	*	*			trans	-95.3	64	152	-51.1	-178.8	0	0	0	108.2	K463	I461-K463 HydrophobicContact CG2-CG 4.19Å; I461-K463 PolarHBondContact O-N 3.47Å
462	Q	32.8	Very low	29.7	Very low	148 Å²	148	141.9 Å²	141.9	69%	0.692	74%	0.744	S	S	*	*			trans	-86.4	44.5	159.5	-90.3	-174.6	21.4	0	0	110.1	E460 I464	E460-Q462 PolarHBondContact O-N 3.38Å; E460-Q462 VanDerWaalsContact O-N 3.07Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.75Å
463	K	28.8	Very low	29.8	Very low	176 Å²	176	140.9 Å²	140.9	77%	0.765	74%	0.743	S	S	*	*	S	Bend	trans	-89.4	69	171	-77.9	-179.5	175.8	173.1	0	111.6	I461	I461-K463 HydrophobicContact CG2-CG 4.19Å; I461-K463 PolarHBondContact O-N 3.47Å
464	I	31.4	Very low	29.9	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	74%	0.743	S	S	*	*			trans	-127.1	81.4	145.7	-71.2	158	0	0	0	106	Q462 P466	Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.75Å; I464-P466 VanDerWaalsContact O-CD 3.31Å; I464-P466 WeakPolarHBondContact O-CD 3.24Å
465	T	27.4	Very low	29.8	Very low	93 Å²	93	139 Å²	139	57%	0.571	74%	0.744	S	S	*	*			trans	-57.9	125.5	164.1	-48.1	0	0	0	0	108.8	T467	T465-T467 VanDerWaalsContact C-N 3.34Å; T465-T467 WeakPolarHBondContact CB-OG1 3.5Å; T465-T467 WeakPolarHBondContact CG2-OG1 3.36Å; T465-T467 PolarHBondContact O-N 3.12Å; T465-T467 PolarHBondContact O-OG1 2.8Å
466	P	28.9	Very low	29.9	Very low	120.5 Å²	120.5	142 Å²	142	78%	0.782	75%	0.75	S	S	*	*			trans	-68.2	89.5	161.3	29.8	-30.5	0	0	0	106.5	I464 V468	I464-P466 VanDerWaalsContact O-CD 3.31Å; I464-P466 WeakPolarHBondContact O-CD 3.24Å; P466-V468 HydrophobicContact CB-CG2 4.28Å; P466-V468 PolarHBondContact O-N 2.88Å
467	T	27.1	Very low	29.8	Very low	105 Å²	105	141.6 Å²	141.6	64%	0.644	75%	0.752	S	S	*	*			trans	-96	107.8	174.1	-37.9	0	0	0	0	106.4	T465 I469	T465-T467 VanDerWaalsContact C-N 3.34Å; T465-T467 WeakPolarHBondContact CB-OG1 3.5Å; T465-T467 WeakPolarHBondContact CG2-OG1 3.36Å; T465-T467 PolarHBondContact O-N 3.12Å; T465-T467 PolarHBondContact O-OG1 2.8Å; T467-I469 HydrophobicContact CG2-CG1 3.97Å; T467-I469 PolarHBondContact O-N 2.83Å
468	V	30.6	Very low	30	Very low	123 Å²	123	142.3 Å²	142.3	75%	0.745	75%	0.751	S	S	*	*			trans	11.5	77.5	176.6	-173.5	0	0	0	0	109.7	P466 I470	P466-V468 HydrophobicContact CB-CG2 4.28Å; P466-V468 PolarHBondContact O-N 2.88Å; V468-I470 VanDerWaalsContact C-N 3.29Å; V468-I470 HydrophobicContact CG1-CD1 3.64Å; V468-I470 HydrophobicContact CG1-CG1 3.71Å; V468-I470 PolarHBondContact O-N 3.21Å
469	I	28.1	Very low	29.9	Very low	142 Å²	142	142.2 Å²	142.2	73%	0.728	75%	0.751	S	S	*	*			trans	-45.1	119.8	154.2	-61	167.3	0	0	0	108.7	T467 D471	T467-I469 HydrophobicContact CG2-CG1 3.97Å; T467-I469 PolarHBondContact O-N 2.83Å; I469-D471 PolarHBondContact O-N 2.77Å; I469-D471 VanDerWaalsContact O-N 3.14Å
470	I	28.2	Very low	29.6	Very low	148 Å²	148	144.9 Å²	144.9	76%	0.759	76%	0.757	S	S	*	*			trans	-84.1	110.8	159.8	-68.3	167.4	0	0	0	106.2	V468 E472	V468-I470 VanDerWaalsContact C-N 3.29Å; V468-I470 HydrophobicContact CG1-CD1 3.64Å; V468-I470 HydrophobicContact CG1-CG1 3.71Å; V468-I470 PolarHBondContact O-N 3.21Å; I470-E472 PolarHBondContact O-N 3.07Å
471	D	31.9	Very low	29.4	Very low	141.5 Å²	141.5	143.2 Å²	143.2	76%	0.757	76%	0.757	S	S	*	*			trans	-70.3	111	179.7	-111.7	-39.2	0	0	0	110.7	I469 K473	I469-D471 PolarHBondContact O-N 2.77Å; I469-D471 VanDerWaalsContact O-N 3.14Å; D471-K473 HydrophobicContact CB-CB 4.5Å; D471-K473 PolarHBondContact O-N 2.99Å; D471-K473 VanDerWaalsContact O-N 3.17Å
472	E	28.8	Very low	29.2	Very low	173.5 Å²	173.5	144.1 Å²	144.1	81%	0.811	76%	0.758	S	S	*	*			trans	-76.1	95.7	159	-142.2	-176.4	-160.9	0	0	109.3	I470	I470-E472 PolarHBondContact O-N 3.07Å
473	K	29.7	Very low	29.1	Very low	179.5 Å²	179.5	141.8 Å²	141.8	78%	0.78	76%	0.758	S	S	*	*			trans	151.5	102.5	167.2	-82.8	156.4	-173	172.9	0	116.7	D471	D471-K473 HydrophobicContact CB-CB 4.5Å; D471-K473 PolarHBondContact O-N 2.99Å; D471-K473 VanDerWaalsContact O-N 3.17Å
474	A	30.9	Very low	29.1	Very low	97 Å²	97	139.2 Å²	139.2	80%	0.802	76%	0.757	S	S	*	*			trans	141.1	91	135.6	0	0	0	0	0	114.1
475	S	28.1	Very low	28.9	Very low	107.5 Å²	107.5	141.5 Å²	141.5	75%	0.752	76%	0.758	S	S	*	*			trans	-15.7	124.4	149.2	-50.9	0	0	0	0	115.9
476	E	30.5	Very low	29	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	77%	0.765	S	S	*	*			trans	134.2	120	139.7	-99.9	177.4	-163	0	0	116.4
477	T	27.6	Very low	29	Very low	121 Å²	121	143.7 Å²	143.7	74%	0.742	76%	0.764	S	S	*	*			trans	-125.9	116.6	157	39.3	0	0	0	0	110.3	N479	T477-N479 PolarHBondContact O-N 2.79Å
478	K	30.1	Very low	29.1	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	77%	0.769	S	S	*	*			trans	-104.4	107.8	155.3	-96	167.3	-178.8	168.3	0	110
479	N	29.7	Very low	29.2	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	77%	0.769	S	S	*	*			trans	-88.4	123.7	169.8	-64.3	-42.8	0	0	0	109	T477 V481	T477-N479 PolarHBondContact O-N 2.79Å; N479-V481 PolarHBondContact O-N 3.32Å; N479-V481 VanDerWaalsContact O-N 3.16Å
480	F	27.7	Very low	29.2	Very low	192.5 Å²	192.5	147.5 Å²	147.5	84%	0.844	77%	0.774	S	S	*	*			trans	-95.2	124.2	149.4	-98.1	-87.8	0	0	0	112.1	Q482	F480-Q482 PolarHBondContact O-N 3.38Å; F480-Q482 VanDerWaalsContact O-N 3.09Å
481	V	27.4	Very low	29.4	Very low	123.5 Å²	123.5	147.5 Å²	147.5	75%	0.748	78%	0.775	S	S	*	*			trans	-58.4	129.2	166.1	-162.1	0	0	0	0	108.7	N479 S483	N479-V481 PolarHBondContact O-N 3.32Å; N479-V481 VanDerWaalsContact O-N 3.16Å; V481-S483 PolarHBondContact O-N 2.97Å
482	Q	28.4	Very low	29.3	Very low	166.5 Å²	166.5	146.6 Å²	146.6	78%	0.778	77%	0.77	S	S	*	*				-116.1	128.6	114	-167.4	163.2	-10.4	0	0	113.5	F480 T484	F480-Q482 PolarHBondContact O-N 3.38Å; F480-Q482 VanDerWaalsContact O-N 3.09Å; Q482-T484 PolarHBondContact O-N 3.45Å
483	S	29.9	Very low	29.5	Very low	99.5 Å²	99.5	144.6 Å²	144.6	70%	0.696	77%	0.766	S	S	*	*			trans	2.2	107.1	160.5	48.6	0	0	0	0	115.6	V481	V481-S483 PolarHBondContact O-N 2.97Å
484	T	28.1	Very low	29.5	Very low	121.5 Å²	121.5	141.8 Å²	141.8	75%	0.745	76%	0.759	S	S	*	*			trans	-15	131.3	152.3	8.6	0	0	0	0	116.1	Q482 T486	Q482-T484 PolarHBondContact O-N 3.45Å; T484-T486 PolarHBondContact O-N 3.47Å
485	Y	27.4	Very low	29.5	Very low	198.5 Å²	198.5	145.6 Å²	145.6	78%	0.778	76%	0.76	S	S	*	*				-110.5	127.4	118.2	-93.7	-98	0	0	0	111.8
486	T	29.5	Very low	29.5	Very low	116.5 Å²	116.5	146.9 Å²	146.9	72%	0.715	76%	0.764	S	S	*	*			trans	-30.8	125.4	149.6	11	0	0	0	0	114.8	T484 V488	T484-T486 PolarHBondContact O-N 3.47Å; T486-V488 PolarHBondContact O-N 3.21Å
487	N	28.4	Very low	29.3	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	76%	0.76	S	S	*	*				-113.7	157.4	-95.2	-78.8	-32.3	0	0	0	108
488	V	30.2	Very low	29.2	Very low	123.5 Å²	123.5	144.6 Å²	144.6	75%	0.748	76%	0.762	S	S	*	*				-145.8	135	81.8	-175	0	0	0	0	107.8	T486 Y490	T486-V488 PolarHBondContact O-N 3.21Å; V488-Y490 HydrophobicContact CG1-CD2 4.46Å
489	P	32.6	Very low	29.2	Very low	115.5 Å²	115.5	140.5 Å²	140.5	75%	0.75	76%	0.757	S	S	*	*			trans	-93.2	156.3	-164	23.6	-14.5	0	0	0	113.8	D491	P489-D491 PolarHBondContact O-N 2.95Å
490	Y	29	Very low	29	Very low	212 Å²	212	140.8 Å²	140.8	83%	0.831	76%	0.758	S	S	*	*			trans	-93.9	139.1	159.2	-100.3	-89.1	0	0	0	112	V488 N492	V488-Y490 HydrophobicContact CG1-CD2 4.46Å; Y490-N492 WeakPolarHBondContact CD1-ND2 3.38Å; Y490-N492 WeakPolarHBondContact CD1-OD1 3.43Å
491	D	31.3	Very low	29	Very low	147 Å²	147	137 Å²	137	79%	0.786	76%	0.755	S	S	*	*			trans	-125.7	130.7	-179.5	-138.2	-10.9	0	0	0	109.2	P489 N493	P489-D491 PolarHBondContact O-N 2.95Å; D491-N493 VanDerWaalsContact C-N 3.35Å; D491-N493 PolarHBondContact O-N 3.46Å
492	N	30.6	Very low	28.9	Very low	122 Å²	122	136.6 Å²	136.6	65%	0.652	75%	0.753	S	S	*	*			trans	1.8	123.6	165.3	-67.7	-40.8	0	0	0	111.8	Y490	Y490-N492 WeakPolarHBondContact CD1-ND2 3.38Å; Y490-N492 WeakPolarHBondContact CD1-OD1 3.43Å
493	N	32.8	Very low	28.8	Very low	132.5 Å²	132.5	133.1 Å²	133.1	71%	0.709	75%	0.752	S	S	*	*				-146	125.4	80.4	-122.2	7.7	0	0	0	112.2	D491	D491-N493 VanDerWaalsContact C-N 3.35Å; D491-N493 PolarHBondContact O-N 3.46Å
494	D	29.4	Very low	28.7	Very low	121 Å²	121	133.4 Å²	133.4	65%	0.647	75%	0.754	S	S	*	*			trans	1.9	133.1	146.3	-58.4	-40.8	0	0	0	120.3
495	Q	30.5	Very low	29	Very low	175.5 Å²	175.5	133.5 Å²	133.5	82%	0.82	76%	0.756	S	S	*	*			trans	112.6	109.1	131.5	-73.5	161.4	54.1	0	0	112.7
496	T	27.7	Very low	29	Very low	135.5 Å²	135.5	130 Å²	130	83%	0.831	76%	0.756	S	S	*	*				145.4	139.1	91.4	36	0	0	0	0	114.2
497	V	27.1	Very low	28.9	Very low	129.5 Å²	129.5	131.4 Å²	131.4	79%	0.785	76%	0.759	S	S	*	*			trans	9.4	123.2	178.6	-179	0	0	0	0	112.4
498	V	25.4	Very low	28.9	Very low	126.5 Å²	126.5	131.7 Å²	131.7	77%	0.767	76%	0.759	S	S	*	*				60.9	107.7	94.8	-179.2	0	0	0	0	115.4
499	S	29.7	Very low	28.7	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	76%	0.76	S	S	*	*			trans	-160.9	107.4	137	-128.1	0	0	0	0	108	C501	S499-C501 PolarHBondContact O-N 3.14Å
500	L	25.5	Very low	28.5	Very low	145 Å²	145	131.4 Å²	131.4	76%	0.759	75%	0.753	S	S	*	*				8.8	100.4	105.5	-167.5	74.7	0	0	0	110.1	T502	L500-T502 VanDerWaalsContact C-N 3.3Å; L500-T502 HydrophobicContact CD1-CG2 3.95Å; L500-T502 HydrophobicContact CG-CG2 4.5Å; L500-T502 PolarHBondContact O-N 3.49Å
501	C	27.2	Very low	28.5	Very low	114.5 Å²	114.5	127.5 Å²	127.5	77%	0.774	74%	0.742	S	S	*	*			trans	-120.5	99.7	153.2	-83.9	0	0	0	0	107.2	S499 A503	S499-C501 PolarHBondContact O-N 3.14Å; C501-A503 VanDerWaalsContact C-N 3.26Å; C501-A503 PolarHBondContact O-N 2.77Å
502	T	25.9	Very low	28.3	Very low	115 Å²	115	128 Å²	128	71%	0.706	74%	0.739	S	S	*	*				-1.4	114	119.2	55.7	0	0	0	0	110.4	L500 S504	L500-T502 VanDerWaalsContact C-N 3.3Å; L500-T502 HydrophobicContact CD1-CG2 3.95Å; L500-T502 HydrophobicContact CG-CG2 4.5Å; L500-T502 PolarHBondContact O-N 3.49Å; T502-S504 PolarHBondContact O-N 2.86Å; T502-S504 VanDerWaalsContact O-N 3.11Å
503	A	27.5	Very low	28.2	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	75%	0.745	S	S	*	*				-114	144.5	79.3	0	0	0	0	0	107.5	C501	C501-A503 VanDerWaalsContact C-N 3.26Å; C501-A503 PolarHBondContact O-N 2.77Å
504	S	26.8	Very low	27.9	Very low	106.5 Å²	106.5	129 Å²	129	75%	0.745	74%	0.743	S	S	*	*				-98.4	139.8	94.8	-52.4	0	0	0	0	110.7	T502 T506	T502-S504 PolarHBondContact O-N 2.86Å; T502-S504 VanDerWaalsContact O-N 3.11Å; S504-T506 PolarHBondContact O-N 3Å
505	P	33.7	Very low	27.9	Very low	122 Å²	122	129 Å²	129	79%	0.792	74%	0.743	S	S	*	*			trans	-75.4	144.4	170.6	9.5	-2.3	0	0	0	110.5	N507	P505-N507 PolarHBondContact O-N 2.88Å
506	T	28.9	Very low	27.8	Very low	125.5 Å²	125.5	131.5 Å²	131.5	77%	0.77	75%	0.745	S	S	*	*			trans	-112.1	124.6	160	-15.1	0	0	0	0	111.6	S504 I508	S504-T506 PolarHBondContact O-N 3Å; T506-I508 PolarHBondContact O-N 3.04Å; T506-I508 VanDerWaalsContact O-N 3.07Å
507	N	26.5	Very low	27.8	Very low	145.5 Å²	145.5	132.9 Å²	132.9	78%	0.778	74%	0.742	S	S	*	*			trans	6	125.2	143.8	-74.9	-20.4	0	0	0	115.6	P505	P505-N507 PolarHBondContact O-N 2.88Å
508	I	29.1	Very low	27.8	Very low	152 Å²	152	134.3 Å²	134.3	78%	0.779	74%	0.74	S	S	*	*				-138.4	139.7	66.8	-91.7	172.8	0	0	0	109.6	T506	T506-I508 PolarHBondContact O-N 3.04Å; T506-I508 VanDerWaalsContact O-N 3.07Å
509	L	25.3	Very low	28	Very low	144.5 Å²	144.5	137.6 Å²	137.6	76%	0.757	75%	0.745	S	S	*	*			trans	-46.7	133.8	170.3	-145.5	66.8	0	0	0	113.5
510	S	28.3	Very low	27.9	Very low	88 Å²	88	139.2 Å²	139.2	62%	0.615	74%	0.743	S	S	*	*				-167.6	123.5	101.4	106.5	0	0	0	0	111.6
511	H	28.6	Very low	28.2	Very low	128.5 Å²	128.5	137.6 Å²	137.6	60%	0.595	74%	0.741	S	S	*	*				51.6	99.9	127.3	-67.2	-3.2	0	0	0	116.9
512	H	27.7	Very low	28.4	Very low	157.5 Å²	157.5	140.5 Å²	140.5	73%	0.729	74%	0.743	S	S	*	*				103.7	101.7	81.6	-82.4	-78.2	0	0	0	112.2
513	H	28.7	Very low	28.6	Very low	168.5 Å²	168.5	141.6 Å²	141.6	78%	0.78	75%	0.745	S	S	*	*				136.2	105.2	99.5	-96.4	-66.4	0	0	0	112.7
514	T	26.9	Very low	28.6	Very low	108.5 Å²	108.5	147.7 Å²	147.7	67%	0.666	75%	0.75	S	S	*	*				-125.8	140.1	78.6	13.9	0	0	0	0	109.5
515	D	28	Very low	28.8	Very low	120 Å²	120	148.8 Å²	148.8	64%	0.642	75%	0.752	S	S	*	*			trans	133.7	126	137.8	-94.1	-24.2	0	0	0	118.7
516	R	28.3	Very low	28.4	Very low	229 Å²	229	150.3 Å²	150.3	86%	0.864	75%	0.752	S	S	*	*			trans	120.7	90.7	133.8	-84.4	165.6	176.2	-162.6	-4.5	114.7
517	Q	27.8	Very low	28.3	Very low	164.5 Å²	164.5	148.5 Å²	148.5	77%	0.769	74%	0.744	S	S	*	*				136.7	109.7	109.5	-90.9	177.9	43.6	0	0	112
518	Q	28.1	Very low	28.4	Very low	158.5 Å²	158.5	144.8 Å²	144.8	74%	0.741	73%	0.73	S	S	*	*				72.6	115.9	116	-73.5	-178.2	-13.2	0	0	116.7
519	F	28.6	Very low	28.3	Very low	196 Å²	196	142.7 Å²	142.7	86%	0.86	72%	0.724	S	S	*	*			trans	-118.8	150.2	138.7	-86.6	-96.2	0	0	0	111.6
520	I	29.1	Very low	28.6	Very low	141 Å²	141	142.6 Å²	142.6	72%	0.723	72%	0.724	S	S	*	*			trans	-117.1	137	179.8	-63.8	174.7	0	0	0	109.9	Q522	I520-Q522 HydrophobicContact CG2-CG 3.99Å
521	P	31.8	Very low	28.5	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	74%	0.736	S	S	*	*			trans	-91.6	143.2	176.9	35.3	-29.4	0	0	0	111.9
522	Q	31.6	Very low	28.5	Very low	174.5 Å²	174.5	149.9 Å²	149.9	82%	0.815	75%	0.746	S	S	*	*			trans	-144.2	104.9	176	-91.2	177	-52.4	0	0	109.8	I520 Y524	I520-Q522 HydrophobicContact CG2-CG 3.99Å; Q522-Y524 PolarHBondContact O-N 3.27Å
523	D	29.7	Very low	28.5	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	75%	0.749	S	S	*	*				-116.1	117.3	72.8	-77.4	-48.9	0	0	0	107.2
524	Y	27.5	Very low	28.5	Very low	221 Å²	221	147.9 Å²	147.9	87%	0.867	75%	0.751	S	S	*	*			trans	-129.8	131.4	157.8	-108.8	-85.6	0	0	0	110.6	Q522	Q522-Y524 PolarHBondContact O-N 3.27Å
525	V	30.2	Very low	28.6	Very low	128 Å²	128	147.6 Å²	147.6	78%	0.776	75%	0.751	S	S	*	*			trans	-114	124.4	167.9	177.1	0	0	0	0	109.6
526	I	26.3	Very low	28.4	Very low	154 Å²	154	151.5 Å²	151.5	79%	0.79	76%	0.758	S	S	*	*			trans	-129.2	137.3	168.2	-59.5	176.5	0	0	0	108.3
527	S	26.2	Very low	28.4	Very low	88.5 Å²	88.5	147.7 Å²	147.7	62%	0.619	76%	0.755	S	S	*	*			trans	-130.6	164.3	168.6	65.8	0	0	0	0	110.7
528	S	28.3	Very low	28.4	Very low	67.5 Å²	67.5	145.9 Å²	145.9	47%	0.472	75%	0.75	S	S	.	*				-117.3	140.8	119.2	-77.3	0	0	0	0	113.7	D150	D150-S528 WeakPolarHBondContact OD1-CB 3.33Å; D150-S528 PolarHBondContact OD1-OG 3.3Å
529	T	28.3	Very low	28.6	Very low	108 Å²	108	146.4 Å²	146.4	66%	0.663	75%	0.752	S	S	*	*			trans	14.9	129.5	133.4	53	0	0	0	0	119.5
530	D	30.6	Very low	28.5	Very low	141.5 Å²	141.5	142.9 Å²	142.9	76%	0.757	74%	0.742	S	S	*	*			trans	-80.8	117.2	133.5	-82.9	-32.7	0	0	0	115.8
531	Y	26.9	Very low	28.4	Very low	218 Å²	218	143.1 Å²	143.1	86%	0.855	75%	0.745	S	S	*	*			trans	-38.7	130.8	141	-97.6	-83.5	0	0	0	118.5
532	L	28.5	Very low	28.1	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	74%	0.737	S	S	*	*			trans	16.9	108	158.3	-70.9	160	0	0	0	117.9
533	N	28.2	Very low	28	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	74%	0.74	S	S	*	*			trans	138.2	145.2	132.5	-99.4	-19.2	0	0	0	118.9
534	T	27	Very low	27.8	Very low	131.5 Å²	131.5	139.9 Å²	139.9	81%	0.807	74%	0.742	S	S	*	*			trans	10.1	164.4	179	55.4	0	0	0	0	118.4
535	P	30.1	Very low	27.7	Very low	103 Å²	103	133.8 Å²	133.8	67%	0.669	73%	0.731	S	S	*	*			trans	-124.5	-173.5	-131.2	38	-20.5	0	0	0	116.6
536	Y	23.9	Very low	27.5	Very low	203 Å²	203	136.9 Å²	136.9	80%	0.796	74%	0.737	S	S	*	*			trans	78.6	127.9	165.5	-78.4	-82.1	0	0	0	118.1
537	D	28.7	Very low	27.5	Very low	149 Å²	149	132.4 Å²	132.4	80%	0.797	73%	0.729	S	S	*	*				-155.5	148.3	58.6	-122.5	-22.8	0	0	0	114.4
538	L	27	Very low	27.5	Very low	126 Å²	126	137 Å²	137	66%	0.66	74%	0.741	S	S	*	*			trans	-15.9	115.1	171.4	-143.7	74.1	0	0	0	119
539	H	31.5	Very low	27.3	Very low	169.5 Å²	169.5	139.1 Å²	139.1	79%	0.785	76%	0.756	S	S	*	*			trans	-5.9	114.3	149	-105.7	-45.5	0	0	0	119
540	N	26.6	Very low	27.2	Very low	122 Å²	122	141.5 Å²	141.5	65%	0.652	76%	0.763	S	S	*	*			trans	-3	155.8	153.4	-70.9	-22.1	0	0	0	116.7
541	N	27.2	Very low	27	Very low	145.5 Å²	145.5	143.5 Å²	143.5	78%	0.778	77%	0.767	S	S	*	*				138	144.5	86.6	-119.3	1	0	0	0	115.9
542	S	25.8	Very low	27	Very low	80 Å²	80	137.9 Å²	137.9	56%	0.559	76%	0.76	S	S	*	*				95.8	128.4	66.6	54.3	0	0	0	0	113.4
543	N	29.1	Very low	27	Very low	167.5 Å²	167.5	137.7 Å²	137.7	90%	0.896	76%	0.76	S	S	*	*			trans	-167.2	114.9	130.2	-96.1	-20.3	0	0	0	110
544	S	25.3	Very low	27	Very low	110.5 Å²	110.5	138.8 Å²	138.8	77%	0.773	76%	0.76	S	S	*	*			trans	-93.4	156.5	168.6	62.7	0	0	0	0	109.2
545	S	26.6	Very low	27.1	Very low	93 Å²	93	139.4 Å²	139.4	65%	0.65	76%	0.758	S	S	*	*				-173.3	146.1	69.1	27.3	0	0	0	0	109.5
546	Q	25.9	Very low	26.9	Very low	192.5 Å²	192.5	141.6 Å²	141.6	90%	0.9	76%	0.763	S	S	*	*			trans	70.4	122.3	162	-73.2	157.1	-33.8	0	0	117.8
547	G	25.5	Very low	27	Very low	60.5 Å²	60.5	139.1 Å²	139.1	62%	0.624	76%	0.762	S	S	*	*			cis	117.8	133.6	47.9	0	0	0	0	0	114.9
548	H	27	Very low	26.9	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.856	76%	0.762	S	S	*	*			trans	125.4	130.7	137.4	-73.9	-68.8	0	0	0	112.3	I550	H548-I550 PolarHBondContact O-N 2.84Å
549	S	23.6	Very low	26.7	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	77%	0.766	S	S	*	*				15.8	133	107.6	-55	0	0	0	0	112.3
550	I	26.4	Very low	26.3	Very low	158 Å²	158	136.1 Å²	136.1	81%	0.81	77%	0.765	S	S	*	*			trans	-177.3	106.1	167	-58.3	168.2	0	0	0	110.3	H548	H548-I550 PolarHBondContact O-N 2.84Å
551	E	25.6	Very low	26.3	Very low	182.5 Å²	182.5	139.7 Å²	139.7	85%	0.853	77%	0.771	S	S	*	*			trans	-58.6	116.7	157.6	-103.4	159.9	165.7	0	0	113.5
552	S	27.1	Very low	26.2	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	77%	0.769	S	S	*	*			trans	-124.2	147.4	133.7	50.2	0	0	0	0	110.4
553	N	28.3	Very low	26.3	Very low	149.5 Å²	149.5	141.6 Å²	141.6	80%	0.799	77%	0.771	S	S	*	*			trans	-127.7	130.9	150.6	-68.3	-29	0	0	0	110.7
554	H	29.3	Very low	26.1	Very low	173.5 Å²	173.5	139.8 Å²	139.8	80%	0.803	76%	0.761	S	S	*	*			trans	-119.7	143.8	134.4	-87.1	-31.4	0	0	0	111.1
555	D	28.3	Very low	26	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	76%	0.763	S	S	*	*			trans	-102	122.8	164.4	-59.8	-69.1	0	0	0	109.6	I557	D555-I557 PolarHBondContact O-N 3.33Å
556	I	26.2	Very low	26	Very low	149.5 Å²	149.5	145.6 Å²	145.6	77%	0.767	77%	0.771	S	S	*	*			trans	-129	117.7	159.9	-83.1	160.4	0	0	0	108.5
557	I	25.3	Very low	26	Very low	150.5 Å²	150.5	143.9 Å²	143.9	77%	0.772	76%	0.763	S	S	*	*			trans	-32.8	104.4	156.5	-53.2	174.2	0	0	0	112.2	D555 S559	D555-I557 PolarHBondContact O-N 3.33Å; I557-S559 PolarHBondContact O-N 3.37Å; I557-S559 VanDerWaalsContact O-N 3.16Å
558	T	26.6	Very low	26	Very low	131.5 Å²	131.5	146.1 Å²	146.1	81%	0.807	77%	0.769	S	S	*	*			trans	-109.2	112.8	141.1	20.2	0	0	0	0	110.8	N560	T558-N560 PolarHBondContact O-N 3.45Å
559	S	22.7	Very low	25.9	Very low	105.5 Å²	105.5	146.1 Å²	146.1	74%	0.738	77%	0.767	S	S	*	*			trans	-80.5	136.8	163	49.8	0	0	0	0	109.4	I557	I557-S559 PolarHBondContact O-N 3.37Å; I557-S559 VanDerWaalsContact O-N 3.16Å
560	N	24.6	Very low	25.9	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	77%	0.765	S	S	*	*			trans	-4.2	123.8	173.2	-108.6	-0.8	0	0	0	113.1	T558 N562	T558-N560 PolarHBondContact O-N 3.45Å; N560-N562 PolarHBondContact O-N 2.88Å
561	Y	25.8	Very low	25.7	Very low	196.5 Å²	196.5	148.5 Å²	148.5	77%	0.771	76%	0.764	S	S	*	*			trans	-12.9	124.2	150.1	-72.3	-95.2	0	0	0	113.5	E563	Y561-E563 HydrophobicContact CD1-CG 4.39Å
562	N	25.8	Very low	25.6	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	76%	0.761	S	S	*	*				-138.7	126.3	112.8	-104.6	-1.2	0	0	0	111.3	N560	N560-N562 PolarHBondContact O-N 2.88Å
563	E	26.6	Very low	25.4	Very low	129.5 Å²	129.5	152.2 Å²	152.2	61%	0.605	77%	0.768	S	S	*	*			trans	-29.2	142.3	147.1	-58.9	177.3	145.1	0	0	113.1	Y561	Y561-E563 HydrophobicContact CD1-CG 4.39Å
564	N	24.9	Very low	25.2	Very low	129 Å²	129	151.1 Å²	151.1	69%	0.69	76%	0.761	S	S	*	*				140	128.6	127.2	-85.6	-47.1	0	0	0	116
565	M	24.8	Very low	24.9	Very low	167 Å²	167	149.2 Å²	149.2	82%	0.823	76%	0.756	S	S	*	*			trans	-76.3	112.5	133.5	-61.5	-173.2	-160.1	0	0	112	E567	M565-E567 PolarHBondContact O-N 2.55Å
566	I	25.8	Very low	24.8	Very low	158.5 Å²	158.5	150.3 Å²	150.3	81%	0.813	76%	0.756	S	S	*	*				-112.7	119	126.1	-83.6	166.3	0	0	0	108.3	S568	I566-S568 PolarHBondContact O-N 2.66Å
567	E	25.1	Very low	24.8	Very low	157 Å²	157	151.4 Å²	151.4	73%	0.734	76%	0.756	S	S	*	*			trans	-55.4	130.8	170	-68.4	161	136.5	0	0	110.4	M565 F569	M565-E567 PolarHBondContact O-N 2.55Å; E567-F569 PolarHBondContact O-N 3.42Å
568	S	26.2	Very low	24.9	Very low	107 Å²	107	150.5 Å²	150.5	75%	0.748	75%	0.752	S	S	*	*			trans	-114.7	109.6	151.3	-61.3	0	0	0	0	112.6	I566 N570	I566-S568 PolarHBondContact O-N 2.66Å; S568-N570 PolarHBondContact O-N 3.16Å
569	F	24.1	Very low	25	Very low	183.5 Å²	183.5	154.5 Å²	154.5	81%	0.805	75%	0.754	S	S	*	*			trans	-46.1	117.1	149	-75.8	-96.5	0	0	0	111.7	E567 F571	E567-F569 PolarHBondContact O-N 3.42Å; F569-F571 PolarHBondContact O-N 3.25Å
570	N	24	Very low	25.3	Very low	137.5 Å²	137.5	157.4 Å²	157.4	74%	0.735	76%	0.756	S	S	*	*			trans	-122	112.4	139	-80.2	-43	0	0	0	112.1	S568 Y572	S568-N570 PolarHBondContact O-N 3.16Å; N570-Y572 PolarHBondContact O-N 3.24Å
571	F	23.7	Very low	25.5	Very low	182.5 Å²	182.5	157.2 Å²	157.2	80%	0.8	75%	0.754	S	S	*	*			trans	-8.7	118.7	152.9	-83.4	-98.4	0	0	0	115.5	F569 L573	F569-F571 PolarHBondContact O-N 3.25Å; F571-L573 PolarHBondContact O-N 3.49Å
572	Y	22.7	Very low	25.9	Very low	199.5 Å²	199.5	154.5 Å²	154.5	78%	0.782	75%	0.753	S	S	*	*			trans	-15.7	124.4	140.9	-79.7	-93	0	0	0	114.6	N570 I574	N570-Y572 PolarHBondContact O-N 3.24Å; Y572-I574 HydrophobicContact CD1-CD1 3.75Å; Y572-I574 HydrophobicContact CD1-CG1 4.34Å; Y572-I574 HydrophobicContact CE1-CD1 4.07Å; Y572-I574 PolarHBondContact O-N 3.06Å
573	L	22.6	Very low	26.3	Very low	161 Å²	161	154.8 Å²	154.8	84%	0.843	75%	0.75	S	S	*	*			trans	-111.6	117	148.5	-132.7	72.7	0	0	0	108.2	F571 N575	F571-L573 PolarHBondContact O-N 3.49Å; L573-N575 PolarHBondContact O-N 2.91Å
574	I	24.5	Very low	26.8	Very low	127.5 Å²	127.5	154 Å²	154	65%	0.654	75%	0.75	S	S	*	*				-3.5	100.9	101.5	-58.3	-178.8	0	0	0	110.3	Y572 H576	Y572-I574 HydrophobicContact CD1-CD1 3.75Å; Y572-I574 HydrophobicContact CD1-CG1 4.34Å; Y572-I574 HydrophobicContact CE1-CD1 4.07Å; Y572-I574 PolarHBondContact O-N 3.06Å; I574-H576 PolarHBondContact O-N 3.45Å
575	N	23.4	Very low	27.3	Very low	133 Å²	133	154.9 Å²	154.9	71%	0.711	75%	0.754	S	S	*	*			trans	7.9	133.7	162.2	-72.6	-29.4	0	0	0	116.6	L573 K577	L573-N575 PolarHBondContact O-N 2.91Å; N575-K577 PolarHBondContact O-N 2.76Å
576	H	24.8	Very low	27.7	Very low	168 Å²	168	155.8 Å²	155.8	78%	0.778	75%	0.754	S	S	*	*			trans	-3.5	108.8	164.2	-70.4	-78.8	0	0	0	112.1	I574	I574-H576 PolarHBondContact O-N 3.45Å
577	K	26.8	Very low	28.1	Very low	172.5 Å²	172.5	155.4 Å²	155.4	75%	0.75	75%	0.746	S	S	*	*				161.3	125.5	110.9	-80.7	-161.2	173.9	-170.5	0	111.6	N575	N575-K577 PolarHBondContact O-N 2.76Å
578	D	27.8	Very low	28.6	Very low	131 Å²	131	153.7 Å²	153.7	70%	0.701	74%	0.741	S	S	*	*			trans	64.1	96.7	154.3	-42.3	-36.2	0	0	0	114.1	Q580	D578-Q580 PolarHBondContact O-N 3.16Å
579	Y	27.9	Very low	28.6	Very low	215.5 Å²	215.5	158.4 Å²	158.4	85%	0.845	74%	0.743	S	S	*	*				-109.6	137.1	94.1	-83.3	-92.2	0	0	0	108.4	L581	Y579-L581 PolarHBondContact O-N 2.85Å
580	Q	29.8	Very low	29	Very low	168 Å²	168	156.7 Å²	156.7	79%	0.785	74%	0.738	S	S	*	*				-117.8	121.9	-108.7	-175.7	168.8	45.1	0	0	107	D578 D582	D578-Q580 PolarHBondContact O-N 3.16Å; Q580-D582 PolarHBondContact O-N 2.81Å
581	L	28.7	Very low	29.3	Very low	140 Å²	140	156.6 Å²	156.6	73%	0.733	74%	0.738	S	S	*	*			trans	-8.2	115.4	169.4	-79.3	146.5	0	0	0	113.8	Y579 E583	Y579-L581 PolarHBondContact O-N 2.85Å; L581-E583 HydrophobicContact CD2-CB 4.21Å; L581-E583 HydrophobicContact CD2-CG 4.34Å; L581-E583 WeakPolarHBondContact CD2-OE2 3.47Å; L581-E583 PolarHBondContact O-N 3.48Å
582	D	34.2	Very low	29.6	Very low	139 Å²	139	154.4 Å²	154.4	74%	0.743	73%	0.733	S	S	*	*			trans	-98.8	125.2	145.7	-147.6	-12.5	0	0	0	108.9	Q580 D584 L585	Q580-D582 PolarHBondContact O-N 2.81Å; D582-D584 PolarHBondContact O-N 3.37Å; D582-L585 PolarHBondContact O-N 2.93Å
583	E	33.7	Very low	29.9	Very low	144 Å²	144	152.1 Å²	152.1	67%	0.673	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	3.4	-165.3	-114.9	-167.2	166.5	0	0	113.5	L581 L585 F586	L581-E583 HydrophobicContact CD2-CB 4.21Å; L581-E583 HydrophobicContact CD2-CG 4.34Å; L581-E583 WeakPolarHBondContact CD2-OE2 3.47Å; L581-E583 PolarHBondContact O-N 3.48Å; E583-L585 VanDerWaalsContact C-N 3.27Å; E583-L585 PolarHBondContact O-N 2.96Å; E583-F586 PolarHBondContact O-N 2.87Å
584	D	37.2	Very low	30.2	Very low	112 Å²	112	152.8 Å²	152.8	60%	0.599	73%	0.729	S	S	*	*	H	α-helix	trans	-87.6	-11.3	-169.5	-90.2	-7.8	0	0	0	114.9	D582 F586 K587 I588	D582-D584 PolarHBondContact O-N 3.37Å; D584-F586 VanDerWaalsContact C-N 3.29Å; D584-F586 PolarHBondContact O-N 2.9Å; D584-K587 PolarHBondContact O-N 3.03Å; D584-I588 WeakPolarHBondContact O-CG1 3.45Å; D584-I588 PolarHBondContact O-N 2.76Å
585	L	36.1	Very low	30.3	Very low	149 Å²	149	152 Å²	152	78%	0.78	73%	0.734	S	S	*	*	H	α-helix	trans	-91.5	-1.4	176.1	-151.8	72.8	0	0	0	113.7	D582 E583 Y589	D582-L585 PolarHBondContact O-N 2.93Å; E583-L585 VanDerWaalsContact C-N 3.27Å; E583-L585 PolarHBondContact O-N 2.96Å; L585-Y589 PolarHBondContact O-N 3.3Å
586	F	32.4	Very low	30.4	Very low	185.5 Å²	185.5	150.4 Å²	150.4	81%	0.814	73%	0.734	S	S	*	*	H	α-helix	trans	-97.8	-4.1	175	-144.9	-94	0	0	0	112.9	E583 D584 Y589 Q590	E583-F586 PolarHBondContact O-N 2.87Å; D584-F586 VanDerWaalsContact C-N 3.29Å; D584-F586 PolarHBondContact O-N 2.9Å; F586-Y589 PolarHBondContact O-N 3.06Å; F586-Q590 PolarHBondContact O-N 3.38Å
587	K	34.7	Very low	30.4	Very low	150 Å²	150	149.5 Å²	149.5	65%	0.652	73%	0.734	S	S	*	*	H	α-helix	trans	-99.8	-13.2	178.9	-78.6	178.3	-177	153	0	114.4	D584 Y589	D584-K587 PolarHBondContact O-N 3.03Å; K587-Y589 VanDerWaalsContact C-N 3.32Å
588	I	34.9	Very low	30.5	Very low	121.5 Å²	121.5	150.4 Å²	150.4	62%	0.623	74%	0.738	S	S	*	*	H	α-helix	trans	-99.7	20.9	176.8	-57.1	175.4	0	0	0	110.7	D584 L592	D584-I588 WeakPolarHBondContact O-CG1 3.45Å; D584-I588 PolarHBondContact O-N 2.76Å; I588-L592 HydrophobicContact CG2-CD1 4.28Å
589	Y	27.7	Very low	30.5	Very low	205 Å²	205	152.4 Å²	152.4	80%	0.804	74%	0.743	S	S	*	*	H	α-helix	trans	-122.9	2.8	159.5	-124.7	-82.5	0	0	0	113.2	L585 F586 K587	L585-Y589 PolarHBondContact O-N 3.3Å; F586-Y589 PolarHBondContact O-N 3.06Å; K587-Y589 VanDerWaalsContact C-N 3.32Å
590	Q	31	Very low	30.3	Very low	148.5 Å²	148.5	148.4 Å²	148.4	69%	0.694	74%	0.741	S	S	*	*	H	α-helix	trans	-111.3	17.9	175.6	-92.8	-80.1	39.1	0	0	110.9	F586 L592 Q593	F586-Q590 PolarHBondContact O-N 3.38Å; Q590-L592 VanDerWaalsContact C-N 3.3Å; Q590-L592 PolarHBondContact O-N 3.4Å; Q590-Q593 PolarHBondContact O-N 3.15Å
591	N	30.3	Very low	30.1	Very low	136.5 Å²	136.5	145.2 Å²	145.2	73%	0.73	74%	0.738	S	S	*	*	H	α-helix	trans	-126.5	71.6	172.2	-91.5	-46.5	0	0	0	112.7	Q593	N591-Q593 VanDerWaalsContact C-N 3.31Å
592	L	30.7	Very low	29.9	Very low	135 Å²	135	145.3 Å²	145.3	71%	0.707	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-5.9	41.3	177	-74.7	143.2	0	0	0	114.1	I588 Q590	I588-L592 HydrophobicContact CG2-CD1 4.28Å; Q590-L592 VanDerWaalsContact C-N 3.3Å; Q590-L592 PolarHBondContact O-N 3.4Å
593	Q	29.6	Very low	29.6	Very low	152 Å²	152	147.3 Å²	147.3	71%	0.71	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn		-9.8	50.8	124.4	-71.8	-147.5	-35.2	0	0	114.3	Q590 N591	Q590-Q593 PolarHBondContact O-N 3.15Å; N591-Q593 VanDerWaalsContact C-N 3.31Å
594	Q	27.5	Very low	29.2	Very low	174.5 Å²	174.5	148.4 Å²	148.4	82%	0.815	75%	0.753	S	S	*	*	S	Bend	trans	166.4	44	135.8	-78.9	-174	-8.9	0	0	116.1
595	S	27.1	Very low	28.6	Very low	111 Å²	111	147.8 Å²	147.8	78%	0.776	76%	0.758	S	S	*	*			trans	-137.4	73.7	165	54.8	0	0	0	0	112.7
596	S	26.2	Very low	28.2	Very low	100.5 Å²	100.5	148.1 Å²	148.1	70%	0.703	76%	0.757	S	S	*	*				-135.3	86.8	-92.8	53	0	0	0	0	111.9
597	L	24.3	Very low	28	Very low	148 Å²	148	146 Å²	146	78%	0.775	76%	0.755	S	S	*	*			trans	126.7	95.1	135	-121.2	148.7	0	0	0	113.3	Q599	L597-Q599 HydrophobicContact CD2-CG 4.04Å
598	K	29.4	Very low	27.7	Very low	192 Å²	192	147.2 Å²	147.2	84%	0.835	76%	0.762	S	S	*	*				-173.4	102	128.1	-99.2	166.8	-173.9	178.1	0	111.6
599	Q	26.3	Very low	27.3	Very low	172.5 Å²	172.5	148 Å²	148	81%	0.806	77%	0.773	S	S	*	*				142.7	108.6	121.5	-76.1	-173.8	-12.7	0	0	111.3	L597	L597-Q599 HydrophobicContact CD2-CG 4.04Å
600	T	25.3	Very low	27.4	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	77%	0.768	S	S	*	*				-148.1	140.1	90	49.7	0	0	0	0	110.2
601	S	24.2	Very low	27.1	Very low	102.333 Å²	102.333	141.8 Å²	141.8	72%	0.716	77%	0.774	S	S	*	*				-143.1	120.7	111.9	-143.4	0	0	0	0	111.7
602	N	25.6	Very low	26.9	Very low	142.333 Å²	142.333	142.8 Å²	142.8	76%	0.761	78%	0.778	S	S	*	*			trans	84.5	117	144.6	-69.1	-28	0	0	0	115.9
603	Q	28.6	Very low	26.7	Very low	180.333 Å²	180.333	143.1 Å²	143.1	84%	0.843	78%	0.778	S	S	*	*				-173.9	113.7	101.9	-106.8	171.5	19.7	0	0	110.8	S605	Q603-S605 PolarHBondContact O-N 3.44Å
604	L	25	Very low	26.6	Very low	166 Å²	166	140.8 Å²	140.8	87%	0.869	78%	0.776	S	S	*	*			trans	-50	132.6	159.6	-72.8	159.7	0	0	0	112.7
605	S	24.6	Very low	26.4	Very low	100.667 Å²	100.667	140.7 Å²	140.7	70%	0.704	78%	0.776	S	S	*	*			trans	-168.1	125.9	142.1	176.5	0	0	0	0	113.6	Q603 D607	Q603-S605 PolarHBondContact O-N 3.44Å; S605-D607 PolarHBondContact O-N 3.11Å
606	M	26.2	Very low	26.3	Very low	155 Å²	155	145.5 Å²	145.5	76%	0.764	78%	0.778	S	S	*	*			trans	102.6	112.4	144.9	-73.5	-76.6	-162.5	0	0	115.4	Q608	M606-Q608 PolarHBondContact O-N 3.08Å
607	D	28.2	Very low	26.3	Very low	141.667 Å²	141.667	147.5 Å²	147.5	76%	0.758	78%	0.781	S	S	*	*			trans	-97.4	110.1	141.5	-78.4	-21.3	0	0	0	114.8	S605 V609	S605-D607 PolarHBondContact O-N 3.11Å; D607-V609 PolarHBondContact O-N 2.74Å
608	Q	28.5	Very low	26.3	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	78%	0.78	S	S	*	*			trans	-108	99.8	150.4	-78	-179.6	-4	0	0	114.1	M606 G610	M606-Q608 PolarHBondContact O-N 3.08Å; Q608-G610 PolarHBondContact O-N 3.31Å
609	V	28.1	Very low	26	Very low	140 Å²	140	140.8 Å²	140.8	85%	0.848	77%	0.771	S	S	*	*			trans	-77	114.5	145.5	179.8	0	0	0	0	112.1	D607	D607-V609 PolarHBondContact O-N 2.74Å
610	G	28.2	Very low	26.1	Very low	68.3333 Å²	68.3333	138.8 Å²	138.8	70%	0.704	77%	0.766	S	S	*	*			trans	-108.6	108.2	177.3	0	0	0	0	0	114.1	Q608 I612	Q608-G610 PolarHBondContact O-N 3.31Å; G610-I612 PolarHBondContact O-N 2.71Å
611	L	25.6	Very low	26.2	Very low	155 Å²	155	139.7 Å²	139.7	81%	0.812	76%	0.761	S	S	*	*			trans	-27.6	132	141.9	-91.3	132.6	0	0	0	113.5	I613	L611-I613 HydrophobicContact CB-CG1 4.39Å; L611-I613 HydrophobicContact CD2-CD1 3.42Å; L611-I613 VanDerWaalsContact CD2-CD1 3.42Å; L611-I613 HydrophobicContact CD2-CG1 3.66Å; L611-I613 PolarHBondContact O-N 2.79Å
612	I	25.4	Very low	26.3	Very low	157.667 Å²	157.667	144.7 Å²	144.7	81%	0.809	77%	0.766	S	S	*	*			trans	-85.3	101.6	158.9	-60.1	166.8	0	0	0	111.1	G610 P614	G610-I612 PolarHBondContact O-N 2.71Å; I612-P614 WeakPolarHBondContact O-CD 3.22Å
613	I	26	Very low	26.3	Very low	141 Å²	141	144.6 Å²	144.6	72%	0.723	77%	0.765	S	S	*	*			trans	-88.7	135.9	154.8	-38.3	174.8	0	0	0	108.5	L611 Q615	L611-I613 HydrophobicContact CB-CG1 4.39Å; L611-I613 HydrophobicContact CD2-CD1 3.42Å; L611-I613 VanDerWaalsContact CD2-CD1 3.42Å; L611-I613 HydrophobicContact CD2-CG1 3.66Å; L611-I613 PolarHBondContact O-N 2.79Å; I613-Q615 PolarHBondContact O-N 3.12Å
614	P	27.8	Very low	26.4	Very low	102 Å²	102	144.7 Å²	144.7	66%	0.662	77%	0.766	S	S	*	*			trans	-92.9	143.7	170.8	5.5	12.5	0	0	0	112.1	I612 Y616	I612-P614 WeakPolarHBondContact O-CD 3.22Å; P614-Y616 HydrophobicContact CB-CD2 4.46Å; P614-Y616 HydrophobicContact CB-CE2 4.24Å; P614-Y616 PolarHBondContact O-N 2.99Å
615	Q	24.2	Very low	26.6	Very low	172.333 Å²	172.333	143.6 Å²	143.6	81%	0.805	76%	0.76	S	S	*	*			trans	-77.7	120.1	158.8	-68.7	-169.4	-19.7	0	0	114.2	I613	I613-Q615 PolarHBondContact O-N 3.12Å
616	Y	25.3	Very low	26.8	Very low	212.667 Å²	212.667	145.6 Å²	145.6	83%	0.834	76%	0.762	S	S	*	*			trans	-68.1	138.6	154.9	-84.1	-93.9	0	0	0	115	P614	P614-Y616 HydrophobicContact CB-CD2 4.46Å; P614-Y616 HydrophobicContact CB-CE2 4.24Å; P614-Y616 PolarHBondContact O-N 2.99Å
617	N	25.1	Very low	27.1	Very low	142.333 Å²	142.333	145 Å²	145	76%	0.761	76%	0.762	S	S	*	*			trans	-33.8	129.8	175.3	-70.3	-32.8	0	0	0	116.9
618	S	24.4	Very low	27	Very low	106.667 Å²	106.667	146.1 Å²	146.1	75%	0.746	76%	0.762	S	S	*	*			trans	58.1	128	142.5	66.2	0	0	0	0	115.4
619	S	24.4	Very low	27.1	Very low	92.3333 Å²	92.3333	145.7 Å²	145.7	65%	0.646	76%	0.76	S	S	*	*				101.1	127.5	126.3	53.5	0	0	0	0	114.7
620	N	27.5	Very low	27.1	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	76%	0.758	S	S	*	*			trans	92.4	111.5	157.3	-58.4	10.1	0	0	0	113.9
621	E	26.7	Very low	27.3	Very low	149 Å²	149	151.2 Å²	151.2	70%	0.696	77%	0.768	S	S	*	*				107.6	129.3	68.9	-96.6	174.6	163.8	0	0	109.5
622	Y	27.5	Very low	27.2	Very low	207.333 Å²	207.333	151 Å²	151	81%	0.813	77%	0.766	S	S	*	*				163.8	121.4	126.3	-90.5	-79.4	0	0	0	111.7
623	N	24.6	Very low	27.2	Very low	139.667 Å²	139.667	150.1 Å²	150.1	75%	0.747	76%	0.763	S	S	*	*			trans	-78.8	141.1	142.5	-74.5	-25.2	0	0	0	110.3
624	E	31.8	Very low	27.3	Very low	183.333 Å²	183.333	148.7 Å²	148.7	86%	0.857	76%	0.762	S	S	*	*			trans	-161	117.2	156.2	-84.9	177.8	-172.4	0	0	109.7	I626	E624-I626 PolarHBondContact O-N 2.94Å
625	D	29.2	Very low	27.2	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	77%	0.765	S	S	*	*				-72.6	128.9	75.3	-83	-40.2	0	0	0	110.9	D627	D625-D627 PolarHBondContact O-N 2.73Å; D625-D627 VanDerWaalsContact O-N 3.08Å
626	I	28.5	Very low	27.3	Very low	142.333 Å²	142.333	149 Å²	149	73%	0.73	76%	0.763	S	S	*	*			trans	-102.1	121	157.1	-74.8	163.3	0	0	0	109.2	E624 H628	E624-I626 PolarHBondContact O-N 2.94Å; I626-H628 WeakPolarHBondContact CG2-CD2 3.05Å; I626-H628 VanDerWaalsContact CG2-NE2 3.34Å; I626-H628 WeakPolarHBondContact CG2-NE2 3.38Å; I626-H628 PolarHBondContact O-N 3.05Å
627	D	31.5	Very low	27.3	Very low	144 Å²	144	149.2 Å²	149.2	77%	0.77	76%	0.762	S	S	*	*			trans	-83.2	106.5	160.9	-113.4	-10.6	0	0	0	114.8	D625 Q629	D625-D627 PolarHBondContact O-N 2.73Å; D625-D627 VanDerWaalsContact O-N 3.08Å; D627-Q629 VanDerWaalsContact C-N 3.27Å; D627-Q629 PolarHBondContact O-N 3.38Å
628	H	27.2	Very low	27.5	Very low	163.333 Å²	163.333	150.4 Å²	150.4	76%	0.756	76%	0.763	S	S	*	*			trans	-77.9	116.4	166.9	-67.6	-79.2	0	0	0	110.6	I626	I626-H628 WeakPolarHBondContact CG2-CD2 3.05Å; I626-H628 VanDerWaalsContact CG2-NE2 3.34Å; I626-H628 WeakPolarHBondContact CG2-NE2 3.38Å; I626-H628 PolarHBondContact O-N 3.05Å
629	Q	30.9	Very low	27.6	Very low	166.667 Å²	166.667	152 Å²	152	78%	0.779	76%	0.763	S	S	*	*			trans	-148.7	102.2	152.6	-93.2	164.6	63.8	0	0	109.7	D627 L631	D627-Q629 VanDerWaalsContact C-N 3.27Å; D627-Q629 PolarHBondContact O-N 3.38Å; Q629-L631 PolarHBondContact O-N 2.92Å
630	N	27.8	Very low	27.9	Very low	148.333 Å²	148.333	155.9 Å²	155.9	79%	0.793	77%	0.769	S	S	*	*				42.2	96.1	102.8	-75.6	-26.9	0	0	0	115.5
631	L	31.5	Very low	27.8	Very low	175 Å²	175	154.6 Å²	154.6	92%	0.916	77%	0.77	S	S	*	*			trans	-147.8	108.3	141.2	-105.6	149.9	0	0	0	109.9	Q629	Q629-L631 PolarHBondContact O-N 2.92Å
632	L	24.9	Very low	27.8	Very low	150.333 Å²	150.333	157.2 Å²	157.2	79%	0.787	78%	0.775	S	S	*	*			trans	-105.3	137.3	173.7	-112.2	148.2	0	0	0	107.9
633	L	25.7	Very low	27.8	Very low	140.333 Å²	140.333	154.8 Å²	154.8	74%	0.735	77%	0.77	S	S	*	*			trans	98.3	146.7	159.9	-86.6	116.4	0	0	0	114.2	I635	L633-I635 HydrophobicContact CD2-CD1 3.83Å; L633-I635 HydrophobicContact CD2-CG1 3.87Å; L633-I635 PolarHBondContact O-N 3.14Å
634	P	28	Very low	27.9	Very low	109.667 Å²	109.667	155 Å²	155	71%	0.712	77%	0.771	S	S	*	*				-115.4	154.5	-50.9	38.6	-27.7	0	0	0	113.8	N636	P634-N636 PolarHBondContact O-N 3.25Å
635	I	24.6	Very low	27.6	Very low	139.333 Å²	139.333	153.6 Å²	153.6	72%	0.715	76%	0.764	S	S	*	*			trans	-51.3	126.3	161.6	-63.2	160.5	0	0	0	112.6	L633 W637	L633-I635 HydrophobicContact CD2-CD1 3.83Å; L633-I635 HydrophobicContact CD2-CG1 3.87Å; L633-I635 PolarHBondContact O-N 3.14Å; I635-W637 HydrophobicContact CG2-CD2 4.03Å; I635-W637 HydrophobicContact CG2-CG 3.92Å
636	N	26.8	Very low	27.5	Very low	142 Å²	142	154.6 Å²	154.6	76%	0.759	77%	0.766	S	S	*	*			trans	-118.8	136.8	149.2	-154.5	6.3	0	0	0	111.2	P634 E638	P634-N636 PolarHBondContact O-N 3.25Å; N636-E638 PolarHBondContact ND2-OE1 3.12Å; N636-E638 PolarHBondContact O-N 2.89Å
637	W	23.9	Very low	27.3	Very low	217.333 Å²	217.333	153.2 Å²	153.2	82%	0.823	76%	0.761	S	S	*	*			trans	-104.9	111.6	-174.3	-136.7	-75.9	0	0	0	110.3	I635 N639	I635-W637 HydrophobicContact CG2-CD2 4.03Å; I635-W637 HydrophobicContact CG2-CG 3.92Å; W637-N639 PolarHBondContact NE1-OD1 3.26Å
638	E	29.6	Very low	27	Very low	168 Å²	168	153.6 Å²	153.6	79%	0.785	76%	0.763	S	S	*	*			trans	-123.9	107.2	162.6	-83.9	170.6	-167	0	0	109.6	N636 K640	N636-E638 PolarHBondContact ND2-OE1 3.12Å; N636-E638 PolarHBondContact O-N 2.89Å; E638-K640 PolarHBondContact O-N 3.15Å
639	N	26.7	Very low	27	Very low	138.667 Å²	138.667	153.8 Å²	153.8	74%	0.742	76%	0.764	S	S	*	*				18.6	104.6	126.2	-70.2	-30.3	0	0	0	113.6	W637	W637-N639 PolarHBondContact NE1-OD1 3.26Å
640	K	30.6	Very low	26.9	Very low	175.333 Å²	175.333	152.9 Å²	152.9	76%	0.762	76%	0.763	S	S	*	*				-133.3	111.3	128.7	-79	178.6	-177	169.5	0	110	E638 Y642	E638-K640 PolarHBondContact O-N 3.15Å; K640-Y642 HydrophobicContact CB-CD2 4.19Å; K640-Y642 HydrophobicContact CB-CE2 3.92Å; K640-Y642 HydrophobicContact CD-CE2 4.32Å; K640-Y642 PolarHBondContact O-N 2.98Å
641	S	26.1	Very low	26.8	Very low	104 Å²	104	155.8 Å²	155.8	73%	0.727	76%	0.763	S	S	*	*			trans	-89.8	118.2	168	-179.3	0	0	0	0	109.1	H643	S641-H643 VanDerWaalsContact C-N 3.26Å; S641-H643 PolarHBondContact O-N 3.02Å; S641-H643 VanDerWaalsContact O-N 3.12Å; S641-H643 WeakPolarHBondContact OG-CB 3.46Å; S641-H643 PolarHBondContact OG-N 3.09Å; S641-H643 VanDerWaalsContact OG-N 3.1Å
642	Y	26.4	Very low	26.5	Very low	205 Å²	205	158.5 Å²	158.5	80%	0.804	76%	0.761	S	S	*	*			trans	-93.5	83.6	162.7	-78.7	-77.4	0	0	0	109	K640 L644	K640-Y642 HydrophobicContact CB-CD2 4.19Å; K640-Y642 HydrophobicContact CB-CE2 3.92Å; K640-Y642 HydrophobicContact CD-CE2 4.32Å; K640-Y642 PolarHBondContact O-N 2.98Å; Y642-L644 PolarHBondContact O-N 2.95Å
643	H	26.6	Very low	26.6	Very low	155.333 Å²	155.333	159.1 Å²	159.1	72%	0.719	76%	0.759	S	S	*	*			trans	-73.1	85.5	166.4	-151.3	-71.4	0	0	0	108.8	S641 Q645	S641-H643 VanDerWaalsContact C-N 3.26Å; S641-H643 PolarHBondContact O-N 3.02Å; S641-H643 VanDerWaalsContact O-N 3.12Å; S641-H643 WeakPolarHBondContact OG-CB 3.46Å; S641-H643 PolarHBondContact OG-N 3.09Å; S641-H643 VanDerWaalsContact OG-N 3.1Å; H643-Q645 PolarHBondContact O-N 3.05Å
644	L	26.7	Very low	26.6	Very low	145.667 Å²	145.667	157.6 Å²	157.6	76%	0.763	76%	0.761	S	S	*	*			trans	-80.8	78.6	172.8	-105.5	163.3	0	0	0	109.1	Y642 M646	Y642-L644 PolarHBondContact O-N 2.95Å; L644-M646 HydrophobicContact CD2-CB 4.45Å; L644-M646 HydrophobicContact CD2-CG 3.94Å; L644-M646 PolarHBondContact O-N 3.16Å
645	Q	27.1	Very low	26.4	Very low	152 Å²	152	157.7 Å²	157.7	71%	0.71	76%	0.763	S	S	*	*			trans	-69.8	96.8	164.1	-160.5	173.5	10.5	0	0	107.7	H643 N647	H643-Q645 PolarHBondContact O-N 3.05Å; Q645-N647 PolarHBondContact O-N 3.21Å
646	M	26.2	Very low	26.6	Very low	163.333 Å²	163.333	156.4 Å²	156.4	81%	0.805	76%	0.763	S	S	*	*			trans	-81.8	103.5	165.4	-81.1	-74.8	-174.3	0	0	108.6	L644 N648	L644-M646 HydrophobicContact CD2-CB 4.45Å; L644-M646 HydrophobicContact CD2-CG 3.94Å; L644-M646 PolarHBondContact O-N 3.16Å; M646-N648 VanDerWaalsContact C-N 3.28Å; M646-N648 PolarHBondContact O-N 2.88Å
647	N	24.3	Very low	26.5	Very low	114.333 Å²	114.333	156.4 Å²	156.4	61%	0.611	76%	0.762	S	S	*	*			trans	-88.3	120	172.6	-127.7	-27.2	0	0	0	109.2	Q645 Q649	Q645-N647 PolarHBondContact O-N 3.21Å; N647-Q649 PolarHBondContact O-N 3.03Å
648	N	26.3	Very low	26.5	Very low	151.667 Å²	151.667	152.9 Å²	152.9	81%	0.811	76%	0.758	S	S	*	*			trans	-88	85.4	166	-84.8	-42.1	0	0	0	110.5	M646 I650	M646-N648 VanDerWaalsContact C-N 3.28Å; M646-N648 PolarHBondContact O-N 2.88Å; N648-I650 PolarHBondContact O-N 3.02Å
649	Q	26.9	Very low	26.2	Very low	166.667 Å²	166.667	150.3 Å²	150.3	78%	0.779	75%	0.753	S	S	*	*			trans	-75.2	100	157.4	-69.1	-179	0.1	0	0	107.6	N647 R651	N647-Q649 PolarHBondContact O-N 3.03Å; Q649-R651 PolarHBondContact O-N 3.24Å
650	I	27.7	Very low	26.2	Very low	148 Å²	148	150.8 Å²	150.8	76%	0.759	76%	0.756	S	S	*	*			trans	-101.5	112.5	151.6	-74.5	167.2	0	0	0	107.5	N648 R652	N648-I650 PolarHBondContact O-N 3.02Å; I650-R652 HydrophobicContact CG2-CG 4.46Å; I650-R652 PolarHBondContact O-N 3.23Å
651	R	25	Very low	26	Very low	209.333 Å²	209.333	147.4 Å²	147.4	79%	0.79	76%	0.755	S	S	*	*			trans	-35.1	114.1	168.5	-151.1	179.9	-98.9	-169.2	-2.8	111.6	Q649 Q653	Q649-R651 PolarHBondContact O-N 3.24Å; R651-Q653 HydrophobicContact CG-CG 4.03Å; R651-Q653 PolarHBondContact O-N 3.16Å
652	R	25.5	Very low	26.1	Very low	231.333 Å²	231.333	148.8 Å²	148.8	87%	0.873	76%	0.759	S	S	*	*				-63.1	114.8	124.3	-60.9	177.8	175.7	-130.6	-1.3	110.6	I650 S654	I650-R652 HydrophobicContact CG2-CG 4.46Å; I650-R652 PolarHBondContact O-N 3.23Å; R652-S654 PolarHBondContact O-N 3.43Å
653	Q	28.7	Very low	26.1	Very low	163.333 Å²	163.333	144.1 Å²	144.1	76%	0.763	76%	0.756	S	S	*	*				-96.9	98.8	116.9	-69.7	-163.1	-33.8	0	0	109	R651 C655	R651-Q653 HydrophobicContact CG-CG 4.03Å; R651-Q653 PolarHBondContact O-N 3.16Å; Q653-C655 PolarHBondContact O-N 2.99Å
654	S	25.4	Very low	26.1	Very low	108.667 Å²	108.667	142 Å²	142	76%	0.76	76%	0.758	S	S	*	*			trans	26.4	121.5	139.6	23.2	0	0	0	0	113.5	R652	R652-S654 PolarHBondContact O-N 3.43Å
655	C	23.8	Very low	26.1	Very low	112.333 Å²	112.333	140.8 Å²	140.8	76%	0.759	76%	0.759	S	S	*	*			trans	-87.4	151.1	131.7	-78.8	0	0	0	0	109.9	Q653 I657	Q653-C655 PolarHBondContact O-N 2.99Å; C655-I657 VanDerWaalsContact C-N 3.29Å; C655-I657 HydrophobicContact CB-CG1 4.22Å; C655-I657 PolarHBondContact O-N 3.34Å; C655-I657 VanDerWaalsContact O-N 3.14Å
656	P	28.9	Very low	26	Very low	111.333 Å²	111.333	139 Å²	139	72%	0.723	76%	0.763	S	S	*	*			trans	-89.1	133.6	-169.5	21.2	-6.7	0	0	0	110.4	I658	P656-I658 HydrophobicContact CB-CG1 4.27Å; P656-I658 PolarHBondContact O-N 2.71Å
657	I	23.3	Very low	26.2	Very low	143.667 Å²	143.667	137.2 Å²	137.2	74%	0.737	76%	0.764	S	S	*	*			trans	-48.2	111	160.3	-47	178.8	0	0	0	108	C655 T659	C655-I657 VanDerWaalsContact C-N 3.29Å; C655-I657 HydrophobicContact CB-CG1 4.22Å; C655-I657 PolarHBondContact O-N 3.34Å; C655-I657 VanDerWaalsContact O-N 3.14Å; I657-T659 HydrophobicContact CB-CG2 4.42Å; I657-T659 HydrophobicContact CG2-CG2 3.59Å; I657-T659 VanDerWaalsContact CG2-CG2 3.46Å; I657-T659 PolarHBondContact O-N 2.94Å
658	I	24.6	Very low	26.2	Very low	142.667 Å²	142.667	137 Å²	137	73%	0.732	77%	0.772	S	S	*	*			trans	-97.8	103.9	138.3	-63.3	171.9	0	0	0	107.6	P656 D660	P656-I658 HydrophobicContact CB-CG1 4.27Å; P656-I658 PolarHBondContact O-N 2.71Å; I658-D660 HydrophobicContact CG2-CB 4.07Å; I658-D660 PolarHBondContact O-N 2.73Å
659	T	24.2	Very low	26.2	Very low	113 Å²	113	134.9 Å²	134.9	69%	0.693	77%	0.768	S	S	*	*			trans	-74.4	98.7	168.2	41	0	0	0	0	110.9	I657 S661	I657-T659 HydrophobicContact CB-CG2 4.42Å; I657-T659 HydrophobicContact CG2-CG2 3.59Å; I657-T659 VanDerWaalsContact CG2-CG2 3.46Å; I657-T659 PolarHBondContact O-N 2.94Å; T659-S661 PolarHBondContact O-N 2.72Å; T659-S661 VanDerWaalsContact O-N 3.09Å
660	D	26.5	Very low	26.2	Very low	150 Å²	150	132.2 Å²	132.2	80%	0.802	77%	0.768	S	S	*	*			trans	-106.9	101.6	153.9	-81.6	-42.3	0	0	0	108.1	I658	I658-D660 HydrophobicContact CG2-CB 4.07Å; I658-D660 PolarHBondContact O-N 2.73Å
661	S	26.5	Very low	26.2	Very low	104.667 Å²	104.667	130 Å²	130	73%	0.732	77%	0.766	S	S	*	*			trans	-125.9	114.2	142.8	-25	0	0	0	0	109.8	T659 S663	T659-S661 PolarHBondContact O-N 2.72Å; T659-S661 VanDerWaalsContact O-N 3.09Å; S661-S663 PolarHBondContact O-N 3.05Å
662	V	27.2	Very low	26.2	Very low	133.333 Å²	133.333	126.9 Å²	126.9	81%	0.808	77%	0.765	S	S	*	*			trans	-126.4	105.9	142	172.1	0	0	0	0	108	S664	V662-S664 PolarHBondContact O-N 3.41Å; V662-S664 VanDerWaalsContact O-N 3.13Å
663	S	27.2	Very low	26.3	Very low	106 Å²	106	124 Å²	124	74%	0.741	76%	0.761	S	S	*	*			trans	-157	108	155.7	15.8	0	0	0	0	114.9	S661	S661-S663 PolarHBondContact O-N 3.05Å
664	S	25.9	Very low	26.2	Very low	109.667 Å²	109.667	122.2 Å²	122.2	77%	0.767	76%	0.761	S	S	*	*				158.5	151	121.9	-56.3	0	0	0	0	113.8	V662	V662-S664 PolarHBondContact O-N 3.41Å; V662-S664 VanDerWaalsContact O-N 3.13Å
665	P	27.3	Very low	26.2	Very low	121 Å²	121	123.5 Å²	123.5	79%	0.786	76%	0.759	S	S	*	*				-109.2	161.3	-115	37.4	-29.4	0	0	0	113.8
666	S	25.3	Very low	26.3	Very low	114.333 Å²	114.333	128.3 Å²	128.3	80%	0.8	76%	0.76	S	S	*	*			trans	-99.7	137.7	165.9	-34.7	0	0	0	0	112.1	S668	S666-S668 PolarHBondContact O-N 3.31Å
667	P	28.8	Very low	26.3	Very low	126.667 Å²	126.667	131.2 Å²	131.2	82%	0.823	77%	0.765	S	S	*	*			trans	-86.5	128.9	179.1	26	-19.2	0	0	0	111.8
668	S	24.4	Very low	26.5	Very low	110.333 Å²	110.333	133.1 Å²	133.1	77%	0.772	77%	0.77	S	S	*	*			trans	-106.9	134.4	159.1	46.2	0	0	0	0	110.8	S666	S666-S668 PolarHBondContact O-N 3.31Å
669	S	28.2	Very low	26.6	Very low	105.667 Å²	105.667	131.8 Å²	131.8	74%	0.739	77%	0.771	S	S	*	*				155.4	124.7	128.2	33.5	0	0	0	0	111.4
670	S	26.4	Very low	26.7	Very low	111 Å²	111	131.3 Å²	131.3	78%	0.776	77%	0.772	S	S	*	*			trans	72.7	139.8	140.2	79.1	0	0	0	0	116.5
671	S	27.7	Very low	26.6	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	77%	0.774	S	S	*	*			cis	156.7	128.9	6.5	35.8	0	0	0	0	112.6
672	N	24.3	Very low	26.6	Very low	145.667 Å²	145.667	134.2 Å²	134.2	78%	0.779	78%	0.775	S	S	*	*			trans	19.9	138.4	146.6	-71.6	-36.8	0	0	0	116.8
673	Q	28.2	Very low	26.4	Very low	169.333 Å²	169.333	134 Å²	134	79%	0.791	77%	0.774	S	S	*	*				178.2	125	114.9	-91	-178.4	12.2	0	0	114.1
674	V	26	Very low	26.8	Very low	125.667 Å²	125.667	134.5 Å²	134.5	76%	0.762	78%	0.775	S	S	*	*			trans	57.3	131	148.8	178.4	0	0	0	0	114.5
675	I	26.7	Very low	26.8	Very low	137 Å²	137	134.7 Å²	134.7	70%	0.703	78%	0.777	S	S	*	*			trans	176.3	118.5	137.6	-76.5	-177.4	0	0	0	112.4
676	R	24.4	Very low	26.8	Very low	212 Å²	212	133.5 Å²	133.5	80%	0.8	77%	0.771	S	S	*	*			trans	41.2	136.7	139.1	-58.5	176.8	167.9	-136.6	-2	119.6
677	Q	29.3	Very low	26.9	Very low	173.333 Å²	173.333	137.2 Å²	137.2	81%	0.81	77%	0.769	S	S	*	*				-171.4	139.2	85.9	-107.4	164.2	88.2	0	0	111.9
678	Q	27.3	Very low	26.9	Very low	183.333 Å²	183.333	137.8 Å²	137.8	86%	0.857	76%	0.759	S	S	*	*			trans	-46.4	143.3	162.3	-78.9	-176.6	-22.6	0	0	114.9
679	P	27.8	Very low	27.3	Very low	115.667 Å²	115.667	140.4 Å²	140.4	75%	0.751	76%	0.759	S	S	*	*				-133.8	154.2	100.4	31.5	-12	0	0	0	113.9
680	S	24.8	Very low	27.4	Very low	101 Å²	101	142 Å²	142	71%	0.706	76%	0.759	S	S	*	*			trans	-168.4	137.6	151.7	32	0	0	0	0	113.7
681	F	25	Very low	27.6	Very low	190.667 Å²	190.667	142.7 Å²	142.7	84%	0.836	75%	0.753	S	S	*	*			trans	-170.5	129.6	165	-75.8	-72.4	0	0	0	110.8
682	T	26	Very low	27.8	Very low	125.333 Å²	125.333	145.5 Å²	145.5	77%	0.769	75%	0.754	S	S	*	*				178.3	140.1	80.1	34.3	0	0	0	0	111.1
683	T	24.4	Very low	28	Very low	128.667 Å²	128.667	143.8 Å²	143.8	79%	0.789	75%	0.754	S	S	*	*			trans	-126.6	174.2	143.5	21	0	0	0	0	109.7
684	P	33.7	Very low	28.2	Very low	116.333 Å²	116.333	139.1 Å²	139.1	76%	0.755	75%	0.752	S	S	*	*			cis	-126.2	-172	-12.3	39.1	-21.2	0	0	0	114
685	S	25.8	Very low	28.6	Very low	114.333 Å²	114.333	141.9 Å²	141.9	80%	0.8	76%	0.756	S	S	*	*			trans	79.8	138.5	160.2	-155	0	0	0	0	113.9
686	S	27.9	Very low	29	Very low	96.6667 Å²	96.6667	142.7 Å²	142.7	68%	0.676	76%	0.762	S	S	*	*			cis	-170.1	145.2	8.9	51.5	0	0	0	0	109.3
687	Y	27.6	Very low	29.8	Very low	191.333 Å²	191.333	139 Å²	139	75%	0.75	76%	0.763	S	S	*	*				102.7	127.5	114.9	-112.8	-127.3	0	0	0	116.6
688	F	29	Very low	30	Very low	140.333 Å²	140.333	137.7 Å²	137.7	62%	0.615	76%	0.761	S	S	*	*				77.9	142.9	105.8	-88.7	-99.2	0	0	0	117.3
689	E	32.3	Very low	30.4	Very low	163.333 Å²	163.333	136.4 Å²	136.4	76%	0.763	76%	0.76	S	S	*	*				170.9	132.4	89.5	-98	168.3	169.3	0	0	113.4
690	D	29.9	Very low	30.6	Very low	140.333 Å²	140.333	139.6 Å²	139.6	75%	0.75	77%	0.765	S	S	*	*			trans	-92.8	147.2	163.7	-75.5	-26.3	0	0	0	109.8
691	I	31.4	Very low	31.1	Very low	125 Å²	125	142.6 Å²	142.6	64%	0.641	77%	0.768	S	S	*	*			trans	-164.5	127.7	145.1	-107.8	169	0	0	0	110.8
692	H	32.2	Very low	31.5	Very low	159.667 Å²	159.667	141.8 Å²	141.8	74%	0.739	76%	0.764	S	S	*	*			trans	63.8	129.6	150.5	-56.1	-41.9	0	0	0	120
693	S	28.9	Very low	31.7	Very low	110 Å²	110	143 Å²	143	77%	0.769	77%	0.765	S	S	*	*			cis	92.2	114.1	42.7	69.2	0	0	0	0	114.7
694	G	31.8	Very low	31.9	Very low	72 Å²	72	143.5 Å²	143.5	74%	0.742	76%	0.762	S	S	*	*			trans	123.6	124.8	158.6	0	0	0	0	0	112.8
695	E	34.4	Very low	31.7	Very low	183.333 Å²	183.333	145.6 Å²	145.6	86%	0.857	76%	0.761	S	S	*	*				151.9	126.3	66.3	-96.5	179.1	-174.5	0	0	110.7
696	D	35	Very low	31.8	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	76%	0.756	S	S	*	*			trans	23.1	127.2	153.9	-57.4	-29.2	0	0	0	118
697	V	40.4	Very low	31.8	Very low	136.333 Å²	136.333	152.3 Å²	152.3	83%	0.826	77%	0.765	S	S	*	*			trans	-155.8	111.7	154.1	-149.6	0	0	0	0	111.4	D699	V697-D699 PolarHBondContact O-N 2.98Å
698	D	33.9	Very low	32	Very low	144.333 Å²	144.333	149.1 Å²	149.1	77%	0.772	76%	0.761	S	S	*	*			trans	-71.6	144.2	170	-63.3	-63	0	0	0	110.8
699	D	36.8	Very low	32	Very low	157.667 Å²	157.667	149.1 Å²	149.1	84%	0.843	77%	0.767	S	S	*	*			trans	169.4	114.6	142.7	-78.2	-30.2	0	0	0	113.7	V697 E701	V697-D699 PolarHBondContact O-N 2.98Å; D699-E701 PolarHBondContact O-N 3.46Å
700	E	30.6	Very low	32	Very low	181.333 Å²	181.333	150 Å²	150	85%	0.847	77%	0.771	S	S	*	*			trans	-31.2	119.6	159.8	-68.8	-147.9	160	0	0	115.1
701	E	35.8	Very low	31.9	Very low	163.667 Å²	163.667	151.7 Å²	151.7	77%	0.765	77%	0.774	S	S	*	*			trans	85.3	99	144.5	-88.8	-164.2	169.1	0	0	117.2	D699 L703 Y805	D699-E701 PolarHBondContact O-N 3.46Å; E701-L703 PolarHBondContact O-N 3.43Å; E701-Y805 WeakPolarHBondContact OE1-CD2 3.43Å
702	K	34.7	Very low	31.8	Very low	175.333 Å²	175.333	152.4 Å²	152.4	76%	0.762	78%	0.779	S	S	*	*			trans	69.9	103	135.4	-133.5	173.5	179.8	148.1	0	116.8
703	L	29.9	Very low	31.6	Very low	150.333 Å²	150.333	150.2 Å²	150.2	79%	0.787	78%	0.782	S	S	*	*			trans	33.2	122.6	138	-134.2	105.7	0	0	0	115.8	E701	E701-L703 PolarHBondContact O-N 3.43Å
704	I	28.5	Very low	31.6	Very low	139.333 Å²	139.333	155.1 Å²	155.1	72%	0.715	79%	0.785	S	S	*	*			trans	106.3	125.2	152.5	-58.5	176.4	0	0	0	114.5
705	H	28.7	Very low	31.4	Very low	159.667 Å²	159.667	157.1 Å²	157.1	74%	0.739	78%	0.779	S	S	*	*			trans	96.4	122.8	170.3	-81.6	-70.2	0	0	0	112.5
706	L	29.2	Very low	31.1	Very low	131.667 Å²	131.667	153.8 Å²	153.8	69%	0.689	77%	0.773	S	S	*	*				157.1	121.9	104.6	-106.6	94.4	0	0	0	109.6	D708	L706-D708 WeakPolarHBondContact CD2-OD2 3.33Å; L706-D708 PolarHBondContact O-N 2.86Å
707	Y	27.8	Very low	30.9	Very low	220.667 Å²	220.667	152.7 Å²	152.7	87%	0.865	77%	0.767	S	S	*	*			trans	-103.5	115.3	146.5	-82.8	-77.5	0	0	0	105.9
708	D	30.5	Very low	30.4	Very low	124.333 Å²	124.333	153.6 Å²	153.6	67%	0.665	77%	0.766	S	S	*	*			trans	-124	139.2	161.9	-88.3	-20.1	0	0	0	107.2	L706 Q710	L706-D708 WeakPolarHBondContact CD2-OD2 3.33Å; L706-D708 PolarHBondContact O-N 2.86Å; D708-Q710 PolarHBondContact O-N 3.04Å
709	D	30.3	Very low	30.1	Very low	139.333 Å²	139.333	153.8 Å²	153.8	75%	0.745	77%	0.766	S	S	*	*			trans	27.3	88.7	162.8	-66.3	-31.6	0	0	0	116.6	H711	D709-H711 PolarHBondContact O-N 2.81Å
710	Q	30.4	Very low	29.7	Very low	183.667 Å²	183.667	156.1 Å²	156.1	86%	0.858	76%	0.764	S	S	*	*			trans	-106.1	103	143.6	-90.7	178.7	10.7	0	0	110.9	D708 D712	D708-Q710 PolarHBondContact O-N 3.04Å; Q710-D712 VanDerWaalsContact C-N 3.27Å; Q710-D712 PolarHBondContact O-N 3.07Å
711	H	28.6	Very low	29.6	Very low	174 Å²	174	153.8 Å²	153.8	81%	0.806	76%	0.758	S	S	*	*			trans	-46.9	105.8	164.2	-78.2	-85	0	0	0	113.2	D709 S713	D709-H711 PolarHBondContact O-N 2.81Å; H711-S713 PolarHBondContact O-N 3.05Å; H711-S713 VanDerWaalsContact O-N 3.13Å
712	D	29	Very low	29.2	Very low	141.333 Å²	141.333	153.5 Å²	153.5	76%	0.756	76%	0.756	S	S	*	*			trans	-67.1	117.8	163.3	-69.5	-50.1	0	0	0	110.3	Q710 Y714	Q710-D712 VanDerWaalsContact C-N 3.27Å; Q710-D712 PolarHBondContact O-N 3.07Å; D712-Y714 HydrophobicContact CB-CD2 4.41Å; D712-Y714 PolarHBondContact O-N 2.93Å
713	S	28.7	Very low	28.8	Very low	113.667 Å²	113.667	152.9 Å²	152.9	80%	0.795	76%	0.756	S	S	*	*			trans	-82.8	95.9	166	135.1	0	0	0	0	111.2	H711 D715	H711-S713 PolarHBondContact O-N 3.05Å; H711-S713 VanDerWaalsContact O-N 3.13Å; S713-D715 VanDerWaalsContact C-N 3.31Å; S713-D715 PolarHBondContact O-N 3.4Å
714	Y	27.9	Very low	28.6	Very low	211.667 Å²	211.667	152.3 Å²	152.3	83%	0.83	75%	0.752	S	S	*	*			trans	-56.2	108.7	159	-89.2	-91.9	0	0	0	113.2	D712 P716	D712-Y714 HydrophobicContact CB-CD2 4.41Å; D712-Y714 PolarHBondContact O-N 2.93Å; Y714-P716 WeakPolarHBondContact O-CD 3.41Å
715	D	29	Very low	28.5	Very low	114 Å²	114	152.5 Å²	152.5	61%	0.61	75%	0.75	S	S	*	*			trans	-76.5	114.6	166.7	-164.9	-16.5	0	0	0	109.6	S713 N717	S713-D715 VanDerWaalsContact C-N 3.31Å; S713-D715 PolarHBondContact O-N 3.4Å; D715-N717 VanDerWaalsContact C-N 3.3Å; D715-N717 PolarHBondContact O-N 3Å; D715-N717 VanDerWaalsContact O-N 3.15Å; D715-N717 PolarHBondContact OD1-ND2 3.05Å
716	P	27.8	Very low	28.5	Very low	114.667 Å²	114.667	148.8 Å²	148.8	75%	0.745	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	48.2	-173.8	34.2	-34.9	0	0	0	112.2	Y714	Y714-P716 WeakPolarHBondContact O-CD 3.41Å
717	N	29.9	Very low	28.5	Very low	129.667 Å²	129.667	148.6 Å²	148.6	69%	0.693	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	9.3	-179.1	-79.1	-57.5	0	0	0	115.5	D715	D715-N717 VanDerWaalsContact C-N 3.3Å; D715-N717 PolarHBondContact O-N 3Å; D715-N717 VanDerWaalsContact O-N 3.15Å; D715-N717 PolarHBondContact OD1-ND2 3.05Å
718	I	31.1	Very low	28.7	Very low	155.667 Å²	155.667	145.7 Å²	145.7	80%	0.798	74%	0.736	S	S	*	*			trans	-122.6	66.6	174.7	-46.7	179.1	0	0	0	110.4
719	L	27.8	Very low	28.7	Very low	147.667 Å²	147.667	146.2 Å²	146.2	77%	0.773	74%	0.738	S	S	*	*			trans	-136.4	83.2	151.6	-151.3	74.4	0	0	0	108.8	N721	L719-N721 PolarHBondContact O-N 3.04Å
720	Y	28.2	Very low	28.8	Very low	206.333 Å²	206.333	145.5 Å²	145.5	81%	0.809	73%	0.734	S	S	*	*			trans	-58.7	96.1	163.4	-104.1	-91.8	0	0	0	108.8	H722	Y720-H722 AromaticContact CD1-CD2 3.77Å; Y720-H722 AromaticContact CE1-NE2 3.89Å; Y720-H722 PolarHBondContact O-N 3.16Å
721	N	26.8	Very low	29	Very low	133.333 Å²	133.333	142.9 Å²	142.9	71%	0.713	73%	0.725	S	S	*	*			trans	-59.8	91.4	162.5	-74.8	-21.9	0	0	0	107.9	L719 E723	L719-N721 PolarHBondContact O-N 3.04Å; N721-E723 PolarHBondContact O-N 3.38Å
722	H	27.3	Very low	29.2	Very low	157 Å²	157	141.7 Å²	141.7	73%	0.727	72%	0.718	S	S	*	*			trans	-68.4	85.2	152.9	-90.5	-56.5	0	0	0	106.9	Y720 I724	Y720-H722 AromaticContact CD1-CD2 3.77Å; Y720-H722 AromaticContact CE1-NE2 3.89Å; Y720-H722 PolarHBondContact O-N 3.16Å; H722-I724 HydrophobicContact CB-CD1 4.39Å; H722-I724 HydrophobicContact CB-CG1 4.22Å; H722-I724 PolarHBondContact O-N 3.09Å
723	E	27	Very low	29.2	Very low	162.333 Å²	162.333	142.2 Å²	142.2	76%	0.759	71%	0.714	S	S	*	*			trans	-62	81.6	159.8	-107.1	-180	165.1	0	0	107.5	N721 H725	N721-E723 PolarHBondContact O-N 3.38Å; E723-H725 VanDerWaalsContact C-N 3.32Å; E723-H725 HydrophobicContact CG-CB 4.47Å; E723-H725 PolarHBondContact O-N 2.91Å
724	I	26.8	Very low	29.4	Very low	138 Å²	138	141.8 Å²	141.8	71%	0.708	71%	0.708	S	S	*	*			trans	-77.2	81.7	168.4	-55.9	176.9	0	0	0	105.9	H722 S726	H722-I724 HydrophobicContact CB-CD1 4.39Å; H722-I724 HydrophobicContact CB-CG1 4.22Å; H722-I724 PolarHBondContact O-N 3.09Å; I724-S726 PolarHBondContact O-N 2.96Å
725	H	26.7	Very low	29.6	Very low	143.667 Å²	143.667	139.7 Å²	139.7	67%	0.665	70%	0.7	S	S	*	*			trans	-70.7	109.2	175.2	-73.2	-62.8	0	0	0	110.8	E723 N727	E723-H725 VanDerWaalsContact C-N 3.32Å; E723-H725 HydrophobicContact CG-CB 4.47Å; E723-H725 PolarHBondContact O-N 2.91Å; H725-N727 PolarHBondContact O-N 3.13Å
726	S	27.5	Very low	30.1	Very low	83 Å²	83	139.7 Å²	139.7	58%	0.58	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-42.2	25.9	165.8	-134.1	0	0	0	0	115.6	I724 H728 L729	I724-S726 PolarHBondContact O-N 2.96Å; S726-H728 PolarHBondContact O-N 2.76Å; S726-H728 VanDerWaalsContact O-N 3.07Å; S726-L729 PolarHBondContact O-N 3.37Å
727	N	29.6	Very low	30.7	Very low	126.333 Å²	126.333	142.1 Å²	142.1	68%	0.676	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-94.7	-8.2	171.4	-72.5	-18.4	0	0	0	114	H725	H725-N727 PolarHBondContact O-N 3.13Å
728	H	31.3	Very low	31.3	Very low	159.667 Å²	159.667	142.7 Å²	142.7	74%	0.739	71%	0.709	S	S	*	*	S	Bend	trans	-99.9	-9.4	179.4	-71.7	-67.1	0	0	0	115	S726	S726-H728 PolarHBondContact O-N 2.76Å; S726-H728 VanDerWaalsContact O-N 3.07Å
729	L	31	Very low	31.9	Very low	135.333 Å²	135.333	142.2 Å²	142.2	71%	0.709	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-91.2	-12	176.7	-73.7	168	0	0	0	113.9	S726 L731	S726-L729 PolarHBondContact O-N 3.37Å; L729-L731 PolarHBondContact O-N 3.4Å
730	N	31.7	Very low	32.7	Very low	125.333 Å²	125.333	140.8 Å²	140.8	67%	0.67	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-81.8	11.6	179.7	-87.8	-9.3	0	0	0	115.2
731	L	35.2	Very low	33.6	Very low	127.333 Å²	127.333	139.7 Å²	139.7	67%	0.667	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-95.3	-1.4	-179.6	-87.9	161.2	0	0	0	115.2	L729	L729-L731 PolarHBondContact O-N 3.4Å
732	F	33.3	Very low	35	Very low	150 Å²	150	137.4 Å²	137.4	66%	0.658	69%	0.688	S	S	*	*	S	Bend	trans	-118.8	-9.7	-179.1	-80.7	-76.5	0	0	0	116.5	I194 Q210	I194-F732 HydrophobicContact CD1-CZ 3.75Å; Q210-F732 HydrophobicContact CG-CE1 4.48Å
733	F	29.4	Very low	35.7	Very low	150.667 Å²	150.667	137.2 Å²	137.2	66%	0.661	68%	0.682	S	S	*	*			trans	-142.3	101.1	172	-67.5	-79.3	0	0	0	111	V217 Y735	V217-F733 HydrophobicContact CG1-CZ 4.16Å; F733-Y735 PolarHBondContact O-N 3.13Å
734	P	32.3	Very low	37.1	Very low	105.667 Å²	105.667	134.2 Å²	134.2	69%	0.686	68%	0.675	S	S	*	*			trans	-77.9	11.6	173.7	15.7	-11.9	0	0	0	113.9
735	Y	32.3	Very low	38.7	Very low	167.667 Å²	167.667	130.3 Å²	130.3	66%	0.658	65%	0.654	S	S	*	*	S	Bend	trans	-121.9	121.8	-170.9	-59.4	-71.4	0	0	0	111.5	F733 L737	F733-Y735 PolarHBondContact O-N 3.13Å; Y735-L737 PolarHBondContact O-N 3.03Å
736	N	39.2	Very low	40.2	Very low	114.667 Å²	114.667	126.1 Å²	126.1	61%	0.613	64%	0.636	S	S	*	*			trans	-72.2	121.5	175	-171.4	-1.8	0	0	0	109.1	N738 E739	N736-N738 PolarHBondContact O-N 3.26Å; N736-N738 PolarHBondContact OD1-N 2.94Å; N736-E739 PolarHBondContact O-N 3.49Å
737	L	40.7	Very low	41.6	Very low	164.667 Å²	164.667	127.1 Å²	127.1	86%	0.862	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-7.7	-176.4	-70.7	166.9	0	0	0	114.3	Y735	Y735-L737 PolarHBondContact O-N 3.03Å
738	N	41.8	Very low	43.3	Very low	142.667 Å²	142.667	127.5 Å²	127.5	76%	0.763	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	4.9	-175.9	-68.9	-6.3	0	0	0	114.3	N736	N736-N738 PolarHBondContact O-N 3.26Å; N736-N738 PolarHBondContact OD1-N 2.94Å
739	E	43.3	Very low	44.8	Very low	145.333 Å²	145.333	124.4 Å²	124.4	68%	0.679	61%	0.611	S	S	*	*	S	Bend	trans	-105.1	127.3	173.6	-91	178.7	170.9	0	0	111	N736 W741	N736-E739 PolarHBondContact O-N 3.49Å; E739-W741 PolarHBondContact O-N 2.92Å
740	S	45.1	Very low	45.9	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	60%	0.6	S	S	*	*			trans	-64.6	125.2	175.7	41.1	0	0	0	0	110.4	D742	S740-D742 PolarHBondContact O-N 3.17Å
741	W	47.8	Very low	47	Very low	183.667 Å²	183.667	121.1 Å²	121.1	70%	0.696	59%	0.593	S	S	*	*			trans	-63.9	110.9	-178.3	-78.7	20.3	0	0	0	111.2	E739 Y743	E739-W741 PolarHBondContact O-N 2.92Å; W741-Y743 HydrophobicContact CB-CD2 4.34Å; W741-Y743 HydrophobicContact CB-CE2 4.25Å; W741-Y743 HydrophobicContact CE3-CE1 4.27Å; W741-Y743 AromaticContact CE3-CZ 4Å; W741-Y743 PolarHBondContact O-N 3.16Å
742	D	56.7	Low	47.9	Very low	84.6667 Å²	84.6667	119.7 Å²	119.7	45%	0.453	58%	0.583	S	S	.	*			trans	-96.9	95.7	166.3	-169.4	-7.7	0	0	0	108.8	S740 T744 E745 D746	S740-D742 PolarHBondContact O-N 3.17Å; D742-T744 PolarHBondContact O-N 3.15Å; D742-T744 VanDerWaalsContact OD1-CB 3.27Å; D742-T744 WeakPolarHBondContact OD1-CB 3.27Å; D742-T744 PolarHBondContact OD1-N 2.83Å; D742-T744 VanDerWaalsContact OD1-N 3.16Å; D742-T744 PolarHBondContact OD1-OG1 3.08Å; D742-E745 HydrophobicContact CB-CB 4.15Å; D742-E745 WeakPolarHBondContact O-CB 3.41Å; D742-E745 PolarHBondContact O-N 3.04Å; D742-D746 PolarHBondContact O-N 3.05Å
743	Y	41.3	Very low	48.6	Very low	153 Å²	153	116.8 Å²	116.8	60%	0.6	57%	0.574	S	S	*	*	H	α-helix	trans	-55.1	-25.6	177.9	-105.7	-92.3	0	0	0	112.9	K128 W741 E745 L747	K128-Y743 PolarHBondContact NZ-OH 3Å; W741-Y743 HydrophobicContact CB-CD2 4.34Å; W741-Y743 HydrophobicContact CB-CE2 4.25Å; W741-Y743 HydrophobicContact CE3-CE1 4.27Å; W741-Y743 AromaticContact CE3-CZ 4Å; W741-Y743 PolarHBondContact O-N 3.16Å; Y743-E745 VanDerWaalsContact C-N 3.34Å; Y743-L747 HydrophobicContact CD1-CD1 4Å; Y743-L747 HydrophobicContact CE1-CD1 3.44Å; Y743-L747 VanDerWaalsContact CE1-CD1 3.44Å; Y743-L747 HydrophobicContact CE1-CG 4.31Å; Y743-L747 HydrophobicContact CE2-CD1 4.45Å; Y743-L747 WeakPolarHBondContact O-CB 3.28Å; Y743-L747 VanDerWaalsContact O-CG 3.3Å; Y743-L747 WeakPolarHBondContact O-CG 3.45Å; Y743-L747 PolarHBondContact O-N 3.01Å; Y743-L747 VanDerWaalsContact O-N 3.1Å
744	T	56	Low	49.5	Very low	99 Å²	99	114.2 Å²	114.2	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-68.8	-40.7	176.7	-29.4	0	0	0	0	111.2	D742 R748	D742-T744 PolarHBondContact O-N 3.15Å; D742-T744 VanDerWaalsContact OD1-CB 3.27Å; D742-T744 WeakPolarHBondContact OD1-CB 3.27Å; D742-T744 PolarHBondContact OD1-N 2.83Å; D742-T744 VanDerWaalsContact OD1-N 3.16Å; D742-T744 PolarHBondContact OD1-OG1 3.08Å; T744-R748 VanDerWaalsContact O-CB 3.25Å; T744-R748 WeakPolarHBondContact O-CB 3.41Å; T744-R748 PolarHBondContact O-N 2.82Å; T744-R748 VanDerWaalsContact O-N 3.09Å
745	E	59.8	Low	49.9	Very low	57.6667 Å²	57.6667	117 Å²	117	27%	0.269	56%	0.564	S	S	.	*	H	α-helix	trans	-70.7	-39.4	-179.8	-170.4	59.2	-149.7	0	0	111.9	D742 Y743 R748 K749	D742-E745 HydrophobicContact CB-CB 4.15Å; D742-E745 WeakPolarHBondContact O-CB 3.41Å; D742-E745 PolarHBondContact O-N 3.04Å; Y743-E745 VanDerWaalsContact C-N 3.34Å; E745-R748 VanDerWaalsContact CD-NE 3.31Å; E745-R748 CarbonylContact O-C 3.56Å; E745-R748 WeakPolarHBondContact O-CB 3.32Å; E745-R748 PolarHBondContact O-N 3Å; E745-R748 IonicContact OE1-CZ 3.15Å; E745-R748 VanDerWaalsContact OE1-CZ 3.3Å; E745-R748 IonicContact OE1-NE 3.47Å; E745-R748 PolarHBondContact OE1-NE 2.9Å; E745-R748 VanDerWaalsContact OE1-NE 3.15Å; E745-R748 IonicContact OE1-NH2 2.75Å; E745-R748 PolarHBondContact OE1-NH2 3.22Å; E745-R748 IonicContact OE2-CZ 3.68Å; E745-R748 IonicContact OE2-NE 3.81Å; E745-R748 PolarHBondContact OE2-NE 3.11Å; E745-R748 IonicContact OE2-NH1 2.66Å; E745-R748 IonicContact OE2-NH2 2.88Å; E745-R748 PolarHBondContact OE2-NH2 3.04Å; E745-K749 WeakPolarHBondContact O-CB 3.34Å; E745-K749 WeakPolarHBondContact O-CG 3.4Å; E745-K749 PolarHBondContact O-N 2.75Å; E745-K749 VanDerWaalsContact OE1-CE 3.29Å; E745-K749 WeakPolarHBondContact OE1-CE 3.18Å
746	D	58.1	Low	50.4	Low	55.6667 Å²	55.6667	114.4 Å²	114.4	30%	0.298	56%	0.559	S	S	.	*	H	α-helix	trans	-73.6	-34.8	179.1	-70.7	-23.5	0	0	0	112	D742 R748 K749 I750	D742-D746 PolarHBondContact O-N 3.05Å; D746-R748 VanDerWaalsContact C-N 3.35Å; D746-K749 PolarHBondContact O-N 3.16Å; D746-K749 IonicContact OD1-NZ 3.05Å; D746-K749 PolarHBondContact OD1-NZ 3.28Å; D746-I750 WeakPolarHBondContact O-CB 3.42Å; D746-I750 WeakPolarHBondContact O-CD1 3.37Å; D746-I750 VanDerWaalsContact O-CG1 3.23Å; D746-I750 WeakPolarHBondContact O-CG1 3.31Å; D746-I750 PolarHBondContact O-N 3.09Å
747	L	57.3	Low	50.1	Low	103.667 Å²	103.667	118.8 Å²	118.8	54%	0.543	57%	0.566	S	S	.	*	H	α-helix	trans	-63.8	-41.7	168.6	-74.5	175	0	0	0	111.4	Y743 K749 I750 D751	Y743-L747 HydrophobicContact CD1-CD1 4Å; Y743-L747 HydrophobicContact CE1-CD1 3.44Å; Y743-L747 VanDerWaalsContact CE1-CD1 3.44Å; Y743-L747 HydrophobicContact CE1-CG 4.31Å; Y743-L747 HydrophobicContact CE2-CD1 4.45Å; Y743-L747 WeakPolarHBondContact O-CB 3.28Å; Y743-L747 VanDerWaalsContact O-CG 3.3Å; Y743-L747 WeakPolarHBondContact O-CG 3.45Å; Y743-L747 PolarHBondContact O-N 3.01Å; Y743-L747 VanDerWaalsContact O-N 3.1Å; L747-K749 VanDerWaalsContact C-N 3.35Å; L747-K749 PolarHBondContact O-N 3.19Å; L747-I750 PolarHBondContact O-N 2.9Å; L747-I750 VanDerWaalsContact O-N 3.16Å; L747-D751 WeakPolarHBondContact O-CB 3.1Å; L747-D751 PolarHBondContact O-N 3.25Å
748	R	65.6	Low	50	Low	133.667 Å²	133.667	116 Å²	116	50%	0.504	56%	0.556	S	S	.	*	H	α-helix	trans	-61.3	-43	174.3	-170.7	-177.7	39.6	174.8	-3.6	111.7	T744 E745 D746 I750 D751 E752	T744-R748 VanDerWaalsContact O-CB 3.25Å; T744-R748 WeakPolarHBondContact O-CB 3.41Å; T744-R748 PolarHBondContact O-N 2.82Å; T744-R748 VanDerWaalsContact O-N 3.09Å; E745-R748 VanDerWaalsContact CD-NE 3.31Å; E745-R748 CarbonylContact O-C 3.56Å; E745-R748 WeakPolarHBondContact O-CB 3.32Å; E745-R748 PolarHBondContact O-N 3Å; E745-R748 IonicContact OE1-CZ 3.15Å; E745-R748 VanDerWaalsContact OE1-CZ 3.3Å; E745-R748 IonicContact OE1-NE 3.47Å; E745-R748 PolarHBondContact OE1-NE 2.9Å; E745-R748 VanDerWaalsContact OE1-NE 3.15Å; E745-R748 IonicContact OE1-NH2 2.75Å; E745-R748 PolarHBondContact OE1-NH2 3.22Å; E745-R748 IonicContact OE2-CZ 3.68Å; E745-R748 IonicContact OE2-NE 3.81Å; E745-R748 PolarHBondContact OE2-NE 3.11Å; E745-R748 IonicContact OE2-NH1 2.66Å; E745-R748 IonicContact OE2-NH2 2.88Å; E745-R748 PolarHBondContact OE2-NH2 3.04Å; D746-R748 VanDerWaalsContact C-N 3.35Å; R748-I750 VanDerWaalsContact C-N 3.29Å; R748-I750 PolarHBondContact O-N 3.12Å; R748-D751 PolarHBondContact O-N 3.39Å; R748-E752 IonicContact NH1-OE2 2.58Å; R748-E752 PolarHBondContact NH1-OE2 3.29Å; R748-E752 WeakPolarHBondContact O-CB 3.35Å; R748-E752 PolarHBondContact O-N 3.06Å
749	K	62.3	Low	49.5	Very low	95 Å²	95	113.5 Å²	113.5	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-34.4	174.9	-74.5	170.8	-169.6	156.3	0	112.5	E745 D746 L747 N753	E745-K749 WeakPolarHBondContact O-CB 3.34Å; E745-K749 WeakPolarHBondContact O-CG 3.4Å; E745-K749 PolarHBondContact O-N 2.75Å; E745-K749 VanDerWaalsContact OE1-CE 3.29Å; E745-K749 WeakPolarHBondContact OE1-CE 3.18Å; D746-K749 PolarHBondContact O-N 3.16Å; D746-K749 IonicContact OD1-NZ 3.05Å; D746-K749 PolarHBondContact OD1-NZ 3.28Å; L747-K749 VanDerWaalsContact C-N 3.35Å; L747-K749 PolarHBondContact O-N 3.19Å; K749-N753 WeakPolarHBondContact O-CB 3.41Å; K749-N753 PolarHBondContact O-N 3.07Å; K749-N753 PolarHBondContact O-ND2 3.09Å
750	I	54.8	Low	48.9	Very low	92.6667 Å²	92.6667	113 Å²	113	48%	0.475	55%	0.547	S	S	.	.	H	α-helix	trans	-66.7	-47.4	174.9	-71.5	163.2	0	0	0	109.6	D746 L747 R748 E752 N753 I754	D746-I750 WeakPolarHBondContact O-CB 3.42Å; D746-I750 WeakPolarHBondContact O-CD1 3.37Å; D746-I750 VanDerWaalsContact O-CG1 3.23Å; D746-I750 WeakPolarHBondContact O-CG1 3.31Å; D746-I750 PolarHBondContact O-N 3.09Å; L747-I750 PolarHBondContact O-N 2.9Å; L747-I750 VanDerWaalsContact O-N 3.16Å; R748-I750 VanDerWaalsContact C-N 3.29Å; R748-I750 PolarHBondContact O-N 3.12Å; I750-E752 VanDerWaalsContact C-N 3.31Å; I750-E752 PolarHBondContact O-N 3.35Å; I750-N753 PolarHBondContact O-N 3.22Å; I750-I754 HydrophobicContact CG2-CD1 4.04Å; I750-I754 VanDerWaalsContact O-CG1 3.29Å; I750-I754 WeakPolarHBondContact O-CG1 3.35Å; I750-I754 PolarHBondContact O-N 3.1Å
751	D	54.1	Low	48.3	Very low	99 Å²	99	112.3 Å²	112.3	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-64.8	-41.4	177.3	-108.4	2.5	0	0	0	111.6	L747 R748 N753 I754 Y755	L747-D751 WeakPolarHBondContact O-CB 3.1Å; L747-D751 PolarHBondContact O-N 3.25Å; R748-D751 PolarHBondContact O-N 3.39Å; D751-N753 VanDerWaalsContact C-N 3.31Å; D751-N753 PolarHBondContact O-N 3.1Å; D751-I754 CarbonylContact O-C 3.49Å; D751-I754 WeakPolarHBondContact O-CA 3.4Å; D751-I754 WeakPolarHBondContact O-CB 3.45Å; D751-I754 PolarHBondContact O-N 2.97Å; D751-Y755 WeakPolarHBondContact O-CB 3.3Å; D751-Y755 VanDerWaalsContact O-CD2 3.29Å; D751-Y755 WeakPolarHBondContact O-CD2 3.46Å; D751-Y755 PolarHBondContact O-N 3.19Å
752	E	55.1	Low	47.3	Very low	96.6667 Å²	96.6667	108.9 Å²	108.9	45%	0.452	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-35.2	177.1	-166.7	165.8	-158.9	0	0	111.8	R748 I750 I754 Y755 Q756	R748-E752 IonicContact NH1-OE2 2.58Å; R748-E752 PolarHBondContact NH1-OE2 3.29Å; R748-E752 WeakPolarHBondContact O-CB 3.35Å; R748-E752 PolarHBondContact O-N 3.06Å; I750-E752 VanDerWaalsContact C-N 3.31Å; I750-E752 PolarHBondContact O-N 3.35Å; E752-I754 VanDerWaalsContact C-N 3.33Å; E752-Y755 CarbonylContact O-C 3.55Å; E752-Y755 PolarHBondContact O-N 3.03Å; E752-Q756 HydrophobicContact CG-CG 4.24Å; E752-Q756 WeakPolarHBondContact O-CB 3.47Å; E752-Q756 WeakPolarHBondContact O-CG 3.39Å; E752-Q756 PolarHBondContact O-N 2.9Å; E752-Q756 PolarHBondContact OE1-NE2 2.76Å
753	N	47.6	Very low	46	Very low	90 Å²	90	113.9 Å²	113.9	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-70.4	-31.7	171.2	-82.8	-62.9	0	0	0	112.8	K749 I750 D751 Y755 R757	K749-N753 WeakPolarHBondContact O-CB 3.41Å; K749-N753 PolarHBondContact O-N 3.07Å; K749-N753 PolarHBondContact O-ND2 3.09Å; I750-N753 PolarHBondContact O-N 3.22Å; D751-N753 VanDerWaalsContact C-N 3.31Å; D751-N753 PolarHBondContact O-N 3.1Å; N753-Y755 VanDerWaalsContact C-N 3.35Å; N753-R757 VanDerWaalsContact O-CB 3.27Å; N753-R757 WeakPolarHBondContact O-CB 3.4Å; N753-R757 VanDerWaalsContact O-CG 3.26Å; N753-R757 WeakPolarHBondContact O-CG 3.24Å; N753-R757 PolarHBondContact O-N 3.17Å; N753-R757 VanDerWaalsContact O-N 3.12Å
754	I	48.7	Very low	45.4	Very low	97 Å²	97	111.8 Å²	111.8	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-68.1	-41.8	172.3	-68.9	165.9	0	0	0	109.6	I750 D751 E752 R757 T758	I750-I754 HydrophobicContact CG2-CD1 4.04Å; I750-I754 VanDerWaalsContact O-CG1 3.29Å; I750-I754 WeakPolarHBondContact O-CG1 3.35Å; I750-I754 PolarHBondContact O-N 3.1Å; D751-I754 CarbonylContact O-C 3.49Å; D751-I754 WeakPolarHBondContact O-CA 3.4Å; D751-I754 WeakPolarHBondContact O-CB 3.45Å; D751-I754 PolarHBondContact O-N 2.97Å; E752-I754 VanDerWaalsContact C-N 3.33Å; I754-R757 PolarHBondContact O-N 3.17Å; I754-T758 WeakPolarHBondContact O-CG2 3.31Å; I754-T758 PolarHBondContact O-N 3.23Å; I754-T758 VanDerWaalsContact O-N 3.11Å; I754-T758 PolarHBondContact O-OG1 3.19Å
755	Y	40.5	Very low	44.1	Very low	162.667 Å²	162.667	112.7 Å²	112.7	64%	0.638	57%	0.569	S	S	*	*	H	α-helix	trans	-67.7	-41.7	176.5	-106.6	-83.8	0	0	0	112.6	D751 E752 N753 R757 T758 T759	D751-Y755 WeakPolarHBondContact O-CB 3.3Å; D751-Y755 VanDerWaalsContact O-CD2 3.29Å; D751-Y755 WeakPolarHBondContact O-CD2 3.46Å; D751-Y755 PolarHBondContact O-N 3.19Å; E752-Y755 CarbonylContact O-C 3.55Å; E752-Y755 PolarHBondContact O-N 3.03Å; N753-Y755 VanDerWaalsContact C-N 3.35Å; Y755-R757 VanDerWaalsContact C-N 3.29Å; Y755-R757 PolarHBondContact O-N 3.39Å; Y755-T758 CarbonylContact O-C 3.56Å; Y755-T758 WeakPolarHBondContact O-CA 3.32Å; Y755-T758 PolarHBondContact O-N 3.05Å; Y755-T758 PolarHBondContact O-OG1 3.08Å; Y755-T758 VanDerWaalsContact O-OG1 3.12Å; Y755-T759 HydrophobicContact CD1-CG2 3.91Å; Y755-T759 HydrophobicContact CE1-CG2 3.66Å; Y755-T759 HydrophobicContact CG-CG2 4.46Å; Y755-T759 WeakPolarHBondContact O-CG2 3.3Å; Y755-T759 PolarHBondContact O-N 2.89Å; Y755-T759 PolarHBondContact O-OG1 3.37Å
756	Q	41.9	Very low	42.7	Very low	115 Å²	115	116.7 Å²	116.7	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-69	-30.2	175.5	-71.9	-168.8	24.1	0	0	112.8	E752 T758 T759 I760	E752-Q756 HydrophobicContact CG-CG 4.24Å; E752-Q756 WeakPolarHBondContact O-CB 3.47Å; E752-Q756 WeakPolarHBondContact O-CG 3.39Å; E752-Q756 PolarHBondContact O-N 2.9Å; E752-Q756 PolarHBondContact OE1-NE2 2.76Å; Q756-T758 VanDerWaalsContact C-N 3.35Å; Q756-T758 PolarHBondContact O-N 3.24Å; Q756-T758 VanDerWaalsContact O-N 3.1Å; Q756-T759 WeakPolarHBondContact CA-OG1 3.45Å; Q756-T759 PolarHBondContact O-N 3Å; Q756-T759 VanDerWaalsContact O-N 3.11Å; Q756-T759 PolarHBondContact O-OG1 2.97Å; Q756-I760 WeakPolarHBondContact O-CG1 3.39Å; Q756-I760 PolarHBondContact O-N 3.47Å
757	R	34.2	Very low	41.2	Very low	205.333 Å²	205.333	121.2 Å²	121.2	78%	0.775	62%	0.616	S	S	*	*	H	α-helix	trans	-68.5	-18.4	172	-77.8	-179.8	-171.8	-154.6	4	113.6	N753 I754 Y755 T759	N753-R757 VanDerWaalsContact O-CB 3.27Å; N753-R757 WeakPolarHBondContact O-CB 3.4Å; N753-R757 VanDerWaalsContact O-CG 3.26Å; N753-R757 WeakPolarHBondContact O-CG 3.24Å; N753-R757 PolarHBondContact O-N 3.17Å; N753-R757 VanDerWaalsContact O-N 3.12Å; I754-R757 PolarHBondContact O-N 3.17Å; Y755-R757 VanDerWaalsContact C-N 3.29Å; Y755-R757 PolarHBondContact O-N 3.39Å; R757-T759 VanDerWaalsContact C-N 3.34Å
758	T	37.2	Very low	39.8	Very low	106 Å²	106	122.8 Å²	122.8	65%	0.65	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-5.8	173.8	55.4	0	0	0	0	114.5	I754 Y755 Q756	I754-T758 WeakPolarHBondContact O-CG2 3.31Å; I754-T758 PolarHBondContact O-N 3.23Å; I754-T758 VanDerWaalsContact O-N 3.11Å; I754-T758 PolarHBondContact O-OG1 3.19Å; Y755-T758 CarbonylContact O-C 3.56Å; Y755-T758 WeakPolarHBondContact O-CA 3.32Å; Y755-T758 PolarHBondContact O-N 3.05Å; Y755-T758 PolarHBondContact O-OG1 3.08Å; Y755-T758 VanDerWaalsContact O-OG1 3.12Å; Q756-T758 VanDerWaalsContact C-N 3.35Å; Q756-T758 PolarHBondContact O-N 3.24Å; Q756-T758 VanDerWaalsContact O-N 3.1Å
759	T	32.2	Very low	38	Very low	91.3333 Å²	91.3333	122.6 Å²	122.6	56%	0.56	64%	0.639	S	S	*	*	H	α-helix	trans	-121.4	35.9	178.2	53.3	0	0	0	0	113.3	Y755 Q756 R757 P761	Y755-T759 HydrophobicContact CD1-CG2 3.91Å; Y755-T759 HydrophobicContact CE1-CG2 3.66Å; Y755-T759 HydrophobicContact CG-CG2 4.46Å; Y755-T759 WeakPolarHBondContact O-CG2 3.3Å; Y755-T759 PolarHBondContact O-N 2.89Å; Y755-T759 PolarHBondContact O-OG1 3.37Å; Q756-T759 WeakPolarHBondContact CA-OG1 3.45Å; Q756-T759 PolarHBondContact O-N 3Å; Q756-T759 VanDerWaalsContact O-N 3.11Å; Q756-T759 PolarHBondContact O-OG1 2.97Å; R757-T759 VanDerWaalsContact C-N 3.34Å; T759-P761 VanDerWaalsContact O-CD 3.26Å; T759-P761 WeakPolarHBondContact O-CD 3.35Å
760	I	30.8	Very low	36.4	Very low	134.333 Å²	134.333	123.5 Å²	123.5	69%	0.689	65%	0.652	S	S	*	*			trans	-82.7	105.8	155.3	-60.8	173	0	0	0	106.4	Q756 C762	Q756-I760 WeakPolarHBondContact O-CG1 3.39Å; Q756-I760 PolarHBondContact O-N 3.47Å; I760-C762 PolarHBondContact O-N 3.09Å; I760-C762 VanDerWaalsContact O-N 3.08Å
761	P	31.2	Very low	35	Very low	101.333 Å²	101.333	124.5 Å²	124.5	66%	0.658	66%	0.663	S	S	*	*			trans	-60.1	124.1	167.8	11.7	-12.1	0	0	0	107.1	T759 K763	T759-P761 VanDerWaalsContact O-CD 3.26Å; T759-P761 WeakPolarHBondContact O-CD 3.35Å; P761-K763 VanDerWaalsContact C-N 3.33Å; P761-K763 PolarHBondContact O-N 3.15Å
762	C	28	Very low	33.6	Very low	113.667 Å²	113.667	129.3 Å²	129.3	77%	0.768	68%	0.675	S	S	*	*			trans	-55.5	101	169.2	-68.4	0	0	0	0	107.4	I760 T764	I760-C762 PolarHBondContact O-N 3.09Å; I760-C762 VanDerWaalsContact O-N 3.08Å; C762-T764 VanDerWaalsContact C-N 3.27Å; C762-T764 HydrophobicContact CB-CG2 4.34Å; C762-T764 PolarHBondContact O-N 3.05Å
763	K	28.8	Very low	32.1	Very low	189 Å²	189	131.4 Å²	131.4	82%	0.822	69%	0.689	S	S	*	*			trans	-68.6	81.4	159.4	-78.8	-175.9	176.1	178.5	0	105.6	P761 T765	P761-K763 VanDerWaalsContact C-N 3.33Å; P761-K763 PolarHBondContact O-N 3.15Å; K763-T765 VanDerWaalsContact C-N 3.28Å; K763-T765 PolarHBondContact O-N 3.25Å; K763-T765 PolarHBondContact O-OG1 3.34Å; K763-T765 VanDerWaalsContact O-OG1 3.07Å
764	T	29.1	Very low	31.1	Very low	108.333 Å²	108.333	133 Å²	133	67%	0.665	70%	0.703	S	S	*	*			trans	-49.8	106.4	155.1	40.7	0	0	0	0	105.4	C762 D766	C762-T764 VanDerWaalsContact C-N 3.27Å; C762-T764 HydrophobicContact CB-CG2 4.34Å; C762-T764 PolarHBondContact O-N 3.05Å; T764-D766 VanDerWaalsContact C-N 3.3Å; T764-D766 PolarHBondContact O-N 3.02Å
765	T	28.5	Very low	30.1	Very low	119.333 Å²	119.333	134.4 Å²	134.4	73%	0.732	72%	0.715	S	S	*	*			trans	-76.2	94.2	176	-52.8	0	0	0	0	103.9	K763 L767	K763-T765 VanDerWaalsContact C-N 3.28Å; K763-T765 PolarHBondContact O-N 3.25Å; K763-T765 PolarHBondContact O-OG1 3.34Å; K763-T765 VanDerWaalsContact O-OG1 3.07Å; T765-L767 VanDerWaalsContact C-N 3.32Å; T765-L767 PolarHBondContact O-N 3.15Å; T765-L767 VanDerWaalsContact O-N 3.1Å
766	D	29.8	Very low	29.4	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	72%	0.723	S	S	*	*			trans	-60.5	100.6	176.7	-70.9	-34.5	0	0	0	107.3	T764 N768	T764-D766 VanDerWaalsContact C-N 3.3Å; T764-D766 PolarHBondContact O-N 3.02Å; D766-N768 VanDerWaalsContact C-N 3.26Å; D766-N768 PolarHBondContact O-N 2.94Å; D766-N768 VanDerWaalsContact O-N 3.14Å
767	L	26.9	Very low	28.6	Very low	150 Å²	150	132.5 Å²	132.5	79%	0.785	73%	0.734	S	S	*	*			trans	-64.5	107.9	168.7	-118.3	83	0	0	0	106.7	T765 T769	T765-L767 VanDerWaalsContact C-N 3.32Å; T765-L767 PolarHBondContact O-N 3.15Å; T765-L767 VanDerWaalsContact O-N 3.1Å; L767-T769 PolarHBondContact O-N 3.06Å; L767-T769 VanDerWaalsContact O-N 3.14Å
768	N	28.8	Very low	28.1	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	73%	0.732	S	S	*	*			trans	89.6	111.9	158.8	-68.1	-41.5	0	0	0	113	D766 T770	D766-N768 VanDerWaalsContact C-N 3.26Å; D766-N768 PolarHBondContact O-N 2.94Å; D766-N768 VanDerWaalsContact O-N 3.14Å; N768-T770 PolarHBondContact O-N 2.92Å
769	T	28.1	Very low	27.5	Very low	130.667 Å²	130.667	129.5 Å²	129.5	80%	0.802	74%	0.736	S	S	*	*			trans	-114.5	100.6	135.7	31.8	0	0	0	0	110.8	L767 T771	L767-T769 PolarHBondContact O-N 3.06Å; L767-T769 VanDerWaalsContact O-N 3.14Å; T769-T771 VanDerWaalsContact C-N 3.28Å; T769-T771 PolarHBondContact O-N 2.88Å
770	T	27.1	Very low	27.1	Very low	113.667 Å²	113.667	134.2 Å²	134.2	70%	0.697	75%	0.749	S	S	*	*			trans	-52.5	125.7	157.5	18.9	0	0	0	0	109.5	N768 Y772	N768-T770 PolarHBondContact O-N 2.92Å; T770-Y772 PolarHBondContact O-N 3.31Å
771	T	25.5	Very low	26.8	Very low	114 Å²	114	133.7 Å²	133.7	70%	0.699	75%	0.747	S	S	*	*			trans	-29.7	99.9	162.6	-27	0	0	0	0	112.3	T769 D773	T769-T771 VanDerWaalsContact C-N 3.28Å; T769-T771 PolarHBondContact O-N 2.88Å; T771-D773 VanDerWaalsContact C-N 3.34Å; T771-D773 HydrophobicContact CG2-CB 4.17Å; T771-D773 PolarHBondContact O-N 3.27Å
772	Y	25.2	Very low	26.5	Very low	198.667 Å²	198.667	136.4 Å²	136.4	78%	0.779	75%	0.751	S	S	*	*			trans	-43.8	98.6	149.7	-75.5	-78.2	0	0	0	112.3	T770 T774	T770-Y772 PolarHBondContact O-N 3.31Å; Y772-T774 PolarHBondContact O-N 3.14Å; Y772-T774 PolarHBondContact O-OG1 2.75Å
773	D	24.1	Very low	26.5	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	75%	0.749	S	S	*	*			trans	-33.3	94.9	152.9	-88.2	-15.7	0	0	0	112.4	T771	T771-D773 VanDerWaalsContact C-N 3.34Å; T771-D773 HydrophobicContact CG2-CB 4.17Å; T771-D773 PolarHBondContact O-N 3.27Å
774	T	26.5	Very low	26.4	Very low	123.667 Å²	123.667	136.2 Å²	136.2	76%	0.759	75%	0.746	S	S	*	*			trans	-64.5	108.4	155.1	-12.6	0	0	0	0	110.8	Y772 T776	Y772-T774 PolarHBondContact O-N 3.14Å; Y772-T774 PolarHBondContact O-OG1 2.75Å; T774-T776 PolarHBondContact O-N 3.3Å
775	V	27.7	Very low	26.3	Very low	126.333 Å²	126.333	137.8 Å²	137.8	77%	0.766	75%	0.75	S	S	*	*			trans	-66.2	137.1	157.4	162.2	0	0	0	0	111.7	S777	V775-S777 PolarHBondContact O-N 3Å
776	T	25.2	Very low	26.3	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	75%	0.752	S	S	*	*			trans	-41.3	120	169.9	36.3	0	0	0	0	115	T774	T774-T776 PolarHBondContact O-N 3.3Å
777	S	25.4	Very low	26.1	Very low	108.667 Å²	108.667	139.2 Å²	139.2	76%	0.76	75%	0.752	S	S	*	*			trans	176.4	110	133.3	24.8	0	0	0	0	112.8	V775	V775-S777 PolarHBondContact O-N 3Å
778	S	23.5	Very low	25.9	Very low	105.667 Å²	105.667	139.1 Å²	139.1	74%	0.739	75%	0.752	S	S	*	*				37.6	128	125.1	149.5	0	0	0	0	115.5
779	I	24.9	Very low	25.7	Very low	142 Å²	142	142.5 Å²	142.5	73%	0.728	76%	0.756	S	S	*	*			trans	112	92.6	147.4	-64.4	163.2	0	0	0	114.4	N781	I779-N781 HydrophobicContact CG2-CB 4.08Å; I779-N781 PolarHBondContact O-N 2.91Å
780	F	23.8	Very low	25.6	Very low	190.667 Å²	190.667	142.6 Å²	142.6	84%	0.836	76%	0.756	S	S	*	*			trans	45.1	121.6	137.6	-83.2	-99.6	0	0	0	118
781	N	25.2	Very low	25.5	Very low	124 Å²	124	140.6 Å²	140.6	66%	0.663	75%	0.751	S	S	*	*			trans	64.2	115.1	148.5	-105.3	22.7	0	0	0	117.1	I779 N783	I779-N781 HydrophobicContact CG2-CB 4.08Å; I779-N781 PolarHBondContact O-N 2.91Å; N781-N783 PolarHBondContact O-N 2.93Å
782	E	25.4	Very low	25.5	Very low	156.667 Å²	156.667	142.5 Å²	142.5	73%	0.732	76%	0.756	S	S	*	*				68.5	112.5	120.2	-78.3	179	-169.3	0	0	114.4
783	N	27.2	Very low	25.5	Very low	135.667 Å²	135.667	138.3 Å²	138.3	73%	0.725	76%	0.755	S	S	*	*				144.9	122.8	129.9	-87	-25.2	0	0	0	114.2	N781	N781-N783 PolarHBondContact O-N 2.93Å
784	E	25.6	Very low	25.5	Very low	163.667 Å²	163.667	137.4 Å²	137.4	77%	0.765	76%	0.755	S	S	*	*			trans	-38.3	131.3	146.5	-60.3	166.5	154.3	0	0	112
785	N	27.3	Very low	25.4	Very low	140.667 Å²	140.667	142.1 Å²	142.1	75%	0.752	76%	0.759	S	S	*	*			trans	142.4	115.8	130.1	-81.8	-47.3	0	0	0	115.2
786	N	29.4	Very low	25.3	Very low	144 Å²	144	141.8 Å²	141.8	77%	0.77	76%	0.757	S	S	*	*			trans	153.4	103.6	138.6	-84.6	-24.8	0	0	0	114.2
787	I	24.7	Very low	25.4	Very low	147.333 Å²	147.333	141.7 Å²	141.7	76%	0.756	76%	0.757	S	S	*	*				22.6	128.3	112.4	-58.7	167.9	0	0	0	111.4
788	L	24.2	Very low	25.3	Very low	147 Å²	147	144.1 Å²	144.1	77%	0.77	76%	0.761	S	S	*	*				-174.7	145.2	61.8	-174	68.8	0	0	0	110.3	T790	L788-T790 PolarHBondContact O-N 2.93Å
789	Y	23.7	Very low	25.4	Very low	208.667 Å²	208.667	145 Å²	145	82%	0.818	76%	0.762	S	S	*	*			trans	-21.9	144.2	164.9	-81.8	-101.8	0	0	0	119.7
790	T	26.6	Very low	25.3	Very low	132.333 Å²	132.333	143.9 Å²	143.9	81%	0.812	76%	0.762	S	S	*	*			trans	163.8	118.6	144.9	-23.4	0	0	0	0	111.6	L788	L788-T790 PolarHBondContact O-N 2.93Å
791	A	24.7	Very low	25.4	Very low	72.6667 Å²	72.6667	139.7 Å²	139.7	60%	0.601	76%	0.756	S	S	*	*				-133.1	140	90.4	0	0	0	0	0	114.7
792	I	24.3	Very low	25.5	Very low	153.333 Å²	153.333	141.1 Å²	141.1	79%	0.786	76%	0.762	S	S	*	*			trans	74.3	114.2	141.4	-56.2	158.1	0	0	0	118.8	T794	I792-T794 HydrophobicContact CG2-CG2 3.82Å
793	S	25.6	Very low	25.6	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	76%	0.761	S	S	*	*			trans	161.6	125.4	133.3	-139.8	0	0	0	0	114.1	R795	S793-R795 PolarHBondContact O-N 2.9Å
794	T	25.4	Very low	25.5	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	76%	0.759	S	S	*	*			trans	-92	133.7	165.8	35.6	0	0	0	0	111.7	I792	I792-T794 HydrophobicContact CG2-CG2 3.82Å
795	R	23.7	Very low	25.6	Very low	223.333 Å²	223.333	140.2 Å²	140.2	84%	0.843	76%	0.758	S	S	*	*			trans	106.1	128	141.2	-131.6	-178.4	174.5	165.1	-2.1	117.7	S793	S793-R795 PolarHBondContact O-N 2.9Å
796	T	25.3	Very low	25.6	Very low	119.333 Å²	119.333	143.4 Å²	143.4	73%	0.732	76%	0.761	S	S	*	*			trans	38.4	120.8	153.5	50.1	0	0	0	0	117.4
797	T	26.6	Very low	25.6	Very low	127.333 Å²	127.333	143.5 Å²	143.5	78%	0.781	76%	0.76	S	S	*	*				-136.8	118.8	125.3	28	0	0	0	0	109.5	V799	T797-V799 PolarHBondContact O-N 2.9Å; T797-V799 VanDerWaalsContact O-N 3.13Å
798	N	23.1	Very low	25.7	Very low	159 Å²	159	142.4 Å²	142.4	85%	0.85	76%	0.755	S	S	*	*			trans	-65	125.4	160.7	-76.8	-18	0	0	0	108.9
799	V	26.3	Very low	25.9	Very low	126 Å²	126	144.7 Å²	144.7	76%	0.764	76%	0.759	S	S	*	*			trans	-134.5	106.5	152.1	178.4	0	0	0	0	109.2	T797	T797-V799 PolarHBondContact O-N 2.9Å; T797-V799 VanDerWaalsContact O-N 3.13Å
800	T	23.9	Very low	26.2	Very low	117.667 Å²	117.667	140.3 Å²	140.3	72%	0.722	75%	0.754	S	S	*	*			trans	-36.1	139.2	160.7	46.3	0	0	0	0	115.7
801	S	25.9	Very low	26.3	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	75%	0.753	S	S	*	*			trans	98.1	123.4	134.9	65.8	0	0	0	0	117.9
802	I	26.2	Very low	26.4	Very low	154 Å²	154	146.3 Å²	146.3	79%	0.79	76%	0.764	S	S	*	*			trans	53.4	125.2	150.5	-68.4	162.8	0	0	0	114.3
803	E	27.7	Very low	26.6	Very low	152.5 Å²	152.5	143.6 Å²	143.6	71%	0.713	76%	0.757	S	S	*	*			trans	134.1	131.2	160.2	-107.4	169.2	-179.5	0	0	114.5	Y805	E803-Y805 HydrophobicContact CB-CE2 4.32Å; E803-Y805 HydrophobicContact CG-CE2 3.83Å; E803-Y805 PolarHBondContact O-N 3.1Å; E803-Y805 PolarHBondContact OE1-OH 2.74Å
804	S	25.8	Very low	26.6	Very low	99.25 Å²	99.25	144.9 Å²	144.9	69%	0.694	75%	0.754	S	S	*	*			trans	-59.6	125.1	158.6	50.1	0	0	0	0	112.4	Y806	S804-Y806 PolarHBondContact O-N 3.32Å
805	Y	27.6	Very low	26.7	Very low	184.75 Å²	184.75	148.8 Å²	148.8	73%	0.725	76%	0.756	S	S	*	*				-110	130.7	119.3	-79.6	-76.6	0	0	0	112.5	E701 E803 I807	E701-Y805 WeakPolarHBondContact OE1-CD2 3.43Å; E803-Y805 HydrophobicContact CB-CE2 4.32Å; E803-Y805 HydrophobicContact CG-CE2 3.83Å; E803-Y805 PolarHBondContact O-N 3.1Å; E803-Y805 PolarHBondContact OE1-OH 2.74Å; Y805-I807 PolarHBondContact O-N 2.85Å
806	Y	27.1	Very low	27	Very low	208.5 Å²	208.5	146.2 Å²	146.2	82%	0.818	75%	0.751	S	S	*	*			trans	-63.3	140.2	156.4	-93.2	-121	0	0	0	113.2	S804 D808	S804-Y806 PolarHBondContact O-N 3.32Å; Y806-D808 PolarHBondContact O-N 3.45Å
807	I	28.2	Very low	27.1	Very low	146.5 Å²	146.5	147.2 Å²	147.2	75%	0.751	75%	0.752	S	S	*	*			trans	-86.5	124.4	136.5	-65	172.6	0	0	0	109.8	Y805 K809	Y805-I807 PolarHBondContact O-N 2.85Å; I807-K809 HydrophobicContact CG2-CG 4.28Å; I807-K809 PolarHBondContact O-N 3.17Å
808	D	27.1	Very low	27.2	Very low	124.5 Å²	124.5	148.6 Å²	148.6	67%	0.666	75%	0.75	S	S	*	*				-92	127.2	106.3	-143	-16.7	0	0	0	113.3	Y806 T810	Y806-D808 PolarHBondContact O-N 3.45Å; D808-T810 PolarHBondContact O-N 3.22Å; D808-T810 VanDerWaalsContact O-N 3.11Å; D808-T810 PolarHBondContact OD1-OG1 3.3Å
809	K	29.1	Very low	27.5	Very low	195.75 Å²	195.75	148 Å²	148	85%	0.851	75%	0.747	S	S	*	*			trans	-90.6	65.5	173.9	-78.3	-177.9	178.9	163.1	0	115.3	I807	I807-K809 HydrophobicContact CG2-CG 4.28Å; I807-K809 PolarHBondContact O-N 3.17Å
810	T	29.3	Very low	27.7	Very low	115.25 Å²	115.25	147.6 Å²	147.6	71%	0.707	74%	0.739	S	S	*	*			trans	-112.2	37.7	-174.6	29.1	0	0	0	0	115.2	D808 Q812	D808-T810 PolarHBondContact O-N 3.22Å; D808-T810 VanDerWaalsContact O-N 3.11Å; D808-T810 PolarHBondContact OD1-OG1 3.3Å; T810-Q812 PolarHBondContact O-N 3.14Å
811	I	29.8	Very low	27.9	Very low	156 Å²	156	148.9 Å²	148.9	80%	0.8	74%	0.742	S	S	*	*			trans	-108.9	94.4	166.9	-53.4	178.2	0	0	0	110.5	P813	I811-P813 WeakPolarHBondContact O-CD 3.33Å
812	Q	25.8	Very low	28.3	Very low	174.5 Å²	174.5	152.5 Å²	152.5	82%	0.815	75%	0.745	S	S	*	*			trans	-52.4	142	149.5	-75	-168.5	-10.6	0	0	111.8	T810 L814	T810-Q812 PolarHBondContact O-N 3.14Å; Q812-L814 PolarHBondContact O-N 3.25Å; Q812-L814 VanDerWaalsContact O-N 3.14Å
813	P	28.6	Very low	28.5	Very low	97.75 Å²	97.75	154.3 Å²	154.3	64%	0.635	75%	0.747	S	S	*	*			trans	-104.1	127.9	153.4	24.1	-13.4	0	0	0	110.4	I811 Y815	I811-P813 WeakPolarHBondContact O-CD 3.33Å; P813-Y815 VanDerWaalsContact C-N 3.27Å; P813-Y815 HydrophobicContact CB-CD2 4.18Å; P813-Y815 HydrophobicContact CB-CE2 3.83Å; P813-Y815 HydrophobicContact CG-CD2 4.38Å; P813-Y815 HydrophobicContact CG-CE2 3.75Å; P813-Y815 VanDerWaalsContact O-CD2 3.32Å; P813-Y815 WeakPolarHBondContact O-CD2 3.34Å; P813-Y815 PolarHBondContact O-N 2.94Å
814	L	26.1	Very low	28.7	Very low	137 Å²	137	151.6 Å²	151.6	72%	0.717	74%	0.742	S	S	*	*			trans	-69.5	99.8	150.7	-163.4	69.8	0	0	0	111.8	Q812 K816	Q812-L814 PolarHBondContact O-N 3.25Å; Q812-L814 VanDerWaalsContact O-N 3.14Å; L814-K816 VanDerWaalsContact C-N 3.28Å; L814-K816 HydrophobicContact CD1-CG 4.4Å; L814-K816 HydrophobicContact CG-CG 4.4Å; L814-K816 PolarHBondContact O-N 3Å
815	Y	27.7	Very low	29.3	Very low	203 Å²	203	150 Å²	150	80%	0.796	73%	0.731	S	S	*	*			trans	-68.8	123.2	148.5	-71.3	-81.6	0	0	0	109.9	P813	P813-Y815 VanDerWaalsContact C-N 3.27Å; P813-Y815 HydrophobicContact CB-CD2 4.18Å; P813-Y815 HydrophobicContact CB-CE2 3.83Å; P813-Y815 HydrophobicContact CG-CD2 4.38Å; P813-Y815 HydrophobicContact CG-CE2 3.75Å; P813-Y815 VanDerWaalsContact O-CD2 3.32Å; P813-Y815 WeakPolarHBondContact O-CD2 3.34Å; P813-Y815 PolarHBondContact O-N 2.94Å
816	K	28.9	Very low	29.9	Very low	170 Å²	170	148.4 Å²	148.4	74%	0.739	73%	0.732	S	S	*	*			trans	-112.5	138.3	151.1	-92.9	179.6	178.6	-176.8	0	107.8	L814 Q818	L814-K816 VanDerWaalsContact C-N 3.28Å; L814-K816 HydrophobicContact CD1-CG 4.4Å; L814-K816 HydrophobicContact CG-CG 4.4Å; L814-K816 PolarHBondContact O-N 3Å; K816-Q818 VanDerWaalsContact C-N 3.29Å; K816-Q818 PolarHBondContact O-N 3.22Å
817	D	27.8	Very low	30.5	Very low	140 Å²	140	143 Å²	143	75%	0.749	72%	0.717	S	S	*	*			trans	-64.5	117.5	150.9	-65.7	-58.4	0	0	0	110.4
818	Q	28.2	Very low	31.3	Very low	157.25 Å²	157.25	139.8 Å²	139.8	74%	0.735	70%	0.702	S	S	*	*			trans	-96.9	117.3	156.7	-76.7	176.9	-1.1	0	0	109.1	K816 I820	K816-Q818 VanDerWaalsContact C-N 3.29Å; K816-Q818 PolarHBondContact O-N 3.22Å; Q818-I820 HydrophobicContact CB-CG1 4.19Å; Q818-I820 PolarHBondContact O-N 3.13Å
819	D	29.6	Very low	32.3	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	70%	0.699	S	S	*	*			trans	-80.1	92.7	153.7	-80.9	-39.3	0	0	0	110.7	N821	D819-N821 VanDerWaalsContact C-N 3.28Å; D819-N821 PolarHBondContact O-N 3.15Å; D819-N821 PolarHBondContact O-ND2 2.74Å
820	I	30.6	Very low	32.9	Very low	118 Å²	118	136.3 Å²	136.3	61%	0.605	68%	0.683	S	S	*	*			trans	-54.3	99.2	161.5	-58.3	174.2	0	0	0	108.9	Q818 F822	Q818-I820 HydrophobicContact CB-CG1 4.19Å; Q818-I820 PolarHBondContact O-N 3.13Å; I820-F822 HydrophobicContact CB-CD2 4.35Å; I820-F822 HydrophobicContact CB-CE2 4.21Å; I820-F822 HydrophobicContact CG2-CD2 3.66Å; I820-F822 HydrophobicContact CG2-CE2 3.55Å; I820-F822 VanDerWaalsContact CG2-CE2 3.45Å; I820-F822 HydrophobicContact CG2-CG 4.42Å; I820-F822 HydrophobicContact CG2-CZ 4.14Å; I820-F822 PolarHBondContact O-N 3.26Å
821	N	28	Very low	33.9	Very low	144.5 Å²	144.5	134.5 Å²	134.5	77%	0.773	67%	0.669	S	S	*	*			trans	-78.3	103.9	163	-103.6	-54.4	0	0	0	109	D819 K823	D819-N821 VanDerWaalsContact C-N 3.28Å; D819-N821 PolarHBondContact O-N 3.15Å; D819-N821 PolarHBondContact O-ND2 2.74Å; N821-K823 VanDerWaalsContact C-N 3.26Å; N821-K823 PolarHBondContact O-N 3.18Å
822	F	34.2	Very low	35	Very low	177.5 Å²	177.5	131.8 Å²	131.8	78%	0.779	66%	0.656	S	S	*	*			trans	-45.2	108.2	159	-83.9	-81.9	0	0	0	111	I820 P824	I820-F822 HydrophobicContact CB-CD2 4.35Å; I820-F822 HydrophobicContact CB-CE2 4.21Å; I820-F822 HydrophobicContact CG2-CD2 3.66Å; I820-F822 HydrophobicContact CG2-CE2 3.55Å; I820-F822 VanDerWaalsContact CG2-CE2 3.45Å; I820-F822 HydrophobicContact CG2-CG 4.42Å; I820-F822 HydrophobicContact CG2-CZ 4.14Å; I820-F822 PolarHBondContact O-N 3.26Å; F822-P824 VanDerWaalsContact O-CD 3.29Å; F822-P824 WeakPolarHBondContact O-CD 3.38Å; F822-P824 VanDerWaalsContact O-N 3.11Å
823	K	32.1	Very low	36.3	Very low	192.5 Å²	192.5	129.1 Å²	129.1	84%	0.837	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-53.9	129	156	-83.9	-176.4	175.1	-178.3	0	107.7	N821 S825	N821-K823 VanDerWaalsContact C-N 3.26Å; N821-K823 PolarHBondContact O-N 3.18Å; K823-S825 PolarHBondContact O-N 2.94Å
824	P	32	Very low	37.1	Very low	95 Å²	95	127.7 Å²	127.7	62%	0.617	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-71.5	151.3	156.1	-8.1	19.6	0	0	0	110.5	F822 D828 L829	F822-P824 VanDerWaalsContact O-CD 3.29Å; F822-P824 WeakPolarHBondContact O-CD 3.38Å; F822-P824 VanDerWaalsContact O-N 3.11Å; P824-D828 HydrophobicContact CB-CB 4.16Å; P824-L829 HydrophobicContact CB-CD1 4.42Å; P824-L829 HydrophobicContact CB-CG 4.28Å
825	S	37.5	Very low	38.1	Very low	66 Å²	66	125.2 Å²	125.2	46%	0.462	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-74.4	151.8	-179.1	124.6	0	0	0	0	110.5	K823 N827 D828 L829	K823-S825 PolarHBondContact O-N 2.94Å; S825-N827 PolarHBondContact O-N 3.18Å; S825-N827 VanDerWaalsContact O-N 3.15Å; S825-N827 PolarHBondContact OG-N 3.15Å; S825-D828 WeakPolarHBondContact CA-OD2 3.36Å; S825-D828 WeakPolarHBondContact CB-OD2 3.38Å; S825-D828 PolarHBondContact N-OD2 3.18Å; S825-D828 VanDerWaalsContact N-OD2 3.14Å; S825-D828 PolarHBondContact O-N 3.46Å; S825-L829 PolarHBondContact O-N 2.99Å
826	M	40.7	Very low	39.4	Very low	151 Å²	151	122.4 Å²	122.4	74%	0.744	61%	0.607	S	S	*	*	H	α-helix	trans	-30.9	-19.8	167.1	-90.9	-76.1	-82.2	0	0	114	D828 Y830	M826-D828 VanDerWaalsContact C-N 3.34Å; M826-D828 PolarHBondContact O-N 3.42Å; M826-Y830 VanDerWaalsContact O-CB 3.3Å; M826-Y830 WeakPolarHBondContact O-CB 3.38Å; M826-Y830 PolarHBondContact O-N 3.06Å; M826-Y830 VanDerWaalsContact O-N 3.07Å
827	N	40	Very low	40.1	Very low	95.25 Å²	95.25	118.7 Å²	118.7	51%	0.509	60%	0.595	S	S	.	*	H	α-helix	trans	-57.8	-34.2	176.3	-64.2	-24.7	0	0	0	114.3	S825 L829 Y830 L831	S825-N827 PolarHBondContact O-N 3.18Å; S825-N827 VanDerWaalsContact O-N 3.15Å; S825-N827 PolarHBondContact OG-N 3.15Å; N827-L829 PolarHBondContact O-N 2.82Å; N827-Y830 PolarHBondContact O-N 3.21Å; N827-L831 WeakPolarHBondContact O-CB 3.38Å; N827-L831 WeakPolarHBondContact O-CG 3.37Å; N827-L831 PolarHBondContact O-N 3.02Å
828	D	44.6	Very low	40.7	Very low	79 Å²	79	117.2 Å²	117.2	42%	0.422	59%	0.586	S	S	.	*	H	α-helix	trans	-75.5	-36.3	-176.8	-57.1	-33.5	0	0	0	111.9	K196 P824 S825 M826 Y830 L831 N832	K196-D828 WeakPolarHBondContact CD-OD1 3.43Å; K196-D828 WeakPolarHBondContact CE-OD1 3.15Å; K196-D828 IonicContact NZ-OD1 3.23Å; K196-D828 PolarHBondContact NZ-OD1 3.5Å; K196-D828 IonicContact NZ-OD2 3.04Å; K196-D828 PolarHBondContact NZ-OD2 2.97Å; P824-D828 HydrophobicContact CB-CB 4.16Å; S825-D828 WeakPolarHBondContact CA-OD2 3.36Å; S825-D828 WeakPolarHBondContact CB-OD2 3.38Å; S825-D828 PolarHBondContact N-OD2 3.18Å; S825-D828 VanDerWaalsContact N-OD2 3.14Å; S825-D828 PolarHBondContact O-N 3.46Å; M826-D828 VanDerWaalsContact C-N 3.34Å; M826-D828 PolarHBondContact O-N 3.42Å; D828-Y830 VanDerWaalsContact C-N 3.33Å; D828-Y830 PolarHBondContact O-N 2.99Å; D828-L831 PolarHBondContact O-N 3.28Å; D828-N832 VanDerWaalsContact O-CB 3.31Å; D828-N832 WeakPolarHBondContact O-CB 3.37Å; D828-N832 VanDerWaalsContact O-CG 3.25Å; D828-N832 PolarHBondContact O-N 3.16Å; D828-N832 PolarHBondContact O-ND2 3.31Å
829	L	48	Very low	41.1	Very low	116.75 Å²	116.75	114.7 Å²	114.7	61%	0.611	58%	0.584	S	S	*	*	H	α-helix	trans	-63.1	-40.8	171.6	-90.5	140.6	0	0	0	111.9	P824 S825 N827 L831 N832 W833	P824-L829 HydrophobicContact CB-CD1 4.42Å; P824-L829 HydrophobicContact CB-CG 4.28Å; S825-L829 PolarHBondContact O-N 2.99Å; N827-L829 PolarHBondContact O-N 2.82Å; L829-L831 VanDerWaalsContact C-N 3.25Å; L829-L831 PolarHBondContact O-N 3.44Å; L829-N832 PolarHBondContact O-N 2.97Å; L829-W833 VanDerWaalsContact O-CB 3.29Å; L829-W833 WeakPolarHBondContact O-CB 3.38Å; L829-W833 PolarHBondContact O-N 3.2Å
830	Y	42.6	Very low	41.4	Very low	129 Å²	129	110.7 Å²	110.7	51%	0.506	58%	0.577	S	S	.	*	H	α-helix	trans	-67.7	-36.8	179.3	-176.4	-106.5	0	0	0	112.5	V217 M826 N827 D828 W833 L834	V217-Y830 VanDerWaalsContact CG1-OH 3.26Å; V217-Y830 WeakPolarHBondContact CG1-OH 3.27Å; V217-Y830 WeakPolarHBondContact CG2-OH 3.33Å; M826-Y830 VanDerWaalsContact O-CB 3.3Å; M826-Y830 WeakPolarHBondContact O-CB 3.38Å; M826-Y830 PolarHBondContact O-N 3.06Å; M826-Y830 VanDerWaalsContact O-N 3.07Å; N827-Y830 PolarHBondContact O-N 3.21Å; D828-Y830 VanDerWaalsContact C-N 3.33Å; D828-Y830 PolarHBondContact O-N 2.99Å; Y830-W833 AromaticContact CD2-CE3 3.9Å; Y830-W833 HydrophobicContact CD2-CE3 3.96Å; Y830-W833 AromaticContact CD2-CZ3 3.77Å; Y830-W833 HydrophobicContact CD2-CZ3 4.21Å; Y830-W833 AromaticContact CE2-CE3 3.9Å; Y830-W833 HydrophobicContact CE2-CE3 4Å; Y830-W833 AromaticContact CE2-CZ3 3.82Å; Y830-W833 HydrophobicContact CE2-CZ3 3.82Å; Y830-W833 PolarHBondContact O-N 3.2Å; Y830-L834 HydrophobicContact CD1-CD1 3.87Å; Y830-L834 HydrophobicContact CD1-CG 4.43Å; Y830-L834 HydrophobicContact CD2-CG 4.47Å; Y830-L834 HydrophobicContact CE1-CD1 3.46Å; Y830-L834 VanDerWaalsContact CE1-CD1 3.48Å; Y830-L834 HydrophobicContact CE1-CG 4.15Å; Y830-L834 HydrophobicContact CE2-CD1 4.24Å; Y830-L834 HydrophobicContact CE2-CD2 4.47Å; Y830-L834 HydrophobicContact CE2-CG 4.19Å; Y830-L834 WeakPolarHBondContact O-CB 3.3Å; Y830-L834 WeakPolarHBondContact O-CD1 3.39Å; Y830-L834 WeakPolarHBondContact O-CG 3.34Å; Y830-L834 PolarHBondContact O-N 3.07Å
831	L	50.1	Low	41.4	Very low	78.75 Å²	78.75	112.8 Å²	112.8	41%	0.412	58%	0.578	S	S	.	*	H	α-helix	trans	-72.3	-34.6	177.4	-110.4	124.5	0	0	0	112.4	I194 N827 D828 L829 L834 N835 W958	I194-L831 HydrophobicContact CG2-CD2 3.56Å; N827-L831 WeakPolarHBondContact O-CB 3.38Å; N827-L831 WeakPolarHBondContact O-CG 3.37Å; N827-L831 PolarHBondContact O-N 3.02Å; D828-L831 PolarHBondContact O-N 3.28Å; L829-L831 VanDerWaalsContact C-N 3.25Å; L829-L831 PolarHBondContact O-N 3.44Å; L831-L834 PolarHBondContact O-N 2.93Å; L831-N835 WeakPolarHBondContact O-CB 3.28Å; L831-N835 PolarHBondContact O-N 3.12Å; L831-N835 VanDerWaalsContact O-N 3.14Å; L831-N835 PolarHBondContact O-ND2 3.17Å; L831-N835 VanDerWaalsContact O-ND2 3.16Å; L831-W958 HydrophobicContact CD1-CH2 3.87Å; L831-W958 HydrophobicContact CD1-CZ2 3.91Å; L831-W958 HydrophobicContact CD2-CZ2 3.95Å
832	N	52.8	Low	41.6	Very low	99.75 Å²	99.75	111 Å²	111	53%	0.533	57%	0.568	S	S	.	*	H	α-helix	trans	-69.5	-43.1	174.5	-75.5	-19.8	0	0	0	111.8	D828 L829 L834 N835 E836	D828-N832 VanDerWaalsContact O-CB 3.31Å; D828-N832 WeakPolarHBondContact O-CB 3.37Å; D828-N832 VanDerWaalsContact O-CG 3.25Å; D828-N832 PolarHBondContact O-N 3.16Å; D828-N832 PolarHBondContact O-ND2 3.31Å; L829-N832 PolarHBondContact O-N 2.97Å; N832-L834 VanDerWaalsContact C-N 3.3Å; N832-L834 PolarHBondContact O-N 2.79Å; N832-N835 CarbonylContact O-C 3.5Å; N832-N835 WeakPolarHBondContact O-CB 3.27Å; N832-N835 PolarHBondContact O-N 3.19Å; N832-N835 VanDerWaalsContact O-N 3.12Å; N832-E836 PolarHBondContact O-N 3.22Å
833	W	52.9	Low	41.4	Very low	117 Å²	117	106.4 Å²	106.4	44%	0.443	56%	0.559	S	S	.	*	H	α-helix	trans	-65.2	-37.9	177.2	-179	69	0	0	0	112.7	W222 L238 L829 Y830 N835 E836 L837	W222-W833 AromaticContact CD2-CH2 3.61Å; W222-W833 HydrophobicContact CD2-CH2 3.61Å; W222-W833 HydrophobicContact CD2-CZ2 4.17Å; W222-W833 AromaticContact CE3-CH2 3.31Å; W222-W833 HydrophobicContact CE3-CH2 3.31Å; W222-W833 AromaticContact CE3-CZ2 3.39Å; W222-W833 HydrophobicContact CE3-CZ2 3.39Å; W222-W833 HydrophobicContact CG-CH2 4.2Å; W222-W833 HydrophobicContact CH2-CH2 4.08Å; W222-W833 HydrophobicContact CH2-CZ2 4.25Å; W222-W833 HydrophobicContact CZ2-CH2 4.37Å; W222-W833 AromaticContact CZ3-CH2 3.56Å; W222-W833 HydrophobicContact CZ3-CH2 3.56Å; W222-W833 AromaticContact CZ3-CZ2 3.43Å; W222-W833 HydrophobicContact CZ3-CZ2 3.43Å; W222-W833 VanDerWaalsContact CZ3-CZ2 3.43Å; L238-W833 HydrophobicContact CD2-CZ2 4.31Å; L829-W833 VanDerWaalsContact O-CB 3.29Å; L829-W833 WeakPolarHBondContact O-CB 3.38Å; L829-W833 PolarHBondContact O-N 3.2Å; Y830-W833 AromaticContact CD2-CE3 3.9Å; Y830-W833 HydrophobicContact CD2-CE3 3.96Å; Y830-W833 AromaticContact CD2-CZ3 3.77Å; Y830-W833 HydrophobicContact CD2-CZ3 4.21Å; Y830-W833 AromaticContact CE2-CE3 3.9Å; Y830-W833 HydrophobicContact CE2-CE3 4Å; Y830-W833 AromaticContact CE2-CZ3 3.82Å; Y830-W833 HydrophobicContact CE2-CZ3 3.82Å; Y830-W833 PolarHBondContact O-N 3.2Å; W833-N835 VanDerWaalsContact C-N 3.28Å; W833-N835 PolarHBondContact O-N 3.06Å; W833-E836 PolarHBondContact O-N 3.08Å; W833-L837 HydrophobicContact CD2-CD1 3.97Å; W833-L837 HydrophobicContact CD2-CG 4.37Å; W833-L837 HydrophobicContact CE3-CD1 4.09Å; W833-L837 HydrophobicContact CH2-CD1 3.67Å; W833-L837 HydrophobicContact CZ2-CD1 3.52Å; W833-L837 HydrophobicContact CZ2-CG 4.23Å; W833-L837 HydrophobicContact CZ3-CD1 3.94Å; W833-L837 WeakPolarHBondContact O-CB 3.08Å; W833-L837 WeakPolarHBondContact O-CG 3.31Å; W833-L837 PolarHBondContact O-N 2.95Å; W833-L837 VanDerWaalsContact O-N 3.09Å
834	L	45.4	Very low	41.2	Very low	68.5 Å²	68.5	104.2 Å²	104.2	36%	0.359	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-26.8	172.5	-81.3	174.8	0	0	0	113.1	V217 Y830 L831 N832 L837	V217-L834 HydrophobicContact CG2-CD2 4.24Å; Y830-L834 HydrophobicContact CD1-CD1 3.87Å; Y830-L834 HydrophobicContact CD1-CG 4.43Å; Y830-L834 HydrophobicContact CD2-CG 4.47Å; Y830-L834 HydrophobicContact CE1-CD1 3.46Å; Y830-L834 VanDerWaalsContact CE1-CD1 3.48Å; Y830-L834 HydrophobicContact CE1-CG 4.15Å; Y830-L834 HydrophobicContact CE2-CD1 4.24Å; Y830-L834 HydrophobicContact CE2-CD2 4.47Å; Y830-L834 HydrophobicContact CE2-CG 4.19Å; Y830-L834 WeakPolarHBondContact O-CB 3.3Å; Y830-L834 WeakPolarHBondContact O-CD1 3.39Å; Y830-L834 WeakPolarHBondContact O-CG 3.34Å; Y830-L834 PolarHBondContact O-N 3.07Å; L831-L834 PolarHBondContact O-N 2.93Å; N832-L834 VanDerWaalsContact C-N 3.3Å; N832-L834 PolarHBondContact O-N 2.79Å; L834-L837 PolarHBondContact O-N 3.41Å
835	N	47.5	Very low	41.2	Very low	84 Å²	84	105 Å²	105	45%	0.449	55%	0.552	S	S	.	*	H	α-helix	trans	-82.4	-26.9	176.2	-70.4	-28.4	0	0	0	112.8	R213 L831 N832 W833 L837 N838	R213-N835 PolarHBondContact NH1-OD1 2.89Å; R213-N835 PolarHBondContact NH2-OD1 3.38Å; L831-N835 WeakPolarHBondContact O-CB 3.28Å; L831-N835 PolarHBondContact O-N 3.12Å; L831-N835 VanDerWaalsContact O-N 3.14Å; L831-N835 PolarHBondContact O-ND2 3.17Å; L831-N835 VanDerWaalsContact O-ND2 3.16Å; N832-N835 CarbonylContact O-C 3.5Å; N832-N835 WeakPolarHBondContact O-CB 3.27Å; N832-N835 PolarHBondContact O-N 3.19Å; N832-N835 VanDerWaalsContact O-N 3.12Å; W833-N835 VanDerWaalsContact C-N 3.28Å; W833-N835 PolarHBondContact O-N 3.06Å; N835-L837 VanDerWaalsContact C-N 3.32Å; N835-N838 CarbonylContact O-C 3.57Å; N835-N838 PolarHBondContact O-N 3.15Å
836	E	53.8	Low	40.8	Very low	144.5 Å²	144.5	109.6 Å²	109.6	68%	0.675	57%	0.566	S	S	*	*	H	α-helix	trans	-76.7	-31	178.2	-76	-173.2	160.3	0	0	113.9	N832 W833 N838	N832-E836 PolarHBondContact O-N 3.22Å; W833-E836 PolarHBondContact O-N 3.08Å; E836-N838 PolarHBondContact O-N 3.1Å; E836-N838 VanDerWaalsContact O-N 3.09Å
837	L	44.9	Very low	40.2	Very low	93.25 Å²	93.25	110.6 Å²	110.6	49%	0.488	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	0.1	-175.5	-75.3	178	0	0	0	115.3	W222 W833 L834 N835 P839	W222-L837 HydrophobicContact CB-CD1 4.4Å; W833-L837 HydrophobicContact CD2-CD1 3.97Å; W833-L837 HydrophobicContact CD2-CG 4.37Å; W833-L837 HydrophobicContact CE3-CD1 4.09Å; W833-L837 HydrophobicContact CH2-CD1 3.67Å; W833-L837 HydrophobicContact CZ2-CD1 3.52Å; W833-L837 HydrophobicContact CZ2-CG 4.23Å; W833-L837 HydrophobicContact CZ3-CD1 3.94Å; W833-L837 WeakPolarHBondContact O-CB 3.08Å; W833-L837 WeakPolarHBondContact O-CG 3.31Å; W833-L837 PolarHBondContact O-N 2.95Å; W833-L837 VanDerWaalsContact O-N 3.09Å; L834-L837 PolarHBondContact O-N 3.41Å; N835-L837 VanDerWaalsContact C-N 3.32Å; L837-P839 WeakPolarHBondContact O-CD 3.39Å
838	N	39.6	Very low	39.6	Very low	107 Å²	107	113.3 Å²	113.3	57%	0.572	58%	0.583	S	S	*	*			trans	-125.5	77.5	173.5	-102.6	-24.9	0	0	0	111.3	N835 E836 G840 Y841	N835-N838 CarbonylContact O-C 3.57Å; N835-N838 PolarHBondContact O-N 3.15Å; E836-N838 PolarHBondContact O-N 3.1Å; E836-N838 VanDerWaalsContact O-N 3.09Å; N838-G840 PolarHBondContact O-N 3.33Å; N838-G840 VanDerWaalsContact O-N 3.16Å; N838-Y841 PolarHBondContact O-N 3.15Å; N838-Y841 VanDerWaalsContact O-N 3.1Å
839	P	36.5	Very low	38.9	Very low	106.25 Å²	106.25	115.5 Å²	115.5	69%	0.69	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-81.1	-18.8	161.4	30.3	-31.9	0	0	0	113.4	L837 Y841 S843	L837-P839 WeakPolarHBondContact O-CD 3.39Å; P839-Y841 VanDerWaalsContact C-N 3.29Å; P839-Y841 PolarHBondContact O-N 3.07Å; P839-S843 WeakPolarHBondContact O-CB 3.37Å; P839-S843 PolarHBondContact O-N 3.02Å; P839-S843 VanDerWaalsContact O-N 3.15Å; P839-S843 PolarHBondContact O-OG 2.95Å
840	G	36.6	Very low	37.8	Very low	60.25 Å²	60.25	114.9 Å²	114.9	62%	0.621	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-87.8	-3	178.1	0	0	0	0	0	114.1	N838 N842	N838-G840 PolarHBondContact O-N 3.33Å; N838-G840 VanDerWaalsContact O-N 3.16Å; G840-N842 VanDerWaalsContact C-N 3.33Å; G840-N842 PolarHBondContact O-N 3.14Å
841	Y	30.2	Very low	36.9	Very low	162 Å²	162	119 Å²	119	64%	0.635	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-76.7	-2	177.3	-103.5	-94.8	0	0	0	116.5	N838 P839 N951 D952	N838-Y841 PolarHBondContact O-N 3.15Å; N838-Y841 VanDerWaalsContact O-N 3.1Å; P839-Y841 VanDerWaalsContact C-N 3.29Å; P839-Y841 PolarHBondContact O-N 3.07Å; Y841-N951 HydrophobicContact CD1-CB 3.35Å; Y841-N951 VanDerWaalsContact CD1-CG 3.41Å; Y841-N951 HydrophobicContact CE1-CB 3.88Å; Y841-N951 HydrophobicContact CG-CB 3.99Å; Y841-D952 HydrophobicContact CD1-CB 4.43Å; Y841-D952 HydrophobicContact CD2-CB 3.77Å; Y841-D952 VanDerWaalsContact CD2-OD2 3.26Å; Y841-D952 WeakPolarHBondContact CD2-OD2 3.41Å; Y841-D952 HydrophobicContact CE2-CB 3.97Å; Y841-D952 WeakPolarHBondContact CE2-OD1 3.41Å; Y841-D952 VanDerWaalsContact CE2-OD2 3.27Å; Y841-D952 WeakPolarHBondContact CE2-OD2 3.43Å; Y841-D952 HydrophobicContact CG-CB 4.03Å; Y841-D952 PolarHBondContact OH-OD1 3.14Å
842	N	31.2	Very low	35.7	Very low	106.75 Å²	106.75	121.6 Å²	121.6	57%	0.571	64%	0.636	S	S	*	*	H	α-helix	trans	-82.4	23.4	167.9	-71.9	-16.4	0	0	0	115.9	G840 M844 N845 L933 M949	G840-N842 VanDerWaalsContact C-N 3.33Å; G840-N842 PolarHBondContact O-N 3.14Å; N842-M844 VanDerWaalsContact C-N 3.29Å; N842-M844 PolarHBondContact O-N 3.05Å; N842-N845 PolarHBondContact O-N 2.7Å; N842-L933 WeakPolarHBondContact O-CD1 3.49Å; N842-L933 VanDerWaalsContact O-CD2 3.31Å; N842-L933 WeakPolarHBondContact O-CD2 3.32Å; N842-L933 VanDerWaalsContact O-CG 3.26Å; N842-L933 WeakPolarHBondContact O-CG 2.91Å; N842-M949 HydrophobicContact CB-CE 4.37Å; N842-M949 VanDerWaalsContact O-CE 3.3Å; N842-M949 WeakPolarHBondContact O-CE 3.49Å
843	S	29.8	Very low	34.5	Very low	81.75 Å²	81.75	122.7 Å²	122.7	57%	0.572	65%	0.646	S	S	*	*	S	Bend	trans	-108	18.2	174.4	-43.3	0	0	0	0	112	P839 N845 M949	P839-S843 WeakPolarHBondContact O-CB 3.37Å; P839-S843 PolarHBondContact O-N 3.02Å; P839-S843 VanDerWaalsContact O-N 3.15Å; P839-S843 PolarHBondContact O-OG 2.95Å; S843-N845 VanDerWaalsContact C-N 3.25Å; S843-N845 PolarHBondContact O-N 2.82Å; S843-M949 VanDerWaalsContact N-CE 3.28Å; S843-M949 WeakPolarHBondContact OG-CE 3.3Å
844	M	29	Very low	33.2	Very low	146.25 Å²	146.25	123.5 Å²	123.5	72%	0.72	66%	0.659	S	S	*	*	S	Bend	trans	-111.9	67.2	171	-130.2	68.4	148.3	0	0	113.9	N842 F929 Y930	N842-M844 VanDerWaalsContact C-N 3.29Å; N842-M844 PolarHBondContact O-N 3.05Å; M844-F929 HydrophobicContact CE-CD1 4.18Å; M844-F929 HydrophobicContact CE-CE1 3.93Å; M844-F929 HydrophobicContact CG-CD1 3.82Å; M844-F929 HydrophobicContact CG-CE1 4.26Å; M844-F929 HydrophobicContact SD-CD1 4.22Å; M844-F929 HydrophobicContact SD-CE1 4.04Å; M844-Y930 HydrophobicContact CB-CD1 4.18Å; M844-Y930 HydrophobicContact CB-CG 4.25Å; M844-Y930 HydrophobicContact CE-CD1 3.51Å; M844-Y930 HydrophobicContact CE-CD2 3.65Å; M844-Y930 HydrophobicContact CE-CE1 3.58Å; M844-Y930 HydrophobicContact CE-CE2 3.71Å; M844-Y930 HydrophobicContact CE-CG 3.56Å; M844-Y930 HydrophobicContact CG-CD1 4.21Å; M844-Y930 HydrophobicContact CG-CG 3.91Å
845	N	30.9	Very low	32.4	Very low	111.5 Å²	111.5	129.1 Å²	129.1	60%	0.596	68%	0.68	S	S	*	*			trans	-145.6	47.8	172	-88.6	-23.8	0	0	0	115.1	N842 S843 Y930	N842-N845 PolarHBondContact O-N 2.7Å; S843-N845 VanDerWaalsContact C-N 3.25Å; S843-N845 PolarHBondContact O-N 2.82Å; N845-Y930 VanDerWaalsContact ND2-C 3.33Å; N845-Y930 PolarHBondContact ND2-O 3.39Å; N845-Y930 WeakPolarHBondContact OD1-CB 3.48Å; N845-Y930 PolarHBondContact OD1-N 3.16Å
846	Q	29.3	Very low	31.3	Very low	163.5 Å²	163.5	133.2 Å²	133.2	76%	0.764	70%	0.696	S	S	*	*			trans	-102.8	74.1	155.3	-73.4	-176.9	5.7	0	0	113.1	D848 F929	Q846-D848 VanDerWaalsContact C-N 3.32Å; Q846-D848 PolarHBondContact O-N 3.33Å; Q846-F929 PolarHBondContact NE2-O 3.38Å
847	Q	28.7	Very low	30.2	Very low	172.5 Å²	172.5	135 Å²	135	81%	0.806	71%	0.705	S	S	*	*			trans	-117	94.8	172.8	-89.8	-172.6	-11.5	0	0	109.5	T849	Q847-T849 PolarHBondContact O-N 3.34Å
848	D	27.7	Very low	29.3	Very low	150.5 Å²	150.5	136.9 Å²	136.9	81%	0.805	72%	0.716	S	S	*	*			trans	-72.2	104.3	174.1	-79.4	-49.6	0	0	0	112.2	Q846 S850	Q846-D848 VanDerWaalsContact C-N 3.32Å; Q846-D848 PolarHBondContact O-N 3.33Å; D848-S850 PolarHBondContact O-N 2.91Å
849	T	28.5	Very low	28.7	Very low	126.5 Å²	126.5	141.5 Å²	141.5	78%	0.776	73%	0.726	S	S	*	*			trans	-100	76.3	165.9	32.7	0	0	0	0	110.7	Q847 Y851	Q847-T849 PolarHBondContact O-N 3.34Å; T849-Y851 PolarHBondContact O-N 2.9Å
850	S	25.9	Very low	28.2	Very low	102.75 Å²	102.75	143.3 Å²	143.3	72%	0.719	73%	0.728	S	S	*	*			trans	-97.4	81.3	147.8	66.8	0	0	0	0	111.9	D848 N852	D848-S850 PolarHBondContact O-N 2.91Å; S850-N852 PolarHBondContact O-N 3.32Å; S850-N852 VanDerWaalsContact O-N 3.1Å
851	Y	23.7	Very low	27.7	Very low	215 Å²	215	145.8 Å²	145.8	84%	0.843	74%	0.735	S	S	*	*			trans	-49.4	114.9	166.2	-75.9	-90.8	0	0	0	112.8	T849	T849-Y851 PolarHBondContact O-N 2.9Å
852	N	24.6	Very low	27.5	Very low	133.25 Å²	133.25	146.5 Å²	146.5	71%	0.713	74%	0.744	S	S	*	*			trans	-161.9	102	131.1	-158.7	6.5	0	0	0	112	S850 N854	S850-N852 PolarHBondContact O-N 3.32Å; S850-N852 VanDerWaalsContact O-N 3.1Å; N852-N854 VanDerWaalsContact C-N 3.32Å; N852-N854 PolarHBondContact O-N 3.43Å; N852-N854 VanDerWaalsContact O-N 3.09Å; N852-N854 PolarHBondContact OD1-ND2 2.91Å; N852-N854 VanDerWaalsContact OD1-ND2 3.1Å
853	V	26.9	Very low	27.2	Very low	124 Å²	124	146.5 Å²	146.5	75%	0.752	75%	0.753	S	S	*	*			trans	-71.6	84.9	162.4	-175.1	0	0	0	0	110.2
854	N	26.5	Very low	26.9	Very low	132.5 Å²	132.5	147.9 Å²	147.9	71%	0.709	76%	0.762	S	S	*	*			trans	-88.4	115.5	155.9	-87.9	-29.7	0	0	0	112.5	N852	N852-N854 VanDerWaalsContact C-N 3.32Å; N852-N854 PolarHBondContact O-N 3.43Å; N852-N854 VanDerWaalsContact O-N 3.09Å; N852-N854 PolarHBondContact OD1-ND2 2.91Å; N852-N854 VanDerWaalsContact OD1-ND2 3.1Å
855	K	28.8	Very low	26.7	Very low	186.25 Å²	186.25	147.7 Å²	147.7	81%	0.81	76%	0.763	S	S	*	*			trans	-34	126.8	156.3	-64.5	-179.7	176.6	-178.4	0	114.7
856	H	24.5	Very low	26.4	Very low	170.25 Å²	170.25	149.8 Å²	149.8	79%	0.788	77%	0.772	S	S	*	*			trans	-46.1	110.7	143.9	-93.8	-89.7	0	0	0	113.6	D858	H856-D858 IonicContact CE1-OD2 2.95Å; H856-D858 IonicContact ND1-OD2 3.3Å; H856-D858 PolarHBondContact ND1-OD2 3.2Å
857	E	29.8	Very low	26.2	Very low	183.25 Å²	183.25	148.2 Å²	148.2	86%	0.856	77%	0.768	S	S	*	*			trans	-126	107	143.6	-80.9	179	-179.7	0	0	108.6	Y859	E857-Y859 PolarHBondContact O-N 2.82Å
858	D	26.6	Very low	26.2	Very low	132.75 Å²	132.75	146.5 Å²	146.5	71%	0.71	76%	0.764	S	S	*	*			trans	-13.1	116	157.9	-65.4	-27.7	0	0	0	114.9	H856	H856-D858 IonicContact CE1-OD2 2.95Å; H856-D858 IonicContact ND1-OD2 3.3Å; H856-D858 PolarHBondContact ND1-OD2 3.2Å
859	Y	26.3	Very low	26.2	Very low	203.5 Å²	203.5	145.9 Å²	145.9	80%	0.798	77%	0.767	S	S	*	*			trans	179.3	130.1	139.5	-102.8	-116.4	0	0	0	113.7	E857	E857-Y859 PolarHBondContact O-N 2.82Å
860	M	27.1	Very low	26.1	Very low	145.25 Å²	145.25	143.3 Å²	143.3	72%	0.716	77%	0.765	S	S	*	*			trans	37.5	122.4	154.7	-66.5	-73.7	149.3	0	0	116.5	E862	M860-E862 PolarHBondContact O-N 3Å
861	S	24.8	Very low	26.1	Very low	110.75 Å²	110.75	146.2 Å²	146.2	77%	0.774	77%	0.771	S	S	*	*				-12.8	107	125.7	-61.3	0	0	0	0	114.8
862	E	26	Very low	26.1	Very low	178.25 Å²	178.25	144.7 Å²	144.7	83%	0.833	77%	0.772	S	S	*	*			trans	-148.1	124.1	144.3	-91.1	-174.6	170	0	0	113	M860	M860-E862 PolarHBondContact O-N 3Å
863	S	25.3	Very low	26.2	Very low	107.25 Å²	107.25	141.6 Å²	141.6	75%	0.75	77%	0.772	S	S	*	*			trans	65.3	102	136.1	-29.7	0	0	0	0	115.3
864	S	24.9	Very low	26.2	Very low	109.25 Å²	109.25	141.9 Å²	141.9	76%	0.764	77%	0.774	S	S	*	*				138.5	118.4	115.5	172.5	0	0	0	0	113.7
865	L	24.3	Very low	26.2	Very low	142 Å²	142	140.3 Å²	140.3	74%	0.743	77%	0.773	S	S	*	*				57.5	131.7	129	-129.3	95	0	0	0	113.3
866	M	24.6	Very low	26	Very low	157.5 Å²	157.5	137.7 Å²	137.7	78%	0.776	77%	0.772	S	S	*	*			trans	146.5	131.8	133.6	-86.2	-164.4	144.9	0	0	114
867	N	25.8	Very low	26	Very low	129 Å²	129	133.9 Å²	133.9	69%	0.69	77%	0.765	S	S	*	*				-133.3	132.2	106.6	-95	1.9	0	0	0	111.2
868	D	27.9	Very low	25.9	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	76%	0.762	S	S	*	*			trans	-120.8	117.4	143.4	-86.6	-35.4	0	0	0	111.8
869	T	27	Very low	25.9	Very low	139.5 Å²	139.5	132.5 Å²	132.5	86%	0.856	76%	0.763	S	S	*	*			trans	-55.2	124.4	149.4	43.6	0	0	0	0	112.8
870	G	27	Very low	25.8	Very low	72 Å²	72	129 Å²	129	74%	0.742	76%	0.757	S	S	*	*			trans	-142.4	111.6	-177.6	0	0	0	0	0	113.3	Q872	G870-Q872 PolarHBondContact O-N 3.23Å
871	L	26.1	Very low	25.7	Very low	162.25 Å²	162.25	127.9 Å²	127.9	85%	0.849	76%	0.758	S	S	*	*			trans	-60.4	136	160.7	-79.8	126.6	0	0	0	113.4
872	Q	24	Very low	25.7	Very low	184.25 Å²	184.25	128.3 Å²	128.3	86%	0.861	76%	0.756	S	S	*	*				-124.5	139.7	127.8	-96.1	160.3	-6	0	0	113.4	G870	G870-Q872 PolarHBondContact O-N 3.23Å
873	G	25.6	Very low	25.6	Very low	67.75 Å²	67.75	125.9 Å²	125.9	70%	0.698	75%	0.754	S	S	*	*				109.5	106.9	107.6	0	0	0	0	0	112.5
874	T	26.9	Very low	25.6	Very low	131 Å²	131	126.7 Å²	126.7	80%	0.804	75%	0.754	S	S	*	*				158	119.5	122.5	7.5	0	0	0	0	111.3
875	S	26.3	Very low	25.7	Very low	99.25 Å²	99.25	127.5 Å²	127.5	69%	0.694	76%	0.755	S	S	*	*				88.3	125.4	93.7	-3	0	0	0	0	117.7	S877	S875-S877 PolarHBondContact O-N 2.75Å
876	V	25.7	Very low	25.8	Very low	129.75 Å²	129.75	126.4 Å²	126.4	79%	0.786	76%	0.759	S	S	*	*				95.9	111.2	113.9	-177.9	0	0	0	0	116.3
877	S	24.5	Very low	26	Very low	91 Å²	91	122.2 Å²	122.2	64%	0.636	76%	0.756	S	S	*	*				72.3	132.9	118.8	82.9	0	0	0	0	117.3	S875	S875-S877 PolarHBondContact O-N 2.75Å
878	N	26.7	Very low	26	Very low	148.25 Å²	148.25	123.4 Å²	123.4	79%	0.793	76%	0.762	S	S	*	*			trans	61.5	130.8	136.8	-56	-24.1	0	0	0	117.4
879	L	26.7	Very low	26	Very low	138.5 Å²	138.5	123.4 Å²	123.4	73%	0.725	76%	0.761	S	S	*	*				-141.2	120.4	118.9	-164.7	68.6	0	0	0	113.2
880	I	23.9	Very low	26.1	Very low	130.5 Å²	130.5	123.6 Å²	123.6	67%	0.669	76%	0.757	S	S	*	*			trans	-5.9	132.7	143.9	-57.2	166.7	0	0	0	114.9	F1232	I880-F1232 HydrophobicContact CD1-CE2 3.65Å; I880-F1232 HydrophobicContact CD1-CZ 3.7Å; I880-F1232 HydrophobicContact CG1-CE2 4.18Å
881	T	24.7	Very low	26.2	Very low	122.25 Å²	122.25	126.1 Å²	126.1	75%	0.75	76%	0.758	S	S	*	*			trans	128.9	128.6	144	-38.6	0	0	0	0	115.4
882	T	25	Very low	26.2	Very low	119 Å²	119	125.7 Å²	125.7	73%	0.73	75%	0.751	S	S	*	*			trans	-123.4	130.9	144	-5.2	0	0	0	0	110.4
883	T	25.5	Very low	26.5	Very low	128.5 Å²	128.5	122.7 Å²	122.7	79%	0.788	75%	0.745	S	S	*	*			trans	133.7	130.2	142.8	15.9	0	0	0	0	114.7
884	T	25.5	Very low	26.7	Very low	122.5 Å²	122.5	124.8 Å²	124.8	75%	0.752	75%	0.745	S	S	*	*			trans	-93.4	149.7	164.9	52.7	0	0	0	0	112.8
885	T	25.1	Very low	26.8	Very low	127.5 Å²	127.5	125.8 Å²	125.8	78%	0.782	74%	0.74	S	S	*	*				174.1	140.9	69.9	-50.2	0	0	0	0	111.6
886	S	27.8	Very low	26.9	Very low	117.25 Å²	117.25	128.1 Å²	128.1	82%	0.82	74%	0.74	S	S	*	*			trans	102.4	139.1	150.3	85.2	0	0	0	0	116.2
887	G	27.8	Very low	27	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	74%	0.74	S	S	*	*			trans	120.4	96.8	147.6	0	0	0	0	0	115.2
888	N	26.5	Very low	27.3	Very low	153.75 Å²	153.75	132.1 Å²	132.1	82%	0.822	75%	0.745	S	S	*	*				63.4	143.9	114	-113.3	-0.8	0	0	0	117.3
889	I	28.3	Very low	27.6	Very low	137.5 Å²	137.5	132.5 Å²	132.5	71%	0.705	75%	0.746	S	S	*	*			trans	139.1	116.4	160	-55.2	169.1	0	0	0	113.7
890	N	27.8	Very low	27.8	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	75%	0.75	S	S	*	*			trans	115.4	123.1	136.6	-71.3	-11.2	0	0	0	115.7
891	V	29.5	Very low	28.1	Very low	126 Å²	126	134.8 Å²	134.8	76%	0.764	76%	0.759	S	S	*	*			trans	-156	133	135.2	156.1	0	0	0	0	110.9
892	E	27.4	Very low	28.4	Very low	153 Å²	153	138.1 Å²	138.1	72%	0.715	76%	0.763	S	S	*	*			trans	14.4	119.9	161.5	-70.9	-178	166.1	0	0	114.5	H1291 T1292	E892-H1291 WeakPolarHBondContact CG-O 3.49Å; E892-H1291 VanDerWaalsContact OE1-C 3.29Å; E892-H1291 IonicContact OE1-CE1 2.65Å; E892-H1291 PolarHBondContact OE1-CE1 2.69Å; E892-H1291 IonicContact OE1-CG 3.35Å; E892-H1291 IonicContact OE1-ND1 2.6Å; E892-H1291 PolarHBondContact OE1-ND1 2.63Å; E892-H1291 IonicContact OE2-CE1 3.81Å; E892-H1291 PolarHBondContact OE2-CE1 3.39Å; E892-H1291 IonicContact OE2-ND1 2.77Å; E892-H1291 PolarHBondContact OE2-ND1 3.34Å; E892-T1292 PolarHBondContact OE1-N 2.71Å
893	T	30.2	Very low	28.7	Very low	120.5 Å²	120.5	143.8 Å²	143.8	74%	0.739	77%	0.771	S	S	*	*			trans	-142.3	121.4	130.3	28.5	0	0	0	0	109.4	E895 T1290 H1291	T893-E895 PolarHBondContact O-N 3.44Å; T893-T1290 HydrophobicContact CG2-CG2 3.63Å; T893-H1291 HydrophobicContact CG2-CB 4.32Å
894	T	28.8	Very low	28.8	Very low	112.5 Å²	112.5	143.5 Å²	143.5	69%	0.69	77%	0.773	S	S	*	*			trans	-74.6	117.4	175.9	27.9	0	0	0	0	114.2	N1288 T1290	T894-N1288 VanDerWaalsContact CA-ND2 3.29Å; T894-N1288 WeakPolarHBondContact CA-ND2 3.46Å; T894-N1288 VanDerWaalsContact N-CG 3.27Å; T894-N1288 PolarHBondContact N-ND2 2.83Å; T894-N1288 PolarHBondContact N-OD1 3.05Å; T894-N1288 PolarHBondContact O-ND2 3.37Å; T894-T1290 HydrophobicContact CG2-CG2 3.97Å
895	E	28.8	Very low	29.3	Very low	151.25 Å²	151.25	143.3 Å²	143.3	71%	0.707	77%	0.773	S	S	*	*			trans	-127.4	120.8	164	-80.7	-176.6	178.9	0	0	112.8	T893 D1287 N1288 Q1289 T1290	T893-E895 PolarHBondContact O-N 3.44Å; E895-D1287 WeakPolarHBondContact CA-OD2 3.08Å; E895-D1287 PolarHBondContact N-OD2 3.49Å; E895-N1288 HydrophobicContact CG-CB 3.73Å; E895-N1288 PolarHBondContact N-ND2 2.94Å; E895-Q1289 HydrophobicContact CG-CG 4.41Å; E895-Q1289 WeakPolarHBondContact OE1-CG 3.47Å; E895-Q1289 PolarHBondContact OE1-NE2 3.44Å; E895-T1290 HydrophobicContact CG-CG2 4.1Å; E895-T1290 WeakPolarHBondContact OE1-CG2 3.37Å; E895-T1290 PolarHBondContact OE1-OG1 3.33Å
896	Q	28.8	Very low	29.5	Very low	148.75 Å²	148.75	143.9 Å²	143.9	70%	0.695	77%	0.772	S	S	*	*			trans	154.4	104.9	161.7	-73	179.5	-6.1	0	0	115.7	H898	Q896-H898 PolarHBondContact O-N 3.37Å; Q896-H898 VanDerWaalsContact O-N 3.16Å
897	N	28.4	Very low	29.6	Very low	143.25 Å²	143.25	147.3 Å²	147.3	77%	0.766	77%	0.772	S	S	*	*			trans	-85.4	86.1	147.3	-87.8	-52.5	0	0	0	114.8	L899 E1286	N897-L899 VanDerWaalsContact C-N 3.32Å; N897-L899 PolarHBondContact O-N 3.11Å; N897-L899 VanDerWaalsContact O-N 3.14Å; N897-E1286 PolarHBondContact ND2-OE2 2.82Å
898	H	30	Very low	29.8	Very low	160.75 Å²	160.75	152.5 Å²	152.5	74%	0.744	78%	0.778	S	S	*	*			trans	-72.1	113	155.3	-75.5	-65.7	0	0	0	112.3	Q896 L900	Q896-H898 PolarHBondContact O-N 3.37Å; Q896-H898 VanDerWaalsContact O-N 3.16Å; H898-L900 PolarHBondContact O-N 3.12Å
899	L	32.8	Very low	29.9	Very low	156.25 Å²	156.25	151.2 Å²	151.2	82%	0.818	77%	0.771	S	S	*	*			trans	-82.7	102.2	161.3	-80.3	121.8	0	0	0	110.6	N897 L901	N897-L899 VanDerWaalsContact C-N 3.32Å; N897-L899 PolarHBondContact O-N 3.11Å; N897-L899 VanDerWaalsContact O-N 3.14Å; L899-L901 PolarHBondContact O-N 3.14Å
900	L	31.2	Very low	29.9	Very low	154.75 Å²	154.75	151.5 Å²	151.5	81%	0.81	77%	0.773	S	S	*	*			trans	-68.5	107.1	146.5	-82.3	161.6	0	0	0	110.5	H898 K902	H898-L900 PolarHBondContact O-N 3.12Å; L900-K902 VanDerWaalsContact C-N 3.25Å; L900-K902 PolarHBondContact O-N 3.24Å
901	L	29.5	Very low	30	Very low	164.25 Å²	164.25	149.8 Å²	149.8	86%	0.86	77%	0.772	S	S	*	*			trans	-83.9	117.5	165.4	-92.4	154	0	0	0	109.8	L899 R903	L899-L901 PolarHBondContact O-N 3.14Å; L901-R903 VanDerWaalsContact C-N 3.27Å; L901-R903 PolarHBondContact O-N 3.13Å
902	K	32.4	Very low	30	Very low	191 Å²	191	154.2 Å²	154.2	83%	0.83	77%	0.774	S	S	*	*			trans	-73.6	117.6	-179.6	-75.1	-179.6	177.4	176	0	109.5	L900 C904	L900-K902 VanDerWaalsContact C-N 3.25Å; L900-K902 PolarHBondContact O-N 3.24Å; K902-C904 PolarHBondContact O-N 3.15Å; K902-C904 VanDerWaalsContact O-N 3.11Å
903	R	30.3	Very low	30	Very low	238 Å²	238	154.2 Å²	154.2	90%	0.898	78%	0.779	S	S	*	*			trans	-39.3	132.5	155.2	-74.8	-179	169.9	162.3	-3.1	111.8	L901 P905	L901-R903 VanDerWaalsContact C-N 3.27Å; L901-R903 PolarHBondContact O-N 3.13Å; R903-P905 WeakPolarHBondContact O-CD 3Å; R903-P905 VanDerWaalsContact O-N 3.1Å
904	C	28	Very low	30	Very low	123.25 Å²	123.25	153.3 Å²	153.3	83%	0.833	78%	0.777	S	S	*	*			trans	-81.4	132.6	164.5	-76.5	0	0	0	0	109.7	K902 N906	K902-C904 PolarHBondContact O-N 3.15Å; K902-C904 VanDerWaalsContact O-N 3.11Å; C904-N906 PolarHBondContact O-N 3.14Å; C904-N906 VanDerWaalsContact O-N 3.11Å
905	P	34.9	Very low	29.9	Very low	116.75 Å²	116.75	154 Å²	154	76%	0.758	78%	0.777	S	S	*	*			trans	-100.5	106.4	170.6	33.5	-26.6	0	0	0	111.1	R903	R903-P905 WeakPolarHBondContact O-CD 3Å; R903-P905 VanDerWaalsContact O-N 3.1Å
906	N	29.5	Very low	30	Very low	142 Å²	142	153.4 Å²	153.4	76%	0.759	78%	0.779	S	S	*	*			trans	-170.4	103.1	148.6	-104.6	-18.8	0	0	0	112	C904	C904-N906 PolarHBondContact O-N 3.14Å; C904-N906 VanDerWaalsContact O-N 3.11Å
907	F	30.2	Very low	30	Very low	187.75 Å²	187.75	152.5 Å²	152.5	82%	0.823	78%	0.779	S	S	*	*			trans	137.3	89.9	150.5	-77.1	-78	0	0	0	114	N909	F907-N909 PolarHBondContact O-N 3.09Å
908	E	32	Very low	30.1	Very low	178.25 Å²	178.25	152.1 Å²	152.1	83%	0.833	78%	0.776	S	S	*	*			trans	-54.2	120	147.7	-124.1	-179.7	168	0	0	111.6	I910	E908-I910 PolarHBondContact O-N 3.33Å
909	N	28.8	Very low	29.9	Very low	126.75 Å²	126.75	151.1 Å²	151.1	68%	0.678	78%	0.776	S	S	*	*			trans	112.3	77	155.3	-79.6	-43.4	0	0	0	115.5	F907 S911	F907-N909 PolarHBondContact O-N 3.09Å; N909-S911 VanDerWaalsContact C-N 3.27Å; N909-S911 PolarHBondContact O-N 2.88Å
910	I	28.9	Very low	29.7	Very low	144.75 Å²	144.75	149 Å²	149	74%	0.742	77%	0.765	S	S	*	*			trans	-87.7	50.7	147.5	-29.5	168.2	0	0	0	112.2	E908 R912 L913	E908-I910 PolarHBondContact O-N 3.33Å; I910-R912 PolarHBondContact O-N 3.04Å; I910-L913 HydrophobicContact CG2-CD1 3.82Å; I910-L913 HydrophobicContact CG2-CG 4.42Å; I910-L913 PolarHBondContact O-N 3.43Å
911	S	29.8	Very low	29.6	Very low	106.25 Å²	106.25	148.6 Å²	148.6	74%	0.743	76%	0.759	S	S	*	*			trans	-85.4	58.8	165.3	-57.7	0	0	0	0	114.6	N909	N909-S911 VanDerWaalsContact C-N 3.27Å; N909-S911 PolarHBondContact O-N 2.88Å
912	R	29	Very low	29.6	Very low	217.5 Å²	217.5	147.6 Å²	147.6	82%	0.821	75%	0.754	S	S	*	*			trans	-150.1	57.8	158.9	-78.8	176.7	176.4	-176.7	-0.7	114.6	I910	I910-R912 PolarHBondContact O-N 3.04Å
913	L	28.1	Very low	29.4	Very low	154 Å²	154	143.1 Å²	143.1	81%	0.806	74%	0.742	S	S	*	*	S	Bend	trans	-115	71.9	135.3	-74.9	170.6	0	0	0	112.8	I910	I910-L913 HydrophobicContact CG2-CD1 3.82Å; I910-L913 HydrophobicContact CG2-CG 4.42Å; I910-L913 PolarHBondContact O-N 3.43Å
914	S	30.7	Very low	29.5	Very low	100.5 Å²	100.5	139.4 Å²	139.4	70%	0.703	74%	0.735	S	S	*	*			trans	-130.7	116.8	172.2	121.8	0	0	0	0	110.5
915	N	26.6	Very low	29.7	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	73%	0.731	S	S	*	*			trans	131.2	97.9	154.4	-77.6	-4.5	0	0	0	113.5	L1403	N915-L1403 WeakPolarHBondContact ND2-CD2 3.26Å
916	N	29.3	Very low	29.5	Very low	138.25 Å²	138.25	141 Å²	141	74%	0.739	73%	0.729	S	S	*	*				-145.1	127.8	116.2	-114.1	-19.4	0	0	0	110.4	N918	N916-N918 PolarHBondContact O-N 3.28Å
917	N	29.2	Very low	29.6	Very low	129.75 Å²	129.75	141.9 Å²	141.9	69%	0.694	73%	0.728	S	S	*	*			trans	-4.4	86.2	161.6	-68	-22.2	0	0	0	118.3
918	N	30.8	Very low	29.7	Very low	133.5 Å²	133.5	137.3 Å²	137.3	71%	0.714	72%	0.72	S	S	*	*			trans	120.5	98.4	144	-64.6	-12.3	0	0	0	115.4	N916 I920	N916-N918 PolarHBondContact O-N 3.28Å; N918-I920 VanDerWaalsContact C-N 3.33Å; N918-I920 PolarHBondContact O-N 3.25Å
919	N	26.5	Very low	29.8	Very low	139.75 Å²	139.75	137 Å²	137	75%	0.747	72%	0.716	S	S	*	*			trans	15.6	115	143	-85.1	-18	0	0	0	116.9	N1506 Q1507	N919-N1506 CarbonylContact O-C 3.58Å; N919-N1506 VanDerWaalsContact O-CA 3.26Å; N919-N1506 WeakPolarHBondContact O-CA 3.07Å; N919-N1506 VanDerWaalsContact O-O 3.06Å; N919-Q1507 VanDerWaalsContact C-CA 3.46Å; N919-Q1507 WeakPolarHBondContact O-CA 3.48Å; N919-Q1507 PolarHBondContact O-N 2.68Å
920	I	28.3	Very low	30	Very low	112.75 Å²	112.75	139.3 Å²	139.3	58%	0.578	72%	0.716	S	S	*	*			trans	171.2	102.8	159.7	-54.1	151.8	0	0	0	113.2	N918 L922 L1505 N1506 Q1507	N918-I920 VanDerWaalsContact C-N 3.33Å; N918-I920 PolarHBondContact O-N 3.25Å; I920-L922 VanDerWaalsContact C-N 3.28Å; I920-L922 HydrophobicContact CG2-CG 4.31Å; I920-L922 PolarHBondContact O-N 3.16Å; I920-L1505 HydrophobicContact CB-CB 3.82Å; I920-L1505 HydrophobicContact CB-CD2 4.39Å; I920-L1505 HydrophobicContact CD1-CB 4.01Å; I920-L1505 HydrophobicContact CD1-CD2 3.48Å; I920-L1505 VanDerWaalsContact CD1-CD2 3.48Å; I920-L1505 HydrophobicContact CD1-CG 4.34Å; I920-L1505 HydrophobicContact CG1-CB 4.2Å; I920-L1505 HydrophobicContact CG1-CD2 3.84Å; I920-L1505 HydrophobicContact CG2-CB 3.75Å; I920-L1505 HydrophobicContact CG2-CD1 4.11Å; I920-L1505 HydrophobicContact CG2-CD2 4.35Å; I920-L1505 HydrophobicContact CG2-CG 4.26Å; I920-N1506 CarbonylContact O-C 3.43Å; I920-N1506 VanDerWaalsContact O-C 3.25Å; I920-N1506 WeakPolarHBondContact O-CA 3.37Å; I920-N1506 WeakPolarHBondContact O-CB 3.35Å; I920-N1506 PolarHBondContact O-OD1 3.23Å; I920-Q1507 VanDerWaalsContact C-CD 3.45Å; I920-Q1507 WeakPolarHBondContact O-CA 3.47Å; I920-Q1507 WeakPolarHBondContact O-CB 3.16Å; I920-Q1507 PolarHBondContact O-N 3.14Å
921	Q	27.8	Very low	30.2	Very low	146.75 Å²	146.75	138.2 Å²	138.2	69%	0.686	71%	0.708	S	S	*	*			trans	-4.7	104.9	158.1	-68.8	173.1	-14.9	0	0	114.9	T923 N1506 Q1507	Q921-T923 PolarHBondContact O-N 3.25Å; Q921-N1506 PolarHBondContact O-ND2 2.95Å; Q921-Q1507 VanDerWaalsContact CA-OE1 3.31Å; Q921-Q1507 VanDerWaalsContact O-CB 3.29Å; Q921-Q1507 WeakPolarHBondContact O-CB 3.29Å
922	L	29.7	Very low	30.2	Very low	143.5 Å²	143.5	135.8 Å²	135.8	75%	0.751	70%	0.7	S	S	*	*				-106.1	130.7	125.7	-92.8	170.3	0	0	0	112.3	I920 E924	I920-L922 VanDerWaalsContact C-N 3.28Å; I920-L922 HydrophobicContact CG2-CG 4.31Å; I920-L922 PolarHBondContact O-N 3.16Å; L922-E924 PolarHBondContact O-N 3.26Å; L922-E924 VanDerWaalsContact O-N 3.09Å
923	T	29.1	Very low	30.4	Very low	95.25 Å²	95.25	132.2 Å²	132.2	58%	0.584	70%	0.697	S	S	*	*			trans	10	122.7	170.3	5.8	0	0	0	0	113.6	Q921 K925	Q921-T923 PolarHBondContact O-N 3.25Å; T923-K925 PolarHBondContact O-N 3.43Å
924	E	32.5	Very low	30.7	Very low	160.75 Å²	160.75	132.1 Å²	132.1	75%	0.751	69%	0.694	S	S	*	*			trans	1.3	107.6	134.9	-65.2	172	135	0	0	113.1	L922 S926	L922-E924 PolarHBondContact O-N 3.26Å; L922-E924 VanDerWaalsContact O-N 3.09Å; E924-S926 VanDerWaalsContact C-N 3.32Å; E924-S926 PolarHBondContact O-N 3.14Å
925	K	32	Very low	30.8	Very low	170.25 Å²	170.25	135.3 Å²	135.3	74%	0.74	70%	0.698	S	S	*	*			trans	-122.1	112.6	138	-102.3	176.9	-177.7	179.2	0	109.1	T923 E927	T923-K925 PolarHBondContact O-N 3.43Å; K925-E927 PolarHBondContact O-N 3.07Å; K925-E927 VanDerWaalsContact O-N 3.09Å
926	S	31	Very low	30.9	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	71%	0.706	S	S	*	*			trans	-76.3	111.3	171.9	27.7	0	0	0	0	111.7	E924 S928	E924-S926 VanDerWaalsContact C-N 3.32Å; E924-S926 PolarHBondContact O-N 3.14Å; S926-S928 PolarHBondContact O-N 3.36Å
927	E	32.1	Very low	31	Very low	160.75 Å²	160.75	135.2 Å²	135.2	75%	0.751	70%	0.704	S	S	*	*			trans	-136.3	147.1	140.1	-101.9	154.1	168.6	0	0	110	K925 F929 Y1513	K925-E927 PolarHBondContact O-N 3.07Å; K925-E927 VanDerWaalsContact O-N 3.09Å; E927-F929 PolarHBondContact O-N 3.33Å; E927-F929 VanDerWaalsContact O-N 3.13Å; E927-Y1513 PolarHBondContact O-OH 3.37Å
928	S	31.9	Very low	31.1	Very low	91.25 Å²	91.25	137.6 Å²	137.6	64%	0.638	71%	0.711	S	S	*	*			trans	-172.8	96	154.5	53.7	0	0	0	0	115.2	S926 Y930 E931	S926-S928 PolarHBondContact O-N 3.36Å; S928-Y930 PolarHBondContact O-N 3.22Å; S928-Y930 VanDerWaalsContact O-N 3.16Å; S928-E931 PolarHBondContact O-N 3.29Å
929	F	34.5	Very low	31.1	Very low	173.5 Å²	173.5	138.3 Å²	138.3	76%	0.761	71%	0.713	S	S	*	*			trans	-105.7	34.5	162	-125	-99.4	0	0	0	112.9	M844 Q846 E927 E931	M844-F929 HydrophobicContact CE-CD1 4.18Å; M844-F929 HydrophobicContact CE-CE1 3.93Å; M844-F929 HydrophobicContact CG-CD1 3.82Å; M844-F929 HydrophobicContact CG-CE1 4.26Å; M844-F929 HydrophobicContact SD-CD1 4.22Å; M844-F929 HydrophobicContact SD-CE1 4.04Å; Q846-F929 PolarHBondContact NE2-O 3.38Å; E927-F929 PolarHBondContact O-N 3.33Å; E927-F929 VanDerWaalsContact O-N 3.13Å; F929-E931 HydrophobicContact CD1-CB 4.28Å; F929-E931 HydrophobicContact CE1-CB 3.97Å; F929-E931 WeakPolarHBondContact CE1-O 3.4Å; F929-E931 HydrophobicContact CZ-CB 4.15Å; F929-E931 PolarHBondContact O-N 3.01Å
930	Y	31.2	Very low	31.3	Very low	174.5 Å²	174.5	138.1 Å²	138.1	68%	0.684	71%	0.711	S	S	*	*			trans	-109.8	8.3	-174.3	-112.3	-81.2	0	0	0	112.3	M844 N845 S928	M844-Y930 HydrophobicContact CB-CD1 4.18Å; M844-Y930 HydrophobicContact CB-CG 4.25Å; M844-Y930 HydrophobicContact CE-CD1 3.51Å; M844-Y930 HydrophobicContact CE-CD2 3.65Å; M844-Y930 HydrophobicContact CE-CE1 3.58Å; M844-Y930 HydrophobicContact CE-CE2 3.71Å; M844-Y930 HydrophobicContact CE-CG 3.56Å; M844-Y930 HydrophobicContact CG-CD1 4.21Å; M844-Y930 HydrophobicContact CG-CG 3.91Å; N845-Y930 VanDerWaalsContact ND2-C 3.33Å; N845-Y930 PolarHBondContact ND2-O 3.39Å; N845-Y930 WeakPolarHBondContact OD1-CB 3.48Å; N845-Y930 PolarHBondContact OD1-N 3.16Å; S928-Y930 PolarHBondContact O-N 3.22Å; S928-Y930 VanDerWaalsContact O-N 3.16Å
931	E	33.7	Very low	31.5	Very low	120.5 Å²	120.5	138.9 Å²	138.9	56%	0.563	72%	0.716	S	S	*	*			trans	-112.8	8.8	-171	-139	166.2	178.2	0	0	113.3	S928 F929 L933 E948 M949 N950	S928-E931 PolarHBondContact O-N 3.29Å; F929-E931 HydrophobicContact CD1-CB 4.28Å; F929-E931 HydrophobicContact CE1-CB 3.97Å; F929-E931 WeakPolarHBondContact CE1-O 3.4Å; F929-E931 HydrophobicContact CZ-CB 4.15Å; F929-E931 PolarHBondContact O-N 3.01Å; E931-L933 VanDerWaalsContact C-N 3.29Å; E931-L933 PolarHBondContact O-N 3.17Å; E931-E948 CarbonylContact C-O 3.55Å; E931-E948 VanDerWaalsContact C-O 3.31Å; E931-E948 WeakPolarHBondContact CA-O 3.33Å; E931-E948 WeakPolarHBondContact CB-O 3.12Å; E931-E948 WeakPolarHBondContact CG-O 3.26Å; E931-M949 HydrophobicContact CB-CB 4.43Å; E931-M949 HydrophobicContact CB-CE 4.17Å; E931-M949 HydrophobicContact CB-CG 3.8Å; E931-M949 HydrophobicContact CB-SD 3.96Å; E931-M949 VanDerWaalsContact OE1-CA 3.22Å; E931-M949 WeakPolarHBondContact OE1-CA 3.12Å; E931-N950 PolarHBondContact OE1-N 2.93Å; E931-N950 VanDerWaalsContact OE1-N 3.11Å; E931-N950 PolarHBondContact OE1-ND2 3.27Å
932	G	30.2	Very low	31.7	Very low	56 Å²	56	138.6 Å²	138.6	58%	0.577	72%	0.719	S	S	*	*	S	Bend	trans	-112.6	0.7	176.5	0	0	0	0	0	116.6	E948 M949	G932-E948 PolarHBondContact N-O 3.03Å; G932-E948 CarbonylContact O-C 3.46Å; G932-M949 VanDerWaalsContact N-CG 3.34Å; G932-M949 WeakPolarHBondContact O-CB 3.34Å; G932-M949 WeakPolarHBondContact O-CG 3.45Å
933	L	33.7	Very low	32	Very low	142.75 Å²	142.75	139.6 Å²	139.6	75%	0.747	72%	0.72	S	S	*	*	S	Bend	trans	-96.4	15.5	-167.7	-71.7	175.4	0	0	0	117.2	N842 E931 M949	N842-L933 WeakPolarHBondContact O-CD1 3.49Å; N842-L933 VanDerWaalsContact O-CD2 3.31Å; N842-L933 WeakPolarHBondContact O-CD2 3.32Å; N842-L933 VanDerWaalsContact O-CG 3.26Å; N842-L933 WeakPolarHBondContact O-CG 2.91Å; E931-L933 VanDerWaalsContact C-N 3.29Å; E931-L933 PolarHBondContact O-N 3.17Å; L933-M949 HydrophobicContact CD2-CE 4.38Å; L933-M949 HydrophobicContact CD2-CG 4.28Å; L933-M949 HydrophobicContact CD2-SD 4.26Å; L933-M949 HydrophobicContact CG-CG 4.43Å
934	M	32.6	Very low	32.3	Very low	152.75 Å²	152.75	143.1 Å²	143.1	75%	0.752	73%	0.727	S	S	*	*	S	Bend	trans	-89.7	30.7	178.5	-102.2	-135.6	-63.7	0	0	116.4	L936 S937	M934-L936 PolarHBondContact O-N 3.03Å; M934-S937 PolarHBondContact O-OG 3.35Å
935	Q	33.3	Very low	32.6	Very low	167.5 Å²	167.5	142.4 Å²	142.4	78%	0.783	72%	0.724	S	S	*	*	S	Bend	trans	-100.7	45.7	178	-94.5	178.8	23.1	0	0	114
936	L	30	Very low	32.9	Very low	166.75 Å²	166.75	141.5 Å²	141.5	87%	0.873	73%	0.727	S	S	*	*			trans	-134.3	48.3	145.6	-73.6	178	0	0	0	113.3	M934	M934-L936 PolarHBondContact O-N 3.03Å
937	S	31.2	Very low	33.3	Very low	98.5 Å²	98.5	143 Å²	143	69%	0.689	73%	0.727	S	S	*	*			trans	-128.7	63.3	156.5	60.8	0	0	0	0	112.8	M934 I940	M934-S937 PolarHBondContact O-OG 3.35Å; S937-I940 WeakPolarHBondContact O-CD1 3.37Å
938	E	30.5	Very low	33.6	Very low	178.75 Å²	178.75	143.1 Å²	143.1	84%	0.835	73%	0.727	S	S	*	*	S	Bend	trans	-143.7	94.1	166.4	-144.6	170.1	-164.5	0	0	112.4	I940	E938-I940 PolarHBondContact O-N 2.86Å
939	I	31.4	Very low	33.8	Very low	149.25 Å²	149.25	144.4 Å²	144.4	77%	0.765	72%	0.724	S	S	*	*			trans	138.3	77.1	163.1	-48.7	179.6	0	0	0	111.4	N941	I939-N941 PolarHBondContact O-N 3.45Å
940	I	30.6	Very low	33.9	Very low	134.5 Å²	134.5	142 Å²	142	69%	0.69	72%	0.719	S	S	*	*				-3.6	104.1	128.2	-65.8	166.5	0	0	0	111.1	S937 E938	S937-I940 WeakPolarHBondContact O-CD1 3.37Å; E938-I940 PolarHBondContact O-N 2.86Å
941	N	31.5	Very low	34.1	Very low	130.5 Å²	130.5	139.2 Å²	139.2	70%	0.698	72%	0.717	S	S	*	*			trans	140.8	121.4	136	-82.3	6.4	0	0	0	115.3	I939 E943	I939-N941 PolarHBondContact O-N 3.45Å; N941-E943 PolarHBondContact O-N 3.02Å
942	D	32.1	Very low	34.2	Very low	139.75 Å²	139.75	139.5 Å²	139.5	75%	0.747	72%	0.722	S	S	*	*			trans	50.3	123.7	141.4	-67.7	-26.8	0	0	0	115.1
943	E	35.8	Very low	34.3	Very low	164 Å²	164	142.3 Å²	142.3	77%	0.766	73%	0.728	S	S	*	*			trans	141.8	102.2	142.8	-75.9	-170	-175.5	0	0	114.2	N941 E945	N941-E943 PolarHBondContact O-N 3.02Å; E943-E945 VanDerWaalsContact C-N 3.34Å; E943-E945 PolarHBondContact O-N 3.13Å; E943-E945 VanDerWaalsContact O-N 3.07Å
944	K	36.8	Very low	34.4	Very low	169.75 Å²	169.75	141 Å²	141	74%	0.738	73%	0.728	S	S	*	*			trans	-34.5	122.4	138.9	-82.1	179	161.7	-169.7	0	113.9
945	E	37.8	Very low	34.5	Very low	145 Å²	145	139.9 Å²	139.9	68%	0.678	73%	0.73	S	S	*	*			trans	-113.9	112.7	159.3	-100.1	158.6	-164.2	0	0	111	E943 L947	E943-E945 VanDerWaalsContact C-N 3.34Å; E943-E945 PolarHBondContact O-N 3.13Å; E943-E945 VanDerWaalsContact O-N 3.07Å; E945-L947 HydrophobicContact CB-CD1 4.16Å; E945-L947 HydrophobicContact CG-CD1 4.05Å; E945-L947 PolarHBondContact O-N 3.17Å
946	D	38.2	Very low	34.7	Very low	151.25 Å²	151.25	140.8 Å²	140.8	81%	0.809	73%	0.731	S	S	*	*			trans	-103.6	94.5	144.1	-69.6	-32.3	0	0	0	113.1	E948	D946-E948 PolarHBondContact O-N 2.95Å
947	L	39.4	Very low	34.8	Very low	136 Å²	136	139 Å²	139	71%	0.712	73%	0.727	S	S	*	*			trans	-84.8	119.9	163.7	-81.2	117.4	0	0	0	112.5	E945 M949	E945-L947 HydrophobicContact CB-CD1 4.16Å; E945-L947 HydrophobicContact CG-CD1 4.05Å; E945-L947 PolarHBondContact O-N 3.17Å; L947-M949 HydrophobicContact CB-CG 4.47Å; L947-M949 PolarHBondContact O-N 3.27Å
948	E	39.8	Very low	35	Very low	162.25 Å²	162.25	145.4 Å²	145.4	76%	0.758	74%	0.736	S	S	*	*				-105.5	125.5	122.6	-155.1	168.3	-147.8	0	0	111.6	E931 G932 D946 N950	E931-E948 CarbonylContact C-O 3.55Å; E931-E948 VanDerWaalsContact C-O 3.31Å; E931-E948 WeakPolarHBondContact CA-O 3.33Å; E931-E948 WeakPolarHBondContact CB-O 3.12Å; E931-E948 WeakPolarHBondContact CG-O 3.26Å; G932-E948 PolarHBondContact N-O 3.03Å; G932-E948 CarbonylContact O-C 3.46Å; D946-E948 PolarHBondContact O-N 2.95Å; E948-N950 PolarHBondContact O-N 3.47Å
949	M	36.3	Very low	35	Very low	118.25 Å²	118.25	140.1 Å²	140.1	58%	0.583	73%	0.729	S	S	*	*			trans	-105.7	117.7	176.2	-86.3	-76.3	-93.3	0	0	110.8	N842 S843 E931 G932 L933 L947 N951	N842-M949 HydrophobicContact CB-CE 4.37Å; N842-M949 VanDerWaalsContact O-CE 3.3Å; N842-M949 WeakPolarHBondContact O-CE 3.49Å; S843-M949 VanDerWaalsContact N-CE 3.28Å; S843-M949 WeakPolarHBondContact OG-CE 3.3Å; E931-M949 HydrophobicContact CB-CB 4.43Å; E931-M949 HydrophobicContact CB-CE 4.17Å; E931-M949 HydrophobicContact CB-CG 3.8Å; E931-M949 HydrophobicContact CB-SD 3.96Å; E931-M949 VanDerWaalsContact OE1-CA 3.22Å; E931-M949 WeakPolarHBondContact OE1-CA 3.12Å; G932-M949 VanDerWaalsContact N-CG 3.34Å; G932-M949 WeakPolarHBondContact O-CB 3.34Å; G932-M949 WeakPolarHBondContact O-CG 3.45Å; L933-M949 HydrophobicContact CD2-CE 4.38Å; L933-M949 HydrophobicContact CD2-CG 4.28Å; L933-M949 HydrophobicContact CD2-SD 4.26Å; L933-M949 HydrophobicContact CG-CG 4.43Å; L947-M949 HydrophobicContact CB-CG 4.47Å; L947-M949 PolarHBondContact O-N 3.27Å; M949-N951 VanDerWaalsContact C-N 3.28Å; M949-N951 PolarHBondContact O-N 2.96Å; M949-N951 VanDerWaalsContact O-N 3.11Å
950	N	36.7	Very low	35	Very low	122.5 Å²	122.5	144.3 Å²	144.3	66%	0.655	74%	0.735	S	S	*	*			trans	-104.4	126.4	161.2	-77.1	-48.8	0	0	0	109.8	E931 E948 D952	E931-N950 PolarHBondContact OE1-N 2.93Å; E931-N950 VanDerWaalsContact OE1-N 3.11Å; E931-N950 PolarHBondContact OE1-ND2 3.27Å; E948-N950 PolarHBondContact O-N 3.47Å; N950-D952 PolarHBondContact O-N 2.9Å
951	N	34.5	Very low	35.2	Very low	117.5 Å²	117.5	145.7 Å²	145.7	63%	0.628	74%	0.739	S	S	*	*			trans	-103.6	105.9	163	-71.2	-62.3	0	0	0	109.7	Y841 M949 T953	Y841-N951 HydrophobicContact CD1-CB 3.35Å; Y841-N951 VanDerWaalsContact CD1-CG 3.41Å; Y841-N951 HydrophobicContact CE1-CB 3.88Å; Y841-N951 HydrophobicContact CG-CB 3.99Å; M949-N951 VanDerWaalsContact C-N 3.28Å; M949-N951 PolarHBondContact O-N 2.96Å; M949-N951 VanDerWaalsContact O-N 3.11Å; N951-T953 PolarHBondContact O-N 3.18Å; N951-T953 PolarHBondContact O-OG1 2.92Å
952	D	35	Very low	35.3	Very low	125.75 Å²	125.75	148.5 Å²	148.5	67%	0.672	75%	0.746	S	S	*	*			trans	-123.5	105.1	145.4	-108.1	-9.8	0	0	0	114.5	Y841 N950 P954	Y841-D952 HydrophobicContact CD1-CB 4.43Å; Y841-D952 HydrophobicContact CD2-CB 3.77Å; Y841-D952 VanDerWaalsContact CD2-OD2 3.26Å; Y841-D952 WeakPolarHBondContact CD2-OD2 3.41Å; Y841-D952 HydrophobicContact CE2-CB 3.97Å; Y841-D952 WeakPolarHBondContact CE2-OD1 3.41Å; Y841-D952 VanDerWaalsContact CE2-OD2 3.27Å; Y841-D952 WeakPolarHBondContact CE2-OD2 3.43Å; Y841-D952 HydrophobicContact CG-CB 4.03Å; Y841-D952 PolarHBondContact OH-OD1 3.14Å; N950-D952 PolarHBondContact O-N 2.9Å; D952-P954 WeakPolarHBondContact O-CD 3.27Å; D952-P954 VanDerWaalsContact O-N 3.12Å
953	T	32.5	Very low	35.3	Very low	114.25 Å²	114.25	152.9 Å²	152.9	70%	0.701	75%	0.752	S	S	*	*			trans	5.4	0	152.8	3.8	0	0	0	0	116.1	N951 T955	N951-T953 PolarHBondContact O-N 3.18Å; N951-T953 PolarHBondContact O-OG1 2.92Å; T953-T955 VanDerWaalsContact C-N 3.35Å; T953-T955 PolarHBondContact O-N 2.84Å; T953-T955 PolarHBondContact O-OG1 3.48Å
954	P	37.1	Very low	35.1	Very low	115.25 Å²	115.25	152.4 Å²	152.4	75%	0.748	75%	0.754	S	S	*	*				0	146.5	0	32.6	-29.4	0	0	0	113.2	D952 K956	D952-P954 WeakPolarHBondContact O-CD 3.27Å; D952-P954 VanDerWaalsContact O-N 3.12Å; P954-K956 PolarHBondContact O-N 3.04Å; P954-K956 VanDerWaalsContact O-N 3.12Å
955	T	33.5	Very low	34.8	Very low	131 Å²	131	155.2 Å²	155.2	80%	0.804	76%	0.76	S	S	*	*			trans	-107.6	130.3	171	-50.3	0	0	0	0	111.7	T953 V957	T953-T955 VanDerWaalsContact C-N 3.35Å; T953-T955 PolarHBondContact O-N 2.84Å; T953-T955 PolarHBondContact O-OG1 3.48Å; T955-V957 HydrophobicContact CG2-CG2 3.68Å; T955-V957 PolarHBondContact O-N 2.89Å
956	K	37.2	Very low	34.4	Very low	186.25 Å²	186.25	154.9 Å²	154.9	81%	0.81	76%	0.763	S	S	*	*			trans	-47.6	119.4	179.4	-95.1	174.3	178.3	175.4	0	115.1	P954 W958	P954-K956 PolarHBondContact O-N 3.04Å; P954-K956 VanDerWaalsContact O-N 3.12Å; K956-W958 PolarHBondContact O-N 3.06Å
957	V	32.7	Very low	34.1	Very low	127.75 Å²	127.75	156.4 Å²	156.4	77%	0.774	77%	0.765	S	S	*	*			trans	-90.9	134.1	171.3	178.9	0	0	0	0	109.7	T955 G959	T955-V957 HydrophobicContact CG2-CG2 3.68Å; T955-V957 PolarHBondContact O-N 2.89Å; V957-G959 PolarHBondContact O-N 3.15Å
958	W	34.5	Very low	33.6	Very low	233.25 Å²	233.25	156.7 Å²	156.7	88%	0.884	77%	0.766	S	S	*	*			trans	-109.9	110.5	163.9	-82.6	60.4	0	0	0	111.9	L831 K956 R960	L831-W958 HydrophobicContact CD1-CH2 3.87Å; L831-W958 HydrophobicContact CD1-CZ2 3.91Å; L831-W958 HydrophobicContact CD2-CZ2 3.95Å; K956-W958 PolarHBondContact O-N 3.06Å; W958-R960 PolarHBondContact O-N 3.38Å; W958-R960 VanDerWaalsContact O-N 3.14Å
959	G	30.9	Very low	33.2	Very low	67.25 Å²	67.25	153.6 Å²	153.6	69%	0.693	76%	0.761	S	S	*	*			trans	-9.1	109	158.3	0	0	0	0	0	116.6	V957 E961	V957-G959 PolarHBondContact O-N 3.15Å; G959-E961 PolarHBondContact O-N 3.44Å; G959-E961 VanDerWaalsContact O-N 3.14Å
960	R	32.1	Very low	32.8	Very low	237.75 Å²	237.75	154.8 Å²	154.8	90%	0.897	77%	0.771	S	S	*	*			trans	-79.3	79.9	168.8	-100.2	-178.7	-170.4	-136.8	2.4	116.3	W958	W958-R960 PolarHBondContact O-N 3.38Å; W958-R960 VanDerWaalsContact O-N 3.14Å
961	E	35.4	Very low	32.5	Very low	163.75 Å²	163.75	156.3 Å²	156.3	77%	0.765	78%	0.777	S	S	*	*			trans	-136.1	90.9	175.8	33	-170.4	166.4	0	0	113	G959	G959-E961 PolarHBondContact O-N 3.44Å; G959-E961 VanDerWaalsContact O-N 3.14Å
962	F	32.1	Very low	32.2	Very low	190 Å²	190	155.2 Å²	155.2	83%	0.833	78%	0.778	S	S	*	*			trans	-157.4	76.3	154.1	-95.2	-64.7	0	0	0	112.1
963	R	31.9	Very low	31.9	Very low	232 Å²	232	153.9 Å²	153.9	88%	0.875	78%	0.775	S	S	*	*	S	Bend	trans	-140.7	-7	160.4	-105.2	-156.5	-155.2	-113.9	1.3	115.2	R965	R963-R965 VanDerWaalsContact C-N 3.26Å; R963-R965 PolarHBondContact O-N 3.04Å; R963-R965 VanDerWaalsContact O-N 3.07Å
964	D	32.3	Very low	31.7	Very low	153.5 Å²	153.5	153.5 Å²	153.5	82%	0.821	78%	0.776	S	S	*	*	S	Bend	trans	-96.3	13.8	-179.4	-61.6	-19.2	0	0	0	116.9
965	R	29.9	Very low	31.4	Very low	228.25 Å²	228.25	154.5 Å²	154.5	86%	0.861	77%	0.774	S	S	*	*	S	Bend	trans	-140.6	66.4	167.5	-74.4	179.4	-173.4	-122.8	0.3	113	R963 Q967	R963-R965 VanDerWaalsContact C-N 3.26Å; R963-R965 PolarHBondContact O-N 3.04Å; R963-R965 VanDerWaalsContact O-N 3.07Å; R965-Q967 VanDerWaalsContact C-N 3.28Å; R965-Q967 PolarHBondContact O-N 3.21Å; R965-Q967 VanDerWaalsContact O-N 3.16Å
966	L	30.9	Very low	31.3	Very low	139.5 Å²	139.5	153.6 Å²	153.6	73%	0.73	77%	0.77	S	S	*	*			trans	-139.7	80.5	145	-86.9	165.7	0	0	0	110.4	I968	L966-I968 HydrophobicContact CB-CD1 4.44Å; L966-I968 HydrophobicContact CB-CG1 3.92Å; L966-I968 HydrophobicContact CD2-CB 4.22Å; L966-I968 HydrophobicContact CD2-CD1 3.86Å; L966-I968 HydrophobicContact CD2-CG1 3.93Å; L966-I968 HydrophobicContact CG-CG1 4.43Å; L966-I968 PolarHBondContact O-N 2.89Å
967	Q	30.4	Very low	31.1	Very low	182 Å²	182	149.3 Å²	149.3	85%	0.85	76%	0.764	S	S	*	*			trans	-46.7	108.5	136.5	-73.2	-178.3	-1.1	0	0	108.4	R965 S969	R965-Q967 VanDerWaalsContact C-N 3.28Å; R965-Q967 PolarHBondContact O-N 3.21Å; R965-Q967 VanDerWaalsContact O-N 3.16Å; Q967-S969 VanDerWaalsContact C-N 3.3Å; Q967-S969 PolarHBondContact O-N 3.44Å
968	I	30.8	Very low	31.2	Very low	143.5 Å²	143.5	149.2 Å²	149.2	74%	0.736	76%	0.759	S	S	*	*			trans	-101.2	124	162.8	-75.4	166	0	0	0	107.5	L966	L966-I968 HydrophobicContact CB-CD1 4.44Å; L966-I968 HydrophobicContact CB-CG1 3.92Å; L966-I968 HydrophobicContact CD2-CB 4.22Å; L966-I968 HydrophobicContact CD2-CD1 3.86Å; L966-I968 HydrophobicContact CD2-CG1 3.93Å; L966-I968 HydrophobicContact CG-CG1 4.43Å; L966-I968 PolarHBondContact O-N 2.89Å
969	S	29.9	Very low	31.4	Very low	95.5 Å²	95.5	144.7 Å²	144.7	67%	0.668	75%	0.752	S	S	*	*			trans	-76.2	136.1	171.9	46.7	0	0	0	0	110.4	Q967 I971	Q967-S969 VanDerWaalsContact C-N 3.3Å; Q967-S969 PolarHBondContact O-N 3.44Å; S969-I971 PolarHBondContact O-N 2.76Å
970	D	29	Very low	31.7	Very low	145.25 Å²	145.25	149.6 Å²	149.6	78%	0.777	75%	0.754	S	S	*	*			trans	2	121	160.1	-62.4	-42	0	0	0	115.8
971	I	30.1	Very low	32	Very low	152.25 Å²	152.25	143.4 Å²	143.4	78%	0.781	74%	0.739	S	S	*	*			trans	-178.8	96.9	149.8	-69.8	155.9	0	0	0	110.1	S969 T973	S969-I971 PolarHBondContact O-N 2.76Å; I971-T973 PolarHBondContact O-N 2.9Å
972	S	27.1	Very low	32.5	Very low	95 Å²	95	141.6 Å²	141.6	66%	0.664	73%	0.734	S	S	*	*			trans	-30.9	117.8	154.6	88.8	0	0	0	0	114.4	N1469	S972-N1469 PolarHBondContact O-ND2 3.46Å
973	T	29.2	Very low	33.1	Very low	99 Å²	99	137.4 Å²	137.4	61%	0.607	72%	0.72	S	S	*	*			trans	136.1	129.3	146.9	25.4	0	0	0	0	113.2	I971 I1466 L1467 S1468 N1469	I971-T973 PolarHBondContact O-N 2.9Å; T973-I1466 VanDerWaalsContact C-CG2 3.44Å; T973-I1466 VanDerWaalsContact CA-CG2 3.42Å; T973-L1467 VanDerWaalsContact CB-N 3.29Å; T973-S1468 VanDerWaalsContact CG2-N 3.28Å; T973-S1468 WeakPolarHBondContact CG2-OG 3.16Å; T973-S1468 PolarHBondContact OG1-O 3.26Å; T973-N1469 WeakPolarHBondContact OG1-CB 3.48Å; T973-N1469 VanDerWaalsContact OG1-CG 3.25Å; T973-N1469 PolarHBondContact OG1-N 3.34Å; T973-N1469 PolarHBondContact OG1-ND2 2.98Å; T973-N1469 VanDerWaalsContact OG1-ND2 3.15Å
974	C	29.3	Very low	33.9	Very low	104.5 Å²	104.5	132.9 Å²	132.9	71%	0.706	71%	0.706	S	S	*	*			trans	102.2	72.5	168.8	-61.8	0	0	0	0	116	P976 I1466 L1467 N1469	C974-P976 WeakPolarHBondContact O-CD 3.4Å; C974-I1466 CarbonylContact C-O 3.57Å; C974-I1466 WeakPolarHBondContact CA-O 3.49Å; C974-I1466 PolarHBondContact N-O 3.3Å; C974-L1467 HydrophobicContact CB-CD2 4.34Å; C974-N1469 PolarHBondContact SG-O 3.1Å
975	L	30.7	Very low	34.6	Very low	136.75 Å²	136.75	128.7 Å²	128.7	72%	0.716	69%	0.688	S	S	*	*			trans	-55.2	133.5	150.6	-84.3	152.6	0	0	0	111.1	S977 K1464 I1466 L1467	L975-S977 PolarHBondContact O-N 3.11Å; L975-K1464 HydrophobicContact CD1-CB 3.5Å; L975-K1464 HydrophobicContact CD1-CD 4.31Å; L975-K1464 HydrophobicContact CD1-CG 4Å; L975-K1464 HydrophobicContact CD2-CB 4.39Å; L975-K1464 HydrophobicContact CD2-CD 3.72Å; L975-K1464 HydrophobicContact CD2-CG 3.96Å; L975-K1464 HydrophobicContact CG-CB 3.82Å; L975-K1464 HydrophobicContact CG-CD 4.11Å; L975-K1464 HydrophobicContact CG-CG 3.78Å; L975-I1466 WeakPolarHBondContact CB-O 3.48Å; L975-I1466 PolarHBondContact N-O 2.8Å; L975-L1467 HydrophobicContact CB-CD1 3.85Å; L975-L1467 HydrophobicContact CB-CG 4.02Å; L975-L1467 HydrophobicContact CD1-CD1 4.37Å
976	P	31.5	Very low	35.5	Very low	111.75 Å²	111.75	123.2 Å²	123.2	73%	0.726	67%	0.672	S	S	*	*			trans	-93	144	147.1	12.4	-1.4	0	0	0	111.7	C974 N978	C974-P976 WeakPolarHBondContact O-CD 3.4Å; P976-N978 VanDerWaalsContact C-N 3.33Å; P976-N978 PolarHBondContact O-N 3.28Å
977	S	32.7	Very low	36.4	Very low	97.5 Å²	97.5	122.3 Å²	122.3	68%	0.682	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	35.9	-174.2	5.5	0	0	0	0	115.1	L975	L975-S977 PolarHBondContact O-N 3.11Å
978	N	34.6	Very low	37.6	Very low	124.25 Å²	124.25	118.9 Å²	118.9	66%	0.664	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	39	176.9	-75.5	13	0	0	0	113.6	P976 F980	P976-N978 VanDerWaalsContact C-N 3.33Å; P976-N978 PolarHBondContact O-N 3.28Å; N978-F980 PolarHBondContact O-N 3.28Å
979	L	38.3	Very low	38.6	Very low	139.5 Å²	139.5	116.7 Å²	116.7	73%	0.73	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	11.8	167.7	-151.8	79	0	0	0	112.3	D981	L979-D981 PolarHBondContact O-N 3.31Å
980	F	36.9	Very low	39.3	Very low	169.5 Å²	169.5	118.6 Å²	118.6	74%	0.743	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	9.2	-178.2	-79.1	-72.9	0	0	0	113.8	N978 I983	N978-F980 PolarHBondContact O-N 3.28Å; F980-I983 HydrophobicContact CD1-CD1 4.28Å; F980-I983 HydrophobicContact CE1-CD1 4.33Å
981	D	39.8	Very low	40.2	Very low	108 Å²	108	114.1 Å²	114.1	58%	0.578	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-16	177.7	-74	-45.5	0	0	0	113.2	L979 I983 K984 P985	L979-D981 PolarHBondContact O-N 3.31Å; D981-I983 VanDerWaalsContact C-N 3.32Å; D981-I983 PolarHBondContact O-N 2.92Å; D981-K984 PolarHBondContact O-N 3.44Å; D981-K984 WeakPolarHBondContact OD1-CE 3.28Å; D981-K984 IonicContact OD1-NZ 2.73Å; D981-K984 PolarHBondContact OD1-NZ 3.26Å; D981-P985 WeakPolarHBondContact O-CD 3.25Å
982	D	44.7	Very low	41.1	Very low	125.25 Å²	125.25	112 Å²	112	67%	0.67	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	6.9	179.4	-71.7	-25	0	0	0	113.7	K984 P985	D982-K984 PolarHBondContact O-N 2.83Å; D982-P985 WeakPolarHBondContact O-CD 3.42Å; D982-P985 WeakPolarHBondContact O-CG 3.22Å
983	I	45.1	Very low	42.2	Very low	102 Å²	102	112.9 Å²	112.9	52%	0.523	60%	0.6	S	S	.	*	H	α-helix	trans	-88.9	2.8	176.4	-52.7	176.3	0	0	0	111.2	F980 D981 E986 L987	F980-I983 HydrophobicContact CD1-CD1 4.28Å; F980-I983 HydrophobicContact CE1-CD1 4.33Å; D981-I983 VanDerWaalsContact C-N 3.32Å; D981-I983 PolarHBondContact O-N 2.92Å; I983-E986 WeakPolarHBondContact O-CB 3.29Å; I983-E986 PolarHBondContact O-N 3.06Å; I983-E986 VanDerWaalsContact O-N 3.14Å; I983-L987 HydrophobicContact CG2-CD1 4.39Å; I983-L987 PolarHBondContact O-N 2.89Å
984	K	48.2	Very low	43	Very low	137.5 Å²	137.5	115 Å²	115	60%	0.598	60%	0.601	S	S	*	*	H	α-helix	trans	-60.5	-39.7	173.1	-99.2	179.3	178.1	-174.3	0	112.9	D981 D982 E986 L987 E988	D981-K984 PolarHBondContact O-N 3.44Å; D981-K984 WeakPolarHBondContact OD1-CE 3.28Å; D981-K984 IonicContact OD1-NZ 2.73Å; D981-K984 PolarHBondContact OD1-NZ 3.26Å; D982-K984 PolarHBondContact O-N 2.83Å; K984-E986 VanDerWaalsContact C-N 3.31Å; K984-E986 PolarHBondContact O-N 3.31Å; K984-L987 PolarHBondContact O-N 3.05Å; K984-L987 VanDerWaalsContact O-N 3.16Å; K984-E988 VanDerWaalsContact CD-OE2 3.31Å; K984-E988 WeakPolarHBondContact CD-OE2 3.23Å; K984-E988 WeakPolarHBondContact CG-OE2 3.24Å; K984-E988 IonicContact NZ-OE1 3.16Å; K984-E988 PolarHBondContact NZ-OE1 3.29Å; K984-E988 IonicContact NZ-OE2 2.7Å; K984-E988 PolarHBondContact NZ-OE2 3.14Å; K984-E988 PolarHBondContact O-N 3.13Å; K984-E988 VanDerWaalsContact O-N 3.12Å
985	P	48.5	Very low	43.9	Very low	66.25 Å²	66.25	115 Å²	115	43%	0.43	59%	0.594	S	S	.	*	H	α-helix	trans	-65.3	-29.3	178.2	25	-34.1	0	0	0	112.1	D981 D982 L987 E988 I989	D981-P985 WeakPolarHBondContact O-CD 3.25Å; D982-P985 WeakPolarHBondContact O-CD 3.42Å; D982-P985 WeakPolarHBondContact O-CG 3.22Å; P985-L987 PolarHBondContact O-N 3.2Å; P985-E988 PolarHBondContact O-N 3.19Å; P985-I989 VanDerWaalsContact O-CB 3.26Å; P985-I989 WeakPolarHBondContact O-CB 3.28Å; P985-I989 WeakPolarHBondContact O-CD1 3.23Å; P985-I989 VanDerWaalsContact O-CG1 3.26Å; P985-I989 WeakPolarHBondContact O-CG1 3.25Å; P985-I989 PolarHBondContact O-N 3.31Å
986	E	47.2	Very low	44.5	Very low	112.5 Å²	112.5	112.3 Å²	112.3	53%	0.526	58%	0.583	S	S	.	*	H	α-helix	trans	-62.5	-41.8	176.9	-67.1	-171.6	147.7	0	0	111.9	I983 K984 E988 I989 W990	I983-E986 WeakPolarHBondContact O-CB 3.29Å; I983-E986 PolarHBondContact O-N 3.06Å; I983-E986 VanDerWaalsContact O-N 3.14Å; K984-E986 VanDerWaalsContact C-N 3.31Å; K984-E986 PolarHBondContact O-N 3.31Å; E986-E988 VanDerWaalsContact C-N 3.29Å; E986-E988 PolarHBondContact O-N 2.96Å; E986-I989 WeakPolarHBondContact O-CB 3.08Å; E986-I989 PolarHBondContact O-N 3.13Å; E986-I989 VanDerWaalsContact O-N 3.14Å; E986-W990 PolarHBondContact O-N 3.28Å
987	L	50.1	Low	45.6	Very low	121 Å²	121	109.9 Å²	109.9	63%	0.634	57%	0.569	S	S	*	*	H	α-helix	trans	-61.2	-34.9	174.4	-87.1	144.5	0	0	0	112.7	I983 K984 P985 W990 S991	I983-L987 HydrophobicContact CG2-CD1 4.39Å; I983-L987 PolarHBondContact O-N 2.89Å; K984-L987 PolarHBondContact O-N 3.05Å; K984-L987 VanDerWaalsContact O-N 3.16Å; P985-L987 PolarHBondContact O-N 3.2Å; L987-W990 PolarHBondContact O-N 2.97Å; L987-S991 WeakPolarHBondContact O-CB 3.13Å; L987-S991 PolarHBondContact O-N 3.18Å; L987-S991 PolarHBondContact O-OG 3.34Å
988	E	55.1	Low	46.9	Very low	109.5 Å²	109.5	112.6 Å²	112.6	51%	0.512	57%	0.571	S	S	.	*	H	α-helix	trans	-69.9	-37.2	175.6	-162.7	175.6	-172.3	0	0	111.6	K984 P985 E986 W990 S991 N992	K984-E988 VanDerWaalsContact CD-OE2 3.31Å; K984-E988 WeakPolarHBondContact CD-OE2 3.23Å; K984-E988 WeakPolarHBondContact CG-OE2 3.24Å; K984-E988 IonicContact NZ-OE1 3.16Å; K984-E988 PolarHBondContact NZ-OE1 3.29Å; K984-E988 IonicContact NZ-OE2 2.7Å; K984-E988 PolarHBondContact NZ-OE2 3.14Å; K984-E988 PolarHBondContact O-N 3.13Å; K984-E988 VanDerWaalsContact O-N 3.12Å; P985-E988 PolarHBondContact O-N 3.19Å; E986-E988 VanDerWaalsContact C-N 3.29Å; E986-E988 PolarHBondContact O-N 2.96Å; E988-W990 PolarHBondContact O-N 2.8Å; E988-S991 VanDerWaalsContact CA-OG 3.3Å; E988-S991 WeakPolarHBondContact CA-OG 3.37Å; E988-S991 PolarHBondContact O-N 3.08Å; E988-S991 PolarHBondContact O-OG 3.18Å; E988-S991 VanDerWaalsContact O-OG 3.06Å; E988-N992 VanDerWaalsContact O-CB 3.3Å; E988-N992 WeakPolarHBondContact O-CB 3.26Å; E988-N992 VanDerWaalsContact O-CG 3.27Å; E988-N992 PolarHBondContact O-N 3.09Å; E988-N992 PolarHBondContact O-ND2 3.1Å; E988-N992 VanDerWaalsContact O-ND2 3.08Å
989	I	52.8	Low	48.3	Very low	98.75 Å²	98.75	112.3 Å²	112.3	51%	0.506	57%	0.568	S	S	.	*	H	α-helix	trans	-65.5	-45.4	173.1	-67.1	165.6	0	0	0	110.5	P985 E986 S991 N992 L993	P985-I989 VanDerWaalsContact O-CB 3.26Å; P985-I989 WeakPolarHBondContact O-CB 3.28Å; P985-I989 WeakPolarHBondContact O-CD1 3.23Å; P985-I989 VanDerWaalsContact O-CG1 3.26Å; P985-I989 WeakPolarHBondContact O-CG1 3.25Å; P985-I989 PolarHBondContact O-N 3.31Å; E986-I989 WeakPolarHBondContact O-CB 3.08Å; E986-I989 PolarHBondContact O-N 3.13Å; E986-I989 VanDerWaalsContact O-N 3.14Å; I989-S991 VanDerWaalsContact C-N 3.29Å; I989-S991 PolarHBondContact O-N 3.17Å; I989-N992 CarbonylContact O-C 3.58Å; I989-N992 WeakPolarHBondContact O-CA 3.31Å; I989-N992 PolarHBondContact O-N 3Å; I989-N992 VanDerWaalsContact O-N 3.12Å; I989-L993 HydrophobicContact CG2-CD1 3.84Å; I989-L993 HydrophobicContact CG2-CG 4.33Å; I989-L993 WeakPolarHBondContact O-CB 3.44Å; I989-L993 VanDerWaalsContact O-CD1 3.31Å; I989-L993 WeakPolarHBondContact O-CD1 3.37Å; I989-L993 WeakPolarHBondContact O-CG 3.37Å; I989-L993 PolarHBondContact O-N 3.16Å
990	W	44.6	Very low	49.4	Very low	134 Å²	134	109.1 Å²	109.1	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-39.3	175.5	-73.2	112.6	0	0	0	112.2	E986 L987 E988 N992 L993 F994	E986-W990 PolarHBondContact O-N 3.28Å; L987-W990 PolarHBondContact O-N 2.97Å; E988-W990 PolarHBondContact O-N 2.8Å; W990-N992 VanDerWaalsContact C-N 3.32Å; W990-N992 PolarHBondContact O-N 3.05Å; W990-L993 HydrophobicContact CE3-CB 4.47Å; W990-L993 HydrophobicContact CE3-CD1 4.17Å; W990-L993 HydrophobicContact CZ3-CD1 4.24Å; W990-L993 PolarHBondContact O-N 3.05Å; W990-F994 AromaticContact CE3-CD2 3.92Å; W990-F994 HydrophobicContact CE3-CD2 4.08Å; W990-F994 AromaticContact CE3-CE2 3.58Å; W990-F994 HydrophobicContact CE3-CE2 3.58Å; W990-F994 HydrophobicContact CE3-CZ 4.49Å; W990-F994 HydrophobicContact CZ3-CD2 4.44Å; W990-F994 AromaticContact CZ3-CE2 3.71Å; W990-F994 HydrophobicContact CZ3-CE2 3.79Å; W990-F994 HydrophobicContact CZ3-CZ 4.34Å; W990-F994 VanDerWaalsContact O-CD2 3.3Å; W990-F994 WeakPolarHBondContact O-CD2 3.38Å; W990-F994 PolarHBondContact O-N 3.28Å; W990-F994 VanDerWaalsContact O-N 3.14Å
991	S	48.8	Very low	50.7	Low	50.5 Å²	50.5	103.5 Å²	103.5	35%	0.353	53%	0.534	S	S	.	.	H	α-helix	trans	-65.6	-35.8	173.1	43.3	0	0	0	0	112.1	L987 E988 I989 L993 F994 N995	L987-S991 WeakPolarHBondContact O-CB 3.13Å; L987-S991 PolarHBondContact O-N 3.18Å; L987-S991 PolarHBondContact O-OG 3.34Å; E988-S991 VanDerWaalsContact CA-OG 3.3Å; E988-S991 WeakPolarHBondContact CA-OG 3.37Å; E988-S991 PolarHBondContact O-N 3.08Å; E988-S991 PolarHBondContact O-OG 3.18Å; E988-S991 VanDerWaalsContact O-OG 3.06Å; I989-S991 VanDerWaalsContact C-N 3.29Å; I989-S991 PolarHBondContact O-N 3.17Å; S991-L993 PolarHBondContact O-N 3.48Å; S991-F994 PolarHBondContact O-N 3.01Å; S991-N995 WeakPolarHBondContact O-CA 3.37Å; S991-N995 WeakPolarHBondContact O-CB 3.33Å; S991-N995 PolarHBondContact O-N 3.29Å; S991-N995 PolarHBondContact O-ND2 3.36Å; S991-N995 VanDerWaalsContact O-ND2 3.13Å; S991-N995 PolarHBondContact O-OD1 3.2Å
992	N	48.4	Very low	51.8	Low	108.5 Å²	108.5	101.5 Å²	101.5	58%	0.58	52%	0.523	S	S	*	.	H	α-helix	trans	-77.3	-20.2	176.3	-73.1	-39.3	0	0	0	113.8	E988 I989 W990	E988-N992 VanDerWaalsContact O-CB 3.3Å; E988-N992 WeakPolarHBondContact O-CB 3.26Å; E988-N992 VanDerWaalsContact O-CG 3.27Å; E988-N992 PolarHBondContact O-N 3.09Å; E988-N992 PolarHBondContact O-ND2 3.1Å; E988-N992 VanDerWaalsContact O-ND2 3.08Å; I989-N992 CarbonylContact O-C 3.58Å; I989-N992 WeakPolarHBondContact O-CA 3.31Å; I989-N992 PolarHBondContact O-N 3Å; I989-N992 VanDerWaalsContact O-N 3.12Å; W990-N992 VanDerWaalsContact C-N 3.32Å; W990-N992 PolarHBondContact O-N 3.05Å
993	L	50.8	Low	53	Low	114.75 Å²	114.75	98.9 Å²	98.9	60%	0.601	51%	0.511	S	S	*	.	H	α-helix	trans	-81.2	-33.4	172.2	-82.7	146.6	0	0	0	112.7	I989 W990 S991	I989-L993 HydrophobicContact CG2-CD1 3.84Å; I989-L993 HydrophobicContact CG2-CG 4.33Å; I989-L993 WeakPolarHBondContact O-CB 3.44Å; I989-L993 VanDerWaalsContact O-CD1 3.31Å; I989-L993 WeakPolarHBondContact O-CD1 3.37Å; I989-L993 WeakPolarHBondContact O-CG 3.37Å; I989-L993 PolarHBondContact O-N 3.16Å; W990-L993 HydrophobicContact CE3-CB 4.47Å; W990-L993 HydrophobicContact CE3-CD1 4.17Å; W990-L993 HydrophobicContact CZ3-CD1 4.24Å; W990-L993 PolarHBondContact O-N 3.05Å; S991-L993 PolarHBondContact O-N 3.48Å
994	F	45.5	Very low	54.1	Low	142.75 Å²	142.75	96.8 Å²	96.8	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-108.4	-7	-176.9	-70.2	-71.9	0	0	0	114.9	W990 S991 T996	W990-F994 AromaticContact CE3-CD2 3.92Å; W990-F994 HydrophobicContact CE3-CD2 4.08Å; W990-F994 AromaticContact CE3-CE2 3.58Å; W990-F994 HydrophobicContact CE3-CE2 3.58Å; W990-F994 HydrophobicContact CE3-CZ 4.49Å; W990-F994 HydrophobicContact CZ3-CD2 4.44Å; W990-F994 AromaticContact CZ3-CE2 3.71Å; W990-F994 HydrophobicContact CZ3-CE2 3.79Å; W990-F994 HydrophobicContact CZ3-CZ 4.34Å; W990-F994 VanDerWaalsContact O-CD2 3.3Å; W990-F994 WeakPolarHBondContact O-CD2 3.38Å; W990-F994 PolarHBondContact O-N 3.28Å; W990-F994 VanDerWaalsContact O-N 3.14Å; S991-F994 PolarHBondContact O-N 3.01Å; F994-T996 PolarHBondContact O-N 3.22Å
995	N	47.7	Very low	55.3	Low	105.5 Å²	105.5	97 Å²	97	56%	0.564	51%	0.507	S	S	*	.	S	Bend	trans	-69.8	98	157.3	-75.6	-23.2	0	0	0	107	S991 S997	S991-N995 WeakPolarHBondContact O-CA 3.37Å; S991-N995 WeakPolarHBondContact O-CB 3.33Å; S991-N995 PolarHBondContact O-N 3.29Å; S991-N995 PolarHBondContact O-ND2 3.36Å; S991-N995 VanDerWaalsContact O-ND2 3.13Å; S991-N995 PolarHBondContact O-OD1 3.2Å; N995-S997 PolarHBondContact O-N 3.06Å; N995-S997 VanDerWaalsContact O-N 3.12Å
996	T	44.4	Very low	56.7	Low	79 Å²	79	98.7 Å²	98.7	49%	0.485	51%	0.509	S	S	.	.			trans	-48.2	114.8	162.6	51.3	0	0	0	0	107.2	F994 E998 V1000 V1001 Y1235	F994-T996 PolarHBondContact O-N 3.22Å; T996-E998 PolarHBondContact O-N 3.19Å; T996-V1000 HydrophobicContact CG2-CG1 4.35Å; T996-V1001 WeakPolarHBondContact O-CG2 3.18Å; T996-V1001 WeakPolarHBondContact OG1-CG2 3.39Å; T996-Y1235 VanDerWaalsContact CB-CE1 3.45Å; T996-Y1235 HydrophobicContact CG2-CD1 3.31Å; T996-Y1235 HydrophobicContact CG2-CD2 4.04Å; T996-Y1235 HydrophobicContact CG2-CE1 3.37Å; T996-Y1235 HydrophobicContact CG2-CE2 4.09Å; T996-Y1235 HydrophobicContact CG2-CG 3.61Å
997	S	53.4	Low	58.1	Low	61.5 Å²	61.5	97 Å²	97	43%	0.43	51%	0.506	S	S	.	.			trans	-52.7	140.6	-176.3	61.3	0	0	0	0	109	N995 I999 V1000 V1001	N995-S997 PolarHBondContact O-N 3.06Å; N995-S997 VanDerWaalsContact O-N 3.12Å; S997-I999 PolarHBondContact O-N 3.26Å; S997-I999 VanDerWaalsContact O-N 3.08Å; S997-I999 WeakPolarHBondContact OG-CG2 3.45Å; S997-V1000 WeakPolarHBondContact O-CA 3.4Å; S997-V1000 PolarHBondContact O-N 3.01Å; S997-V1000 WeakPolarHBondContact OG-CG2 3.25Å; S997-V1000 PolarHBondContact OG-N 2.73Å; S997-V1001 PolarHBondContact O-N 3.16Å
998	E	60.8	Low	59.3	Low	154.75 Å²	154.75	94.2 Å²	94.2	72%	0.723	50%	0.496	S	S	*	.	H	α-helix	trans	-48.7	-35	-178.2	-168	167.8	-160.4	0	0	111.4	T996 V1000 V1001 D1002	T996-E998 PolarHBondContact O-N 3.19Å; E998-V1000 VanDerWaalsContact C-N 3.35Å; E998-V1000 PolarHBondContact O-N 2.9Å; E998-V1001 PolarHBondContact O-N 3.07Å; E998-V1001 VanDerWaalsContact O-N 3.16Å; E998-D1002 WeakPolarHBondContact O-CA 3.41Å; E998-D1002 VanDerWaalsContact O-CB 3.29Å; E998-D1002 WeakPolarHBondContact O-CB 3.36Å; E998-D1002 PolarHBondContact O-N 3.09Å
999	I	63	Low	60.2	Low	117 Å²	117	91.9 Å²	91.9	60%	0.6	49%	0.49	S	S	*	.	H	α-helix	trans	-58.5	-37.7	173.1	-104.6	159.9	0	0	0	114.7	S997 T1003	S997-I999 PolarHBondContact O-N 3.26Å; S997-I999 VanDerWaalsContact O-N 3.08Å; S997-I999 WeakPolarHBondContact OG-CG2 3.45Å; I999-T1003 HydrophobicContact CG2-CG2 4.49Å; I999-T1003 VanDerWaalsContact O-CB 3.28Å; I999-T1003 WeakPolarHBondContact O-CB 3.33Å; I999-T1003 VanDerWaalsContact O-CG2 3.3Å; I999-T1003 WeakPolarHBondContact O-CG2 3.37Å; I999-T1003 PolarHBondContact O-N 3.11Å; I999-T1003 PolarHBondContact O-OG1 3.02Å
1000	V	61.3	Low	61.3	Low	72.5 Å²	72.5	91.4 Å²	91.4	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-76	-36.3	178.2	177.6	0	0	0	0	110.6	T996 S997 E998 T1003 A1004 Y1235	T996-V1000 HydrophobicContact CG2-CG1 4.35Å; S997-V1000 WeakPolarHBondContact O-CA 3.4Å; S997-V1000 PolarHBondContact O-N 3.01Å; S997-V1000 WeakPolarHBondContact OG-CG2 3.25Å; S997-V1000 PolarHBondContact OG-N 2.73Å; E998-V1000 VanDerWaalsContact C-N 3.35Å; E998-V1000 PolarHBondContact O-N 2.9Å; V1000-T1003 WeakPolarHBondContact CA-OG1 3.28Å; V1000-T1003 PolarHBondContact O-N 3.39Å; V1000-T1003 PolarHBondContact O-OG1 3.23Å; V1000-A1004 VanDerWaalsContact O-CB 3.3Å; V1000-A1004 WeakPolarHBondContact O-CB 3.39Å; V1000-A1004 PolarHBondContact O-N 2.98Å; V1000-A1004 VanDerWaalsContact O-N 3.14Å; V1000-Y1235 HydrophobicContact CB-CE1 4.06Å; V1000-Y1235 WeakPolarHBondContact CB-OH 3.2Å; V1000-Y1235 HydrophobicContact CG1-CE1 3.78Å; V1000-Y1235 WeakPolarHBondContact CG1-OH 3.4Å; V1000-Y1235 PolarHBondContact O-OH 3.49Å
1001	V	65.3	Low	62.7	Low	53 Å²	53	90 Å²	90	32%	0.321	49%	0.487	S	S	.	.	H	α-helix	trans	-67.7	-40.9	173.3	-178.1	0	0	0	0	110.6	T996 S997 E998 A1004 R1005 Y1235	T996-V1001 WeakPolarHBondContact O-CG2 3.18Å; T996-V1001 WeakPolarHBondContact OG1-CG2 3.39Å; S997-V1001 PolarHBondContact O-N 3.16Å; E998-V1001 PolarHBondContact O-N 3.07Å; E998-V1001 VanDerWaalsContact O-N 3.16Å; V1001-A1004 PolarHBondContact O-N 3.36Å; V1001-R1005 VanDerWaalsContact O-CB 3.29Å; V1001-R1005 WeakPolarHBondContact O-CB 3.39Å; V1001-R1005 PolarHBondContact O-N 3.18Å; V1001-Y1235 PolarHBondContact N-OH 3.21Å
1002	D	61.8	Low	63.8	Low	65.2 Å²	65.2	92.4 Å²	92.4	35%	0.349	50%	0.496	S	S	.	.	H	α-helix	trans	-70.6	-40.5	178.5	-75.8	-13	0	0	0	112.1	E998 A1004 R1005 E1006	E998-D1002 WeakPolarHBondContact O-CA 3.41Å; E998-D1002 VanDerWaalsContact O-CB 3.29Å; E998-D1002 WeakPolarHBondContact O-CB 3.36Å; E998-D1002 PolarHBondContact O-N 3.09Å; D1002-A1004 VanDerWaalsContact C-N 3.34Å; D1002-A1004 PolarHBondContact O-N 3.01Å; D1002-R1005 CarbonylContact O-C 3.39Å; D1002-R1005 WeakPolarHBondContact O-CB 3.35Å; D1002-R1005 PolarHBondContact O-N 3.14Å; D1002-R1005 IonicContact OD1-CZ 3.17Å; D1002-R1005 IonicContact OD1-NH1 2.87Å; D1002-R1005 PolarHBondContact OD1-NH1 2.9Å; D1002-R1005 IonicContact OD1-NH2 2.93Å; D1002-R1005 PolarHBondContact OD1-NH2 3.26Å; D1002-R1005 IonicContact OD2-NH1 2.81Å; D1002-E1006 WeakPolarHBondContact O-CB 3.23Å; D1002-E1006 PolarHBondContact O-N 3.14Å
1003	T	70.9	Confident	64.8	Low	70 Å²	70	91.8 Å²	91.8	43%	0.429	49%	0.492	S	S	.	.	H	α-helix	trans	-66.9	-38.6	173.8	10.3	0	0	0	0	111.6	I999 V1000 R1005 E1006 V1007	I999-T1003 HydrophobicContact CG2-CG2 4.49Å; I999-T1003 VanDerWaalsContact O-CB 3.28Å; I999-T1003 WeakPolarHBondContact O-CB 3.33Å; I999-T1003 VanDerWaalsContact O-CG2 3.3Å; I999-T1003 WeakPolarHBondContact O-CG2 3.37Å; I999-T1003 PolarHBondContact O-N 3.11Å; I999-T1003 PolarHBondContact O-OG1 3.02Å; V1000-T1003 WeakPolarHBondContact CA-OG1 3.28Å; V1000-T1003 PolarHBondContact O-N 3.39Å; V1000-T1003 PolarHBondContact O-OG1 3.23Å; T1003-R1005 VanDerWaalsContact C-N 3.33Å; T1003-R1005 PolarHBondContact O-N 3.23Å; T1003-E1006 PolarHBondContact O-N 3.21Å; T1003-V1007 HydrophobicContact CG2-CG2 4.49Å; T1003-V1007 WeakPolarHBondContact O-CB 3.32Å; T1003-V1007 VanDerWaalsContact O-CG2 3.28Å; T1003-V1007 WeakPolarHBondContact O-CG2 3.19Å; T1003-V1007 PolarHBondContact O-N 3.31Å
1004	A	67.3	Low	65.4	Low	59 Å²	59	91.3 Å²	91.3	49%	0.488	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-37.8	172.5	0	0	0	0	0	112	V1000 V1001 D1002 V1007 S1008	V1000-A1004 VanDerWaalsContact O-CB 3.3Å; V1000-A1004 WeakPolarHBondContact O-CB 3.39Å; V1000-A1004 PolarHBondContact O-N 2.98Å; V1000-A1004 VanDerWaalsContact O-N 3.14Å; V1001-A1004 PolarHBondContact O-N 3.36Å; D1002-A1004 VanDerWaalsContact C-N 3.34Å; D1002-A1004 PolarHBondContact O-N 3.01Å; A1004-V1007 PolarHBondContact O-N 3.11Å; A1004-S1008 VanDerWaalsContact O-CB 3.27Å; A1004-S1008 WeakPolarHBondContact O-CB 3.44Å; A1004-S1008 PolarHBondContact O-N 3.09Å
1005	R	73.2	Confident	66	Low	142 Å²	142	87.8 Å²	87.8	54%	0.536	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-42.7	173.8	-168.9	-174.4	-55.9	144.7	8.9	111.6	V1001 D1002 T1003 S1008 T1009	V1001-R1005 VanDerWaalsContact O-CB 3.29Å; V1001-R1005 WeakPolarHBondContact O-CB 3.39Å; V1001-R1005 PolarHBondContact O-N 3.18Å; D1002-R1005 CarbonylContact O-C 3.39Å; D1002-R1005 WeakPolarHBondContact O-CB 3.35Å; D1002-R1005 PolarHBondContact O-N 3.14Å; D1002-R1005 IonicContact OD1-CZ 3.17Å; D1002-R1005 IonicContact OD1-NH1 2.87Å; D1002-R1005 PolarHBondContact OD1-NH1 2.9Å; D1002-R1005 IonicContact OD1-NH2 2.93Å; D1002-R1005 PolarHBondContact OD1-NH2 3.26Å; D1002-R1005 IonicContact OD2-NH1 2.81Å; T1003-R1005 VanDerWaalsContact C-N 3.33Å; T1003-R1005 PolarHBondContact O-N 3.23Å; R1005-S1008 CarbonylContact O-C 3.52Å; R1005-S1008 PolarHBondContact O-N 3.18Å; R1005-T1009 WeakPolarHBondContact O-CG2 3.35Å; R1005-T1009 PolarHBondContact O-N 2.91Å; R1005-T1009 PolarHBondContact O-OG1 3.06Å
1006	E	78.1	Confident	66.4	Low	100.8 Å²	100.8	86.8 Å²	86.8	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-48.1	176.5	-174.1	163.6	-172.9	0	0	111.2	D1002 T1003 S1008 T1009 Q1010	D1002-E1006 WeakPolarHBondContact O-CB 3.23Å; D1002-E1006 PolarHBondContact O-N 3.14Å; T1003-E1006 PolarHBondContact O-N 3.21Å; E1006-S1008 VanDerWaalsContact C-N 3.32Å; E1006-S1008 PolarHBondContact O-N 3.16Å; E1006-T1009 WeakPolarHBondContact CA-OG1 3.4Å; E1006-T1009 CarbonylContact O-C 3.19Å; E1006-T1009 PolarHBondContact O-N 3.08Å; E1006-T1009 VanDerWaalsContact O-N 3.14Å; E1006-T1009 PolarHBondContact O-OG1 3.26Å; E1006-Q1010 WeakPolarHBondContact O-CB 3.42Å; E1006-Q1010 VanDerWaalsContact O-CG 3.3Å; E1006-Q1010 WeakPolarHBondContact O-CG 3.36Å; E1006-Q1010 PolarHBondContact O-N 3.13Å; E1006-Q1010 PolarHBondContact OE1-NE2 3.13Å
1007	V	77.3	Confident	66.8	Low	76.6 Å²	76.6	88 Å²	88	46%	0.464	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-40.7	175.4	172.2	0	0	0	0	111.2	T1003 A1004 T1009 Q1010 L1011	T1003-V1007 HydrophobicContact CG2-CG2 4.49Å; T1003-V1007 WeakPolarHBondContact O-CB 3.32Å; T1003-V1007 VanDerWaalsContact O-CG2 3.28Å; T1003-V1007 WeakPolarHBondContact O-CG2 3.19Å; T1003-V1007 PolarHBondContact O-N 3.31Å; A1004-V1007 PolarHBondContact O-N 3.11Å; V1007-T1009 VanDerWaalsContact C-N 3.34Å; V1007-T1009 PolarHBondContact O-N 3.21Å; V1007-Q1010 PolarHBondContact O-N 2.97Å; V1007-L1011 HydrophobicContact CG1-CD1 4.1Å; V1007-L1011 HydrophobicContact CG1-CG 4.44Å; V1007-L1011 WeakPolarHBondContact O-CB 3.3Å; V1007-L1011 VanDerWaalsContact O-CG 3.32Å; V1007-L1011 WeakPolarHBondContact O-CG 3.42Å; V1007-L1011 PolarHBondContact O-N 3.11Å; V1007-L1011 VanDerWaalsContact O-N 3.09Å
1008	S	74.4	Confident	66.8	Low	61.6 Å²	61.6	91.7 Å²	91.7	43%	0.431	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-39.2	175.7	-178.1	0	0	0	0	112.5	A1004 R1005 E1006 L1011 N1012	A1004-S1008 VanDerWaalsContact O-CB 3.27Å; A1004-S1008 WeakPolarHBondContact O-CB 3.44Å; A1004-S1008 PolarHBondContact O-N 3.09Å; R1005-S1008 CarbonylContact O-C 3.52Å; R1005-S1008 PolarHBondContact O-N 3.18Å; E1006-S1008 VanDerWaalsContact C-N 3.32Å; E1006-S1008 PolarHBondContact O-N 3.16Å; S1008-L1011 PolarHBondContact O-N 3.1Å; S1008-N1012 WeakPolarHBondContact O-CB 3.42Å; S1008-N1012 PolarHBondContact O-N 3.12Å; S1008-N1012 VanDerWaalsContact O-N 3.15Å; S1008-N1012 PolarHBondContact O-ND2 2.81Å
1009	T	75.5	Confident	66.4	Low	62.4 Å²	62.4	90.2 Å²	90.2	38%	0.383	49%	0.487	S	S	.	.	H	α-helix	trans	-69.3	-37.3	174.6	49.5	0	0	0	0	112.4	R1005 E1006 V1007 L1011 N1012 L1013	R1005-T1009 WeakPolarHBondContact O-CG2 3.35Å; R1005-T1009 PolarHBondContact O-N 2.91Å; R1005-T1009 PolarHBondContact O-OG1 3.06Å; E1006-T1009 WeakPolarHBondContact CA-OG1 3.4Å; E1006-T1009 CarbonylContact O-C 3.19Å; E1006-T1009 PolarHBondContact O-N 3.08Å; E1006-T1009 VanDerWaalsContact O-N 3.14Å; E1006-T1009 PolarHBondContact O-OG1 3.26Å; V1007-T1009 VanDerWaalsContact C-N 3.34Å; V1007-T1009 PolarHBondContact O-N 3.21Å; T1009-L1011 VanDerWaalsContact C-N 3.32Å; T1009-L1011 PolarHBondContact O-N 3.05Å; T1009-N1012 PolarHBondContact O-N 3.18Å; T1009-L1013 VanDerWaalsContact O-CB 3.24Å; T1009-L1013 WeakPolarHBondContact O-CB 3.41Å; T1009-L1013 WeakPolarHBondContact O-CD1 3.28Å; T1009-L1013 VanDerWaalsContact O-CG 3.24Å; T1009-L1013 WeakPolarHBondContact O-CG 3.42Å; T1009-L1013 PolarHBondContact O-N 3.06Å; T1009-L1013 VanDerWaalsContact O-N 3.15Å
1010	Q	75.9	Confident	65.8	Low	88.2 Å²	88.2	89.5 Å²	89.5	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-40.6	174.5	-71.2	177.4	15.9	0	0	111.8	E1006 V1007 L1013 L1014	E1006-Q1010 WeakPolarHBondContact O-CB 3.42Å; E1006-Q1010 VanDerWaalsContact O-CG 3.3Å; E1006-Q1010 WeakPolarHBondContact O-CG 3.36Å; E1006-Q1010 PolarHBondContact O-N 3.13Å; E1006-Q1010 PolarHBondContact OE1-NE2 3.13Å; V1007-Q1010 PolarHBondContact O-N 2.97Å; Q1010-L1013 PolarHBondContact O-N 3.25Å; Q1010-L1014 WeakPolarHBondContact O-CB 3.46Å; Q1010-L1014 VanDerWaalsContact O-CG 3.28Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.4Å; Q1010-L1014 PolarHBondContact O-N 3.15Å; Q1010-L1014 VanDerWaalsContact O-N 3.11Å
1011	L	72.3	Confident	65.3	Low	105.2 Å²	105.2	91.4 Å²	91.4	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-66.8	-40.9	175.2	-72.2	171.9	0	0	0	112.6	V1007 S1008 T1009 L1013 L1014 S1015	V1007-L1011 HydrophobicContact CG1-CD1 4.1Å; V1007-L1011 HydrophobicContact CG1-CG 4.44Å; V1007-L1011 WeakPolarHBondContact O-CB 3.3Å; V1007-L1011 VanDerWaalsContact O-CG 3.32Å; V1007-L1011 WeakPolarHBondContact O-CG 3.42Å; V1007-L1011 PolarHBondContact O-N 3.11Å; V1007-L1011 VanDerWaalsContact O-N 3.09Å; S1008-L1011 PolarHBondContact O-N 3.1Å; T1009-L1011 VanDerWaalsContact C-N 3.32Å; T1009-L1011 PolarHBondContact O-N 3.05Å; L1011-L1013 VanDerWaalsContact C-N 3.32Å; L1011-L1013 PolarHBondContact O-N 3.13Å; L1011-L1014 HydrophobicContact CD2-CD1 4.48Å; L1011-L1014 PolarHBondContact O-N 3.17Å; L1011-S1015 WeakPolarHBondContact O-CB 3.36Å; L1011-S1015 PolarHBondContact O-N 3.07Å; L1011-S1015 PolarHBondContact O-OG 3.44Å
1012	N	72.7	Confident	64.7	Low	100.8 Å²	100.8	94.6 Å²	94.6	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-36.9	174.9	-82.5	-17.1	0	0	0	112.4	S1008 T1009 L1014 S1015 T1016	S1008-N1012 WeakPolarHBondContact O-CB 3.42Å; S1008-N1012 PolarHBondContact O-N 3.12Å; S1008-N1012 VanDerWaalsContact O-N 3.15Å; S1008-N1012 PolarHBondContact O-ND2 2.81Å; T1009-N1012 PolarHBondContact O-N 3.18Å; N1012-L1014 VanDerWaalsContact C-N 3.34Å; N1012-L1014 PolarHBondContact O-N 3.49Å; N1012-S1015 PolarHBondContact O-N 2.99Å; N1012-T1016 WeakPolarHBondContact O-CB 3.22Å; N1012-T1016 WeakPolarHBondContact O-CG2 3.3Å; N1012-T1016 PolarHBondContact O-N 3.26Å; N1012-T1016 PolarHBondContact O-OG1 3.1Å
1013	L	69.9	Low	64.3	Low	95.6 Å²	95.6	97 Å²	97	50%	0.501	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-39.9	175.4	-73.7	169.9	0	0	0	112.1	T1009 Q1010 L1011 S1015 T1016 L1017 Q1197	T1009-L1013 VanDerWaalsContact O-CB 3.24Å; T1009-L1013 WeakPolarHBondContact O-CB 3.41Å; T1009-L1013 WeakPolarHBondContact O-CD1 3.28Å; T1009-L1013 VanDerWaalsContact O-CG 3.24Å; T1009-L1013 WeakPolarHBondContact O-CG 3.42Å; T1009-L1013 PolarHBondContact O-N 3.06Å; T1009-L1013 VanDerWaalsContact O-N 3.15Å; Q1010-L1013 PolarHBondContact O-N 3.25Å; L1011-L1013 VanDerWaalsContact C-N 3.32Å; L1011-L1013 PolarHBondContact O-N 3.13Å; L1013-S1015 PolarHBondContact O-N 2.78Å; L1013-T1016 WeakPolarHBondContact CA-OG1 3.34Å; L1013-T1016 PolarHBondContact O-N 3.07Å; L1013-T1016 PolarHBondContact O-OG1 3.04Å; L1013-L1017 WeakPolarHBondContact O-CB 3.33Å; L1013-L1017 WeakPolarHBondContact O-CG 3.31Å; L1013-L1017 PolarHBondContact O-N 2.88Å; L1013-Q1197 HydrophobicContact CD1-CB 4.32Å
1014	L	63.6	Low	63.5	Low	104 Å²	104	101.2 Å²	101.2	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-44.2	173.6	-75.5	163.3	0	0	0	111.4	Q1010 L1011 N1012 T1016 L1017 E1018	Q1010-L1014 WeakPolarHBondContact O-CB 3.46Å; Q1010-L1014 VanDerWaalsContact O-CG 3.28Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.4Å; Q1010-L1014 PolarHBondContact O-N 3.15Å; Q1010-L1014 VanDerWaalsContact O-N 3.11Å; L1011-L1014 HydrophobicContact CD2-CD1 4.48Å; L1011-L1014 PolarHBondContact O-N 3.17Å; N1012-L1014 VanDerWaalsContact C-N 3.34Å; N1012-L1014 PolarHBondContact O-N 3.49Å; L1014-T1016 VanDerWaalsContact C-N 3.31Å; L1014-T1016 PolarHBondContact O-N 3.16Å; L1014-L1017 PolarHBondContact O-N 3.1Å; L1014-L1017 VanDerWaalsContact O-N 3.11Å; L1014-E1018 WeakPolarHBondContact O-CB 3.43Å; L1014-E1018 WeakPolarHBondContact O-CG 3.5Å; L1014-E1018 PolarHBondContact O-N 3.42Å
1015	S	57.8	Low	62.7	Low	69.8 Å²	69.8	104.3 Å²	104.3	49%	0.488	53%	0.533	S	S	.	.	H	α-helix	trans	-62.5	-34.1	178	-158	0	0	0	0	113.1	L1011 N1012 L1013 L1017 E1019	L1011-S1015 WeakPolarHBondContact O-CB 3.36Å; L1011-S1015 PolarHBondContact O-N 3.07Å; L1011-S1015 PolarHBondContact O-OG 3.44Å; N1012-S1015 PolarHBondContact O-N 2.99Å; L1013-S1015 PolarHBondContact O-N 2.78Å; S1015-L1017 VanDerWaalsContact C-N 3.33Å; S1015-E1019 WeakPolarHBondContact O-CB 3.36Å; S1015-E1019 PolarHBondContact O-N 3.25Å
1016	T	54.7	Low	61.8	Low	83 Å²	83	99.3 Å²	99.3	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-76.5	-26.3	177.7	49	0	0	0	0	113.5	N1012 L1013 L1014 D1020	N1012-T1016 WeakPolarHBondContact O-CB 3.22Å; N1012-T1016 WeakPolarHBondContact O-CG2 3.3Å; N1012-T1016 PolarHBondContact O-N 3.26Å; N1012-T1016 PolarHBondContact O-OG1 3.1Å; L1013-T1016 WeakPolarHBondContact CA-OG1 3.34Å; L1013-T1016 PolarHBondContact O-N 3.07Å; L1013-T1016 PolarHBondContact O-OG1 3.04Å; L1014-T1016 VanDerWaalsContact C-N 3.31Å; L1014-T1016 PolarHBondContact O-N 3.16Å; T1016-D1020 WeakPolarHBondContact O-CB 3.35Å; T1016-D1020 PolarHBondContact O-N 2.98Å; T1016-D1020 VanDerWaalsContact O-N 3.15Å
1017	L	54.5	Low	60.8	Low	104.8 Å²	104.8	99.6 Å²	99.6	55%	0.549	53%	0.53	S	S	.	.	H	α-helix	trans	-73.9	-39.2	176.3	-77.2	163.9	0	0	0	111.8	L1013 L1014 S1015 E1019 D1020 D1021	L1013-L1017 WeakPolarHBondContact O-CB 3.33Å; L1013-L1017 WeakPolarHBondContact O-CG 3.31Å; L1013-L1017 PolarHBondContact O-N 2.88Å; L1014-L1017 PolarHBondContact O-N 3.1Å; L1014-L1017 VanDerWaalsContact O-N 3.11Å; S1015-L1017 VanDerWaalsContact C-N 3.33Å; L1017-E1019 VanDerWaalsContact C-N 3.29Å; L1017-E1019 PolarHBondContact O-N 3.07Å; L1017-D1020 PolarHBondContact O-N 3.27Å; L1017-D1020 VanDerWaalsContact O-N 3.09Å; L1017-D1021 WeakPolarHBondContact O-CB 3.38Å; L1017-D1021 PolarHBondContact O-N 3.11Å
1018	E	53	Low	60	Low	138.4 Å²	138.4	101 Å²	101	65%	0.647	53%	0.532	S	S	*	.	H	α-helix	trans	-68.6	-31.3	177.4	-92.2	-178.7	168.6	0	0	112.8	L1014 D1020 I1022	L1014-E1018 WeakPolarHBondContact O-CB 3.43Å; L1014-E1018 WeakPolarHBondContact O-CG 3.5Å; L1014-E1018 PolarHBondContact O-N 3.42Å; E1018-D1020 PolarHBondContact O-N 2.76Å; E1018-I1022 HydrophobicContact CB-CD1 4.2Å; E1018-I1022 HydrophobicContact CG-CD1 4.2Å; E1018-I1022 WeakPolarHBondContact O-CB 3.25Å; E1018-I1022 VanDerWaalsContact O-CD1 3.27Å; E1018-I1022 WeakPolarHBondContact O-CD1 3.36Å; E1018-I1022 VanDerWaalsContact O-CG1 3.31Å; E1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; E1018-I1022 PolarHBondContact O-N 2.77Å
1019	E	52.7	Low	59.1	Low	124.8 Å²	124.8	105.4 Å²	105.4	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-76	-30.4	-178.4	-96.3	-150.9	-178.4	0	0	114.6	S1015 L1017 K1023	S1015-E1019 WeakPolarHBondContact O-CB 3.36Å; S1015-E1019 PolarHBondContact O-N 3.25Å; L1017-E1019 VanDerWaalsContact C-N 3.29Å; L1017-E1019 PolarHBondContact O-N 3.07Å; E1019-K1023 VanDerWaalsContact C-NZ 3.25Å; E1019-K1023 WeakPolarHBondContact O-CB 3.29Å; E1019-K1023 WeakPolarHBondContact O-CD 3.31Å; E1019-K1023 VanDerWaalsContact O-CE 3.32Å; E1019-K1023 WeakPolarHBondContact O-CE 3.28Å; E1019-K1023 VanDerWaalsContact O-CG 3.26Å; E1019-K1023 WeakPolarHBondContact O-CG 3.42Å; E1019-K1023 PolarHBondContact O-N 3.46Å; E1019-K1023 PolarHBondContact O-NZ 3.24Å; E1019-K1023 VanDerWaalsContact OE1-CE 3.26Å; E1019-K1023 WeakPolarHBondContact OE1-CE 3.34Å; E1019-K1023 IonicContact OE1-NZ 2.66Å; E1019-K1023 PolarHBondContact OE1-NZ 3.25Å; E1019-K1023 WeakPolarHBondContact OE2-CE 3.41Å; E1019-K1023 IonicContact OE2-NZ 3.15Å; E1019-K1023 PolarHBondContact OE2-NZ 2.97Å
1020	D	49.9	Very low	58.7	Low	101.6 Å²	101.6	109 Å²	109	54%	0.543	55%	0.549	S	S	.	.	H	α-helix	trans	-88.3	-37.3	-175.8	-82.7	-11.7	0	0	0	113	T1016 L1017 E1018 I1022 K1023 E1024 K1192	T1016-D1020 WeakPolarHBondContact O-CB 3.35Å; T1016-D1020 PolarHBondContact O-N 2.98Å; T1016-D1020 VanDerWaalsContact O-N 3.15Å; L1017-D1020 PolarHBondContact O-N 3.27Å; L1017-D1020 VanDerWaalsContact O-N 3.09Å; E1018-D1020 PolarHBondContact O-N 2.76Å; D1020-I1022 VanDerWaalsContact C-N 3.31Å; D1020-I1022 PolarHBondContact O-N 3.19Å; D1020-K1023 CarbonylContact O-C 3.57Å; D1020-K1023 WeakPolarHBondContact O-CA 3.25Å; D1020-K1023 WeakPolarHBondContact O-CB 3.4Å; D1020-K1023 PolarHBondContact O-N 3.18Å; D1020-K1023 VanDerWaalsContact O-N 3.08Å; D1020-K1023 IonicContact OD1-NZ 3.16Å; D1020-K1023 PolarHBondContact OD1-NZ 3.11Å; D1020-E1024 PolarHBondContact O-N 3.36Å; D1020-K1192 IonicContact OD2-NZ 3.67Å; D1020-K1192 PolarHBondContact OD2-NZ 3.3Å
1021	D	51	Low	58.3	Low	113.4 Å²	113.4	111.4 Å²	111.4	61%	0.606	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-36	179.4	-74.8	-15.7	0	0	0	112.2	L1017 K1023 E1024 E1025	L1017-D1021 WeakPolarHBondContact O-CB 3.38Å; L1017-D1021 PolarHBondContact O-N 3.11Å; D1021-K1023 VanDerWaalsContact C-N 3.35Å; D1021-K1023 PolarHBondContact O-N 3.34Å; D1021-E1024 PolarHBondContact O-N 3.26Å; D1021-E1025 WeakPolarHBondContact O-CB 3.34Å; D1021-E1025 PolarHBondContact O-N 3.19Å
1022	I	53	Low	58.3	Low	120.4 Å²	120.4	111.9 Å²	111.9	62%	0.617	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-28.3	178.9	-61.3	174.1	0	0	0	111.5	E1018 D1020 G1026	E1018-I1022 HydrophobicContact CB-CD1 4.2Å; E1018-I1022 HydrophobicContact CG-CD1 4.2Å; E1018-I1022 WeakPolarHBondContact O-CB 3.25Å; E1018-I1022 VanDerWaalsContact O-CD1 3.27Å; E1018-I1022 WeakPolarHBondContact O-CD1 3.36Å; E1018-I1022 VanDerWaalsContact O-CG1 3.31Å; E1018-I1022 WeakPolarHBondContact O-CG1 3.35Å; E1018-I1022 PolarHBondContact O-N 2.77Å; D1020-I1022 VanDerWaalsContact C-N 3.31Å; D1020-I1022 PolarHBondContact O-N 3.19Å; I1022-G1026 VanDerWaalsContact O-CA 3.23Å; I1022-G1026 WeakPolarHBondContact O-CA 3.41Å; I1022-G1026 PolarHBondContact O-N 3.18Å; I1022-G1026 VanDerWaalsContact O-N 3.09Å
1023	K	52.1	Low	58.1	Low	113.6 Å²	113.6	115.4 Å²	115.4	49%	0.494	56%	0.562	S	S	.	*	H	α-helix	trans	-76.7	-34.7	179.3	-72.1	176.4	-163.4	134.4	0	112.7	E1019 D1020 D1021 N1027	E1019-K1023 VanDerWaalsContact C-NZ 3.25Å; E1019-K1023 WeakPolarHBondContact O-CB 3.29Å; E1019-K1023 WeakPolarHBondContact O-CD 3.31Å; E1019-K1023 VanDerWaalsContact O-CE 3.32Å; E1019-K1023 WeakPolarHBondContact O-CE 3.28Å; E1019-K1023 VanDerWaalsContact O-CG 3.26Å; E1019-K1023 WeakPolarHBondContact O-CG 3.42Å; E1019-K1023 PolarHBondContact O-N 3.46Å; E1019-K1023 PolarHBondContact O-NZ 3.24Å; E1019-K1023 VanDerWaalsContact OE1-CE 3.26Å; E1019-K1023 WeakPolarHBondContact OE1-CE 3.34Å; E1019-K1023 IonicContact OE1-NZ 2.66Å; E1019-K1023 PolarHBondContact OE1-NZ 3.25Å; E1019-K1023 WeakPolarHBondContact OE2-CE 3.41Å; E1019-K1023 IonicContact OE2-NZ 3.15Å; E1019-K1023 PolarHBondContact OE2-NZ 2.97Å; D1020-K1023 CarbonylContact O-C 3.57Å; D1020-K1023 WeakPolarHBondContact O-CA 3.25Å; D1020-K1023 WeakPolarHBondContact O-CB 3.4Å; D1020-K1023 PolarHBondContact O-N 3.18Å; D1020-K1023 VanDerWaalsContact O-N 3.08Å; D1020-K1023 IonicContact OD1-NZ 3.16Å; D1020-K1023 PolarHBondContact OD1-NZ 3.11Å; D1021-K1023 VanDerWaalsContact C-N 3.35Å; D1021-K1023 PolarHBondContact O-N 3.34Å; K1023-N1027 VanDerWaalsContact O-CB 3.25Å; K1023-N1027 WeakPolarHBondContact O-CB 3.42Å; K1023-N1027 PolarHBondContact O-N 3.22Å; K1023-N1027 PolarHBondContact O-ND2 3.28Å; K1023-N1027 VanDerWaalsContact O-ND2 3.12Å
1024	E	53.8	Low	58.1	Low	159.8 Å²	159.8	116.1 Å²	116.1	75%	0.747	56%	0.563	S	S	*	*	H	α-helix	trans	-75.9	-46.2	177	-104.2	-158.8	152.5	0	0	111.8	D1020 D1021 G1026 N1027 E1028	D1020-E1024 PolarHBondContact O-N 3.36Å; D1021-E1024 PolarHBondContact O-N 3.26Å; E1024-G1026 PolarHBondContact O-N 3.33Å; E1024-N1027 PolarHBondContact O-N 3.16Å; E1024-N1027 VanDerWaalsContact O-N 3.14Å; E1024-E1028 PolarHBondContact O-N 3.18Å; E1024-E1028 VanDerWaalsContact O-N 3.1Å
1025	E	51.8	Low	58.6	Low	123.6 Å²	123.6	114.6 Å²	114.6	58%	0.578	56%	0.555	S	S	*	*	H	α-helix	trans	-63.3	-41.8	178.9	-118.4	-157	160.4	0	0	112.2	D1021 N1027 E1028 W1029	D1021-E1025 WeakPolarHBondContact O-CB 3.34Å; D1021-E1025 PolarHBondContact O-N 3.19Å; E1025-N1027 VanDerWaalsContact C-N 3.27Å; E1025-N1027 PolarHBondContact O-N 3.06Å; E1025-N1027 VanDerWaalsContact O-N 3.1Å; E1025-E1028 PolarHBondContact O-N 3.08Å; E1025-E1028 VanDerWaalsContact O-N 3.12Å; E1025-W1029 HydrophobicContact CG-CG 4.45Å; E1025-W1029 VanDerWaalsContact CG-NE1 3.32Å; E1025-W1029 WeakPolarHBondContact O-CB 3.35Å; E1025-W1029 VanDerWaalsContact O-CD1 3.31Å; E1025-W1029 PolarHBondContact O-N 3.15Å; E1025-W1029 VanDerWaalsContact O-N 3.15Å; E1025-W1029 PolarHBondContact OE1-NE1 2.89Å
1026	G	53	Low	59.3	Low	36.6 Å²	36.6	115 Å²	115	38%	0.377	55%	0.554	S	S	.	*	H	α-helix	trans	-61.2	-28.1	178.6	0	0	0	0	0	113.9	I1022 E1024 K1030	I1022-G1026 VanDerWaalsContact O-CA 3.23Å; I1022-G1026 WeakPolarHBondContact O-CA 3.41Å; I1022-G1026 PolarHBondContact O-N 3.18Å; I1022-G1026 VanDerWaalsContact O-N 3.09Å; E1024-G1026 PolarHBondContact O-N 3.33Å; G1026-K1030 WeakPolarHBondContact O-CB 3.46Å; G1026-K1030 WeakPolarHBondContact O-CD 3.39Å; G1026-K1030 WeakPolarHBondContact O-CG 3.38Å; G1026-K1030 PolarHBondContact O-N 2.91Å
1027	N	57.5	Low	60.2	Low	107.4 Å²	107.4	114.7 Å²	114.7	57%	0.574	55%	0.552	S	S	*	*	H	α-helix	trans	-81.7	-37.1	175.5	-74.5	-39.9	0	0	0	112.3	K1023 E1024 E1025 K1030 K1031	K1023-N1027 VanDerWaalsContact O-CB 3.25Å; K1023-N1027 WeakPolarHBondContact O-CB 3.42Å; K1023-N1027 PolarHBondContact O-N 3.22Å; K1023-N1027 PolarHBondContact O-ND2 3.28Å; K1023-N1027 VanDerWaalsContact O-ND2 3.12Å; E1024-N1027 PolarHBondContact O-N 3.16Å; E1024-N1027 VanDerWaalsContact O-N 3.14Å; E1025-N1027 VanDerWaalsContact C-N 3.27Å; E1025-N1027 PolarHBondContact O-N 3.06Å; E1025-N1027 VanDerWaalsContact O-N 3.1Å; N1027-K1030 PolarHBondContact O-N 3.28Å; N1027-K1031 VanDerWaalsContact O-CB 3.24Å; N1027-K1031 WeakPolarHBondContact O-CB 3.41Å; N1027-K1031 PolarHBondContact O-N 3.03Å; N1027-K1031 VanDerWaalsContact O-N 3.16Å
1028	E	60.4	Low	61	Low	105.8 Å²	105.8	116.1 Å²	116.1	49%	0.494	55%	0.551	S	S	.	*	H	α-helix	trans	-69.5	-40	178.9	-146	-149	170.5	0	0	112	E1024 E1025 K1030 K1031 K1032	E1024-E1028 PolarHBondContact O-N 3.18Å; E1024-E1028 VanDerWaalsContact O-N 3.1Å; E1025-E1028 PolarHBondContact O-N 3.08Å; E1025-E1028 VanDerWaalsContact O-N 3.12Å; E1028-K1030 VanDerWaalsContact C-N 3.34Å; E1028-K1030 PolarHBondContact O-N 2.97Å; E1028-K1031 CarbonylContact O-C 3.27Å; E1028-K1031 PolarHBondContact O-N 3.2Å; E1028-K1032 VanDerWaalsContact CD-CE 3.43Å; E1028-K1032 VanDerWaalsContact CD-NZ 3.27Å; E1028-K1032 WeakPolarHBondContact O-CB 3.37Å; E1028-K1032 WeakPolarHBondContact O-CG 3.31Å; E1028-K1032 PolarHBondContact O-N 3.13Å; E1028-K1032 WeakPolarHBondContact OE1-CE 3.36Å; E1028-K1032 IonicContact OE1-NZ 3.02Å; E1028-K1032 PolarHBondContact OE1-NZ 2.94Å; E1028-K1032 VanDerWaalsContact OE2-CE 3.25Å; E1028-K1032 WeakPolarHBondContact OE2-CE 3.36Å; E1028-K1032 IonicContact OE2-NZ 3.36Å; E1028-K1032 PolarHBondContact OE2-NZ 3.21Å
1029	W	57.1	Low	62	Low	154.2 Å²	154.2	115.8 Å²	115.8	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-64.3	-39	174.4	-85.7	88.2	0	0	0	112.9	E1025 K1032 R1033	E1025-W1029 HydrophobicContact CG-CG 4.45Å; E1025-W1029 VanDerWaalsContact CG-NE1 3.32Å; E1025-W1029 WeakPolarHBondContact O-CB 3.35Å; E1025-W1029 VanDerWaalsContact O-CD1 3.31Å; E1025-W1029 PolarHBondContact O-N 3.15Å; E1025-W1029 VanDerWaalsContact O-N 3.15Å; E1025-W1029 PolarHBondContact OE1-NE1 2.89Å; W1029-K1032 PolarHBondContact O-N 2.89Å; W1029-R1033 VanDerWaalsContact O-CB 3.29Å; W1029-R1033 WeakPolarHBondContact O-CB 3.32Å; W1029-R1033 PolarHBondContact O-N 3.03Å; W1029-R1033 VanDerWaalsContact O-N 3.16Å
1030	K	65.2	Low	62.6	Low	138 Å²	138	115.8 Å²	115.8	60%	0.6	55%	0.547	S	S	*	.	H	α-helix	trans	-62.4	-45.1	173.5	-96.2	176.5	-178.3	167.4	0	111	G1026 N1027 E1028 R1033 E1034	G1026-K1030 WeakPolarHBondContact O-CB 3.46Å; G1026-K1030 WeakPolarHBondContact O-CD 3.39Å; G1026-K1030 WeakPolarHBondContact O-CG 3.38Å; G1026-K1030 PolarHBondContact O-N 2.91Å; N1027-K1030 PolarHBondContact O-N 3.28Å; E1028-K1030 VanDerWaalsContact C-N 3.34Å; E1028-K1030 PolarHBondContact O-N 2.97Å; K1030-R1033 WeakPolarHBondContact O-CB 3.46Å; K1030-R1033 PolarHBondContact O-N 3.06Å; K1030-R1033 VanDerWaalsContact O-N 3.15Å; K1030-E1034 WeakPolarHBondContact O-CB 3.44Å; K1030-E1034 WeakPolarHBondContact O-CG 3.43Å; K1030-E1034 PolarHBondContact O-N 3.02Å
1031	K	69	Low	63.6	Low	138 Å²	138	117.3 Å²	117.3	60%	0.6	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-45.1	178.1	-167.6	176.9	-179.6	-177.3	0	112.4	N1027 E1028 R1033 E1034 D1035	N1027-K1031 VanDerWaalsContact O-CB 3.24Å; N1027-K1031 WeakPolarHBondContact O-CB 3.41Å; N1027-K1031 PolarHBondContact O-N 3.03Å; N1027-K1031 VanDerWaalsContact O-N 3.16Å; E1028-K1031 CarbonylContact O-C 3.27Å; E1028-K1031 PolarHBondContact O-N 3.2Å; K1031-R1033 VanDerWaalsContact C-N 3.31Å; K1031-R1033 PolarHBondContact O-N 3.23Å; K1031-E1034 PolarHBondContact O-N 3.05Å; K1031-D1035 WeakPolarHBondContact O-CB 3.25Å; K1031-D1035 PolarHBondContact O-N 3.18Å
1032	K	70.6	Confident	64.3	Low	115.4 Å²	115.4	117.5 Å²	117.5	50%	0.502	55%	0.548	S	S	.	.	H	α-helix	trans	-59	-38.3	173	-88.9	171.3	175.4	157.5	0	112.2	E1028 W1029 T1036	E1028-K1032 VanDerWaalsContact CD-CE 3.43Å; E1028-K1032 VanDerWaalsContact CD-NZ 3.27Å; E1028-K1032 WeakPolarHBondContact O-CB 3.37Å; E1028-K1032 WeakPolarHBondContact O-CG 3.31Å; E1028-K1032 PolarHBondContact O-N 3.13Å; E1028-K1032 WeakPolarHBondContact OE1-CE 3.36Å; E1028-K1032 IonicContact OE1-NZ 3.02Å; E1028-K1032 PolarHBondContact OE1-NZ 2.94Å; E1028-K1032 VanDerWaalsContact OE2-CE 3.25Å; E1028-K1032 WeakPolarHBondContact OE2-CE 3.36Å; E1028-K1032 IonicContact OE2-NZ 3.36Å; E1028-K1032 PolarHBondContact OE2-NZ 3.21Å; W1029-K1032 PolarHBondContact O-N 2.89Å; K1032-T1036 VanDerWaalsContact O-CB 3.27Å; K1032-T1036 WeakPolarHBondContact O-CB 3.37Å; K1032-T1036 PolarHBondContact O-N 3.23Å; K1032-T1036 VanDerWaalsContact O-N 3.12Å; K1032-T1036 PolarHBondContact O-OG1 3.03Å
1033	R	70.5	Confident	64.9	Low	174.2 Å²	174.2	116.5 Å²	116.5	66%	0.657	54%	0.544	S	S	*	.	H	α-helix	trans	-70.4	-42	178	-158.5	-174.6	-72.3	-175.2	-1.3	111.5	W1029 K1030 K1031 T1036 V1037 E1601	W1029-R1033 VanDerWaalsContact O-CB 3.29Å; W1029-R1033 WeakPolarHBondContact O-CB 3.32Å; W1029-R1033 PolarHBondContact O-N 3.03Å; W1029-R1033 VanDerWaalsContact O-N 3.16Å; K1030-R1033 WeakPolarHBondContact O-CB 3.46Å; K1030-R1033 PolarHBondContact O-N 3.06Å; K1030-R1033 VanDerWaalsContact O-N 3.15Å; K1031-R1033 VanDerWaalsContact C-N 3.31Å; K1031-R1033 PolarHBondContact O-N 3.23Å; R1033-T1036 WeakPolarHBondContact CA-OG1 3.36Å; R1033-T1036 PolarHBondContact O-N 3.11Å; R1033-T1036 PolarHBondContact O-OG1 2.73Å; R1033-T1036 VanDerWaalsContact O-OG1 3.14Å; R1033-V1037 WeakPolarHBondContact O-CB 3.39Å; R1033-V1037 VanDerWaalsContact O-CG2 3.3Å; R1033-V1037 WeakPolarHBondContact O-CG2 3.33Å; R1033-V1037 PolarHBondContact O-N 3.14Å; R1033-V1037 VanDerWaalsContact O-N 3.12Å; R1033-E1601 IonicContact NH2-OE1 2.65Å; R1033-E1601 IonicContact NH2-OE2 2.64Å; R1033-E1601 PolarHBondContact NH2-OE2 3.22Å; R1033-E1601 VanDerWaalsContact NH2-OE2 3.09Å
1034	E	69.4	Low	65.5	Low	112 Å²	112	118.3 Å²	118.3	52%	0.523	55%	0.552	S	S	.	*	H	α-helix	trans	-63.7	-43.6	174.7	-74.6	-175.7	-170.5	0	0	112.4	K1030 K1031 T1036 V1037 R1038	K1030-E1034 WeakPolarHBondContact O-CB 3.44Å; K1030-E1034 WeakPolarHBondContact O-CG 3.43Å; K1030-E1034 PolarHBondContact O-N 3.02Å; K1031-E1034 PolarHBondContact O-N 3.05Å; E1034-T1036 VanDerWaalsContact C-N 3.3Å; E1034-T1036 PolarHBondContact O-N 3.13Å; E1034-V1037 PolarHBondContact O-N 3.23Å; E1034-R1038 VanDerWaalsContact O-CB 3.25Å; E1034-R1038 WeakPolarHBondContact O-CB 3.47Å; E1034-R1038 WeakPolarHBondContact O-CG 3.48Å; E1034-R1038 PolarHBondContact O-N 3.05Å; E1034-R1038 IonicContact OE2-CZ 3Å; E1034-R1038 IonicContact OE2-NE 2.73Å; E1034-R1038 IonicContact OE2-NH2 3.3Å; E1034-R1038 PolarHBondContact OE2-NH2 3.29Å
1035	D	72.6	Confident	65.9	Low	71 Å²	71	118.1 Å²	118.1	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-68	-30.3	177.9	-75.6	-18.7	0	0	0	112.8	K1031 R1038 K1039	K1031-D1035 WeakPolarHBondContact O-CB 3.25Å; K1031-D1035 PolarHBondContact O-N 3.18Å; D1035-R1038 IonicContact OD1-CZ 3.16Å; D1035-R1038 IonicContact OD1-NE 3.49Å; D1035-R1038 PolarHBondContact OD1-NE 3Å; D1035-R1038 IonicContact OD1-NH2 3.38Å; D1035-R1038 PolarHBondContact OD1-NH2 2.77Å; D1035-R1038 VanDerWaalsContact OD1-NH2 3.15Å; D1035-K1039 WeakPolarHBondContact O-CB 3.42Å; D1035-K1039 WeakPolarHBondContact O-CD 3.42Å; D1035-K1039 VanDerWaalsContact O-CG 3.26Å; D1035-K1039 WeakPolarHBondContact O-CG 3.41Å; D1035-K1039 PolarHBondContact O-N 3.25Å; D1035-K1039 VanDerWaalsContact O-N 3.14Å
1036	T	73.4	Confident	66.1	Low	78 Å²	78	116.5 Å²	116.5	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-74	-38	174	-17.2	0	0	0	0	111.9	K1032 R1033 E1034 K1039 Q1040	K1032-T1036 VanDerWaalsContact O-CB 3.27Å; K1032-T1036 WeakPolarHBondContact O-CB 3.37Å; K1032-T1036 PolarHBondContact O-N 3.23Å; K1032-T1036 VanDerWaalsContact O-N 3.12Å; K1032-T1036 PolarHBondContact O-OG1 3.03Å; R1033-T1036 WeakPolarHBondContact CA-OG1 3.36Å; R1033-T1036 PolarHBondContact O-N 3.11Å; R1033-T1036 PolarHBondContact O-OG1 2.73Å; R1033-T1036 VanDerWaalsContact O-OG1 3.14Å; E1034-T1036 VanDerWaalsContact C-N 3.3Å; E1034-T1036 PolarHBondContact O-N 3.13Å; T1036-K1039 PolarHBondContact O-N 2.94Å; T1036-Q1040 WeakPolarHBondContact O-CG 3.43Å; T1036-Q1040 PolarHBondContact O-N 3.21Å; T1036-Q1040 VanDerWaalsContact O-N 3.1Å
1037	V	74.2	Confident	66.1	Low	77 Å²	77	120.5 Å²	120.5	47%	0.467	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-45.7	173.4	171.3	0	0	0	0	110.7	R1033 E1034 K1039 Q1040 E1041	R1033-V1037 WeakPolarHBondContact O-CB 3.39Å; R1033-V1037 VanDerWaalsContact O-CG2 3.3Å; R1033-V1037 WeakPolarHBondContact O-CG2 3.33Å; R1033-V1037 PolarHBondContact O-N 3.14Å; R1033-V1037 VanDerWaalsContact O-N 3.12Å; E1034-V1037 PolarHBondContact O-N 3.23Å; V1037-K1039 VanDerWaalsContact C-N 3.33Å; V1037-K1039 PolarHBondContact O-N 2.97Å; V1037-Q1040 CarbonylContact O-C 3.39Å; V1037-Q1040 WeakPolarHBondContact O-CA 3.38Å; V1037-Q1040 WeakPolarHBondContact O-CB 3.37Å; V1037-Q1040 PolarHBondContact O-N 3.11Å; V1037-Q1040 VanDerWaalsContact O-N 3.09Å; V1037-E1041 HydrophobicContact CG1-CG 4.34Å; V1037-E1041 WeakPolarHBondContact O-CG 3.39Å; V1037-E1041 PolarHBondContact O-N 3.11Å
1038	R	71.7	Confident	65.9	Low	135.6 Å²	135.6	122.1 Å²	122.1	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-57.4	-45.6	175.1	-97.5	-174.8	-103	-131.1	1.3	112	E1034 D1035 Q1040 E1041 E1042	E1034-R1038 VanDerWaalsContact O-CB 3.25Å; E1034-R1038 WeakPolarHBondContact O-CB 3.47Å; E1034-R1038 WeakPolarHBondContact O-CG 3.48Å; E1034-R1038 PolarHBondContact O-N 3.05Å; E1034-R1038 IonicContact OE2-CZ 3Å; E1034-R1038 IonicContact OE2-NE 2.73Å; E1034-R1038 IonicContact OE2-NH2 3.3Å; E1034-R1038 PolarHBondContact OE2-NH2 3.29Å; D1035-R1038 IonicContact OD1-CZ 3.16Å; D1035-R1038 IonicContact OD1-NE 3.49Å; D1035-R1038 PolarHBondContact OD1-NE 3Å; D1035-R1038 IonicContact OD1-NH2 3.38Å; D1035-R1038 PolarHBondContact OD1-NH2 2.77Å; D1035-R1038 VanDerWaalsContact OD1-NH2 3.15Å; R1038-Q1040 VanDerWaalsContact C-N 3.32Å; R1038-Q1040 PolarHBondContact O-N 2.89Å; R1038-E1041 WeakPolarHBondContact O-CA 3.44Å; R1038-E1041 PolarHBondContact O-N 3.21Å; R1038-E1041 VanDerWaalsContact O-N 3.15Å; R1038-E1042 WeakPolarHBondContact O-CB 3.44Å; R1038-E1042 VanDerWaalsContact O-CG 3.29Å; R1038-E1042 WeakPolarHBondContact O-CG 3.25Å; R1038-E1042 PolarHBondContact O-N 2.98Å
1039	K	72.7	Confident	65.5	Low	130.6 Å²	130.6	124.1 Å²	124.1	57%	0.568	57%	0.57	S	S	*	*	H	α-helix	trans	-63.4	-32.9	174.8	-77.6	175.3	179.9	174.1	0	113.1	D1035 T1036 V1037 E1041 N1043	D1035-K1039 WeakPolarHBondContact O-CB 3.42Å; D1035-K1039 WeakPolarHBondContact O-CD 3.42Å; D1035-K1039 VanDerWaalsContact O-CG 3.26Å; D1035-K1039 WeakPolarHBondContact O-CG 3.41Å; D1035-K1039 PolarHBondContact O-N 3.25Å; D1035-K1039 VanDerWaalsContact O-N 3.14Å; T1036-K1039 PolarHBondContact O-N 2.94Å; V1037-K1039 VanDerWaalsContact C-N 3.33Å; V1037-K1039 PolarHBondContact O-N 2.97Å; K1039-E1041 VanDerWaalsContact C-N 3.31Å; K1039-N1043 VanDerWaalsContact O-CB 3.26Å; K1039-N1043 WeakPolarHBondContact O-CB 3.38Å; K1039-N1043 VanDerWaalsContact O-CG 3.31Å; K1039-N1043 PolarHBondContact O-N 3.05Å; K1039-N1043 VanDerWaalsContact O-N 3.12Å; K1039-N1043 PolarHBondContact O-ND2 3.03Å
1040	Q	66.3	Low	65	Low	126 Å²	126	123 Å²	123	59%	0.589	58%	0.576	S	S	*	*	H	α-helix	trans	-72.7	-30.5	173.8	-77.1	-170.1	-2.7	0	0	112.8	T1036 V1037 R1038 K1044	T1036-Q1040 WeakPolarHBondContact O-CG 3.43Å; T1036-Q1040 PolarHBondContact O-N 3.21Å; T1036-Q1040 VanDerWaalsContact O-N 3.1Å; V1037-Q1040 CarbonylContact O-C 3.39Å; V1037-Q1040 WeakPolarHBondContact O-CA 3.38Å; V1037-Q1040 WeakPolarHBondContact O-CB 3.37Å; V1037-Q1040 PolarHBondContact O-N 3.11Å; V1037-Q1040 VanDerWaalsContact O-N 3.09Å; R1038-Q1040 VanDerWaalsContact C-N 3.32Å; R1038-Q1040 PolarHBondContact O-N 2.89Å; Q1040-K1044 VanDerWaalsContact O-CB 3.25Å; Q1040-K1044 WeakPolarHBondContact O-CB 3.39Å; Q1040-K1044 VanDerWaalsContact O-CG 3.25Å; Q1040-K1044 WeakPolarHBondContact O-CG 3.25Å; Q1040-K1044 PolarHBondContact O-N 2.99Å; Q1040-K1044 VanDerWaalsContact O-N 3.17Å
1041	E	69.2	Low	64	Low	132.6 Å²	132.6	126.4 Å²	126.4	62%	0.62	59%	0.585	S	S	*	*	H	α-helix	trans	-74.2	-40	173.8	-93.2	-179.2	156.3	0	0	112.2	V1037 R1038 K1039 K1044 K1045	V1037-E1041 HydrophobicContact CG1-CG 4.34Å; V1037-E1041 WeakPolarHBondContact O-CG 3.39Å; V1037-E1041 PolarHBondContact O-N 3.11Å; R1038-E1041 WeakPolarHBondContact O-CA 3.44Å; R1038-E1041 PolarHBondContact O-N 3.21Å; R1038-E1041 VanDerWaalsContact O-N 3.15Å; K1039-E1041 VanDerWaalsContact C-N 3.31Å; E1041-K1044 WeakPolarHBondContact O-CB 3.42Å; E1041-K1044 PolarHBondContact O-N 3.18Å; E1041-K1045 WeakPolarHBondContact O-CB 3.46Å; E1041-K1045 PolarHBondContact O-N 3.27Å; E1041-K1045 VanDerWaalsContact O-N 3.12Å
1042	E	66.8	Low	62.8	Low	117.6 Å²	117.6	126.3 Å²	126.3	55%	0.55	59%	0.589	S	S	.	*	H	α-helix	trans	-61.2	-49.6	171.6	-73.7	174	161.4	0	0	111	R1038 K1044 K1045 D1046	R1038-E1042 WeakPolarHBondContact O-CB 3.44Å; R1038-E1042 VanDerWaalsContact O-CG 3.29Å; R1038-E1042 WeakPolarHBondContact O-CG 3.25Å; R1038-E1042 PolarHBondContact O-N 2.98Å; E1042-K1044 VanDerWaalsContact C-N 3.25Å; E1042-K1044 PolarHBondContact O-N 3.11Å; E1042-K1045 WeakPolarHBondContact O-CB 3.3Å; E1042-K1045 PolarHBondContact O-N 3.32Å; E1042-K1045 VanDerWaalsContact O-N 3.09Å; E1042-D1046 PolarHBondContact O-N 3.25Å; E1042-D1046 VanDerWaalsContact O-N 3.09Å
1043	N	64.9	Low	61.5	Low	98.8 Å²	98.8	127.5 Å²	127.5	53%	0.528	60%	0.601	S	S	.	*	H	α-helix	trans	-62	-24.7	176	-77.6	-54.7	0	0	0	113.7	K1039 N1047	K1039-N1043 VanDerWaalsContact O-CB 3.26Å; K1039-N1043 WeakPolarHBondContact O-CB 3.38Å; K1039-N1043 VanDerWaalsContact O-CG 3.31Å; K1039-N1043 PolarHBondContact O-N 3.05Å; K1039-N1043 VanDerWaalsContact O-N 3.12Å; K1039-N1043 PolarHBondContact O-ND2 3.03Å; N1043-N1047 WeakPolarHBondContact O-CB 3.45Å; N1043-N1047 PolarHBondContact O-N 3.11Å; N1043-N1047 PolarHBondContact O-ND2 2.97Å
1044	K	66.2	Low	59.9	Low	152.4 Å²	152.4	127.4 Å²	127.4	66%	0.663	61%	0.608	S	S	*	*	H	α-helix	trans	-75.7	-34.3	172.4	-84	177.7	178.8	175.4	0	112	Q1040 E1041 E1042 D1046 N1047 E1048	Q1040-K1044 VanDerWaalsContact O-CB 3.25Å; Q1040-K1044 WeakPolarHBondContact O-CB 3.39Å; Q1040-K1044 VanDerWaalsContact O-CG 3.25Å; Q1040-K1044 WeakPolarHBondContact O-CG 3.25Å; Q1040-K1044 PolarHBondContact O-N 2.99Å; Q1040-K1044 VanDerWaalsContact O-N 3.17Å; E1041-K1044 WeakPolarHBondContact O-CB 3.42Å; E1041-K1044 PolarHBondContact O-N 3.18Å; E1042-K1044 VanDerWaalsContact C-N 3.25Å; E1042-K1044 PolarHBondContact O-N 3.11Å; K1044-D1046 PolarHBondContact O-N 3.04Å; K1044-N1047 CarbonylContact O-C 3.59Å; K1044-N1047 PolarHBondContact O-N 3.21Å; K1044-E1048 WeakPolarHBondContact O-CB 3.27Å; K1044-E1048 PolarHBondContact O-N 3.22Å
1045	K	61.3	Low	58.3	Low	154.6 Å²	154.6	128.2 Å²	128.2	67%	0.672	62%	0.62	S	S	*	*	H	α-helix	trans	-72.7	-43.9	176.8	-120.5	179.7	178.1	-178.3	0	112.1	E1041 E1042 N1047 E1048 E1049	E1041-K1045 WeakPolarHBondContact O-CB 3.46Å; E1041-K1045 PolarHBondContact O-N 3.27Å; E1041-K1045 VanDerWaalsContact O-N 3.12Å; E1042-K1045 WeakPolarHBondContact O-CB 3.3Å; E1042-K1045 PolarHBondContact O-N 3.32Å; E1042-K1045 VanDerWaalsContact O-N 3.09Å; K1045-N1047 VanDerWaalsContact C-N 3.28Å; K1045-N1047 PolarHBondContact O-N 2.96Å; K1045-N1047 VanDerWaalsContact O-N 3.12Å; K1045-E1048 VanDerWaalsContact O-CB 3.31Å; K1045-E1048 WeakPolarHBondContact O-CB 3.28Å; K1045-E1048 PolarHBondContact O-N 3.07Å; K1045-E1048 VanDerWaalsContact O-N 3.13Å; K1045-E1049 WeakPolarHBondContact O-CB 3.5Å; K1045-E1049 PolarHBondContact O-N 3.28Å
1046	D	55.9	Low	56.5	Low	91.4 Å²	91.4	133.4 Å²	133.4	49%	0.489	64%	0.642	S	S	.	*	H	α-helix	trans	-65	-28.5	179.5	-67.4	-2.6	0	0	0	112.5	E1042 K1044 E1048 E1049 N1050	E1042-D1046 PolarHBondContact O-N 3.25Å; E1042-D1046 VanDerWaalsContact O-N 3.09Å; K1044-D1046 PolarHBondContact O-N 3.04Å; D1046-E1048 PolarHBondContact O-N 3.09Å; D1046-E1049 PolarHBondContact O-N 3Å; D1046-N1050 VanDerWaalsContact O-CB 3.32Å; D1046-N1050 WeakPolarHBondContact O-CB 3.36Å; D1046-N1050 PolarHBondContact O-N 3.08Å; D1046-N1050 VanDerWaalsContact O-N 3.17Å; D1046-N1050 PolarHBondContact O-ND2 3.14Å; D1046-N1050 VanDerWaalsContact O-ND2 3.15Å
1047	N	54	Low	54.5	Low	119.2 Å²	119.2	134.8 Å²	134.8	64%	0.637	65%	0.654	S	S	*	*	H	α-helix	trans	-75.1	-24	173.4	-96.1	-56.8	0	0	0	113.6	N1043 K1044 K1045 R1051	N1043-N1047 WeakPolarHBondContact O-CB 3.45Å; N1043-N1047 PolarHBondContact O-N 3.11Å; N1043-N1047 PolarHBondContact O-ND2 2.97Å; K1044-N1047 CarbonylContact O-C 3.59Å; K1044-N1047 PolarHBondContact O-N 3.21Å; K1045-N1047 VanDerWaalsContact C-N 3.28Å; K1045-N1047 PolarHBondContact O-N 2.96Å; K1045-N1047 VanDerWaalsContact O-N 3.12Å; N1047-R1051 WeakPolarHBondContact O-CB 3.44Å; N1047-R1051 VanDerWaalsContact O-CG 3.23Å; N1047-R1051 WeakPolarHBondContact O-CG 3.34Å; N1047-R1051 PolarHBondContact O-N 2.86Å
1048	E	52.6	Low	52.6	Low	142.6 Å²	142.6	138.6 Å²	138.6	67%	0.666	67%	0.671	S	S	*	*	H	α-helix	trans	-80.9	-34.6	176.2	-137.6	117.3	-151.2	0	0	111.4	K1044 K1045 D1046 N1050 R1051 I1052	K1044-E1048 WeakPolarHBondContact O-CB 3.27Å; K1044-E1048 PolarHBondContact O-N 3.22Å; K1045-E1048 VanDerWaalsContact O-CB 3.31Å; K1045-E1048 WeakPolarHBondContact O-CB 3.28Å; K1045-E1048 PolarHBondContact O-N 3.07Å; K1045-E1048 VanDerWaalsContact O-N 3.13Å; D1046-E1048 PolarHBondContact O-N 3.09Å; E1048-N1050 PolarHBondContact O-N 3.37Å; E1048-R1051 WeakPolarHBondContact O-CB 3.24Å; E1048-R1051 PolarHBondContact O-N 2.96Å; E1048-R1051 VanDerWaalsContact O-N 3.12Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.47Å; E1048-I1052 PolarHBondContact O-N 2.99Å
1049	E	52	Low	50.9	Low	147.8 Å²	147.8	140.9 Å²	140.9	69%	0.691	69%	0.685	S	S	*	*	H	α-helix	trans	-75.3	-35.1	179.5	-150.1	166.7	-163	0	0	112.6	K1045 D1046 R1051 I1052	K1045-E1049 WeakPolarHBondContact O-CB 3.5Å; K1045-E1049 PolarHBondContact O-N 3.28Å; D1046-E1049 PolarHBondContact O-N 3Å; E1049-R1051 VanDerWaalsContact C-N 3.3Å; E1049-R1051 PolarHBondContact O-N 3.21Å; E1049-R1051 VanDerWaalsContact O-N 3.11Å; E1049-I1052 PolarHBondContact O-N 3.29Å; E1049-I1052 VanDerWaalsContact O-N 3.11Å
1050	N	47.1	Very low	49.1	Very low	130 Å²	130	142 Å²	142	70%	0.695	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	7.1	176.1	-80.3	-64.1	0	0	0	114.6	D1046 E1048	D1046-N1050 VanDerWaalsContact O-CB 3.32Å; D1046-N1050 WeakPolarHBondContact O-CB 3.36Å; D1046-N1050 PolarHBondContact O-N 3.08Å; D1046-N1050 VanDerWaalsContact O-N 3.17Å; D1046-N1050 PolarHBondContact O-ND2 3.14Å; D1046-N1050 VanDerWaalsContact O-ND2 3.15Å; E1048-N1050 PolarHBondContact O-N 3.37Å
1051	R	43.9	Very low	47.5	Very low	209.4 Å²	209.4	142.9 Å²	142.9	79%	0.79	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-7.6	172.2	-98.2	-178	168.1	-156.1	-2.5	113.2	N1047 E1048 E1049 D1053	N1047-R1051 WeakPolarHBondContact O-CB 3.44Å; N1047-R1051 VanDerWaalsContact O-CG 3.23Å; N1047-R1051 WeakPolarHBondContact O-CG 3.34Å; N1047-R1051 PolarHBondContact O-N 2.86Å; E1048-R1051 WeakPolarHBondContact O-CB 3.24Å; E1048-R1051 PolarHBondContact O-N 2.96Å; E1048-R1051 VanDerWaalsContact O-N 3.12Å; E1049-R1051 VanDerWaalsContact C-N 3.3Å; E1049-R1051 PolarHBondContact O-N 3.21Å; E1049-R1051 VanDerWaalsContact O-N 3.11Å; R1051-D1053 PolarHBondContact O-N 3.38Å
1052	I	44	Very low	45.9	Very low	136 Å²	136	145 Å²	145	70%	0.697	71%	0.713	S	S	*	*			trans	-88.1	10.1	178	-58.9	175.1	0	0	0	112.4	E1048 E1049 H1054	E1048-I1052 WeakPolarHBondContact O-CG1 3.47Å; E1048-I1052 PolarHBondContact O-N 2.99Å; E1049-I1052 PolarHBondContact O-N 3.29Å; E1049-I1052 VanDerWaalsContact O-N 3.11Å; I1052-H1054 VanDerWaalsContact C-N 3.25Å; I1052-H1054 PolarHBondContact O-N 3Å
1053	D	42.1	Very low	44.2	Very low	140.6 Å²	140.6	145.4 Å²	145.4	75%	0.752	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	45.1	170.5	-84.2	-8.4	0	0	0	116	R1051 V1055	R1051-D1053 PolarHBondContact O-N 3.38Å; D1053-V1055 PolarHBondContact O-N 3.41Å
1054	H	37.5	Very low	42.6	Very low	173.2 Å²	173.2	148 Å²	148	80%	0.802	74%	0.737	S	S	*	*			trans	-126.6	63.3	-172.3	-97.8	-15.1	0	0	0	114	I1052	I1052-H1054 VanDerWaalsContact C-N 3.25Å; I1052-H1054 PolarHBondContact O-N 3Å
1055	V	35.3	Very low	40.9	Very low	126.8 Å²	126.8	148 Å²	148	77%	0.768	74%	0.743	S	S	*	*			trans	-119.6	95.9	168.2	-173.6	0	0	0	0	110.9	D1053	D1053-V1055 PolarHBondContact O-N 3.41Å
1056	Q	35.2	Very low	39.5	Very low	180.2 Å²	180.2	147.2 Å²	147.2	84%	0.842	75%	0.746	S	S	*	*			trans	-148.7	133.9	160.2	-137	157.4	-15.2	0	0	112.6	D1058	Q1056-D1058 PolarHBondContact O-N 3.09Å
1057	C	31.9	Very low	38.3	Very low	109.4 Å²	109.4	147.3 Å²	147.3	74%	0.739	75%	0.754	S	S	*	*			trans	-43	129.5	166.3	-81.7	0	0	0	0	113.9	K1059	C1057-K1059 PolarHBondContact O-N 3.39Å
1058	D	34.8	Very low	37.1	Very low	155.4 Å²	155.4	151.6 Å²	151.6	83%	0.831	76%	0.761	S	S	*	*				-123.3	141.7	128.5	-107.9	-37.3	0	0	0	112.2	Q1056	Q1056-D1058 PolarHBondContact O-N 3.09Å
1059	K	36.2	Very low	36.1	Very low	184.4 Å²	184.4	151.4 Å²	151.4	80%	0.802	76%	0.764	S	S	*	*			trans	-140.4	126.3	169.6	-71.1	175.5	-175.7	173.7	0	111.5	C1057	C1057-K1059 PolarHBondContact O-N 3.39Å
1060	N	33.3	Very low	35.1	Very low	153.6 Å²	153.6	153.5 Å²	153.5	82%	0.821	77%	0.768	S	S	*	*			trans	168.9	114.3	141.5	-78.4	-22.9	0	0	0	112	K1062	N1060-K1062 PolarHBondContact O-N 3.45Å
1061	D	34	Very low	34.3	Very low	144.8 Å²	144.8	152.5 Å²	152.5	77%	0.774	77%	0.766	S	S	*	*			trans	42.8	119.1	130.2	-82.9	-25.2	0	0	0	116.5
1062	K	34.4	Very low	33.6	Very low	176.6 Å²	176.6	150.8 Å²	150.8	77%	0.768	77%	0.765	S	S	*	*				-48.3	127	129.4	-84.3	176.1	179	157	0	114.8	N1060	N1060-K1062 PolarHBondContact O-N 3.45Å
1063	T	32	Very low	32.9	Very low	125.6 Å²	125.6	151.1 Å²	151.1	77%	0.771	77%	0.766	S	S	*	*				91.9	132.7	128.7	52.6	0	0	0	0	116.5
1064	L	31.6	Very low	32.2	Very low	153.2 Å²	153.2	150.3 Å²	150.3	80%	0.802	77%	0.767	S	S	*	*			trans	171	119.9	134	-98.2	124.5	0	0	0	113
1065	I	30.5	Very low	31.8	Very low	154 Å²	154	148.3 Å²	148.3	79%	0.79	77%	0.766	S	S	*	*				175.6	124.5	120.3	-68.1	166.2	0	0	0	109.1	S1067	I1065-S1067 PolarHBondContact O-N 3.29Å
1066	D	31.6	Very low	31.6	Very low	136.4 Å²	136.4	149.6 Å²	149.6	73%	0.729	77%	0.768	S	S	*	*			trans	94.5	122.9	138.1	-114.1	-16.8	0	0	0	116.3	R1068	D1066-R1068 IonicContact OD1-CZ 2.84Å; D1066-R1068 IonicContact OD1-NH1 3.78Å; D1066-R1068 IonicContact OD1-NH2 2.63Å; D1066-R1068 IonicContact OD2-CZ 3.19Å; D1066-R1068 IonicContact OD2-NH1 3.03Å; D1066-R1068 PolarHBondContact OD2-NH1 3.4Å; D1066-R1068 IonicContact OD2-NH2 2.75Å; D1066-R1068 PolarHBondContact OD2-NH2 3.3Å
1067	S	31.2	Very low	31.2	Very low	94.2 Å²	94.2	148.5 Å²	148.5	66%	0.659	76%	0.763	S	S	*	*			trans	164.1	122.6	155.3	61.7	0	0	0	0	115.1	I1065 N1069	I1065-S1067 PolarHBondContact O-N 3.29Å; S1067-N1069 PolarHBondContact O-N 2.93Å
1068	R	27.8	Very low	31.2	Very low	209.8 Å²	209.8	150.1 Å²	150.1	79%	0.792	76%	0.764	S	S	*	*			trans	53.7	120.7	135.5	-74	179.7	176.7	123	4.1	115.9	D1066 Y1070	D1066-R1068 IonicContact OD1-CZ 2.84Å; D1066-R1068 IonicContact OD1-NH1 3.78Å; D1066-R1068 IonicContact OD1-NH2 2.63Å; D1066-R1068 IonicContact OD2-CZ 3.19Å; D1066-R1068 IonicContact OD2-NH1 3.03Å; D1066-R1068 PolarHBondContact OD2-NH1 3.4Å; D1066-R1068 IonicContact OD2-NH2 2.75Å; D1066-R1068 PolarHBondContact OD2-NH2 3.3Å; R1068-Y1070 HydrophobicContact CG-CD2 4.44Å; R1068-Y1070 HydrophobicContact CG-CE2 4.31Å
1069	N	32.5	Very low	31	Very low	137.8 Å²	137.8	149.4 Å²	149.4	74%	0.737	76%	0.761	S	S	*	*				-166.8	121.3	100.6	-95	-24.1	0	0	0	111.3	S1067 T1071	S1067-N1069 PolarHBondContact O-N 2.93Å; N1069-T1071 PolarHBondContact O-N 3.15Å
1070	Y	30	Very low	30.9	Very low	193 Å²	193	148.8 Å²	148.8	76%	0.757	76%	0.758	S	S	*	*			trans	15.8	125.6	139.8	-78.2	-88.9	0	0	0	115.2	R1068 F1072	R1068-Y1070 HydrophobicContact CG-CD2 4.44Å; R1068-Y1070 HydrophobicContact CG-CE2 4.31Å; Y1070-F1072 AromaticContact CD1-CD2 3.82Å; Y1070-F1072 HydrophobicContact CD1-CD2 3.98Å; Y1070-F1072 AromaticContact CD1-CE2 3.83Å; Y1070-F1072 HydrophobicContact CD1-CE2 4.01Å; Y1070-F1072 HydrophobicContact CE1-CD2 4.18Å; Y1070-F1072 AromaticContact CE1-CE2 3.69Å; Y1070-F1072 HydrophobicContact CE1-CE2 3.95Å
1071	T	31.1	Very low	30.7	Very low	107.8 Å²	107.8	149.5 Å²	149.5	66%	0.661	76%	0.757	S	S	*	*			cis	-149.7	128.8	30.3	-35.8	0	0	0	0	110.3	N1069 I1073	N1069-T1071 PolarHBondContact O-N 3.15Å; T1071-I1073 HydrophobicContact CG2-CG1 4.27Å
1072	F	27.7	Very low	30.6	Very low	174.4 Å²	174.4	149.4 Å²	149.4	77%	0.765	76%	0.756	S	S	*	*			trans	-52.5	126	137.7	-86.3	-77.6	0	0	0	114.3	Y1070	Y1070-F1072 AromaticContact CD1-CD2 3.82Å; Y1070-F1072 HydrophobicContact CD1-CD2 3.98Å; Y1070-F1072 AromaticContact CD1-CE2 3.83Å; Y1070-F1072 HydrophobicContact CD1-CE2 4.01Å; Y1070-F1072 HydrophobicContact CE1-CD2 4.18Å; Y1070-F1072 AromaticContact CE1-CE2 3.69Å; Y1070-F1072 HydrophobicContact CE1-CE2 3.95Å
1073	I	29.2	Very low	30.5	Very low	142.8 Å²	142.8	147 Å²	147	73%	0.732	76%	0.756	S	S	*	*			trans	-143.9	119.8	146.7	-68.6	171.4	0	0	0	110.7	T1071 T1075	T1071-I1073 HydrophobicContact CG2-CG1 4.27Å; I1073-T1075 HydrophobicContact CG2-CG2 4.32Å
1074	T	28.6	Very low	30.4	Very low	123 Å²	123	148 Å²	148	76%	0.755	76%	0.756	S	S	*	*			trans	-105.1	132.5	144.7	47.9	0	0	0	0	112.8
1075	T	29	Very low	30.5	Very low	130.4 Å²	130.4	149 Å²	149	80%	0.8	75%	0.754	S	S	*	*			trans	176.1	120.5	152.1	45.1	0	0	0	0	113.5	I1073	I1073-T1075 HydrophobicContact CG2-CG2 4.32Å
1076	L	30.1	Very low	30.5	Very low	154.6 Å²	154.6	147.7 Å²	147.7	81%	0.809	75%	0.749	S	S	*	*			trans	161.4	126	130	-142.4	88.8	0	0	0	113.5
1077	E	28.4	Very low	30.6	Very low	156.4 Å²	156.4	147.9 Å²	147.9	73%	0.731	75%	0.75	S	S	*	*			trans	28.5	129.7	158.3	-104.6	172.1	-161.1	0	0	116
1078	N	31.1	Very low	30.5	Very low	143.4 Å²	143.4	151.8 Å²	151.8	77%	0.767	76%	0.757	S	S	*	*			trans	159.1	95.5	148.3	-75.6	-53.7	0	0	0	113	K1080	N1078-K1080 PolarHBondContact O-N 3.39Å; N1078-K1080 VanDerWaalsContact O-N 3.16Å
1079	D	30.8	Very low	30.7	Very low	141.8 Å²	141.8	149.6 Å²	149.6	76%	0.758	76%	0.758	S	S	*	*			trans	-88.1	112.3	144.6	-107.9	-14	0	0	0	111.2
1080	K	33.3	Very low	30.7	Very low	172 Å²	172	149.4 Å²	149.4	75%	0.748	76%	0.757	S	S	*	*			trans	-158.7	114	161.5	-74.4	173.3	-177.9	172	0	114.1	N1078 D1082	N1078-K1080 PolarHBondContact O-N 3.39Å; N1078-K1080 VanDerWaalsContact O-N 3.16Å; K1080-D1082 PolarHBondContact O-N 3.04Å
1081	Q	30.7	Very low	30.9	Very low	168.4 Å²	168.4	148.4 Å²	148.4	79%	0.787	76%	0.759	S	S	*	*				49.8	117.6	127.3	-85	178.2	-54.7	0	0	117.4
1082	D	31.1	Very low	31.1	Very low	141.6 Å²	141.6	149.4 Å²	149.4	76%	0.757	76%	0.761	S	S	*	*			trans	25.7	117.2	140.1	-62.9	-30.4	0	0	0	117.2	K1080	K1080-D1082 PolarHBondContact O-N 3.04Å
1083	T	32.2	Very low	31.4	Very low	125.8 Å²	125.8	147 Å²	147	77%	0.772	76%	0.756	S	S	*	*			trans	161.4	127.2	146.5	22.7	0	0	0	0	112.9
1084	L	30.8	Very low	31.6	Very low	147.6 Å²	147.6	146.9 Å²	146.9	77%	0.773	75%	0.752	S	S	*	*				74.1	130.8	102.6	-89.3	157.9	0	0	0	114.2
1085	K	32.1	Very low	31.8	Very low	173.4 Å²	173.4	148.5 Å²	148.5	75%	0.754	75%	0.749	S	S	*	*			trans	126.9	112.8	149.1	-81.1	-178.5	168.6	-140	0	115.6	N1087	K1085-N1087 VanDerWaalsContact C-N 3.29Å; K1085-N1087 PolarHBondContact O-N 2.99Å; K1085-N1087 VanDerWaalsContact O-N 3.14Å
1086	D	31.8	Very low	32.1	Very low	128 Å²	128	149.5 Å²	149.5	68%	0.684	74%	0.744	S	S	*	*				-31.1	121.7	128.9	-60.4	-32.3	0	0	0	112.8
1087	N	33.5	Very low	32.2	Very low	140.2 Å²	140.2	148.6 Å²	148.6	75%	0.75	74%	0.74	S	S	*	*			trans	176	116.3	142.4	-81.1	-4.9	0	0	0	113.9	K1085 M1089	K1085-N1087 VanDerWaalsContact C-N 3.29Å; K1085-N1087 PolarHBondContact O-N 2.99Å; K1085-N1087 VanDerWaalsContact O-N 3.14Å; N1087-M1089 PolarHBondContact O-N 2.97Å
1088	E	28.2	Very low	32.2	Very low	175.2 Å²	175.2	146.3 Å²	146.3	82%	0.819	74%	0.741	S	S	*	*			trans	-30.7	135.3	140.9	-146.4	172.2	178.5	0	0	113.1	N1090	E1088-N1090 PolarHBondContact O-N 3.3Å
1089	M	31.9	Very low	32.2	Very low	164.8 Å²	164.8	145.9 Å²	145.9	81%	0.812	74%	0.744	S	S	*	*			trans	145.2	109.8	162	-75.4	-92.7	-82.8	0	0	111.3	N1087	N1087-M1089 PolarHBondContact O-N 2.97Å
1090	N	33.7	Very low	32.2	Very low	133.6 Å²	133.6	144.2 Å²	144.2	71%	0.714	74%	0.744	S	S	*	*				66.8	125.6	117.4	-79	5	0	0	0	114.7	E1088 D1092	E1088-N1090 PolarHBondContact O-N 3.3Å; N1090-D1092 PolarHBondContact O-N 3.31Å
1091	E	33.1	Very low	31.9	Very low	170.4 Å²	170.4	140.4 Å²	140.4	80%	0.796	74%	0.738	S	S	*	*			trans	-19.2	122	130.8	-70.8	167.2	149.2	0	0	113	N1093	E1091-N1093 PolarHBondContact O-N 3.44Å
1092	D	35.7	Very low	31.8	Very low	129.8 Å²	129.8	138.4 Å²	138.4	69%	0.694	73%	0.733	S	S	*	*				-154	144.9	114.5	-106.3	-22.5	0	0	0	113.2	N1090 K1107	N1090-D1092 PolarHBondContact O-N 3.31Å; D1092-K1107 HydrophobicContact CB-CG 3.86Å; D1092-K1107 WeakPolarHBondContact O-CE 3.4Å; D1092-K1107 WeakPolarHBondContact O-CG 3.45Å; D1092-K1107 PolarHBondContact O-NZ 2.88Å
1093	N	33.8	Very low	31.8	Very low	124 Å²	124	139.4 Å²	139.4	66%	0.663	73%	0.733	S	S	*	*			trans	35.3	113.5	154.1	-70.5	-54.6	0	0	0	119.7	E1091 S1105 T1106 K1107	E1091-N1093 PolarHBondContact O-N 3.44Å; N1093-S1105 WeakPolarHBondContact OD1-CA 3.5Å; N1093-T1106 WeakPolarHBondContact CB-O 3.33Å; N1093-T1106 VanDerWaalsContact CG-N 3.27Å; N1093-K1107 HydrophobicContact CB-CB 4.5Å; N1093-K1107 WeakPolarHBondContact O-CB 3.25Å; N1093-K1107 WeakPolarHBondContact O-CD 3.48Å; N1093-K1107 VanDerWaalsContact O-CE 3.32Å; N1093-K1107 WeakPolarHBondContact O-CE 3.38Å; N1093-K1107 WeakPolarHBondContact O-CG 3.5Å; N1093-K1107 PolarHBondContact O-NZ 2.98Å
1094	E	32.9	Very low	31.6	Very low	140.4 Å²	140.4	138.4 Å²	138.4	66%	0.656	73%	0.731	S	S	*	*				46.1	132.6	116.4	-144.1	175.9	-159.9	0	0	117.7	S1105 T1106 K1107	E1094-S1105 PolarHBondContact OE1-OG 2.87Å; E1094-T1106 VanDerWaalsContact CG-CA 3.46Å; E1094-T1106 PolarHBondContact OE1-OG1 3.07Å; E1094-K1107 HydrophobicContact CB-CB 3.98Å
1095	K	34.1	Very low	31.5	Very low	157.2 Å²	157.2	136 Å²	136	68%	0.683	73%	0.727	S	S	*	*				-165.8	132.9	101.1	-110.9	177	-170.2	149.2	0	114.6
1096	H	33.7	Very low	31.3	Very low	150.8 Å²	150.8	133.2 Å²	133.2	70%	0.698	72%	0.724	S	S	*	*			trans	67.3	118.3	133.6	-66.2	-55.6	0	0	0	119.9
1097	D	32.3	Very low	31.2	Very low	136.2 Å²	136.2	134.7 Å²	134.7	73%	0.728	73%	0.725	S	S	*	*				134.2	128.2	116.1	-88.9	-31.6	0	0	0	116	T1099	D1097-T1099 PolarHBondContact O-N 3.48Å
1098	S	29.9	Very low	31.1	Very low	108.2 Å²	108.2	133.3 Å²	133.3	76%	0.757	72%	0.723	S	S	*	*			trans	-42.4	126.3	139.6	-18.4	0	0	0	0	116.9
1099	T	30.8	Very low	31	Very low	133.6 Å²	133.6	134.3 Å²	134.3	82%	0.82	72%	0.721	S	S	*	*			trans	-158.1	124.9	155.6	-32.6	0	0	0	0	113.5	D1097	D1097-T1099 PolarHBondContact O-N 3.48Å
1100	S	30	Very low	30.9	Very low	107.2 Å²	107.2	131.5 Å²	131.5	75%	0.75	71%	0.713	S	S	*	*			trans	100.3	121.6	140.4	106.9	0	0	0	0	115.1
1101	S	28.3	Very low	30.6	Very low	91.2 Å²	91.2	130.4 Å²	130.4	64%	0.638	71%	0.712	S	S	*	*				87.9	121.7	80.3	108.3	0	0	0	0	115.7
1102	N	28.4	Very low	30.4	Very low	128 Å²	128	130 Å²	130	68%	0.684	71%	0.709	S	S	*	*				106.3	134.5	116.2	-67.8	-20.5	0	0	0	117.3
1103	H	30.8	Very low	30.1	Very low	162 Å²	162	130.6 Å²	130.6	75%	0.75	71%	0.71	S	S	*	*				74.4	113.1	129.8	-58.3	-58.5	0	0	0	118.4
1104	S	26.9	Very low	30	Very low	103.8 Å²	103.8	132 Å²	132	73%	0.726	71%	0.712	S	S	*	*				49	128.5	122	60	0	0	0	0	116.2
1105	S	29.9	Very low	30	Very low	97.8 Å²	97.8	131.4 Å²	131.4	68%	0.684	71%	0.714	S	S	*	*				118.6	116.7	123.8	74.9	0	0	0	0	116.1	N1093 E1094	N1093-S1105 WeakPolarHBondContact OD1-CA 3.5Å; E1094-S1105 PolarHBondContact OE1-OG 2.87Å
1106	T	28.1	Very low	29.9	Very low	114.4 Å²	114.4	130.4 Å²	130.4	70%	0.702	72%	0.716	S	S	*	*			trans	-158.8	116.1	144.1	-63.8	0	0	0	0	112	N1093 E1094	N1093-T1106 WeakPolarHBondContact CB-O 3.33Å; N1093-T1106 VanDerWaalsContact CG-N 3.27Å; E1094-T1106 VanDerWaalsContact CG-CA 3.46Å; E1094-T1106 PolarHBondContact OE1-OG1 3.07Å
1107	K	29.3	Very low	30	Very low	160 Å²	160	128.9 Å²	128.9	70%	0.696	72%	0.717	S	S	*	*			trans	94	154.3	134.7	-84.4	-178.6	-176.4	162.7	0	114.4	D1092 N1093 E1094	D1092-K1107 HydrophobicContact CB-CG 3.86Å; D1092-K1107 WeakPolarHBondContact O-CE 3.4Å; D1092-K1107 WeakPolarHBondContact O-CG 3.45Å; D1092-K1107 PolarHBondContact O-NZ 2.88Å; N1093-K1107 HydrophobicContact CB-CB 4.5Å; N1093-K1107 WeakPolarHBondContact O-CB 3.25Å; N1093-K1107 WeakPolarHBondContact O-CD 3.48Å; N1093-K1107 VanDerWaalsContact O-CE 3.32Å; N1093-K1107 WeakPolarHBondContact O-CE 3.38Å; N1093-K1107 WeakPolarHBondContact O-CG 3.5Å; N1093-K1107 PolarHBondContact O-NZ 2.98Å; E1094-K1107 HydrophobicContact CB-CB 3.98Å
1108	P	31.2	Very low	29.9	Very low	111.2 Å²	111.2	130.4 Å²	130.4	72%	0.722	72%	0.72	S	S	*	*			trans	-127.2	170.1	136.1	38.5	-27.1	0	0	0	114.8
1109	Y	25.7	Very low	30.1	Very low	195.4 Å²	195.4	132.1 Å²	132.1	77%	0.766	72%	0.72	S	S	*	*			trans	15.2	113.8	162.2	-82.9	-89.5	0	0	0	117.2	G1654 L1655	Y1109-G1654 WeakPolarHBondContact CE2-O 3.47Å; Y1109-L1655 HydrophobicContact CD1-CB 3.89Å; Y1109-L1655 HydrophobicContact CD1-CD2 3.6Å; Y1109-L1655 HydrophobicContact CD1-CG 4.39Å; Y1109-L1655 HydrophobicContact CD2-CB 4.03Å; Y1109-L1655 HydrophobicContact CE1-CB 4Å; Y1109-L1655 HydrophobicContact CE1-CD2 4.18Å; Y1109-L1655 WeakPolarHBondContact CE1-O 2.6Å; Y1109-L1655 HydrophobicContact CE2-CB 4.13Å; Y1109-L1655 HydrophobicContact CG-CB 3.91Å; Y1109-L1655 HydrophobicContact CG-CD2 4.03Å; Y1109-L1655 VanDerWaalsContact CZ-O 3.27Å; Y1109-L1655 PolarHBondContact OH-N 3.47Å; Y1109-L1655 PolarHBondContact OH-O 2.65Å; Y1109-L1655 VanDerWaalsContact OH-O 3.1Å
1110	T	29.2	Very low	30.2	Very low	106.6 Å²	106.6	132.5 Å²	132.5	65%	0.654	72%	0.717	S	S	*	*			trans	102.9	135.9	135.3	-6.1	0	0	0	0	116.2	L1655 Y1656	T1110-L1655 HydrophobicContact CG2-CD2 3.4Å; T1110-L1655 WeakPolarHBondContact OG1-CD1 3Å; T1110-L1655 WeakPolarHBondContact OG1-CD2 3.12Å; T1110-Y1656 HydrophobicContact CG2-CD2 4.08Å; T1110-Y1656 HydrophobicContact CG2-CE2 3.89Å
1111	T	28.2	Very low	30.4	Very low	110.6 Å²	110.6	134.8 Å²	134.8	68%	0.679	72%	0.721	S	S	*	*				-118.8	127	129	34.9	0	0	0	0	112.4	Y1656	T1111-Y1656 HydrophobicContact CG2-CE2 4.35Å
1112	H	29.1	Very low	30.7	Very low	161.2 Å²	161.2	135.8 Å²	135.8	75%	0.746	73%	0.725	S	S	*	*			trans	79.6	131.8	143.5	-78	-64.8	0	0	0	117.6	Y1656	H1112-Y1656 PolarHBondContact CE1-OH 3.35Å; H1112-Y1656 PolarHBondContact NE2-OH 2.91Å; H1112-Y1656 VanDerWaalsContact NE2-OH 3.15Å
1113	M	30.3	Very low	30.9	Very low	143.4 Å²	143.4	138 Å²	138	71%	0.706	73%	0.731	S	S	*	*				169.9	139	108.9	-77.5	-115.9	28	0	0	114.4
1114	E	30.8	Very low	30.9	Very low	152 Å²	152	140.4 Å²	140.4	71%	0.71	73%	0.734	S	S	*	*			trans	47.6	122.2	145.3	-69.9	176.7	159.8	0	0	119.6
1115	N	32.5	Very low	31.1	Very low	129.6 Å²	129.6	142.4 Å²	142.4	69%	0.693	74%	0.735	S	S	*	*				161.6	131.2	117	-82.3	-5.6	0	0	0	115.4	T1117	N1115-T1117 PolarHBondContact O-N 3.36Å
1116	D	32	Very low	31.2	Very low	135 Å²	135	143 Å²	143	72%	0.722	74%	0.737	S	S	*	*			trans	32.5	127	153.4	-59.5	-32.2	0	0	0	118.4	E1118	D1116-E1118 PolarHBondContact O-N 3.16Å
1117	T	35.5	Very low	31.3	Very low	118.8 Å²	118.8	143.1 Å²	143.1	73%	0.729	74%	0.737	S	S	*	*			trans	169.6	109.8	136.2	-18.1	0	0	0	0	115.3	N1115 L1119	N1115-T1117 PolarHBondContact O-N 3.36Å; T1117-L1119 HydrophobicContact CG2-CG 4.44Å; T1117-L1119 PolarHBondContact O-N 3.11Å
1118	E	32.1	Very low	31.2	Very low	169.2 Å²	169.2	143.5 Å²	143.5	79%	0.791	74%	0.741	S	S	*	*			trans	19.4	121.8	149	-62.9	-177.5	156.8	0	0	117.1	D1116 N1120	D1116-E1118 PolarHBondContact O-N 3.16Å; E1118-N1120 PolarHBondContact O-N 3.27Å
1119	L	32.6	Very low	31.1	Very low	143.8 Å²	143.8	145.4 Å²	145.4	75%	0.753	75%	0.745	S	S	*	*				175.2	105.3	124.2	-89.4	156.5	0	0	0	112.8	T1117	T1117-L1119 HydrophobicContact CG2-CG 4.44Å; T1117-L1119 PolarHBondContact O-N 3.11Å
1120	N	33.9	Very low	31.3	Very low	141.4 Å²	141.4	144.9 Å²	144.9	76%	0.756	75%	0.746	S	S	*	*			trans	124.3	116.3	135.4	-74.5	-41.4	0	0	0	115.2	E1118 P1122	E1118-N1120 PolarHBondContact O-N 3.27Å; N1120-P1122 WeakPolarHBondContact O-CD 3.33Å
1121	D	34	Very low	31.3	Very low	155.8 Å²	155.8	145.2 Å²	145.2	83%	0.833	75%	0.748	S	S	*	*			trans	-63.9	146	152.7	-101.4	-21.8	0	0	0	113	E1123	D1121-E1123 PolarHBondContact O-N 2.82Å
1122	P	35.1	Very low	31.3	Very low	111.4 Å²	111.4	148.3 Å²	148.3	72%	0.723	76%	0.755	S	S	*	*				-116.3	150.9	-50.1	34.6	-20.6	0	0	0	112.1	N1120 R1124	N1120-P1122 WeakPolarHBondContact O-CD 3.33Å; P1122-R1124 PolarHBondContact O-N 2.85Å
1123	E	31.6	Very low	31.2	Very low	174.2 Å²	174.2	147.3 Å²	147.3	81%	0.814	75%	0.754	S	S	*	*			trans	-23.4	130.6	169.5	-78.4	-166.3	152.5	0	0	115.9	D1121	D1121-E1123 PolarHBondContact O-N 2.82Å
1124	R	30.7	Very low	31.2	Very low	213.8 Å²	213.8	145.9 Å²	145.9	81%	0.807	75%	0.753	S	S	*	*				163.7	125.5	85.3	-149.5	174.8	-174.2	168.3	1.9	115.2	P1122	P1122-R1124 PolarHBondContact O-N 2.85Å
1125	I	30.8	Very low	31	Very low	145.4 Å²	145.4	143.2 Å²	143.2	75%	0.746	75%	0.751	S	S	*	*			trans	66.3	137.9	135.8	-58.7	166.2	0	0	0	115.3
1126	P	32.9	Very low	31	Very low	110.8 Å²	110.8	145.4 Å²	145.4	72%	0.719	76%	0.757	S	S	*	*			trans	-128	156.7	154.3	35.1	-18.7	0	0	0	113.4
1127	T	29.1	Very low	30.9	Very low	115 Å²	115	147.1 Å²	147.1	71%	0.706	76%	0.76	S	S	*	*			trans	158.3	128.3	135.7	31.2	0	0	0	0	113.6
1128	Q	28.5	Very low	30.5	Very low	168.6 Å²	168.6	148.2 Å²	148.2	79%	0.788	76%	0.762	S	S	*	*				98.3	139.2	127.3	-71.8	-173.7	32.2	0	0	114.9
1129	L	29.3	Very low	30.4	Very low	152.4 Å²	152.4	145.9 Å²	145.9	80%	0.798	76%	0.759	S	S	*	*				-154.9	156.3	60.8	-92.6	150.1	0	0	0	112.2
1130	K	29.8	Very low	30.2	Very low	183.2 Å²	183.2	145.9 Å²	145.9	80%	0.797	76%	0.759	S	S	*	*			trans	-159.1	128.9	155.1	-132.6	178.2	-173.6	174	0	110.3
1131	T	29.1	Very low	30	Very low	113.8 Å²	113.8	143.9 Å²	143.9	70%	0.698	76%	0.756	S	S	*	*				150.7	122.3	108.2	13.7	0	0	0	0	113.4	I1133	T1131-I1133 HydrophobicContact CG2-CD1 3.98Å
1132	Q	27.6	Very low	29.7	Very low	175 Å²	175	144.7 Å²	144.7	82%	0.818	75%	0.754	S	S	*	*				155.6	123.6	119.7	-112	171.3	-8.7	0	0	112.1
1133	I	27.1	Very low	29.5	Very low	141.2 Å²	141.2	144.7 Å²	144.7	72%	0.724	75%	0.754	S	S	*	*				31.3	123.8	121.5	-64.1	170.5	0	0	0	109.7	T1131	T1131-I1133 HydrophobicContact CG2-CD1 3.98Å
1134	V	29.5	Very low	29.4	Very low	114 Å²	114	145.3 Å²	145.3	69%	0.691	75%	0.754	S	S	*	*				-153.7	140.2	64.6	145.3	0	0	0	0	109.5	E1136	V1134-E1136 HydrophobicContact CG1-CB 4.23Å; V1134-E1136 HydrophobicContact CG1-CG 3.67Å
1135	S	27.3	Very low	29.3	Very low	94.6 Å²	94.6	142.2 Å²	142.2	66%	0.662	75%	0.754	S	S	*	*			trans	-31.1	145.9	152.6	35.4	0	0	0	0	114.5
1136	E	31.5	Very low	29.3	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	76%	0.758	S	S	*	*			trans	-169.8	131.9	162.5	-87.4	161.7	-147	0	0	112.9	V1134	V1134-E1136 HydrophobicContact CG1-CB 4.23Å; V1134-E1136 HydrophobicContact CG1-CG 3.67Å
1137	E	30	Very low	29	Very low	171.2 Å²	171.2	147.4 Å²	147.4	80%	0.8	76%	0.758	S	S	*	*			trans	-87	143.8	-165.6	-73.4	176.5	119.2	0	0	110.8
1138	N	28.7	Very low	29	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	76%	0.761	S	S	*	*				106.4	112.4	84.7	-119.7	-10.5	0	0	0	114.9
1139	V	29.8	Very low	29.1	Very low	120.6 Å²	120.6	149 Å²	149	73%	0.731	76%	0.763	S	S	*	*			trans	-95.5	123.7	156.7	-178.7	0	0	0	0	111.7
1140	I	27.7	Very low	29	Very low	144.4 Å²	144.4	146 Å²	146	74%	0.741	76%	0.756	S	S	*	*				104.3	120	64.7	-69.1	167.5	0	0	0	111.4
1141	S	29	Very low	29.1	Very low	98.8 Å²	98.8	144.9 Å²	144.9	69%	0.691	75%	0.753	S	S	*	*				-153.6	131.3	128.8	34.1	0	0	0	0	111.4
1142	Q	27.9	Very low	29	Very low	172 Å²	172	145.7 Å²	145.7	80%	0.804	75%	0.753	S	S	*	*			trans	83.8	145.2	136	-87.5	-162.9	-15.4	0	0	118.4	F1144	Q1142-F1144 HydrophobicContact CB-CD2 3.85Å; Q1142-F1144 HydrophobicContact CB-CE2 3.51Å; Q1142-F1144 HydrophobicContact CB-CZ 4.13Å; Q1142-F1144 HydrophobicContact CG-CE2 4.39Å; Q1142-F1144 PolarHBondContact O-N 2.93Å; Q1142-F1144 VanDerWaalsContact O-N 3.14Å
1143	P	32.2	Very low	29.2	Very low	111.2 Å²	111.2	144.2 Å²	144.2	72%	0.722	75%	0.751	S	S	*	*			trans	-95.8	161.4	179.2	38.1	-33	0	0	0	112.8	N1145	P1143-N1145 PolarHBondContact O-N 3.04Å
1144	F	28.6	Very low	29.3	Very low	186.6 Å²	186.6	143.2 Å²	143.2	82%	0.818	75%	0.751	S	S	*	*			trans	-87.1	122	170.8	-82.9	-82.9	0	0	0	113.6	Q1142 Y1146	Q1142-F1144 HydrophobicContact CB-CD2 3.85Å; Q1142-F1144 HydrophobicContact CB-CE2 3.51Å; Q1142-F1144 HydrophobicContact CB-CZ 4.13Å; Q1142-F1144 HydrophobicContact CG-CE2 4.39Å; Q1142-F1144 PolarHBondContact O-N 2.93Å; Q1142-F1144 VanDerWaalsContact O-N 3.14Å; F1144-Y1146 PolarHBondContact O-N 2.9Å
1145	N	29.1	Very low	29.4	Very low	149.4 Å²	149.4	144.6 Å²	144.6	80%	0.799	75%	0.753	S	S	*	*			trans	-101.4	132.6	144.5	-106.8	-26.8	0	0	0	112.1	P1143	P1143-N1145 PolarHBondContact O-N 3.04Å
1146	Y	30	Very low	29.5	Very low	213 Å²	213	144.2 Å²	144.2	84%	0.835	75%	0.747	S	S	*	*			trans	-130.9	131.2	152.5	-93.1	-90.1	0	0	0	108	F1144	F1144-Y1146 PolarHBondContact O-N 2.9Å
1147	E	27.8	Very low	29.4	Very low	151.8 Å²	151.8	142 Å²	142	71%	0.709	74%	0.741	S	S	*	*				177.5	137	107.5	-150.5	-171.9	174.3	0	0	111
1148	K	29.2	Very low	29.6	Very low	179.6 Å²	179.6	141.3 Å²	141.3	78%	0.781	74%	0.738	S	S	*	*			trans	75.4	156.1	148.4	-78.1	171.8	174.3	162.9	0	114.9
1149	V	29.8	Very low	29.7	Very low	137.2 Å²	137.2	143.3 Å²	143.3	83%	0.832	74%	0.739	S	S	*	*			trans	166	129.9	159	173.3	0	0	0	0	110
1150	S	28.1	Very low	29.8	Very low	91 Å²	91	141.2 Å²	141.2	64%	0.636	74%	0.735	S	S	*	*			trans	-41	162.8	160.2	63.5	0	0	0	0	113.3
1151	E	30	Very low	29.8	Very low	160 Å²	160	141.1 Å²	141.1	75%	0.748	74%	0.736	S	S	*	*			cis	-178.9	143.3	48.1	-102.5	169.9	-169.7	0	0	112.6
1152	N	28.2	Very low	29.9	Very low	130.4 Å²	130.4	144 Å²	144	70%	0.697	74%	0.738	S	S	*	*			trans	40.7	133.8	134.3	-67.4	-32.7	0	0	0	117.2
1153	N	32.1	Very low	29.8	Very low	143.2 Å²	143.2	142.9 Å²	142.9	77%	0.766	74%	0.737	S	S	*	*			trans	-174.7	139.5	131.4	-92.8	-44.2	0	0	0	112.3
1154	V	29.1	Very low	29.7	Very low	120.8 Å²	120.8	141.4 Å²	141.4	73%	0.732	73%	0.734	S	S	*	*			trans	-124.5	139.5	167.4	161.1	0	0	0	0	111.3
1155	I	31.1	Very low	29.7	Very low	142.4 Å²	142.4	141 Å²	141	73%	0.73	73%	0.732	S	S	*	*			trans	144.3	112.2	163.5	-66.3	170.8	0	0	0	112.1
1156	T	29.3	Very low	29.6	Very low	86.2 Å²	86.2	139.7 Å²	139.7	53%	0.529	73%	0.725	S	S	.	*				-164.8	155.5	119.9	57.2	0	0	0	0	112.6	L1769 N1770	T1156-L1769 WeakPolarHBondContact OG1-CD1 3.38Å; T1156-N1770 WeakPolarHBondContact CG2-OD1 3.46Å
1157	N	29.6	Very low	29.7	Very low	129.4 Å²	129.4	135.9 Å²	135.9	69%	0.692	72%	0.718	S	S	*	*			trans	109.7	122.9	152.8	-82.1	-22.1	0	0	0	116.5	L1769	N1157-L1769 WeakPolarHBondContact O-CD2 3.5Å; N1157-L1769 WeakPolarHBondContact O-CG 3.06Å
1158	E	33.4	Very low	29.8	Very low	157.2 Å²	157.2	134.5 Å²	134.5	74%	0.735	72%	0.721	S	S	*	*				167.2	145	127.1	-97.9	-174.9	148.1	0	0	116.2	K1768 L1769	E1158-K1768 HydrophobicContact CB-CB 4.12Å; E1158-K1768 HydrophobicContact CB-CD 3.71Å; E1158-K1768 HydrophobicContact CB-CG 3.66Å; E1158-K1768 VanDerWaalsContact CD-CE 3.45Å; E1158-K1768 HydrophobicContact CG-CD 4.07Å; E1158-K1768 WeakPolarHBondContact O-CB 3.09Å; E1158-K1768 IonicContact OE1-NZ 3.94Å; E1158-K1768 PolarHBondContact OE1-NZ 3.24Å; E1158-K1768 WeakPolarHBondContact OE2-CE 3.31Å; E1158-K1768 IonicContact OE2-NZ 3.52Å; E1158-K1768 PolarHBondContact OE2-NZ 3.49Å; E1158-L1769 WeakPolarHBondContact O-CD1 3Å; E1158-L1769 WeakPolarHBondContact O-CG 3.3Å
1159	K	30.8	Very low	30.1	Very low	183.4 Å²	183.4	131.3 Å²	131.3	80%	0.797	72%	0.718	S	S	*	*			trans	-37.9	148.2	170.4	-54.3	174.6	173.4	175.5	0	116	K1768	K1159-K1768 CarbonylContact C-O 2.9Å; K1159-K1768 HydrophobicContact CG-CD 4.02Å; K1159-K1768 VanDerWaalsContact O-CB 3.26Å; K1159-K1768 WeakPolarHBondContact O-CB 3.35Å; K1159-K1768 WeakPolarHBondContact O-CD 3.38Å; K1159-K1768 PolarHBondContact O-N 3.39Å
1160	A	31.9	Very low	30.1	Very low	76.6 Å²	76.6	130 Å²	130	63%	0.633	72%	0.715	S	S	*	*			trans	138	119	145.6	0	0	0	0	0	113.4	K1768	A1160-K1768 CarbonylContact C-O 3.23Å; A1160-K1768 PolarHBondContact N-O 2.99Å; A1160-K1768 CarbonylContact O-C 3.49Å
1161	D	29.6	Very low	30	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	72%	0.722	S	S	*	*				-145.4	154.3	112.1	-92.7	-43.9	0	0	0	112.8
1162	H	30.3	Very low	30	Very low	160 Å²	160	131.8 Å²	131.8	74%	0.741	72%	0.721	S	S	*	*			trans	67.4	110.9	163.2	-62.6	-42.9	0	0	0	115.8
1163	L	26.2	Very low	29.9	Very low	149.8 Å²	149.8	130.6 Å²	130.6	78%	0.784	72%	0.718	S	S	*	*				71.4	114.8	113.9	-94.8	137.3	0	0	0	115.5
1164	A	29.7	Very low	29.7	Very low	79.6 Å²	79.6	133.6 Å²	133.6	66%	0.658	72%	0.72	S	S	*	*			trans	112.6	137.3	142.3	0	0	0	0	0	114.5
1165	F	28.1	Very low	29.6	Very low	177.4 Å²	177.4	136.4 Å²	136.4	78%	0.778	72%	0.722	S	S	*	*			cis	-142.9	142.4	41.3	-113.9	-122	0	0	0	111.1
1166	L	28.2	Very low	29.3	Very low	123 Å²	123	134.2 Å²	134.2	64%	0.644	72%	0.72	S	S	*	*				96.6	144.8	119.6	-101.8	86.8	0	0	0	113.3
1167	D	31.1	Very low	29.2	Very low	132 Å²	132	137.1 Å²	137.1	71%	0.706	73%	0.732	S	S	*	*				180	117.8	71.9	-89.1	-30.7	0	0	0	117.1
1168	T	30.2	Very low	29.1	Very low	123.8 Å²	123.8	139.3 Å²	139.3	76%	0.76	74%	0.738	S	S	*	*				-69.1	161.9	125.2	35.8	0	0	0	0	114.6
1169	P	35.3	Very low	28.7	Very low	112.6 Å²	112.6	136.3 Å²	136.3	73%	0.731	74%	0.735	S	S	*	*				-126.9	175	-114	37.9	-22.1	0	0	0	114.8	L1171	P1169-L1171 HydrophobicContact CB-CD1 4.21Å
1170	S	29.6	Very low	28.6	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	73%	0.732	S	S	*	*			trans	172.2	133.4	138.7	62.8	0	0	0	0	112.8
1171	L	27.1	Very low	28.3	Very low	148 Å²	148	138.5 Å²	138.5	78%	0.775	74%	0.739	S	S	*	*				-178	130.7	63.4	-152	90.4	0	0	0	111.7	P1169	P1169-L1171 HydrophobicContact CB-CD1 4.21Å
1172	I	29.4	Very low	28.2	Very low	141.6 Å²	141.6	138.4 Å²	138.4	73%	0.726	74%	0.735	S	S	*	*			trans	105.8	124.1	140.4	-56.4	167.6	0	0	0	113.2	Y1174	I1172-Y1174 HydrophobicContact CG2-CD2 4.25Å; I1172-Y1174 HydrophobicContact CG2-CE2 4.36Å
1173	T	25	Very low	28.1	Very low	103.8 Å²	103.8	136.4 Å²	136.4	64%	0.637	73%	0.729	S	S	*	*				103.9	138.8	76.9	-50.7	0	0	0	0	113.5
1174	Y	27.8	Very low	28.1	Very low	206.8 Å²	206.8	136.3 Å²	136.3	81%	0.811	73%	0.726	S	S	*	*			trans	83.7	134.3	166.1	-70.6	-74.7	0	0	0	117.3	I1172	I1172-Y1174 HydrophobicContact CG2-CD2 4.25Å; I1172-Y1174 HydrophobicContact CG2-CE2 4.36Å
1175	K	27.4	Very low	27.9	Very low	180.2 Å²	180.2	136.5 Å²	136.5	78%	0.783	72%	0.723	S	S	*	*			trans	-131.7	145.7	149.1	-92.9	179.6	-178.5	178.7	0	113
1176	S	25.7	Very low	27.8	Very low	96.8 Å²	96.8	133.9 Å²	133.9	68%	0.677	72%	0.717	S	S	*	*			trans	38.2	128.5	132.4	53.3	0	0	0	0	117.2
1177	N	27	Very low	27.9	Very low	146.8 Å²	146.8	135.7 Å²	135.7	79%	0.785	72%	0.722	S	S	*	*				-131.4	145.7	100.8	-92.6	-3.7	0	0	0	109	S1179	N1177-S1179 PolarHBondContact O-N 3.3Å
1178	E	26.3	Very low	27.7	Very low	174.2 Å²	174.2	135.5 Å²	135.5	81%	0.814	72%	0.721	S	S	*	*			trans	-10.8	140.6	134	-96.4	172.4	170.5	0	0	113.5
1179	S	26.8	Very low	27.8	Very low	95.6 Å²	95.6	136.4 Å²	136.4	67%	0.669	72%	0.719	S	S	*	*			trans	86.6	131	143.9	114.8	0	0	0	0	114.3	N1177 H1181	N1177-S1179 PolarHBondContact O-N 3.3Å; S1179-H1181 PolarHBondContact O-N 3.21Å
1180	N	28.1	Very low	27.4	Very low	138.4 Å²	138.4	139.3 Å²	139.3	74%	0.74	72%	0.721	S	S	*	*			trans	-169.3	122.6	144.9	-68	-43.2	0	0	0	112	M1182	N1180-M1182 VanDerWaalsContact C-N 3.28Å
1181	H	26.3	Very low	27.2	Very low	167.8 Å²	167.8	142.2 Å²	142.2	78%	0.777	72%	0.72	S	S	*	*				-162.3	107.2	100.2	-105.5	-54.6	0	0	0	111.8	S1179 I1183	S1179-H1181 PolarHBondContact O-N 3.21Å; H1181-I1183 VanDerWaalsContact CE1-CD1 3.49Å; H1181-I1183 WeakPolarHBondContact CE1-CD1 3.33Å
1182	M	27.2	Very low	27.3	Very low	138.8 Å²	138.8	143 Å²	143	68%	0.684	72%	0.717	S	S	*	*			trans	-123.6	134.7	141.6	-105.7	-91.5	115.5	0	0	110.7	N1180	N1180-M1182 VanDerWaalsContact C-N 3.28Å
1183	I	28.1	Very low	27.1	Very low	117.6 Å²	117.6	141.7 Å²	141.7	60%	0.603	72%	0.719	S	S	*	*			trans	44.9	119.4	163.1	-73.1	174.6	0	0	0	116.1	H1181	H1181-I1183 VanDerWaalsContact CE1-CD1 3.49Å; H1181-I1183 WeakPolarHBondContact CE1-CD1 3.33Å
1184	M	25	Very low	27.2	Very low	149.2 Å²	149.2	142.9 Å²	142.9	74%	0.735	72%	0.717	S	S	*	*			trans	24.4	122.6	145.8	-68.8	-91	-68.1	0	0	114.9
1185	S	25.8	Very low	27.2	Very low	82.6 Å²	82.6	140.8 Å²	140.8	58%	0.578	72%	0.715	S	S	*	*			trans	-117.6	134	141.3	118	0	0	0	0	112.6
1186	N	27.5	Very low	27.3	Very low	124.2 Å²	124.2	138 Å²	138	66%	0.664	71%	0.709	S	S	*	*			trans	-122.2	128.6	154.9	-80.7	-34.9	0	0	0	110.5	N1188	N1186-N1188 PolarHBondContact O-N 3.47Å
1187	Q	29.3	Very low	27.3	Very low	160.8 Å²	160.8	139.8 Å²	139.8	75%	0.751	71%	0.706	S	S	*	*			trans	113.6	129.8	137.6	-83.6	159.4	9.5	0	0	112.4	I1189	Q1187-I1189 PolarHBondContact O-N 3.09Å; Q1187-I1189 VanDerWaalsContact O-N 3.12Å
1188	N	28	Very low	27.4	Very low	126.8 Å²	126.8	141.2 Å²	141.2	68%	0.678	71%	0.706	S	S	*	*				-177.5	110.2	76.8	-88.4	-25.2	0	0	0	111.4	N1186	N1186-N1188 PolarHBondContact O-N 3.47Å
1189	I	30.4	Very low	27.4	Very low	142 Å²	142	139.6 Å²	139.6	73%	0.728	70%	0.702	S	S	*	*			trans	-161.4	106.9	141.5	-65.5	166.3	0	0	0	109.8	Q1187 F1191	Q1187-I1189 PolarHBondContact O-N 3.09Å; Q1187-I1189 VanDerWaalsContact O-N 3.12Å; I1189-F1191 HydrophobicContact CG2-CD2 4.46Å; I1189-F1191 PolarHBondContact O-N 3.08Å
1190	K	27.4	Very low	27.3	Very low	173.8 Å²	173.8	142.7 Å²	142.7	76%	0.756	71%	0.706	S	S	*	*				40.2	110.3	70.4	-156.5	-175	-178.2	-178.4	0	113.5	K1192	K1190-K1192 PolarHBondContact O-N 3.3Å
1191	F	26.9	Very low	27.3	Very low	170 Å²	170	142.4 Å²	142.4	75%	0.746	71%	0.709	S	S	*	*			trans	-108.8	136.4	156	-82.8	-73.4	0	0	0	111.7	I1189 C1193	I1189-F1191 HydrophobicContact CG2-CD2 4.46Å; I1189-F1191 PolarHBondContact O-N 3.08Å; F1191-C1193 PolarHBondContact O-N 2.92Å
1192	K	29.2	Very low	27.4	Very low	165.8 Å²	165.8	138.8 Å²	138.8	72%	0.721	70%	0.703	S	S	*	*			trans	-91.9	134.7	153	-87.7	-179.8	172.5	-172.6	0	109.8	D1020 K1190 E1194	D1020-K1192 IonicContact OD2-NZ 3.67Å; D1020-K1192 PolarHBondContact OD2-NZ 3.3Å; K1190-K1192 PolarHBondContact O-N 3.3Å; K1192-E1194 WeakPolarHBondContact CD-OE1 3.36Å; K1192-E1194 WeakPolarHBondContact CE-OE1 3.13Å; K1192-E1194 IonicContact NZ-OE1 2.71Å; K1192-E1194 PolarHBondContact NZ-OE1 2.99Å
1193	C	24.9	Very low	27.5	Very low	113 Å²	113	139.6 Å²	139.6	76%	0.764	71%	0.709	S	S	*	*				-125.4	126	118.6	-87.5	0	0	0	0	110	F1191 E1195	F1191-C1193 PolarHBondContact O-N 2.92Å; C1193-E1195 PolarHBondContact O-N 2.9Å
1194	E	27.2	Very low	27.9	Very low	129 Å²	129	138.8 Å²	138.8	60%	0.603	71%	0.711	S	S	*	*			trans	-93.5	117.8	167.3	-84	170.6	-177.3	0	0	109.6	K1192 N1196	K1192-E1194 WeakPolarHBondContact CD-OE1 3.36Å; K1192-E1194 WeakPolarHBondContact CE-OE1 3.13Å; K1192-E1194 IonicContact NZ-OE1 2.71Å; K1192-E1194 PolarHBondContact NZ-OE1 2.99Å; E1194-N1196 PolarHBondContact O-N 3.15Å
1195	E	26.5	Very low	28	Very low	164.4 Å²	164.4	138.5 Å²	138.5	77%	0.768	71%	0.711	S	S	*	*				-5.7	126.3	128.1	-129.4	-178.8	-150.1	0	0	113.4	C1193 Q1197	C1193-E1195 PolarHBondContact O-N 2.9Å; E1195-Q1197 VanDerWaalsContact C-N 3.34Å; E1195-Q1197 PolarHBondContact O-N 3.42Å; E1195-Q1197 VanDerWaalsContact O-N 3.11Å
1196	N	29	Very low	28.3	Very low	120.2 Å²	120.2	141 Å²	141	64%	0.643	72%	0.718	S	S	*	*			trans	-99.9	123.3	166	-74.4	-48.6	0	0	0	112.9	E1194	E1194-N1196 PolarHBondContact O-N 3.15Å
1197	Q	27.3	Very low	28.5	Very low	134 Å²	134	143.1 Å²	143.1	63%	0.626	72%	0.722	S	S	*	*				96	127.5	112.8	-80.3	173.9	24.7	0	0	113.1	L1013 E1195	L1013-Q1197 HydrophobicContact CD1-CB 4.32Å; E1195-Q1197 VanDerWaalsContact C-N 3.34Å; E1195-Q1197 PolarHBondContact O-N 3.42Å; E1195-Q1197 VanDerWaalsContact O-N 3.11Å
1198	F	27.7	Very low	28.6	Very low	177.2 Å²	177.2	142.9 Å²	142.9	78%	0.777	73%	0.725	S	S	*	*				-127	158.5	116.2	-95	-63.4	0	0	0	110.7
1199	L	26.4	Very low	28.7	Very low	140 Å²	140	142.3 Å²	142.3	73%	0.733	73%	0.726	S	S	*	*				-140.1	158.9	111	-123	75.9	0	0	0	114.7	T1201	L1199-T1201 PolarHBondContact O-N 3.28Å
1200	H	25.4	Very low	28.7	Very low	162 Å²	162	143.4 Å²	143.4	75%	0.75	73%	0.728	S	S	*	*			trans	-64.4	141	171.6	-70.5	-62.3	0	0	0	116.8
1201	T	28.8	Very low	28.7	Very low	131.4 Å²	131.4	141.8 Å²	141.8	81%	0.806	73%	0.728	S	S	*	*				-155.7	140.2	96.5	38.8	0	0	0	0	113.1	L1199	L1199-T1201 PolarHBondContact O-N 3.28Å
1202	S	27.9	Very low	28.8	Very low	92 Å²	92	138.7 Å²	138.7	64%	0.643	73%	0.727	S	S	*	*			trans	-168.3	136.6	161.7	30.5	0	0	0	0	114.6
1203	L	28.6	Very low	28.9	Very low	154.6 Å²	154.6	140.3 Å²	140.3	81%	0.809	73%	0.734	S	S	*	*				80.9	140.1	98.8	-94.1	149.6	0	0	0	116.2	I1205	L1203-I1205 HydrophobicContact CD2-CD1 4.02Å; L1203-I1205 HydrophobicContact CD2-CG1 3.95Å
1204	P	36.3	Very low	29.2	Very low	101.4 Å²	101.4	143.5 Å²	143.5	66%	0.658	74%	0.738	S	S	*	*				-128.2	167.2	-51.4	36.4	-20.3	0	0	0	113.2
1205	I	28	Very low	29.3	Very low	142.8 Å²	142.8	147.6 Å²	147.6	73%	0.732	75%	0.747	S	S	*	*			trans	60.9	122.7	131.9	-69.3	164.8	0	0	0	113.3	L1203 K1207	L1203-I1205 HydrophobicContact CD2-CD1 4.02Å; L1203-I1205 HydrophobicContact CD2-CG1 3.95Å; I1205-K1207 HydrophobicContact CG2-CG 4.2Å
1206	D	32.4	Very low	29.5	Very low	135.8 Å²	135.8	146.6 Å²	146.6	73%	0.726	74%	0.743	S	S	*	*				-148	143.9	93.5	-111.2	-1.8	0	0	0	113.1
1207	K	30.6	Very low	29.6	Very low	168.6 Å²	168.6	148.4 Å²	148.4	73%	0.733	75%	0.748	S	S	*	*			trans	-105.8	138.9	156.4	-63.6	167	179.8	156.3	0	112.5	I1205	I1205-K1207 HydrophobicContact CG2-CG 4.2Å
1208	L	32.4	Very low	29.8	Very low	156 Å²	156	149 Å²	149	82%	0.817	75%	0.748	S	S	*	*			trans	-172.3	119.3	132.7	-102.3	126.5	0	0	0	112.5	E1210	L1208-E1210 PolarHBondContact O-N 3.49Å
1209	T	28.6	Very low	29.8	Very low	114.8 Å²	114.8	148.4 Å²	148.4	70%	0.704	75%	0.752	S	S	*	*				-36.9	136.7	125.9	13.6	0	0	0	0	112.9
1210	E	31.3	Very low	30.1	Very low	164.4 Å²	164.4	146.8 Å²	146.8	77%	0.768	75%	0.748	S	S	*	*			trans	118.4	104.4	148.7	-81.4	-173.5	174.3	0	0	118.1	L1208 S1212	L1208-E1210 PolarHBondContact O-N 3.49Å; E1210-S1212 VanDerWaalsContact C-N 3.31Å; E1210-S1212 PolarHBondContact O-N 3.03Å
1211	N	28.1	Very low	30.3	Very low	141.2 Å²	141.2	144.8 Å²	144.8	76%	0.755	74%	0.743	S	S	*	*				43.9	94.7	128.1	-65.7	-27.5	0	0	0	118.6
1212	S	28.6	Very low	30.5	Very low	104.2 Å²	104.2	143.5 Å²	143.5	73%	0.729	74%	0.735	S	S	*	*				124.8	133.8	123.5	71.8	0	0	0	0	117.8	E1210 Q1214	E1210-S1212 VanDerWaalsContact C-N 3.31Å; E1210-S1212 PolarHBondContact O-N 3.03Å; S1212-Q1214 PolarHBondContact O-N 3.36Å
1213	K	31.9	Very low	30.6	Very low	198.8 Å²	198.8	147.2 Å²	147.2	86%	0.864	74%	0.739	S	S	*	*			trans	57.6	128.6	145	-81.1	173.3	180	174.8	0	115.2	R1215	K1213-R1215 PolarHBondContact O-N 2.87Å
1214	Q	29.9	Very low	30.7	Very low	180.4 Å²	180.4	142.3 Å²	142.3	84%	0.843	73%	0.726	S	S	*	*			trans	-112	124.4	160.9	-102.7	173.4	-14.8	0	0	112.2	S1212	S1212-Q1214 PolarHBondContact O-N 3.36Å
1215	R	29.8	Very low	30.6	Very low	214.6 Å²	214.6	142.9 Å²	142.9	81%	0.81	72%	0.723	S	S	*	*			trans	138.7	128.5	138.7	-130.9	-174	170.7	173.1	6.9	110.8	K1213 E1217	K1213-R1215 PolarHBondContact O-N 2.87Å; R1215-E1217 PolarHBondContact O-N 2.86Å
1216	E	30.2	Very low	30.8	Very low	145 Å²	145	142.7 Å²	142.7	68%	0.678	72%	0.723	S	S	*	*			trans	-15.2	127.2	179.8	-76.7	159.3	173.8	0	0	111.4	K1218	E1216-K1218 PolarHBondContact O-N 3.19Å
1217	E	31.6	Very low	30.7	Very low	157.4 Å²	157.4	145.1 Å²	145.1	74%	0.736	72%	0.724	S	S	*	*				-89.8	118.9	123.4	-86.5	-167.4	148.2	0	0	113.2	R1215 L1219	R1215-E1217 PolarHBondContact O-N 2.86Å; E1217-L1219 PolarHBondContact O-N 3.45Å; E1217-L1219 VanDerWaalsContact O-N 3.15Å
1218	K	30.9	Very low	30.6	Very low	146.4 Å²	146.4	144.2 Å²	144.2	64%	0.637	72%	0.722	S	S	*	*			trans	0.3	116.7	150.7	-71.6	172.8	-178.3	166	0	116.1	E1216 V1220 N1221 T1603 D1605	E1216-K1218 PolarHBondContact O-N 3.19Å; K1218-V1220 PolarHBondContact O-N 3.11Å; K1218-V1220 VanDerWaalsContact O-N 3.08Å; K1218-N1221 HydrophobicContact CD-CB 4.34Å; K1218-N1221 HydrophobicContact CG-CB 4.26Å; K1218-T1603 HydrophobicContact CD-CG2 3.83Å; K1218-T1603 HydrophobicContact CG-CG2 3.9Å; K1218-D1605 WeakPolarHBondContact CE-OD1 3.15Å; K1218-D1605 IonicContact NZ-OD1 3.17Å; K1218-D1605 PolarHBondContact NZ-OD1 3.46Å; K1218-D1605 IonicContact NZ-OD2 3.43Å; K1218-D1605 PolarHBondContact NZ-OD2 3.03Å
1219	L	28.8	Very low	30.4	Very low	164 Å²	164	141.9 Å²	141.9	86%	0.859	72%	0.719	S	S	*	*			trans	-113.3	133.1	135.5	-87.5	158.3	0	0	0	113.3	E1217 N1221	E1217-L1219 PolarHBondContact O-N 3.45Å; E1217-L1219 VanDerWaalsContact O-N 3.15Å; L1219-N1221 PolarHBondContact O-N 2.95Å
1220	V	31.7	Very low	30.4	Very low	107.6 Å²	107.6	142.7 Å²	142.7	65%	0.652	72%	0.718	S	S	*	*			trans	-67.7	124.4	165.2	179.4	0	0	0	0	112	K1218 T1222 T1600 Q1602	K1218-V1220 PolarHBondContact O-N 3.11Å; K1218-V1220 VanDerWaalsContact O-N 3.08Å; V1220-T1222 HydrophobicContact CG1-CG2 3.93Å; V1220-T1222 VanDerWaalsContact CG1-OG1 3.3Å; V1220-T1222 WeakPolarHBondContact CG1-OG1 3.29Å; V1220-T1222 PolarHBondContact O-N 3.44Å; V1220-T1600 HydrophobicContact CG1-CG2 4.04Å; V1220-Q1602 HydrophobicContact CG2-CG 4.14Å
1221	N	30.3	Very low	30.5	Very low	119.2 Å²	119.2	141.5 Å²	141.5	64%	0.637	72%	0.716	S	S	*	*			trans	-115.8	119.3	161.3	-101.5	-13.2	0	0	0	110.4	K1218 L1219 K1223 D1558 N1561	K1218-N1221 HydrophobicContact CD-CB 4.34Å; K1218-N1221 HydrophobicContact CG-CB 4.26Å; L1219-N1221 PolarHBondContact O-N 2.95Å; N1221-K1223 PolarHBondContact O-N 2.8Å; N1221-K1223 VanDerWaalsContact O-N 3.1Å; N1221-D1558 PolarHBondContact ND2-O 2.74Å; N1221-D1558 PolarHBondContact ND2-OD2 3.05Å; N1221-N1561 HydrophobicContact CB-CB 4.11Å
1222	T	31.5	Very low	30.5	Very low	104.2 Å²	104.2	142.7 Å²	142.7	64%	0.639	72%	0.715	S	S	*	*			trans	-143.4	112.9	171.3	25.7	0	0	0	0	109.9	V1220 G1224 T1598 T1600 V1645	V1220-T1222 HydrophobicContact CG1-CG2 3.93Å; V1220-T1222 VanDerWaalsContact CG1-OG1 3.3Å; V1220-T1222 WeakPolarHBondContact CG1-OG1 3.29Å; V1220-T1222 PolarHBondContact O-N 3.44Å; T1222-G1224 PolarHBondContact O-N 2.81Å; T1222-T1598 CarbonylContact C-O 3.59Å; T1222-T1598 VanDerWaalsContact CA-O 3.3Å; T1222-T1598 WeakPolarHBondContact CA-O 3.31Å; T1222-T1598 WeakPolarHBondContact CB-O 3.15Å; T1222-T1598 WeakPolarHBondContact CG2-O 3.08Å; T1222-T1600 HydrophobicContact CG2-CG2 3.85Å; T1222-T1600 WeakPolarHBondContact OG1-CG2 3.34Å; T1222-V1645 WeakPolarHBondContact O-CA 3.37Å; T1222-V1645 WeakPolarHBondContact O-CB 3.24Å; T1222-V1645 WeakPolarHBondContact O-CG1 3.4Å; T1222-V1645 PolarHBondContact O-N 3.23Å
1223	K	31.1	Very low	30.6	Very low	170 Å²	170	145 Å²	145	74%	0.739	71%	0.714	S	S	*	*			trans	22	129.9	142.7	-84.1	179.9	176.6	179.7	0	113.9	N1221 N1225 T1598 I1599 Y1643 V1645	N1221-K1223 PolarHBondContact O-N 2.8Å; N1221-K1223 VanDerWaalsContact O-N 3.1Å; K1223-N1225 PolarHBondContact O-N 3.29Å; K1223-T1598 PolarHBondContact N-O 3.08Å; K1223-T1598 PolarHBondContact N-OG1 3.4Å; K1223-T1598 VanDerWaalsContact N-OG1 3.16Å; K1223-I1599 HydrophobicContact CG-CG1 4.43Å; K1223-Y1643 HydrophobicContact CG-CD1 4.01Å; K1223-V1645 VanDerWaalsContact C-CB 3.45Å; K1223-V1645 WeakPolarHBondContact O-CB 3.42Å
1224	G	31.1	Very low	30.4	Very low	51.2 Å²	51.2	140 Å²	140	53%	0.528	70%	0.704	S	S	.	*			trans	-80.6	135.3	134.8	0	0	0	0	0	115.5	T1222 E1595 E1644 V1645	T1222-G1224 PolarHBondContact O-N 2.81Å; G1224-E1595 VanDerWaalsContact C-CD 3.42Å; G1224-E1595 WeakPolarHBondContact CA-O 3.08Å; G1224-E1595 PolarHBondContact N-OE1 2.78Å; G1224-E1644 VanDerWaalsContact O-O 3.1Å; G1224-V1645 WeakPolarHBondContact O-CG2 3.34Å
1225	N	32.8	Very low	30.4	Very low	113.4 Å²	113.4	139.6 Å²	139.6	61%	0.606	70%	0.696	S	S	*	*				-161.7	114.2	60.7	-90.6	12.3	0	0	0	110	K1223 Y1227 E1592 E1595 F1596 Y1643	K1223-N1225 PolarHBondContact O-N 3.29Å; N1225-Y1227 PolarHBondContact O-N 2.96Å; N1225-E1592 CarbonylContact C-O 3.13Å; N1225-E1592 WeakPolarHBondContact CA-O 3.41Å; N1225-E1595 PolarHBondContact N-OE2 2.83Å; N1225-F1596 HydrophobicContact CB-CD2 3.46Å; N1225-F1596 VanDerWaalsContact CB-CD2 3.46Å; N1225-F1596 HydrophobicContact CB-CE2 3.42Å; N1225-F1596 VanDerWaalsContact CB-CE2 3.42Å; N1225-F1596 HydrophobicContact CB-CG 4.13Å; N1225-F1596 HydrophobicContact CB-CZ 4.09Å; N1225-F1596 WeakPolarHBondContact ND2-CA 3.21Å; N1225-F1596 WeakPolarHBondContact ND2-CD1 3.37Å; N1225-F1596 WeakPolarHBondContact ND2-CD2 3.32Å; N1225-F1596 WeakPolarHBondContact ND2-CE1 3.24Å; N1225-F1596 VanDerWaalsContact ND2-CE2 3.3Å; N1225-F1596 WeakPolarHBondContact ND2-CE2 3.43Å; N1225-F1596 WeakPolarHBondContact ND2-CG 3.32Å; N1225-F1596 WeakPolarHBondContact ND2-CZ 3.36Å; N1225-Y1643 WeakPolarHBondContact OD1-CE1 3.29Å; N1225-Y1643 PolarHBondContact OD1-OH 3.33Å
1226	L	32.2	Very low	30.3	Very low	139.8 Å²	139.8	136.4 Å²	136.4	73%	0.732	69%	0.69	S	S	*	*			trans	-141.7	117.1	151.7	-80.3	139.6	0	0	0	113.4	E1592 F1596	L1226-E1592 VanDerWaalsContact N-CB 3.34Å; L1226-E1592 PolarHBondContact N-O 2.73Å; L1226-E1592 WeakPolarHBondContact O-CB 3.2Å; L1226-F1596 HydrophobicContact CB-CE2 4.29Å; L1226-F1596 HydrophobicContact CD1-CE2 4.09Å; L1226-F1596 HydrophobicContact CG-CE2 3.88Å; L1226-F1596 VanDerWaalsContact N-CD2 3.28Å
1227	Y	30.7	Very low	30.4	Very low	185.8 Å²	185.8	136.5 Å²	136.5	73%	0.729	69%	0.691	S	S	*	*				-66.2	138.3	123.7	-81.6	-84.3	0	0	0	115.9	N1225 R1589 F1596	N1225-Y1227 PolarHBondContact O-N 2.96Å; Y1227-R1589 WeakPolarHBondContact O-CG 3.26Å; Y1227-R1589 PolarHBondContact O-NE 2.82Å; Y1227-R1589 VanDerWaalsContact O-NE 3.1Å; Y1227-F1596 HydrophobicContact CD2-CD2 4.38Å; Y1227-F1596 AromaticContact CD2-CE2 3.93Å; Y1227-F1596 HydrophobicContact CD2-CE2 3.93Å; Y1227-F1596 HydrophobicContact CD2-CZ 4.48Å; Y1227-F1596 AromaticContact CE2-CD2 4Å; Y1227-F1596 HydrophobicContact CE2-CD2 4Å; Y1227-F1596 HydrophobicContact CE2-CE1 4.22Å; Y1227-F1596 AromaticContact CE2-CE2 3.37Å; Y1227-F1596 HydrophobicContact CE2-CE2 3.37Å; Y1227-F1596 AromaticContact CE2-CZ 3.52Å; Y1227-F1596 HydrophobicContact CE2-CZ 3.52Å
1228	H	29.7	Very low	30.2	Very low	150.2 Å²	150.2	134.4 Å²	134.4	70%	0.695	69%	0.689	S	S	*	*			trans	-56.8	130.7	142.4	-76.5	-69	0	0	0	116.7	D1230 R1589 E1593	H1228-D1230 IonicContact CG-OD2 3.97Å; H1228-D1230 IonicContact ND1-OD2 3.1Å; H1228-D1230 PolarHBondContact ND1-OD2 2.93Å; H1228-D1230 VanDerWaalsContact ND1-OD2 3.1Å; H1228-R1589 VanDerWaalsContact C-CD 3.49Å; H1228-R1589 VanDerWaalsContact C-NE 3.25Å; H1228-R1589 PolarHBondContact O-NE 2.76Å; H1228-R1589 PolarHBondContact O-NH2 3.5Å; H1228-E1593 WeakPolarHBondContact CA-OE1 3.24Å; H1228-E1593 IonicContact CE1-OE1 2.76Å; H1228-E1593 IonicContact CG-OE1 2.62Å; H1228-E1593 PolarHBondContact N-OE1 2.76Å; H1228-E1593 IonicContact ND1-OE1 2.75Å; H1228-E1593 PolarHBondContact ND1-OE1 2.78Å
1229	S	27	Very low	30	Very low	107.6 Å²	107.6	134.3 Å²	134.3	75%	0.752	69%	0.693	S	S	*	*			trans	-130.9	130.8	144.5	-60.8	0	0	0	0	112.3	R1589	S1229-R1589 PolarHBondContact O-NH1 3.23Å; S1229-R1589 PolarHBondContact O-NH2 2.8Å
1230	D	30	Very low	29.9	Very low	131 Å²	131	133.8 Å²	133.8	70%	0.701	69%	0.691	S	S	*	*			trans	-140.1	130.3	164.5	-68.9	-45.4	0	0	0	111.7	H1228 W1582	H1228-D1230 IonicContact CG-OD2 3.97Å; H1228-D1230 IonicContact ND1-OD2 3.1Å; H1228-D1230 PolarHBondContact ND1-OD2 2.93Å; H1228-D1230 VanDerWaalsContact ND1-OD2 3.1Å; D1230-W1582 PolarHBondContact O-NE1 3.08Å
1231	I	32.2	Very low	29.5	Very low	139.8 Å²	139.8	133.9 Å²	133.9	72%	0.717	69%	0.692	S	S	*	*			trans	165.3	123.6	136.9	-73.9	166.9	0	0	0	112.9	E1233 W1582	I1231-E1233 PolarHBondContact O-N 3.45Å; I1231-W1582 PolarHBondContact O-NE1 2.94Å
1232	F	29	Very low	29.3	Very low	165.6 Å²	165.6	136 Å²	136	73%	0.726	70%	0.7	S	S	*	*			trans	36.6	115	159.2	-74.1	-83.4	0	0	0	116.1	I880 S1234 W1582	I880-F1232 HydrophobicContact CD1-CE2 3.65Å; I880-F1232 HydrophobicContact CD1-CZ 3.7Å; I880-F1232 HydrophobicContact CG1-CE2 4.18Å; F1232-S1234 VanDerWaalsContact C-N 3.28Å; F1232-S1234 PolarHBondContact O-N 2.91Å; F1232-W1582 VanDerWaalsContact C-CH2 3.43Å; F1232-W1582 VanDerWaalsContact C-CZ2 3.47Å; F1232-W1582 WeakPolarHBondContact O-CH2 3.41Å; F1232-W1582 WeakPolarHBondContact O-CZ3 3.4Å
1233	E	29.1	Very low	29	Very low	152.2 Å²	152.2	137.8 Å²	137.8	71%	0.711	71%	0.705	S	S	*	*				177.6	123.3	108.8	-114.5	167	-161.8	0	0	113.1	I1231 Y1235 W1582	I1231-E1233 PolarHBondContact O-N 3.45Å; E1233-Y1235 HydrophobicContact CB-CD2 3.87Å; E1233-Y1235 HydrophobicContact CB-CE2 4.02Å; E1233-Y1235 HydrophobicContact CG-CD2 3.63Å; E1233-Y1235 HydrophobicContact CG-CE2 3.87Å; E1233-Y1235 HydrophobicContact CG-CG 4.49Å; E1233-Y1235 PolarHBondContact O-N 3.4Å; E1233-Y1235 VanDerWaalsContact O-N 3.09Å; E1233-Y1235 WeakPolarHBondContact OE1-CE2 3.39Å; E1233-Y1235 PolarHBondContact OE1-OH 3.3Å; E1233-Y1235 VanDerWaalsContact OE2-CE2 3.28Å; E1233-Y1235 WeakPolarHBondContact OE2-CE2 3.45Å; E1233-W1582 WeakPolarHBondContact O-CZ3 3.39Å
1234	S	29.5	Very low	28.7	Very low	94.8 Å²	94.8	134.3 Å²	134.3	66%	0.663	70%	0.703	S	S	*	*			trans	-124.4	132.3	177.2	57.3	0	0	0	0	109.4	F1232 E1236	F1232-S1234 VanDerWaalsContact C-N 3.28Å; F1232-S1234 PolarHBondContact O-N 2.91Å; S1234-E1236 PolarHBondContact O-N 2.94Å; S1234-E1236 VanDerWaalsContact O-N 3.09Å
1235	Y	29.9	Very low	28.6	Very low	171.2 Å²	171.2	137.4 Å²	137.4	67%	0.671	71%	0.713	S	S	*	*			trans	-123.7	125.5	170	-87	-87	0	0	0	109.8	T996 V1000 V1001 E1233 H1237	T996-Y1235 VanDerWaalsContact CB-CE1 3.45Å; T996-Y1235 HydrophobicContact CG2-CD1 3.31Å; T996-Y1235 HydrophobicContact CG2-CD2 4.04Å; T996-Y1235 HydrophobicContact CG2-CE1 3.37Å; T996-Y1235 HydrophobicContact CG2-CE2 4.09Å; T996-Y1235 HydrophobicContact CG2-CG 3.61Å; V1000-Y1235 HydrophobicContact CB-CE1 4.06Å; V1000-Y1235 WeakPolarHBondContact CB-OH 3.2Å; V1000-Y1235 HydrophobicContact CG1-CE1 3.78Å; V1000-Y1235 WeakPolarHBondContact CG1-OH 3.4Å; V1000-Y1235 PolarHBondContact O-OH 3.49Å; V1001-Y1235 PolarHBondContact N-OH 3.21Å; E1233-Y1235 HydrophobicContact CB-CD2 3.87Å; E1233-Y1235 HydrophobicContact CB-CE2 4.02Å; E1233-Y1235 HydrophobicContact CG-CD2 3.63Å; E1233-Y1235 HydrophobicContact CG-CE2 3.87Å; E1233-Y1235 HydrophobicContact CG-CG 4.49Å; E1233-Y1235 PolarHBondContact O-N 3.4Å; E1233-Y1235 VanDerWaalsContact O-N 3.09Å; E1233-Y1235 WeakPolarHBondContact OE1-CE2 3.39Å; E1233-Y1235 PolarHBondContact OE1-OH 3.3Å; E1233-Y1235 VanDerWaalsContact OE2-CE2 3.28Å; E1233-Y1235 WeakPolarHBondContact OE2-CE2 3.45Å; Y1235-H1237 PolarHBondContact O-N 3.12Å; Y1235-H1237 VanDerWaalsContact O-N 3.1Å
1236	E	27.7	Very low	28.3	Very low	148 Å²	148	137.8 Å²	137.8	69%	0.692	72%	0.72	S	S	*	*				27.1	125	121.4	-96.5	-174.1	168.6	0	0	113.6	S1234 V1238	S1234-E1236 PolarHBondContact O-N 2.94Å; S1234-E1236 VanDerWaalsContact O-N 3.09Å; E1236-V1238 HydrophobicContact CG-CG2 4.29Å; E1236-V1238 PolarHBondContact O-N 3.11Å
1237	H	31.1	Very low	28.1	Very low	147.4 Å²	147.4	135.7 Å²	135.7	68%	0.682	72%	0.717	S	S	*	*				-127.9	123	124.9	-76.4	-54.5	0	0	0	111.2	Y1235 I1239	Y1235-H1237 PolarHBondContact O-N 3.12Å; Y1235-H1237 VanDerWaalsContact O-N 3.1Å; H1237-I1239 PolarHBondContact O-N 3.1Å; H1237-I1239 VanDerWaalsContact O-N 3.12Å
1238	V	28.8	Very low	28	Very low	114 Å²	114	133.5 Å²	133.5	69%	0.691	72%	0.717	S	S	*	*			trans	30.2	117	140.8	-174.1	0	0	0	0	115.4	E1236 L1240	E1236-V1238 HydrophobicContact CG-CG2 4.29Å; E1236-V1238 PolarHBondContact O-N 3.11Å; V1238-L1240 PolarHBondContact O-N 2.82Å
1239	I	25.8	Very low	27.9	Very low	142.4 Å²	142.4	131.9 Å²	131.9	73%	0.73	71%	0.713	S	S	*	*			trans	-76.3	128.6	146.5	-63.9	168.3	0	0	0	110.8	H1237 T1241	H1237-I1239 PolarHBondContact O-N 3.1Å; H1237-I1239 VanDerWaalsContact O-N 3.12Å; I1239-T1241 HydrophobicContact CG2-CG2 4.17Å
1240	L	26.4	Very low	27.9	Very low	154 Å²	154	132 Å²	132	81%	0.806	71%	0.706	S	S	*	*			trans	-128.2	116.8	148.2	-95.9	158.5	0	0	0	111.6	V1238 M1242	V1238-L1240 PolarHBondContact O-N 2.82Å; L1240-M1242 PolarHBondContact O-N 3.08Å; L1240-M1242 VanDerWaalsContact O-N 3.09Å
1241	T	24.4	Very low	27.7	Very low	111 Å²	111	131.4 Å²	131.4	68%	0.681	70%	0.702	S	S	*	*			trans	-62.7	124.5	153	39.6	0	0	0	0	113.7	I1239 N1243	I1239-T1241 HydrophobicContact CG2-CG2 4.17Å; T1241-N1243 PolarHBondContact O-N 3.42Å
1242	M	24.5	Very low	27.5	Very low	162.2 Å²	162.2	134.3 Å²	134.3	80%	0.799	71%	0.706	S	S	*	*			trans	-121.6	103.7	148.7	-79.1	-74.9	174	0	0	112.6	L1240 S1244	L1240-M1242 PolarHBondContact O-N 3.08Å; L1240-M1242 VanDerWaalsContact O-N 3.09Å; M1242-S1244 PolarHBondContact O-N 3.25Å
1243	N	26.3	Very low	27.3	Very low	141.2 Å²	141.2	131.1 Å²	131.1	76%	0.755	70%	0.704	S	S	*	*			trans	13.6	102.7	141.6	-62.5	-23.1	0	0	0	115.4	T1241	T1241-N1243 PolarHBondContact O-N 3.42Å
1244	S	25.1	Very low	27.1	Very low	98 Å²	98	127.8 Å²	127.8	69%	0.685	70%	0.703	S	S	*	*			trans	-11	144.9	144.8	56.8	0	0	0	0	117.1	M1242	M1242-S1244 PolarHBondContact O-N 3.25Å
1245	P	28.9	Very low	26.9	Very low	116.4 Å²	116.4	133.4 Å²	133.4	76%	0.756	71%	0.711	S	S	*	*			trans	-114.3	144.1	139.3	37	-26.7	0	0	0	112.5	S1247	P1245-S1247 PolarHBondContact O-N 3.25Å
1246	T	27	Very low	26.7	Very low	121.6 Å²	121.6	132.1 Å²	132.1	75%	0.746	71%	0.714	S	S	*	*			trans	-60.5	123.9	152.3	38.2	0	0	0	0	114.8
1247	S	27.2	Very low	26.6	Very low	95.4 Å²	95.4	134 Å²	134	67%	0.667	72%	0.72	S	S	*	*			trans	-159	132.7	131.9	62.9	0	0	0	0	113.5	P1245 D1249	P1245-S1247 PolarHBondContact O-N 3.25Å; S1247-D1249 WeakPolarHBondContact CB-OD1 3.38Å; S1247-D1249 PolarHBondContact OG-OD1 3.33Å
1248	L	28.1	Very low	26.3	Very low	139.6 Å²	139.6	132 Å²	132	73%	0.731	72%	0.722	S	S	*	*				153.4	115.9	97.3	-129.8	94.8	0	0	0	113.9	F1273 F1546	L1248-F1273 HydrophobicContact CD1-CE1 4.17Å; L1248-F1273 HydrophobicContact CD1-CZ 4.4Å; L1248-F1546 VanDerWaalsContact C-CB 3.46Å; L1248-F1546 WeakPolarHBondContact O-CB 3.32Å
1249	D	27.9	Very low	26.4	Very low	115.6 Å²	115.6	132.1 Å²	132.1	62%	0.618	72%	0.724	S	S	*	*			trans	42	0	142.9	-75.4	-0.6	0	0	0	117.7	S1247 N1251 F1546	S1247-D1249 WeakPolarHBondContact CB-OD1 3.38Å; S1247-D1249 PolarHBondContact OG-OD1 3.33Å; D1249-N1251 PolarHBondContact O-N 3.32Å; D1249-F1546 HydrophobicContact CB-CD2 3.97Å; D1249-F1546 HydrophobicContact CB-CE1 4.45Å; D1249-F1546 HydrophobicContact CB-CE2 3.37Å; D1249-F1546 HydrophobicContact CB-CZ 3.64Å; D1249-F1546 VanDerWaalsContact N-CD2 3.32Å; D1249-F1546 WeakPolarHBondContact O-CD1 3.35Å; D1249-F1546 WeakPolarHBondContact O-CD2 3.36Å; D1249-F1546 WeakPolarHBondContact O-CE1 3.35Å; D1249-F1546 WeakPolarHBondContact O-CE2 3.16Å; D1249-F1546 WeakPolarHBondContact O-CG 3.26Å; D1249-F1546 WeakPolarHBondContact O-CZ 3.4Å
1250	N	27.4	Very low	26.5	Very low	110 Å²	110	132.3 Å²	132.3	59%	0.588	73%	0.727	S	S	*	*				0	113.6	0	-64.7	-36.3	0	0	0	120.5	Y1252 F1546 N1570	N1250-Y1252 HydrophobicContact CB-CD2 4.16Å; N1250-Y1252 HydrophobicContact CB-CE2 4.41Å; N1250-Y1252 WeakPolarHBondContact OD1-CE2 3.43Å; N1250-F1546 HydrophobicContact CB-CD1 3.84Å; N1250-F1546 HydrophobicContact CB-CE1 2.93Å; N1250-F1546 HydrophobicContact CB-CE2 4.12Å; N1250-F1546 HydrophobicContact CB-CZ 3.15Å; N1250-F1546 WeakPolarHBondContact ND2-CZ 3.47Å; N1250-F1546 WeakPolarHBondContact O-CD1 3.13Å; N1250-N1570 PolarHBondContact O-ND2 3.43Å
1251	N	26.2	Very low	26.6	Very low	118.8 Å²	118.8	131.8 Å²	131.8	64%	0.635	73%	0.725	S	S	*	*				73.4	97.1	115.6	-63.7	-22.8	0	0	0	116.2	D1249 K1566 N1570	D1249-N1251 PolarHBondContact O-N 3.32Å; N1251-K1566 CarbonylContact C-O 3.59Å; N1251-K1566 WeakPolarHBondContact CA-O 3.35Å; N1251-K1566 HydrophobicContact CB-CB 4.04Å; N1251-K1566 HydrophobicContact CB-CD 3.96Å; N1251-K1566 HydrophobicContact CB-CG 3.96Å; N1251-K1566 PolarHBondContact ND2-NZ 2.96Å; N1251-K1566 WeakPolarHBondContact OD1-CB 3.19Å; N1251-N1570 PolarHBondContact N-ND2 2.81Å; N1251-N1570 PolarHBondContact O-ND2 3.12Å; N1251-N1570 PolarHBondContact O-OD1 3.4Å
1252	Y	27.2	Very low	26.8	Very low	201.2 Å²	201.2	134.4 Å²	134.4	79%	0.789	73%	0.732	S	S	*	*			trans	-152.8	108.7	137	-96.8	-79.4	0	0	0	111.8	N1250 A1254 K1566 T1569 N1570	N1250-Y1252 HydrophobicContact CB-CD2 4.16Å; N1250-Y1252 HydrophobicContact CB-CE2 4.41Å; N1250-Y1252 WeakPolarHBondContact OD1-CE2 3.43Å; Y1252-A1254 VanDerWaalsContact C-N 3.32Å; Y1252-A1254 PolarHBondContact O-N 2.93Å; Y1252-A1254 VanDerWaalsContact O-N 3.09Å; Y1252-K1566 VanDerWaalsContact CE1-CE 3.46Å; Y1252-K1566 PolarHBondContact N-O 3.45Å; Y1252-K1566 WeakPolarHBondContact OH-CE 3.12Å; Y1252-K1566 PolarHBondContact OH-NZ 3.09Å; Y1252-K1566 VanDerWaalsContact OH-NZ 3.15Å; Y1252-T1569 PolarHBondContact N-OG1 3.26Å; Y1252-T1569 PolarHBondContact O-OG1 3.36Å; Y1252-N1570 PolarHBondContact N-OD1 3.07Å; Y1252-N1570 VanDerWaalsContact N-OD1 3.08Å
1253	S	25.3	Very low	27.1	Very low	97.2 Å²	97.2	133.8 Å²	133.8	68%	0.68	73%	0.732	S	S	*	*			trans	-89.2	130.2	162.9	61.2	0	0	0	0	112.1	Y1255 T1569	S1253-Y1255 PolarHBondContact O-N 3.26Å; S1253-T1569 PolarHBondContact N-OG1 3.5Å; S1253-T1569 VanDerWaalsContact O-CG2 3.28Å; S1253-T1569 WeakPolarHBondContact O-CG2 3.12Å
1254	A	24.7	Very low	27.3	Very low	84.6 Å²	84.6	134 Å²	134	70%	0.699	73%	0.728	S	S	*	*			trans	-110.8	143.3	165.3	0	0	0	0	0	110.7	Y1252 I1256	Y1252-A1254 VanDerWaalsContact C-N 3.32Å; Y1252-A1254 PolarHBondContact O-N 2.93Å; Y1252-A1254 VanDerWaalsContact O-N 3.09Å; A1254-I1256 PolarHBondContact O-N 2.83Å
1255	Y	24.3	Very low	27.6	Very low	211 Å²	211	137.5 Å²	137.5	83%	0.827	73%	0.731	S	S	*	*				-90.4	141.2	129.1	-109	-107.7	0	0	0	108.8	S1253 K1257	S1253-Y1255 PolarHBondContact O-N 3.26Å; Y1255-K1257 PolarHBondContact O-N 3.42Å
1256	I	25.3	Very low	27.6	Very low	145.4 Å²	145.4	141.1 Å²	141.1	75%	0.746	74%	0.735	S	S	*	*				-122.7	133.4	85.1	-58.7	176.9	0	0	0	107.1	A1254 C1258	A1254-I1256 PolarHBondContact O-N 2.83Å; I1256-C1258 PolarHBondContact O-N 3.17Å
1257	K	26.2	Very low	27.7	Very low	187.2 Å²	187.2	138.8 Å²	138.8	81%	0.814	74%	0.735	S	S	*	*			trans	-76.8	112.5	130.1	-105.3	171.9	175.9	-178.8	0	113.8	Y1255	Y1255-K1257 PolarHBondContact O-N 3.42Å
1258	C	25.4	Very low	27.8	Very low	105.6 Å²	105.6	141.4 Å²	141.4	71%	0.714	74%	0.74	S	S	*	*			trans	-71.2	157.5	150.9	-68.5	0	0	0	0	109.1	I1256 D1260	I1256-C1258 PolarHBondContact O-N 3.17Å; C1258-D1260 PolarHBondContact O-N 3.18Å
1259	P	29.9	Very low	27.8	Very low	114.8 Å²	114.8	141.5 Å²	141.5	75%	0.745	74%	0.74	S	S	*	*				-107.8	144.7	112.3	14.8	3.7	0	0	0	113.1	N1261	P1259-N1261 PolarHBondContact O-N 3.2Å
1260	D	28.6	Very low	27.8	Very low	146.8 Å²	146.8	143.8 Å²	143.8	79%	0.785	75%	0.747	S	S	*	*			trans	-25	124.1	130.5	-56.3	-36.8	0	0	0	114.9	C1258	C1258-D1260 PolarHBondContact O-N 3.18Å
1261	N	29.4	Very low	27.8	Very low	143.8 Å²	143.8	145.6 Å²	145.6	77%	0.769	75%	0.752	S	S	*	*				173.1	112.1	123.8	-115.4	-20	0	0	0	115	P1259	P1259-N1261 PolarHBondContact O-N 3.2Å
1262	M	28	Very low	27.8	Very low	166.2 Å²	166.2	145.1 Å²	145.1	82%	0.819	75%	0.753	S	S	*	*			trans	-141.9	116.4	141.3	-76.7	-61.3	-150.6	0	0	112.1	E1264	M1262-E1264 VanDerWaalsContact C-N 3.25Å; M1262-E1264 HydrophobicContact CE-CG 4.29Å; M1262-E1264 PolarHBondContact O-N 2.97Å
1263	D	30.6	Very low	27.7	Very low	149.6 Å²	149.6	143.6 Å²	143.6	80%	0.8	75%	0.751	S	S	*	*			trans	-82.9	114.1	147.1	-93.6	-38.1	0	0	0	112.9	K1265	D1263-K1265 IonicContact OD1-NZ 2.62Å; D1263-K1265 PolarHBondContact OD1-NZ 3.32Å
1264	E	30.3	Very low	27.8	Very low	145 Å²	145	148.9 Å²	148.9	68%	0.678	76%	0.757	S	S	*	*			trans	-157.2	123.4	146.7	-83.4	-170	148.5	0	0	114.5	M1262 K1266	M1262-E1264 VanDerWaalsContact C-N 3.25Å; M1262-E1264 HydrophobicContact CE-CG 4.29Å; M1262-E1264 PolarHBondContact O-N 2.97Å; E1264-K1266 PolarHBondContact O-N 2.89Å; E1264-K1266 IonicContact OE1-NZ 2.64Å; E1264-K1266 PolarHBondContact OE1-NZ 3.41Å; E1264-K1266 IonicContact OE2-NZ 3.7Å
1265	K	31.3	Very low	28	Very low	171 Å²	171	149.9 Å²	149.9	74%	0.743	76%	0.757	S	S	*	*			trans	5	110.6	138.4	-72.2	165.3	-174.2	151.9	0	115.4	D1263	D1263-K1265 IonicContact OD1-NZ 2.62Å; D1263-K1265 PolarHBondContact OD1-NZ 3.32Å
1266	K	30	Very low	28	Very low	192.8 Å²	192.8	149.8 Å²	149.8	84%	0.838	76%	0.756	S	S	*	*			trans	104.7	105.1	141.4	-68.4	176.6	-177.7	171.2	0	115.8	E1264	E1264-K1266 PolarHBondContact O-N 2.89Å; E1264-K1266 IonicContact OE1-NZ 2.64Å; E1264-K1266 PolarHBondContact OE1-NZ 3.41Å; E1264-K1266 IonicContact OE2-NZ 3.7Å
1267	G	29	Very low	28	Very low	73.4 Å²	73.4	150.6 Å²	150.6	76%	0.757	76%	0.756	S	S	*	*			trans	-161.7	70.4	160.6	0	0	0	0	0	114.5	I1269	G1267-I1269 PolarHBondContact O-N 3.23Å
1268	I	28.6	Very low	28	Very low	150.4 Å²	150.4	149.2 Å²	149.2	77%	0.771	75%	0.753	S	S	*	*			trans	21.8	100.7	143.2	-59.9	175.3	0	0	0	112.4
1269	I	28.4	Very low	28	Very low	141.6 Å²	141.6	153.1 Å²	153.1	73%	0.726	75%	0.754	S	S	*	*			trans	75	116.2	131.4	-58.2	179.6	0	0	0	113.7	G1267 E1271	G1267-I1269 PolarHBondContact O-N 3.23Å; I1269-E1271 HydrophobicContact CG2-CB 3.69Å; I1269-E1271 PolarHBondContact O-N 3.41Å
1270	H	27.8	Very low	27.9	Very low	163.6 Å²	163.6	155.9 Å²	155.9	76%	0.757	76%	0.757	S	S	*	*			trans	-79.9	119.4	140.3	-94.6	-94.6	0	0	0	114.2	T1272	H1270-T1272 PolarHBondContact ND1-OG1 3.25Å; H1270-T1272 PolarHBondContact O-N 2.93Å; H1270-T1272 PolarHBondContact O-OG1 2.99Å
1271	E	26.6	Very low	27.9	Very low	148.2 Å²	148.2	155.7 Å²	155.7	69%	0.693	75%	0.751	S	S	*	*			trans	-62.1	126.8	143.3	-95.9	174.5	143.2	0	0	114.4	I1269 F1273	I1269-E1271 HydrophobicContact CG2-CB 3.69Å; I1269-E1271 PolarHBondContact O-N 3.41Å; E1271-F1273 HydrophobicContact CB-CD2 4.48Å; E1271-F1273 HydrophobicContact CB-CE2 4.23Å; E1271-F1273 HydrophobicContact CG-CE2 4.14Å
1272	T	27.6	Very low	27.8	Very low	108.2 Å²	108.2	156.5 Å²	156.5	66%	0.664	75%	0.751	S	S	*	*				-121.7	124.2	106.8	23.2	0	0	0	0	114.5	H1270	H1270-T1272 PolarHBondContact ND1-OG1 3.25Å; H1270-T1272 PolarHBondContact O-N 2.93Å; H1270-T1272 PolarHBondContact O-OG1 2.99Å
1273	F	25.6	Very low	27.7	Very low	169.6 Å²	169.6	156.5 Å²	156.5	74%	0.744	75%	0.749	S	S	*	*			trans	48.3	116.3	150.8	-68.6	-81.7	0	0	0	120.1	L1248 E1271	L1248-F1273 HydrophobicContact CD1-CE1 4.17Å; L1248-F1273 HydrophobicContact CD1-CZ 4.4Å; E1271-F1273 HydrophobicContact CB-CD2 4.48Å; E1271-F1273 HydrophobicContact CB-CE2 4.23Å; E1271-F1273 HydrophobicContact CG-CE2 4.14Å
1274	Y	26	Very low	27.5	Very low	208.6 Å²	208.6	156.9 Å²	156.9	82%	0.818	75%	0.75	S	S	*	*				-99.8	145.3	129.7	-90	-88.8	0	0	0	113.2	Y1276	Y1274-Y1276 PolarHBondContact O-N 3.41Å
1275	P	29.4	Very low	27.4	Very low	105.8 Å²	105.8	155.3 Å²	155.3	69%	0.687	75%	0.75	S	S	*	*			trans	-93.5	142.6	166.3	19.5	-8.2	0	0	0	113.2	H1277	P1275-H1277 PolarHBondContact O-N 3.47Å; P1275-H1277 VanDerWaalsContact O-N 3.08Å
1276	Y	23.6	Very low	27.2	Very low	208.6 Å²	208.6	154.3 Å²	154.3	82%	0.818	75%	0.748	S	S	*	*			trans	-61.1	127.9	145.6	-133.6	-100.8	0	0	0	110.8	Y1274 Q1278	Y1274-Y1276 PolarHBondContact O-N 3.41Å; Y1276-Q1278 HydrophobicContact CD1-CG 4.45Å
1277	H	26.5	Very low	27.2	Very low	160.8 Å²	160.8	151.5 Å²	151.5	74%	0.744	74%	0.742	S	S	*	*			trans	-91.3	140.6	160.9	-85.4	-82.9	0	0	0	113.3	P1275 Y1279	P1275-H1277 PolarHBondContact O-N 3.47Å; P1275-H1277 VanDerWaalsContact O-N 3.08Å; H1277-Y1279 AromaticContact ND1-CD2 3.85Å; H1277-Y1279 AromaticContact ND1-CE2 3.68Å
1278	Q	26.6	Very low	27.1	Very low	159 Å²	159	153.7 Å²	153.7	74%	0.743	74%	0.737	S	S	*	*			trans	-87.6	133.6	155.3	-101.5	163.6	-63.6	0	0	113.1	Y1276 E1280	Y1276-Q1278 HydrophobicContact CD1-CG 4.45Å; Q1278-E1280 PolarHBondContact O-N 3.27Å
1279	Y	24.7	Very low	27.1	Very low	186.6 Å²	186.6	154 Å²	154	73%	0.732	74%	0.735	S	S	*	*				-83	124.4	125.2	-102.7	-95.4	0	0	0	112.3	H1277 Q1281	H1277-Y1279 AromaticContact ND1-CD2 3.85Å; H1277-Y1279 AromaticContact ND1-CE2 3.68Å; Y1279-Q1281 HydrophobicContact CD1-CB 4.34Å; Y1279-Q1281 HydrophobicContact CD1-CG 4.02Å; Y1279-Q1281 VanDerWaalsContact CE1-CD 3.46Å; Y1279-Q1281 HydrophobicContact CE1-CG 3.95Å
1280	E	28.4	Very low	27	Very low	173.6 Å²	173.6	152.2 Å²	152.2	81%	0.811	73%	0.731	S	S	*	*			trans	-115.7	123.1	145.1	-73.1	-168.5	136.3	0	0	108.6	Q1278 Q1282	Q1278-E1280 PolarHBondContact O-N 3.27Å; E1280-Q1282 PolarHBondContact O-N 2.72Å
1281	Q	26.6	Very low	26.9	Very low	143.2 Å²	143.2	151.7 Å²	151.7	67%	0.669	73%	0.728	S	S	*	*			trans	-113.4	136.7	141	-93.6	-178.2	-2.4	0	0	109.9	Y1279	Y1279-Q1281 HydrophobicContact CD1-CB 4.34Å; Y1279-Q1281 HydrophobicContact CD1-CG 4.02Å; Y1279-Q1281 VanDerWaalsContact CE1-CD 3.46Å; Y1279-Q1281 HydrophobicContact CE1-CG 3.95Å
1282	Q	28.1	Very low	26.8	Very low	161 Å²	161	149.3 Å²	149.3	75%	0.752	72%	0.724	S	S	*	*			trans	73.5	113.3	145.3	-64.7	178	16.4	0	0	115.7	E1280	E1280-Q1282 PolarHBondContact O-N 2.72Å
1283	Q	27.1	Very low	26.6	Very low	166 Å²	166	153.7 Å²	153.7	78%	0.776	73%	0.73	S	S	*	*				98.5	112	96.9	-85.4	173.1	19.9	0	0	113.9	T1285	Q1283-T1285 VanDerWaalsContact C-N 3.31Å; Q1283-T1285 PolarHBondContact O-N 3.19Å; Q1283-T1285 VanDerWaalsContact O-N 3.15Å
1284	L	25.9	Very low	26.6	Very low	157.6 Å²	157.6	151.9 Å²	151.9	83%	0.825	73%	0.727	S	S	*	*				-8.9	138.8	120	-77.8	147.8	0	0	0	112
1285	T	27.5	Very low	26.6	Very low	111.2 Å²	111.2	147.9 Å²	147.9	68%	0.682	72%	0.72	S	S	*	*				-119.9	157.8	123.4	-30.7	0	0	0	0	109.5	Q1283 D1287	Q1283-T1285 VanDerWaalsContact C-N 3.31Å; Q1283-T1285 PolarHBondContact O-N 3.19Å; Q1283-T1285 VanDerWaalsContact O-N 3.15Å; T1285-D1287 PolarHBondContact O-N 3.42Å
1286	E	27.2	Very low	26.4	Very low	150.8 Å²	150.8	149.2 Å²	149.2	71%	0.705	72%	0.721	S	S	*	*			trans	-16	120.7	163.4	-81	156.9	168.5	0	0	114	N897	N897-E1286 PolarHBondContact ND2-OE2 2.82Å
1287	D	29.4	Very low	26.6	Very low	132.8 Å²	132.8	148.1 Å²	148.1	71%	0.71	72%	0.72	S	S	*	*				160.2	124	122.9	-85.1	-13	0	0	0	115.7	E895 T1285 Q1289	E895-D1287 WeakPolarHBondContact CA-OD2 3.08Å; E895-D1287 PolarHBondContact N-OD2 3.49Å; T1285-D1287 PolarHBondContact O-N 3.42Å; D1287-Q1289 PolarHBondContact O-N 3.38Å
1288	N	26.9	Very low	26.6	Very low	120.4 Å²	120.4	147.7 Å²	147.7	64%	0.644	72%	0.719	S	S	*	*			trans	31.2	139.3	138.7	-81.6	-51.1	0	0	0	115.4	T894 E895 T1290	T894-N1288 VanDerWaalsContact CA-ND2 3.29Å; T894-N1288 WeakPolarHBondContact CA-ND2 3.46Å; T894-N1288 VanDerWaalsContact N-CG 3.27Å; T894-N1288 PolarHBondContact N-ND2 2.83Å; T894-N1288 PolarHBondContact N-OD1 3.05Å; T894-N1288 PolarHBondContact O-ND2 3.37Å; E895-N1288 HydrophobicContact CG-CB 3.73Å; E895-N1288 PolarHBondContact N-ND2 2.94Å; N1288-T1290 HydrophobicContact CB-CG2 4.26Å; N1288-T1290 WeakPolarHBondContact OD1-CG2 3.38Å
1289	Q	29.8	Very low	26.7	Very low	157.6 Å²	157.6	147.4 Å²	147.4	74%	0.736	72%	0.718	S	S	*	*				-173.9	120.8	114	-77.9	-176.9	16.1	0	0	113.3	E895 D1287	E895-Q1289 HydrophobicContact CG-CG 4.41Å; E895-Q1289 WeakPolarHBondContact OE1-CG 3.47Å; E895-Q1289 PolarHBondContact OE1-NE2 3.44Å; D1287-Q1289 PolarHBondContact O-N 3.38Å
1290	T	26.1	Very low	26.7	Very low	103.8 Å²	103.8	145.9 Å²	145.9	64%	0.637	72%	0.717	S	S	*	*			trans	42.4	136.4	133.7	58.7	0	0	0	0	118.4	T893 T894 E895 N1288	T893-T1290 HydrophobicContact CG2-CG2 3.63Å; T894-T1290 HydrophobicContact CG2-CG2 3.97Å; E895-T1290 HydrophobicContact CG-CG2 4.1Å; E895-T1290 WeakPolarHBondContact OE1-CG2 3.37Å; E895-T1290 PolarHBondContact OE1-OG1 3.33Å; N1288-T1290 HydrophobicContact CB-CG2 4.26Å; N1288-T1290 WeakPolarHBondContact OD1-CG2 3.38Å
1291	H	24.8	Very low	26.7	Very low	152.8 Å²	152.8	144.7 Å²	144.7	71%	0.707	71%	0.712	S	S	*	*			cis	149.6	135.7	49.1	-98.2	-41	0	0	0	112.3	E892 T893	E892-H1291 WeakPolarHBondContact CG-O 3.49Å; E892-H1291 VanDerWaalsContact OE1-C 3.29Å; E892-H1291 IonicContact OE1-CE1 2.65Å; E892-H1291 PolarHBondContact OE1-CE1 2.69Å; E892-H1291 IonicContact OE1-CG 3.35Å; E892-H1291 IonicContact OE1-ND1 2.6Å; E892-H1291 PolarHBondContact OE1-ND1 2.63Å; E892-H1291 IonicContact OE2-CE1 3.81Å; E892-H1291 PolarHBondContact OE2-CE1 3.39Å; E892-H1291 IonicContact OE2-ND1 2.77Å; E892-H1291 PolarHBondContact OE2-ND1 3.34Å; T893-H1291 HydrophobicContact CG2-CB 4.32Å
1292	T	25.5	Very low	26.8	Very low	96.6 Å²	96.6	144.9 Å²	144.9	59%	0.593	71%	0.713	S	S	*	*				154.5	143.1	58.2	-6.9	0	0	0	0	114.4	E892 L1294	E892-T1292 PolarHBondContact OE1-N 2.71Å; T1292-L1294 PolarHBondContact O-N 3.12Å
1293	Y	23.3	Very low	26.8	Very low	200.6 Å²	200.6	146.4 Å²	146.4	79%	0.787	71%	0.713	S	S	*	*			trans	61.2	141	160.9	-75.2	-85.2	0	0	0	116.3
1294	L	25	Very low	26.7	Very low	132.4 Å²	132.4	147.6 Å²	147.6	69%	0.693	71%	0.712	S	S	*	*			cis	-152.3	147.9	-13	-140.2	78.3	0	0	0	109.1	T1292	T1292-L1294 PolarHBondContact O-N 3.12Å
1295	N	25.4	Very low	26.7	Very low	125.2 Å²	125.2	150.3 Å²	150.3	67%	0.67	71%	0.712	S	S	*	*			trans	56.9	119.6	146	-99.3	-21	0	0	0	119.2
1296	N	26.1	Very low	26.5	Very low	131.8 Å²	131.8	155.3 Å²	155.3	71%	0.705	72%	0.72	S	S	*	*				74.6	110.7	127.7	-69.8	-46.7	0	0	0	118.4
1297	K	27.6	Very low	26.5	Very low	185.6 Å²	185.6	153.2 Å²	153.2	81%	0.807	72%	0.719	S	S	*	*				161.6	122.1	117.3	-82	178.6	175.6	-179.1	0	113.4
1298	Q	27.6	Very low	26.2	Very low	153 Å²	153	154.9 Å²	154.9	72%	0.715	73%	0.728	S	S	*	*				174.3	130.3	109.9	-101.2	-171.6	-10.3	0	0	113	Q1300	Q1298-Q1300 PolarHBondContact O-N 2.85Å
1299	Q	27	Very low	26.1	Very low	153 Å²	153	155.7 Å²	155.7	72%	0.715	73%	0.731	S	S	*	*			trans	65.8	130.3	150.3	-63.8	177.4	19.4	0	0	115.3	Q1301	Q1299-Q1301 PolarHBondContact O-N 2.85Å
1300	Q	26.5	Very low	25.9	Very low	155.6 Å²	155.6	156 Å²	156	73%	0.727	73%	0.732	S	S	*	*				-118.3	128.1	120.7	-87.8	176	37.4	0	0	110.9	Q1298 Q1302	Q1298-Q1300 PolarHBondContact O-N 2.85Å; Q1300-Q1302 HydrophobicContact CB-CG 4.32Å; Q1300-Q1302 PolarHBondContact O-N 3.26Å
1301	Q	28.2	Very low	25.9	Very low	148.6 Å²	148.6	160 Å²	160	69%	0.694	74%	0.741	S	S	*	*				-132.7	132	128.6	-73.7	178.6	18.9	0	0	111.3	Q1299 Y1303	Q1299-Q1301 PolarHBondContact O-N 2.85Å; Q1301-Y1303 HydrophobicContact CB-CE2 4.22Å; Q1301-Y1303 PolarHBondContact O-N 2.9Å; Q1301-Y1303 VanDerWaalsContact O-N 3.12Å; Q1301-Y1303 PolarHBondContact OE1-OH 3.47Å
1302	Q	27.5	Very low	26	Very low	147 Å²	147	160.8 Å²	160.8	69%	0.687	74%	0.742	S	S	*	*			trans	-88.8	138.6	153.3	-85.9	166.5	-42.4	0	0	109.7	Q1300 Y1304	Q1300-Q1302 HydrophobicContact CB-CG 4.32Å; Q1300-Q1302 PolarHBondContact O-N 3.26Å; Q1302-Y1304 HydrophobicContact CB-CD2 4.08Å; Q1302-Y1304 HydrophobicContact CB-CE2 3.88Å; Q1302-Y1304 HydrophobicContact CG-CE2 4.35Å; Q1302-Y1304 PolarHBondContact NE2-OH 3.15Å; Q1302-Y1304 PolarHBondContact O-N 3.23Å; Q1302-Y1304 VanDerWaalsContact OE1-CZ 3.3Å; Q1302-Y1304 PolarHBondContact OE1-OH 3.02Å
1303	Y	27.8	Very low	26.1	Very low	192 Å²	192	165.6 Å²	165.6	75%	0.753	76%	0.755	S	S	*	*				-107.1	137.4	122	-92.8	-76.2	0	0	0	111.3	Q1301 Y1305	Q1301-Y1303 HydrophobicContact CB-CE2 4.22Å; Q1301-Y1303 PolarHBondContact O-N 2.9Å; Q1301-Y1303 VanDerWaalsContact O-N 3.12Å; Q1301-Y1303 PolarHBondContact OE1-OH 3.47Å; Y1303-Y1305 PolarHBondContact O-N 3.35Å
1304	Y	25.4	Very low	26.4	Very low	191.4 Å²	191.4	164.4 Å²	164.4	75%	0.751	76%	0.757	S	S	*	*			trans	-107.4	121.6	178.9	-82.9	-80.6	0	0	0	111	Q1302	Q1302-Y1304 HydrophobicContact CB-CD2 4.08Å; Q1302-Y1304 HydrophobicContact CB-CE2 3.88Å; Q1302-Y1304 HydrophobicContact CG-CE2 4.35Å; Q1302-Y1304 PolarHBondContact NE2-OH 3.15Å; Q1302-Y1304 PolarHBondContact O-N 3.23Å; Q1302-Y1304 VanDerWaalsContact OE1-CZ 3.3Å; Q1302-Y1304 PolarHBondContact OE1-OH 3.02Å
1305	Y	26.3	Very low	26.6	Very low	214 Å²	214	161.4 Å²	161.4	84%	0.839	76%	0.757	S	S	*	*			trans	-127.8	130.8	150.2	-117.9	-89.9	0	0	0	111.1	Y1303 P1307	Y1303-Y1305 PolarHBondContact O-N 3.35Å; Y1305-P1307 WeakPolarHBondContact O-CD 3.41Å
1306	Y	24	Very low	26.7	Very low	215.6 Å²	215.6	160.7 Å²	160.7	85%	0.845	76%	0.762	S	S	*	*			trans	-81.4	133.6	168	-82.7	-90.2	0	0	0	110.9	L1308	Y1306-L1308 PolarHBondContact O-N 3.02Å; Y1306-L1308 VanDerWaalsContact O-N 3.13Å
1307	P	26.3	Very low	26.7	Very low	106.6 Å²	106.6	162.9 Å²	162.9	69%	0.692	77%	0.768	S	S	*	*			trans	-102.6	138.8	150	29.1	-23.3	0	0	0	111.9	Y1305 I1309	Y1305-P1307 WeakPolarHBondContact O-CD 3.41Å; P1307-I1309 PolarHBondContact O-N 3.2Å
1308	L	23.5	Very low	26.6	Very low	169.2 Å²	169.2	161.7 Å²	161.7	89%	0.886	77%	0.77	S	S	*	*			trans	-65.6	124.5	174.6	-78	149.2	0	0	0	111.4	Y1306 Q1310	Y1306-L1308 PolarHBondContact O-N 3.02Å; Y1306-L1308 VanDerWaalsContact O-N 3.13Å; L1308-Q1310 VanDerWaalsContact C-N 3.33Å; L1308-Q1310 PolarHBondContact O-N 3.22Å; L1308-Q1310 VanDerWaalsContact O-N 3.07Å
1309	I	25.3	Very low	26.5	Very low	137.2 Å²	137.2	161.3 Å²	161.3	70%	0.704	77%	0.768	S	S	*	*			trans	-92.6	127.7	171.2	-58.8	174.7	0	0	0	109.2	P1307 F1311	P1307-I1309 PolarHBondContact O-N 3.2Å; I1309-F1311 HydrophobicContact CB-CE2 4.19Å; I1309-F1311 HydrophobicContact CG2-CD1 4.48Å; I1309-F1311 HydrophobicContact CG2-CD2 3.86Å; I1309-F1311 HydrophobicContact CG2-CE1 4.34Å; I1309-F1311 HydrophobicContact CG2-CE2 3.78Å; I1309-F1311 VanDerWaalsContact CG2-CE2 3.46Å; I1309-F1311 HydrophobicContact CG2-CG 4.39Å; I1309-F1311 HydrophobicContact CG2-CZ 4.03Å; I1309-F1311 PolarHBondContact O-N 3.1Å
1310	Q	25.5	Very low	26.4	Very low	165 Å²	165	161.7 Å²	161.7	77%	0.771	77%	0.774	S	S	*	*			trans	-86.9	115.2	175.9	-128	179.3	14.5	0	0	111.1	L1308 K1312	L1308-Q1310 VanDerWaalsContact C-N 3.33Å; L1308-Q1310 PolarHBondContact O-N 3.22Å; L1308-Q1310 VanDerWaalsContact O-N 3.07Å; Q1310-K1312 VanDerWaalsContact C-N 3.33Å; Q1310-K1312 PolarHBondContact O-N 3.4Å
1311	F	24.6	Very low	26.5	Very low	187.4 Å²	187.4	159.4 Å²	159.4	82%	0.822	77%	0.771	S	S	*	*			trans	-87.2	116.1	158.1	-77.9	-81.1	0	0	0	110.6	I1309 K1313	I1309-F1311 HydrophobicContact CB-CE2 4.19Å; I1309-F1311 HydrophobicContact CG2-CD1 4.48Å; I1309-F1311 HydrophobicContact CG2-CD2 3.86Å; I1309-F1311 HydrophobicContact CG2-CE1 4.34Å; I1309-F1311 HydrophobicContact CG2-CE2 3.78Å; I1309-F1311 VanDerWaalsContact CG2-CE2 3.46Å; I1309-F1311 HydrophobicContact CG2-CG 4.39Å; I1309-F1311 HydrophobicContact CG2-CZ 4.03Å; I1309-F1311 PolarHBondContact O-N 3.1Å; F1311-K1313 VanDerWaalsContact C-N 3.33Å; F1311-K1313 PolarHBondContact O-N 3.11Å
1312	K	28.5	Very low	26.3	Very low	168.8 Å²	168.8	158.9 Å²	158.9	73%	0.734	77%	0.773	S	S	*	*			trans	-92.4	126.1	146.6	-77.4	-174.1	177.5	-176.6	0	110.4	Q1310 E1314 L1448	Q1310-K1312 VanDerWaalsContact C-N 3.33Å; Q1310-K1312 PolarHBondContact O-N 3.4Å; K1312-E1314 VanDerWaalsContact C-N 3.28Å; K1312-E1314 PolarHBondContact O-N 2.87Å; K1312-E1314 VanDerWaalsContact O-N 3.09Å; K1312-L1448 PolarHBondContact NZ-O 3.16Å
1313	K	27.7	Very low	26.4	Very low	198 Å²	198	158.6 Å²	158.6	86%	0.861	78%	0.776	S	S	*	*			trans	-96.2	100.6	169.9	-156.1	-178.6	178.8	-164.7	0	110.6	F1311	F1311-K1313 VanDerWaalsContact C-N 3.33Å; F1311-K1313 PolarHBondContact O-N 3.11Å
1314	E	28.4	Very low	26.3	Very low	175.6 Å²	175.6	157 Å²	157	82%	0.821	78%	0.775	S	S	*	*			trans	-134.3	129.3	173.5	-123.8	167.9	-174.2	0	0	110.3	K1312	K1312-E1314 VanDerWaalsContact C-N 3.28Å; K1312-E1314 PolarHBondContact O-N 2.87Å; K1312-E1314 VanDerWaalsContact O-N 3.09Å
1315	G	29.5	Very low	26.5	Very low	68.8 Å²	68.8	156.3 Å²	156.3	71%	0.709	78%	0.776	S	S	*	*			trans	54.8	126.6	164	0	0	0	0	0	116.7	H1317	G1315-H1317 PolarHBondContact O-N 3.49Å
1316	S	27.4	Very low	26.5	Very low	110.8 Å²	110.8	154 Å²	154	78%	0.775	77%	0.773	S	S	*	*	S	Bend	trans	59.8	110.2	151.6	59.8	0	0	0	0	115.9
1317	H	26.1	Very low	26.6	Very low	177.4 Å²	177.4	152.1 Å²	152.1	82%	0.821	77%	0.774	S	S	*	*			trans	69.8	104.2	166.7	-75.3	-82.2	0	0	0	115.7	G1315 E1319	G1315-H1317 PolarHBondContact O-N 3.49Å; H1317-E1319 VanDerWaalsContact C-N 3.29Å; H1317-E1319 PolarHBondContact O-N 3.19Å; H1317-E1319 VanDerWaalsContact O-N 3.11Å
1318	L	25.7	Very low	26.6	Very low	160.6 Å²	160.6	156 Å²	156	84%	0.841	78%	0.78	S	S	*	*			trans	-122.5	115.8	137.8	-112	140.4	0	0	0	109.7	L1320	L1318-L1320 PolarHBondContact O-N 3.27Å
1319	E	25.4	Very low	26.8	Very low	144.2 Å²	144.2	157.4 Å²	157.4	67%	0.674	78%	0.779	S	S	*	*			trans	-53.5	132.8	165.1	-85.8	-179.1	158.4	0	0	113.3	H1317 T1321 Q1437	H1317-E1319 VanDerWaalsContact C-N 3.29Å; H1317-E1319 PolarHBondContact O-N 3.19Å; H1317-E1319 VanDerWaalsContact O-N 3.11Å; E1319-T1321 HydrophobicContact CB-CG2 4.31Å; E1319-T1321 PolarHBondContact O-N 3.18Å; E1319-Q1437 PolarHBondContact OE2-NE2 2.94Å
1320	L	24.7	Very low	26.8	Very low	161 Å²	161	155.8 Å²	155.8	84%	0.843	78%	0.78	S	S	*	*			trans	-70.2	104.9	158.8	-83.4	158	0	0	0	111.5	L1318 N1322	L1318-L1320 PolarHBondContact O-N 3.27Å; L1320-N1322 VanDerWaalsContact C-N 3.31Å; L1320-N1322 PolarHBondContact O-N 3.08Å; L1320-N1322 VanDerWaalsContact O-N 3.12Å
1321	T	27.9	Very low	26.7	Very low	108.4 Å²	108.4	155.4 Å²	155.4	67%	0.665	78%	0.783	S	S	*	*			trans	-85.2	123.3	158	39.2	0	0	0	0	112.1	E1319 N1323	E1319-T1321 HydrophobicContact CB-CG2 4.31Å; E1319-T1321 PolarHBondContact O-N 3.18Å; T1321-N1323 VanDerWaalsContact C-N 3.26Å; T1321-N1323 PolarHBondContact O-N 3.18Å
1322	N	25.5	Very low	26.8	Very low	137.4 Å²	137.4	151.6 Å²	151.6	74%	0.735	78%	0.779	S	S	*	*			trans	-77.1	99.2	175.8	-122.6	-23	0	0	0	111.7	L1320 H1324 C1428	L1320-N1322 VanDerWaalsContact C-N 3.31Å; L1320-N1322 PolarHBondContact O-N 3.08Å; L1320-N1322 VanDerWaalsContact O-N 3.12Å; N1322-H1324 VanDerWaalsContact C-N 3.31Å; N1322-H1324 PolarHBondContact O-N 2.94Å; N1322-C1428 PolarHBondContact ND2-SG 3.37Å; N1322-C1428 VanDerWaalsContact ND2-SG 3.45Å
1323	N	28.5	Very low	26.7	Very low	141 Å²	141	150.8 Å²	150.8	75%	0.754	78%	0.782	S	S	*	*			trans	-81.9	104.5	169.7	-95	-21	0	0	0	112.3	T1321 K1325	T1321-N1323 VanDerWaalsContact C-N 3.26Å; T1321-N1323 PolarHBondContact O-N 3.18Å; N1323-K1325 PolarHBondContact O-N 3.11Å; N1323-K1325 VanDerWaalsContact O-N 3.09Å
1324	H	26.1	Very low	26.6	Very low	157.6 Å²	157.6	150 Å²	150	73%	0.73	78%	0.779	S	S	*	*			trans	-49.1	126.1	163.1	-86.5	-74.9	0	0	0	112.7	N1322 E1326 V1427	N1322-H1324 VanDerWaalsContact C-N 3.31Å; N1322-H1324 PolarHBondContact O-N 2.94Å; H1324-E1326 VanDerWaalsContact C-N 3.31Å; H1324-E1326 WeakPolarHBondContact ND1-CG 3.41Å; H1324-E1326 PolarHBondContact O-N 2.7Å; H1324-V1427 WeakPolarHBondContact NE2-CG1 3.26Å
1325	K	29.7	Very low	26.3	Very low	178.6 Å²	178.6	149.1 Å²	149.1	78%	0.777	78%	0.778	S	S	*	*			trans	-109.1	108.2	145.6	-95.2	178.5	176	177.9	0	111.1	N1323 M1327 V1427	N1323-K1325 PolarHBondContact O-N 3.11Å; N1323-K1325 VanDerWaalsContact O-N 3.09Å; K1325-M1327 VanDerWaalsContact C-N 3.31Å; K1325-M1327 PolarHBondContact O-N 3.28Å; K1325-M1327 VanDerWaalsContact O-N 3.1Å; K1325-V1427 HydrophobicContact CD-CG2 4.2Å; K1325-V1427 VanDerWaalsContact NZ-CG2 3.35Å
1326	E	26.7	Very low	26.1	Very low	165.8 Å²	165.8	150.8 Å²	150.8	78%	0.775	78%	0.775	S	S	*	*			trans	-31.9	122.4	150.9	-65.3	-178.2	127.1	0	0	112.9	H1324 K1328	H1324-E1326 VanDerWaalsContact C-N 3.31Å; H1324-E1326 WeakPolarHBondContact ND1-CG 3.41Å; H1324-E1326 PolarHBondContact O-N 2.7Å; E1326-K1328 PolarHBondContact O-N 3.11Å
1327	M	26.1	Very low	26.1	Very low	175.6 Å²	175.6	149.6 Å²	149.6	87%	0.865	77%	0.767	S	S	*	*				-124.8	129.3	120.4	-109.2	178.2	90.7	0	0	111.7	K1325 K1329	K1325-M1327 VanDerWaalsContact C-N 3.31Å; K1325-M1327 PolarHBondContact O-N 3.28Å; K1325-M1327 VanDerWaalsContact O-N 3.1Å; M1327-K1329 PolarHBondContact O-N 3.07Å
1328	K	26.3	Very low	26	Very low	187.2 Å²	187.2	149.2 Å²	149.2	81%	0.814	76%	0.763	S	S	*	*			trans	-38	119.6	166.8	-62	174.2	-179.3	174.7	0	113.6	E1326	E1326-K1328 PolarHBondContact O-N 3.11Å
1329	K	27.2	Very low	26	Very low	198.4 Å²	198.4	148.6 Å²	148.6	86%	0.863	76%	0.76	S	S	*	*			trans	-168.2	136.7	140.8	-97.1	174.6	-178.6	178.3	0	110.5	M1327 N1331	M1327-K1329 PolarHBondContact O-N 3.07Å; K1329-N1331 PolarHBondContact O-N 3.36Å
1330	S	24.5	Very low	26	Very low	104.4 Å²	104.4	147.2 Å²	147.2	73%	0.73	76%	0.757	S	S	*	*			trans	-89.3	125.6	162.3	39.6	0	0	0	0	111.6
1331	N	24.6	Very low	26	Very low	157.2 Å²	157.2	144.3 Å²	144.3	84%	0.841	75%	0.75	S	S	*	*			trans	-92.7	93.3	159.8	-82.1	-5.3	0	0	0	112.1	K1329 I1333	K1329-N1331 PolarHBondContact O-N 3.36Å; N1331-I1333 VanDerWaalsContact C-N 3.31Å; N1331-I1333 PolarHBondContact O-N 3.17Å
1332	S	25.3	Very low	25.9	Very low	106.2 Å²	106.2	144.9 Å²	144.9	74%	0.743	75%	0.749	S	S	*	*			trans	-134.7	114.6	142.2	56.6	0	0	0	0	108.3
1333	I	27	Very low	25.9	Very low	151.6 Å²	151.6	143.2 Å²	143.2	78%	0.777	75%	0.748	S	S	*	*			trans	-98.4	117.8	159.1	-67.3	167.5	0	0	0	107.4	N1331 L1335	N1331-I1333 VanDerWaalsContact C-N 3.31Å; N1331-I1333 PolarHBondContact O-N 3.17Å; I1333-L1335 HydrophobicContact CG2-CB 4.29Å; I1333-L1335 HydrophobicContact CG2-CD1 4.37Å; I1333-L1335 PolarHBondContact O-N 3.29Å
1334	F	25	Very low	25.9	Very low	182.8 Å²	182.8	143.3 Å²	143.3	80%	0.802	75%	0.749	S	S	*	*			trans	-92.1	129.1	165.7	-103.7	-91	0	0	0	110.7	T1336	F1334-T1336 WeakPolarHBondContact CD1-OG1 3.4Å
1335	L	23.9	Very low	26	Very low	155.4 Å²	155.4	144.1 Å²	144.1	81%	0.814	75%	0.75	S	S	*	*			trans	-105.7	88.4	173.8	-108	146.9	0	0	0	109.7	I1333	I1333-L1335 HydrophobicContact CG2-CB 4.29Å; I1333-L1335 HydrophobicContact CG2-CD1 4.37Å; I1333-L1335 PolarHBondContact O-N 3.29Å
1336	T	24.7	Very low	25.8	Very low	105.6 Å²	105.6	142.4 Å²	142.4	65%	0.648	75%	0.748	S	S	*	*			trans	-149.8	118.3	148.7	57.7	0	0	0	0	113.3	F1334	F1334-T1336 WeakPolarHBondContact CD1-OG1 3.4Å
1337	S	26.8	Very low	25.9	Very low	84.8 Å²	84.8	140.6 Å²	140.6	59%	0.593	74%	0.744	S	S	*	*			trans	-132.4	121	153.1	49.9	0	0	0	0	111.3	T1443 Q1444	S1337-T1443 VanDerWaalsContact CB-OG1 3.26Å; S1337-T1443 WeakPolarHBondContact CB-OG1 3.09Å; S1337-Q1444 CarbonylContact C-O 3.51Å; S1337-Q1444 WeakPolarHBondContact CA-O 3.49Å; S1337-Q1444 VanDerWaalsContact CB-N 3.26Å; S1337-Q1444 WeakPolarHBondContact CB-O 3.41Å; S1337-Q1444 VanDerWaalsContact OG-CB 3.29Å; S1337-Q1444 WeakPolarHBondContact OG-CB 3.43Å; S1337-Q1444 PolarHBondContact OG-N 3.02Å; S1337-Q1444 PolarHBondContact OG-NE2 3.38Å; S1337-Q1444 VanDerWaalsContact OG-NE2 3.15Å; S1337-Q1444 PolarHBondContact OG-O 3.2Å; S1337-Q1444 PolarHBondContact OG-OE1 3.37Å
1338	F	24.5	Very low	25.8	Very low	169 Å²	169	136.7 Å²	136.7	74%	0.741	73%	0.734	S	S	*	*			trans	-124.9	143.6	135.1	-75.9	-99.8	0	0	0	111.2	N1340 T1442 T1443 Q1444	F1338-N1340 PolarHBondContact O-N 3.45Å; F1338-T1442 CarbonylContact O-C 3.5Å; F1338-T1443 WeakPolarHBondContact CB-OG1 3.47Å; F1338-T1443 WeakPolarHBondContact CD1-OG1 3.42Å; F1338-T1443 WeakPolarHBondContact CD2-OG1 3.49Å; F1338-T1443 WeakPolarHBondContact CG-OG1 3.4Å; F1338-T1443 PolarHBondContact N-OG1 3.33Å; F1338-T1443 PolarHBondContact O-N 3.01Å; F1338-Q1444 PolarHBondContact N-O 3.41Å
1339	L	25.6	Very low	25.8	Very low	148 Å²	148	134.7 Å²	134.7	78%	0.775	73%	0.73	S	S	*	*			trans	58.3	118.6	137.3	-71.3	159	0	0	0	114.1	Y1441 T1442	L1339-Y1441 WeakPolarHBondContact O-CD1 3.5Å; L1339-T1442 PolarHBondContact O-N 3.27Å
1340	N	25.3	Very low	25.7	Very low	115.8 Å²	115.8	131.3 Å²	131.3	62%	0.619	72%	0.722	S	S	*	*			trans	-139.4	105.8	130.9	-168.8	11.6	0	0	0	109.4	F1338 N1342 S1343 P1439 T1440 Y1441	F1338-N1340 PolarHBondContact O-N 3.45Å; N1340-N1342 VanDerWaalsContact C-N 3.31Å; N1340-N1342 PolarHBondContact ND2-ND2 3.05Å; N1340-N1342 PolarHBondContact O-N 3.16Å; N1340-N1342 PolarHBondContact OD1-ND2 2.88Å; N1340-N1342 PolarHBondContact OD1-OD1 3.24Å; N1340-S1343 PolarHBondContact ND2-OG 3.16Å; N1340-P1439 PolarHBondContact ND2-O 3.48Å; N1340-T1440 PolarHBondContact ND2-O 3.17Å; N1340-T1440 CarbonylContact O-C 3.31Å; N1340-Y1441 VanDerWaalsContact C-CE1 3.49Å; N1340-Y1441 WeakPolarHBondContact O-CA 3.13Å; N1340-Y1441 WeakPolarHBondContact O-CD1 3.27Å; N1340-Y1441 WeakPolarHBondContact O-CD2 3.47Å; N1340-Y1441 VanDerWaalsContact O-CE2 3.28Å; N1340-Y1441 WeakPolarHBondContact O-CE2 3.31Å; N1340-Y1441 PolarHBondContact O-N 2.93Å
1341	S	24.3	Very low	25.8	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	73%	0.726	S	S	*	*			trans	-103.4	109.8	157.7	6	0	0	0	0	110.5	Y1441	S1341-Y1441 VanDerWaalsContact CB-CE2 3.42Å; S1341-Y1441 VanDerWaalsContact OG-CE2 3.28Å; S1341-Y1441 WeakPolarHBondContact OG-CE2 3.37Å; S1341-Y1441 PolarHBondContact OG-OH 2.93Å
1342	N	26.1	Very low	26	Very low	120.2 Å²	120.2	132.4 Å²	132.4	64%	0.643	72%	0.722	S	S	*	*			trans	-162.4	89.4	172.6	-89.2	-27.5	0	0	0	113.2	N1340 N1344 Q1438	N1340-N1342 VanDerWaalsContact C-N 3.31Å; N1340-N1342 PolarHBondContact ND2-ND2 3.05Å; N1340-N1342 PolarHBondContact O-N 3.16Å; N1340-N1342 PolarHBondContact OD1-ND2 2.88Å; N1340-N1342 PolarHBondContact OD1-OD1 3.24Å; N1342-N1344 PolarHBondContact O-N 2.64Å; N1342-N1344 PolarHBondContact OD1-ND2 2.66Å; N1342-Q1438 HydrophobicContact CB-CB 4.3Å; N1342-Q1438 HydrophobicContact CB-CG 4.02Å; N1342-Q1438 PolarHBondContact O-NE2 3Å
1343	S	25.7	Very low	26	Very low	102.4 Å²	102.4	135.3 Å²	135.3	72%	0.716	73%	0.729	S	S	*	*			trans	-157.8	115.9	137.5	40.6	0	0	0	0	112.7	N1340 K1345	N1340-S1343 PolarHBondContact ND2-OG 3.16Å; S1343-K1345 PolarHBondContact O-N 2.92Å
1344	N	27.8	Very low	25.9	Very low	142.6 Å²	142.6	134.7 Å²	134.7	76%	0.763	73%	0.727	S	S	*	*			trans	69.4	104.8	137.9	-65	-34.2	0	0	0	114.9	N1342	N1342-N1344 PolarHBondContact O-N 2.64Å; N1342-N1344 PolarHBondContact OD1-ND2 2.66Å
1345	K	29.5	Very low	25.9	Very low	174.2 Å²	174.2	132.8 Å²	132.8	76%	0.757	72%	0.724	S	S	*	*				163.5	132.9	111	-95.5	169.3	-179.1	-179.2	0	111.3	S1343 D1347	S1343-K1345 PolarHBondContact O-N 2.92Å; K1345-D1347 PolarHBondContact O-N 3.18Å
1346	I	25.1	Very low	26	Very low	144 Å²	144	131.9 Å²	131.9	74%	0.738	72%	0.72	S	S	*	*				34.5	122.1	127.1	-58.1	165.1	0	0	0	110.9	T1433	I1346-T1433 HydrophobicContact CB-CG2 4.47Å; I1346-T1433 HydrophobicContact CG2-CG2 3.74Å
1347	D	29	Very low	26.1	Very low	128 Å²	128	134.9 Å²	134.9	68%	0.684	73%	0.727	S	S	*	*			trans	171.3	111.5	136.8	-76	-17.6	0	0	0	113.8	K1345 E1432 T1433 K1434	K1345-D1347 PolarHBondContact O-N 3.18Å; D1347-E1432 VanDerWaalsContact CA-CD 3.43Å; D1347-E1432 WeakPolarHBondContact CA-OE1 3.1Å; D1347-E1432 VanDerWaalsContact CB-CD 3.49Å; D1347-E1432 HydrophobicContact CB-CG 4Å; D1347-T1433 WeakPolarHBondContact OD1-CB 3.16Å; D1347-T1433 WeakPolarHBondContact OD1-CG2 3.18Å; D1347-T1433 PolarHBondContact OD1-OG1 2.98Å; D1347-T1433 PolarHBondContact OD2-OG1 2.98Å; D1347-K1434 VanDerWaalsContact CG-NZ 3.25Å; D1347-K1434 IonicContact OD2-NZ 2.82Å; D1347-K1434 PolarHBondContact OD2-NZ 3.07Å
1348	S	24.6	Very low	26	Very low	93.6 Å²	93.6	138 Å²	138	66%	0.655	74%	0.736	S	S	*	*			trans	-50.1	146.2	151.2	41.9	0	0	0	0	116.3	I1431 E1432	S1348-I1431 VanDerWaalsContact CB-CG2 3.47Å; S1348-E1432 WeakPolarHBondContact CA-OE1 3.39Å; S1348-E1432 WeakPolarHBondContact CB-OE1 3.05Å; S1348-E1432 PolarHBondContact N-OE1 3.3Å; S1348-E1432 VanDerWaalsContact N-OE1 3.09Å
1349	I	25.4	Very low	26	Very low	144 Å²	144	137.9 Å²	137.9	74%	0.738	74%	0.738	S	S	*	*			trans	106.9	114	141.6	-70	165.1	0	0	0	113.8	E1432	I1349-E1432 WeakPolarHBondContact CD1-OE2 3.14Å; I1349-E1432 HydrophobicContact CG1-CB 4Å; I1349-E1432 HydrophobicContact CG1-CG 4.35Å; I1349-E1432 WeakPolarHBondContact CG1-OE1 3.5Å; I1349-E1432 PolarHBondContact N-OE1 3.49Å
1350	D	25.9	Very low	25.9	Very low	126.6 Å²	126.6	141.1 Å²	141.1	68%	0.677	74%	0.741	S	S	*	*				69	134.2	120.8	-100.5	-15.8	0	0	0	120.2	S1352 G1430 I1431	D1350-S1352 PolarHBondContact O-N 2.88Å; D1350-S1352 PolarHBondContact OD1-N 2.67Å; D1350-G1430 WeakPolarHBondContact CA-O 3.33Å; D1350-G1430 WeakPolarHBondContact CB-O 3.21Å; D1350-G1430 PolarHBondContact N-O 2.7Å; D1350-G1430 VanDerWaalsContact N-O 3.12Å; D1350-I1431 HydrophobicContact CB-CB 4.3Å; D1350-I1431 PolarHBondContact OD2-N 3.21Å; D1350-I1431 VanDerWaalsContact OD2-N 3.13Å
1351	Q	26.7	Very low	26	Very low	176.2 Å²	176.2	140.7 Å²	140.7	82%	0.823	75%	0.747	S	S	*	*			trans	-33.7	99.4	151.8	-65.8	179.9	9.7	0	0	115.3
1352	S	27.6	Very low	26	Very low	108.4 Å²	108.4	145.1 Å²	145.1	76%	0.758	75%	0.754	S	S	*	*				165.1	90	129.4	63.5	0	0	0	0	113.4	D1350 N1354	D1350-S1352 PolarHBondContact O-N 2.88Å; D1350-S1352 PolarHBondContact OD1-N 2.67Å; S1352-N1354 VanDerWaalsContact C-N 3.35Å; S1352-N1354 PolarHBondContact O-N 3.08Å
1353	L	25.3	Very low	25.9	Very low	168.8 Å²	168.8	146.2 Å²	146.2	88%	0.884	76%	0.76	S	S	*	*			trans	-109.7	105	151.5	-95.6	160.5	0	0	0	108.6	L1355	L1353-L1355 HydrophobicContact CD2-CD1 3.87Å; L1353-L1355 VanDerWaalsContact CD2-CD1 3.43Å; L1353-L1355 HydrophobicContact CD2-CG 4.46Å
1354	N	25.4	Very low	26	Very low	139.2 Å²	139.2	149.8 Å²	149.8	74%	0.744	76%	0.763	S	S	*	*			trans	-117.9	111.3	167.7	-162.2	-3.1	0	0	0	109	S1352 N1356	S1352-N1354 VanDerWaalsContact C-N 3.35Å; S1352-N1354 PolarHBondContact O-N 3.08Å; N1354-N1356 PolarHBondContact O-N 2.91Å; N1354-N1356 VanDerWaalsContact O-N 3.14Å; N1354-N1356 PolarHBondContact OD1-ND2 3.5Å
1355	L	25.4	Very low	25.9	Very low	141.8 Å²	141.8	150 Å²	150	74%	0.742	76%	0.763	S	S	*	*			trans	-95.1	128.4	160.2	-91.6	115.2	0	0	0	111.4	L1353	L1353-L1355 HydrophobicContact CD2-CD1 3.87Å; L1353-L1355 VanDerWaalsContact CD2-CD1 3.43Å; L1353-L1355 HydrophobicContact CD2-CG 4.46Å
1356	N	24.8	Very low	25.7	Very low	136.6 Å²	136.6	147.8 Å²	147.8	73%	0.73	76%	0.759	S	S	*	*			trans	177	85.7	156.3	-93.6	-29.5	0	0	0	113.5	N1354	N1354-N1356 PolarHBondContact O-N 2.91Å; N1354-N1356 VanDerWaalsContact O-N 3.14Å; N1354-N1356 PolarHBondContact OD1-ND2 3.5Å
1357	H	26.4	Very low	25.8	Very low	168.4 Å²	168.4	148.3 Å²	148.3	78%	0.78	76%	0.762	S	S	*	*			trans	168.1	109	151.5	-105.4	-56	0	0	0	115.7
1358	L	24.7	Very low	25.6	Very low	149.6 Å²	149.6	149.5 Å²	149.5	78%	0.783	76%	0.764	S	S	*	*			trans	156.5	100.9	145.6	-82.1	166	0	0	0	113.9
1359	Q	25.4	Very low	25.6	Very low	167.4 Å²	167.4	152.1 Å²	152.1	78%	0.782	77%	0.769	S	S	*	*				113.9	80.5	126	-118.2	172.7	-17.8	0	0	114.5
1360	Y	24.6	Very low	25.7	Very low	216 Å²	216	151.5 Å²	151.5	85%	0.847	77%	0.768	S	S	*	*			trans	-152.7	117.3	147.6	-90.2	-81.1	0	0	0	108.6
1361	S	25.7	Very low	25.8	Very low	106.6 Å²	106.6	153.8 Å²	153.8	75%	0.745	77%	0.774	S	S	*	*			trans	142.1	101	133.2	-21	0	0	0	0	113.1
1362	F	24	Very low	25.8	Very low	191.8 Å²	191.8	152.8 Å²	152.8	84%	0.841	77%	0.769	S	S	*	*				-161.7	106.7	107.6	-102.2	-87.3	0	0	0	109.8	K1364	F1362-K1364 PolarHBondContact O-N 3.13Å
1363	N	25.7	Very low	25.9	Very low	144.8 Å²	144.8	155.6 Å²	155.6	77%	0.774	77%	0.768	S	S	*	*			trans	-14.7	122.3	140.2	-77.4	-19.1	0	0	0	113.9	L1365	N1363-L1365 PolarHBondContact O-N 3.06Å; N1363-L1365 VanDerWaalsContact O-N 3.12Å
1364	K	27.3	Very low	26.1	Very low	177 Å²	177	154.9 Å²	154.9	77%	0.77	77%	0.765	S	S	*	*				-107.4	122.1	118.9	-151.2	170.1	-175.1	176.6	0	111.3	F1362 N1366 D1538	F1362-K1364 PolarHBondContact O-N 3.13Å; K1364-N1366 PolarHBondContact O-N 3.32Å; K1364-D1538 WeakPolarHBondContact CE-OD2 3.46Å; K1364-D1538 IonicContact NZ-OD1 2.76Å; K1364-D1538 PolarHBondContact NZ-OD1 3.25Å; K1364-D1538 IonicContact NZ-OD2 2.74Å; K1364-D1538 PolarHBondContact NZ-OD2 3.07Å
1365	L	25.3	Very low	26.2	Very low	147 Å²	147	157.4 Å²	157.4	77%	0.77	77%	0.769	S	S	*	*			trans	-39.1	115.8	147.3	-77.5	160.9	0	0	0	112.5	N1363 I1367	N1363-L1365 PolarHBondContact O-N 3.06Å; N1363-L1365 VanDerWaalsContact O-N 3.12Å; L1365-I1367 HydrophobicContact CD2-CG1 4.1Å; L1365-I1367 PolarHBondContact O-N 3.42Å
1366	N	26.1	Very low	26.2	Very low	127.4 Å²	127.4	156.3 Å²	156.3	68%	0.681	77%	0.769	S	S	*	*			trans	-122.4	118.6	145.9	-87.5	-2.3	0	0	0	109.8	K1364 E1368	K1364-N1366 PolarHBondContact O-N 3.32Å; N1366-E1368 VanDerWaalsContact C-N 3.32Å; N1366-E1368 PolarHBondContact ND2-OE1 2.94Å; N1366-E1368 VanDerWaalsContact ND2-OE1 3.09Å; N1366-E1368 PolarHBondContact O-N 3.12Å
1367	I	26.1	Very low	26.4	Very low	154.4 Å²	154.4	156.6 Å²	156.6	79%	0.792	77%	0.77	S	S	*	*			trans	-85.8	100.9	145.8	-60.9	177	0	0	0	107	L1365 L1369	L1365-I1367 HydrophobicContact CD2-CG1 4.1Å; L1365-I1367 PolarHBondContact O-N 3.42Å; I1367-L1369 PolarHBondContact O-N 3.25Å; I1367-L1369 VanDerWaalsContact O-N 3.11Å
1368	E	26	Very low	26.4	Very low	154.8 Å²	154.8	155.8 Å²	155.8	72%	0.723	77%	0.77	S	S	*	*			trans	-94.7	123.7	158.1	-138.7	167.9	-160.1	0	0	109.8	N1366 N1370	N1366-E1368 VanDerWaalsContact C-N 3.32Å; N1366-E1368 PolarHBondContact ND2-OE1 2.94Å; N1366-E1368 VanDerWaalsContact ND2-OE1 3.09Å; N1366-E1368 PolarHBondContact O-N 3.12Å; E1368-N1370 VanDerWaalsContact C-N 3.32Å; E1368-N1370 PolarHBondContact O-N 3.22Å
1369	L	24.4	Very low	26.6	Very low	147 Å²	147	157.5 Å²	157.5	77%	0.77	77%	0.771	S	S	*	*			trans	-40.3	96.9	169.5	-128	134.1	0	0	0	114.1	I1367 H1371	I1367-L1369 PolarHBondContact O-N 3.25Å; I1367-L1369 VanDerWaalsContact O-N 3.11Å; L1369-H1371 PolarHBondContact O-N 3.1Å
1370	N	27.2	Very low	26.7	Very low	132.6 Å²	132.6	157.1 Å²	157.1	71%	0.709	77%	0.769	S	S	*	*			trans	-117.2	114.6	150.3	-87.3	-57.2	0	0	0	112.1	E1368	E1368-N1370 VanDerWaalsContact C-N 3.32Å; E1368-N1370 PolarHBondContact O-N 3.22Å
1371	H	28.3	Very low	26.8	Very low	174.6 Å²	174.6	153.1 Å²	153.1	81%	0.808	76%	0.763	S	S	*	*			trans	-118	121.9	154.2	-96.8	-73.4	0	0	0	111.9	L1369	L1369-H1371 PolarHBondContact O-N 3.1Å
1372	E	26.6	Very low	27	Very low	155 Å²	155	153.8 Å²	153.8	72%	0.724	76%	0.758	S	S	*	*			trans	-91.6	150.1	141.4	-118.8	-176.7	179	0	0	112.6
1373	K	29.8	Very low	27.5	Very low	167.6 Å²	167.6	150.9 Å²	150.9	73%	0.729	75%	0.751	S	S	*	*			trans	136.6	123	150.2	-74.3	167.7	-179.2	148.8	0	113.9
1374	N	28	Very low	27.8	Very low	153.4 Å²	153.4	151.7 Å²	151.7	82%	0.82	75%	0.75	S	S	*	*			trans	79.1	104.8	134.2	-68.4	-15.3	0	0	0	113.9
1375	K	27.6	Very low	27.8	Very low	191.8 Å²	191.8	150 Å²	150	83%	0.834	75%	0.749	S	S	*	*				70.6	125.5	111.1	-101.3	175.1	-178.8	174.1	0	113.1
1376	T	26.9	Very low	27.9	Very low	119.2 Å²	119.2	150.6 Å²	150.6	73%	0.731	75%	0.753	S	S	*	*				159.8	140.9	120	45.9	0	0	0	0	112.8
1377	N	27.4	Very low	27.9	Very low	141.8 Å²	141.8	149.3 Å²	149.3	76%	0.758	75%	0.753	S	S	*	*				167.1	132	90.7	-89.3	-16.8	0	0	0	113.8	K1379	N1377-K1379 PolarHBondContact O-N 3.17Å
1378	I	28.2	Very low	27.8	Very low	151.2 Å²	151.2	148.8 Å²	148.8	78%	0.775	75%	0.751	S	S	*	*				-132.3	126.2	119.7	-77	175.4	0	0	0	110.6
1379	K	28	Very low	27.8	Very low	186.6 Å²	186.6	148.3 Å²	148.3	81%	0.811	75%	0.752	S	S	*	*			trans	-108.9	138.1	161.4	-77.8	179.4	175.2	-175.8	0	111.8	N1377	N1377-K1379 PolarHBondContact O-N 3.17Å
1380	Q	27.1	Very low	27.8	Very low	158.2 Å²	158.2	148 Å²	148	74%	0.739	75%	0.751	S	S	*	*			trans	-124.4	133	146.3	-96	172.2	-61	0	0	109.4	D1382	Q1380-D1382 PolarHBondContact NE2-OD2 2.95Å; Q1380-D1382 VanDerWaalsContact NE2-OD2 3.13Å
1381	N	27.2	Very low	27.8	Very low	132.4 Å²	132.4	148.5 Å²	148.5	71%	0.708	75%	0.754	S	S	*	*				-160.9	112	124.9	-123.2	57.6	0	0	0	113	N1383	N1381-N1383 PolarHBondContact O-N 3.19Å
1382	D	30.6	Very low	27.8	Very low	121.2 Å²	121.2	148.9 Å²	148.9	65%	0.648	76%	0.756	S	S	*	*			trans	-54	120.8	146.4	-60.9	-32.1	0	0	0	112.2	Q1380	Q1380-D1382 PolarHBondContact NE2-OD2 2.95Å; Q1380-D1382 VanDerWaalsContact NE2-OD2 3.13Å
1383	N	32.8	Very low	27.8	Very low	130.4 Å²	130.4	146.6 Å²	146.6	70%	0.697	76%	0.757	S	S	*	*			trans	-133.4	122	152.1	-91.6	-4.7	0	0	0	111.9	N1381	N1381-N1383 PolarHBondContact O-N 3.19Å
1384	E	32.1	Very low	27.6	Very low	161.2 Å²	161.2	145.5 Å²	145.5	75%	0.753	76%	0.758	S	S	*	*			trans	156.1	115.9	147.2	-80.4	176.9	170.5	0	0	114.3	L1386	E1384-L1386 PolarHBondContact O-N 3.23Å
1385	N	27.7	Very low	27.5	Very low	141.2 Å²	141.2	146.9 Å²	146.9	76%	0.755	76%	0.757	S	S	*	*				37	114.1	120.4	-64.1	-35.3	0	0	0	118.4	S1387	N1385-S1387 PolarHBondContact O-N 3.24Å
1386	L	27.6	Very low	27.4	Very low	161.2 Å²	161.2	141.9 Å²	141.9	84%	0.844	75%	0.746	S	S	*	*			trans	-120	109.6	140.6	-94.3	118.6	0	0	0	111.9	E1384 I1388	E1384-L1386 PolarHBondContact O-N 3.23Å; L1386-I1388 HydrophobicContact CD2-CD1 4.17Å; L1386-I1388 HydrophobicContact CD2-CG1 4.48Å
1387	S	25.7	Very low	27.3	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	74%	0.744	S	S	*	*			trans	-62.9	122.8	140.2	67.4	0	0	0	0	112.7	N1385	N1385-S1387 PolarHBondContact O-N 3.24Å
1388	I	24.5	Very low	27.3	Very low	143.4 Å²	143.4	143.6 Å²	143.6	74%	0.735	74%	0.744	S	S	*	*				104.6	124.4	101.5	-72.6	170.5	0	0	0	112.2	L1386	L1386-I1388 HydrophobicContact CD2-CD1 4.17Å; L1386-I1388 HydrophobicContact CD2-CG1 4.48Å
1389	I	27	Very low	27.2	Very low	145.8 Å²	145.8	142.3 Å²	142.3	75%	0.748	74%	0.739	S	S	*	*			trans	87.8	112.6	149.5	-70.1	163.8	0	0	0	115.3
1390	N	23.8	Very low	27.2	Very low	139.2 Å²	139.2	137.8 Å²	137.8	74%	0.744	73%	0.731	S	S	*	*				-133.6	122.7	116.5	-107.4	-8.6	0	0	0	112.6
1391	N	26.3	Very low	27.2	Very low	145 Å²	145	136.1 Å²	136.1	78%	0.775	73%	0.727	S	S	*	*			trans	-177.5	113.3	130.2	-89.8	-30.9	0	0	0	112.5
1392	Q	28.7	Very low	27.2	Very low	181.8 Å²	181.8	136.3 Å²	136.3	85%	0.85	73%	0.728	S	S	*	*			trans	-162.4	115.9	141.4	-89.8	170.3	18.2	0	0	111.9
1393	S	26.9	Very low	27	Very low	107.4 Å²	107.4	137.5 Å²	137.5	75%	0.751	73%	0.734	S	S	*	*			trans	57.1	119.7	135.1	61.9	0	0	0	0	116
1394	L	26	Very low	26.7	Very low	143.8 Å²	143.8	136.5 Å²	136.5	75%	0.753	73%	0.732	S	S	*	*				-130.6	128.6	107.6	-120.6	117.1	0	0	0	108.7
1395	K	26.3	Very low	26.3	Very low	183.4 Å²	183.4	133.2 Å²	133.2	80%	0.797	72%	0.723	S	S	*	*			trans	60.8	123.2	147.8	-81.1	177.3	-172.9	178.7	0	114.4	N1495	K1395-N1495 PolarHBondContact O-OD1 2.99Å
1396	S	24.9	Very low	26.2	Very low	86.6 Å²	86.6	134.6 Å²	134.6	61%	0.606	72%	0.723	S	S	*	*			cis	151.8	140.8	46.1	54.4	0	0	0	0	113.5	N1494 N1495	S1396-N1494 WeakPolarHBondContact CA-ND2 3.3Å; S1396-N1494 WeakPolarHBondContact CB-ND2 3.25Å; S1396-N1494 WeakPolarHBondContact CB-OD1 3.31Å; S1396-N1495 PolarHBondContact O-ND2 2.81Å; S1396-N1495 PolarHBondContact O-OD1 2.72Å; S1396-N1495 VanDerWaalsContact O-OD1 3.05Å; S1396-N1495 WeakPolarHBondContact OG-CA 3.35Å; S1396-N1495 PolarHBondContact OG-N 3.35Å; S1396-N1495 VanDerWaalsContact OG-N 3.09Å
1397	I	25.5	Very low	26.2	Very low	134.4 Å²	134.4	131.1 Å²	131.1	69%	0.689	71%	0.712	S	S	*	*			trans	102.6	120.5	150.7	-73.5	167.4	0	0	0	113.1	N1494 N1495	I1397-N1494 WeakPolarHBondContact CA-ND2 3.09Å; I1397-N1494 HydrophobicContact CB-CB 4.39Å; I1397-N1494 HydrophobicContact CG1-CB 3.8Å; I1397-N1494 PolarHBondContact N-ND2 3.03Å; I1397-N1495 HydrophobicContact CD1-CB 3.82Å; I1397-N1495 VanDerWaalsContact CD1-ND2 3.27Å; I1397-N1495 WeakPolarHBondContact CD1-ND2 3.42Å; I1397-N1495 HydrophobicContact CG1-CB 3.65Å; I1397-N1495 WeakPolarHBondContact CG1-ND2 3.29Å
1398	E	26.4	Very low	26.3	Very low	162.2 Å²	162.2	131.8 Å²	131.8	76%	0.758	71%	0.708	S	S	*	*			trans	71.3	121.8	132.9	-82.2	178.4	-175.6	0	0	115.5	N1493	E1398-N1493 VanDerWaalsContact C-ND2 3.31Å; E1398-N1493 VanDerWaalsContact CA-ND2 3.3Å; E1398-N1493 WeakPolarHBondContact CA-ND2 3.23Å; E1398-N1493 PolarHBondContact N-ND2 3.15Å
1399	N	26.1	Very low	26.4	Very low	124.2 Å²	124.2	130.6 Å²	130.6	66%	0.664	71%	0.707	S	S	*	*				135.7	141.5	80.5	-99.4	-14.5	0	0	0	111.9	N1401 F1406 N1493	N1399-N1401 PolarHBondContact OD1-ND2 2.74Å; N1399-N1401 VanDerWaalsContact OD1-ND2 3.13Å; N1399-F1406 HydrophobicContact CB-CZ 3.88Å; N1399-F1406 VanDerWaalsContact ND2-CE1 3.31Å; N1399-F1406 WeakPolarHBondContact ND2-CE1 3.35Å; N1399-N1493 WeakPolarHBondContact OD1-CB 3.49Å
1400	S	28.3	Very low	26.4	Very low	92.4 Å²	92.4	128.8 Å²	128.8	65%	0.646	70%	0.703	S	S	*	*				-169.1	146.3	78.5	32.5	0	0	0	0	113.5	T1405 S1491 N1492	S1400-T1405 WeakPolarHBondContact OG-CG2 3.43Å; S1400-S1491 PolarHBondContact O-OG 3.24Å; S1400-N1492 WeakPolarHBondContact O-CB 3.04Å
1401	N	27.4	Very low	26.6	Very low	121.6 Å²	121.6	129.8 Å²	129.8	65%	0.65	70%	0.703	S	S	*	*			trans	57.5	128.9	130.6	-62.3	-43.6	0	0	0	114.9	N1399 V1404 S1491 N1492	N1399-N1401 PolarHBondContact OD1-ND2 2.74Å; N1399-N1401 VanDerWaalsContact OD1-ND2 3.13Å; N1401-V1404 PolarHBondContact OD1-N 3.35Å; N1401-S1491 CarbonylContact C-O 3.49Å; N1401-S1491 WeakPolarHBondContact CA-O 3.06Å; N1401-S1491 PolarHBondContact N-O 2.76Å; N1401-S1491 VanDerWaalsContact N-O 3.07Å; N1401-S1491 PolarHBondContact N-OG 2.98Å; N1401-S1491 VanDerWaalsContact N-OG 3.14Å; N1401-N1492 VanDerWaalsContact CA-O 3.26Å; N1401-N1492 WeakPolarHBondContact CA-O 2.89Å; N1401-N1492 PolarHBondContact N-O 3.4Å; N1401-N1492 PolarHBondContact ND2-O 2.87Å; N1401-N1492 PolarHBondContact OD1-O 3.24Å
1402	N	27.3	Very low	26.6	Very low	136.2 Å²	136.2	129.2 Å²	129.2	73%	0.728	70%	0.7	S	S	*	*				81.7	128.1	126.6	-66.9	-33.7	0	0	0	115.7	N1490 S1491	N1402-N1490 WeakPolarHBondContact CA-O 3.12Å; N1402-N1490 VanDerWaalsContact N-C 3.31Å; N1402-N1490 PolarHBondContact N-O 3.27Å; N1402-S1491 WeakPolarHBondContact CB-O 3.47Å; N1402-S1491 PolarHBondContact N-O 3.12Å; N1402-S1491 PolarHBondContact N-OG 3.02Å; N1402-S1491 PolarHBondContact ND2-O 2.76Å; N1402-S1491 PolarHBondContact OD1-N 2.76Å; N1402-S1491 PolarHBondContact OD1-O 2.97Å
1403	L	25.8	Very low	26.5	Very low	147.4 Å²	147.4	126.9 Å²	126.9	77%	0.772	69%	0.693	S	S	*	*				-169.8	132.9	77.2	-150.7	72.8	0	0	0	112.3	N915 N1489	N915-L1403 WeakPolarHBondContact ND2-CD2 3.26Å; L1403-N1489 CarbonylContact C-O 3.6Å; L1403-N1489 PolarHBondContact N-O 2.77Å; L1403-N1489 CarbonylContact O-C 3.6Å
1404	V	25.5	Very low	26.4	Very low	110 Å²	110	130.3 Å²	130.3	67%	0.667	69%	0.694	S	S	*	*			trans	67.4	107.5	168.1	-173.5	0	0	0	0	113.5	N1401 F1406	N1401-V1404 PolarHBondContact OD1-N 3.35Å; V1404-F1406 HydrophobicContact CG1-CD2 3.77Å; V1404-F1406 HydrophobicContact CG1-CE2 3.92Å
1405	T	24.7	Very low	26.4	Very low	91.4 Å²	91.4	128.9 Å²	128.9	56%	0.561	69%	0.692	S	S	*	*				54.4	140.1	107.3	58.3	0	0	0	0	116.3	S1400	S1400-T1405 WeakPolarHBondContact OG-CG2 3.43Å
1406	F	25.4	Very low	26.3	Very low	170.8 Å²	170.8	127.1 Å²	127.1	75%	0.749	69%	0.689	S	S	*	*			trans	119	140.1	142.8	-73.2	-70.6	0	0	0	112.4	N1399 V1404 D1488	N1399-F1406 HydrophobicContact CB-CZ 3.88Å; N1399-F1406 VanDerWaalsContact ND2-CE1 3.31Å; N1399-F1406 WeakPolarHBondContact ND2-CE1 3.35Å; V1404-F1406 HydrophobicContact CG1-CD2 3.77Å; V1404-F1406 HydrophobicContact CG1-CE2 3.92Å; F1406-D1488 PolarHBondContact O-N 3.49Å
1407	S	27.9	Very low	26.5	Very low	86.8 Å²	86.8	128 Å²	128	61%	0.607	69%	0.693	S	S	*	*			cis	165.2	133.7	35.4	5.8	0	0	0	0	112.3
1408	D	27.3	Very low	26.6	Very low	114.4 Å²	114.4	129.3 Å²	129.3	61%	0.612	70%	0.696	S	S	*	*			trans	85.9	131.2	155.1	-61.6	-43.1	0	0	0	117.6	L1485 T1486	D1408-L1485 WeakPolarHBondContact OD1-CA 3.42Å; D1408-T1486 PolarHBondContact OD1-N 3.24Å
1409	T	27.3	Very low	26.6	Very low	118 Å²	118	127.2 Å²	127.2	72%	0.724	69%	0.69	S	S	*	*				77.1	133.4	119.5	58.2	0	0	0	0	115.6	L1485 T1486	T1409-L1485 HydrophobicContact CG2-CD2 3.73Å; T1409-L1485 WeakPolarHBondContact OG1-CA 3.34Å; T1409-L1485 VanDerWaalsContact OG1-CB 3.25Å; T1409-L1485 WeakPolarHBondContact OG1-CB 3.41Å; T1409-T1486 PolarHBondContact OG1-N 3.4Å; T1409-T1486 VanDerWaalsContact OG1-N 3.15Å
1410	T	27.1	Very low	26.7	Very low	106.8 Å²	106.8	127.6 Å²	127.6	66%	0.655	69%	0.692	S	S	*	*			trans	-51.8	147.3	164.4	55.6	0	0	0	0	113	L1485 T1486 E1487	T1410-L1485 HydrophobicContact CG2-CB 3.95Å; T1410-L1485 HydrophobicContact CG2-CD1 4.25Å; T1410-T1486 HydrophobicContact CG2-CG2 3.38Å; T1410-E1487 PolarHBondContact OG1-OE1 3.04Å
1411	Q	26.6	Very low	26.6	Very low	161.4 Å²	161.4	128.8 Å²	128.8	75%	0.754	69%	0.691	S	S	*	*			trans	61.3	121.9	138.5	-70.1	-174	31.9	0	0	118.7
1412	N	28	Very low	26.7	Very low	131.8 Å²	131.8	130.1 Å²	130.1	71%	0.705	70%	0.698	S	S	*	*				150.1	148.3	106.6	-79	-34.5	0	0	0	112.2
1413	L	24.9	Very low	26.6	Very low	133.4 Å²	133.4	129 Å²	129	70%	0.698	70%	0.696	S	S	*	*			cis	119.5	127.9	49.3	-150.9	72.5	0	0	0	112.9
1414	F	25.6	Very low	26.7	Very low	179.4 Å²	179.4	129.4 Å²	129.4	79%	0.787	70%	0.698	S	S	*	*			trans	75.3	138.2	160.7	-68.3	-77.9	0	0	0	116.5
1415	T	25.7	Very low	26.7	Very low	113.6 Å²	113.6	129.7 Å²	129.7	70%	0.697	70%	0.7	S	S	*	*				-120.6	138.3	73.5	16.6	0	0	0	0	111.3	P1417	T1415-P1417 WeakPolarHBondContact O-CD 3.33Å
1416	I	24.7	Very low	26.7	Very low	145.8 Å²	145.8	130.8 Å²	130.8	75%	0.748	71%	0.709	S	S	*	*				35.7	132.2	107.5	-69.4	166.5	0	0	0	111	H1418	I1416-H1418 HydrophobicContact CG2-CB 4.49Å; I1416-H1418 PolarHBondContact O-N 3.14Å
1417	P	29.6	Very low	26.7	Very low	105 Å²	105	128 Å²	128	68%	0.682	71%	0.705	S	S	*	*			trans	-118.3	154.9	-164.1	37.4	-26.4	0	0	0	113.6	T1415	T1415-P1417 WeakPolarHBondContact O-CD 3.33Å
1418	H	26.5	Very low	26.5	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.755	71%	0.712	S	S	*	*			trans	-157.6	143	147.9	-97.2	-74.9	0	0	0	114.4	I1416	I1416-H1418 HydrophobicContact CG2-CB 4.49Å; I1416-H1418 PolarHBondContact O-N 3.14Å
1419	N	26.7	Very low	26.4	Very low	117.6 Å²	117.6	132.7 Å²	132.7	63%	0.629	72%	0.722	S	S	*	*				81.3	113.9	104	-101.4	6.6	0	0	0	118	N1421	N1419-N1421 WeakPolarHBondContact O-CB 3.01Å; N1419-N1421 WeakPolarHBondContact OD1-CB 3.27Å; N1419-N1421 PolarHBondContact OD1-ND2 3.23Å
1420	N	28.4	Very low	26.3	Very low	133.8 Å²	133.8	129.8 Å²	129.8	72%	0.716	72%	0.716	S	S	*	*				87.5	123	117.1	-74.7	-4.8	0	0	0	114.8
1421	N	27.1	Very low	26.2	Very low	116.2 Å²	116.2	131.6 Å²	131.6	62%	0.621	72%	0.72	S	S	*	*				72.6	100	111.6	-70.6	1.9	0	0	0	115.7	N1419 T1423	N1419-N1421 WeakPolarHBondContact O-CB 3.01Å; N1419-N1421 WeakPolarHBondContact OD1-CB 3.27Å; N1419-N1421 PolarHBondContact OD1-ND2 3.23Å; N1421-T1423 WeakPolarHBondContact CA-OG1 3.25Å; N1421-T1423 PolarHBondContact O-OG1 3.06Å; N1421-T1423 PolarHBondContact OD1-OG1 3.09Å
1422	N	29.1	Very low	26.1	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	72%	0.716	S	S	*	*				-158.5	134.2	106.5	-82.6	-30.5	0	0	0	112.7	I1424	N1422-I1424 PolarHBondContact O-N 3.24Å
1423	T	24.6	Very low	26	Very low	111.6 Å²	111.6	129.8 Å²	129.8	69%	0.685	72%	0.716	S	S	*	*			trans	-21.7	105	157.3	34.9	0	0	0	0	113.8	N1421	N1421-T1423 WeakPolarHBondContact CA-OG1 3.25Å; N1421-T1423 PolarHBondContact O-OG1 3.06Å; N1421-T1423 PolarHBondContact OD1-OG1 3.09Å
1424	I	27.9	Very low	26.1	Very low	156 Å²	156	131.2 Å²	131.2	80%	0.8	72%	0.716	S	S	*	*			trans	-128.4	117.7	131.1	-76.1	159.8	0	0	0	107.5	N1422 P1426	N1422-I1424 PolarHBondContact O-N 3.24Å; I1424-P1426 HydrophobicContact CG2-CG 4.35Å
1425	T	24.6	Very low	26.1	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	71%	0.714	S	S	*	*			trans	-83.3	132.5	160	47.5	0	0	0	0	112	V1427	T1425-V1427 PolarHBondContact O-N 3.17Å
1426	P	26	Very low	26.1	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	72%	0.715	S	S	*	*			trans	-85.9	156.2	-165.3	34.3	-32.8	0	0	0	111.6	I1424 C1428	I1424-P1426 HydrophobicContact CG2-CG 4.35Å; P1426-C1428 PolarHBondContact O-N 3.18Å
1427	V	25.2	Very low	26.2	Very low	111.4 Å²	111.4	133.2 Å²	133.2	68%	0.675	72%	0.717	S	S	*	*			trans	-138.9	122.4	147.4	167.3	0	0	0	0	109.5	H1324 K1325 T1425 F1429	H1324-V1427 WeakPolarHBondContact NE2-CG1 3.26Å; K1325-V1427 HydrophobicContact CD-CG2 4.2Å; K1325-V1427 VanDerWaalsContact NZ-CG2 3.35Å; T1425-V1427 PolarHBondContact O-N 3.17Å; V1427-F1429 HydrophobicContact CG1-CD2 4.03Å; V1427-F1429 HydrophobicContact CG1-CE2 4.14Å
1428	C	22.8	Very low	26	Very low	110.4 Å²	110.4	135.9 Å²	135.9	75%	0.746	72%	0.72	S	S	*	*			trans	-141.7	128.1	139.3	-102.1	0	0	0	0	111.6	N1322 P1426	N1322-C1428 PolarHBondContact ND2-SG 3.37Å; N1322-C1428 VanDerWaalsContact ND2-SG 3.45Å; P1426-C1428 PolarHBondContact O-N 3.18Å
1429	F	25.4	Very low	26.2	Very low	189.6 Å²	189.6	133.2 Å²	133.2	83%	0.832	72%	0.717	S	S	*	*			trans	-107.2	147.2	150.9	-70.1	-87.9	0	0	0	110.1	V1427 I1431	V1427-F1429 HydrophobicContact CG1-CD2 4.03Å; V1427-F1429 HydrophobicContact CG1-CE2 4.14Å; F1429-I1431 HydrophobicContact CB-CD1 3.82Å; F1429-I1431 HydrophobicContact CB-CG1 3.98Å
1430	G	24.8	Very low	26.1	Very low	57.2 Å²	57.2	132.7 Å²	132.7	59%	0.59	72%	0.719	S	S	*	*			cis	-175.1	145.7	36.9	0	0	0	0	0	111.1	D1350	D1350-G1430 WeakPolarHBondContact CA-O 3.33Å; D1350-G1430 WeakPolarHBondContact CB-O 3.21Å; D1350-G1430 PolarHBondContact N-O 2.7Å; D1350-G1430 VanDerWaalsContact N-O 3.12Å
1431	I	25.9	Very low	26	Very low	144.4 Å²	144.4	135.6 Å²	135.6	74%	0.741	72%	0.721	S	S	*	*			trans	-173.4	125.4	142.3	-68.6	166.4	0	0	0	110.8	S1348 D1350 F1429	S1348-I1431 VanDerWaalsContact CB-CG2 3.47Å; D1350-I1431 HydrophobicContact CB-CB 4.3Å; D1350-I1431 PolarHBondContact OD2-N 3.21Å; D1350-I1431 VanDerWaalsContact OD2-N 3.13Å; F1429-I1431 HydrophobicContact CB-CD1 3.82Å; F1429-I1431 HydrophobicContact CB-CG1 3.98Å
1432	E	23.9	Very low	26	Very low	142 Å²	142	135.7 Å²	135.7	66%	0.664	73%	0.726	S	S	*	*			trans	-38.6	149	163.3	-63.8	176.7	147.9	0	0	116.4	D1347 S1348 I1349 K1434 Y1454	D1347-E1432 VanDerWaalsContact CA-CD 3.43Å; D1347-E1432 WeakPolarHBondContact CA-OE1 3.1Å; D1347-E1432 VanDerWaalsContact CB-CD 3.49Å; D1347-E1432 HydrophobicContact CB-CG 4Å; S1348-E1432 WeakPolarHBondContact CA-OE1 3.39Å; S1348-E1432 WeakPolarHBondContact CB-OE1 3.05Å; S1348-E1432 PolarHBondContact N-OE1 3.3Å; S1348-E1432 VanDerWaalsContact N-OE1 3.09Å; I1349-E1432 WeakPolarHBondContact CD1-OE2 3.14Å; I1349-E1432 HydrophobicContact CG1-CB 4Å; I1349-E1432 HydrophobicContact CG1-CG 4.35Å; I1349-E1432 WeakPolarHBondContact CG1-OE1 3.5Å; I1349-E1432 PolarHBondContact N-OE1 3.49Å; E1432-K1434 IonicContact OE2-NZ 2.7Å; E1432-K1434 PolarHBondContact OE2-NZ 3.37Å; E1432-Y1454 VanDerWaalsContact CD-OH 3.24Å; E1432-Y1454 PolarHBondContact OE1-OH 3.15Å; E1432-Y1454 PolarHBondContact OE2-OH 3.38Å
1433	T	27.4	Very low	25.9	Very low	114.6 Å²	114.6	133.9 Å²	133.9	70%	0.703	72%	0.72	S	S	*	*			trans	-165.5	142.1	152.1	38.1	0	0	0	0	114	I1346 D1347	I1346-T1433 HydrophobicContact CB-CG2 4.47Å; I1346-T1433 HydrophobicContact CG2-CG2 3.74Å; D1347-T1433 WeakPolarHBondContact OD1-CB 3.16Å; D1347-T1433 WeakPolarHBondContact OD1-CG2 3.18Å; D1347-T1433 PolarHBondContact OD1-OG1 2.98Å; D1347-T1433 PolarHBondContact OD2-OG1 2.98Å
1434	K	25.2	Very low	25.9	Very low	162.8 Å²	162.8	136.5 Å²	136.5	71%	0.708	73%	0.725	S	S	*	*			trans	18.5	134.4	166.1	-59	155.9	177.4	160.4	0	115.6	D1347 E1432	D1347-K1434 VanDerWaalsContact CG-NZ 3.25Å; D1347-K1434 IonicContact OD2-NZ 2.82Å; D1347-K1434 PolarHBondContact OD2-NZ 3.07Å; E1432-K1434 IonicContact OE2-NZ 2.7Å; E1432-K1434 PolarHBondContact OE2-NZ 3.37Å
1435	Q	27	Very low	25.7	Very low	160 Å²	160	133.6 Å²	133.6	75%	0.748	72%	0.718	S	S	*	*				123.4	152.5	116.7	-78.8	-177.1	15.4	0	0	115.7
1436	Q	25.4	Very low	25.6	Very low	153.6 Å²	153.6	135.3 Å²	135.3	72%	0.718	72%	0.722	S	S	*	*			trans	106.1	139.8	154	-83.3	173.5	24.5	0	0	115.9	Q1438	Q1436-Q1438 PolarHBondContact O-N 2.94Å
1437	Q	27.6	Very low	25.5	Very low	166.4 Å²	166.4	134.5 Å²	134.5	78%	0.778	72%	0.72	S	S	*	*				98.2	125.7	124.9	-72	174.1	14.2	0	0	116.3	E1319	E1319-Q1437 PolarHBondContact OE2-NE2 2.94Å
1438	Q	25	Very low	25.4	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.762	73%	0.726	S	S	*	*			trans	-55.9	156.2	140.4	-72.9	-166	-9.7	0	0	114.3	N1342 Q1436 T1440	N1342-Q1438 HydrophobicContact CB-CB 4.3Å; N1342-Q1438 HydrophobicContact CB-CG 4.02Å; N1342-Q1438 PolarHBondContact O-NE2 3Å; Q1436-Q1438 PolarHBondContact O-N 2.94Å; Q1438-T1440 WeakPolarHBondContact CB-OG1 3.21Å; Q1438-T1440 PolarHBondContact O-N 2.78Å; Q1438-T1440 PolarHBondContact OE1-OG1 3.42Å
1439	P	29.6	Very low	25.5	Very low	105.6 Å²	105.6	137.7 Å²	137.7	69%	0.686	73%	0.729	S	S	*	*				-117.6	156.6	89.9	35	-25.1	0	0	0	115.1	N1340 Y1441	N1340-P1439 PolarHBondContact ND2-O 3.48Å; P1439-Y1441 HydrophobicContact CB-CD2 4.14Å; P1439-Y1441 HydrophobicContact CB-CE2 4.27Å
1440	T	26	Very low	25.6	Very low	107.6 Å²	107.6	137.6 Å²	137.6	66%	0.66	73%	0.729	S	S	*	*			trans	76.6	132.5	136.9	13.2	0	0	0	0	117	N1340 Q1438 T1442	N1340-T1440 PolarHBondContact ND2-O 3.17Å; N1340-T1440 CarbonylContact O-C 3.31Å; Q1438-T1440 WeakPolarHBondContact CB-OG1 3.21Å; Q1438-T1440 PolarHBondContact O-N 2.78Å; Q1438-T1440 PolarHBondContact OE1-OG1 3.42Å; T1440-T1442 PolarHBondContact O-N 3.44Å
1441	Y	26	Very low	25.7	Very low	193.2 Å²	193.2	139.9 Å²	139.9	76%	0.758	73%	0.733	S	S	*	*			trans	5	139.5	159.7	-68.7	-74.5	0	0	0	117	L1339 N1340 S1341 P1439 T1443	L1339-Y1441 WeakPolarHBondContact O-CD1 3.5Å; N1340-Y1441 VanDerWaalsContact C-CE1 3.49Å; N1340-Y1441 WeakPolarHBondContact O-CA 3.13Å; N1340-Y1441 WeakPolarHBondContact O-CD1 3.27Å; N1340-Y1441 WeakPolarHBondContact O-CD2 3.47Å; N1340-Y1441 VanDerWaalsContact O-CE2 3.28Å; N1340-Y1441 WeakPolarHBondContact O-CE2 3.31Å; N1340-Y1441 PolarHBondContact O-N 2.93Å; S1341-Y1441 VanDerWaalsContact CB-CE2 3.42Å; S1341-Y1441 VanDerWaalsContact OG-CE2 3.28Å; S1341-Y1441 WeakPolarHBondContact OG-CE2 3.37Å; S1341-Y1441 PolarHBondContact OG-OH 2.93Å; P1439-Y1441 HydrophobicContact CB-CD2 4.14Å; P1439-Y1441 HydrophobicContact CB-CE2 4.27Å; Y1441-T1443 PolarHBondContact O-N 2.99Å; Y1441-T1443 VanDerWaalsContact O-N 3.15Å
1442	T	26.4	Very low	25.6	Very low	118.4 Å²	118.4	139.8 Å²	139.8	73%	0.726	73%	0.733	S	S	*	*			trans	-156.8	125.8	145	34.8	0	0	0	0	115.1	F1338 L1339 T1440 Q1444	F1338-T1442 CarbonylContact O-C 3.5Å; L1339-T1442 PolarHBondContact O-N 3.27Å; T1440-T1442 PolarHBondContact O-N 3.44Å; T1442-Q1444 PolarHBondContact O-N 3.25Å
1443	T	26	Very low	25.6	Very low	113.4 Å²	113.4	142 Å²	142	70%	0.696	74%	0.737	S	S	*	*			trans	-74.6	130.2	130.4	42.3	0	0	0	0	114.1	S1337 F1338 Y1441 S1445	S1337-T1443 VanDerWaalsContact CB-OG1 3.26Å; S1337-T1443 WeakPolarHBondContact CB-OG1 3.09Å; F1338-T1443 WeakPolarHBondContact CB-OG1 3.47Å; F1338-T1443 WeakPolarHBondContact CD1-OG1 3.42Å; F1338-T1443 WeakPolarHBondContact CD2-OG1 3.49Å; F1338-T1443 WeakPolarHBondContact CG-OG1 3.4Å; F1338-T1443 PolarHBondContact N-OG1 3.33Å; F1338-T1443 PolarHBondContact O-N 3.01Å; Y1441-T1443 PolarHBondContact O-N 2.99Å; Y1441-T1443 VanDerWaalsContact O-N 3.15Å; T1443-S1445 PolarHBondContact O-N 3.35Å; T1443-S1445 VanDerWaalsContact O-N 3.17Å
1444	Q	25.4	Very low	25.5	Very low	165.2 Å²	165.2	145.1 Å²	145.1	77%	0.772	74%	0.737	S	S	*	*			trans	-46.6	124.8	147.9	-69.9	166	3.3	0	0	112.5	S1337 F1338 T1442 L1446	S1337-Q1444 CarbonylContact C-O 3.51Å; S1337-Q1444 WeakPolarHBondContact CA-O 3.49Å; S1337-Q1444 VanDerWaalsContact CB-N 3.26Å; S1337-Q1444 WeakPolarHBondContact CB-O 3.41Å; S1337-Q1444 VanDerWaalsContact OG-CB 3.29Å; S1337-Q1444 WeakPolarHBondContact OG-CB 3.43Å; S1337-Q1444 PolarHBondContact OG-N 3.02Å; S1337-Q1444 PolarHBondContact OG-NE2 3.38Å; S1337-Q1444 VanDerWaalsContact OG-NE2 3.15Å; S1337-Q1444 PolarHBondContact OG-O 3.2Å; S1337-Q1444 PolarHBondContact OG-OE1 3.37Å; F1338-Q1444 PolarHBondContact N-O 3.41Å; T1442-Q1444 PolarHBondContact O-N 3.25Å; Q1444-L1446 PolarHBondContact O-N 3.06Å
1445	S	23.6	Very low	25.6	Very low	95.6 Å²	95.6	143.1 Å²	143.1	67%	0.669	73%	0.733	S	S	*	*				-156.4	140.2	63.7	61.9	0	0	0	0	110.7	T1443 S1447	T1443-S1445 PolarHBondContact O-N 3.35Å; T1443-S1445 VanDerWaalsContact O-N 3.17Å; S1445-S1447 PolarHBondContact O-N 3.17Å
1446	L	23.8	Very low	25.6	Very low	152.2 Å²	152.2	142.5 Å²	142.5	80%	0.797	73%	0.73	S	S	*	*			trans	64.1	119.3	153.1	-77.7	162.2	0	0	0	114.2	Q1444 L1448	Q1444-L1446 PolarHBondContact O-N 3.06Å; L1446-L1448 VanDerWaalsContact C-N 3.26Å; L1446-L1448 PolarHBondContact O-N 2.96Å
1447	S	23.6	Very low	25.8	Very low	98.6 Å²	98.6	141.1 Å²	141.1	69%	0.69	72%	0.723	S	S	*	*			trans	-159.2	131.6	131.8	54.1	0	0	0	0	113.9	S1445 T1449	S1445-S1447 PolarHBondContact O-N 3.17Å; S1447-T1449 VanDerWaalsContact C-N 3.35Å; S1447-T1449 PolarHBondContact O-N 3.27Å
1448	L	22.9	Very low	26.1	Very low	154 Å²	154	138.3 Å²	138.3	81%	0.806	71%	0.714	S	S	*	*				22	103.7	80.9	-76.5	150.1	0	0	0	113.9	K1312 L1446 K1450	K1312-L1448 PolarHBondContact NZ-O 3.16Å; L1446-L1448 VanDerWaalsContact C-N 3.26Å; L1446-L1448 PolarHBondContact O-N 2.96Å; L1448-K1450 PolarHBondContact O-N 3.35Å; L1448-K1450 VanDerWaalsContact O-N 3.15Å
1449	T	24.9	Very low	26.5	Very low	133.6 Å²	133.6	137.6 Å²	137.6	82%	0.82	71%	0.714	S	S	*	*			trans	-145.6	136.2	146.4	28.5	0	0	0	0	112.7	S1447	S1447-T1449 VanDerWaalsContact C-N 3.35Å; S1447-T1449 PolarHBondContact O-N 3.27Å
1450	K	26.1	Very low	26.7	Very low	188.2 Å²	188.2	139.1 Å²	139.1	82%	0.818	72%	0.716	S	S	*	*			trans	-103	148.4	164.7	-73.5	-177.9	178.7	-178.5	0	110.3	L1448 L1452	L1448-K1450 PolarHBondContact O-N 3.35Å; L1448-K1450 VanDerWaalsContact O-N 3.15Å; K1450-L1452 HydrophobicContact CB-CD1 4.43Å; K1450-L1452 PolarHBondContact O-N 2.71Å
1451	P	27.4	Very low	27.1	Very low	105.4 Å²	105.4	140.8 Å²	140.8	68%	0.684	71%	0.714	S	S	*	*			trans	-92.1	151.5	167	32.3	-29.8	0	0	0	110.1	Y1453	P1451-Y1453 VanDerWaalsContact C-N 3.26Å; P1451-Y1453 HydrophobicContact CB-CD2 4.06Å; P1451-Y1453 HydrophobicContact CB-CE2 3.92Å; P1451-Y1453 HydrophobicContact CG-CD2 4.21Å; P1451-Y1453 HydrophobicContact CG-CE2 3.95Å; P1451-Y1453 PolarHBondContact O-N 2.87Å
1452	L	24	Very low	27.2	Very low	141.8 Å²	141.8	141.6 Å²	141.6	74%	0.742	72%	0.716	S	S	*	*			trans	10.6	129	144.3	-79.5	126.8	0	0	0	110.8	K1450 Y1454	K1450-L1452 HydrophobicContact CB-CD1 4.43Å; K1450-L1452 PolarHBondContact O-N 2.71Å; L1452-Y1454 VanDerWaalsContact C-N 3.28Å; L1452-Y1454 HydrophobicContact CD2-CD2 4Å; L1452-Y1454 HydrophobicContact CD2-CE2 3.94Å; L1452-Y1454 PolarHBondContact O-N 3.49Å
1453	Y	25	Very low	27.4	Very low	189.4 Å²	189.4	138.9 Å²	138.9	74%	0.743	71%	0.706	S	S	*	*			trans	-138.7	135.8	132.4	-117.2	-111.9	0	0	0	112.5	P1451 I1455	P1451-Y1453 VanDerWaalsContact C-N 3.26Å; P1451-Y1453 HydrophobicContact CB-CD2 4.06Å; P1451-Y1453 HydrophobicContact CB-CE2 3.92Å; P1451-Y1453 HydrophobicContact CG-CD2 4.21Å; P1451-Y1453 HydrophobicContact CG-CE2 3.95Å; P1451-Y1453 PolarHBondContact O-N 2.87Å; Y1453-I1455 HydrophobicContact CD1-CB 4.01Å; Y1453-I1455 HydrophobicContact CD1-CD1 4.1Å; Y1453-I1455 HydrophobicContact CD1-CG2 4.27Å; Y1453-I1455 HydrophobicContact CD2-CD1 4.03Å; Y1453-I1455 HydrophobicContact CE1-CB 3.96Å; Y1453-I1455 HydrophobicContact CE1-CD1 3.68Å; Y1453-I1455 HydrophobicContact CE1-CG1 4.42Å; Y1453-I1455 HydrophobicContact CE1-CG2 3.79Å; Y1453-I1455 HydrophobicContact CE2-CD1 3.61Å; Y1453-I1455 HydrophobicContact CG-CD1 4.28Å; Y1453-I1455 VanDerWaalsContact CZ-CD1 3.42Å; Y1453-I1455 PolarHBondContact O-N 3.1Å
1454	Y	24.8	Very low	27.7	Very low	178.8 Å²	178.8	140.3 Å²	140.3	70%	0.701	70%	0.702	S	S	*	*			trans	55.8	123.2	167.7	-99.4	-104.1	0	0	0	114.6	E1432 L1452 H1456	E1432-Y1454 VanDerWaalsContact CD-OH 3.24Å; E1432-Y1454 PolarHBondContact OE1-OH 3.15Å; E1432-Y1454 PolarHBondContact OE2-OH 3.38Å; L1452-Y1454 VanDerWaalsContact C-N 3.28Å; L1452-Y1454 HydrophobicContact CD2-CD2 4Å; L1452-Y1454 HydrophobicContact CD2-CE2 3.94Å; L1452-Y1454 PolarHBondContact O-N 3.49Å; Y1454-H1456 PolarHBondContact O-N 2.76Å
1455	I	27.1	Very low	28	Very low	121.4 Å²	121.4	139.7 Å²	139.7	62%	0.623	70%	0.697	S	S	*	*			trans	29.8	110.3	145.1	-57.9	178.2	0	0	0	112.4	Y1453 E1457	Y1453-I1455 HydrophobicContact CD1-CB 4.01Å; Y1453-I1455 HydrophobicContact CD1-CD1 4.1Å; Y1453-I1455 HydrophobicContact CD1-CG2 4.27Å; Y1453-I1455 HydrophobicContact CD2-CD1 4.03Å; Y1453-I1455 HydrophobicContact CE1-CB 3.96Å; Y1453-I1455 HydrophobicContact CE1-CD1 3.68Å; Y1453-I1455 HydrophobicContact CE1-CG1 4.42Å; Y1453-I1455 HydrophobicContact CE1-CG2 3.79Å; Y1453-I1455 HydrophobicContact CE2-CD1 3.61Å; Y1453-I1455 HydrophobicContact CG-CD1 4.28Å; Y1453-I1455 VanDerWaalsContact CZ-CD1 3.42Å; Y1453-I1455 PolarHBondContact O-N 3.1Å; I1455-E1457 HydrophobicContact CD1-CG 4.28Å; I1455-E1457 HydrophobicContact CG1-CG 4.13Å; I1455-E1457 HydrophobicContact CG2-CG 4.1Å; I1455-E1457 PolarHBondContact O-N 3.49Å
1456	H	26.9	Very low	28.4	Very low	146.2 Å²	146.2	140.7 Å²	140.7	68%	0.677	69%	0.694	S	S	*	*			trans	-116.1	100.8	150.6	-139	-75.3	0	0	0	109.1	Y1454 N1458 L1459	Y1454-H1456 PolarHBondContact O-N 2.76Å; H1456-N1458 VanDerWaalsContact C-N 3.33Å; H1456-N1458 PolarHBondContact NE2-ND2 3.05Å; H1456-N1458 PolarHBondContact O-N 3.19Å; H1456-N1458 VanDerWaalsContact O-N 3.15Å; H1456-L1459 HydrophobicContact CB-CD1 4.42Å; H1456-L1459 PolarHBondContact O-N 3.13Å
1457	E	30.2	Very low	28.7	Very low	124.4 Å²	124.4	139.8 Å²	139.8	58%	0.581	69%	0.689	S	S	*	*	H	α-helix	trans	-24	51.6	161	-74.5	-137.9	158.7	0	0	113.9	I1455 L1459 L1460 K1461	I1455-E1457 HydrophobicContact CD1-CG 4.28Å; I1455-E1457 HydrophobicContact CG1-CG 4.13Å; I1455-E1457 HydrophobicContact CG2-CG 4.1Å; I1455-E1457 PolarHBondContact O-N 3.49Å; E1457-L1459 PolarHBondContact O-N 2.97Å; E1457-L1459 VanDerWaalsContact O-N 3.07Å; E1457-L1460 PolarHBondContact O-N 3.23Å; E1457-K1461 HydrophobicContact CB-CD 4.28Å; E1457-K1461 WeakPolarHBondContact O-CB 3.37Å; E1457-K1461 WeakPolarHBondContact O-CG 3.38Å; E1457-K1461 PolarHBondContact O-N 2.85Å; E1457-K1461 WeakPolarHBondContact OE2-CE 3.15Å; E1457-K1461 IonicContact OE2-NZ 2.76Å; E1457-K1461 PolarHBondContact OE2-NZ 3.16Å
1458	N	32.5	Very low	28.9	Very low	108.8 Å²	108.8	138.7 Å²	138.7	58%	0.582	68%	0.682	S	S	*	*	H	α-helix	trans	-74.5	-1.2	155.5	-76.8	-41.8	0	0	0	114.8	H1456 L1460 K1461 R1462	H1456-N1458 VanDerWaalsContact C-N 3.33Å; H1456-N1458 PolarHBondContact NE2-ND2 3.05Å; H1456-N1458 PolarHBondContact O-N 3.19Å; H1456-N1458 VanDerWaalsContact O-N 3.15Å; N1458-L1460 PolarHBondContact O-N 3.04Å; N1458-L1460 VanDerWaalsContact O-N 3.12Å; N1458-K1461 PolarHBondContact O-N 3.36Å; N1458-K1461 WeakPolarHBondContact OD1-CD 3.35Å; N1458-K1461 PolarHBondContact OD1-NZ 3.35Å; N1458-R1462 WeakPolarHBondContact O-CB 3.4Å; N1458-R1462 PolarHBondContact O-N 3.04Å; N1458-R1462 VanDerWaalsContact O-N 3.14Å
1459	L	33.9	Very low	29.1	Very low	147 Å²	147	137.7 Å²	137.7	77%	0.77	68%	0.677	S	S	*	*	H	α-helix	trans	-86.1	-14.9	177.6	-88.6	167.2	0	0	0	113.6	H1456 E1457 K1461 R1462 A1463	H1456-L1459 HydrophobicContact CB-CD1 4.42Å; H1456-L1459 PolarHBondContact O-N 3.13Å; E1457-L1459 PolarHBondContact O-N 2.97Å; E1457-L1459 VanDerWaalsContact O-N 3.07Å; L1459-K1461 VanDerWaalsContact C-N 3.35Å; L1459-K1461 PolarHBondContact O-N 3.17Å; L1459-R1462 PolarHBondContact O-N 3.2Å; L1459-A1463 VanDerWaalsContact O-CB 3.3Å; L1459-A1463 WeakPolarHBondContact O-CB 3.28Å; L1459-A1463 PolarHBondContact O-N 2.87Å
1460	L	33.6	Very low	29.1	Very low	137.2 Å²	137.2	135.9 Å²	135.9	72%	0.718	67%	0.67	S	S	*	*	H	α-helix	trans	-93.6	9.2	171.5	-157.1	72	0	0	0	112.8	E1457 N1458 R1462 A1463 K1464	E1457-L1460 PolarHBondContact O-N 3.23Å; N1458-L1460 PolarHBondContact O-N 3.04Å; N1458-L1460 VanDerWaalsContact O-N 3.12Å; L1460-R1462 VanDerWaalsContact C-N 3.34Å; L1460-R1462 PolarHBondContact O-N 3.32Å; L1460-A1463 PolarHBondContact O-N 3.17Å; L1460-K1464 WeakPolarHBondContact O-CB 3.36Å; L1460-K1464 WeakPolarHBondContact O-CG 3.45Å; L1460-K1464 PolarHBondContact O-N 2.86Å
1461	K	34.1	Very low	29.2	Very low	144.6 Å²	144.6	133.4 Å²	133.4	63%	0.629	67%	0.665	S	S	*	*	S	Bend	trans	-91.7	7.9	171.7	-90.6	177.5	-177.9	161	0	112.8	E1457 N1458 L1459 K1464 F1465	E1457-K1461 HydrophobicContact CB-CD 4.28Å; E1457-K1461 WeakPolarHBondContact O-CB 3.37Å; E1457-K1461 WeakPolarHBondContact O-CG 3.38Å; E1457-K1461 PolarHBondContact O-N 2.85Å; E1457-K1461 WeakPolarHBondContact OE2-CE 3.15Å; E1457-K1461 IonicContact OE2-NZ 2.76Å; E1457-K1461 PolarHBondContact OE2-NZ 3.16Å; N1458-K1461 PolarHBondContact O-N 3.36Å; N1458-K1461 WeakPolarHBondContact OD1-CD 3.35Å; N1458-K1461 PolarHBondContact OD1-NZ 3.35Å; L1459-K1461 VanDerWaalsContact C-N 3.35Å; L1459-K1461 PolarHBondContact O-N 3.17Å; K1461-K1464 PolarHBondContact O-N 2.86Å; K1461-F1465 WeakPolarHBondContact O-CB 3.24Å; K1461-F1465 PolarHBondContact O-N 3.09Å
1462	R	29.7	Very low	29.3	Very low	208.8 Å²	208.8	134.6 Å²	134.6	79%	0.788	67%	0.665	S	S	*	*	S	Bend	trans	-106.2	1.9	168.6	-131.3	173.2	-176.1	-175.3	-0.5	114.4	N1458 L1459 L1460 F1465 I1466	N1458-R1462 WeakPolarHBondContact O-CB 3.4Å; N1458-R1462 PolarHBondContact O-N 3.04Å; N1458-R1462 VanDerWaalsContact O-N 3.14Å; L1459-R1462 PolarHBondContact O-N 3.2Å; L1460-R1462 VanDerWaalsContact C-N 3.34Å; L1460-R1462 PolarHBondContact O-N 3.32Å; R1462-F1465 HydrophobicContact CG-CD2 4.34Å; R1462-F1465 PolarHBondContact O-N 3.45Å; R1462-I1466 HydrophobicContact CG-CD1 4.19Å; R1462-I1466 WeakPolarHBondContact O-CB 3.46Å; R1462-I1466 WeakPolarHBondContact O-CD1 3.34Å; R1462-I1466 WeakPolarHBondContact O-CG1 3.38Å; R1462-I1466 PolarHBondContact O-N 3.48Å
1463	A	30.4	Very low	29.4	Very low	63 Å²	63	134 Å²	134	52%	0.521	66%	0.661	S	S	.	*	S	Bend	trans	-103.5	23.5	167.4	0	0	0	0	0	111.2	L1459 L1460 F1465 I1466 L1467	L1459-A1463 VanDerWaalsContact O-CB 3.3Å; L1459-A1463 WeakPolarHBondContact O-CB 3.28Å; L1459-A1463 PolarHBondContact O-N 2.87Å; L1460-A1463 PolarHBondContact O-N 3.17Å; A1463-F1465 VanDerWaalsContact C-N 3.3Å; A1463-F1465 PolarHBondContact O-N 2.83Å; A1463-I1466 PolarHBondContact O-N 2.99Å; A1463-L1467 WeakPolarHBondContact O-CB 3.47Å; A1463-L1467 WeakPolarHBondContact O-CG 3.37Å; A1463-L1467 PolarHBondContact O-N 3.01Å
1464	K	32.5	Very low	29.7	Very low	141.8 Å²	141.8	131.4 Å²	131.4	62%	0.617	66%	0.66	S	S	*	*	H	α-helix	trans	-100	51.8	168.5	-83.2	167.4	173.4	178.8	0	111.4	L975 L1460 K1461 I1466 L1467 S1468 D1538	L975-K1464 HydrophobicContact CD1-CB 3.5Å; L975-K1464 HydrophobicContact CD1-CD 4.31Å; L975-K1464 HydrophobicContact CD1-CG 4Å; L975-K1464 HydrophobicContact CD2-CB 4.39Å; L975-K1464 HydrophobicContact CD2-CD 3.72Å; L975-K1464 HydrophobicContact CD2-CG 3.96Å; L975-K1464 HydrophobicContact CG-CB 3.82Å; L975-K1464 HydrophobicContact CG-CD 4.11Å; L975-K1464 HydrophobicContact CG-CG 3.78Å; L1460-K1464 WeakPolarHBondContact O-CB 3.36Å; L1460-K1464 WeakPolarHBondContact O-CG 3.45Å; L1460-K1464 PolarHBondContact O-N 2.86Å; K1461-K1464 PolarHBondContact O-N 2.86Å; K1464-I1466 VanDerWaalsContact C-N 3.32Å; K1464-I1466 HydrophobicContact CB-CB 4.09Å; K1464-I1466 HydrophobicContact CB-CD1 4.23Å; K1464-I1466 HydrophobicContact CB-CG1 4.24Å; K1464-I1466 HydrophobicContact CD-CD1 4.41Å; K1464-I1466 HydrophobicContact CG-CB 3.72Å; K1464-I1466 HydrophobicContact CG-CD1 3.94Å; K1464-I1466 HydrophobicContact CG-CG1 4.03Å; K1464-I1466 PolarHBondContact O-N 2.95Å; K1464-I1466 VanDerWaalsContact O-N 3.13Å; K1464-L1467 CarbonylContact O-C 3.4Å; K1464-L1467 PolarHBondContact O-N 3.33Å; K1464-S1468 WeakPolarHBondContact O-CB 3.46Å; K1464-S1468 PolarHBondContact O-N 3.14Å; K1464-S1468 PolarHBondContact O-OG 3.4Å; K1464-S1468 VanDerWaalsContact O-OG 3.06Å; K1464-D1538 IonicContact NZ-OD2 2.62Å; K1464-D1538 PolarHBondContact NZ-OD2 3.14Å
1465	F	31.4	Very low	29.8	Very low	152.8 Å²	152.8	130.7 Å²	130.7	67%	0.67	66%	0.663	S	S	*	*			trans	-66	42.4	141.5	-128.9	-99.4	0	0	0	112.6	K1461 R1462 A1463 L1467 S1468 N1469	K1461-F1465 WeakPolarHBondContact O-CB 3.24Å; K1461-F1465 PolarHBondContact O-N 3.09Å; R1462-F1465 HydrophobicContact CG-CD2 4.34Å; R1462-F1465 PolarHBondContact O-N 3.45Å; A1463-F1465 VanDerWaalsContact C-N 3.3Å; A1463-F1465 PolarHBondContact O-N 2.83Å; F1465-L1467 HydrophobicContact CB-CB 4.46Å; F1465-L1467 HydrophobicContact CD1-CB 3.3Å; F1465-L1467 HydrophobicContact CD2-CB 4.09Å; F1465-L1467 HydrophobicContact CE1-CB 3.37Å; F1465-L1467 HydrophobicContact CE1-CD1 4.12Å; F1465-L1467 HydrophobicContact CE1-CG 4.32Å; F1465-L1467 HydrophobicContact CE2-CB 4.12Å; F1465-L1467 HydrophobicContact CE2-CD1 3.92Å; F1465-L1467 HydrophobicContact CG-CB 3.68Å; F1465-L1467 HydrophobicContact CZ-CB 3.78Å; F1465-L1467 HydrophobicContact CZ-CD1 3.67Å; F1465-L1467 HydrophobicContact CZ-CG 4.35Å; F1465-L1467 PolarHBondContact O-N 3.32Å; F1465-S1468 WeakPolarHBondContact CA-OG 3.31Å; F1465-S1468 WeakPolarHBondContact CE1-OG 3.35Å; F1465-S1468 PolarHBondContact O-N 3.35Å; F1465-S1468 PolarHBondContact O-OG 3.46Å; F1465-S1468 VanDerWaalsContact O-OG 3.12Å; F1465-N1469 WeakPolarHBondContact CD1-ND2 3.44Å; F1465-N1469 WeakPolarHBondContact CE1-ND2 3.29Å; F1465-N1469 WeakPolarHBondContact CZ-ND2 3.22Å; F1465-N1469 WeakPolarHBondContact O-CB 3.37Å; F1465-N1469 PolarHBondContact O-N 2.77Å; F1465-N1469 VanDerWaalsContact O-N 3.12Å; F1465-N1469 PolarHBondContact O-ND2 3.4Å
1466	I	32.4	Very low	29.9	Very low	116.8 Å²	116.8	130.3 Å²	130.3	60%	0.599	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	70.1	151.9	-63.7	170	0	0	0	109.4	T973 C974 L975 R1462 A1463 K1464 S1470	T973-I1466 VanDerWaalsContact C-CG2 3.44Å; T973-I1466 VanDerWaalsContact CA-CG2 3.42Å; C974-I1466 CarbonylContact C-O 3.57Å; C974-I1466 WeakPolarHBondContact CA-O 3.49Å; C974-I1466 PolarHBondContact N-O 3.3Å; L975-I1466 WeakPolarHBondContact CB-O 3.48Å; L975-I1466 PolarHBondContact N-O 2.8Å; R1462-I1466 HydrophobicContact CG-CD1 4.19Å; R1462-I1466 WeakPolarHBondContact O-CB 3.46Å; R1462-I1466 WeakPolarHBondContact O-CD1 3.34Å; R1462-I1466 WeakPolarHBondContact O-CG1 3.38Å; R1462-I1466 PolarHBondContact O-N 3.48Å; A1463-I1466 PolarHBondContact O-N 2.99Å; K1464-I1466 VanDerWaalsContact C-N 3.32Å; K1464-I1466 HydrophobicContact CB-CB 4.09Å; K1464-I1466 HydrophobicContact CB-CD1 4.23Å; K1464-I1466 HydrophobicContact CB-CG1 4.24Å; K1464-I1466 HydrophobicContact CD-CD1 4.41Å; K1464-I1466 HydrophobicContact CG-CB 3.72Å; K1464-I1466 HydrophobicContact CG-CD1 3.94Å; K1464-I1466 HydrophobicContact CG-CG1 4.03Å; K1464-I1466 PolarHBondContact O-N 2.95Å; K1464-I1466 VanDerWaalsContact O-N 3.13Å; I1466-S1470 PolarHBondContact O-N 3.38Å; I1466-S1470 PolarHBondContact O-OG 3.03Å
1467	L	28.8	Very low	30	Very low	133 Å²	133	129.6 Å²	129.6	70%	0.696	67%	0.67	S	S	*	*	S	Bend	trans	-132.6	28.2	176.7	-74.4	170.8	0	0	0	115	T973 C974 L975 A1463 K1464 F1465 N1469	T973-L1467 VanDerWaalsContact CB-N 3.29Å; C974-L1467 HydrophobicContact CB-CD2 4.34Å; L975-L1467 HydrophobicContact CB-CD1 3.85Å; L975-L1467 HydrophobicContact CB-CG 4.02Å; L975-L1467 HydrophobicContact CD1-CD1 4.37Å; A1463-L1467 WeakPolarHBondContact O-CB 3.47Å; A1463-L1467 WeakPolarHBondContact O-CG 3.37Å; A1463-L1467 PolarHBondContact O-N 3.01Å; K1464-L1467 CarbonylContact O-C 3.4Å; K1464-L1467 PolarHBondContact O-N 3.33Å; F1465-L1467 HydrophobicContact CB-CB 4.46Å; F1465-L1467 HydrophobicContact CD1-CB 3.3Å; F1465-L1467 HydrophobicContact CD2-CB 4.09Å; F1465-L1467 HydrophobicContact CE1-CB 3.37Å; F1465-L1467 HydrophobicContact CE1-CD1 4.12Å; F1465-L1467 HydrophobicContact CE1-CG 4.32Å; F1465-L1467 HydrophobicContact CE2-CB 4.12Å; F1465-L1467 HydrophobicContact CE2-CD1 3.92Å; F1465-L1467 HydrophobicContact CG-CB 3.68Å; F1465-L1467 HydrophobicContact CZ-CB 3.78Å; F1465-L1467 HydrophobicContact CZ-CD1 3.67Å; F1465-L1467 HydrophobicContact CZ-CG 4.35Å; F1465-L1467 PolarHBondContact O-N 3.32Å; L1467-N1469 VanDerWaalsContact C-N 3.25Å; L1467-N1469 PolarHBondContact O-N 3.38Å
1468	S	27.9	Very low	30.1	Very low	76.2 Å²	76.2	128.5 Å²	128.5	53%	0.533	67%	0.673	S	S	.	*			trans	-107.1	66.7	164.2	53.9	0	0	0	0	113.4	T973 K1464 F1465 S1470	T973-S1468 VanDerWaalsContact CG2-N 3.28Å; T973-S1468 WeakPolarHBondContact CG2-OG 3.16Å; T973-S1468 PolarHBondContact OG1-O 3.26Å; K1464-S1468 WeakPolarHBondContact O-CB 3.46Å; K1464-S1468 PolarHBondContact O-N 3.14Å; K1464-S1468 PolarHBondContact O-OG 3.4Å; K1464-S1468 VanDerWaalsContact O-OG 3.06Å; F1465-S1468 WeakPolarHBondContact CA-OG 3.31Å; F1465-S1468 WeakPolarHBondContact CE1-OG 3.35Å; F1465-S1468 PolarHBondContact O-N 3.35Å; F1465-S1468 PolarHBondContact O-OG 3.46Å; F1465-S1468 VanDerWaalsContact O-OG 3.12Å; S1468-S1470 PolarHBondContact O-N 3.48Å; S1468-S1470 VanDerWaalsContact O-N 3.12Å
1469	N	27.4	Very low	29.9	Very low	132 Å²	132	128.6 Å²	128.6	71%	0.706	68%	0.678	S	S	*	*			trans	-113.6	82.5	160.2	-82.1	-15.1	0	0	0	112.1	S972 T973 C974 F1465 L1467 L1471	S972-N1469 PolarHBondContact O-ND2 3.46Å; T973-N1469 WeakPolarHBondContact OG1-CB 3.48Å; T973-N1469 VanDerWaalsContact OG1-CG 3.25Å; T973-N1469 PolarHBondContact OG1-N 3.34Å; T973-N1469 PolarHBondContact OG1-ND2 2.98Å; T973-N1469 VanDerWaalsContact OG1-ND2 3.15Å; C974-N1469 PolarHBondContact SG-O 3.1Å; F1465-N1469 WeakPolarHBondContact CD1-ND2 3.44Å; F1465-N1469 WeakPolarHBondContact CE1-ND2 3.29Å; F1465-N1469 WeakPolarHBondContact CZ-ND2 3.22Å; F1465-N1469 WeakPolarHBondContact O-CB 3.37Å; F1465-N1469 PolarHBondContact O-N 2.77Å; F1465-N1469 VanDerWaalsContact O-N 3.12Å; F1465-N1469 PolarHBondContact O-ND2 3.4Å; L1467-N1469 VanDerWaalsContact C-N 3.25Å; L1467-N1469 PolarHBondContact O-N 3.38Å; N1469-L1471 PolarHBondContact O-N 2.9Å; N1469-L1471 VanDerWaalsContact O-N 3.08Å
1470	S	25.6	Very low	29.7	Very low	96.2 Å²	96.2	128.2 Å²	128.2	67%	0.673	68%	0.677	S	S	*	*			trans	-110.7	125	149.6	43.1	0	0	0	0	111.8	I1466 S1468 L1472	I1466-S1470 PolarHBondContact O-N 3.38Å; I1466-S1470 PolarHBondContact O-OG 3.03Å; S1468-S1470 PolarHBondContact O-N 3.48Å; S1468-S1470 VanDerWaalsContact O-N 3.12Å; S1470-L1472 PolarHBondContact O-N 3.11Å
1471	L	28.5	Very low	29.6	Very low	135.8 Å²	135.8	127.2 Å²	127.2	71%	0.711	68%	0.676	S	S	*	*			trans	-137.2	124.4	141.7	-156.3	67.1	0	0	0	114.9	N1469 I1473	N1469-L1471 PolarHBondContact O-N 2.9Å; N1469-L1471 VanDerWaalsContact O-N 3.08Å; L1471-I1473 VanDerWaalsContact C-N 3.3Å; L1471-I1473 HydrophobicContact CD2-CD1 3.72Å; L1471-I1473 HydrophobicContact CD2-CG1 4.43Å; L1471-I1473 HydrophobicContact CG-CD1 4.01Å; L1471-I1473 HydrophobicContact CG-CG1 4.17Å; L1471-I1473 PolarHBondContact O-N 2.97Å
1472	L	28.2	Very low	29.4	Very low	130.6 Å²	130.6	127.3 Å²	127.3	68%	0.684	68%	0.683	S	S	*	*			trans	56.9	117.8	165.4	-64.8	153	0	0	0	115.8	S1470 E1475	S1470-L1472 PolarHBondContact O-N 3.11Å; L1472-E1475 HydrophobicContact CD2-CB 4.35Å
1473	I	26.9	Very low	29.4	Very low	128.2 Å²	128.2	124.2 Å²	124.2	66%	0.657	68%	0.682	S	S	*	*				-170.2	128.8	53.8	-71.9	172.1	0	0	0	109.7	L1471	L1471-I1473 VanDerWaalsContact C-N 3.3Å; L1471-I1473 HydrophobicContact CD2-CD1 3.72Å; L1471-I1473 HydrophobicContact CD2-CG1 4.43Å; L1471-I1473 HydrophobicContact CG-CD1 4.01Å; L1471-I1473 HydrophobicContact CG-CG1 4.17Å; L1471-I1473 PolarHBondContact O-N 2.97Å
1474	N	30.4	Very low	29.4	Very low	134.8 Å²	134.8	124.9 Å²	124.9	72%	0.721	69%	0.687	S	S	*	*			trans	109.9	126.4	147.5	-82.4	-7.9	0	0	0	115.6	P1476	N1474-P1476 WeakPolarHBondContact O-CD 3.27Å
1475	E	27.4	Very low	29.2	Very low	164.8 Å²	164.8	125 Å²	125	77%	0.77	69%	0.693	S	S	*	*			trans	-59.9	144.3	135	-119.8	179.9	177.1	0	0	110.9	L1472 D1477	L1472-E1475 HydrophobicContact CD2-CB 4.35Å; E1475-D1477 PolarHBondContact O-N 2.76Å
1476	P	29.6	Very low	29.1	Very low	113.2 Å²	113.2	122.5 Å²	122.5	74%	0.735	69%	0.691	S	S	*	*				-126	162	98.7	37.2	-23.6	0	0	0	114.5	N1474	N1474-P1476 WeakPolarHBondContact O-CD 3.27Å
1477	D	28.3	Very low	29	Very low	131.6 Å²	131.6	124.6 Å²	124.6	70%	0.704	70%	0.698	S	S	*	*			trans	-79.9	154.8	152.9	-140.5	-1.2	0	0	0	112.1	E1475 T1479 D1480	E1475-D1477 PolarHBondContact O-N 2.76Å; D1477-T1479 PolarHBondContact O-N 2.65Å; D1477-T1479 WeakPolarHBondContact OD1-CB 3.22Å; D1477-T1479 PolarHBondContact OD1-N 3.23Å; D1477-T1479 VanDerWaalsContact OD1-N 3.09Å; D1477-T1479 PolarHBondContact OD1-OG1 3.32Å; D1477-T1479 PolarHBondContact OD2-N 2.87Å; D1477-T1479 PolarHBondContact OD2-OG1 2.84Å; D1477-D1480 PolarHBondContact O-N 2.94Å
1478	P	32.4	Very low	29	Very low	101.6 Å²	101.6	124.2 Å²	124.2	66%	0.66	70%	0.697	S	S	*	*			trans	-116.2	160.7	180	34.8	-24.6	0	0	0	113.8	D1480 T1481	P1478-D1480 VanDerWaalsContact C-N 3.32Å; P1478-D1480 PolarHBondContact O-N 2.93Å; P1478-T1481 PolarHBondContact O-N 3.41Å
1479	T	28.9	Very low	29.1	Very low	109.6 Å²	109.6	126.7 Å²	126.7	67%	0.672	70%	0.704	S	S	*	*			trans	53.9	152.3	157.5	-1.7	0	0	0	0	117.4	D1477 T1481 L1482	D1477-T1479 PolarHBondContact O-N 2.65Å; D1477-T1479 WeakPolarHBondContact OD1-CB 3.22Å; D1477-T1479 PolarHBondContact OD1-N 3.23Å; D1477-T1479 VanDerWaalsContact OD1-N 3.09Å; D1477-T1479 PolarHBondContact OD1-OG1 3.32Å; D1477-T1479 PolarHBondContact OD2-N 2.87Å; D1477-T1479 PolarHBondContact OD2-OG1 2.84Å; T1479-T1481 VanDerWaalsContact C-N 3.33Å; T1479-T1481 PolarHBondContact O-N 2.97Å; T1479-L1482 PolarHBondContact O-N 2.83Å
1480	D	29.9	Very low	29.1	Very low	139.6 Å²	139.6	126.8 Å²	126.8	75%	0.747	71%	0.705	S	S	*	*			trans	54	85.7	163.3	-68.3	-11.4	0	0	0	119.2	D1477 P1478 L1482	D1477-D1480 PolarHBondContact O-N 2.94Å; P1478-D1480 VanDerWaalsContact C-N 3.32Å; P1478-D1480 PolarHBondContact O-N 2.93Å; D1480-L1482 VanDerWaalsContact C-N 3.3Å; D1480-L1482 PolarHBondContact O-N 2.55Å
1481	T	31.4	Very low	29.2	Very low	116.2 Å²	116.2	126.6 Å²	126.6	71%	0.713	70%	0.703	S	S	*	*				107.5	88.2	122.2	-50.3	0	0	0	0	115.7	P1478 T1479	P1478-T1481 PolarHBondContact O-N 3.41Å; T1479-T1481 VanDerWaalsContact C-N 3.33Å; T1479-T1481 PolarHBondContact O-N 2.97Å
1482	L	29.1	Very low	29.2	Very low	146 Å²	146	126 Å²	126	76%	0.764	70%	0.701	S	S	*	*			trans	55.2	122.2	151.2	-62.7	179	0	0	0	116.3	T1479 D1480	T1479-L1482 PolarHBondContact O-N 2.83Å; D1480-L1482 VanDerWaalsContact C-N 3.3Å; D1480-L1482 PolarHBondContact O-N 2.55Å
1483	L	30.7	Very low	29.2	Very low	145.2 Å²	145.2	125.2 Å²	125.2	76%	0.76	70%	0.697	S	S	*	*				54	129.2	114.5	-91.8	148.2	0	0	0	115.1	L1485	L1483-L1485 VanDerWaalsContact C-N 3.3Å; L1483-L1485 PolarHBondContact O-N 2.95Å
1484	A	29.9	Very low	29.2	Very low	76.4 Å²	76.4	125 Å²	125	63%	0.631	70%	0.698	S	S	*	*			trans	78.8	138.5	138.6	0	0	0	0	0	114.9
1485	L	28	Very low	29	Very low	144 Å²	144	124.8 Å²	124.8	75%	0.754	70%	0.696	S	S	*	*				44.9	140.1	119.7	-58.4	177.6	0	0	0	116.2	D1408 T1409 T1410 L1483	D1408-L1485 WeakPolarHBondContact OD1-CA 3.42Å; T1409-L1485 HydrophobicContact CG2-CD2 3.73Å; T1409-L1485 WeakPolarHBondContact OG1-CA 3.34Å; T1409-L1485 VanDerWaalsContact OG1-CB 3.25Å; T1409-L1485 WeakPolarHBondContact OG1-CB 3.41Å; T1410-L1485 HydrophobicContact CG2-CB 3.95Å; T1410-L1485 HydrophobicContact CG2-CD1 4.25Å; L1483-L1485 VanDerWaalsContact C-N 3.3Å; L1483-L1485 PolarHBondContact O-N 2.95Å
1486	T	29.8	Very low	29	Very low	101.2 Å²	101.2	125.3 Å²	125.3	62%	0.621	70%	0.699	S	S	*	*			trans	-139.3	141.5	172.1	38.4	0	0	0	0	112.2	D1408 T1409 T1410 D1488	D1408-T1486 PolarHBondContact OD1-N 3.24Å; T1409-T1486 PolarHBondContact OG1-N 3.4Å; T1409-T1486 VanDerWaalsContact OG1-N 3.15Å; T1410-T1486 HydrophobicContact CG2-CG2 3.38Å; T1486-D1488 PolarHBondContact O-N 3.15Å
1487	E	30.7	Very low	28.8	Very low	161.4 Å²	161.4	124.5 Å²	124.5	75%	0.754	70%	0.696	S	S	*	*			trans	-125.9	121.5	144.8	-83.5	168.2	-170.2	0	0	113.1	T1410 N1489	T1410-E1487 PolarHBondContact OG1-OE1 3.04Å; E1487-N1489 VanDerWaalsContact C-N 3.34Å; E1487-N1489 PolarHBondContact O-N 3.01Å
1488	D	28.6	Very low	28.7	Very low	124.4 Å²	124.4	126.6 Å²	126.6	67%	0.665	70%	0.701	S	S	*	*			trans	-62.2	134.2	130.2	-103.5	-7.2	0	0	0	115.8	F1406 T1486 N1490	F1406-D1488 PolarHBondContact O-N 3.49Å; T1486-D1488 PolarHBondContact O-N 3.15Å; D1488-N1490 PolarHBondContact O-N 3.31Å
1489	N	29	Very low	28.3	Very low	127.6 Å²	127.6	133 Å²	133	68%	0.682	71%	0.712	S	S	*	*			trans	84.4	122	141.4	-85.2	-54	0	0	0	118.9	L1403 E1487	L1403-N1489 CarbonylContact C-O 3.6Å; L1403-N1489 PolarHBondContact N-O 2.77Å; L1403-N1489 CarbonylContact O-C 3.6Å; E1487-N1489 VanDerWaalsContact C-N 3.34Å; E1487-N1489 PolarHBondContact O-N 3.01Å
1490	N	27.8	Very low	28.1	Very low	134.6 Å²	134.6	133 Å²	133	72%	0.72	72%	0.717	S	S	*	*			trans	167.4	125.7	130.7	-119.3	-32.2	0	0	0	115	N1402 D1488 N1492	N1402-N1490 WeakPolarHBondContact CA-O 3.12Å; N1402-N1490 VanDerWaalsContact N-C 3.31Å; N1402-N1490 PolarHBondContact N-O 3.27Å; D1488-N1490 PolarHBondContact O-N 3.31Å; N1490-N1492 VanDerWaalsContact C-N 3.29Å; N1490-N1492 PolarHBondContact O-N 3.36Å; N1490-N1492 VanDerWaalsContact O-N 3.11Å
1491	S	28.4	Very low	27.9	Very low	92.6 Å²	92.6	131.1 Å²	131.1	65%	0.648	71%	0.714	S	S	*	*			trans	152.2	128.3	138.6	97.3	0	0	0	0	113.6	S1400 N1401 N1402	S1400-S1491 PolarHBondContact O-OG 3.24Å; N1401-S1491 CarbonylContact C-O 3.49Å; N1401-S1491 WeakPolarHBondContact CA-O 3.06Å; N1401-S1491 PolarHBondContact N-O 2.76Å; N1401-S1491 VanDerWaalsContact N-O 3.07Å; N1401-S1491 PolarHBondContact N-OG 2.98Å; N1401-S1491 VanDerWaalsContact N-OG 3.14Å; N1402-S1491 WeakPolarHBondContact CB-O 3.47Å; N1402-S1491 PolarHBondContact N-O 3.12Å; N1402-S1491 PolarHBondContact N-OG 3.02Å; N1402-S1491 PolarHBondContact ND2-O 2.76Å; N1402-S1491 PolarHBondContact OD1-N 2.76Å; N1402-S1491 PolarHBondContact OD1-O 2.97Å
1492	N	27.6	Very low	27.5	Very low	122.8 Å²	122.8	133.1 Å²	133.1	66%	0.657	72%	0.721	S	S	*	*				156.1	139.8	112.8	-106.8	-6.5	0	0	0	115.2	S1400 N1401 N1490	S1400-N1492 WeakPolarHBondContact O-CB 3.04Å; N1401-N1492 VanDerWaalsContact CA-O 3.26Å; N1401-N1492 WeakPolarHBondContact CA-O 2.89Å; N1401-N1492 PolarHBondContact N-O 3.4Å; N1401-N1492 PolarHBondContact ND2-O 2.87Å; N1401-N1492 PolarHBondContact OD1-O 3.24Å; N1490-N1492 VanDerWaalsContact C-N 3.29Å; N1490-N1492 PolarHBondContact O-N 3.36Å; N1490-N1492 VanDerWaalsContact O-N 3.11Å
1493	N	27.5	Very low	27.4	Very low	112.8 Å²	112.8	133.2 Å²	133.2	60%	0.603	72%	0.72	S	S	*	*				100.9	128.8	121.1	-78.8	-26.1	0	0	0	116.7	E1398 N1399 N1495	E1398-N1493 VanDerWaalsContact C-ND2 3.31Å; E1398-N1493 VanDerWaalsContact CA-ND2 3.3Å; E1398-N1493 WeakPolarHBondContact CA-ND2 3.23Å; E1398-N1493 PolarHBondContact N-ND2 3.15Å; N1399-N1493 WeakPolarHBondContact OD1-CB 3.49Å; N1493-N1495 PolarHBondContact O-N 3.22Å
1494	N	27.3	Very low	27.1	Very low	125.4 Å²	125.4	133.2 Å²	133.2	67%	0.671	72%	0.721	S	S	*	*				117.4	139.3	92.5	-78.7	-17.4	0	0	0	116.4	S1396 I1397	S1396-N1494 WeakPolarHBondContact CA-ND2 3.3Å; S1396-N1494 WeakPolarHBondContact CB-ND2 3.25Å; S1396-N1494 WeakPolarHBondContact CB-OD1 3.31Å; I1397-N1494 WeakPolarHBondContact CA-ND2 3.09Å; I1397-N1494 HydrophobicContact CB-CB 4.39Å; I1397-N1494 HydrophobicContact CG1-CB 3.8Å; I1397-N1494 PolarHBondContact N-ND2 3.03Å
1495	N	27.3	Very low	26.9	Very low	129.4 Å²	129.4	136.3 Å²	136.3	69%	0.692	73%	0.726	S	S	*	*			trans	130.5	133.9	132.4	-84.7	-25.7	0	0	0	117.7	K1395 S1396 I1397 N1493 S1497	K1395-N1495 PolarHBondContact O-OD1 2.99Å; S1396-N1495 PolarHBondContact O-ND2 2.81Å; S1396-N1495 PolarHBondContact O-OD1 2.72Å; S1396-N1495 VanDerWaalsContact O-OD1 3.05Å; S1396-N1495 WeakPolarHBondContact OG-CA 3.35Å; S1396-N1495 PolarHBondContact OG-N 3.35Å; S1396-N1495 VanDerWaalsContact OG-N 3.09Å; I1397-N1495 HydrophobicContact CD1-CB 3.82Å; I1397-N1495 VanDerWaalsContact CD1-ND2 3.27Å; I1397-N1495 WeakPolarHBondContact CD1-ND2 3.42Å; I1397-N1495 HydrophobicContact CG1-CB 3.65Å; I1397-N1495 WeakPolarHBondContact CG1-ND2 3.29Å; N1493-N1495 PolarHBondContact O-N 3.22Å; N1495-S1497 PolarHBondContact O-N 3.48Å
1496	Q	26.3	Very low	26.7	Very low	175 Å²	175	135.3 Å²	135.3	82%	0.818	72%	0.721	S	S	*	*			trans	-35.4	144.8	155.5	-84.3	177.1	-0.9	0	0	114.3
1497	S	25	Very low	26.5	Very low	96.4 Å²	96.4	138 Å²	138	67%	0.674	73%	0.727	S	S	*	*			trans	-152.5	130.5	149.3	57	0	0	0	0	112.9	N1495 R1499	N1495-S1497 PolarHBondContact O-N 3.48Å; S1497-R1499 PolarHBondContact O-N 3.23Å
1498	H	27.3	Very low	26.2	Very low	176.6 Å²	176.6	135.1 Å²	135.1	82%	0.818	73%	0.725	S	S	*	*			trans	-54.7	118.6	157.4	-68.5	-77.2	0	0	0	114.6
1499	R	23.5	Very low	26.2	Very low	236.6 Å²	236.6	134.1 Å²	134.1	89%	0.893	73%	0.727	S	S	*	*			trans	140.7	125	135.7	-136.2	-178.9	-178.2	-178.1	-0.4	114.5	S1497 S1501	S1497-R1499 PolarHBondContact O-N 3.23Å; R1499-S1501 PolarHBondContact O-N 3.48Å
1500	S	24.1	Very low	26.1	Very low	109.6 Å²	109.6	134.9 Å²	134.9	77%	0.766	73%	0.73	S	S	*	*			trans	-134.7	130.1	170	49.4	0	0	0	0	110.8
1501	S	25.8	Very low	26.1	Very low	99.2 Å²	99.2	136.8 Å²	136.8	69%	0.694	73%	0.732	S	S	*	*			trans	160.2	111.9	135.2	55.3	0	0	0	0	112.8	R1499 I1503	R1499-S1501 PolarHBondContact O-N 3.48Å; S1501-I1503 PolarHBondContact O-N 3.37Å
1502	N	24.1	Very low	26	Very low	158.8 Å²	158.8	138.7 Å²	138.7	85%	0.849	74%	0.735	S	S	*	*			trans	17.3	135.2	160.9	-64.9	-10.1	0	0	0	115.6	N1504	N1502-N1504 PolarHBondContact O-N 3Å
1503	I	26.9	Very low	25.8	Very low	147 Å²	147	142.1 Å²	142.1	75%	0.754	74%	0.74	S	S	*	*			trans	176.9	110.7	149.2	-71.3	158.3	0	0	0	110.7	S1501 L1505	S1501-I1503 PolarHBondContact O-N 3.37Å; I1503-L1505 HydrophobicContact CG2-CB 4.22Å; I1503-L1505 HydrophobicContact CG2-CD1 3.83Å; I1503-L1505 HydrophobicContact CG2-CG 3.93Å; I1503-L1505 PolarHBondContact O-N 3.26Å; I1503-L1505 VanDerWaalsContact O-N 3.08Å
1504	N	24.5	Very low	25.7	Very low	145.6 Å²	145.6	144.9 Å²	144.9	78%	0.779	75%	0.747	S	S	*	*			trans	-62.2	133.3	154.6	-85	-20.2	0	0	0	111.8	N1502 N1506	N1502-N1504 PolarHBondContact O-N 3Å; N1504-N1506 PolarHBondContact O-N 3.15Å
1505	L	25.5	Very low	25.5	Very low	140.8 Å²	140.8	145.7 Å²	145.7	74%	0.737	75%	0.751	S	S	*	*			trans	-108.5	104.5	149.3	-82.9	166.1	0	0	0	111.2	I920 I1503 Q1507	I920-L1505 HydrophobicContact CB-CB 3.82Å; I920-L1505 HydrophobicContact CB-CD2 4.39Å; I920-L1505 HydrophobicContact CD1-CB 4.01Å; I920-L1505 HydrophobicContact CD1-CD2 3.48Å; I920-L1505 VanDerWaalsContact CD1-CD2 3.48Å; I920-L1505 HydrophobicContact CD1-CG 4.34Å; I920-L1505 HydrophobicContact CG1-CB 4.2Å; I920-L1505 HydrophobicContact CG1-CD2 3.84Å; I920-L1505 HydrophobicContact CG2-CB 3.75Å; I920-L1505 HydrophobicContact CG2-CD1 4.11Å; I920-L1505 HydrophobicContact CG2-CD2 4.35Å; I920-L1505 HydrophobicContact CG2-CG 4.26Å; I1503-L1505 HydrophobicContact CG2-CB 4.22Å; I1503-L1505 HydrophobicContact CG2-CD1 3.83Å; I1503-L1505 HydrophobicContact CG2-CG 3.93Å; I1503-L1505 PolarHBondContact O-N 3.26Å; I1503-L1505 VanDerWaalsContact O-N 3.08Å; L1505-Q1507 VanDerWaalsContact C-N 3.32Å; L1505-Q1507 HydrophobicContact CD2-CB 4.33Å; L1505-Q1507 HydrophobicContact CD2-CG 3.9Å; L1505-Q1507 PolarHBondContact O-N 3.44Å
1506	N	24.4	Very low	25.4	Very low	122.8 Å²	122.8	144.1 Å²	144.1	66%	0.657	75%	0.749	S	S	*	*			trans	-100.8	135.6	151	-68.7	-26.1	0	0	0	110.8	N919 I920 Q921 N1504 S1508	N919-N1506 CarbonylContact O-C 3.58Å; N919-N1506 VanDerWaalsContact O-CA 3.26Å; N919-N1506 WeakPolarHBondContact O-CA 3.07Å; N919-N1506 VanDerWaalsContact O-O 3.06Å; I920-N1506 CarbonylContact O-C 3.43Å; I920-N1506 VanDerWaalsContact O-C 3.25Å; I920-N1506 WeakPolarHBondContact O-CA 3.37Å; I920-N1506 WeakPolarHBondContact O-CB 3.35Å; I920-N1506 PolarHBondContact O-OD1 3.23Å; Q921-N1506 PolarHBondContact O-ND2 2.95Å; N1504-N1506 PolarHBondContact O-N 3.15Å; N1506-S1508 PolarHBondContact O-N 3.23Å
1507	Q	25.7	Very low	25.2	Very low	157.8 Å²	157.8	142.6 Å²	142.6	74%	0.737	75%	0.746	S	S	*	*				118.1	133.4	126.9	-94.1	176.5	8.8	0	0	113.3	N919 I920 Q921 L1505 S1509	N919-Q1507 VanDerWaalsContact C-CA 3.46Å; N919-Q1507 WeakPolarHBondContact O-CA 3.48Å; N919-Q1507 PolarHBondContact O-N 2.68Å; I920-Q1507 VanDerWaalsContact C-CD 3.45Å; I920-Q1507 WeakPolarHBondContact O-CA 3.47Å; I920-Q1507 WeakPolarHBondContact O-CB 3.16Å; I920-Q1507 PolarHBondContact O-N 3.14Å; Q921-Q1507 VanDerWaalsContact CA-OE1 3.31Å; Q921-Q1507 VanDerWaalsContact O-CB 3.29Å; Q921-Q1507 WeakPolarHBondContact O-CB 3.29Å; L1505-Q1507 VanDerWaalsContact C-N 3.32Å; L1505-Q1507 HydrophobicContact CD2-CB 4.33Å; L1505-Q1507 HydrophobicContact CD2-CG 3.9Å; L1505-Q1507 PolarHBondContact O-N 3.44Å; Q1507-S1509 PolarHBondContact O-N 2.86Å
1508	S	24.2	Very low	25.2	Very low	101.6 Å²	101.6	143.1 Å²	143.1	71%	0.71	75%	0.75	S	S	*	*			trans	-150.1	126.4	161.3	56.9	0	0	0	0	112.9	N1506 I1510	N1506-S1508 PolarHBondContact O-N 3.23Å; S1508-I1510 PolarHBondContact O-N 3Å
1509	S	28.4	Very low	25	Very low	102.8 Å²	102.8	140 Å²	140	72%	0.719	75%	0.747	S	S	*	*				-174.6	118.4	122.6	50.2	0	0	0	0	111.9	Q1507 K1511	Q1507-S1509 PolarHBondContact O-N 2.86Å; S1509-K1511 PolarHBondContact O-N 2.78Å
1510	I	26.5	Very low	25.1	Very low	144.4 Å²	144.4	134.5 Å²	134.5	74%	0.741	74%	0.742	S	S	*	*			trans	-64.2	117.3	133.3	-78.7	167.9	0	0	0	111	S1508 N1512 Y1513	S1508-I1510 PolarHBondContact O-N 3Å; I1510-N1512 VanDerWaalsContact C-N 3.35Å; I1510-N1512 PolarHBondContact O-N 2.99Å; I1510-Y1513 HydrophobicContact CG2-CE2 4.04Å
1511	K	28.3	Very low	25.2	Very low	175.6 Å²	175.6	137.6 Å²	137.6	76%	0.763	74%	0.744	S	S	*	*			trans	-29.5	125.2	139.9	-79.3	169.3	-177.3	177.3	0	111.7	S1509 Y1513	S1509-K1511 PolarHBondContact O-N 2.78Å; K1511-Y1513 PolarHBondContact O-N 2.89Å
1512	N	25.9	Very low	25.2	Very low	131.8 Å²	131.8	137.5 Å²	137.5	71%	0.705	74%	0.743	S	S	*	*			trans	44.3	115	135.6	-59.7	-1.8	0	0	0	114.9	I1510 F1514	I1510-N1512 VanDerWaalsContact C-N 3.35Å; I1510-N1512 PolarHBondContact O-N 2.99Å; N1512-F1514 HydrophobicContact CB-CD2 3.76Å; N1512-F1514 HydrophobicContact CB-CE2 3.69Å; N1512-F1514 PolarHBondContact O-N 2.92Å
1513	Y	24.1	Very low	25.3	Very low	193.8 Å²	193.8	137.1 Å²	137.1	76%	0.76	74%	0.74	S	S	*	*			trans	-39.2	124.8	158.8	-59.4	-76.7	0	0	0	111.8	E927 I1510 K1511 L1515	E927-Y1513 PolarHBondContact O-OH 3.37Å; I1510-Y1513 HydrophobicContact CG2-CE2 4.04Å; K1511-Y1513 PolarHBondContact O-N 2.89Å; Y1513-L1515 HydrophobicContact CD1-CD1 4.07Å; Y1513-L1515 HydrophobicContact CD1-CG 4.36Å; Y1513-L1515 HydrophobicContact CG-CD1 4.4Å; Y1513-L1515 PolarHBondContact O-N 2.75Å
1514	F	23.8	Very low	25.3	Very low	172.8 Å²	172.8	136.3 Å²	136.3	76%	0.758	74%	0.737	S	S	*	*				-108.7	131.2	91.7	-93.5	-76	0	0	0	108.9	N1512 S1516	N1512-F1514 HydrophobicContact CB-CD2 3.76Å; N1512-F1514 HydrophobicContact CB-CE2 3.69Å; N1512-F1514 PolarHBondContact O-N 2.92Å; F1514-S1516 PolarHBondContact O-N 3.47Å
1515	L	24.6	Very low	25.4	Very low	141.4 Å²	141.4	135 Å²	135	74%	0.74	73%	0.73	S	S	*	*			trans	-95.4	105.6	168.2	-75.6	166.4	0	0	0	111.5	Y1513 L1517	Y1513-L1515 HydrophobicContact CD1-CD1 4.07Å; Y1513-L1515 HydrophobicContact CD1-CG 4.36Å; Y1513-L1515 HydrophobicContact CG-CD1 4.4Å; Y1513-L1515 PolarHBondContact O-N 2.75Å; L1515-L1517 HydrophobicContact CD2-CG 4.48Å; L1515-L1517 PolarHBondContact O-N 3.34Å
1516	S	23.4	Very low	25.5	Very low	94.8 Å²	94.8	135.5 Å²	135.5	66%	0.663	73%	0.729	S	S	*	*			trans	-96.3	122.9	148.8	49.2	0	0	0	0	109.9	F1514 S1518	F1514-S1516 PolarHBondContact O-N 3.47Å; S1516-S1518 PolarHBondContact O-N 3.29Å; S1516-S1518 PolarHBondContact O-OG 3.15Å
1517	L	23.6	Very low	25.6	Very low	143.8 Å²	143.8	134.3 Å²	134.3	75%	0.753	73%	0.73	S	S	*	*			trans	-78	107.4	164.2	-69.7	168.2	0	0	0	111.4	L1515 C1519	L1515-L1517 HydrophobicContact CD2-CG 4.48Å; L1515-L1517 PolarHBondContact O-N 3.34Å; L1517-C1519 PolarHBondContact O-N 3.13Å
1518	S	24	Very low	25.8	Very low	106.6 Å²	106.6	133.3 Å²	133.3	75%	0.745	73%	0.728	S	S	*	*			trans	-117.2	123.4	164.7	4	0	0	0	0	109.2	S1516 P1520	S1516-S1518 PolarHBondContact O-N 3.29Å; S1516-S1518 PolarHBondContact O-OG 3.15Å; S1518-P1520 WeakPolarHBondContact O-CD 3.44Å
1519	C	22.7	Very low	25.8	Very low	113.4 Å²	113.4	134.4 Å²	134.4	77%	0.766	73%	0.726	S	S	*	*			trans	-74.6	142.6	175.3	-108.9	0	0	0	0	110.8	L1517 Q1521	L1517-C1519 PolarHBondContact O-N 3.13Å; C1519-Q1521 PolarHBondContact O-N 3.12Å
1520	P	26.9	Very low	25.7	Very low	120.2 Å²	120.2	135.4 Å²	135.4	78%	0.781	72%	0.723	S	S	*	*			trans	-89.8	127.1	160.9	32.2	-27.8	0	0	0	111.6	S1518 S1522	S1518-P1520 WeakPolarHBondContact O-CD 3.44Å; P1520-S1522 PolarHBondContact O-N 2.72Å
1521	Q	25.8	Very low	25.8	Very low	174.2 Å²	174.2	136.4 Å²	136.4	81%	0.814	73%	0.725	S	S	*	*			trans	-73.2	118	166.9	-138.4	134.3	1.2	0	0	112.8	C1519 I1523	C1519-Q1521 PolarHBondContact O-N 3.12Å; Q1521-I1523 HydrophobicContact CB-CD1 4.19Å; Q1521-I1523 HydrophobicContact CB-CG1 4.39Å
1522	S	25.7	Very low	25.8	Very low	97.2 Å²	97.2	134.9 Å²	134.9	68%	0.68	72%	0.724	S	S	*	*			trans	-141.6	137.4	143.5	56.9	0	0	0	0	111.9	P1520	P1520-S1522 PolarHBondContact O-N 2.72Å
1523	I	26.1	Very low	26	Very low	151 Å²	151	134.8 Å²	134.8	77%	0.774	72%	0.723	S	S	*	*				-152	132.7	84.2	-87.5	166.9	0	0	0	107	Q1521	Q1521-I1523 HydrophobicContact CB-CD1 4.19Å; Q1521-I1523 HydrophobicContact CB-CG1 4.39Å
1524	N	26.2	Very low	26.2	Very low	129.2 Å²	129.2	131.5 Å²	131.5	69%	0.691	72%	0.718	S	S	*	*			trans	37.3	141.3	164.8	-85.6	40.2	0	0	0	113
1525	D	27.2	Very low	26.4	Very low	118.2 Å²	118.2	129.3 Å²	129.3	63%	0.632	71%	0.714	S	S	*	*			cis	-136.3	152.1	-1	-102.8	-41.6	0	0	0	112.2
1526	Q	27.1	Very low	26.5	Very low	152.6 Å²	152.6	128.7 Å²	128.7	71%	0.713	71%	0.712	S	S	*	*			trans	62.8	120.9	141.1	-82.7	170.4	44.4	0	0	118.1
1527	S	27.6	Very low	26.6	Very low	96.4 Å²	96.4	133 Å²	133	67%	0.674	72%	0.715	S	S	*	*			trans	160	123.8	159.7	67	0	0	0	0	114.9
1528	I	28.7	Very low	26.8	Very low	138 Å²	138	132.1 Å²	132.1	71%	0.708	71%	0.71	S	S	*	*				-176.3	106.3	99.7	-70.2	169.7	0	0	0	112.9	K1576	I1528-K1576 VanDerWaalsContact C-CD 3.43Å; I1528-K1576 WeakPolarHBondContact O-CD 3.41Å; I1528-K1576 PolarHBondContact O-NZ 3.38Å
1529	N	26	Very low	27	Very low	123.4 Å²	123.4	133 Å²	133	66%	0.66	71%	0.711	S	S	*	*			trans	-70.1	140.3	130.4	-85.8	-31.4	0	0	0	114.6	K1576	N1529-K1576 PolarHBondContact O-NZ 3.27Å
1530	N	26.2	Very low	27.1	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	72%	0.715	S	S	*	*				110.9	129.8	109.6	-79.7	-31.8	0	0	0	115.5
1531	Q	28.3	Very low	27	Very low	165 Å²	165	134.4 Å²	134.4	77%	0.771	71%	0.712	S	S	*	*			trans	105.2	113.1	145.9	-86.8	163.5	14.3	0	0	116.5
1532	L	28.4	Very low	27	Very low	145.2 Å²	145.2	134.8 Å²	134.8	76%	0.76	71%	0.714	S	S	*	*				-146.1	128.8	69.1	-90.6	161.9	0	0	0	110.5
1533	I	28.9	Very low	27	Very low	130.4 Å²	130.4	134.6 Å²	134.6	67%	0.669	71%	0.713	S	S	*	*				-148.2	137.7	87.3	-99.6	172.1	0	0	0	109.2
1534	N	28	Very low	26.9	Very low	123.6 Å²	123.6	132.1 Å²	132.1	66%	0.661	71%	0.709	S	S	*	*			trans	51.8	144.3	156.6	-67.2	14.6	0	0	0	114.8
1535	D	29.2	Very low	26.9	Very low	127.6 Å²	127.6	132.4 Å²	132.4	68%	0.682	71%	0.71	S	S	*	*			cis	-150.1	143.7	17.1	-85.1	-40.4	0	0	0	108.5	Y1537	D1535-Y1537 PolarHBondContact O-N 3.33Å
1536	N	27.3	Very low	26.8	Very low	127.4 Å²	127.4	134.4 Å²	134.4	68%	0.681	71%	0.714	S	S	*	*				-167.2	132.8	97.6	-76.1	-50.3	0	0	0	113.8
1537	Y	25.5	Very low	26.7	Very low	185.6 Å²	185.6	131.4 Å²	131.4	73%	0.728	71%	0.71	S	S	*	*			trans	-74.8	133.8	161.1	-66.8	-87.7	0	0	0	111.9	D1535 T1539 F1546 H1573	D1535-Y1537 PolarHBondContact O-N 3.33Å; Y1537-T1539 PolarHBondContact O-N 3.11Å; Y1537-F1546 HydrophobicContact CE1-CZ 4.42Å; Y1537-H1573 PolarHBondContact OH-NE2 2.85Å
1538	D	26.1	Very low	26.6	Very low	124.4 Å²	124.4	132.4 Å²	132.4	67%	0.665	71%	0.706	S	S	*	*				-145.7	109.6	101.7	-112	-28.3	0	0	0	112.3	K1364 K1464	K1364-D1538 WeakPolarHBondContact CE-OD2 3.46Å; K1364-D1538 IonicContact NZ-OD1 2.76Å; K1364-D1538 PolarHBondContact NZ-OD1 3.25Å; K1364-D1538 IonicContact NZ-OD2 2.74Å; K1364-D1538 PolarHBondContact NZ-OD2 3.07Å; K1464-D1538 IonicContact NZ-OD2 2.62Å; K1464-D1538 PolarHBondContact NZ-OD2 3.14Å
1539	T	28.1	Very low	26.4	Very low	125 Å²	125	132.6 Å²	132.6	77%	0.767	70%	0.704	S	S	*	*			trans	149.9	114.6	142.2	43.3	0	0	0	0	113.1	Y1537 S1541	Y1537-T1539 PolarHBondContact O-N 3.11Å; T1539-S1541 PolarHBondContact O-N 3.25Å
1540	L	25	Very low	26.4	Very low	160.4 Å²	160.4	131.7 Å²	131.7	84%	0.84	70%	0.698	S	S	*	*			trans	-113.1	132.8	133.2	-81.9	154.2	0	0	0	109
1541	S	25.5	Very low	26.4	Very low	103.6 Å²	103.6	130.4 Å²	130.4	72%	0.724	70%	0.696	S	S	*	*			trans	-73.2	129.8	150.9	127	0	0	0	0	114.3	T1539 S1543	T1539-S1541 PolarHBondContact O-N 3.25Å; S1541-S1543 PolarHBondContact O-N 2.9Å
1542	E	25.6	Very low	26.3	Very low	183.2 Å²	183.2	127.8 Å²	127.8	86%	0.856	69%	0.686	S	S	*	*			trans	-8.7	102.2	158.5	-69.2	178.3	144.9	0	0	113.8
1543	S	25.3	Very low	26.2	Very low	92.8 Å²	92.8	125.7 Å²	125.7	65%	0.649	68%	0.679	S	S	*	*			trans	107.3	89.8	145.6	60.9	0	0	0	0	115.7	S1541 N1545	S1541-S1543 PolarHBondContact O-N 2.9Å; S1543-N1545 PolarHBondContact O-N 2.99Å; S1543-N1545 VanDerWaalsContact O-N 3.1Å; S1543-N1545 PolarHBondContact O-ND2 2.88Å
1544	S	25.4	Very low	26.1	Very low	98.4 Å²	98.4	125.4 Å²	125.4	69%	0.688	68%	0.679	S	S	*	*			trans	-92.2	108.3	158	56.7	0	0	0	0	113	F1546	S1544-F1546 VanDerWaalsContact C-N 3.29Å; S1544-F1546 PolarHBondContact O-N 3.12Å
1545	N	25.9	Very low	26	Very low	135.6 Å²	135.6	123.7 Å²	123.7	73%	0.725	68%	0.677	S	S	*	*			trans	-84.7	114.9	165	-75.6	-30.2	0	0	0	110.1	S1543 S1547 K1572	S1543-N1545 PolarHBondContact O-N 2.99Å; S1543-N1545 VanDerWaalsContact O-N 3.1Å; S1543-N1545 PolarHBondContact O-ND2 2.88Å; N1545-S1547 VanDerWaalsContact C-N 3.32Å; N1545-S1547 PolarHBondContact O-N 3.3Å; N1545-K1572 PolarHBondContact OD1-NZ 3.17Å
1546	F	24.1	Very low	26	Very low	160.8 Å²	160.8	123.7 Å²	123.7	71%	0.705	68%	0.676	S	S	*	*			trans	-62	111.3	172.4	-98.9	-93.4	0	0	0	110.3	L1248 D1249 N1250 Y1537 S1544 I1548	L1248-F1546 VanDerWaalsContact C-CB 3.46Å; L1248-F1546 WeakPolarHBondContact O-CB 3.32Å; D1249-F1546 HydrophobicContact CB-CD2 3.97Å; D1249-F1546 HydrophobicContact CB-CE1 4.45Å; D1249-F1546 HydrophobicContact CB-CE2 3.37Å; D1249-F1546 HydrophobicContact CB-CZ 3.64Å; D1249-F1546 VanDerWaalsContact N-CD2 3.32Å; D1249-F1546 WeakPolarHBondContact O-CD1 3.35Å; D1249-F1546 WeakPolarHBondContact O-CD2 3.36Å; D1249-F1546 WeakPolarHBondContact O-CE1 3.35Å; D1249-F1546 WeakPolarHBondContact O-CE2 3.16Å; D1249-F1546 WeakPolarHBondContact O-CG 3.26Å; D1249-F1546 WeakPolarHBondContact O-CZ 3.4Å; N1250-F1546 HydrophobicContact CB-CD1 3.84Å; N1250-F1546 HydrophobicContact CB-CE1 2.93Å; N1250-F1546 HydrophobicContact CB-CE2 4.12Å; N1250-F1546 HydrophobicContact CB-CZ 3.15Å; N1250-F1546 WeakPolarHBondContact ND2-CZ 3.47Å; N1250-F1546 WeakPolarHBondContact O-CD1 3.13Å; Y1537-F1546 HydrophobicContact CE1-CZ 4.42Å; S1544-F1546 VanDerWaalsContact C-N 3.29Å; S1544-F1546 PolarHBondContact O-N 3.12Å; F1546-I1548 HydrophobicContact CB-CG1 4.4Å; F1546-I1548 HydrophobicContact CD1-CD1 3.98Å; F1546-I1548 HydrophobicContact CD1-CG1 3.93Å; F1546-I1548 PolarHBondContact O-N 3.34Å; F1546-I1548 VanDerWaalsContact O-N 3.16Å
1547	S	25.4	Very low	26.1	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	68%	0.679	S	S	*	*			trans	-100.7	107.9	171.1	-178.1	0	0	0	0	109.5	N1545 H1549	N1545-S1547 VanDerWaalsContact C-N 3.32Å; N1545-S1547 PolarHBondContact O-N 3.3Å; S1547-H1549 PolarHBondContact O-N 3.02Å; S1547-H1549 PolarHBondContact OG-CD2 2.8Å
1548	I	25.4	Very low	26.3	Very low	116.6 Å²	116.6	123 Å²	123	60%	0.598	68%	0.679	S	S	*	*			trans	-95.3	97.2	179.2	-72.7	178	0	0	0	107.4	F1546 I1550 I1567 N1570 N1571	F1546-I1548 HydrophobicContact CB-CG1 4.4Å; F1546-I1548 HydrophobicContact CD1-CD1 3.98Å; F1546-I1548 HydrophobicContact CD1-CG1 3.93Å; F1546-I1548 PolarHBondContact O-N 3.34Å; F1546-I1548 VanDerWaalsContact O-N 3.16Å; I1548-I1550 HydrophobicContact CG2-CB 4.36Å; I1548-I1550 HydrophobicContact CG2-CD1 3.56Å; I1548-I1550 HydrophobicContact CG2-CG1 4.12Å; I1548-I1550 PolarHBondContact O-N 3.02Å; I1548-I1567 HydrophobicContact CD1-CG2 4.15Å; I1548-N1570 HydrophobicContact CD1-CB 4.34Å; I1548-N1570 HydrophobicContact CG2-CB 3.84Å; I1548-N1571 WeakPolarHBondContact CB-OD1 3.31Å; I1548-N1571 WeakPolarHBondContact CG1-ND2 3.29Å; I1548-N1571 VanDerWaalsContact CG1-OD1 3.25Å; I1548-N1571 WeakPolarHBondContact CG1-OD1 3.34Å; I1548-N1571 VanDerWaalsContact CG2-OD1 3.23Å; I1548-N1571 WeakPolarHBondContact CG2-OD1 3.11Å
1549	H	24.8	Very low	26.4	Very low	143.4 Å²	143.4	125 Å²	125	66%	0.664	69%	0.685	S	S	*	*			trans	-84.3	107.5	162.4	-111.3	-68.3	0	0	0	109.8	S1547 P1551 N1571 H1573 L1574	S1547-H1549 PolarHBondContact O-N 3.02Å; S1547-H1549 PolarHBondContact OG-CD2 2.8Å; H1549-P1551 WeakPolarHBondContact O-CD 3.39Å; H1549-N1571 WeakPolarHBondContact CA-OD1 3.14Å; H1549-N1571 PolarHBondContact N-OD1 3.41Å; H1549-H1573 AromaticContact CE1-CD2 3.12Å; H1549-H1573 PolarHBondContact CE1-CD2 2.85Å; H1549-H1573 AromaticContact CE1-CE1 3.58Å; H1549-H1573 AromaticContact CE1-CG 3.17Å; H1549-H1573 PolarHBondContact CE1-N 3.06Å; H1549-H1573 AromaticContact CE1-ND1 3.51Å; H1549-H1573 AromaticContact CE1-NE2 3.38Å; H1549-H1573 PolarHBondContact CE1-NE2 2.99Å; H1549-H1573 VanDerWaalsContact NE2-C 3.3Å; H1549-H1573 VanDerWaalsContact NE2-CA 3.3Å; H1549-H1573 WeakPolarHBondContact NE2-CA 3.08Å; H1549-H1573 WeakPolarHBondContact NE2-CB 3.26Å; H1549-H1573 AromaticContact NE2-CD2 3.01Å; H1549-H1573 PolarHBondContact NE2-CD2 3.1Å; H1549-H1573 AromaticContact NE2-CG 3.06Å; H1549-H1573 PolarHBondContact NE2-N 3.37Å; H1549-H1573 AromaticContact NE2-ND1 3.88Å; H1549-H1573 AromaticContact NE2-NE2 3.78Å; H1549-L1574 HydrophobicContact CB-CB 3.89Å; H1549-L1574 HydrophobicContact CB-CD1 3.89Å; H1549-L1574 HydrophobicContact CB-CG 3.88Å; H1549-L1574 VanDerWaalsContact CD2-CB 3.41Å; H1549-L1574 WeakPolarHBondContact CD2-CB 3.26Å; H1549-L1574 PolarHBondContact CD2-N 2.95Å; H1549-L1574 VanDerWaalsContact CD2-N 3.29Å; H1549-L1574 PolarHBondContact NE2-N 2.85Å
1550	I	25.8	Very low	26.8	Very low	104 Å²	104	125 Å²	125	53%	0.533	69%	0.685	S	S	.	*			trans	-75.5	114.6	175.3	-52.7	177.4	0	0	0	108.6	I1548 I1552 N1571 K1572 H1573 L1574 W1575 K1576	I1548-I1550 HydrophobicContact CG2-CB 4.36Å; I1548-I1550 HydrophobicContact CG2-CD1 3.56Å; I1548-I1550 HydrophobicContact CG2-CG1 4.12Å; I1548-I1550 PolarHBondContact O-N 3.02Å; I1550-I1552 VanDerWaalsContact C-N 3.34Å; I1550-I1552 HydrophobicContact CB-CG1 4.46Å; I1550-I1552 HydrophobicContact CG2-CG1 4.03Å; I1550-I1552 PolarHBondContact O-N 3.26Å; I1550-I1552 VanDerWaalsContact O-N 3.15Å; I1550-N1571 VanDerWaalsContact CA-CG 3.43Å; I1550-N1571 WeakPolarHBondContact CA-OD1 3.11Å; I1550-N1571 HydrophobicContact CB-CB 3.95Å; I1550-N1571 HydrophobicContact CG1-CB 4.14Å; I1550-N1571 HydrophobicContact CG2-CB 3.76Å; I1550-N1571 PolarHBondContact N-OD1 3.14Å; I1550-K1572 VanDerWaalsContact CD1-C 3.43Å; I1550-H1573 VanDerWaalsContact CD1-N 3.27Å; I1550-L1574 HydrophobicContact CB-CB 4.38Å; I1550-L1574 HydrophobicContact CG1-CB 3.89Å; I1550-L1574 VanDerWaalsContact CG1-N 3.29Å; I1550-W1575 HydrophobicContact CB-CB 3.79Å; I1550-W1575 VanDerWaalsContact CB-CD1 3.45Å; I1550-W1575 HydrophobicContact CB-CD2 4.39Å; I1550-W1575 HydrophobicContact CB-CG 3.51Å; I1550-W1575 HydrophobicContact CD1-CB 3.91Å; I1550-W1575 HydrophobicContact CG1-CB 4.3Å; I1550-W1575 VanDerWaalsContact CG1-N 3.29Å; I1550-W1575 HydrophobicContact CG2-CB 3.92Å; I1550-W1575 HydrophobicContact CG2-CG 3.58Å; I1550-W1575 PolarHBondContact O-NE1 3.42Å; I1550-K1576 HydrophobicContact CD1-CB 4.47Å
1551	P	26.7	Very low	27.2	Very low	95.6 Å²	95.6	124.2 Å²	124.2	62%	0.621	68%	0.682	S	S	*	*			trans	-73.9	129	163.3	11.5	-9	0	0	0	110.6	H1549 T1553 N1571 W1575	H1549-P1551 WeakPolarHBondContact O-CD 3.39Å; P1551-T1553 VanDerWaalsContact C-N 3.33Å; P1551-T1553 HydrophobicContact CB-CG2 4.19Å; P1551-T1553 PolarHBondContact O-N 3.28Å; P1551-T1553 VanDerWaalsContact O-N 3.09Å; P1551-N1571 WeakPolarHBondContact O-CB 3.48Å; P1551-N1571 PolarHBondContact O-ND2 2.69Å; P1551-W1575 VanDerWaalsContact CA-NE1 3.27Å
1552	I	26.6	Very low	27.5	Very low	111.4 Å²	111.4	126.6 Å²	126.6	57%	0.571	68%	0.679	S	S	*	*			trans	-36.2	84.3	168	-49.8	176	0	0	0	109	I1550 N1554 Y1568 W1575 Y1583 I1584 L1587	I1550-I1552 VanDerWaalsContact C-N 3.34Å; I1550-I1552 HydrophobicContact CB-CG1 4.46Å; I1550-I1552 HydrophobicContact CG2-CG1 4.03Å; I1550-I1552 PolarHBondContact O-N 3.26Å; I1550-I1552 VanDerWaalsContact O-N 3.15Å; I1552-N1554 PolarHBondContact O-N 3.39Å; I1552-N1554 VanDerWaalsContact O-N 3.11Å; I1552-Y1568 HydrophobicContact CD1-CE1 3.98Å; I1552-Y1568 HydrophobicContact CG1-CD1 4.45Å; I1552-Y1568 HydrophobicContact CG1-CE1 3.91Å; I1552-W1575 VanDerWaalsContact CD1-CD1 3.46Å; I1552-Y1583 HydrophobicContact CG2-CD1 3.85Å; I1552-Y1583 HydrophobicContact CG2-CE1 4.13Å; I1552-I1584 HydrophobicContact CD1-CD1 3.83Å; I1552-I1584 HydrophobicContact CD1-CG1 3.52Å; I1552-L1587 HydrophobicContact CG2-CD1 3.59Å
1553	T	25.6	Very low	27.9	Very low	100 Å²	100	122.3 Å²	122.3	61%	0.613	66%	0.662	S	S	*	*			trans	-31.6	118	134.7	56.4	0	0	0	0	110.8	P1551 S1555 I1567	P1551-T1553 VanDerWaalsContact C-N 3.33Å; P1551-T1553 HydrophobicContact CB-CG2 4.19Å; P1551-T1553 PolarHBondContact O-N 3.28Å; P1551-T1553 VanDerWaalsContact O-N 3.09Å; T1553-S1555 PolarHBondContact O-N 2.91Å; T1553-S1555 VanDerWaalsContact O-N 3.1Å; T1553-I1567 HydrophobicContact CG2-CD1 4Å; T1553-I1567 HydrophobicContact CG2-CG2 4.02Å; T1553-I1567 VanDerWaalsContact OG1-CG2 3.28Å; T1553-I1567 WeakPolarHBondContact OG1-CG2 3.48Å
1554	N	27.2	Very low	28.3	Very low	124.4 Å²	124.4	124.4 Å²	124.4	67%	0.665	66%	0.659	S	S	*	*			trans	-101.2	93.5	157.9	-75.1	-19.2	0	0	0	111.5	I1552 I1556 N1563 F1564 Y1568	I1552-N1554 PolarHBondContact O-N 3.39Å; I1552-N1554 VanDerWaalsContact O-N 3.11Å; N1554-I1556 PolarHBondContact O-N 3.16Å; N1554-N1563 CarbonylContact O-C 3.46Å; N1554-N1563 VanDerWaalsContact O-C 3.24Å; N1554-F1564 HydrophobicContact CB-CB 3.53Å; N1554-F1564 HydrophobicContact CB-CD1 3.63Å; N1554-F1564 HydrophobicContact CB-CG 4.05Å; N1554-F1564 PolarHBondContact O-N 3.44Å; N1554-F1564 VanDerWaalsContact O-N 3.17Å; N1554-Y1568 WeakPolarHBondContact ND2-CD2 3.36Å; N1554-Y1568 WeakPolarHBondContact ND2-CE2 3.27Å
1555	S	26.2	Very low	29.1	Very low	88.4 Å²	88.4	126.7 Å²	126.7	62%	0.618	66%	0.657	S	S	*	*			trans	-100.4	116.1	171.9	65.8	0	0	0	0	110.3	T1553 E1557 F1562 F1564	T1553-S1555 PolarHBondContact O-N 2.91Å; T1553-S1555 VanDerWaalsContact O-N 3.1Å; S1555-E1557 PolarHBondContact O-N 3.16Å; S1555-E1557 VanDerWaalsContact O-N 3.13Å; S1555-E1557 WeakPolarHBondContact OG-CG 3.38Å; S1555-F1562 CarbonylContact C-O 3.43Å; S1555-F1564 VanDerWaalsContact C-CA 3.46Å; S1555-F1564 VanDerWaalsContact O-CB 3.31Å; S1555-F1564 WeakPolarHBondContact O-CB 3.4Å; S1555-F1564 WeakPolarHBondContact O-CD1 3.45Å; S1555-F1564 WeakPolarHBondContact O-CG 3.24Å
1556	I	29	Very low	29.8	Very low	128.2 Å²	128.2	126.3 Å²	126.3	66%	0.657	65%	0.649	S	S	*	*			trans	-68	117.7	169.5	-27.9	156.4	0	0	0	109.8	N1554 E1559 F1562 N1563 F1564 K1565	N1554-I1556 PolarHBondContact O-N 3.16Å; I1556-E1559 VanDerWaalsContact CG2-CD 3.45Å; I1556-E1559 HydrophobicContact CG2-CG 3.7Å; I1556-E1559 WeakPolarHBondContact CG2-OE2 3.37Å; I1556-F1562 WeakPolarHBondContact CA-O 3.11Å; I1556-F1562 WeakPolarHBondContact CB-O 3.43Å; I1556-F1562 VanDerWaalsContact CG2-C 3.44Å; I1556-F1562 WeakPolarHBondContact CG2-O 3.27Å; I1556-F1562 PolarHBondContact N-O 3.47Å; I1556-N1563 HydrophobicContact CB-CB 3.93Å; I1556-N1563 VanDerWaalsContact CG1-CA 3.44Å; I1556-N1563 HydrophobicContact CG1-CB 3.29Å; I1556-N1563 HydrophobicContact CG2-CB 3.72Å; I1556-F1564 HydrophobicContact CD1-CD2 4.27Å; I1556-F1564 WeakPolarHBondContact O-CD2 3.26Å; I1556-F1564 VanDerWaalsContact O-CE2 3.28Å; I1556-F1564 WeakPolarHBondContact O-CE2 3.42Å; I1556-F1564 WeakPolarHBondContact O-CG 3.43Å; I1556-K1565 HydrophobicContact CD1-CB 3.82Å; I1556-K1565 HydrophobicContact CD1-CD 3.95Å; I1556-K1565 HydrophobicContact CD1-CG 3.65Å
1557	E	29	Very low	30.4	Very low	161 Å²	161	122 Å²	122	75%	0.752	63%	0.633	S	S	*	*				-110.9	141.1	127.9	-81.8	140	-168.8	0	0	110.7	S1555 K1565	S1555-E1557 PolarHBondContact O-N 3.16Å; S1555-E1557 VanDerWaalsContact O-N 3.13Å; S1555-E1557 WeakPolarHBondContact OG-CG 3.38Å; E1557-K1565 IonicContact OE1-NZ 2.69Å; E1557-K1565 PolarHBondContact OE1-NZ 2.91Å; E1557-K1565 IonicContact OE2-NZ 2.78Å; E1557-K1565 PolarHBondContact OE2-NZ 2.74Å
1558	D	30.4	Very low	31.1	Very low	136.2 Å²	136.2	123.6 Å²	123.6	73%	0.728	63%	0.626	S	S	*	*				170.5	125.1	127.6	-102.4	-11.5	0	0	0	113.1	N1221 T1560 N1561	N1221-D1558 PolarHBondContact ND2-O 2.74Å; N1221-D1558 PolarHBondContact ND2-OD2 3.05Å; D1558-T1560 PolarHBondContact O-N 3.02Å; D1558-N1561 PolarHBondContact N-ND2 2.82Å; D1558-N1561 PolarHBondContact N-O 3.1Å; D1558-N1561 CarbonylContact O-C 2.78Å; D1558-N1561 WeakPolarHBondContact O-CA 3.11Å; D1558-N1561 WeakPolarHBondContact O-CB 3.17Å; D1558-N1561 PolarHBondContact O-N 3.4Å; D1558-N1561 PolarHBondContact O-ND2 2.77Å
1559	E	28	Very low	32.1	Very low	168 Å²	168	121.5 Å²	121.5	79%	0.785	62%	0.618	S	S	*	*			trans	-75.5	80.1	-172	-71.5	-159	147.5	0	0	112.2	I1556 N1561 F1562 N1563	I1556-E1559 VanDerWaalsContact CG2-CD 3.45Å; I1556-E1559 HydrophobicContact CG2-CG 3.7Å; I1556-E1559 WeakPolarHBondContact CG2-OE2 3.37Å; E1559-N1561 VanDerWaalsContact C-N 3.26Å; E1559-N1561 PolarHBondContact O-N 2.94Å; E1559-N1561 VanDerWaalsContact O-N 3.13Å; E1559-F1562 WeakPolarHBondContact O-CA 3.21Å; E1559-F1562 PolarHBondContact O-N 3.11Å; E1559-N1563 WeakPolarHBondContact OE2-CB 3.47Å; E1559-N1563 PolarHBondContact OE2-ND2 2.96Å
1560	T	35.4	Very low	32.8	Very low	124.2 Å²	124.2	119.1 Å²	119.1	76%	0.762	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.8	112.4	146.3	26.5	0	0	0	0	112.2	D1558 F1562	D1558-T1560 PolarHBondContact O-N 3.02Å; T1560-F1562 PolarHBondContact O-N 3.28Å
1561	N	33.1	Very low	33.3	Very low	144.4 Å²	144.4	116.6 Å²	116.6	77%	0.772	60%	0.598	S	S	*	*			trans	63.6	44.9	175.9	-105.8	-32.1	0	0	0	116.6	N1221 D1558 E1559 N1563	N1221-N1561 HydrophobicContact CB-CB 4.11Å; D1558-N1561 PolarHBondContact N-ND2 2.82Å; D1558-N1561 PolarHBondContact N-O 3.1Å; D1558-N1561 CarbonylContact O-C 2.78Å; D1558-N1561 WeakPolarHBondContact O-CA 3.11Å; D1558-N1561 WeakPolarHBondContact O-CB 3.17Å; D1558-N1561 PolarHBondContact O-N 3.4Å; D1558-N1561 PolarHBondContact O-ND2 2.77Å; E1559-N1561 VanDerWaalsContact C-N 3.26Å; E1559-N1561 PolarHBondContact O-N 2.94Å; E1559-N1561 VanDerWaalsContact O-N 3.13Å; N1561-N1563 VanDerWaalsContact C-N 3.25Å; N1561-N1563 PolarHBondContact O-N 2.94Å
1562	F	32.8	Very low	34.1	Very low	153.2 Å²	153.2	117.4 Å²	117.4	67%	0.672	59%	0.592	S	S	*	*			trans	-71.1	102.5	163.9	-111	-86	0	0	0	114.4	S1555 I1556 E1559 T1560 F1564 I1567	S1555-F1562 CarbonylContact C-O 3.43Å; I1556-F1562 WeakPolarHBondContact CA-O 3.11Å; I1556-F1562 WeakPolarHBondContact CB-O 3.43Å; I1556-F1562 VanDerWaalsContact CG2-C 3.44Å; I1556-F1562 WeakPolarHBondContact CG2-O 3.27Å; I1556-F1562 PolarHBondContact N-O 3.47Å; E1559-F1562 WeakPolarHBondContact O-CA 3.21Å; E1559-F1562 PolarHBondContact O-N 3.11Å; T1560-F1562 PolarHBondContact O-N 3.28Å; F1562-F1564 HydrophobicContact CB-CD2 4.18Å; F1562-F1564 HydrophobicContact CB-CE2 4.12Å; F1562-F1564 HydrophobicContact CD1-CE2 4.49Å; F1562-F1564 WeakPolarHBondContact O-CD2 3.45Å; F1562-F1564 PolarHBondContact O-N 3.22Å; F1562-I1567 HydrophobicContact CD1-CD1 4.08Å; F1562-I1567 HydrophobicContact CE1-CD1 4.12Å
1563	N	34.3	Very low	35	Very low	93.6 Å²	93.6	117 Å²	117	50%	0.501	59%	0.588	S	S	.	*			trans	-87.4	88.4	-173.8	-171.5	-18.7	0	0	0	112.9	N1554 I1556 E1559 N1561 K1565 K1566	N1554-N1563 CarbonylContact O-C 3.46Å; N1554-N1563 VanDerWaalsContact O-C 3.24Å; I1556-N1563 HydrophobicContact CB-CB 3.93Å; I1556-N1563 VanDerWaalsContact CG1-CA 3.44Å; I1556-N1563 HydrophobicContact CG1-CB 3.29Å; I1556-N1563 HydrophobicContact CG2-CB 3.72Å; E1559-N1563 WeakPolarHBondContact OE2-CB 3.47Å; E1559-N1563 PolarHBondContact OE2-ND2 2.96Å; N1561-N1563 VanDerWaalsContact C-N 3.25Å; N1561-N1563 PolarHBondContact O-N 2.94Å; N1563-K1565 PolarHBondContact O-N 3.26Å; N1563-K1565 VanDerWaalsContact O-N 3.16Å; N1563-K1565 VanDerWaalsContact OD1-CB 3.29Å; N1563-K1565 WeakPolarHBondContact OD1-CB 3.29Å; N1563-K1565 PolarHBondContact OD1-N 3.04Å; N1563-K1566 HydrophobicContact CB-CB 4.49Å; N1563-K1566 WeakPolarHBondContact O-CB 3.43Å; N1563-K1566 PolarHBondContact O-N 3.01Å; N1563-K1566 PolarHBondContact OD1-N 3.06Å
1564	F	33.8	Very low	35.9	Very low	135.4 Å²	135.4	116.8 Å²	116.8	59%	0.594	58%	0.582	S	S	*	*	H	α-helix	trans	-41.6	-46.7	177.9	-97	-98.1	0	0	0	113.4	N1554 S1555 I1556 F1562 K1566 I1567 Y1568	N1554-F1564 HydrophobicContact CB-CB 3.53Å; N1554-F1564 HydrophobicContact CB-CD1 3.63Å; N1554-F1564 HydrophobicContact CB-CG 4.05Å; N1554-F1564 PolarHBondContact O-N 3.44Å; N1554-F1564 VanDerWaalsContact O-N 3.17Å; S1555-F1564 VanDerWaalsContact C-CA 3.46Å; S1555-F1564 VanDerWaalsContact O-CB 3.31Å; S1555-F1564 WeakPolarHBondContact O-CB 3.4Å; S1555-F1564 WeakPolarHBondContact O-CD1 3.45Å; S1555-F1564 WeakPolarHBondContact O-CG 3.24Å; I1556-F1564 HydrophobicContact CD1-CD2 4.27Å; I1556-F1564 WeakPolarHBondContact O-CD2 3.26Å; I1556-F1564 VanDerWaalsContact O-CE2 3.28Å; I1556-F1564 WeakPolarHBondContact O-CE2 3.42Å; I1556-F1564 WeakPolarHBondContact O-CG 3.43Å; F1562-F1564 HydrophobicContact CB-CD2 4.18Å; F1562-F1564 HydrophobicContact CB-CE2 4.12Å; F1562-F1564 HydrophobicContact CD1-CE2 4.49Å; F1562-F1564 WeakPolarHBondContact O-CD2 3.45Å; F1562-F1564 PolarHBondContact O-N 3.22Å; F1564-K1566 VanDerWaalsContact C-N 3.28Å; F1564-K1566 CarbonylContact O-C 3.56Å; F1564-K1566 PolarHBondContact O-N 3.3Å; F1564-K1566 VanDerWaalsContact O-N 3.14Å; F1564-I1567 PolarHBondContact O-N 2.99Å; F1564-I1567 VanDerWaalsContact O-N 3.1Å; F1564-Y1568 WeakPolarHBondContact O-CB 3.31Å; F1564-Y1568 PolarHBondContact O-N 3.17Å
1565	K	41.2	Very low	36.4	Very low	148.2 Å²	148.2	116.3 Å²	116.3	64%	0.644	57%	0.571	S	S	*	*	H	α-helix	trans	-54.2	-33.1	-175.3	-140	168.3	-173	155.7	0	112.4	I1556 E1557 N1563 Y1568 T1569	I1556-K1565 HydrophobicContact CD1-CB 3.82Å; I1556-K1565 HydrophobicContact CD1-CD 3.95Å; I1556-K1565 HydrophobicContact CD1-CG 3.65Å; E1557-K1565 IonicContact OE1-NZ 2.69Å; E1557-K1565 PolarHBondContact OE1-NZ 2.91Å; E1557-K1565 IonicContact OE2-NZ 2.78Å; E1557-K1565 PolarHBondContact OE2-NZ 2.74Å; N1563-K1565 PolarHBondContact O-N 3.26Å; N1563-K1565 VanDerWaalsContact O-N 3.16Å; N1563-K1565 VanDerWaalsContact OD1-CB 3.29Å; N1563-K1565 WeakPolarHBondContact OD1-CB 3.29Å; N1563-K1565 PolarHBondContact OD1-N 3.04Å; K1565-Y1568 PolarHBondContact O-N 2.98Å; K1565-T1569 WeakPolarHBondContact O-CB 3.45Å; K1565-T1569 VanDerWaalsContact O-CG2 3.28Å; K1565-T1569 WeakPolarHBondContact O-CG2 3.36Å; K1565-T1569 PolarHBondContact O-N 2.9Å; K1565-T1569 PolarHBondContact O-OG1 3.19Å
1566	K	40	Very low	37.2	Very low	125.4 Å²	125.4	118.6 Å²	118.6	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-72.2	-35.1	178.8	-144.7	176.2	179.1	-177.9	0	114.2	N1251 Y1252 N1563 F1564 T1569 N1570	N1251-K1566 CarbonylContact C-O 3.59Å; N1251-K1566 WeakPolarHBondContact CA-O 3.35Å; N1251-K1566 HydrophobicContact CB-CB 4.04Å; N1251-K1566 HydrophobicContact CB-CD 3.96Å; N1251-K1566 HydrophobicContact CB-CG 3.96Å; N1251-K1566 PolarHBondContact ND2-NZ 2.96Å; N1251-K1566 WeakPolarHBondContact OD1-CB 3.19Å; Y1252-K1566 VanDerWaalsContact CE1-CE 3.46Å; Y1252-K1566 PolarHBondContact N-O 3.45Å; Y1252-K1566 WeakPolarHBondContact OH-CE 3.12Å; Y1252-K1566 PolarHBondContact OH-NZ 3.09Å; Y1252-K1566 VanDerWaalsContact OH-NZ 3.15Å; N1563-K1566 HydrophobicContact CB-CB 4.49Å; N1563-K1566 WeakPolarHBondContact O-CB 3.43Å; N1563-K1566 PolarHBondContact O-N 3.01Å; N1563-K1566 PolarHBondContact OD1-N 3.06Å; F1564-K1566 VanDerWaalsContact C-N 3.28Å; F1564-K1566 CarbonylContact O-C 3.56Å; F1564-K1566 PolarHBondContact O-N 3.3Å; F1564-K1566 VanDerWaalsContact O-N 3.14Å; K1566-T1569 WeakPolarHBondContact CA-OG1 3.34Å; K1566-T1569 PolarHBondContact O-OG1 3Å; K1566-N1570 WeakPolarHBondContact O-CB 3.42Å; K1566-N1570 VanDerWaalsContact O-CG 3.24Å; K1566-N1570 PolarHBondContact O-N 3.07Å; K1566-N1570 VanDerWaalsContact O-N 3.14Å; K1566-N1570 PolarHBondContact O-ND2 2.98Å; K1566-N1570 PolarHBondContact O-OD1 2.89Å
1567	I	38.5	Very low	37.8	Very low	71.8 Å²	71.8	116.2 Å²	116.2	37%	0.368	57%	0.565	S	S	.	*	H	α-helix	trans	-74.6	-44.3	177.7	-59.9	176.6	0	0	0	109.9	I1548 T1553 F1562 F1564 T1569 N1570 N1571	I1548-I1567 HydrophobicContact CD1-CG2 4.15Å; T1553-I1567 HydrophobicContact CG2-CD1 4Å; T1553-I1567 HydrophobicContact CG2-CG2 4.02Å; T1553-I1567 VanDerWaalsContact OG1-CG2 3.28Å; T1553-I1567 WeakPolarHBondContact OG1-CG2 3.48Å; F1562-I1567 HydrophobicContact CD1-CD1 4.08Å; F1562-I1567 HydrophobicContact CE1-CD1 4.12Å; F1564-I1567 PolarHBondContact O-N 2.99Å; F1564-I1567 VanDerWaalsContact O-N 3.1Å; I1567-T1569 VanDerWaalsContact C-N 3.33Å; I1567-T1569 PolarHBondContact O-N 3.24Å; I1567-N1570 PolarHBondContact O-N 3.25Å; I1567-N1571 WeakPolarHBondContact CG2-ND2 3.43Å; I1567-N1571 VanDerWaalsContact O-CB 3.29Å; I1567-N1571 WeakPolarHBondContact O-CB 3.35Å; I1567-N1571 PolarHBondContact O-N 3.21Å; I1567-N1571 VanDerWaalsContact O-N 3.1Å
1568	Y	38.7	Very low	38.2	Very low	122.4 Å²	122.4	113.9 Å²	113.9	48%	0.48	56%	0.557	S	S	.	*	H	α-helix	trans	-64	-30.1	179.5	-140.5	-79.3	0	0	0	113.4	I1552 N1554 F1564 K1565 N1571 K1572 W1575 I1584	I1552-Y1568 HydrophobicContact CD1-CE1 3.98Å; I1552-Y1568 HydrophobicContact CG1-CD1 4.45Å; I1552-Y1568 HydrophobicContact CG1-CE1 3.91Å; N1554-Y1568 WeakPolarHBondContact ND2-CD2 3.36Å; N1554-Y1568 WeakPolarHBondContact ND2-CE2 3.27Å; F1564-Y1568 WeakPolarHBondContact O-CB 3.31Å; F1564-Y1568 PolarHBondContact O-N 3.17Å; K1565-Y1568 PolarHBondContact O-N 2.98Å; Y1568-N1571 CarbonylContact C-O 2.96Å; Y1568-K1572 WeakPolarHBondContact O-CA 3.44Å; Y1568-K1572 WeakPolarHBondContact O-CB 3.35Å; Y1568-K1572 PolarHBondContact O-N 3.19Å; Y1568-W1575 HydrophobicContact CE1-CD2 4.44Å; Y1568-W1575 HydrophobicContact CE1-CG 4.23Å; Y1568-I1584 WeakPolarHBondContact OH-CD1 3.5Å; Y1568-I1584 VanDerWaalsContact OH-CG1 3.31Å; Y1568-I1584 WeakPolarHBondContact OH-CG1 3.39Å
1569	T	46	Very low	38.8	Very low	71.6 Å²	71.6	112.7 Å²	112.7	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-76.5	-43.7	177.8	38.1	0	0	0	0	112.8	Y1252 S1253 K1565 K1566 I1567 N1571 K1572	Y1252-T1569 PolarHBondContact N-OG1 3.26Å; Y1252-T1569 PolarHBondContact O-OG1 3.36Å; S1253-T1569 PolarHBondContact N-OG1 3.5Å; S1253-T1569 VanDerWaalsContact O-CG2 3.28Å; S1253-T1569 WeakPolarHBondContact O-CG2 3.12Å; K1565-T1569 WeakPolarHBondContact O-CB 3.45Å; K1565-T1569 VanDerWaalsContact O-CG2 3.28Å; K1565-T1569 WeakPolarHBondContact O-CG2 3.36Å; K1565-T1569 PolarHBondContact O-N 2.9Å; K1565-T1569 PolarHBondContact O-OG1 3.19Å; K1566-T1569 WeakPolarHBondContact CA-OG1 3.34Å; K1566-T1569 PolarHBondContact O-OG1 3Å; I1567-T1569 VanDerWaalsContact C-N 3.33Å; I1567-T1569 PolarHBondContact O-N 3.24Å; T1569-N1571 PolarHBondContact O-N 2.78Å; T1569-K1572 VanDerWaalsContact O-CB 3.27Å; T1569-K1572 WeakPolarHBondContact O-CB 3.41Å; T1569-K1572 PolarHBondContact O-N 3.45Å
1570	N	40.5	Very low	39.6	Very low	93.8 Å²	93.8	107.1 Å²	107.1	50%	0.502	53%	0.526	S	S	.	.	H	α-helix	trans	-68.9	-41.8	178.9	-74.3	5.7	0	0	0	111.8	N1250 N1251 Y1252 I1548 K1566 I1567 K1572 H1573	N1250-N1570 PolarHBondContact O-ND2 3.43Å; N1251-N1570 PolarHBondContact N-ND2 2.81Å; N1251-N1570 PolarHBondContact O-ND2 3.12Å; N1251-N1570 PolarHBondContact O-OD1 3.4Å; Y1252-N1570 PolarHBondContact N-OD1 3.07Å; Y1252-N1570 VanDerWaalsContact N-OD1 3.08Å; I1548-N1570 HydrophobicContact CD1-CB 4.34Å; I1548-N1570 HydrophobicContact CG2-CB 3.84Å; K1566-N1570 WeakPolarHBondContact O-CB 3.42Å; K1566-N1570 VanDerWaalsContact O-CG 3.24Å; K1566-N1570 PolarHBondContact O-N 3.07Å; K1566-N1570 VanDerWaalsContact O-N 3.14Å; K1566-N1570 PolarHBondContact O-ND2 2.98Å; K1566-N1570 PolarHBondContact O-OD1 2.89Å; I1567-N1570 PolarHBondContact O-N 3.25Å; N1570-K1572 VanDerWaalsContact C-N 3.31Å; N1570-K1572 PolarHBondContact O-N 3.13Å; N1570-H1573 PolarHBondContact O-CE1 3.16Å; N1570-H1573 VanDerWaalsContact O-CE1 3.3Å; N1570-H1573 PolarHBondContact O-ND1 2.99Å; N1570-H1573 VanDerWaalsContact O-ND1 3.15Å
1571	N	36.9	Very low	40.1	Very low	50.4 Å²	50.4	108.4 Å²	108.4	27%	0.27	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	20.7	-179.5	-69.3	-14.5	0	0	0	113	I1548 H1549 I1550 P1551 I1567 Y1568 T1569 H1573 L1574 W1575	I1548-N1571 WeakPolarHBondContact CB-OD1 3.31Å; I1548-N1571 WeakPolarHBondContact CG1-ND2 3.29Å; I1548-N1571 VanDerWaalsContact CG1-OD1 3.25Å; I1548-N1571 WeakPolarHBondContact CG1-OD1 3.34Å; I1548-N1571 VanDerWaalsContact CG2-OD1 3.23Å; I1548-N1571 WeakPolarHBondContact CG2-OD1 3.11Å; H1549-N1571 WeakPolarHBondContact CA-OD1 3.14Å; H1549-N1571 PolarHBondContact N-OD1 3.41Å; I1550-N1571 VanDerWaalsContact CA-CG 3.43Å; I1550-N1571 WeakPolarHBondContact CA-OD1 3.11Å; I1550-N1571 HydrophobicContact CB-CB 3.95Å; I1550-N1571 HydrophobicContact CG1-CB 4.14Å; I1550-N1571 HydrophobicContact CG2-CB 3.76Å; I1550-N1571 PolarHBondContact N-OD1 3.14Å; P1551-N1571 WeakPolarHBondContact O-CB 3.48Å; P1551-N1571 PolarHBondContact O-ND2 2.69Å; I1567-N1571 WeakPolarHBondContact CG2-ND2 3.43Å; I1567-N1571 VanDerWaalsContact O-CB 3.29Å; I1567-N1571 WeakPolarHBondContact O-CB 3.35Å; I1567-N1571 PolarHBondContact O-N 3.21Å; I1567-N1571 VanDerWaalsContact O-N 3.1Å; Y1568-N1571 CarbonylContact C-O 2.96Å; T1569-N1571 PolarHBondContact O-N 2.78Å; N1571-H1573 PolarHBondContact O-N 3.13Å; N1571-L1574 HydrophobicContact CB-CD1 4.23Å; N1571-L1574 PolarHBondContact O-N 2.97Å; N1571-L1574 VanDerWaalsContact O-N 3.17Å; N1571-W1575 VanDerWaalsContact C-CD1 3.44Å; N1571-W1575 VanDerWaalsContact O-CD1 3.25Å; N1571-W1575 PolarHBondContact O-N 3.24Å
1572	K	42.6	Very low	40.8	Very low	112.4 Å²	112.4	108.6 Å²	108.6	49%	0.489	51%	0.513	S	S	.	.	H	α-helix	trans	-68.7	-17.4	-178.2	-161.2	172.1	-176.3	176.9	0	114.6	N1545 I1550 Y1568 T1569 N1570 K1576	N1545-K1572 PolarHBondContact OD1-NZ 3.17Å; I1550-K1572 VanDerWaalsContact CD1-C 3.43Å; Y1568-K1572 WeakPolarHBondContact O-CA 3.44Å; Y1568-K1572 WeakPolarHBondContact O-CB 3.35Å; Y1568-K1572 PolarHBondContact O-N 3.19Å; T1569-K1572 VanDerWaalsContact O-CB 3.27Å; T1569-K1572 WeakPolarHBondContact O-CB 3.41Å; T1569-K1572 PolarHBondContact O-N 3.45Å; N1570-K1572 VanDerWaalsContact C-N 3.31Å; N1570-K1572 PolarHBondContact O-N 3.13Å; K1572-K1576 VanDerWaalsContact O-CB 3.25Å; K1572-K1576 WeakPolarHBondContact O-CB 3.45Å; K1572-K1576 VanDerWaalsContact O-CG 3.32Å; K1572-K1576 WeakPolarHBondContact O-CG 3.3Å; K1572-K1576 PolarHBondContact O-N 2.99Å
1573	H	46.1	Very low	41.4	Very low	104.6 Å²	104.6	106.9 Å²	106.9	48%	0.484	50%	0.504	S	S	.	.	H	α-helix	trans	-86.5	-37	177.7	54.2	-74.1	0	0	0	113.6	Y1537 H1549 I1550 N1570 N1571 K1576 S1577	Y1537-H1573 PolarHBondContact OH-NE2 2.85Å; H1549-H1573 AromaticContact CE1-CD2 3.12Å; H1549-H1573 PolarHBondContact CE1-CD2 2.85Å; H1549-H1573 AromaticContact CE1-CE1 3.58Å; H1549-H1573 AromaticContact CE1-CG 3.17Å; H1549-H1573 PolarHBondContact CE1-N 3.06Å; H1549-H1573 AromaticContact CE1-ND1 3.51Å; H1549-H1573 AromaticContact CE1-NE2 3.38Å; H1549-H1573 PolarHBondContact CE1-NE2 2.99Å; H1549-H1573 VanDerWaalsContact NE2-C 3.3Å; H1549-H1573 VanDerWaalsContact NE2-CA 3.3Å; H1549-H1573 WeakPolarHBondContact NE2-CA 3.08Å; H1549-H1573 WeakPolarHBondContact NE2-CB 3.26Å; H1549-H1573 AromaticContact NE2-CD2 3.01Å; H1549-H1573 PolarHBondContact NE2-CD2 3.1Å; H1549-H1573 AromaticContact NE2-CG 3.06Å; H1549-H1573 PolarHBondContact NE2-N 3.37Å; H1549-H1573 AromaticContact NE2-ND1 3.88Å; H1549-H1573 AromaticContact NE2-NE2 3.78Å; I1550-H1573 VanDerWaalsContact CD1-N 3.27Å; N1570-H1573 PolarHBondContact O-CE1 3.16Å; N1570-H1573 VanDerWaalsContact O-CE1 3.3Å; N1570-H1573 PolarHBondContact O-ND1 2.99Å; N1570-H1573 VanDerWaalsContact O-ND1 3.15Å; N1571-H1573 PolarHBondContact O-N 3.13Å; H1573-K1576 PolarHBondContact O-N 3.47Å; H1573-S1577 PolarHBondContact O-N 3.12Å
1574	L	43.2	Very low	42.4	Very low	96.2 Å²	96.2	106 Å²	106	50%	0.504	50%	0.498	S	S	.	.	H	α-helix	trans	-68.9	-51.1	175.5	-71.7	179.2	0	0	0	112.4	H1549 I1550 N1571 K1576 S1577 L1578	H1549-L1574 HydrophobicContact CB-CB 3.89Å; H1549-L1574 HydrophobicContact CB-CD1 3.89Å; H1549-L1574 HydrophobicContact CB-CG 3.88Å; H1549-L1574 VanDerWaalsContact CD2-CB 3.41Å; H1549-L1574 WeakPolarHBondContact CD2-CB 3.26Å; H1549-L1574 PolarHBondContact CD2-N 2.95Å; H1549-L1574 VanDerWaalsContact CD2-N 3.29Å; H1549-L1574 PolarHBondContact NE2-N 2.85Å; I1550-L1574 HydrophobicContact CB-CB 4.38Å; I1550-L1574 HydrophobicContact CG1-CB 3.89Å; I1550-L1574 VanDerWaalsContact CG1-N 3.29Å; N1571-L1574 HydrophobicContact CB-CD1 4.23Å; N1571-L1574 PolarHBondContact O-N 2.97Å; N1571-L1574 VanDerWaalsContact O-N 3.17Å; L1574-K1576 VanDerWaalsContact C-N 3.31Å; L1574-K1576 PolarHBondContact O-N 3.14Å; L1574-S1577 PolarHBondContact O-N 3.02Å; L1574-S1577 VanDerWaalsContact O-N 3.09Å; L1574-L1578 WeakPolarHBondContact O-CB 3.28Å; L1574-L1578 PolarHBondContact O-N 3.21Å
1575	W	39	Very low	43.4	Very low	112 Å²	112	105.4 Å²	105.4	42%	0.424	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-27.4	178.8	-67.2	121.8	0	0	0	113.1	I1550 P1551 I1552 Y1568 N1571 S1577 L1578 H1579 S1580	I1550-W1575 HydrophobicContact CB-CB 3.79Å; I1550-W1575 VanDerWaalsContact CB-CD1 3.45Å; I1550-W1575 HydrophobicContact CB-CD2 4.39Å; I1550-W1575 HydrophobicContact CB-CG 3.51Å; I1550-W1575 HydrophobicContact CD1-CB 3.91Å; I1550-W1575 HydrophobicContact CG1-CB 4.3Å; I1550-W1575 VanDerWaalsContact CG1-N 3.29Å; I1550-W1575 HydrophobicContact CG2-CB 3.92Å; I1550-W1575 HydrophobicContact CG2-CG 3.58Å; I1550-W1575 PolarHBondContact O-NE1 3.42Å; P1551-W1575 VanDerWaalsContact CA-NE1 3.27Å; I1552-W1575 VanDerWaalsContact CD1-CD1 3.46Å; Y1568-W1575 HydrophobicContact CE1-CD2 4.44Å; Y1568-W1575 HydrophobicContact CE1-CG 4.23Å; N1571-W1575 VanDerWaalsContact C-CD1 3.44Å; N1571-W1575 VanDerWaalsContact O-CD1 3.25Å; N1571-W1575 PolarHBondContact O-N 3.24Å; W1575-S1577 VanDerWaalsContact C-N 3.31Å; W1575-S1577 PolarHBondContact O-N 3.19Å; W1575-L1578 HydrophobicContact CE3-CB 4.45Å; W1575-L1578 HydrophobicContact CE3-CD1 3.74Å; W1575-L1578 HydrophobicContact CZ3-CD1 3.76Å; W1575-L1578 PolarHBondContact O-N 2.95Å; W1575-L1578 VanDerWaalsContact O-N 3.09Å; W1575-H1579 AromaticContact CE3-CD2 3.63Å; W1575-H1579 AromaticContact CE3-NE2 3.49Å; W1575-H1579 AromaticContact CZ3-NE2 3.46Å; W1575-H1579 WeakPolarHBondContact CZ3-NE2 3.39Å; W1575-H1579 VanDerWaalsContact O-CB 3.32Å; W1575-H1579 WeakPolarHBondContact O-CB 3.37Å; W1575-H1579 PolarHBondContact O-CD2 2.82Å; W1575-H1579 VanDerWaalsContact O-CD2 3.24Å; W1575-H1579 PolarHBondContact O-N 2.99Å; W1575-S1580 PolarHBondContact O-OG 2.75Å
1576	K	42.8	Very low	44.3	Very low	137.4 Å²	137.4	101.1 Å²	101.1	60%	0.597	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-28	176.4	-97.3	-171.4	171.2	-163.4	0	113.1	I1528 N1529 I1550 K1572 H1573 L1574 S1580	I1528-K1576 VanDerWaalsContact C-CD 3.43Å; I1528-K1576 WeakPolarHBondContact O-CD 3.41Å; I1528-K1576 PolarHBondContact O-NZ 3.38Å; N1529-K1576 PolarHBondContact O-NZ 3.27Å; I1550-K1576 HydrophobicContact CD1-CB 4.47Å; K1572-K1576 VanDerWaalsContact O-CB 3.25Å; K1572-K1576 WeakPolarHBondContact O-CB 3.45Å; K1572-K1576 VanDerWaalsContact O-CG 3.32Å; K1572-K1576 WeakPolarHBondContact O-CG 3.3Å; K1572-K1576 PolarHBondContact O-N 2.99Å; H1573-K1576 PolarHBondContact O-N 3.47Å; L1574-K1576 VanDerWaalsContact C-N 3.31Å; L1574-K1576 PolarHBondContact O-N 3.14Å; K1576-S1580 WeakPolarHBondContact O-CB 3.46Å; K1576-S1580 PolarHBondContact O-N 3.4Å; K1576-S1580 PolarHBondContact O-OG 3.05Å
1577	S	40.7	Very low	44.9	Very low	78.4 Å²	78.4	98.2 Å²	98.2	55%	0.548	47%	0.47	S	S	.	.	H	α-helix	trans	-87.3	-30.7	175.5	-62.3	0	0	0	0	111.9	H1573 L1574 W1575 H1579 S1580 Q1581	H1573-S1577 PolarHBondContact O-N 3.12Å; L1574-S1577 PolarHBondContact O-N 3.02Å; L1574-S1577 VanDerWaalsContact O-N 3.09Å; W1575-S1577 VanDerWaalsContact C-N 3.31Å; W1575-S1577 PolarHBondContact O-N 3.19Å; S1577-H1579 PolarHBondContact O-N 3.16Å; S1577-S1580 VanDerWaalsContact O-CB 3.31Å; S1577-S1580 WeakPolarHBondContact O-CB 3.1Å; S1577-S1580 PolarHBondContact O-N 3.25Å; S1577-S1580 VanDerWaalsContact O-N 3.15Å; S1577-S1580 PolarHBondContact O-OG 2.97Å; S1577-Q1581 WeakPolarHBondContact O-CG 3.48Å; S1577-Q1581 PolarHBondContact O-N 3.07Å; S1577-Q1581 PolarHBondContact O-OE1 3.33Å
1578	L	38.5	Very low	46.1	Very low	113 Å²	113	99.9 Å²	99.9	59%	0.592	48%	0.475	S	S	*	.	H	α-helix	trans	-63.6	-27.2	172.1	-76.8	164.3	0	0	0	115.1	L1574 W1575 S1580 Q1581 W1582 Y1583	L1574-L1578 WeakPolarHBondContact O-CB 3.28Å; L1574-L1578 PolarHBondContact O-N 3.21Å; W1575-L1578 HydrophobicContact CE3-CB 4.45Å; W1575-L1578 HydrophobicContact CE3-CD1 3.74Å; W1575-L1578 HydrophobicContact CZ3-CD1 3.76Å; W1575-L1578 PolarHBondContact O-N 2.95Å; W1575-L1578 VanDerWaalsContact O-N 3.09Å; L1578-S1580 VanDerWaalsContact C-N 3.33Å; L1578-S1580 PolarHBondContact O-N 3.43Å; L1578-Q1581 PolarHBondContact O-N 3.21Å; L1578-W1582 WeakPolarHBondContact O-CB 3.22Å; L1578-W1582 PolarHBondContact O-N 2.92Å; L1578-Y1583 WeakPolarHBondContact O-CB 3.2Å; L1578-Y1583 VanDerWaalsContact O-CD1 3.31Å; L1578-Y1583 WeakPolarHBondContact O-CD1 3.38Å
1579	H	41.7	Very low	47	Very low	109.8 Å²	109.8	100.2 Å²	100.2	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-94	-5.1	173	-90.8	-65	0	0	0	113.5	W1575 S1577 Q1581 Y1583	W1575-H1579 AromaticContact CE3-CD2 3.63Å; W1575-H1579 AromaticContact CE3-NE2 3.49Å; W1575-H1579 AromaticContact CZ3-NE2 3.46Å; W1575-H1579 WeakPolarHBondContact CZ3-NE2 3.39Å; W1575-H1579 VanDerWaalsContact O-CB 3.32Å; W1575-H1579 WeakPolarHBondContact O-CB 3.37Å; W1575-H1579 PolarHBondContact O-CD2 2.82Å; W1575-H1579 VanDerWaalsContact O-CD2 3.24Å; W1575-H1579 PolarHBondContact O-N 2.99Å; S1577-H1579 PolarHBondContact O-N 3.16Å; H1579-Q1581 PolarHBondContact O-N 2.9Å; H1579-Y1583 HydrophobicContact CB-CD1 3.92Å; H1579-Y1583 HydrophobicContact CB-CG 4.48Å; H1579-Y1583 AromaticContact CD2-CD1 3.32Å; H1579-Y1583 WeakPolarHBondContact CD2-CD1 3.37Å; H1579-Y1583 AromaticContact CD2-CE1 3.4Å; H1579-Y1583 WeakPolarHBondContact CD2-CE1 3.48Å; H1579-Y1583 AromaticContact CG-CD1 3.59Å; H1579-Y1583 AromaticContact NE2-CD1 3.91Å; H1579-Y1583 AromaticContact NE2-CE1 3.58Å; H1579-Y1583 VanDerWaalsContact O-CB 3.27Å; H1579-Y1583 WeakPolarHBondContact O-CB 3.29Å; H1579-Y1583 PolarHBondContact O-N 3.33Å
1580	S	45.6	Very low	47.5	Very low	50 Å²	50	101.5 Å²	101.5	35%	0.35	48%	0.479	S	S	.	.	H	α-helix	trans	-65.7	-36.4	175.8	62.3	0	0	0	0	111.9	W1575 K1576 S1577 L1578 W1582 Y1583 I1584	W1575-S1580 PolarHBondContact O-OG 2.75Å; K1576-S1580 WeakPolarHBondContact O-CB 3.46Å; K1576-S1580 PolarHBondContact O-N 3.4Å; K1576-S1580 PolarHBondContact O-OG 3.05Å; S1577-S1580 VanDerWaalsContact O-CB 3.31Å; S1577-S1580 WeakPolarHBondContact O-CB 3.1Å; S1577-S1580 PolarHBondContact O-N 3.25Å; S1577-S1580 VanDerWaalsContact O-N 3.15Å; S1577-S1580 PolarHBondContact O-OG 2.97Å; L1578-S1580 VanDerWaalsContact C-N 3.33Å; L1578-S1580 PolarHBondContact O-N 3.43Å; S1580-W1582 VanDerWaalsContact C-N 3.34Å; S1580-W1582 PolarHBondContact O-N 3.08Å; S1580-Y1583 PolarHBondContact O-N 3.14Å; S1580-Y1583 PolarHBondContact OG-N 3.31Å; S1580-I1584 VanDerWaalsContact O-CB 3.27Å; S1580-I1584 WeakPolarHBondContact O-CB 3.44Å; S1580-I1584 WeakPolarHBondContact O-CD1 3.32Å; S1580-I1584 WeakPolarHBondContact O-CG1 3.32Å; S1580-I1584 PolarHBondContact O-N 3.07Å
1581	Q	46	Very low	48.3	Very low	151.4 Å²	151.4	101.3 Å²	101.3	71%	0.707	48%	0.476	S	S	*	.	H	α-helix	trans	-60.8	-35.1	-178.3	-84.7	159	-40.6	0	0	112.1	S1577 L1578 H1579 I1584 H1585	S1577-Q1581 WeakPolarHBondContact O-CG 3.48Å; S1577-Q1581 PolarHBondContact O-N 3.07Å; S1577-Q1581 PolarHBondContact O-OE1 3.33Å; L1578-Q1581 PolarHBondContact O-N 3.21Å; H1579-Q1581 PolarHBondContact O-N 2.9Å; Q1581-I1584 PolarHBondContact O-N 3.41Å; Q1581-H1585 WeakPolarHBondContact O-CB 3.41Å; Q1581-H1585 PolarHBondContact O-N 3.07Å
1582	W	48.5	Very low	49.1	Very low	149 Å²	149	102.4 Å²	102.4	56%	0.564	48%	0.48	S	S	*	.	H	α-helix	trans	-64.9	-46.1	175.2	-173.9	75	0	0	0	113	D1230 I1231 F1232 E1233 L1578 S1580 I1584 H1585 I1586	D1230-W1582 PolarHBondContact O-NE1 3.08Å; I1231-W1582 PolarHBondContact O-NE1 2.94Å; F1232-W1582 VanDerWaalsContact C-CH2 3.43Å; F1232-W1582 VanDerWaalsContact C-CZ2 3.47Å; F1232-W1582 WeakPolarHBondContact O-CH2 3.41Å; F1232-W1582 WeakPolarHBondContact O-CZ3 3.4Å; E1233-W1582 WeakPolarHBondContact O-CZ3 3.39Å; L1578-W1582 WeakPolarHBondContact O-CB 3.22Å; L1578-W1582 PolarHBondContact O-N 2.92Å; S1580-W1582 VanDerWaalsContact C-N 3.34Å; S1580-W1582 PolarHBondContact O-N 3.08Å; W1582-I1584 VanDerWaalsContact C-N 3.34Å; W1582-I1584 PolarHBondContact O-N 2.97Å; W1582-H1585 CarbonylContact O-C 3.56Å; W1582-H1585 WeakPolarHBondContact O-CA 3.23Å; W1582-H1585 WeakPolarHBondContact O-CB 3.3Å; W1582-H1585 PolarHBondContact O-N 3.04Å; W1582-H1585 VanDerWaalsContact O-N 3.15Å; W1582-I1586 HydrophobicContact CD2-CD1 3.76Å; W1582-I1586 HydrophobicContact CD2-CG1 4.43Å; W1582-I1586 VanDerWaalsContact CE2-CD1 3.46Å; W1582-I1586 HydrophobicContact CE3-CD1 3.7Å; W1582-I1586 VanDerWaalsContact CE3-CD1 3.45Å; W1582-I1586 HydrophobicContact CG-CD1 4.44Å; W1582-I1586 HydrophobicContact CH2-CD1 3.59Å; W1582-I1586 HydrophobicContact CZ2-CD1 3.42Å; W1582-I1586 VanDerWaalsContact CZ2-CD1 3.45Å; W1582-I1586 HydrophobicContact CZ2-CG1 4.28Å; W1582-I1586 HydrophobicContact CZ3-CD1 3.8Å; W1582-I1586 WeakPolarHBondContact O-CG1 3.44Å; W1582-I1586 PolarHBondContact O-N 3.21Å
1583	Y	44.2	Very low	49.4	Very low	118.4 Å²	118.4	102 Å²	102	46%	0.464	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-38.8	177.8	-172.6	-108.5	0	0	0	112	I1552 L1578 H1579 S1580 H1585 I1586 L1587	I1552-Y1583 HydrophobicContact CG2-CD1 3.85Å; I1552-Y1583 HydrophobicContact CG2-CE1 4.13Å; L1578-Y1583 WeakPolarHBondContact O-CB 3.2Å; L1578-Y1583 VanDerWaalsContact O-CD1 3.31Å; L1578-Y1583 WeakPolarHBondContact O-CD1 3.38Å; H1579-Y1583 HydrophobicContact CB-CD1 3.92Å; H1579-Y1583 HydrophobicContact CB-CG 4.48Å; H1579-Y1583 AromaticContact CD2-CD1 3.32Å; H1579-Y1583 WeakPolarHBondContact CD2-CD1 3.37Å; H1579-Y1583 AromaticContact CD2-CE1 3.4Å; H1579-Y1583 WeakPolarHBondContact CD2-CE1 3.48Å; H1579-Y1583 AromaticContact CG-CD1 3.59Å; H1579-Y1583 AromaticContact NE2-CD1 3.91Å; H1579-Y1583 AromaticContact NE2-CE1 3.58Å; H1579-Y1583 VanDerWaalsContact O-CB 3.27Å; H1579-Y1583 WeakPolarHBondContact O-CB 3.29Å; H1579-Y1583 PolarHBondContact O-N 3.33Å; S1580-Y1583 PolarHBondContact O-N 3.14Å; S1580-Y1583 PolarHBondContact OG-N 3.31Å; Y1583-H1585 VanDerWaalsContact C-N 3.3Å; Y1583-H1585 PolarHBondContact O-N 3.18Å; Y1583-I1586 PolarHBondContact O-N 3.24Å; Y1583-L1587 HydrophobicContact CD1-CD1 3.85Å; Y1583-L1587 HydrophobicContact CD1-CG 4.38Å; Y1583-L1587 HydrophobicContact CE1-CD1 3.44Å; Y1583-L1587 VanDerWaalsContact CE1-CD1 3.47Å; Y1583-L1587 HydrophobicContact CE1-CG 4.2Å; Y1583-L1587 HydrophobicContact CE2-CD1 4.42Å; Y1583-L1587 HydrophobicContact CE2-CG 4.39Å; Y1583-L1587 WeakPolarHBondContact O-CB 3.35Å; Y1583-L1587 WeakPolarHBondContact O-CG 3.35Å; Y1583-L1587 PolarHBondContact O-N 3.23Å
1584	I	54.8	Low	49.4	Very low	75 Å²	75	99.4 Å²	99.4	39%	0.385	48%	0.477	S	S	.	.	H	α-helix	trans	-62.7	-40.7	171.8	-66.8	167.6	0	0	0	110.8	I1552 Y1568 S1580 Q1581 W1582 I1586 L1587 K1588	I1552-I1584 HydrophobicContact CD1-CD1 3.83Å; I1552-I1584 HydrophobicContact CD1-CG1 3.52Å; Y1568-I1584 WeakPolarHBondContact OH-CD1 3.5Å; Y1568-I1584 VanDerWaalsContact OH-CG1 3.31Å; Y1568-I1584 WeakPolarHBondContact OH-CG1 3.39Å; S1580-I1584 VanDerWaalsContact O-CB 3.27Å; S1580-I1584 WeakPolarHBondContact O-CB 3.44Å; S1580-I1584 WeakPolarHBondContact O-CD1 3.32Å; S1580-I1584 WeakPolarHBondContact O-CG1 3.32Å; S1580-I1584 PolarHBondContact O-N 3.07Å; Q1581-I1584 PolarHBondContact O-N 3.41Å; W1582-I1584 VanDerWaalsContact C-N 3.34Å; W1582-I1584 PolarHBondContact O-N 2.97Å; I1584-I1586 VanDerWaalsContact C-N 3.34Å; I1584-I1586 PolarHBondContact O-N 3.07Å; I1584-L1587 PolarHBondContact O-N 3.22Å; I1584-K1588 HydrophobicContact CG2-CD 4.23Å; I1584-K1588 HydrophobicContact CG2-CG 4.32Å; I1584-K1588 VanDerWaalsContact O-CB 3.29Å; I1584-K1588 WeakPolarHBondContact O-CB 3.3Å; I1584-K1588 VanDerWaalsContact O-CG 3.32Å; I1584-K1588 WeakPolarHBondContact O-CG 3.29Å; I1584-K1588 PolarHBondContact O-N 3.05Å
1585	H	55.8	Low	49.6	Very low	122.6 Å²	122.6	100.3 Å²	100.3	57%	0.568	48%	0.478	S	S	*	.	H	α-helix	trans	-67.9	-36.9	179.6	-133.1	-34.8	0	0	0	112.8	Q1581 W1582 Y1583 K1588 R1589	Q1581-H1585 WeakPolarHBondContact O-CB 3.41Å; Q1581-H1585 PolarHBondContact O-N 3.07Å; W1582-H1585 CarbonylContact O-C 3.56Å; W1582-H1585 WeakPolarHBondContact O-CA 3.23Å; W1582-H1585 WeakPolarHBondContact O-CB 3.3Å; W1582-H1585 PolarHBondContact O-N 3.04Å; W1582-H1585 VanDerWaalsContact O-N 3.15Å; Y1583-H1585 VanDerWaalsContact C-N 3.3Å; Y1583-H1585 PolarHBondContact O-N 3.18Å; H1585-K1588 PolarHBondContact O-N 3.12Å; H1585-R1589 WeakPolarHBondContact O-CB 3.32Å; H1585-R1589 WeakPolarHBondContact O-CG 3.43Å; H1585-R1589 PolarHBondContact O-N 3.23Å; H1585-R1589 VanDerWaalsContact O-N 3.17Å
1586	I	59.9	Low	49.7	Very low	58 Å²	58	102.2 Å²	102.2	30%	0.297	49%	0.49	S	S	.	.	H	α-helix	trans	-68.3	-48.8	174	-72.7	175.9	0	0	0	110.8	W1582 Y1583 I1584 K1588 R1589 I1590	W1582-I1586 HydrophobicContact CD2-CD1 3.76Å; W1582-I1586 HydrophobicContact CD2-CG1 4.43Å; W1582-I1586 VanDerWaalsContact CE2-CD1 3.46Å; W1582-I1586 HydrophobicContact CE3-CD1 3.7Å; W1582-I1586 VanDerWaalsContact CE3-CD1 3.45Å; W1582-I1586 HydrophobicContact CG-CD1 4.44Å; W1582-I1586 HydrophobicContact CH2-CD1 3.59Å; W1582-I1586 HydrophobicContact CZ2-CD1 3.42Å; W1582-I1586 VanDerWaalsContact CZ2-CD1 3.45Å; W1582-I1586 HydrophobicContact CZ2-CG1 4.28Å; W1582-I1586 HydrophobicContact CZ3-CD1 3.8Å; W1582-I1586 WeakPolarHBondContact O-CG1 3.44Å; W1582-I1586 PolarHBondContact O-N 3.21Å; Y1583-I1586 PolarHBondContact O-N 3.24Å; I1584-I1586 VanDerWaalsContact C-N 3.34Å; I1584-I1586 PolarHBondContact O-N 3.07Å; I1586-K1588 VanDerWaalsContact C-N 3.28Å; I1586-K1588 PolarHBondContact O-N 3.29Å; I1586-R1589 PolarHBondContact O-N 2.95Å; I1586-R1589 VanDerWaalsContact O-N 3.12Å; I1586-I1590 HydrophobicContact CG2-CD1 3.66Å; I1586-I1590 HydrophobicContact CG2-CG1 4.37Å; I1586-I1590 WeakPolarHBondContact O-CB 3.47Å; I1586-I1590 VanDerWaalsContact O-CG1 3.28Å; I1586-I1590 WeakPolarHBondContact O-CG1 3.37Å; I1586-I1590 PolarHBondContact O-N 3.01Å
1587	L	52.4	Low	49.6	Very low	64.2 Å²	64.2	101.2 Å²	101.2	34%	0.336	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-39.7	176.6	-75.1	178	0	0	0	111.8	I1552 Y1583 I1584 R1589 I1590 I1591	I1552-L1587 HydrophobicContact CG2-CD1 3.59Å; Y1583-L1587 HydrophobicContact CD1-CD1 3.85Å; Y1583-L1587 HydrophobicContact CD1-CG 4.38Å; Y1583-L1587 HydrophobicContact CE1-CD1 3.44Å; Y1583-L1587 VanDerWaalsContact CE1-CD1 3.47Å; Y1583-L1587 HydrophobicContact CE1-CG 4.2Å; Y1583-L1587 HydrophobicContact CE2-CD1 4.42Å; Y1583-L1587 HydrophobicContact CE2-CG 4.39Å; Y1583-L1587 WeakPolarHBondContact O-CB 3.35Å; Y1583-L1587 WeakPolarHBondContact O-CG 3.35Å; Y1583-L1587 PolarHBondContact O-N 3.23Å; I1584-L1587 PolarHBondContact O-N 3.22Å; L1587-R1589 VanDerWaalsContact C-N 3.3Å; L1587-R1589 PolarHBondContact O-N 3.17Å; L1587-I1590 PolarHBondContact O-N 3.07Å; L1587-I1590 VanDerWaalsContact O-N 3.14Å; L1587-I1591 WeakPolarHBondContact O-CB 3.27Å; L1587-I1591 WeakPolarHBondContact O-CD1 3.42Å; L1587-I1591 VanDerWaalsContact O-CG1 3.24Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.23Å; L1587-I1591 PolarHBondContact O-N 2.92Å; L1587-I1591 VanDerWaalsContact O-N 3.11Å
1588	K	64.2	Low	49.3	Very low	108 Å²	108	101.2 Å²	101.2	47%	0.47	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-45.7	174.5	-135.3	-175.5	164.1	-99.8	0	111.8	I1584 H1585 I1586 I1590 I1591 E1592	I1584-K1588 HydrophobicContact CG2-CD 4.23Å; I1584-K1588 HydrophobicContact CG2-CG 4.32Å; I1584-K1588 VanDerWaalsContact O-CB 3.29Å; I1584-K1588 WeakPolarHBondContact O-CB 3.3Å; I1584-K1588 VanDerWaalsContact O-CG 3.32Å; I1584-K1588 WeakPolarHBondContact O-CG 3.29Å; I1584-K1588 PolarHBondContact O-N 3.05Å; H1585-K1588 PolarHBondContact O-N 3.12Å; I1586-K1588 VanDerWaalsContact C-N 3.28Å; I1586-K1588 PolarHBondContact O-N 3.29Å; K1588-I1590 VanDerWaalsContact C-N 3.33Å; K1588-I1590 PolarHBondContact O-N 3.09Å; K1588-I1591 PolarHBondContact O-N 3.05Å; K1588-I1591 VanDerWaalsContact O-N 3.17Å; K1588-E1592 WeakPolarHBondContact CB-OE2 3.37Å; K1588-E1592 WeakPolarHBondContact CE-OE1 3.31Å; K1588-E1592 IonicContact NZ-OE1 2.81Å; K1588-E1592 PolarHBondContact NZ-OE1 3.17Å; K1588-E1592 IonicContact NZ-OE2 3.38Å; K1588-E1592 PolarHBondContact NZ-OE2 2.86Å; K1588-E1592 WeakPolarHBondContact O-CB 3.38Å; K1588-E1592 VanDerWaalsContact O-CG 3.27Å; K1588-E1592 WeakPolarHBondContact O-CG 3.29Å; K1588-E1592 PolarHBondContact O-N 2.98Å
1589	R	57.4	Low	49	Very low	129 Å²	129	102.2 Å²	102.2	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176.4	-118.3	-177.3	176.1	166	-1.5	112.8	Y1227 H1228 S1229 H1585 I1586 L1587 I1591 E1592 E1593	Y1227-R1589 WeakPolarHBondContact O-CG 3.26Å; Y1227-R1589 PolarHBondContact O-NE 2.82Å; Y1227-R1589 VanDerWaalsContact O-NE 3.1Å; H1228-R1589 VanDerWaalsContact C-CD 3.49Å; H1228-R1589 VanDerWaalsContact C-NE 3.25Å; H1228-R1589 PolarHBondContact O-NE 2.76Å; H1228-R1589 PolarHBondContact O-NH2 3.5Å; S1229-R1589 PolarHBondContact O-NH1 3.23Å; S1229-R1589 PolarHBondContact O-NH2 2.8Å; H1585-R1589 WeakPolarHBondContact O-CB 3.32Å; H1585-R1589 WeakPolarHBondContact O-CG 3.43Å; H1585-R1589 PolarHBondContact O-N 3.23Å; H1585-R1589 VanDerWaalsContact O-N 3.17Å; I1586-R1589 PolarHBondContact O-N 2.95Å; I1586-R1589 VanDerWaalsContact O-N 3.12Å; L1587-R1589 VanDerWaalsContact C-N 3.3Å; L1587-R1589 PolarHBondContact O-N 3.17Å; R1589-I1591 VanDerWaalsContact C-N 3.32Å; R1589-I1591 PolarHBondContact O-N 2.96Å; R1589-E1592 CarbonylContact O-C 3.52Å; R1589-E1592 PolarHBondContact O-N 2.92Å; R1589-E1593 HydrophobicContact CG-CG 4.34Å; R1589-E1593 WeakPolarHBondContact CG-OE1 3.47Å; R1589-E1593 IonicContact CZ-OE1 3.18Å; R1589-E1593 IonicContact NE-OE1 2.85Å; R1589-E1593 PolarHBondContact NE-OE1 3.43Å; R1589-E1593 IonicContact NH2-OE1 2.7Å; R1589-E1593 PolarHBondContact NH2-OE1 3.01Å; R1589-E1593 WeakPolarHBondContact O-CB 3.31Å; R1589-E1593 VanDerWaalsContact O-CG 3.27Å; R1589-E1593 WeakPolarHBondContact O-CG 3.37Å; R1589-E1593 PolarHBondContact O-N 2.9Å
1590	I	57.1	Low	48.6	Very low	98.2 Å²	98.2	101.5 Å²	101.5	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-38.9	177	-67.6	168.6	0	0	0	110.9	I1586 L1587 K1588 A1594	I1586-I1590 HydrophobicContact CG2-CD1 3.66Å; I1586-I1590 HydrophobicContact CG2-CG1 4.37Å; I1586-I1590 WeakPolarHBondContact O-CB 3.47Å; I1586-I1590 VanDerWaalsContact O-CG1 3.28Å; I1586-I1590 WeakPolarHBondContact O-CG1 3.37Å; I1586-I1590 PolarHBondContact O-N 3.01Å; L1587-I1590 PolarHBondContact O-N 3.07Å; L1587-I1590 VanDerWaalsContact O-N 3.14Å; K1588-I1590 VanDerWaalsContact C-N 3.33Å; K1588-I1590 PolarHBondContact O-N 3.09Å; I1590-A1594 VanDerWaalsContact O-CB 3.27Å; I1590-A1594 WeakPolarHBondContact O-CB 3.35Å; I1590-A1594 PolarHBondContact O-N 3.19Å; I1590-A1594 VanDerWaalsContact O-N 3.13Å
1591	I	56.9	Low	47.8	Very low	88.6 Å²	88.6	107.4 Å²	107.4	45%	0.454	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-48.3	174.7	-68.9	165	0	0	0	110.4	L1587 K1588 R1589 E1593 A1594 E1595	L1587-I1591 WeakPolarHBondContact O-CB 3.27Å; L1587-I1591 WeakPolarHBondContact O-CD1 3.42Å; L1587-I1591 VanDerWaalsContact O-CG1 3.24Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.23Å; L1587-I1591 PolarHBondContact O-N 2.92Å; L1587-I1591 VanDerWaalsContact O-N 3.11Å; K1588-I1591 PolarHBondContact O-N 3.05Å; K1588-I1591 VanDerWaalsContact O-N 3.17Å; R1589-I1591 VanDerWaalsContact C-N 3.32Å; R1589-I1591 PolarHBondContact O-N 2.96Å; I1591-E1593 VanDerWaalsContact C-N 3.34Å; I1591-E1593 PolarHBondContact O-N 3.18Å; I1591-A1594 CarbonylContact O-C 3.53Å; I1591-A1594 WeakPolarHBondContact O-CA 3.35Å; I1591-A1594 WeakPolarHBondContact O-CB 3.47Å; I1591-A1594 PolarHBondContact O-N 3.11Å; I1591-A1594 VanDerWaalsContact O-N 3.15Å; I1591-E1595 HydrophobicContact CG2-CG 4.11Å; I1591-E1595 VanDerWaalsContact CG2-OE1 3.31Å; I1591-E1595 WeakPolarHBondContact CG2-OE1 3.5Å; I1591-E1595 WeakPolarHBondContact O-CB 3.46Å; I1591-E1595 WeakPolarHBondContact O-CG 3.09Å; I1591-E1595 PolarHBondContact O-N 2.87Å
1592	E	53.4	Low	47.1	Very low	74.6 Å²	74.6	107.8 Å²	107.8	35%	0.349	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-39.3	178	-74.9	168.4	171.9	0	0	111.6	N1225 L1226 K1588 R1589 A1594 E1595 F1596	N1225-E1592 CarbonylContact C-O 3.13Å; N1225-E1592 WeakPolarHBondContact CA-O 3.41Å; L1226-E1592 VanDerWaalsContact N-CB 3.34Å; L1226-E1592 PolarHBondContact N-O 2.73Å; L1226-E1592 WeakPolarHBondContact O-CB 3.2Å; K1588-E1592 WeakPolarHBondContact CB-OE2 3.37Å; K1588-E1592 WeakPolarHBondContact CE-OE1 3.31Å; K1588-E1592 IonicContact NZ-OE1 2.81Å; K1588-E1592 PolarHBondContact NZ-OE1 3.17Å; K1588-E1592 IonicContact NZ-OE2 3.38Å; K1588-E1592 PolarHBondContact NZ-OE2 2.86Å; K1588-E1592 WeakPolarHBondContact O-CB 3.38Å; K1588-E1592 VanDerWaalsContact O-CG 3.27Å; K1588-E1592 WeakPolarHBondContact O-CG 3.29Å; K1588-E1592 PolarHBondContact O-N 2.98Å; R1589-E1592 CarbonylContact O-C 3.52Å; R1589-E1592 PolarHBondContact O-N 2.92Å; E1592-A1594 PolarHBondContact O-N 3.09Å; E1592-E1595 PolarHBondContact O-N 3.09Å; E1592-F1596 WeakPolarHBondContact O-CB 3.29Å; E1592-F1596 VanDerWaalsContact O-CD2 3.23Å; E1592-F1596 WeakPolarHBondContact O-CD2 3.29Å; E1592-F1596 PolarHBondContact O-N 3.11Å; E1592-F1596 VanDerWaalsContact O-N 3.08Å
1593	E	48.5	Very low	46	Very low	104.4 Å²	104.4	106.4 Å²	106.4	49%	0.488	53%	0.532	S	S	.	.	H	α-helix	trans	-72	-31.7	174.8	-72.6	172.4	-177.1	0	0	112.9	H1228 R1589 I1591 E1595 F1596 T1597	H1228-E1593 WeakPolarHBondContact CA-OE1 3.24Å; H1228-E1593 IonicContact CE1-OE1 2.76Å; H1228-E1593 IonicContact CG-OE1 2.62Å; H1228-E1593 PolarHBondContact N-OE1 2.76Å; H1228-E1593 IonicContact ND1-OE1 2.75Å; H1228-E1593 PolarHBondContact ND1-OE1 2.78Å; R1589-E1593 HydrophobicContact CG-CG 4.34Å; R1589-E1593 WeakPolarHBondContact CG-OE1 3.47Å; R1589-E1593 IonicContact CZ-OE1 3.18Å; R1589-E1593 IonicContact NE-OE1 2.85Å; R1589-E1593 PolarHBondContact NE-OE1 3.43Å; R1589-E1593 IonicContact NH2-OE1 2.7Å; R1589-E1593 PolarHBondContact NH2-OE1 3.01Å; R1589-E1593 WeakPolarHBondContact O-CB 3.31Å; R1589-E1593 VanDerWaalsContact O-CG 3.27Å; R1589-E1593 WeakPolarHBondContact O-CG 3.37Å; R1589-E1593 PolarHBondContact O-N 2.9Å; I1591-E1593 VanDerWaalsContact C-N 3.34Å; I1591-E1593 PolarHBondContact O-N 3.18Å; E1593-E1595 PolarHBondContact O-N 2.78Å; E1593-F1596 WeakPolarHBondContact O-CB 3.35Å; E1593-F1596 PolarHBondContact O-N 3.2Å; E1593-T1597 WeakPolarHBondContact O-CG2 3.13Å; E1593-T1597 PolarHBondContact O-N 3.1Å; E1593-T1597 PolarHBondContact O-OG1 3.2Å
1594	A	45.9	Very low	45.3	Very low	50.2 Å²	50.2	107 Å²	107	42%	0.415	54%	0.542	S	S	.	.	H	α-helix	trans	-72.3	-38.9	171.8	0	0	0	0	0	112.4	I1590 I1591 E1592 F1596 T1597 T1598	I1590-A1594 VanDerWaalsContact O-CB 3.27Å; I1590-A1594 WeakPolarHBondContact O-CB 3.35Å; I1590-A1594 PolarHBondContact O-N 3.19Å; I1590-A1594 VanDerWaalsContact O-N 3.13Å; I1591-A1594 CarbonylContact O-C 3.53Å; I1591-A1594 WeakPolarHBondContact O-CA 3.35Å; I1591-A1594 WeakPolarHBondContact O-CB 3.47Å; I1591-A1594 PolarHBondContact O-N 3.11Å; I1591-A1594 VanDerWaalsContact O-N 3.15Å; E1592-A1594 PolarHBondContact O-N 3.09Å; A1594-F1596 VanDerWaalsContact C-N 3.28Å; A1594-F1596 PolarHBondContact O-N 3.19Å; A1594-T1597 WeakPolarHBondContact CA-OG1 3.45Å; A1594-T1597 PolarHBondContact O-N 3.11Å; A1594-T1597 PolarHBondContact O-OG1 3.07Å; A1594-T1598 WeakPolarHBondContact O-CB 3.49Å; A1594-T1598 WeakPolarHBondContact O-CG2 3.29Å; A1594-T1598 PolarHBondContact O-N 2.9Å; A1594-T1598 VanDerWaalsContact O-N 3.15Å; A1594-T1598 PolarHBondContact O-OG1 3.07Å
1595	E	48.5	Very low	44	Very low	113.4 Å²	113.4	109.7 Å²	109.7	53%	0.53	56%	0.557	S	S	.	*	H	α-helix	trans	-64.4	-32.5	172.9	-79.7	-172.9	153.8	0	0	112.1	G1224 N1225 I1591 E1592 E1593 T1597 T1598	G1224-E1595 VanDerWaalsContact C-CD 3.42Å; G1224-E1595 WeakPolarHBondContact CA-O 3.08Å; G1224-E1595 PolarHBondContact N-OE1 2.78Å; N1225-E1595 PolarHBondContact N-OE2 2.83Å; I1591-E1595 HydrophobicContact CG2-CG 4.11Å; I1591-E1595 VanDerWaalsContact CG2-OE1 3.31Å; I1591-E1595 WeakPolarHBondContact CG2-OE1 3.5Å; I1591-E1595 WeakPolarHBondContact O-CB 3.46Å; I1591-E1595 WeakPolarHBondContact O-CG 3.09Å; I1591-E1595 PolarHBondContact O-N 2.87Å; E1592-E1595 PolarHBondContact O-N 3.09Å; E1593-E1595 PolarHBondContact O-N 2.78Å; E1595-T1597 VanDerWaalsContact C-N 3.32Å; E1595-T1597 PolarHBondContact O-N 3.01Å; E1595-T1598 PolarHBondContact O-N 3.37Å; E1595-T1598 PolarHBondContact O-OG1 2.94Å
1596	F	41.7	Very low	42.7	Very low	153 Å²	153	113.2 Å²	113.2	67%	0.671	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-18	174.7	-94.9	-72.5	0	0	0	114.5	N1225 L1226 Y1227 E1592 E1593 A1594 I1599	N1225-F1596 HydrophobicContact CB-CD2 3.46Å; N1225-F1596 VanDerWaalsContact CB-CD2 3.46Å; N1225-F1596 HydrophobicContact CB-CE2 3.42Å; N1225-F1596 VanDerWaalsContact CB-CE2 3.42Å; N1225-F1596 HydrophobicContact CB-CG 4.13Å; N1225-F1596 HydrophobicContact CB-CZ 4.09Å; N1225-F1596 WeakPolarHBondContact ND2-CA 3.21Å; N1225-F1596 WeakPolarHBondContact ND2-CD1 3.37Å; N1225-F1596 WeakPolarHBondContact ND2-CD2 3.32Å; N1225-F1596 WeakPolarHBondContact ND2-CE1 3.24Å; N1225-F1596 VanDerWaalsContact ND2-CE2 3.3Å; N1225-F1596 WeakPolarHBondContact ND2-CE2 3.43Å; N1225-F1596 WeakPolarHBondContact ND2-CG 3.32Å; N1225-F1596 WeakPolarHBondContact ND2-CZ 3.36Å; L1226-F1596 HydrophobicContact CB-CE2 4.29Å; L1226-F1596 HydrophobicContact CD1-CE2 4.09Å; L1226-F1596 HydrophobicContact CG-CE2 3.88Å; L1226-F1596 VanDerWaalsContact N-CD2 3.28Å; Y1227-F1596 HydrophobicContact CD2-CD2 4.38Å; Y1227-F1596 AromaticContact CD2-CE2 3.93Å; Y1227-F1596 HydrophobicContact CD2-CE2 3.93Å; Y1227-F1596 HydrophobicContact CD2-CZ 4.48Å; Y1227-F1596 AromaticContact CE2-CD2 4Å; Y1227-F1596 HydrophobicContact CE2-CD2 4Å; Y1227-F1596 HydrophobicContact CE2-CE1 4.22Å; Y1227-F1596 AromaticContact CE2-CE2 3.37Å; Y1227-F1596 HydrophobicContact CE2-CE2 3.37Å; Y1227-F1596 AromaticContact CE2-CZ 3.52Å; Y1227-F1596 HydrophobicContact CE2-CZ 3.52Å; E1592-F1596 WeakPolarHBondContact O-CB 3.29Å; E1592-F1596 VanDerWaalsContact O-CD2 3.23Å; E1592-F1596 WeakPolarHBondContact O-CD2 3.29Å; E1592-F1596 PolarHBondContact O-N 3.11Å; E1592-F1596 VanDerWaalsContact O-N 3.08Å; E1593-F1596 WeakPolarHBondContact O-CB 3.35Å; E1593-F1596 PolarHBondContact O-N 3.2Å; A1594-F1596 VanDerWaalsContact C-N 3.28Å; A1594-F1596 PolarHBondContact O-N 3.19Å; F1596-I1599 HydrophobicContact CD1-CD1 3.8Å; F1596-I1599 HydrophobicContact CE1-CD1 4.4Å; F1596-I1599 WeakPolarHBondContact O-CD1 3.31Å; F1596-I1599 WeakPolarHBondContact O-CG1 3.27Å
1597	T	40.3	Very low	41.3	Very low	116 Å²	116	116.2 Å²	116.2	71%	0.712	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-9.8	177.8	55.6	0	0	0	0	113.7	E1593 A1594 E1595 I1599	E1593-T1597 WeakPolarHBondContact O-CG2 3.13Å; E1593-T1597 PolarHBondContact O-N 3.1Å; E1593-T1597 PolarHBondContact O-OG1 3.2Å; A1594-T1597 WeakPolarHBondContact CA-OG1 3.45Å; A1594-T1597 PolarHBondContact O-N 3.11Å; A1594-T1597 PolarHBondContact O-OG1 3.07Å; E1595-T1597 VanDerWaalsContact C-N 3.32Å; E1595-T1597 PolarHBondContact O-N 3.01Å; T1597-I1599 VanDerWaalsContact C-N 3.27Å; T1597-I1599 PolarHBondContact O-N 3.14Å; T1597-I1599 VanDerWaalsContact O-N 3.11Å
1598	T	33.3	Very low	40.2	Very low	79.4 Å²	79.4	119.7 Å²	119.7	49%	0.487	60%	0.602	S	S	.	*			trans	-109.1	61.3	179.2	55	0	0	0	0	112.6	T1222 K1223 A1594 E1595 T1600 V2179	T1222-T1598 CarbonylContact C-O 3.59Å; T1222-T1598 VanDerWaalsContact CA-O 3.3Å; T1222-T1598 WeakPolarHBondContact CA-O 3.31Å; T1222-T1598 WeakPolarHBondContact CB-O 3.15Å; T1222-T1598 WeakPolarHBondContact CG2-O 3.08Å; K1223-T1598 PolarHBondContact N-O 3.08Å; K1223-T1598 PolarHBondContact N-OG1 3.4Å; K1223-T1598 VanDerWaalsContact N-OG1 3.16Å; A1594-T1598 WeakPolarHBondContact O-CB 3.49Å; A1594-T1598 WeakPolarHBondContact O-CG2 3.29Å; A1594-T1598 PolarHBondContact O-N 2.9Å; A1594-T1598 VanDerWaalsContact O-N 3.15Å; A1594-T1598 PolarHBondContact O-OG1 3.07Å; E1595-T1598 PolarHBondContact O-N 3.37Å; E1595-T1598 PolarHBondContact O-OG1 2.94Å; T1598-T1600 VanDerWaalsContact C-N 3.28Å; T1598-T1600 PolarHBondContact O-N 3.12Å; T1598-V2179 HydrophobicContact CG2-CG2 4.3Å
1599	I	32.4	Very low	38.6	Very low	132.8 Å²	132.8	122.2 Å²	122.2	68%	0.681	61%	0.613	S	S	*	*			trans	-69.3	117.8	169.4	-59.8	173.8	0	0	0	108.9	K1223 F1596 T1597 E1601	K1223-I1599 HydrophobicContact CG-CG1 4.43Å; F1596-I1599 HydrophobicContact CD1-CD1 3.8Å; F1596-I1599 HydrophobicContact CE1-CD1 4.4Å; F1596-I1599 WeakPolarHBondContact O-CD1 3.31Å; F1596-I1599 WeakPolarHBondContact O-CG1 3.27Å; T1597-I1599 VanDerWaalsContact C-N 3.27Å; T1597-I1599 PolarHBondContact O-N 3.14Å; T1597-I1599 VanDerWaalsContact O-N 3.11Å; I1599-E1601 PolarHBondContact O-N 3.04Å
1600	T	34.3	Very low	37.3	Very low	94.4 Å²	94.4	121.3 Å²	121.3	58%	0.579	63%	0.625	S	S	*	*			trans	-64.6	124.2	174.4	48.4	0	0	0	0	112.7	V1220 T1222 T1598 Q1602	V1220-T1600 HydrophobicContact CG1-CG2 4.04Å; T1222-T1600 HydrophobicContact CG2-CG2 3.85Å; T1222-T1600 WeakPolarHBondContact OG1-CG2 3.34Å; T1598-T1600 VanDerWaalsContact C-N 3.28Å; T1598-T1600 PolarHBondContact O-N 3.12Å; T1600-Q1602 HydrophobicContact CG2-CG 3.81Å; T1600-Q1602 PolarHBondContact O-N 3.14Å
1601	E	29	Very low	36.1	Very low	174 Å²	174	122.2 Å²	122.2	81%	0.813	64%	0.635	S	S	*	*			trans	-80.3	115	147.4	-85	-175.6	162.2	0	0	108.7	R1033 I1599 T1603 R1938	R1033-E1601 IonicContact NH2-OE1 2.65Å; R1033-E1601 IonicContact NH2-OE2 2.64Å; R1033-E1601 PolarHBondContact NH2-OE2 3.22Å; R1033-E1601 VanDerWaalsContact NH2-OE2 3.09Å; I1599-E1601 PolarHBondContact O-N 3.04Å; E1601-T1603 PolarHBondContact O-N 3Å; E1601-T1603 VanDerWaalsContact O-N 3.17Å; E1601-R1938 IonicContact OE1-CZ 3.85Å; E1601-R1938 IonicContact OE1-NH1 3.46Å; E1601-R1938 PolarHBondContact OE1-NH1 3.22Å; E1601-R1938 IonicContact OE1-NH2 3.6Å; E1601-R1938 PolarHBondContact OE1-NH2 3.26Å; E1601-R1938 IonicContact OE2-CZ 3.55Å; E1601-R1938 IonicContact OE2-NH2 2.71Å; E1601-R1938 PolarHBondContact OE2-NH2 2.89Å
1602	Q	30.1	Very low	34.8	Very low	161.4 Å²	161.4	127.3 Å²	127.3	75%	0.754	65%	0.653	S	S	*	*			trans	-84.1	124.2	178.4	-74.9	-175.8	-14.8	0	0	110.4	V1220 T1600 I1604	V1220-Q1602 HydrophobicContact CG2-CG 4.14Å; T1600-Q1602 HydrophobicContact CG2-CG 3.81Å; T1600-Q1602 PolarHBondContact O-N 3.14Å; Q1602-I1604 VanDerWaalsContact C-N 3.29Å; Q1602-I1604 PolarHBondContact O-N 2.78Å
1603	T	26.9	Very low	33.7	Very low	119.2 Å²	119.2	133.2 Å²	133.2	73%	0.731	67%	0.674	S	S	*	*			trans	-67.1	119.3	176.6	52.7	0	0	0	0	111.8	K1218 E1601 D1605	K1218-T1603 HydrophobicContact CD-CG2 3.83Å; K1218-T1603 HydrophobicContact CG-CG2 3.9Å; E1601-T1603 PolarHBondContact O-N 3Å; E1601-T1603 VanDerWaalsContact O-N 3.17Å; T1603-D1605 WeakPolarHBondContact CB-OD2 3.39Å; T1603-D1605 PolarHBondContact O-N 3.4Å; T1603-D1605 PolarHBondContact OG1-OD2 3.24Å
1604	I	29.2	Very low	32.7	Very low	129.8 Å²	129.8	136.1 Å²	136.1	67%	0.666	69%	0.689	S	S	*	*			trans	-92.4	121.8	165.7	-58.7	172.7	0	0	0	108.3	Q1602 Y1606	Q1602-I1604 VanDerWaalsContact C-N 3.29Å; Q1602-I1604 PolarHBondContact O-N 2.78Å; I1604-Y1606 HydrophobicContact CB-CD2 4.31Å; I1604-Y1606 HydrophobicContact CB-CE2 4.01Å; I1604-Y1606 HydrophobicContact CD1-CE2 4.16Å; I1604-Y1606 HydrophobicContact CG2-CD1 4.41Å; I1604-Y1606 HydrophobicContact CG2-CD2 3.79Å; I1604-Y1606 VanDerWaalsContact CG2-CD2 3.48Å; I1604-Y1606 HydrophobicContact CG2-CE1 4.34Å; I1604-Y1606 HydrophobicContact CG2-CE2 3.79Å; I1604-Y1606 HydrophobicContact CG2-CG 3.91Å; I1604-Y1606 VanDerWaalsContact O-CD2 3.23Å; I1604-Y1606 WeakPolarHBondContact O-CD2 3.18Å; I1604-Y1606 PolarHBondContact O-N 3.06Å
1605	D	26.6	Very low	31.9	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	70%	0.702	S	S	*	*			trans	-84.5	141.2	172.2	-85.3	-41	0	0	0	111.3	K1218 T1603	K1218-D1605 WeakPolarHBondContact CE-OD1 3.15Å; K1218-D1605 IonicContact NZ-OD1 3.17Å; K1218-D1605 PolarHBondContact NZ-OD1 3.46Å; K1218-D1605 IonicContact NZ-OD2 3.43Å; K1218-D1605 PolarHBondContact NZ-OD2 3.03Å; T1603-D1605 WeakPolarHBondContact CB-OD2 3.39Å; T1603-D1605 PolarHBondContact O-N 3.4Å; T1603-D1605 PolarHBondContact OG1-OD2 3.24Å
1606	Y	29	Very low	30.8	Very low	197 Å²	197	138.2 Å²	138.2	77%	0.773	71%	0.714	S	S	*	*			trans	-137.2	97	174.3	-84	-72.3	0	0	0	113.4	I1604	I1604-Y1606 HydrophobicContact CB-CD2 4.31Å; I1604-Y1606 HydrophobicContact CB-CE2 4.01Å; I1604-Y1606 HydrophobicContact CD1-CE2 4.16Å; I1604-Y1606 HydrophobicContact CG2-CD1 4.41Å; I1604-Y1606 HydrophobicContact CG2-CD2 3.79Å; I1604-Y1606 VanDerWaalsContact CG2-CD2 3.48Å; I1604-Y1606 HydrophobicContact CG2-CE1 4.34Å; I1604-Y1606 HydrophobicContact CG2-CE2 3.79Å; I1604-Y1606 HydrophobicContact CG2-CG 3.91Å; I1604-Y1606 VanDerWaalsContact O-CD2 3.23Å; I1604-Y1606 WeakPolarHBondContact O-CD2 3.18Å; I1604-Y1606 PolarHBondContact O-N 3.06Å
1607	D	29.1	Very low	30	Very low	121 Å²	121	136.2 Å²	136.2	65%	0.647	72%	0.719	S	S	*	*			trans	-46.1	131.3	164.8	-73.7	-41.4	0	0	0	115.6	F1609 D1921	D1607-F1609 HydrophobicContact CB-CD2 3.61Å; D1607-F1609 HydrophobicContact CB-CE1 4.48Å; D1607-F1609 HydrophobicContact CB-CE2 3.51Å; D1607-F1609 HydrophobicContact CB-CG 4.16Å; D1607-F1609 HydrophobicContact CB-CZ 3.98Å; D1607-F1609 PolarHBondContact O-N 2.65Å; D1607-F1609 WeakPolarHBondContact OD1-CZ 3.42Å; D1607-F1609 WeakPolarHBondContact OD2-CE2 3.36Å; D1607-F1609 WeakPolarHBondContact OD2-CZ 3.41Å; D1607-D1921 HydrophobicContact CB-CB 4.45Å
1608	N	30.9	Very low	29.3	Very low	137.2 Å²	137.2	136.3 Å²	136.3	73%	0.734	72%	0.724	S	S	*	*			trans	82.3	86.3	157.4	-78.5	-78.2	0	0	0	116.6	H1919 L1920 D1921	N1608-H1919 WeakPolarHBondContact O-CA 3.44Å; N1608-H1919 PolarHBondContact O-N 2.85Å; N1608-L1920 VanDerWaalsContact C-N 3.26Å; N1608-L1920 PolarHBondContact N-O 2.69Å; N1608-L1920 PolarHBondContact O-N 3.49Å; N1608-L1920 VanDerWaalsContact O-N 3.15Å; N1608-D1921 WeakPolarHBondContact CA-OD2 3.37Å; N1608-D1921 HydrophobicContact CB-CB 4.36Å; N1608-D1921 WeakPolarHBondContact CB-OD2 3.49Å; N1608-D1921 PolarHBondContact N-OD2 2.92Å; N1608-D1921 PolarHBondContact ND2-OD2 2.88Å
1609	F	29.9	Very low	29	Very low	159.8 Å²	159.8	137.3 Å²	137.3	70%	0.701	74%	0.735	S	S	*	*			trans	-133.3	158	145.5	-91.9	-63	0	0	0	112.1	D1607 T1611 H1919 L1920 D1921	D1607-F1609 HydrophobicContact CB-CD2 3.61Å; D1607-F1609 HydrophobicContact CB-CE1 4.48Å; D1607-F1609 HydrophobicContact CB-CE2 3.51Å; D1607-F1609 HydrophobicContact CB-CG 4.16Å; D1607-F1609 HydrophobicContact CB-CZ 3.98Å; D1607-F1609 PolarHBondContact O-N 2.65Å; D1607-F1609 WeakPolarHBondContact OD1-CZ 3.42Å; D1607-F1609 WeakPolarHBondContact OD2-CE2 3.36Å; D1607-F1609 WeakPolarHBondContact OD2-CZ 3.41Å; F1609-T1611 HydrophobicContact CB-CG2 4.04Å; F1609-T1611 HydrophobicContact CD1-CG2 4.42Å; F1609-T1611 HydrophobicContact CD2-CG2 4.28Å; F1609-T1611 HydrophobicContact CG-CG2 4.05Å; F1609-T1611 PolarHBondContact O-N 2.68Å; F1609-H1919 PolarHBondContact N-CD2 2.78Å; F1609-H1919 CarbonylContact O-C 2.84Å; F1609-H1919 WeakPolarHBondContact O-CA 3.32Å; F1609-H1919 WeakPolarHBondContact O-CB 3.03Å; F1609-H1919 PolarHBondContact O-ND1 2.9Å; F1609-L1920 VanDerWaalsContact N-N 3.19Å; F1609-L1920 WeakPolarHBondContact O-CA 3.25Å; F1609-L1920 PolarHBondContact O-N 3.2Å; F1609-D1921 HydrophobicContact CD1-CB 3.36Å; F1609-D1921 HydrophobicContact CE1-CB 3.75Å; F1609-D1921 HydrophobicContact CG-CB 4.19Å
1610	P	30.4	Very low	28.7	Very low	111.6 Å²	111.6	135.9 Å²	135.9	73%	0.725	74%	0.737	S	S	*	*			trans	-94.6	135.8	179.5	25	-20	0	0	0	115.7	K1612 L1920	P1610-K1612 PolarHBondContact O-N 2.69Å; P1610-L1920 HydrophobicContact CB-CD2 4.28Å
1611	T	30.9	Very low	28.4	Very low	116.8 Å²	116.8	142.5 Å²	142.5	72%	0.717	75%	0.751	S	S	*	*			trans	-38.8	126.1	167.3	45.3	0	0	0	0	117.4	F1609 Y1613 L1920	F1609-T1611 HydrophobicContact CB-CG2 4.04Å; F1609-T1611 HydrophobicContact CD1-CG2 4.42Å; F1609-T1611 HydrophobicContact CD2-CG2 4.28Å; F1609-T1611 HydrophobicContact CG-CG2 4.05Å; F1609-T1611 PolarHBondContact O-N 2.68Å; T1611-Y1613 PolarHBondContact O-N 2.91Å; T1611-L1920 HydrophobicContact CG2-CD1 3.85Å
1612	K	31.5	Very low	28.3	Very low	194.6 Å²	194.6	137.7 Å²	137.7	85%	0.846	75%	0.748	S	S	*	*			trans	-115.3	128.2	150.1	-118.7	172.2	-176.8	172.1	0	111.7	P1610 M1614	P1610-K1612 PolarHBondContact O-N 2.69Å; K1612-M1614 PolarHBondContact O-N 2.91Å
1613	Y	29.3	Very low	28.2	Very low	199.4 Å²	199.4	134.3 Å²	134.3	78%	0.782	74%	0.742	S	S	*	*			trans	-17.4	132.6	163.6	-75.1	-93.4	0	0	0	114.3	T1611	T1611-Y1613 PolarHBondContact O-N 2.91Å
1614	M	28.2	Very low	28.2	Very low	164.2 Å²	164.2	137.8 Å²	137.8	81%	0.809	74%	0.743	S	S	*	*				173.6	145.1	87.9	-86.1	176.1	76.1	0	0	113.6	K1612	K1612-M1614 PolarHBondContact O-N 2.91Å
1615	S	27.8	Very low	28.2	Very low	98.6 Å²	98.6	139.2 Å²	139.2	69%	0.69	75%	0.745	S	S	*	*			trans	73.1	106.8	151.6	-61.9	0	0	0	0	120.6
1616	S	25.6	Very low	28.3	Very low	109.2 Å²	109.2	136.2 Å²	136.2	76%	0.764	75%	0.745	S	S	*	*				60.3	130.2	115.2	-58.1	0	0	0	0	118.6
1617	S	25.8	Very low	28.2	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	74%	0.744	S	S	*	*			trans	109.7	119	133.8	-71.3	0	0	0	0	117.4	S1619	S1617-S1619 PolarHBondContact O-N 3.37Å
1618	S	25.4	Very low	28.2	Very low	117.6 Å²	117.6	136.7 Å²	136.7	82%	0.822	76%	0.755	S	S	*	*				53.7	127.8	129.5	-19.2	0	0	0	0	117.1
1619	S	26.7	Very low	28.1	Very low	101.2 Å²	101.2	133.6 Å²	133.6	71%	0.708	76%	0.755	S	S	*	*			trans	117.9	122.8	142	-162.6	0	0	0	0	116.3	S1617	S1617-S1619 PolarHBondContact O-N 3.37Å
1620	S	26.5	Very low	28.1	Very low	103 Å²	103	129 Å²	129	72%	0.72	75%	0.753	S	S	*	*				117.2	129.2	124.6	-69.5	0	0	0	0	115.7
1621	R	27.3	Very low	28.1	Very low	233.6 Å²	233.6	133.6 Å²	133.6	88%	0.882	76%	0.756	S	S	*	*			trans	68.7	132	131.4	-59.1	170.1	79.8	103	-2.7	114
1622	G	28.2	Very low	28	Very low	72.4 Å²	72.4	137.2 Å²	137.2	75%	0.746	76%	0.756	S	S	*	*			trans	125	78	144.6	0	0	0	0	0	114.9	Y1624	G1622-Y1624 PolarHBondContact O-N 3.18Å
1623	S	26.4	Very low	27.8	Very low	90.8 Å²	90.8	137.9 Å²	137.9	64%	0.635	75%	0.754	S	S	*	*			trans	-90.2	118.7	165.3	135.2	0	0	0	0	113.3	R1633	S1623-R1633 VanDerWaalsContact OG-CD 3.25Å; S1623-R1633 WeakPolarHBondContact OG-CD 3.5Å; S1623-R1633 PolarHBondContact OG-NE 2.78Å; S1623-R1633 PolarHBondContact OG-NH1 3Å; S1623-R1633 VanDerWaalsContact OG-NH1 3.09Å
1624	Y	27.8	Very low	27.8	Very low	192.2 Å²	192.2	138.1 Å²	138.1	75%	0.754	75%	0.753	S	S	*	*			trans	-112.3	127.4	138.4	-75.7	-82.4	0	0	0	114.1	G1622 G1626 R1633	G1622-Y1624 PolarHBondContact O-N 3.18Å; Y1624-G1626 PolarHBondContact O-N 3.39Å; Y1624-R1633 VanDerWaalsContact N-NH1 3.17Å
1625	F	29.3	Very low	27.8	Very low	159.2 Å²	159.2	140 Å²	140	70%	0.698	75%	0.751	S	S	*	*				159.2	140.6	122.4	-87.9	-103.9	0	0	0	114.7	R1632 R1633	F1625-R1632 HydrophobicContact CB-CG 3.89Å; F1625-R1632 HydrophobicContact CD1-CB 3.6Å; F1625-R1632 VanDerWaalsContact CD1-CD 3.46Å; F1625-R1632 HydrophobicContact CD1-CG 3.59Å; F1625-R1632 HydrophobicContact CD2-CB 4.43Å; F1625-R1632 HydrophobicContact CE1-CB 3.77Å; F1625-R1632 HydrophobicContact CE1-CG 4.29Å; F1625-R1632 HydrophobicContact CG-CB 3.93Å; F1625-R1632 HydrophobicContact CG-CG 3.7Å; F1625-R1632 HydrophobicContact CZ-CB 4.3Å; F1625-R1632 VanDerWaalsContact O-CZ 3.29Å; F1625-R1632 PolarHBondContact O-NE 2.9Å; F1625-R1632 PolarHBondContact O-NH2 3.43Å; F1625-R1633 HydrophobicContact CD2-CB 3.93Å; F1625-R1633 HydrophobicContact CD2-CG 4.25Å; F1625-R1633 HydrophobicContact CE2-CB 3.35Å; F1625-R1633 HydrophobicContact CE2-CG 4.12Å; F1625-R1633 HydrophobicContact CZ-CB 3.9Å
1626	G	28	Very low	28	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	75%	0.754	S	S	*	*			trans	176.9	93.6	165.7	0	0	0	0	0	117.6	Y1624 R1632	Y1624-G1626 PolarHBondContact O-N 3.39Å; G1626-R1632 WeakPolarHBondContact O-CD 3.18Å; G1626-R1632 WeakPolarHBondContact O-CG 3.39Å; G1626-R1632 PolarHBondContact O-NE 3.09Å
1627	N	28	Very low	28.1	Very low	140.4 Å²	140.4	144.1 Å²	144.1	75%	0.751	76%	0.757	S	S	*	*			trans	-19.1	139.4	153.3	-122.3	-19.6	0	0	0	113.6	G1630	N1627-G1630 VanDerWaalsContact OD1-CA 3.24Å; N1627-G1630 WeakPolarHBondContact OD1-CA 3.42Å
1628	Q	29.3	Very low	28.1	Very low	188.4 Å²	188.4	143.8 Å²	143.8	88%	0.88	76%	0.755	S	S	*	*			trans	97.7	143.1	144.6	-56.6	-172.8	19.9	0	0	116.6
1629	G	28.2	Very low	28.2	Very low	71.2 Å²	71.2	143.6 Å²	143.6	73%	0.734	75%	0.754	S	S	*	*				133.5	73.7	112.7	0	0	0	0	0	116.5
1630	G	28.4	Very low	28.3	Very low	63.8 Å²	63.8	143 Å²	143	66%	0.658	76%	0.755	S	S	*	*			trans	-138.9	175	177.6	0	0	0	0	0	115.1	N1627 L1677 H1678	N1627-G1630 VanDerWaalsContact OD1-CA 3.24Å; N1627-G1630 WeakPolarHBondContact OD1-CA 3.42Å; G1630-L1677 WeakPolarHBondContact O-CD2 3.23Å; G1630-H1678 PolarHBondContact N-CD2 2.82Å; G1630-H1678 PolarHBondContact N-NE2 3.26Å; G1630-H1678 VanDerWaalsContact N-NE2 3.12Å
1631	R	31	Very low	28.3	Very low	207.8 Å²	207.8	148.1 Å²	148.1	78%	0.784	76%	0.76	S	S	*	*			trans	156.9	112.1	156.6	-81.8	179.3	-172.2	-127.1	-1.4	113.5	R1633 R1675 S1676 L1677	R1631-R1633 PolarHBondContact O-N 3.43Å; R1631-R1675 VanDerWaalsContact NH1-C 3.29Å; R1631-R1675 VanDerWaalsContact NH1-CB 3.31Å; R1631-R1675 PolarHBondContact NH1-O 3.47Å; R1631-S1676 PolarHBondContact NH1-O 2.86Å; R1631-S1676 PolarHBondContact NH2-O 2.99Å; R1631-L1677 HydrophobicContact CG-CB 3.68Å; R1631-L1677 HydrophobicContact CG-CD1 4.35Å; R1631-L1677 HydrophobicContact CG-CD2 4.28Å; R1631-L1677 HydrophobicContact CG-CG 4.27Å
1632	R	29.1	Very low	28.3	Very low	192.4 Å²	192.4	141.2 Å²	141.2	73%	0.726	75%	0.747	S	S	*	*			trans	21.8	110.9	135.9	-62.8	176.3	175.2	-162.9	-1.7	115.1	F1625 G1626 S1676	F1625-R1632 HydrophobicContact CB-CG 3.89Å; F1625-R1632 HydrophobicContact CD1-CB 3.6Å; F1625-R1632 VanDerWaalsContact CD1-CD 3.46Å; F1625-R1632 HydrophobicContact CD1-CG 3.59Å; F1625-R1632 HydrophobicContact CD2-CB 4.43Å; F1625-R1632 HydrophobicContact CE1-CB 3.77Å; F1625-R1632 HydrophobicContact CE1-CG 4.29Å; F1625-R1632 HydrophobicContact CG-CB 3.93Å; F1625-R1632 HydrophobicContact CG-CG 3.7Å; F1625-R1632 HydrophobicContact CZ-CB 4.3Å; F1625-R1632 VanDerWaalsContact O-CZ 3.29Å; F1625-R1632 PolarHBondContact O-NE 2.9Å; F1625-R1632 PolarHBondContact O-NH2 3.43Å; G1626-R1632 WeakPolarHBondContact O-CD 3.18Å; G1626-R1632 WeakPolarHBondContact O-CG 3.39Å; G1626-R1632 PolarHBondContact O-NE 3.09Å; R1632-S1676 WeakPolarHBondContact CB-OG 3.24Å; R1632-S1676 PolarHBondContact N-OG 2.71Å; R1632-S1676 PolarHBondContact O-OG 3.44Å
1633	R	28.4	Very low	28.3	Very low	210 Å²	210	147.8 Å²	147.8	79%	0.792	75%	0.751	S	S	*	*				164.8	132.8	129.4	-78.5	176.4	172	171.8	0.4	114.1	S1623 Y1624 F1625 R1631	S1623-R1633 VanDerWaalsContact OG-CD 3.25Å; S1623-R1633 WeakPolarHBondContact OG-CD 3.5Å; S1623-R1633 PolarHBondContact OG-NE 2.78Å; S1623-R1633 PolarHBondContact OG-NH1 3Å; S1623-R1633 VanDerWaalsContact OG-NH1 3.09Å; Y1624-R1633 VanDerWaalsContact N-NH1 3.17Å; F1625-R1633 HydrophobicContact CD2-CB 3.93Å; F1625-R1633 HydrophobicContact CD2-CG 4.25Å; F1625-R1633 HydrophobicContact CE2-CB 3.35Å; F1625-R1633 HydrophobicContact CE2-CG 4.12Å; F1625-R1633 HydrophobicContact CZ-CB 3.9Å; R1631-R1633 PolarHBondContact O-N 3.43Å
1634	R	28.1	Very low	28.4	Very low	202.2 Å²	202.2	151.6 Å²	151.6	76%	0.763	76%	0.759	S	S	*	*				87	131.5	113.5	-65.6	173.1	137.9	159.5	-2.4	115.2	Y1641	R1634-Y1641 PolarHBondContact NH1-OH 3.03Å; R1634-Y1641 VanDerWaalsContact NH2-CZ 3.33Å
1635	R	28.7	Very low	28.5	Very low	205 Å²	205	147.7 Å²	147.7	77%	0.774	76%	0.755	S	S	*	*			trans	-76.3	153.7	132.3	-95.4	-176.5	173.8	165.6	-2.8	110.8	H1637 S1638	R1635-H1637 VanDerWaalsContact CD-N 3.31Å; R1635-S1638 PolarHBondContact NH1-O 2.82Å; R1635-S1638 PolarHBondContact NH2-O 3.25Å
1636	P	31.6	Very low	28.5	Very low	115.8 Å²	115.8	146.9 Å²	146.9	75%	0.752	76%	0.758	S	S	*	*			trans	-95.7	155.7	143.6	26.6	-21.4	0	0	0	111.9
1637	H	27	Very low	28.5	Very low	178.4 Å²	178.4	148.4 Å²	148.4	83%	0.826	76%	0.757	S	S	*	*			trans	-117.9	137.2	145.9	-77	-91.6	0	0	0	109.9	R1635	R1635-H1637 VanDerWaalsContact CD-N 3.31Å
1638	S	27.6	Very low	28.6	Very low	104.6 Å²	104.6	148.8 Å²	148.8	73%	0.731	76%	0.759	S	S	*	*			trans	-103.8	146.7	151.6	49.2	0	0	0	0	111.2	R1635	R1635-S1638 PolarHBondContact NH1-O 2.82Å; R1635-S1638 PolarHBondContact NH2-O 3.25Å
1639	S	27.2	Very low	28.7	Very low	115.2 Å²	115.2	146.5 Å²	146.5	81%	0.806	75%	0.751	S	S	*	*			trans	57.8	130.6	134.7	68.2	0	0	0	0	113.4
1640	A	27.9	Very low	28.9	Very low	87.4 Å²	87.4	149.7 Å²	149.7	72%	0.722	75%	0.751	S	S	*	*			cis	-140	142.5	30.8	0	0	0	0	0	109
1641	Y	26.3	Very low	29.1	Very low	210.4 Å²	210.4	153.6 Å²	153.6	83%	0.825	76%	0.757	S	S	*	*			trans	156.6	142	131	-107.3	-91.7	0	0	0	113.1	R1634	R1634-Y1641 PolarHBondContact NH1-OH 3.03Å; R1634-Y1641 VanDerWaalsContact NH2-CZ 3.33Å
1642	S	27	Very low	29.2	Very low	88.4 Å²	88.4	150.5 Å²	150.5	62%	0.618	76%	0.755	S	S	*	*			trans	-74.5	141.6	176.7	50.3	0	0	0	0	114.7
1643	Y	28.5	Very low	29.4	Very low	210.2 Å²	210.2	147.5 Å²	147.5	82%	0.824	76%	0.761	S	S	*	*			trans	-111	124.2	135.1	-88.2	-83.4	0	0	0	113.5	K1223 N1225 V1645	K1223-Y1643 HydrophobicContact CG-CD1 4.01Å; N1225-Y1643 WeakPolarHBondContact OD1-CE1 3.29Å; N1225-Y1643 PolarHBondContact OD1-OH 3.33Å; Y1643-V1645 PolarHBondContact O-N 3.29Å
1644	E	29.4	Very low	29.6	Very low	171.4 Å²	171.4	140.2 Å²	140.2	80%	0.801	75%	0.751	S	S	*	*			trans	-112.3	150.7	147.6	-81.6	175.7	171.6	0	0	110.3	G1224	G1224-E1644 VanDerWaalsContact O-O 3.1Å
1645	V	30.1	Very low	29.6	Very low	111.4 Å²	111.4	137.2 Å²	137.2	68%	0.675	75%	0.749	S	S	*	*			trans	-135	132.7	159.5	153.4	0	0	0	0	109.8	T1222 K1223 G1224 Y1643	T1222-V1645 WeakPolarHBondContact O-CA 3.37Å; T1222-V1645 WeakPolarHBondContact O-CB 3.24Å; T1222-V1645 WeakPolarHBondContact O-CG1 3.4Å; T1222-V1645 PolarHBondContact O-N 3.23Å; K1223-V1645 VanDerWaalsContact C-CB 3.45Å; K1223-V1645 WeakPolarHBondContact O-CB 3.42Å; G1224-V1645 WeakPolarHBondContact O-CG2 3.34Å; Y1643-V1645 PolarHBondContact O-N 3.29Å
1646	N	29.2	Very low	29.6	Very low	142.2 Å²	142.2	135.8 Å²	135.8	76%	0.76	75%	0.745	S	S	*	*			trans	66.1	121.9	156	-65.9	-19.8	0	0	0	116.5	L1648	N1646-L1648 HydrophobicContact CB-CB 4.42Å; N1646-L1648 HydrophobicContact CB-CD1 4.4Å
1647	S	28.6	Very low	29.6	Very low	100.6 Å²	100.6	137.5 Å²	137.5	70%	0.703	74%	0.743	S	S	*	*				157	129.5	55.9	92.9	0	0	0	0	112.4
1648	L	28.8	Very low	29.8	Very low	148.2 Å²	148.2	134.2 Å²	134.2	78%	0.776	74%	0.74	S	S	*	*			trans	114.5	116.1	141.2	-113.2	115.2	0	0	0	112.5	N1646	N1646-L1648 HydrophobicContact CB-CB 4.42Å; N1646-L1648 HydrophobicContact CB-CD1 4.4Å
1649	I	32.2	Very low	30	Very low	140 Å²	140	134.3 Å²	134.3	72%	0.718	74%	0.739	S	S	*	*			trans	84.3	112.4	133.1	-63.8	170.7	0	0	0	111.6
1650	D	31.4	Very low	30.1	Very low	137.4 Å²	137.4	135.7 Å²	135.7	74%	0.735	74%	0.737	S	S	*	*				-126.8	161.7	51.1	-85.1	-38.3	0	0	0	114.3	L1652	D1650-L1652 VanDerWaalsContact OD1-CD1 3.25Å; D1650-L1652 WeakPolarHBondContact OD1-CD1 2.95Å
1651	D	33.5	Very low	30.1	Very low	145.6 Å²	145.6	136.7 Å²	136.7	78%	0.779	74%	0.738	S	S	*	*			trans	117.5	117.6	163.1	-91.2	-13.8	0	0	0	118.2	P1653	D1651-P1653 WeakPolarHBondContact O-CD 3.18Å
1652	L	34	Very low	30.2	Very low	143.6 Å²	143.6	131.9 Å²	131.9	75%	0.752	74%	0.736	S	S	*	*			trans	33	148.5	156.4	-104.2	69.5	0	0	0	115.3	D1650 G1654	D1650-L1652 VanDerWaalsContact OD1-CD1 3.25Å; D1650-L1652 WeakPolarHBondContact OD1-CD1 2.95Å; L1652-G1654 PolarHBondContact O-N 2.77Å
1653	P	32.6	Very low	30.2	Very low	129.4 Å²	129.4	132.9 Å²	132.9	84%	0.84	74%	0.743	S	S	*	*			trans	-108.6	145.2	168.6	38.8	-30.2	0	0	0	114.4	D1651	D1651-P1653 WeakPolarHBondContact O-CD 3.18Å
1654	G	31.9	Very low	30.1	Very low	57.2 Å²	57.2	127.8 Å²	127.8	59%	0.59	74%	0.738	S	S	*	*			trans	165.9	140.8	160.8	0	0	0	0	0	112.8	Y1109 L1652	Y1109-G1654 WeakPolarHBondContact CE2-O 3.47Å; L1652-G1654 PolarHBondContact O-N 2.77Å
1655	L	28.5	Very low	30	Very low	139.8 Å²	139.8	126.5 Å²	126.5	73%	0.732	74%	0.735	S	S	*	*				147.9	143.9	78.9	-103.9	128.2	0	0	0	111.4	Y1109 T1110	Y1109-L1655 HydrophobicContact CD1-CB 3.89Å; Y1109-L1655 HydrophobicContact CD1-CD2 3.6Å; Y1109-L1655 HydrophobicContact CD1-CG 4.39Å; Y1109-L1655 HydrophobicContact CD2-CB 4.03Å; Y1109-L1655 HydrophobicContact CE1-CB 4Å; Y1109-L1655 HydrophobicContact CE1-CD2 4.18Å; Y1109-L1655 WeakPolarHBondContact CE1-O 2.6Å; Y1109-L1655 HydrophobicContact CE2-CB 4.13Å; Y1109-L1655 HydrophobicContact CG-CB 3.91Å; Y1109-L1655 HydrophobicContact CG-CD2 4.03Å; Y1109-L1655 VanDerWaalsContact CZ-O 3.27Å; Y1109-L1655 PolarHBondContact OH-N 3.47Å; Y1109-L1655 PolarHBondContact OH-O 2.65Å; Y1109-L1655 VanDerWaalsContact OH-O 3.1Å; T1110-L1655 HydrophobicContact CG2-CD2 3.4Å; T1110-L1655 WeakPolarHBondContact OG1-CD1 3Å; T1110-L1655 WeakPolarHBondContact OG1-CD2 3.12Å
1656	Y	29.2	Very low	29.8	Very low	174.6 Å²	174.6	128.3 Å²	128.3	69%	0.685	74%	0.739	S	S	*	*			trans	149.5	132	142.4	-112.1	-117.9	0	0	0	115	T1110 T1111 H1112	T1110-Y1656 HydrophobicContact CG2-CD2 4.08Å; T1110-Y1656 HydrophobicContact CG2-CE2 3.89Å; T1111-Y1656 HydrophobicContact CG2-CE2 4.35Å; H1112-Y1656 PolarHBondContact CE1-OH 3.35Å; H1112-Y1656 PolarHBondContact NE2-OH 2.91Å; H1112-Y1656 VanDerWaalsContact NE2-OH 3.15Å
1657	E	31.3	Very low	29.7	Very low	151 Å²	151	130 Å²	130	71%	0.706	74%	0.743	S	S	*	*			trans	58.9	125.3	134	-77.9	-177.3	172.7	0	0	117.9
1658	S	30.1	Very low	29.7	Very low	110.2 Å²	110.2	130.5 Å²	130.5	77%	0.771	75%	0.746	S	S	*	*			trans	-90	159.4	157	-145.3	0	0	0	0	110.8
1659	P	33	Very low	29.7	Very low	106.6 Å²	106.6	126.4 Å²	126.4	69%	0.692	74%	0.739	S	S	*	*				-147.7	158.8	97.6	37.6	-20.1	0	0	0	116.8
1660	N	27.9	Very low	29.6	Very low	143.4 Å²	143.4	130.3 Å²	130.3	77%	0.767	75%	0.747	S	S	*	*			trans	50.4	132.1	152.1	-53.6	-31.5	0	0	0	118.9
1661	S	29	Very low	29.3	Very low	108.6 Å²	108.6	128.4 Å²	128.4	76%	0.759	74%	0.744	S	S	*	*			cis	171.4	145.6	44.1	-113.1	0	0	0	0	113.9
1662	S	28.3	Very low	29	Very low	110.8 Å²	110.8	130.6 Å²	130.6	78%	0.775	74%	0.743	S	S	*	*			trans	59.6	134.8	165.9	-56.2	0	0	0	0	118.3
1663	S	26.5	Very low	28.7	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	74%	0.741	S	S	*	*				117.3	141.4	73.2	66.8	0	0	0	0	114.3
1664	S	26.3	Very low	28.5	Very low	102.2 Å²	102.2	132 Å²	132	72%	0.715	74%	0.738	S	S	*	*				148	164.4	54.6	64.9	0	0	0	0	112.4
1665	I	27.1	Very low	28.4	Very low	143.8 Å²	143.8	139.9 Å²	139.9	74%	0.737	75%	0.75	S	S	*	*				165.8	131.2	54.8	-90.1	167.2	0	0	0	112.8
1666	I	27.5	Very low	28.4	Very low	150.2 Å²	150.2	137.7 Å²	137.7	77%	0.77	75%	0.746	S	S	*	*			trans	84.1	122.2	137.4	-64.1	165.4	0	0	0	114.1
1667	Q	26.6	Very low	28.4	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	75%	0.748	S	S	*	*				-150.7	134.2	119.8	-121	168.2	-5	0	0	111.2	G1669	Q1667-G1669 PolarHBondContact O-N 3.29Å
1668	S	28	Very low	28.2	Very low	111.2 Å²	111.2	135.6 Å²	135.6	78%	0.778	75%	0.746	S	S	*	*			trans	-80.4	130	155.1	58.8	0	0	0	0	113.9	Y1670	S1668-Y1670 PolarHBondContact O-N 3.25Å
1669	G	28.6	Very low	28.2	Very low	61.4 Å²	61.4	136.5 Å²	136.5	63%	0.633	74%	0.742	S	S	*	*			cis	156.3	92.9	20.9	0	0	0	0	0	114.7	Q1667	Q1667-G1669 PolarHBondContact O-N 3.29Å
1670	Y	29.6	Very low	28.2	Very low	221.6 Å²	221.6	137.9 Å²	137.9	87%	0.869	75%	0.749	S	S	*	*			trans	23.7	120.5	163	-61.8	-80	0	0	0	118.4	S1668 Y1672	S1668-Y1670 PolarHBondContact O-N 3.25Å; Y1670-Y1672 HydrophobicContact CD1-CD2 4.18Å; Y1670-Y1672 HydrophobicContact CD1-CE2 4.04Å; Y1670-Y1672 PolarHBondContact O-N 2.87Å
1671	S	26.4	Very low	28.2	Very low	97.2 Å²	97.2	140.7 Å²	140.7	68%	0.68	75%	0.75	S	S	*	*				-141.3	131.5	97.8	56.4	0	0	0	0	109.9
1672	Y	27.3	Very low	28.4	Very low	191.8 Å²	191.8	140.6 Å²	140.6	75%	0.752	75%	0.747	S	S	*	*			trans	-136.5	111.8	153.4	-86.2	-86.3	0	0	0	114.4	Y1670 H1674	Y1670-Y1672 HydrophobicContact CD1-CD2 4.18Å; Y1670-Y1672 HydrophobicContact CD1-CE2 4.04Å; Y1670-Y1672 PolarHBondContact O-N 2.87Å; Y1672-H1674 AromaticContact CD1-CD2 3.96Å; Y1672-H1674 AromaticContact CD1-CE1 3.59Å; Y1672-H1674 AromaticContact CD1-NE2 3.48Å; Y1672-H1674 WeakPolarHBondContact CD1-NE2 2.51Å; Y1672-H1674 AromaticContact CE1-CE1 3.92Å
1673	N	27.6	Very low	28.5	Very low	135.2 Å²	135.2	140.9 Å²	140.9	72%	0.723	74%	0.74	S	S	*	*			trans	-17.1	126.3	132.3	-80.5	-44.4	0	0	0	114.5	R1675	N1673-R1675 PolarHBondContact O-N 3.24Å; N1673-R1675 VanDerWaalsContact O-N 3.14Å
1674	H	28.1	Very low	28.6	Very low	167.2 Å²	167.2	144.3 Å²	144.3	77%	0.774	74%	0.736	S	S	*	*			trans	-83.4	130.7	166.3	-67.1	-70	0	0	0	113	Y1672	Y1672-H1674 AromaticContact CD1-CD2 3.96Å; Y1672-H1674 AromaticContact CD1-CE1 3.59Å; Y1672-H1674 AromaticContact CD1-NE2 3.48Å; Y1672-H1674 WeakPolarHBondContact CD1-NE2 2.51Å; Y1672-H1674 AromaticContact CE1-CE1 3.92Å
1675	R	28.9	Very low	28.8	Very low	224.2 Å²	224.2	149.3 Å²	149.3	85%	0.846	74%	0.741	S	S	*	*			trans	72	106.4	155	-75.7	179.3	172.7	-122.5	-0.7	114.1	R1631 N1673	R1631-R1675 VanDerWaalsContact NH1-C 3.29Å; R1631-R1675 VanDerWaalsContact NH1-CB 3.31Å; R1631-R1675 PolarHBondContact NH1-O 3.47Å; N1673-R1675 PolarHBondContact O-N 3.24Å; N1673-R1675 VanDerWaalsContact O-N 3.14Å
1676	S	28.4	Very low	28.9	Very low	92.8 Å²	92.8	149.4 Å²	149.4	65%	0.649	74%	0.741	S	S	*	*				43.9	117.4	102.2	-166.8	0	0	0	0	117.6	R1631 R1632 H1678	R1631-S1676 PolarHBondContact NH1-O 2.86Å; R1631-S1676 PolarHBondContact NH2-O 2.99Å; R1632-S1676 WeakPolarHBondContact CB-OG 3.24Å; R1632-S1676 PolarHBondContact N-OG 2.71Å; R1632-S1676 PolarHBondContact O-OG 3.44Å; S1676-H1678 PolarHBondContact O-N 2.83Å
1677	L	29	Very low	29	Very low	136 Å²	136	150.6 Å²	150.6	71%	0.712	74%	0.741	S	S	*	*			trans	-177.3	109.2	148.9	-99.5	165	0	0	0	110.6	G1630 R1631	G1630-L1677 WeakPolarHBondContact O-CD2 3.23Å; R1631-L1677 HydrophobicContact CG-CB 3.68Å; R1631-L1677 HydrophobicContact CG-CD1 4.35Å; R1631-L1677 HydrophobicContact CG-CD2 4.28Å; R1631-L1677 HydrophobicContact CG-CG 4.27Å
1678	H	28.8	Very low	29	Very low	146.4 Å²	146.4	146.3 Å²	146.3	68%	0.678	73%	0.731	S	S	*	*			trans	-154.8	142.8	130.2	-89.4	-60.8	0	0	0	113.2	G1630 S1676	G1630-H1678 PolarHBondContact N-CD2 2.82Å; G1630-H1678 PolarHBondContact N-NE2 3.26Å; G1630-H1678 VanDerWaalsContact N-NE2 3.12Å; S1676-H1678 PolarHBondContact O-N 2.83Å
1679	D	29.8	Very low	29.1	Very low	128.4 Å²	128.4	148.9 Å²	148.9	69%	0.687	73%	0.728	S	S	*	*			trans	50	118.2	161.2	-47.7	-36.5	0	0	0	118
1680	V	31.8	Very low	29.1	Very low	136 Å²	136	151.6 Å²	151.6	82%	0.824	73%	0.728	S	S	*	*			trans	-174.8	115.3	137.1	167.9	0	0	0	0	109.8
1681	Y	27.5	Very low	29.2	Very low	201.8 Å²	201.8	147.4 Å²	147.4	79%	0.791	72%	0.721	S	S	*	*			trans	-47.2	150.7	164.7	-93.7	-105.5	0	0	0	115.6
1682	P	33.9	Very low	29.4	Very low	107.6 Å²	107.6	149 Å²	149	70%	0.699	72%	0.721	S	S	*	*			trans	-108.1	138.7	158.3	36.9	-26.3	0	0	0	113.3
1683	D	30.4	Very low	29.6	Very low	117.8 Å²	117.8	146.1 Å²	146.1	63%	0.63	72%	0.719	S	S	*	*			trans	-142	142.1	163.9	-98.3	-37.5	0	0	0	114	Y1712	D1683-Y1712 PolarHBondContact OD2-OH 3.09Å
1684	R	29	Very low	29.9	Very low	180 Å²	180	146.6 Å²	146.6	68%	0.679	72%	0.722	S	S	*	*			trans	79.1	129.4	138.3	-66.4	169.8	-85.8	-146.4	-6	115.1	I1686 Y1712	R1684-I1686 HydrophobicContact CB-CB 3.98Å; R1684-I1686 HydrophobicContact CB-CG1 4.31Å; R1684-I1686 HydrophobicContact CG-CB 3.81Å; R1684-I1686 HydrophobicContact CG-CD1 3.9Å; R1684-I1686 HydrophobicContact CG-CG1 3.83Å; R1684-I1686 PolarHBondContact O-N 3.12Å; R1684-Y1712 PolarHBondContact NH2-OH 3.37Å
1685	Y	29.3	Very low	30.3	Very low	207.2 Å²	207.2	144.8 Å²	144.8	81%	0.813	72%	0.718	S	S	*	*				-167	119.2	97	-88.4	-72.7	0	0	0	115.5	H1730	Y1685-H1730 PolarHBondContact OH-NE2 3.08Å
1686	I	30.8	Very low	30.5	Very low	144.4 Å²	144.4	139.7 Å²	139.7	74%	0.741	71%	0.707	S	S	*	*			trans	-135.9	114.2	152.1	-64.1	151.5	0	0	0	110.6	R1684	R1684-I1686 HydrophobicContact CB-CB 3.98Å; R1684-I1686 HydrophobicContact CB-CG1 4.31Å; R1684-I1686 HydrophobicContact CG-CB 3.81Å; R1684-I1686 HydrophobicContact CG-CD1 3.9Å; R1684-I1686 HydrophobicContact CG-CG1 3.83Å; R1684-I1686 PolarHBondContact O-N 3.12Å
1687	K	29.7	Very low	30.6	Very low	175.8 Å²	175.8	140 Å²	140	76%	0.764	70%	0.702	S	S	*	*				108	128.8	97.2	-135.3	175.6	-178.9	-179.8	0	113.9	F1689	K1687-F1689 HydrophobicContact CD-CE2 4.13Å; K1687-F1689 HydrophobicContact CD-CZ 4.43Å; K1687-F1689 HydrophobicContact CG-CD2 4.34Å; K1687-F1689 HydrophobicContact CG-CE2 3.98Å
1688	S	25.7	Very low	30.7	Very low	88.8 Å²	88.8	142.8 Å²	142.8	62%	0.621	70%	0.704	S	S	*	*			trans	-82.4	143.5	161.7	49.9	0	0	0	0	112
1689	F	29.6	Very low	30.7	Very low	165 Å²	165	144.9 Å²	144.9	72%	0.724	71%	0.706	S	S	*	*			trans	-171.5	132	142.1	-78.8	-66.1	0	0	0	109.1	K1687	K1687-F1689 HydrophobicContact CD-CE2 4.13Å; K1687-F1689 HydrophobicContact CD-CZ 4.43Å; K1687-F1689 HydrophobicContact CG-CD2 4.34Å; K1687-F1689 HydrophobicContact CG-CE2 3.98Å
1690	N	29.5	Very low	30.8	Very low	119.2 Å²	119.2	145.2 Å²	145.2	64%	0.637	71%	0.706	S	S	*	*				-174.2	144.9	77.8	-80.9	-3.6	0	0	0	113.1	K1819	N1690-K1819 VanDerWaalsContact ND2-CD 3.28Å; N1690-K1819 WeakPolarHBondContact ND2-CD 3.41Å; N1690-K1819 PolarHBondContact ND2-NZ 2.95Å
1691	D	31.1	Very low	30.7	Very low	133.2 Å²	133.2	144.6 Å²	144.6	71%	0.712	70%	0.699	S	S	*	*			trans	123.8	137.1	142.4	-66.2	-25.8	0	0	0	113.1
1692	N	31.1	Very low	30.8	Very low	129.8 Å²	129.8	143.7 Å²	143.7	69%	0.694	70%	0.699	S	S	*	*			cis	169.5	162.8	11.2	-71.7	-43.9	0	0	0	112.7
1693	D	32.1	Very low	30.6	Very low	131 Å²	131	147.4 Å²	147.4	70%	0.701	70%	0.704	S	S	*	*			trans	68	116.9	153.2	-43.1	-36.2	0	0	0	116.1	K1819	D1693-K1819 WeakPolarHBondContact OD1-CE 3.31Å; D1693-K1819 IonicContact OD1-NZ 2.67Å; D1693-K1819 PolarHBondContact OD1-NZ 2.97Å; D1693-K1819 WeakPolarHBondContact OD2-CE 3.37Å; D1693-K1819 IonicContact OD2-NZ 2.6Å; D1693-K1819 PolarHBondContact OD2-NZ 3.41Å
1694	D	34	Very low	30.7	Very low	147 Å²	147	147 Å²	147	79%	0.786	71%	0.708	S	S	*	*			trans	108.9	123.5	132.8	-74	-23.2	0	0	0	117.3	D1696	D1694-D1696 PolarHBondContact O-N 3.39Å
1695	D	34.7	Very low	30.6	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	71%	0.713	S	S	*	*			trans	80.1	112.2	150	-95	-19.3	0	0	0	116.9	H1734 P1735 Q1736	D1695-H1734 IonicContact OD1-CE1 2.91Å; D1695-H1734 IonicContact OD1-CG 2.67Å; D1695-H1734 IonicContact OD1-ND1 3.08Å; D1695-H1734 PolarHBondContact OD1-ND1 3.14Å; D1695-H1734 VanDerWaalsContact OD2-C 3.23Å; D1695-H1734 WeakPolarHBondContact OD2-CA 3.48Å; D1695-H1734 IonicContact OD2-ND1 3.53Å; D1695-P1735 WeakPolarHBondContact OD1-CA 3.43Å; D1695-Q1736 WeakPolarHBondContact O-CA 3.44Å; D1695-Q1736 WeakPolarHBondContact O-CB 3.39Å; D1695-Q1736 PolarHBondContact O-N 3.35Å; D1695-Q1736 VanDerWaalsContact O-N 3.09Å; D1695-Q1736 PolarHBondContact OD1-N 3.16Å; D1695-Q1736 VanDerWaalsContact OD1-N 3.09Å
1696	D	34.2	Very low	30.6	Very low	116.8 Å²	116.8	138.4 Å²	138.4	63%	0.625	71%	0.706	S	S	*	*				95.2	150.8	126.6	-124.7	-1.8	0	0	0	121	D1694 K1737 D1738 R1739	D1694-D1696 PolarHBondContact O-N 3.39Å; D1696-K1737 WeakPolarHBondContact OD2-CA 3.32Å; D1696-K1737 PolarHBondContact OD2-N 2.6Å; D1696-K1737 VanDerWaalsContact OD2-N 3.11Å; D1696-D1738 WeakPolarHBondContact OD1-CB 3.43Å; D1696-D1738 VanDerWaalsContact OD2-CB 3.29Å; D1696-D1738 WeakPolarHBondContact OD2-CB 3.35Å; D1696-R1739 PolarHBondContact O-NH2 3.26Å; D1696-R1739 IonicContact OD1-NH2 3.86Å; D1696-R1739 PolarHBondContact OD1-NH2 2.8Å
1697	N	29.6	Very low	30.7	Very low	99.8 Å²	99.8	140.7 Å²	140.7	53%	0.534	71%	0.71	S	S	.	*			trans	58.3	121.1	152.9	-78.4	-50	0	0	0	119.3	Q1736 K1737 D1738 R1739	N1697-Q1736 CarbonylContact C-O 3.26Å; N1697-Q1736 WeakPolarHBondContact CA-O 3.13Å; N1697-Q1736 PolarHBondContact N-O 3Å; N1697-K1737 PolarHBondContact O-NZ 3.1Å; N1697-D1738 WeakPolarHBondContact CA-OD1 3.05Å; N1697-R1739 PolarHBondContact ND2-NH1 3.02Å
1698	Y	31.6	Very low	30.7	Very low	194.8 Å²	194.8	136.7 Å²	136.7	76%	0.764	71%	0.705	S	S	*	*				-132.3	102.7	100	-93.4	-81.3	0	0	0	114.2	K1737 D1738	Y1698-K1737 WeakPolarHBondContact O-CG 3.42Å; Y1698-D1738 VanDerWaalsContact N-CA 3.26Å; Y1698-D1738 PolarHBondContact N-OD1 3.41Å
1699	R	28.4	Very low	30.9	Very low	190.2 Å²	190.2	139.4 Å²	139.4	72%	0.718	71%	0.712	S	S	*	*			trans	94.6	146.8	132.5	-110.8	-178.5	-177.6	-171.3	3.8	115.9	D1738 R1739	R1699-D1738 CarbonylContact C-O 3.06Å; R1699-D1738 WeakPolarHBondContact CA-O 3.21Å; R1699-D1738 WeakPolarHBondContact CB-O 3.24Å; R1699-D1738 VanDerWaalsContact N-N 3.18Å; R1699-D1738 PolarHBondContact N-O 3.35Å; R1699-D1738 PolarHBondContact O-N 3.16Å; R1699-R1739 WeakPolarHBondContact CB-O 3.33Å; R1699-R1739 WeakPolarHBondContact CD-O 3.46Å
1700	I	32.1	Very low	31	Very low	134.4 Å²	134.4	138.2 Å²	138.2	69%	0.689	71%	0.712	S	S	*	*				116.3	135.3	105	-82.2	170.4	0	0	0	115.4	R1739	I1700-R1739 VanDerWaalsContact CD1-O 3.27Å; I1700-R1739 WeakPolarHBondContact CD1-O 3.22Å
1701	N	29.4	Very low	31.1	Very low	124.8 Å²	124.8	140.6 Å²	140.6	67%	0.667	72%	0.717	S	S	*	*				-171.4	144.5	118.8	-88.3	-21.2	0	0	0	118.4	K1703	N1701-K1703 PolarHBondContact O-N 3.25Å
1702	F	30.8	Very low	31	Very low	182.6 Å²	182.6	143.4 Å²	143.4	80%	0.801	72%	0.719	S	S	*	*			trans	51.1	117.4	144	-73	-75.8	0	0	0	115.6	P1704	F1702-P1704 WeakPolarHBondContact O-CD 3.09Å
1703	K	29.9	Very low	31	Very low	185.4 Å²	185.4	142 Å²	142	81%	0.806	72%	0.72	S	S	*	*				102.3	136.9	89	-109.7	-174.1	-173.1	177.6	0	113.7	N1701	N1701-K1703 PolarHBondContact O-N 3.25Å
1704	P	32.5	Very low	30.8	Very low	109.6 Å²	109.6	146 Å²	146	71%	0.712	73%	0.726	S	S	*	*				-119.1	174	-65.2	37.6	-27.5	0	0	0	114.2	F1702	F1702-P1704 WeakPolarHBondContact O-CD 3.09Å
1705	S	26.5	Very low	30.5	Very low	111.8 Å²	111.8	144.9 Å²	144.9	78%	0.782	72%	0.72	S	S	*	*			trans	66.8	148.1	162.8	80.8	0	0	0	0	116.7
1706	S	29.9	Very low	30.3	Very low	93.8 Å²	93.8	143.4 Å²	143.4	66%	0.656	72%	0.72	S	S	*	*			cis	-164.4	157.2	10.7	21.3	0	0	0	0	113.5
1707	K	32.5	Very low	30.1	Very low	193.2 Å²	193.2	147.5 Å²	147.5	84%	0.84	73%	0.727	S	S	*	*			trans	87.3	127.4	161.1	-67	158.5	-174.6	176.7	0	114.3
1708	S	28.8	Very low	30.2	Very low	92.2 Å²	92.2	148 Å²	148	65%	0.645	74%	0.735	S	S	*	*			cis	132.4	122.3	19.5	64.4	0	0	0	0	113.4
1709	N	31.7	Very low	30	Very low	145.8 Å²	145.8	148 Å²	148	78%	0.78	74%	0.735	S	S	*	*			trans	138.1	137.9	130.4	-73.3	-19.7	0	0	0	115.5
1710	L	31.2	Very low	30	Very low	138.6 Å²	138.6	148.6 Å²	148.6	73%	0.726	74%	0.738	S	S	*	*			trans	86.2	135.5	134.3	-100.3	139	0	0	0	114.9	Y1712	L1710-Y1712 HydrophobicContact CD2-CD2 4.08Å; L1710-Y1712 HydrophobicContact CD2-CE2 4.02Å
1711	K	31.8	Very low	29.7	Very low	170 Å²	170	146.5 Å²	146.5	74%	0.739	74%	0.735	S	S	*	*				154.3	143.2	99.8	-89.6	178.7	176.4	-175.3	0	113.7
1712	Y	28	Very low	29.6	Very low	192.8 Å²	192.8	148.8 Å²	148.8	76%	0.756	74%	0.735	S	S	*	*				28.2	136.4	94.7	-69.4	-96.2	0	0	0	112.9	D1683 R1684 L1710	D1683-Y1712 PolarHBondContact OD2-OH 3.09Å; R1684-Y1712 PolarHBondContact NH2-OH 3.37Å; L1710-Y1712 HydrophobicContact CD2-CD2 4.08Å; L1710-Y1712 HydrophobicContact CD2-CE2 4.02Å
1713	S	30.9	Very low	29.5	Very low	100.4 Å²	100.4	144.8 Å²	144.8	70%	0.702	73%	0.73	S	S	*	*			cis	-169.7	154.4	40.2	-96.8	0	0	0	0	112.8
1714	Y	27.5	Very low	29.5	Very low	214.8 Å²	214.8	144.3 Å²	144.3	84%	0.842	73%	0.731	S	S	*	*			trans	-30	146.2	156.2	-72.6	-102.6	0	0	0	112.7
1715	D	29.5	Very low	29.2	Very low	122.4 Å²	122.4	143.4 Å²	143.4	66%	0.655	73%	0.733	S	S	*	*				-167.4	137.7	56	-162	12.7	0	0	0	111.1	R1717	D1715-R1717 HydrophobicContact CB-CG 4.31Å; D1715-R1717 PolarHBondContact O-N 3.5Å; D1715-R1717 VanDerWaalsContact OD1-CG 3.32Å; D1715-R1717 WeakPolarHBondContact OD1-CG 3.4Å; D1715-R1717 IonicContact OD1-CZ 3.45Å; D1715-R1717 PolarHBondContact OD1-N 3.05Å; D1715-R1717 IonicContact OD1-NE 3.35Å; D1715-R1717 PolarHBondContact OD1-NE 2.76Å; D1715-R1717 IonicContact OD1-NH2 3.23Å; D1715-R1717 WeakPolarHBondContact OD2-CG 3.22Å; D1715-R1717 IonicContact OD2-CZ 3.02Å; D1715-R1717 VanDerWaalsContact OD2-CZ 3.24Å; D1715-R1717 IonicContact OD2-NE 3.31Å; D1715-R1717 PolarHBondContact OD2-NE 3.3Å; D1715-R1717 IonicContact OD2-NH2 3.25Å; D1715-R1717 PolarHBondContact OD2-NH2 2.82Å
1716	S	28.7	Very low	29.3	Very low	98.2 Å²	98.2	143.2 Å²	143.2	69%	0.687	73%	0.731	S	S	*	*			trans	-116.3	91.7	162.3	40.8	0	0	0	0	112.8
1717	R	30.2	Very low	29.4	Very low	201.4 Å²	201.4	144.8 Å²	144.8	76%	0.76	74%	0.737	S	S	*	*			trans	-129.5	147.6	163.7	-71.1	163.8	-163.8	-128.7	0.2	113.7	D1715 Y1719	D1715-R1717 HydrophobicContact CB-CG 4.31Å; D1715-R1717 PolarHBondContact O-N 3.5Å; D1715-R1717 VanDerWaalsContact OD1-CG 3.32Å; D1715-R1717 WeakPolarHBondContact OD1-CG 3.4Å; D1715-R1717 IonicContact OD1-CZ 3.45Å; D1715-R1717 PolarHBondContact OD1-N 3.05Å; D1715-R1717 IonicContact OD1-NE 3.35Å; D1715-R1717 PolarHBondContact OD1-NE 2.76Å; D1715-R1717 IonicContact OD1-NH2 3.23Å; D1715-R1717 WeakPolarHBondContact OD2-CG 3.22Å; D1715-R1717 IonicContact OD2-CZ 3.02Å; D1715-R1717 VanDerWaalsContact OD2-CZ 3.24Å; D1715-R1717 IonicContact OD2-NE 3.31Å; D1715-R1717 PolarHBondContact OD2-NE 3.3Å; D1715-R1717 IonicContact OD2-NH2 3.25Å; D1715-R1717 PolarHBondContact OD2-NH2 2.82Å; R1717-Y1719 HydrophobicContact CB-CE1 4.3Å; R1717-Y1719 WeakPolarHBondContact O-CD1 3.49Å; R1717-Y1719 VanDerWaalsContact O-CE1 3.31Å; R1717-Y1719 WeakPolarHBondContact O-CE1 3.31Å; R1717-Y1719 WeakPolarHBondContact O-CE2 3.44Å; R1717-Y1719 VanDerWaalsContact O-CZ 3.31Å
1718	P	32.9	Very low	29.3	Very low	110.6 Å²	110.6	140.3 Å²	140.3	72%	0.718	73%	0.73	S	S	*	*			trans	-116	177.8	178.1	39.2	-30.5	0	0	0	113	R1720 Q1736 K1737	P1718-R1720 PolarHBondContact O-N 2.95Å; P1718-Q1736 WeakPolarHBondContact O-CA 3.38Å; P1718-Q1736 VanDerWaalsContact O-CG 3.24Å; P1718-Q1736 WeakPolarHBondContact O-CG 3.24Å; P1718-K1737 PolarHBondContact O-N 2.79Å
1719	Y	26.1	Very low	29.4	Very low	194.4 Å²	194.4	143.6 Å²	143.6	76%	0.762	74%	0.735	S	S	*	*			trans	14.6	99.7	154.9	-83.3	-85.6	0	0	0	115.4	R1717 H1734 P1735 Q1736	R1717-Y1719 HydrophobicContact CB-CE1 4.3Å; R1717-Y1719 WeakPolarHBondContact O-CD1 3.49Å; R1717-Y1719 VanDerWaalsContact O-CE1 3.31Å; R1717-Y1719 WeakPolarHBondContact O-CE1 3.31Å; R1717-Y1719 WeakPolarHBondContact O-CE2 3.44Å; R1717-Y1719 VanDerWaalsContact O-CZ 3.31Å; Y1719-H1734 AromaticContact CD2-ND1 3.89Å; Y1719-H1734 HydrophobicContact CE1-CB 4.48Å; Y1719-H1734 HydrophobicContact CE2-CB 4.27Å; Y1719-H1734 AromaticContact CE2-CD2 3.84Å; Y1719-H1734 AromaticContact CE2-CE1 3.47Å; Y1719-H1734 VanDerWaalsContact CE2-CE1 3.47Å; Y1719-H1734 WeakPolarHBondContact CE2-CE1 3.46Å; Y1719-H1734 AromaticContact CE2-CG 3.58Å; Y1719-H1734 AromaticContact CE2-ND1 3.32Å; Y1719-H1734 VanDerWaalsContact CE2-ND1 3.32Å; Y1719-H1734 WeakPolarHBondContact CE2-ND1 3Å; Y1719-H1734 AromaticContact CE2-NE2 3.75Å; Y1719-H1734 AromaticContact CZ-CD2 3.62Å; Y1719-H1734 AromaticContact CZ-CG 3.67Å; Y1719-H1734 AromaticContact CZ-ND1 3.9Å; Y1719-H1734 AromaticContact CZ-NE2 3.83Å; Y1719-H1734 PolarHBondContact OH-CD2 2.77Å; Y1719-H1734 PolarHBondContact OH-NE2 2.82Å; Y1719-P1735 CarbonylContact C-O 3.54Å; Y1719-P1735 WeakPolarHBondContact CA-O 3.42Å; Y1719-P1735 WeakPolarHBondContact CB-O 3.38Å; Y1719-P1735 VanDerWaalsContact CD1-C 3.47Å; Y1719-P1735 WeakPolarHBondContact CD1-O 3.49Å; Y1719-P1735 VanDerWaalsContact CG-O 3.28Å; Y1719-P1735 PolarHBondContact N-O 2.71Å; Y1719-P1735 VanDerWaalsContact N-O 3.08Å; Y1719-Q1736 HydrophobicContact CD1-CB 4.44Å
1720	R	29.1	Very low	29.3	Very low	204 Å²	204	143 Å²	143	77%	0.77	73%	0.727	S	S	*	*			trans	-163.6	124.8	148.7	-98.2	-171.2	160.4	-122.2	-3.8	113.3	P1718 Y1722 P1735 Q1736 K1737	P1718-R1720 PolarHBondContact O-N 2.95Å; R1720-Y1722 HydrophobicContact CG-CD2 4.05Å; R1720-Y1722 HydrophobicContact CG-CE2 4.3Å; R1720-Y1722 VanDerWaalsContact NH1-CD2 3.26Å; R1720-Y1722 PolarHBondContact O-N 2.7Å; R1720-P1735 CarbonylContact C-O 3.56Å; R1720-P1735 PolarHBondContact N-O 3.37Å; R1720-P1735 CarbonylContact O-C 3.18Å; R1720-Q1736 CarbonylContact O-C 3.17Å; R1720-Q1736 WeakPolarHBondContact O-CA 3.45Å; R1720-Q1736 PolarHBondContact O-N 3.17Å; R1720-K1737 HydrophobicContact CB-CB 4.18Å; R1720-K1737 PolarHBondContact O-N 2.94Å
1721	S	26	Very low	29.3	Very low	90 Å²	90	142.8 Å²	142.8	63%	0.629	72%	0.722	S	S	*	*			trans	-109.9	132.1	153.9	-50.2	0	0	0	0	109.8
1722	Y	27.8	Very low	29.3	Very low	172.4 Å²	172.4	143.8 Å²	143.8	68%	0.676	72%	0.723	S	S	*	*			trans	-151.4	143.5	153.5	-86.2	-75	0	0	0	111.6	R1720 H1733 H1734 Q1837	R1720-Y1722 HydrophobicContact CG-CD2 4.05Å; R1720-Y1722 HydrophobicContact CG-CE2 4.3Å; R1720-Y1722 VanDerWaalsContact NH1-CD2 3.26Å; R1720-Y1722 PolarHBondContact O-N 2.7Å; Y1722-H1733 HydrophobicContact CE1-CB 3.96Å; Y1722-H1733 AromaticContact CE1-ND1 3.77Å; Y1722-H1733 WeakPolarHBondContact OH-CB 3.32Å; Y1722-H1733 PolarHBondContact OH-O 3.26Å; Y1722-H1734 VanDerWaalsContact CE1-C 3.48Å; Y1722-H1734 WeakPolarHBondContact CE1-O 3.37Å; Y1722-H1734 VanDerWaalsContact OH-CA 3.31Å; Y1722-H1734 WeakPolarHBondContact OH-CA 3.5Å; Y1722-H1734 PolarHBondContact OH-N 3.44Å; Y1722-H1734 VanDerWaalsContact OH-N 3.08Å; Y1722-Q1837 PolarHBondContact OH-NE2 3.47Å
1723	S	28.9	Very low	29.5	Very low	98.4 Å²	98.4	141.6 Å²	141.6	69%	0.688	72%	0.719	S	S	*	*			trans	65.5	140.5	151.3	-56.2	0	0	0	0	116.9
1724	E	28.2	Very low	29.4	Very low	174.8 Å²	174.8	143.4 Å²	143.4	82%	0.817	72%	0.716	S	S	*	*			trans	111.3	145.5	136.5	-85.8	154.3	173.9	0	0	114.3
1725	A	27.6	Very low	29.8	Very low	92.4 Å²	92.4	137.5 Å²	137.5	76%	0.764	71%	0.705	S	S	*	*				119.5	147.8	121.6	0	0	0	0	0	115.2
1726	S	28.6	Very low	30	Very low	106.6 Å²	106.6	138 Å²	138	75%	0.745	70%	0.703	S	S	*	*			trans	73.2	137.7	167.3	-11.6	0	0	0	0	118.6
1727	T	30.4	Very low	30.1	Very low	126.8 Å²	126.8	140.7 Å²	140.7	78%	0.778	70%	0.702	S	S	*	*				86.5	131.8	115.1	39.2	0	0	0	0	119.3
1728	S	30.3	Very low	30.1	Very low	99.6 Å²	99.6	135.9 Å²	135.9	70%	0.697	69%	0.692	S	S	*	*			trans	95.5	140.5	135.2	75.2	0	0	0	0	119.1
1729	H	31	Very low	30.2	Very low	161.4 Å²	161.4	140 Å²	140	75%	0.747	69%	0.693	S	S	*	*			trans	75.8	128.1	138.8	-74	45.4	0	0	0	119.4
1730	H	30.2	Very low	30.3	Very low	133.2 Å²	133.2	136.1 Å²	136.1	62%	0.617	69%	0.694	S	S	*	*				158.8	145.9	82.8	-94.2	-50.1	0	0	0	116.1	Y1685	Y1685-H1730 PolarHBondContact OH-NE2 3.08Å
1731	H	32	Very low	30.4	Very low	133.6 Å²	133.6	129.9 Å²	129.9	62%	0.619	69%	0.693	S	S	*	*				79	136.2	128	-81.2	66.9	0	0	0	116.4
1732	Y	30.9	Very low	30.6	Very low	191.2 Å²	191.2	134.2 Å²	134.2	75%	0.75	71%	0.708	S	S	*	*				-163.1	157.9	69	-91.2	-64.5	0	0	0	113.3
1733	H	31.5	Very low	30.6	Very low	147.4 Å²	147.4	130.3 Å²	130.3	68%	0.682	71%	0.712	S	S	*	*			cis	-169.3	143.6	-1.1	-116.5	-79.1	0	0	0	112.6	Y1722	Y1722-H1733 HydrophobicContact CE1-CB 3.96Å; Y1722-H1733 AromaticContact CE1-ND1 3.77Å; Y1722-H1733 WeakPolarHBondContact OH-CB 3.32Å; Y1722-H1733 PolarHBondContact OH-O 3.26Å
1734	H	29.9	Very low	30.8	Very low	137.4 Å²	137.4	130.4 Å²	130.4	64%	0.636	71%	0.713	S	S	*	*			trans	165.6	152.9	145.1	-122.2	21.4	0	0	0	113.4	D1695 Y1719 Y1722 Q1736	D1695-H1734 IonicContact OD1-CE1 2.91Å; D1695-H1734 IonicContact OD1-CG 2.67Å; D1695-H1734 IonicContact OD1-ND1 3.08Å; D1695-H1734 PolarHBondContact OD1-ND1 3.14Å; D1695-H1734 VanDerWaalsContact OD2-C 3.23Å; D1695-H1734 WeakPolarHBondContact OD2-CA 3.48Å; D1695-H1734 IonicContact OD2-ND1 3.53Å; Y1719-H1734 AromaticContact CD2-ND1 3.89Å; Y1719-H1734 HydrophobicContact CE1-CB 4.48Å; Y1719-H1734 HydrophobicContact CE2-CB 4.27Å; Y1719-H1734 AromaticContact CE2-CD2 3.84Å; Y1719-H1734 AromaticContact CE2-CE1 3.47Å; Y1719-H1734 VanDerWaalsContact CE2-CE1 3.47Å; Y1719-H1734 WeakPolarHBondContact CE2-CE1 3.46Å; Y1719-H1734 AromaticContact CE2-CG 3.58Å; Y1719-H1734 AromaticContact CE2-ND1 3.32Å; Y1719-H1734 VanDerWaalsContact CE2-ND1 3.32Å; Y1719-H1734 WeakPolarHBondContact CE2-ND1 3Å; Y1719-H1734 AromaticContact CE2-NE2 3.75Å; Y1719-H1734 AromaticContact CZ-CD2 3.62Å; Y1719-H1734 AromaticContact CZ-CG 3.67Å; Y1719-H1734 AromaticContact CZ-ND1 3.9Å; Y1719-H1734 AromaticContact CZ-NE2 3.83Å; Y1719-H1734 PolarHBondContact OH-CD2 2.77Å; Y1719-H1734 PolarHBondContact OH-NE2 2.82Å; Y1722-H1734 VanDerWaalsContact CE1-C 3.48Å; Y1722-H1734 WeakPolarHBondContact CE1-O 3.37Å; Y1722-H1734 VanDerWaalsContact OH-CA 3.31Å; Y1722-H1734 WeakPolarHBondContact OH-CA 3.5Å; Y1722-H1734 PolarHBondContact OH-N 3.44Å; Y1722-H1734 VanDerWaalsContact OH-N 3.08Å; H1734-Q1736 VanDerWaalsContact NE2-CD 3.26Å; H1734-Q1736 VanDerWaalsContact NE2-CG 3.35Å; H1734-Q1736 WeakPolarHBondContact NE2-CG 3.4Å; H1734-Q1736 PolarHBondContact NE2-NE2 2.82Å
1735	P	36.9	Very low	31	Very low	92.2 Å²	92.2	129 Å²	129	60%	0.599	71%	0.71	S	S	*	*				-131.7	169.9	50.4	37.7	-19.6	0	0	0	115.6	D1695 Y1719 R1720	D1695-P1735 WeakPolarHBondContact OD1-CA 3.43Å; Y1719-P1735 CarbonylContact C-O 3.54Å; Y1719-P1735 WeakPolarHBondContact CA-O 3.42Å; Y1719-P1735 WeakPolarHBondContact CB-O 3.38Å; Y1719-P1735 VanDerWaalsContact CD1-C 3.47Å; Y1719-P1735 WeakPolarHBondContact CD1-O 3.49Å; Y1719-P1735 VanDerWaalsContact CG-O 3.28Å; Y1719-P1735 PolarHBondContact N-O 2.71Å; Y1719-P1735 VanDerWaalsContact N-O 3.08Å; R1720-P1735 CarbonylContact C-O 3.56Å; R1720-P1735 PolarHBondContact N-O 3.37Å; R1720-P1735 CarbonylContact O-C 3.18Å
1736	Q	32.6	Very low	31.2	Very low	131.2 Å²	131.2	130.6 Å²	130.6	61%	0.613	70%	0.704	S	S	*	*				161.8	128.1	124.3	-112.1	-174.2	11.1	0	0	118.3	D1695 N1697 P1718 Y1719 R1720 H1734	D1695-Q1736 WeakPolarHBondContact O-CA 3.44Å; D1695-Q1736 WeakPolarHBondContact O-CB 3.39Å; D1695-Q1736 PolarHBondContact O-N 3.35Å; D1695-Q1736 VanDerWaalsContact O-N 3.09Å; D1695-Q1736 PolarHBondContact OD1-N 3.16Å; D1695-Q1736 VanDerWaalsContact OD1-N 3.09Å; N1697-Q1736 CarbonylContact C-O 3.26Å; N1697-Q1736 WeakPolarHBondContact CA-O 3.13Å; N1697-Q1736 PolarHBondContact N-O 3Å; P1718-Q1736 WeakPolarHBondContact O-CA 3.38Å; P1718-Q1736 VanDerWaalsContact O-CG 3.24Å; P1718-Q1736 WeakPolarHBondContact O-CG 3.24Å; Y1719-Q1736 HydrophobicContact CD1-CB 4.44Å; R1720-Q1736 CarbonylContact O-C 3.17Å; R1720-Q1736 WeakPolarHBondContact O-CA 3.45Å; R1720-Q1736 PolarHBondContact O-N 3.17Å; H1734-Q1736 VanDerWaalsContact NE2-CD 3.26Å; H1734-Q1736 VanDerWaalsContact NE2-CG 3.35Å; H1734-Q1736 WeakPolarHBondContact NE2-CG 3.4Å; H1734-Q1736 PolarHBondContact NE2-NE2 2.82Å
1737	K	30.6	Very low	31.3	Very low	155.6 Å²	155.6	135.7 Å²	135.7	68%	0.677	71%	0.707	S	S	*	*			trans	-174.5	166	146.6	-93.6	-178.1	169.2	150.7	0	118	D1696 N1697 Y1698 P1718 R1720	D1696-K1737 WeakPolarHBondContact OD2-CA 3.32Å; D1696-K1737 PolarHBondContact OD2-N 2.6Å; D1696-K1737 VanDerWaalsContact OD2-N 3.11Å; N1697-K1737 PolarHBondContact O-NZ 3.1Å; Y1698-K1737 WeakPolarHBondContact O-CG 3.42Å; P1718-K1737 PolarHBondContact O-N 2.79Å; R1720-K1737 HydrophobicContact CB-CB 4.18Å; R1720-K1737 PolarHBondContact O-N 2.94Å
1738	D	31.3	Very low	31.4	Very low	101 Å²	101	137.2 Å²	137.2	54%	0.54	71%	0.705	S	S	.	*				120.7	138.8	110	-103.8	19	0	0	0	121.7	D1696 N1697 Y1698 R1699	D1696-D1738 WeakPolarHBondContact OD1-CB 3.43Å; D1696-D1738 VanDerWaalsContact OD2-CB 3.29Å; D1696-D1738 WeakPolarHBondContact OD2-CB 3.35Å; N1697-D1738 WeakPolarHBondContact CA-OD1 3.05Å; Y1698-D1738 VanDerWaalsContact N-CA 3.26Å; Y1698-D1738 PolarHBondContact N-OD1 3.41Å; R1699-D1738 CarbonylContact C-O 3.06Å; R1699-D1738 WeakPolarHBondContact CA-O 3.21Å; R1699-D1738 WeakPolarHBondContact CB-O 3.24Å; R1699-D1738 VanDerWaalsContact N-N 3.18Å; R1699-D1738 PolarHBondContact N-O 3.35Å; R1699-D1738 PolarHBondContact O-N 3.16Å
1739	R	33.4	Very low	31.5	Very low	195.8 Å²	195.8	137.7 Å²	137.7	74%	0.739	70%	0.699	S	S	*	*			trans	72.1	141.1	138.5	-79.6	165.5	-149.6	-136.4	-4.8	121.4	D1696 N1697 R1699 I1700	D1696-R1739 PolarHBondContact O-NH2 3.26Å; D1696-R1739 IonicContact OD1-NH2 3.86Å; D1696-R1739 PolarHBondContact OD1-NH2 2.8Å; N1697-R1739 PolarHBondContact ND2-NH1 3.02Å; R1699-R1739 WeakPolarHBondContact CB-O 3.33Å; R1699-R1739 WeakPolarHBondContact CD-O 3.46Å; I1700-R1739 VanDerWaalsContact CD1-O 3.27Å; I1700-R1739 WeakPolarHBondContact CD1-O 3.22Å
1740	S	29.8	Very low	31.8	Very low	112.2 Å²	112.2	140.4 Å²	140.4	79%	0.785	70%	0.703	S	S	*	*			trans	15.2	134.9	153.9	61.8	0	0	0	0	119.5
1741	G	31.4	Very low	32	Very low	74.2 Å²	74.2	144.4 Å²	144.4	77%	0.765	71%	0.713	S	S	*	*			trans	166.9	133.9	154.9	0	0	0	0	0	112.8
1742	L	29	Very low	32.1	Very low	180 Å²	180	144.7 Å²	144.7	94%	0.942	72%	0.719	S	S	*	*			trans	-30.8	131.7	167.7	-69	172.4	0	0	0	114.1
1743	A	29	Very low	32.3	Very low	92.2 Å²	92.2	144.5 Å²	144.5	76%	0.762	72%	0.722	S	S	*	*			trans	156.5	129.9	142.8	0	0	0	0	0	115.9
1744	S	31.6	Very low	32.3	Very low	100 Å²	100	144.7 Å²	144.7	70%	0.699	73%	0.727	S	S	*	*			trans	165.5	132.5	147.7	50.8	0	0	0	0	114.7
1745	I	32.9	Very low	32.4	Very low	145.8 Å²	145.8	141.2 Å²	141.2	75%	0.748	73%	0.728	S	S	*	*			cis	63.9	120.9	33.7	-63.5	169.3	0	0	0	111.2	L1756	I1745-L1756 HydrophobicContact CB-CD2 3.91Å; I1745-L1756 HydrophobicContact CB-CG 4.47Å; I1745-L1756 HydrophobicContact CD1-CD2 3.94Å; I1745-L1756 HydrophobicContact CG2-CD1 4.29Å; I1745-L1756 HydrophobicContact CG2-CD2 3.8Å; I1745-L1756 HydrophobicContact CG2-CG 3.88Å
1746	I	32.8	Very low	32.2	Very low	125.6 Å²	125.6	143.9 Å²	143.9	64%	0.644	74%	0.736	S	S	*	*			trans	114.6	120.4	150.1	-60.1	179.7	0	0	0	111.5	H1748 L1754	I1746-H1748 WeakPolarHBondContact CG2-NE2 3.22Å; I1746-L1754 HydrophobicContact CB-CD2 4.26Å; I1746-L1754 HydrophobicContact CD1-CD1 4.16Å; I1746-L1754 HydrophobicContact CD1-CD2 4.37Å; I1746-L1754 HydrophobicContact CG1-CD1 4.41Å; I1746-L1754 HydrophobicContact CG1-CD2 3.83Å; I1746-L1754 HydrophobicContact CG2-CD2 4Å
1747	R	29.6	Very low	32.1	Very low	213 Å²	213	143.7 Å²	143.7	80%	0.804	74%	0.738	S	S	*	*			cis	-152.2	142.7	47.5	-80.9	-175.6	-155.3	-166.3	3.6	109.2
1748	H	33.5	Very low	32.1	Very low	158 Å²	158	143.7 Å²	143.7	73%	0.731	74%	0.74	S	S	*	*			trans	-166.2	151.7	143.2	-81.5	-78.7	0	0	0	113.1	I1746 N1752	I1746-H1748 WeakPolarHBondContact CG2-NE2 3.22Å; H1748-N1752 PolarHBondContact ND1-OD1 2.86Å
1749	D	32.8	Very low	32.1	Very low	110.2 Å²	110.2	146.6 Å²	146.6	59%	0.589	75%	0.75	S	S	*	*			trans	-129.2	158	-130.7	-151.8	-13.6	0	0	0	111.6	R1751 N1752	D1749-R1751 VanDerWaalsContact C-N 3.32Å; D1749-R1751 PolarHBondContact O-N 3.12Å; D1749-N1752 PolarHBondContact O-N 3.48Å
1750	R	35.6	Very low	31.9	Very low	219.6 Å²	219.6	142.1 Å²	142.1	83%	0.829	75%	0.749	S	S	*	*			trans	20.6	64.2	160.2	-80.9	173.7	-156.9	-167.3	0.4	115.6	N1752	R1750-N1752 PolarHBondContact O-N 3.18Å
1751	R	35.2	Very low	31.9	Very low	216.6 Å²	216.6	140.7 Å²	140.7	82%	0.817	74%	0.739	S	S	*	*			trans	165.1	99.6	136.9	-82.7	168.6	-160.6	178.5	0.9	114.1	D1749 K1753	D1749-R1751 VanDerWaalsContact C-N 3.32Å; D1749-R1751 PolarHBondContact O-N 3.12Å; R1751-K1753 PolarHBondContact O-N 3.19Å
1752	N	34.6	Very low	31.8	Very low	138.6 Å²	138.6	143.9 Å²	143.9	74%	0.741	74%	0.739	S	S	*	*			trans	-45.4	117.4	159	-98.8	-14.3	0	0	0	113.3	H1748 D1749 R1750	H1748-N1752 PolarHBondContact ND1-OD1 2.86Å; D1749-N1752 PolarHBondContact O-N 3.48Å; R1750-N1752 PolarHBondContact O-N 3.18Å
1753	K	34.1	Very low	31.9	Very low	187.6 Å²	187.6	145.6 Å²	145.6	82%	0.816	73%	0.733	S	S	*	*			trans	-175.7	115.3	141.2	-93.9	-172.7	175.4	-176.8	0	112.2	R1751	R1751-K1753 PolarHBondContact O-N 3.19Å
1754	L	32.3	Very low	32.1	Very low	152.2 Å²	152.2	145.2 Å²	145.2	80%	0.797	73%	0.725	S	S	*	*				166.9	130.1	121.3	-76.2	169.7	0	0	0	111.4	I1746 I1757	I1746-L1754 HydrophobicContact CB-CD2 4.26Å; I1746-L1754 HydrophobicContact CD1-CD1 4.16Å; I1746-L1754 HydrophobicContact CD1-CD2 4.37Å; I1746-L1754 HydrophobicContact CG1-CD1 4.41Å; I1746-L1754 HydrophobicContact CG1-CD2 3.83Å; I1746-L1754 HydrophobicContact CG2-CD2 4Å; L1754-I1757 HydrophobicContact CB-CD1 3.57Å; L1754-I1757 HydrophobicContact CD2-CD1 3.55Å; L1754-I1757 HydrophobicContact CD2-CG1 4.36Å; L1754-I1757 HydrophobicContact CG-CD1 4.09Å
1755	G	31.3	Very low	32.1	Very low	62.8 Å²	62.8	147.2 Å²	147.2	65%	0.647	72%	0.721	S	S	*	*			trans	156	136.9	163.4	0	0	0	0	0	112
1756	L	32.5	Very low	32.2	Very low	148.8 Å²	148.8	148 Å²	148	78%	0.779	72%	0.721	S	S	*	*			trans	77.2	137.3	156.5	-72.4	117	0	0	0	111.9	I1745	I1745-L1756 HydrophobicContact CB-CD2 3.91Å; I1745-L1756 HydrophobicContact CB-CG 4.47Å; I1745-L1756 HydrophobicContact CD1-CD2 3.94Å; I1745-L1756 HydrophobicContact CG2-CD1 4.29Å; I1745-L1756 HydrophobicContact CG2-CD2 3.8Å; I1745-L1756 HydrophobicContact CG2-CG 3.88Å
1757	I	30.4	Very low	32.1	Very low	127.6 Å²	127.6	147.1 Å²	147.1	65%	0.654	72%	0.722	S	S	*	*				87.4	128.8	70.9	-62.6	158.5	0	0	0	112.4	L1754	L1754-I1757 HydrophobicContact CB-CD1 3.57Å; L1754-I1757 HydrophobicContact CD2-CD1 3.55Å; L1754-I1757 HydrophobicContact CD2-CG1 4.36Å; L1754-I1757 HydrophobicContact CG-CD1 4.09Å
1758	H	32.3	Very low	32.3	Very low	155.6 Å²	155.6	144.8 Å²	144.8	72%	0.72	72%	0.717	S	S	*	*				162.6	155.2	70.1	-111	-78.9	0	0	0	111.9
1759	H	29.7	Very low	32.1	Very low	161.2 Å²	161.2	142.6 Å²	142.6	75%	0.746	71%	0.711	S	S	*	*			trans	-150.7	134.5	172.5	-59.8	-55.2	0	0	0	110.3	S1761	H1759-S1761 PolarHBondContact O-N 3.46Å
1760	S	29.4	Very low	32	Very low	101.6 Å²	101.6	142.8 Å²	142.8	71%	0.71	71%	0.712	S	S	*	*				-158.2	131.9	115.4	42.9	0	0	0	0	109.5	Q1778 R1779 I1780	S1760-Q1778 CarbonylContact C-O 3.55Å; S1760-Q1778 VanDerWaalsContact C-O 3.23Å; S1760-Q1778 CarbonylContact O-C 3.55Å; S1760-R1779 VanDerWaalsContact C-N 3.34Å; S1760-R1779 CarbonylContact C-O 3.47Å; S1760-R1779 VanDerWaalsContact CB-O 3.26Å; S1760-R1779 WeakPolarHBondContact CB-O 3.26Å; S1760-R1779 CarbonylContact O-C 3.43Å; S1760-R1779 PolarHBondContact O-N 2.73Å; S1760-I1780 PolarHBondContact OG-O 3.04Å
1761	S	30.2	Very low	31.9	Very low	82.8 Å²	82.8	138.5 Å²	138.5	58%	0.579	71%	0.705	S	S	*	*			trans	15.7	131.2	155.1	68.3	0	0	0	0	117.5	H1759 Q1778 R1779	H1759-S1761 PolarHBondContact O-N 3.46Å; S1761-Q1778 CarbonylContact C-O 3.57Å; S1761-Q1778 VanDerWaalsContact CA-O 3.29Å; S1761-Q1778 WeakPolarHBondContact CA-O 3.33Å; S1761-Q1778 PolarHBondContact N-O 3Å; S1761-R1779 CarbonylContact C-O 3.18Å; S1761-R1779 PolarHBondContact N-O 3.44Å; S1761-R1779 CarbonylContact O-C 3.4Å; S1761-R1779 WeakPolarHBondContact O-CA 3.41Å; S1761-R1779 VanDerWaalsContact O-CB 3.28Å; S1761-R1779 WeakPolarHBondContact O-CB 3.45Å; S1761-R1779 PolarHBondContact O-N 2.69Å; S1761-R1779 VanDerWaalsContact O-N 3.14Å; S1761-R1779 VanDerWaalsContact O-O 3.06Å
1762	N	29.7	Very low	31.8	Very low	142.8 Å²	142.8	133.2 Å²	133.2	76%	0.764	70%	0.697	S	S	*	*			trans	91.5	136.9	143.9	-64.2	-32.6	0	0	0	116.8	Q1777 Q1778 R1779	N1762-Q1777 PolarHBondContact N-O 3.43Å; N1762-Q1778 VanDerWaalsContact N-C 3.3Å; N1762-Q1778 PolarHBondContact N-O 2.81Å; N1762-Q1778 PolarHBondContact O-OE1 3.08Å; N1762-Q1778 VanDerWaalsContact O-OE1 3.09Å; N1762-R1779 VanDerWaalsContact O-CZ 3.29Å; N1762-R1779 PolarHBondContact O-NH1 3.16Å
1763	R	31.3	Very low	31.7	Very low	215.2 Å²	215.2	133 Å²	133	81%	0.812	69%	0.691	S	S	*	*				103	122.5	107.5	-165.5	179.8	-166.6	-164	5.3	116.3	L1769 Q1777 Q1778 R1779	R1763-L1769 CarbonylContact C-O 3.37Å; R1763-L1769 CarbonylContact O-C 3.44Å; R1763-Q1777 VanDerWaalsContact C-OE1 3.28Å; R1763-Q1778 PolarHBondContact O-OE1 3.48Å; R1763-R1779 PolarHBondContact O-NH1 3.33Å; R1763-R1779 PolarHBondContact O-NH2 2.85Å
1764	S	32.5	Very low	31.7	Very low	84.6 Å²	84.6	129.2 Å²	129.2	59%	0.592	68%	0.684	S	S	*	*				96.7	116.8	109	-177	0	0	0	0	115.8	L1769 Q1777	S1764-L1769 PolarHBondContact N-O 3.15Å; S1764-Q1777 VanDerWaalsContact CA-OE1 3.25Å; S1764-Q1777 PolarHBondContact O-NE2 3.26Å
1765	K	31	Very low	31.7	Very low	142 Å²	142	127.4 Å²	127.4	62%	0.617	68%	0.679	S	S	*	*				22.6	142.2	91.6	-62.4	-174.6	-179.9	-177.7	0	115	T1767 K1768 L1769 E1773 V1775 E1959	K1765-T1767 CarbonylContact C-O 3.59Å; K1765-T1767 CarbonylContact O-C 3.29Å; K1765-T1767 VanDerWaalsContact O-C 3.29Å; K1765-T1767 PolarHBondContact O-N 3.27Å; K1765-K1768 PolarHBondContact N-O 2.97Å; K1765-K1768 VanDerWaalsContact N-O 3.11Å; K1765-L1769 HydrophobicContact CD-CD1 4.24Å; K1765-L1769 HydrophobicContact CG-CD1 4.43Å; K1765-E1773 WeakPolarHBondContact CA-OE1 3.07Å; K1765-E1773 WeakPolarHBondContact CA-OE2 3.41Å; K1765-E1773 VanDerWaalsContact CE-O 3.22Å; K1765-E1773 WeakPolarHBondContact CE-O 3.5Å; K1765-E1773 WeakPolarHBondContact CG-O 3.18Å; K1765-E1773 PolarHBondContact N-OE1 2.82Å; K1765-V1775 WeakPolarHBondContact CE-O 3.48Å; K1765-E1959 IonicContact NZ-OE2 2.71Å; K1765-E1959 PolarHBondContact NZ-OE2 2.83Å
1766	H	35.2	Very low	31.8	Very low	161 Å²	161	131.8 Å²	131.8	75%	0.745	69%	0.687	S	S	*	*			trans	-167.6	98.7	131.2	-84.9	-60.9	0	0	0	113.7	E1773	H1766-E1773 VanDerWaalsContact CA-OE2 3.27Å; H1766-E1773 WeakPolarHBondContact CA-OE2 3.19Å; H1766-E1773 PolarHBondContact N-OE2 3.07Å
1767	T	31.4	Very low	31.8	Very low	108 Å²	108	131.1 Å²	131.1	66%	0.663	68%	0.679	S	S	*	*				67.3	140.2	125.4	62.1	0	0	0	0	117	K1765 E1773	K1765-T1767 CarbonylContact C-O 3.59Å; K1765-T1767 CarbonylContact O-C 3.29Å; K1765-T1767 VanDerWaalsContact O-C 3.29Å; K1765-T1767 PolarHBondContact O-N 3.27Å; T1767-E1773 HydrophobicContact CG2-CB 3.3Å; T1767-E1773 HydrophobicContact CG2-CG 4.34Å; T1767-E1773 WeakPolarHBondContact CG2-OE2 3.39Å; T1767-E1773 PolarHBondContact N-OE2 2.75Å
1768	K	32.6	Very low	31.9	Very low	163.6 Å²	163.6	131.6 Å²	131.6	71%	0.711	68%	0.679	S	S	*	*			trans	170.8	143	152.8	-69.6	168.7	179.4	-175.9	0	111.4	E1158 K1159 A1160 K1765	E1158-K1768 HydrophobicContact CB-CB 4.12Å; E1158-K1768 HydrophobicContact CB-CD 3.71Å; E1158-K1768 HydrophobicContact CB-CG 3.66Å; E1158-K1768 VanDerWaalsContact CD-CE 3.45Å; E1158-K1768 HydrophobicContact CG-CD 4.07Å; E1158-K1768 WeakPolarHBondContact O-CB 3.09Å; E1158-K1768 IonicContact OE1-NZ 3.94Å; E1158-K1768 PolarHBondContact OE1-NZ 3.24Å; E1158-K1768 WeakPolarHBondContact OE2-CE 3.31Å; E1158-K1768 IonicContact OE2-NZ 3.52Å; E1158-K1768 PolarHBondContact OE2-NZ 3.49Å; K1159-K1768 CarbonylContact C-O 2.9Å; K1159-K1768 HydrophobicContact CG-CD 4.02Å; K1159-K1768 VanDerWaalsContact O-CB 3.26Å; K1159-K1768 WeakPolarHBondContact O-CB 3.35Å; K1159-K1768 WeakPolarHBondContact O-CD 3.38Å; K1159-K1768 PolarHBondContact O-N 3.39Å; A1160-K1768 CarbonylContact C-O 3.23Å; A1160-K1768 PolarHBondContact N-O 2.99Å; A1160-K1768 CarbonylContact O-C 3.49Å; K1765-K1768 PolarHBondContact N-O 2.97Å; K1765-K1768 VanDerWaalsContact N-O 3.11Å
1769	L	31.3	Very low	31.9	Very low	113.2 Å²	113.2	134.1 Å²	134.1	59%	0.593	68%	0.682	S	S	*	*			cis	160.2	144.6	25.7	-92.5	159.9	0	0	0	110.9	T1156 N1157 E1158 R1763 S1764 K1765	T1156-L1769 WeakPolarHBondContact OG1-CD1 3.38Å; N1157-L1769 WeakPolarHBondContact O-CD2 3.5Å; N1157-L1769 WeakPolarHBondContact O-CG 3.06Å; E1158-L1769 WeakPolarHBondContact O-CD1 3Å; E1158-L1769 WeakPolarHBondContact O-CG 3.3Å; R1763-L1769 CarbonylContact C-O 3.37Å; R1763-L1769 CarbonylContact O-C 3.44Å; S1764-L1769 PolarHBondContact N-O 3.15Å; K1765-L1769 HydrophobicContact CD-CD1 4.24Å; K1765-L1769 HydrophobicContact CG-CD1 4.43Å
1770	N	30.6	Very low	32	Very low	113.8 Å²	113.8	132.8 Å²	132.8	61%	0.609	68%	0.679	S	S	*	*			cis	-179.6	141.7	4.8	-98.3	-13.4	0	0	0	113.5	T1156 K1863	T1156-N1770 WeakPolarHBondContact CG2-OD1 3.46Å; N1770-K1863 HydrophobicContact CB-CD 4.01Å; N1770-K1863 PolarHBondContact O-NZ 2.73Å
1771	D	33.1	Very low	32.2	Very low	128.8 Å²	128.8	135.1 Å²	135.1	69%	0.689	68%	0.683	S	S	*	*				-137.9	164.1	100.6	-102.2	-23	0	0	0	112.3	E1773 K1863	D1771-E1773 VanDerWaalsContact C-N 3.27Å; D1771-E1773 PolarHBondContact O-N 2.82Å; D1771-K1863 WeakPolarHBondContact OD1-CD 3.5Å; D1771-K1863 WeakPolarHBondContact OD1-CE 3.28Å; D1771-K1863 IonicContact OD1-NZ 3.14Å; D1771-K1863 PolarHBondContact OD1-NZ 3.42Å; D1771-K1863 IonicContact OD2-NZ 3.04Å; D1771-K1863 PolarHBondContact OD2-NZ 2.63Å
1772	V	32.3	Very low	32.4	Very low	106.2 Å²	106.2	139.5 Å²	139.5	64%	0.644	69%	0.691	S	S	*	*			trans	30.9	115.5	145.1	179.8	0	0	0	0	114.6	T1774 R1862	V1772-T1774 HydrophobicContact CG1-CG2 3.72Å; V1772-T1774 PolarHBondContact O-N 2.96Å; V1772-T1774 VanDerWaalsContact O-N 3.08Å; V1772-T1774 PolarHBondContact O-OG1 3.02Å; V1772-R1862 PolarHBondContact O-NH1 2.96Å
1773	E	32.3	Very low	32.5	Very low	132.6 Å²	132.6	139.6 Å²	139.6	62%	0.62	69%	0.692	S	S	*	*			trans	27.3	101.8	141.5	-127	-172.8	165.6	0	0	115.6	K1765 H1766 T1767 D1771 V1775 I1865	K1765-E1773 WeakPolarHBondContact CA-OE1 3.07Å; K1765-E1773 WeakPolarHBondContact CA-OE2 3.41Å; K1765-E1773 VanDerWaalsContact CE-O 3.22Å; K1765-E1773 WeakPolarHBondContact CE-O 3.5Å; K1765-E1773 WeakPolarHBondContact CG-O 3.18Å; K1765-E1773 PolarHBondContact N-OE1 2.82Å; H1766-E1773 VanDerWaalsContact CA-OE2 3.27Å; H1766-E1773 WeakPolarHBondContact CA-OE2 3.19Å; H1766-E1773 PolarHBondContact N-OE2 3.07Å; T1767-E1773 HydrophobicContact CG2-CB 3.3Å; T1767-E1773 HydrophobicContact CG2-CG 4.34Å; T1767-E1773 WeakPolarHBondContact CG2-OE2 3.39Å; T1767-E1773 PolarHBondContact N-OE2 2.75Å; D1771-E1773 VanDerWaalsContact C-N 3.27Å; D1771-E1773 PolarHBondContact O-N 2.82Å; E1773-V1775 HydrophobicContact CB-CG2 4.45Å; E1773-V1775 HydrophobicContact CG-CB 3.84Å; E1773-V1775 HydrophobicContact CG-CG1 3.87Å; E1773-V1775 HydrophobicContact CG-CG2 3.87Å; E1773-I1865 HydrophobicContact CB-CD1 4.39Å; E1773-I1865 VanDerWaalsContact CD-CD1 3.43Å; E1773-I1865 HydrophobicContact CG-CD1 4.24Å; E1773-I1865 VanDerWaalsContact OE1-CG2 3.27Å; E1773-I1865 WeakPolarHBondContact OE1-CG2 3.32Å; E1773-I1865 WeakPolarHBondContact OE2-CD1 3.43Å
1774	T	34.1	Very low	32.6	Very low	109.2 Å²	109.2	134.2 Å²	134.2	67%	0.67	69%	0.685	S	S	*	*			trans	-146.5	115	144	64.5	0	0	0	0	114.1	V1772 L1776	V1772-T1774 HydrophobicContact CG1-CG2 3.72Å; V1772-T1774 PolarHBondContact O-N 2.96Å; V1772-T1774 VanDerWaalsContact O-N 3.08Å; V1772-T1774 PolarHBondContact O-OG1 3.02Å; T1774-L1776 PolarHBondContact O-N 3.41Å
1775	V	33.6	Very low	32.6	Very low	113.4 Å²	113.4	136.3 Å²	136.3	69%	0.687	69%	0.69	S	S	*	*			trans	-131.5	96.1	141.9	177.5	0	0	0	0	112.8	K1765 E1773 Q1777	K1765-V1775 WeakPolarHBondContact CE-O 3.48Å; E1773-V1775 HydrophobicContact CB-CG2 4.45Å; E1773-V1775 HydrophobicContact CG-CB 3.84Å; E1773-V1775 HydrophobicContact CG-CG1 3.87Å; E1773-V1775 HydrophobicContact CG-CG2 3.87Å; V1775-Q1777 HydrophobicContact CB-CG 4.31Å; V1775-Q1777 HydrophobicContact CG1-CB 4.44Å; V1775-Q1777 HydrophobicContact CG1-CG 3.31Å; V1775-Q1777 WeakPolarHBondContact O-CG 3.18Å
1776	L	32.1	Very low	32.8	Very low	156.6 Å²	156.6	140 Å²	140	82%	0.82	70%	0.699	S	S	*	*			trans	-93.7	104.5	163.8	-88.5	169.1	0	0	0	112.7	T1774	T1774-L1776 PolarHBondContact O-N 3.41Å
1777	Q	32.9	Very low	32.6	Very low	132.4 Å²	132.4	138.6 Å²	138.6	62%	0.619	70%	0.698	S	S	*	*			trans	164.5	113.8	133.4	-85.5	-172.2	23.7	0	0	116.7	N1762 R1763 S1764 V1775	N1762-Q1777 PolarHBondContact N-O 3.43Å; R1763-Q1777 VanDerWaalsContact C-OE1 3.28Å; S1764-Q1777 VanDerWaalsContact CA-OE1 3.25Å; S1764-Q1777 PolarHBondContact O-NE2 3.26Å; V1775-Q1777 HydrophobicContact CB-CG 4.31Å; V1775-Q1777 HydrophobicContact CG1-CB 4.44Å; V1775-Q1777 HydrophobicContact CG1-CG 3.31Å; V1775-Q1777 WeakPolarHBondContact O-CG 3.18Å
1778	Q	32.7	Very low	32.8	Very low	139 Å²	139	140.4 Å²	140.4	65%	0.65	70%	0.703	S	S	*	*			trans	64	129	149.3	-58.3	170.8	7.8	0	0	115.6	S1760 S1761 N1762 R1763 I1780	S1760-Q1778 CarbonylContact C-O 3.55Å; S1760-Q1778 VanDerWaalsContact C-O 3.23Å; S1760-Q1778 CarbonylContact O-C 3.55Å; S1761-Q1778 CarbonylContact C-O 3.57Å; S1761-Q1778 VanDerWaalsContact CA-O 3.29Å; S1761-Q1778 WeakPolarHBondContact CA-O 3.33Å; S1761-Q1778 PolarHBondContact N-O 3Å; N1762-Q1778 VanDerWaalsContact N-C 3.3Å; N1762-Q1778 PolarHBondContact N-O 2.81Å; N1762-Q1778 PolarHBondContact O-OE1 3.08Å; N1762-Q1778 VanDerWaalsContact O-OE1 3.09Å; R1763-Q1778 PolarHBondContact O-OE1 3.48Å; Q1778-I1780 HydrophobicContact CB-CD1 4.05Å; Q1778-I1780 HydrophobicContact CB-CG1 4.48Å; Q1778-I1780 HydrophobicContact CG-CD1 4Å
1779	R	31.6	Very low	32.7	Very low	208.6 Å²	208.6	141.4 Å²	141.4	79%	0.787	71%	0.707	S	S	*	*				-159.4	136	50.9	-92.7	175.1	-109.2	166	2.5	109.2	S1760 S1761 N1762 R1763 L1781	S1760-R1779 VanDerWaalsContact C-N 3.34Å; S1760-R1779 CarbonylContact C-O 3.47Å; S1760-R1779 VanDerWaalsContact CB-O 3.26Å; S1760-R1779 WeakPolarHBondContact CB-O 3.26Å; S1760-R1779 CarbonylContact O-C 3.43Å; S1760-R1779 PolarHBondContact O-N 2.73Å; S1761-R1779 CarbonylContact C-O 3.18Å; S1761-R1779 PolarHBondContact N-O 3.44Å; S1761-R1779 CarbonylContact O-C 3.4Å; S1761-R1779 WeakPolarHBondContact O-CA 3.41Å; S1761-R1779 VanDerWaalsContact O-CB 3.28Å; S1761-R1779 WeakPolarHBondContact O-CB 3.45Å; S1761-R1779 PolarHBondContact O-N 2.69Å; S1761-R1779 VanDerWaalsContact O-N 3.14Å; S1761-R1779 VanDerWaalsContact O-O 3.06Å; N1762-R1779 VanDerWaalsContact O-CZ 3.29Å; N1762-R1779 PolarHBondContact O-NH1 3.16Å; R1763-R1779 PolarHBondContact O-NH1 3.33Å; R1763-R1779 PolarHBondContact O-NH2 2.85Å; R1779-L1781 PolarHBondContact O-N 2.95Å
1780	I	32.9	Very low	32.7	Very low	133.2 Å²	133.2	140.3 Å²	140.3	68%	0.683	71%	0.709	S	S	*	*				89.9	120.6	106.2	-67.4	168.8	0	0	0	110	S1760 Q1778	S1760-I1780 PolarHBondContact OG-O 3.04Å; Q1778-I1780 HydrophobicContact CB-CD1 4.05Å; Q1778-I1780 HydrophobicContact CB-CG1 4.48Å; Q1778-I1780 HydrophobicContact CG-CD1 4Å
1781	L	32.8	Very low	32.7	Very low	149.4 Å²	149.4	141.9 Å²	141.9	78%	0.782	72%	0.715	S	S	*	*			trans	-136.1	143.9	152	-79.7	163.5	0	0	0	113.5	R1779	R1779-L1781 PolarHBondContact O-N 2.95Å
1782	K	34.2	Very low	32.6	Very low	175.8 Å²	175.8	142.8 Å²	142.8	76%	0.764	72%	0.716	S	S	*	*				80.1	104.1	126.4	-66.7	-172.4	173.7	-164.6	0	115.3
1783	D	31.1	Very low	32.6	Very low	145 Å²	145	145.6 Å²	145.6	78%	0.775	72%	0.719	S	S	*	*				149.2	140.6	62.3	-105.2	-9.8	0	0	0	111.8
1784	P	34.9	Very low	32.7	Very low	101 Å²	101	145.2 Å²	145.2	66%	0.656	72%	0.717	S	S	*	*			trans	-117.6	168	-144.2	34.3	-20.7	0	0	0	114
1785	N	31.7	Very low	32.7	Very low	130.2 Å²	130.2	147.5 Å²	147.5	70%	0.696	72%	0.718	S	S	*	*			trans	93.6	132.5	164.5	-66.1	-54.6	0	0	0	117.7
1786	R	35	Very low	32.6	Very low	218 Å²	218	146.9 Å²	146.9	82%	0.823	72%	0.719	S	S	*	*				151.6	137.7	88.6	-83.3	173.6	-175.7	-164.9	-1.5	114.3
1787	N	31.8	Very low	32.6	Very low	133.6 Å²	133.6	147.4 Å²	147.4	71%	0.714	72%	0.715	S	S	*	*				153.4	138	116.2	-71	-30	0	0	0	113.8
1788	L	34.4	Very low	32.4	Very low	145.8 Å²	145.8	145.8 Å²	145.8	76%	0.763	71%	0.71	S	S	*	*				-170.7	127.8	60.7	-101.6	169	0	0	0	110.3	K1795	L1788-K1795 PolarHBondContact O-NZ 2.83Å
1789	K	31.9	Very low	32.3	Very low	184 Å²	184	148 Å²	148	80%	0.8	72%	0.718	S	S	*	*			trans	28.2	149.6	161.9	-65.5	175.9	-178.2	-179.3	0	113.7
1790	S	30.3	Very low	32.4	Very low	89.8 Å²	89.8	145.4 Å²	145.4	63%	0.628	72%	0.716	S	S	*	*			cis	172.8	145.8	30	60.1	0	0	0	0	113.1	K1795	S1790-K1795 WeakPolarHBondContact O-CE 3.39Å; S1790-K1795 PolarHBondContact O-NZ 3.31Å
1791	I	31.7	Very low	32.3	Very low	146.6 Å²	146.6	148.3 Å²	148.3	75%	0.752	72%	0.721	S	S	*	*			trans	78.4	131	133.2	-71.5	169.5	0	0	0	114.1
1792	E	30.9	Very low	32.3	Very low	148.2 Å²	148.2	146.7 Å²	146.7	69%	0.693	72%	0.719	S	S	*	*				115.8	140.1	95.8	-136.3	176.7	-169.2	0	0	116	E1794	E1792-E1794 WeakPolarHBondContact O-CA 3.47Å; E1792-E1794 PolarHBondContact O-N 3.11Å
1793	F	32.8	Very low	32.1	Very low	164.6 Å²	164.6	142.7 Å²	142.7	72%	0.722	71%	0.713	S	S	*	*			trans	70.1	139.7	165	-95.9	-70.3	0	0	0	119.4
1794	E	33.9	Very low	32.1	Very low	124.8 Å²	124.8	146.4 Å²	146.4	58%	0.583	72%	0.716	S	S	*	*				-179	145	126.4	-100.9	170.8	132.1	0	0	117.2	E1792	E1792-E1794 WeakPolarHBondContact O-CA 3.47Å; E1792-E1794 PolarHBondContact O-N 3.11Å
1795	K	34.1	Very low	31.9	Very low	158.4 Å²	158.4	148.7 Å²	148.7	69%	0.689	72%	0.722	S	S	*	*			trans	66.9	126.6	132.7	-75.7	160.2	-169.6	160.6	0	117.1	L1788 S1790	L1788-K1795 PolarHBondContact O-NZ 2.83Å; S1790-K1795 WeakPolarHBondContact O-CE 3.39Å; S1790-K1795 PolarHBondContact O-NZ 3.31Å
1796	S	31.1	Very low	31.9	Very low	100.8 Å²	100.8	148.4 Å²	148.4	71%	0.705	72%	0.72	S	S	*	*				84	138.8	121.7	55.3	0	0	0	0	117.2
1797	K	32.4	Very low	31.8	Very low	166 Å²	166	146.2 Å²	146.2	72%	0.722	72%	0.717	S	S	*	*				71.7	132.6	101	-75	-172.4	169.6	-161.1	0	116.4
1798	D	28.1	Very low	31.7	Very low	99.4 Å²	99.4	145.9 Å²	145.9	53%	0.532	72%	0.715	S	S	.	*				57.8	140.7	118.5	-47.9	-31.1	0	0	0	115.8
1799	F	31.3	Very low	31.5	Very low	184 Å²	184	148.7 Å²	148.7	81%	0.807	72%	0.717	S	S	*	*				170.8	141.8	85.6	-77	-87.7	0	0	0	115.5
1800	M	33.2	Very low	31.5	Very low	153.8 Å²	153.8	146.7 Å²	146.7	76%	0.758	71%	0.711	S	S	*	*				49	120	126.1	-70.6	-129.8	97	0	0	116.8
1801	Y	30.3	Very low	31.4	Very low	196 Å²	196	148.2 Å²	148.2	77%	0.769	71%	0.712	S	S	*	*			trans	-88.2	158.1	154.5	-89.7	-92.5	0	0	0	112.1	S1803	Y1801-S1803 PolarHBondContact O-N 2.82Å
1802	P	33.8	Very low	31.3	Very low	115.4 Å²	115.4	150.8 Å²	150.8	75%	0.749	71%	0.713	S	S	*	*				-121.7	157.7	109.4	37.2	-24.3	0	0	0	114.6
1803	S	29.9	Very low	31.3	Very low	91.6 Å²	91.6	151.4 Å²	151.4	64%	0.641	72%	0.716	S	S	*	*			trans	-80	156	163.3	35.2	0	0	0	0	113.8	Y1801	Y1801-S1803 PolarHBondContact O-N 2.82Å
1804	R	30	Very low	31.3	Very low	222.8 Å²	222.8	149 Å²	149	84%	0.841	72%	0.715	S	S	*	*			trans	171.5	150	134	-99.2	165.2	-170.4	-169.8	1.1	111.7
1805	L	32	Very low	31.1	Very low	149.6 Å²	149.6	147.4 Å²	147.4	78%	0.783	72%	0.718	S	S	*	*				113	136.3	118.7	-79.2	164.1	0	0	0	115.1
1806	N	30.3	Very low	31	Very low	122.6 Å²	122.6	147.7 Å²	147.7	66%	0.656	72%	0.721	S	S	*	*				-96.6	134.3	105.6	-168.7	29.1	0	0	0	114.5
1807	K	32.6	Very low	31.1	Very low	173 Å²	173	152.6 Å²	152.6	75%	0.752	72%	0.724	S	S	*	*			trans	123	135.7	147.5	-86.3	172.7	-170.4	176.2	0	115.7
1808	N	29.8	Very low	31	Very low	127 Å²	127	150.7 Å²	150.7	68%	0.679	72%	0.721	S	S	*	*				152.7	154.8	126	-72	-9.6	0	0	0	114.3
1809	Y	30.9	Very low	31.3	Very low	203.8 Å²	203.8	153.9 Å²	153.9	80%	0.799	73%	0.73	S	S	*	*			trans	98.4	143.8	143.6	-90.7	-76.1	0	0	0	116.2
1810	Q	31.2	Very low	31.3	Very low	142.4 Å²	142.4	155.5 Å²	155.5	67%	0.665	73%	0.73	S	S	*	*			trans	-165.4	148.4	154	-82.2	173.4	-66.8	0	0	114.9	Y1812	Q1810-Y1812 HydrophobicContact CG-CE2 4.12Å; Q1810-Y1812 PolarHBondContact NE2-OH 3.06Å
1811	D	28.8	Very low	31.2	Very low	121.8 Å²	121.8	151.3 Å²	151.3	65%	0.651	73%	0.727	S	S	*	*				81.3	146.1	111.5	-62.3	-28.7	0	0	0	116.8
1812	Y	30.1	Very low	31.3	Very low	201 Å²	201	148.9 Å²	148.9	79%	0.788	73%	0.727	S	S	*	*			trans	80.3	136.8	149.8	-69.9	-88.8	0	0	0	116.5	Q1810	Q1810-Y1812 HydrophobicContact CG-CE2 4.12Å; Q1810-Y1812 PolarHBondContact NE2-OH 3.06Å
1813	E	31.6	Very low	31.1	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.752	73%	0.725	S	S	*	*				49.7	149.4	116.3	-79.1	-176.2	132.4	0	0	116.4
1814	T	31.3	Very low	31.1	Very low	114.8 Å²	114.8	155.6 Å²	155.6	70%	0.704	73%	0.733	S	S	*	*			trans	-176.4	142.9	141.6	-8.3	0	0	0	0	114.7
1815	S	29.3	Very low	31	Very low	89.8 Å²	89.8	149.3 Å²	149.3	63%	0.628	72%	0.723	S	S	*	*			trans	108.4	130.7	144.5	-63.7	0	0	0	0	116.9
1816	H	32.7	Very low	30.9	Very low	164.8 Å²	164.8	152.3 Å²	152.3	76%	0.763	73%	0.725	S	S	*	*				-120.5	138.9	127.1	-75.5	-32.3	0	0	0	111.4
1817	R	32.5	Very low	30.9	Very low	204.8 Å²	204.8	152.5 Å²	152.5	77%	0.773	73%	0.731	S	S	*	*				-169.2	104.7	57.7	-138.8	178.6	-166.4	-161.4	2.5	111.3
1818	I	32.3	Very low	30.8	Very low	126.2 Å²	126.2	149.7 Å²	149.7	65%	0.647	73%	0.731	S	S	*	*				39.4	122.3	114.3	-62.8	164.8	0	0	0	113.5
1819	K	34.2	Very low	30.7	Very low	165.4 Å²	165.4	149.2 Å²	149.2	72%	0.719	73%	0.732	S	S	*	*			trans	-174.5	142.9	138.2	-96.5	169.7	-175	-176.3	0	114.7	N1690 D1693	N1690-K1819 VanDerWaalsContact ND2-CD 3.28Å; N1690-K1819 WeakPolarHBondContact ND2-CD 3.41Å; N1690-K1819 PolarHBondContact ND2-NZ 2.95Å; D1693-K1819 WeakPolarHBondContact OD1-CE 3.31Å; D1693-K1819 IonicContact OD1-NZ 2.67Å; D1693-K1819 PolarHBondContact OD1-NZ 2.97Å; D1693-K1819 WeakPolarHBondContact OD2-CE 3.37Å; D1693-K1819 IonicContact OD2-NZ 2.6Å; D1693-K1819 PolarHBondContact OD2-NZ 3.41Å
1820	R	31	Very low	30.6	Very low	217.6 Å²	217.6	149.4 Å²	149.4	82%	0.821	73%	0.733	S	S	*	*			trans	-82	146.4	166.9	-60.3	173.3	177.7	165.1	-2.9	112.8
1821	G	30.4	Very low	30.5	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	74%	0.741	S	S	*	*				150.1	127.7	116.4	0	0	0	0	0	112.5	T2655	G1821-T2655 VanDerWaalsContact O-CG2 3.28Å; G1821-T2655 WeakPolarHBondContact O-CG2 3.36Å
1822	N	32.4	Very low	30.4	Very low	145.2 Å²	145.2	150 Å²	150	78%	0.776	74%	0.739	S	S	*	*			trans	-148.9	154	-157.5	-115.9	-3.4	0	0	0	112.5	T2657	N1822-T2657 WeakPolarHBondContact CA-OG1 3.31Å; N1822-T2657 WeakPolarHBondContact CB-OG1 3.46Å; N1822-T2657 PolarHBondContact OD1-OG1 2.92Å
1823	L	30	Very low	30.3	Very low	136.4 Å²	136.4	149.6 Å²	149.6	71%	0.714	74%	0.741	S	S	*	*			trans	24.3	125.9	152.5	-68.5	164.9	0	0	0	116.8	T2655 T2657	L1823-T2655 CarbonylContact C-O 3.42Å; L1823-T2655 VanDerWaalsContact C-O 3.27Å; L1823-T2655 WeakPolarHBondContact CA-O 3.45Å; L1823-T2655 PolarHBondContact N-O 2.91Å; L1823-T2657 VanDerWaalsContact CD2-N 3.35Å; L1823-T2657 WeakPolarHBondContact CD2-O 3.4Å; L1823-T2657 PolarHBondContact N-OG1 3.3Å; L1823-T2657 VanDerWaalsContact N-OG1 3.14Å
1824	R	29.8	Very low	30.2	Very low	212.2 Å²	212.2	152.3 Å²	152.3	80%	0.801	75%	0.746	S	S	*	*				-170.3	149.1	100.6	-96.1	175.1	173.4	-123.1	0.2	115.6	Y1826 T2655	R1824-Y1826 HydrophobicContact CB-CD2 4.42Å; R1824-Y1826 PolarHBondContact NH1-OH 3.06Å; R1824-Y1826 VanDerWaalsContact NH1-OH 3.09Å; R1824-T2655 PolarHBondContact N-O 3.48Å
1825	S	27.6	Very low	30.1	Very low	89.2 Å²	89.2	152.9 Å²	152.9	62%	0.624	75%	0.75	S	S	*	*			trans	-15.3	141.9	146.6	60.7	0	0	0	0	115.4
1826	Y	29.6	Very low	30.2	Very low	213.8 Å²	213.8	153.5 Å²	153.5	84%	0.838	75%	0.752	S	S	*	*			trans	174.6	122.4	148.5	-83.1	-80.3	0	0	0	115.5	R1824	R1824-Y1826 HydrophobicContact CB-CD2 4.42Å; R1824-Y1826 PolarHBondContact NH1-OH 3.06Å; R1824-Y1826 VanDerWaalsContact NH1-OH 3.09Å
1827	T	29.9	Very low	30	Very low	126.8 Å²	126.8	153.4 Å²	153.4	78%	0.778	75%	0.752	S	S	*	*			trans	-93.2	153.2	152.1	50.6	0	0	0	0	110
1828	P	31.7	Very low	30	Very low	114 Å²	114	149.5 Å²	149.5	74%	0.74	75%	0.751	S	S	*	*				-138	156.8	106.3	36.1	-20.3	0	0	0	115.6
1829	T	27.1	Very low	29.8	Very low	116.8 Å²	116.8	151.1 Å²	151.1	72%	0.717	75%	0.753	S	S	*	*			trans	36.5	138.5	145.8	58.8	0	0	0	0	116.4
1830	Y	27.8	Very low	29.6	Very low	206.8 Å²	206.8	154.2 Å²	154.2	81%	0.811	76%	0.76	S	S	*	*				96.4	137.6	110.6	-89.6	-64	0	0	0	114.9
1831	K	29.8	Very low	29.5	Very low	190.8 Å²	190.8	148.8 Å²	148.8	83%	0.83	76%	0.756	S	S	*	*				-137.5	164.7	97	-95.4	163.5	-176.3	177.2	0	110.3
1832	S	27.9	Very low	29.5	Very low	87.4 Å²	87.4	152.7 Å²	152.7	61%	0.611	76%	0.761	S	S	*	*			cis	-133.9	165.4	11.1	57.8	0	0	0	0	113.2
1833	F	26.7	Very low	29.4	Very low	191.4 Å²	191.4	152.8 Å²	152.8	84%	0.839	76%	0.762	S	S	*	*			trans	29.4	140.9	162	-57.6	-74	0	0	0	114.9
1834	Y	30.5	Very low	29.4	Very low	219 Å²	219	151.2 Å²	151.2	86%	0.859	76%	0.762	S	S	*	*				-147.7	144.4	94	-118	-91.1	0	0	0	113.3
1835	T	29.5	Very low	29.4	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	76%	0.76	S	S	*	*			trans	-113.1	151	165.1	42	0	0	0	0	109.8
1836	P	30.9	Very low	29.5	Very low	102.8 Å²	102.8	154 Å²	154	67%	0.668	77%	0.771	S	S	*	*				-135.5	179.2	76.5	39.5	-22.9	0	0	0	115.9
1837	Q	28.9	Very low	29.5	Very low	162 Å²	162	150.7 Å²	150.7	76%	0.757	77%	0.767	S	S	*	*			trans	65.4	136.1	158.3	-64.2	-134	1	0	0	116.9	Y1722	Y1722-Q1837 PolarHBondContact OH-NE2 3.47Å
1838	T	31.4	Very low	29.5	Very low	123 Å²	123	152.8 Å²	152.8	76%	0.755	77%	0.768	S	S	*	*				170.2	155.1	97.3	36.5	0	0	0	0	113.6
1839	K	29.2	Very low	29.4	Very low	159.8 Å²	159.8	153.9 Å²	153.9	70%	0.695	77%	0.772	S	S	*	*			trans	-97	132.9	159.2	-73.9	178.8	-179.2	179.7	0	113.1	F2460 V2463	K1839-F2460 HydrophobicContact CB-CE1 3.4Å; K1839-F2460 HydrophobicContact CB-CZ 3.62Å; K1839-F2460 HydrophobicContact CD-CD1 4.13Å; K1839-F2460 HydrophobicContact CD-CE1 3.49Å; K1839-F2460 VanDerWaalsContact CD-CE1 3.49Å; K1839-F2460 HydrophobicContact CD-CZ 3.83Å; K1839-F2460 HydrophobicContact CG-CD1 4.13Å; K1839-F2460 HydrophobicContact CG-CE1 3.32Å; K1839-F2460 HydrophobicContact CG-CZ 3.95Å; K1839-V2463 VanDerWaalsContact CE-CG2 3.45Å
1840	W	28.5	Very low	29.5	Very low	229.8 Å²	229.8	151.4 Å²	151.4	87%	0.87	77%	0.77	S	S	*	*			trans	61.2	120	140.5	-66.1	20.8	0	0	0	115.2	N1842	W1840-N1842 VanDerWaalsContact C-N 3.26Å; W1840-N1842 PolarHBondContact O-N 3.04Å
1841	S	29.5	Very low	29.4	Very low	104.6 Å²	104.6	146.3 Å²	146.3	73%	0.731	77%	0.765	S	S	*	*				-128.3	130.9	110.9	50.1	0	0	0	0	111
1842	N	29.7	Very low	29.4	Very low	148.6 Å²	148.6	146.9 Å²	146.9	80%	0.795	76%	0.763	S	S	*	*			trans	93.5	132.3	150.1	-81.2	15.9	0	0	0	115.2	W1840	W1840-N1842 VanDerWaalsContact C-N 3.26Å; W1840-N1842 PolarHBondContact O-N 3.04Å
1843	D	30.9	Very low	29.5	Very low	147.4 Å²	147.4	152.1 Å²	152.1	79%	0.788	78%	0.775	S	S	*	*			trans	-118.2	162.6	143.8	-79.1	-45.5	0	0	0	114.6
1844	S	30.4	Very low	29.6	Very low	101.4 Å²	101.4	147.8 Å²	147.8	71%	0.709	77%	0.769	S	S	*	*			trans	74.5	130.9	175.1	70	0	0	0	0	116.8
1845	N	29.5	Very low	29.6	Very low	144.4 Å²	144.4	144.9 Å²	144.9	77%	0.772	77%	0.767	S	S	*	*			trans	51.4	119.7	135.5	-63.6	-13.9	0	0	0	118.2
1846	Y	29.2	Very low	29.8	Very low	215.6 Å²	215.6	143.9 Å²	143.9	85%	0.845	76%	0.763	S	S	*	*			trans	175.9	136.4	145.8	-84.5	-80.9	0	0	0	113.5
1847	L	31.2	Very low	29.8	Very low	145.4 Å²	145.4	146.1 Å²	146.1	76%	0.761	77%	0.768	S	S	*	*			trans	61.5	135.5	149.7	-65.5	164.3	0	0	0	115.8
1848	E	28.7	Very low	29.8	Very low	170.4 Å²	170.4	145 Å²	145	80%	0.796	77%	0.768	S	S	*	*			cis	168.7	164.7	24.8	-106.9	174.4	142.2	0	0	114.2
1849	V	29.6	Very low	29.8	Very low	136.6 Å²	136.6	144.6 Å²	144.6	83%	0.828	76%	0.761	S	S	*	*			trans	56.5	123.4	153.5	-171.9	0	0	0	0	115
1850	G	28.7	Very low	29.8	Very low	65 Å²	65	145.6 Å²	145.6	67%	0.67	76%	0.762	S	S	*	*				122.6	116.1	103	0	0	0	0	0	115
1851	S	26.7	Very low	29.9	Very low	100.2 Å²	100.2	142.2 Å²	142.2	70%	0.701	76%	0.755	S	S	*	*			trans	80.9	138.2	145.9	-178.6	0	0	0	0	114.1
1852	Y	29.1	Very low	29.9	Very low	203 Å²	203	146.3 Å²	146.3	80%	0.796	76%	0.755	S	S	*	*				47.4	133.6	120.4	-64.2	-86.3	0	0	0	118.1
1853	F	30.1	Very low	30	Very low	196 Å²	196	147.7 Å²	147.7	86%	0.86	75%	0.754	S	S	*	*			trans	97.4	147	137.6	-82.8	-86.1	0	0	0	116.1
1854	S	30.2	Very low	30	Very low	101.6 Å²	101.6	144.1 Å²	144.1	71%	0.71	75%	0.751	S	S	*	*			trans	-162.9	127.4	163.4	-65.7	0	0	0	0	113.5
1855	L	29.3	Very low	30.1	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	75%	0.752	S	S	*	*			trans	-50.6	154.8	138.7	-72.2	169.7	0	0	0	111.8
1856	P	34.1	Very low	30.2	Very low	106.6 Å²	106.6	148 Å²	148	69%	0.692	75%	0.754	S	S	*	*				-124.1	164.6	78.3	21.9	-5	0	0	0	114.4
1857	L	31.2	Very low	30.4	Very low	148.2 Å²	148.2	146.5 Å²	146.5	78%	0.776	75%	0.754	S	S	*	*			trans	145.9	138.8	136.9	-76.7	151.7	0	0	0	113.2
1858	N	29.6	Very low	30.4	Very low	139.4 Å²	139.4	144.6 Å²	144.6	75%	0.745	75%	0.753	S	S	*	*				-174.4	139.1	102.3	-75.9	-12.4	0	0	0	114.5
1859	D	30.3	Very low	30.6	Very low	113.6 Å²	113.6	147.7 Å²	147.7	61%	0.607	76%	0.757	S	S	*	*			trans	178.1	160.4	134.4	-100.8	-27.5	0	0	0	115
1860	Y	28.8	Very low	30.7	Very low	182.8 Å²	182.8	146.1 Å²	146.1	72%	0.717	75%	0.75	S	S	*	*				103.2	141.4	122	-78.3	-63.9	0	0	0	117.7
1861	H	32	Very low	30.8	Very low	157.2 Å²	157.2	148.7 Å²	148.7	73%	0.728	75%	0.753	S	S	*	*				123.2	145	88.7	-89	-31.6	0	0	0	117.4
1862	R	28.6	Very low	30.9	Very low	191.6 Å²	191.6	151 Å²	151	72%	0.723	76%	0.756	S	S	*	*				133.3	124.7	114.3	-105.5	-179.7	-162	-111.3	1.4	115.5	V1772	V1772-R1862 PolarHBondContact O-NH1 2.96Å
1863	K	32.3	Very low	30.9	Very low	177.6 Å²	177.6	148.1 Å²	148.1	77%	0.772	75%	0.754	S	S	*	*			trans	37.9	138.9	142.9	-60.2	173.2	174.5	-176.6	0	115.3	N1770 D1771	N1770-K1863 HydrophobicContact CB-CD 4.01Å; N1770-K1863 PolarHBondContact O-NZ 2.73Å; D1771-K1863 WeakPolarHBondContact OD1-CD 3.5Å; D1771-K1863 WeakPolarHBondContact OD1-CE 3.28Å; D1771-K1863 IonicContact OD1-NZ 3.14Å; D1771-K1863 PolarHBondContact OD1-NZ 3.42Å; D1771-K1863 IonicContact OD2-NZ 3.04Å; D1771-K1863 PolarHBondContact OD2-NZ 2.63Å
1864	G	30.9	Very low	30.8	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	74%	0.744	S	S	*	*				159.1	169.6	95.9	0	0	0	0	0	116.7
1865	I	32.9	Very low	30.6	Very low	143.8 Å²	143.8	145.3 Å²	145.3	74%	0.737	74%	0.744	S	S	*	*			trans	85.5	112	172.2	-63.7	171.5	0	0	0	117.3	E1773	E1773-I1865 HydrophobicContact CB-CD1 4.39Å; E1773-I1865 VanDerWaalsContact CD-CD1 3.43Å; E1773-I1865 HydrophobicContact CG-CD1 4.24Å; E1773-I1865 VanDerWaalsContact OE1-CG2 3.27Å; E1773-I1865 WeakPolarHBondContact OE1-CG2 3.32Å; E1773-I1865 WeakPolarHBondContact OE2-CD1 3.43Å
1866	K	31.3	Very low	30.7	Very low	185 Å²	185	145 Å²	145	80%	0.804	74%	0.738	S	S	*	*			trans	5.8	138.7	143.5	-55.9	177.5	-178.1	179.9	0	118.2
1867	H	32.6	Very low	30.3	Very low	183.8 Å²	183.8	149.6 Å²	149.6	85%	0.851	74%	0.742	S	S	*	*				-158	161	125.8	-94.4	-55.8	0	0	0	111.1
1868	S	32	Very low	30.2	Very low	106.2 Å²	106.2	152 Å²	152	74%	0.743	74%	0.742	S	S	*	*			trans	-131.2	148.2	-168.7	41.7	0	0	0	0	115.6
1869	R	31.6	Very low	30	Very low	235 Å²	235	151.6 Å²	151.6	89%	0.887	74%	0.74	S	S	*	*				-91.7	167.9	125.5	-109.4	-171.5	-179.6	-174.6	0.4	113.1
1870	P	31.6	Very low	29.9	Very low	103.2 Å²	103.2	152.8 Å²	152.8	67%	0.67	75%	0.745	S	S	*	*			trans	-129.7	-173.9	143.8	40.2	-24.2	0	0	0	116
1871	T	31.4	Very low	29.8	Very low	118.6 Å²	118.6	148.1 Å²	148.1	73%	0.728	74%	0.739	S	S	*	*			trans	72.8	139.7	167.1	40.9	0	0	0	0	117.9
1872	L	29.4	Very low	29.5	Very low	148.6 Å²	148.6	145 Å²	145	78%	0.778	74%	0.735	S	S	*	*				148.1	139.5	111.1	-82.6	167	0	0	0	113.1
1873	L	27.8	Very low	29.5	Very low	143.2 Å²	143.2	142.7 Å²	142.7	75%	0.75	74%	0.736	S	S	*	*				111	149.5	100.1	-83	165.2	0	0	0	115.4	I1883	L1873-I1883 WeakPolarHBondContact O-CG1 3.36Å
1874	T	29.4	Very low	29.3	Very low	104 Å²	104	142.5 Å²	142.5	64%	0.638	74%	0.738	S	S	*	*			trans	170.4	146.3	149.2	27.4	0	0	0	0	114.8	S1882	T1874-S1882 VanDerWaalsContact CB-N 3.27Å; T1874-S1882 WeakPolarHBondContact OG1-CA 3.43Å; T1874-S1882 PolarHBondContact OG1-N 3.49Å
1875	N	26.5	Very low	29.3	Very low	133.2 Å²	133.2	146.4 Å²	146.4	71%	0.712	74%	0.741	S	S	*	*				61.5	148.2	121.9	-87.4	-23.6	0	0	0	116.7	L1880 S1882	N1875-L1880 WeakPolarHBondContact CB-O 3.25Å; N1875-L1880 PolarHBondContact ND2-O 2.98Å; N1875-S1882 WeakPolarHBondContact O-CB 3.35Å
1876	Q	30.6	Very low	29.3	Very low	152.2 Å²	152.2	144.7 Å²	144.7	71%	0.711	74%	0.739	S	S	*	*			trans	121.6	135.1	145.3	-82	177.8	30.2	0	0	116.4	D1879	Q1876-D1879 WeakPolarHBondContact CG-OD1 3.46Å; Q1876-D1879 PolarHBondContact NE2-OD1 2.91Å
1877	R	24.8	Very low	29.2	Very low	204.4 Å²	204.4	142.4 Å²	142.4	77%	0.771	73%	0.734	S	S	*	*				175.6	150	108.5	-72.2	172.9	175.3	175.5	-3.8	114.8
1878	Y	29	Very low	29.1	Very low	198.2 Å²	198.2	141.4 Å²	141.4	78%	0.777	73%	0.73	S	S	*	*			trans	109	135	148.4	-69.9	-70.1	0	0	0	114.2
1879	D	26.5	Very low	28.9	Very low	130.8 Å²	130.8	144 Å²	144	70%	0.699	73%	0.73	S	S	*	*			cis	166	159.2	20.2	-106.3	-39.4	0	0	0	113.4	Q1876	Q1876-D1879 WeakPolarHBondContact CG-OD1 3.46Å; Q1876-D1879 PolarHBondContact NE2-OD1 2.91Å
1880	L	27.2	Very low	28.9	Very low	137.6 Å²	137.6	141.9 Å²	141.9	72%	0.72	73%	0.728	S	S	*	*				172.9	130.1	114.3	-120	95.8	0	0	0	114.8	N1875	N1875-L1880 WeakPolarHBondContact CB-O 3.25Å; N1875-L1880 PolarHBondContact ND2-O 2.98Å
1881	S	26.8	Very low	28.8	Very low	85.2 Å²	85.2	142.6 Å²	142.6	60%	0.596	73%	0.729	S	S	*	*			trans	19.9	148.7	150.8	64.6	0	0	0	0	120.4
1882	S	26.9	Very low	28.8	Very low	91 Å²	91	141.6 Å²	141.6	64%	0.636	73%	0.728	S	S	*	*				95.5	134.1	126	-17.4	0	0	0	0	117	T1874 N1875	T1874-S1882 VanDerWaalsContact CB-N 3.27Å; T1874-S1882 WeakPolarHBondContact OG1-CA 3.43Å; T1874-S1882 PolarHBondContact OG1-N 3.49Å; N1875-S1882 WeakPolarHBondContact O-CB 3.35Å
1883	I	28.6	Very low	28.7	Very low	144.6 Å²	144.6	139.1 Å²	139.1	74%	0.742	72%	0.722	S	S	*	*			trans	71.8	121.1	146.2	-64.7	162.7	0	0	0	112.6	L1873	L1873-I1883 WeakPolarHBondContact O-CG1 3.36Å
1884	E	27.6	Very low	28.9	Very low	172.2 Å²	172.2	138.9 Å²	138.9	81%	0.805	72%	0.722	S	S	*	*				-141.5	162.8	86.3	-99.7	155.8	-168.9	0	0	114.1
1885	L	31.1	Very low	28.9	Very low	152.6 Å²	152.6	141.3 Å²	141.3	80%	0.799	73%	0.726	S	S	*	*				-25.4	156.2	129.8	-77.9	152.3	0	0	0	115.5	I1887	L1885-I1887 HydrophobicContact CB-CD1 4.1Å; L1885-I1887 HydrophobicContact CB-CG1 4.14Å; L1885-I1887 HydrophobicContact CD1-CD1 4.45Å; L1885-I1887 HydrophobicContact CD1-CG1 4.41Å; L1885-I1887 HydrophobicContact CD2-CG1 4.18Å; L1885-I1887 HydrophobicContact CG-CG1 4.49Å
1886	P	32.7	Very low	29	Very low	109 Å²	109	145.2 Å²	145.2	71%	0.708	73%	0.731	S	S	*	*				-126.7	167.6	98	36.7	-21.4	0	0	0	115.9
1887	I	29.2	Very low	29	Very low	136.6 Å²	136.6	143.5 Å²	143.5	70%	0.701	73%	0.727	S	S	*	*				133.1	127.1	127.6	-83.5	158.2	0	0	0	115.8	L1885	L1885-I1887 HydrophobicContact CB-CD1 4.1Å; L1885-I1887 HydrophobicContact CB-CG1 4.14Å; L1885-I1887 HydrophobicContact CD1-CD1 4.45Å; L1885-I1887 HydrophobicContact CD1-CG1 4.41Å; L1885-I1887 HydrophobicContact CD2-CG1 4.18Å; L1885-I1887 HydrophobicContact CG-CG1 4.49Å
1888	H	31.3	Very low	29.3	Very low	162.6 Å²	162.6	142.2 Å²	142.2	75%	0.753	73%	0.727	S	S	*	*			trans	78.3	125.4	151	-78.1	-87.4	0	0	0	118.7	K1890	H1888-K1890 PolarHBondContact O-N 3.36Å
1889	Q	27.9	Very low	29.2	Very low	160.6 Å²	160.6	137.3 Å²	137.3	75%	0.75	72%	0.721	S	S	*	*				120	126.4	93.3	-122.5	-172.9	4.1	0	0	114.5	V1891	Q1889-V1891 HydrophobicContact CB-CG2 4.08Å; Q1889-V1891 HydrophobicContact CG-CG2 3.52Å
1890	K	29.9	Very low	29.3	Very low	191.8 Å²	191.8	137.4 Å²	137.4	83%	0.834	72%	0.722	S	S	*	*				-156.8	139.9	119.5	-136.4	178.9	176.1	-174.8	0	110.2	H1888	H1888-K1890 PolarHBondContact O-N 3.36Å
1891	V	30.4	Very low	29.4	Very low	116.8 Å²	116.8	137.6 Å²	137.6	71%	0.708	72%	0.719	S	S	*	*			trans	56.5	137.8	142.9	-173.8	0	0	0	0	113.9	Q1889	Q1889-V1891 HydrophobicContact CB-CG2 4.08Å; Q1889-V1891 HydrophobicContact CG-CG2 3.52Å
1892	S	30.6	Very low	29.5	Very low	99.2 Å²	99.2	142.6 Å²	142.6	69%	0.694	73%	0.726	S	S	*	*			cis	-138.3	161.9	-38.2	9.4	0	0	0	0	110.5	D1894	S1892-D1894 WeakPolarHBondContact CB-OD1 3.14Å; S1892-D1894 PolarHBondContact OG-OD1 3.41Å
1893	S	28.4	Very low	29.6	Very low	95.4 Å²	95.4	145.8 Å²	145.8	67%	0.667	74%	0.735	S	S	*	*				55.2	142.6	123.7	77.3	0	0	0	0	113.9
1894	D	31	Very low	29.6	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	74%	0.74	S	S	*	*			cis	-165.1	152.4	38.4	-70.5	-32.3	0	0	0	111.6	S1892	S1892-D1894 WeakPolarHBondContact CB-OD1 3.14Å; S1892-D1894 PolarHBondContact OG-OD1 3.41Å
1895	E	30.6	Very low	29.6	Very low	154.4 Å²	154.4	147.5 Å²	147.5	72%	0.721	74%	0.74	S	S	*	*				158	152.3	85.8	-123.5	-165.9	160	0	0	116.7	N1897	E1895-N1897 PolarHBondContact OE1-ND2 3.23Å
1896	W	28.6	Very low	29.4	Very low	215 Å²	215	150.3 Å²	150.3	81%	0.814	74%	0.74	S	S	*	*			trans	78.2	135.4	153.5	-76.2	16.9	0	0	0	118.9
1897	N	29.7	Very low	29.3	Very low	116.2 Å²	116.2	152.9 Å²	152.9	62%	0.621	75%	0.746	S	S	*	*				-168	140.2	115.9	-98.8	-58.9	0	0	0	114.2	E1895	E1895-N1897 PolarHBondContact OE1-ND2 3.23Å
1898	K	30.9	Very low	29.3	Very low	177.4 Å²	177.4	149.3 Å²	149.3	77%	0.771	74%	0.743	S	S	*	*			trans	70.4	123.2	141.5	-60.1	173.6	-175.1	155.4	0	118
1899	S	28.3	Very low	29.2	Very low	94.8 Å²	94.8	149.4 Å²	149.4	66%	0.663	75%	0.749	S	S	*	*				112.6	124.9	77.2	65	0	0	0	0	113.6
1900	D	28.1	Very low	29.2	Very low	133.2 Å²	133.2	149.3 Å²	149.3	71%	0.712	75%	0.753	S	S	*	*				164	141.7	123.7	-71	-32.4	0	0	0	113.8	N2362	D1900-N2362 PolarHBondContact OD2-ND2 2.88Å
1901	H	29.5	Very low	29.2	Very low	142.4 Å²	142.4	145.1 Å²	145.1	66%	0.659	75%	0.748	S	S	*	*				168.9	146.2	103.4	-106.9	-56.7	0	0	0	113.5	N2362	H1901-N2362 PolarHBondContact NE2-OD1 2.84Å; H1901-N2362 VanDerWaalsContact NE2-OD1 3.09Å
1902	Y	27.5	Very low	29.1	Very low	190 Å²	190	149.5 Å²	149.5	75%	0.745	76%	0.758	S	S	*	*			trans	59.1	110.9	164.2	-60.4	-71.5	0	0	0	118.3
1903	L	29.4	Very low	29.1	Very low	157 Å²	157	149.5 Å²	149.5	82%	0.822	76%	0.757	S	S	*	*				160.3	94.9	118.5	-85.1	174.3	0	0	0	115.7
1904	T	28.2	Very low	29.2	Very low	136.8 Å²	136.8	150.9 Å²	150.9	84%	0.839	76%	0.762	S	S	*	*			trans	-25.1	121.1	154	-10.6	0	0	0	0	115.1
1905	R	28.2	Very low	29.2	Very low	217.4 Å²	217.4	147.2 Å²	147.2	82%	0.82	76%	0.757	S	S	*	*			trans	-154.6	111.4	146.3	-176.6	177.3	-73.9	-142.7	-1.7	113.1
1906	R	27.3	Very low	29.3	Very low	210.4 Å²	210.4	148.6 Å²	148.6	79%	0.794	76%	0.763	S	S	*	*			trans	63	108.8	155.2	-67	-177.9	-136.8	-169	0.8	117.3	S1957	R1906-S1957 PolarHBondContact NH1-OG 3.27Å
1907	I	31	Very low	29.3	Very low	163.6 Å²	163.6	145.9 Å²	145.9	84%	0.839	76%	0.764	S	S	*	*			trans	-170.7	131.4	136.9	-67.7	163.9	0	0	0	108.4	L2043	I1907-L2043 HydrophobicContact CD1-CB 3.58Å; I1907-L2043 HydrophobicContact CD1-CD2 4.5Å
1908	G	29.5	Very low	29.3	Very low	62.2 Å²	62.2	145.3 Å²	145.3	64%	0.641	77%	0.769	S	S	*	*			trans	-169.1	139.5	166.8	0	0	0	0	0	113.3	L1910	G1908-L1910 PolarHBondContact O-N 3.28Å
1909	N	27.8	Very low	29.3	Very low	163.4 Å²	163.4	144.1 Å²	144.1	87%	0.874	77%	0.766	S	S	*	*			trans	-43.6	119	172.6	-57.6	-19.1	0	0	0	115
1910	L	28.1	Very low	29.4	Very low	158.6 Å²	158.6	144.8 Å²	144.8	83%	0.83	76%	0.762	S	S	*	*			trans	-162.6	131.3	157.8	-67.9	153.5	0	0	0	113.5	G1908	G1908-L1910 PolarHBondContact O-N 3.28Å
1911	S	29.4	Very low	29.5	Very low	104.2 Å²	104.2	144.3 Å²	144.3	73%	0.729	76%	0.759	S	S	*	*			trans	53.7	116.8	138.9	-102.6	0	0	0	0	115.6	S1913	S1911-S1913 PolarHBondContact O-N 2.81Å
1912	K	29.7	Very low	29.6	Very low	209.6 Å²	209.6	144 Å²	144	91%	0.911	76%	0.762	S	S	*	*			trans	-151.6	78.1	142.8	-75.1	178.3	179.8	-179.1	0	113.4
1913	S	30.1	Very low	29.8	Very low	97.6 Å²	97.6	141.6 Å²	141.6	68%	0.683	76%	0.761	S	S	*	*			trans	-149.3	86.5	142.9	91.2	0	0	0	0	111.6	S1911 E1945	S1911-S1913 PolarHBondContact O-N 2.81Å; S1913-E1945 PolarHBondContact OG-OE1 3.05Å
1914	T	30.6	Very low	29.9	Very low	125.2 Å²	125.2	141.4 Å²	141.4	77%	0.768	76%	0.761	S	S	*	*			trans	-67	103.5	157.1	54.3	0	0	0	0	113	H1916 L1917	T1914-H1916 PolarHBondContact O-N 2.96Å; T1914-L1917 PolarHBondContact O-N 2.82Å; T1914-L1917 VanDerWaalsContact O-N 3.13Å
1915	G	29.9	Very low	30.1	Very low	62.6 Å²	62.6	143.2 Å²	143.2	65%	0.645	76%	0.757	S	S	*	*			trans	143.7	63.8	-177.3	0	0	0	0	0	115.8
1916	H	33.2	Very low	30.1	Very low	182.2 Å²	182.2	141.3 Å²	141.3	84%	0.844	76%	0.755	S	S	*	*			trans	-149.9	65.5	165.9	-88.9	-73.5	0	0	0	113.5	T1914 S1918	T1914-H1916 PolarHBondContact O-N 2.96Å; H1916-S1918 WeakPolarHBondContact CB-OG 3.34Å; H1916-S1918 PolarHBondContact O-N 3.17Å
1917	L	29.3	Very low	30.2	Very low	159.4 Å²	159.4	135.5 Å²	135.5	84%	0.835	75%	0.747	S	S	*	*			trans	-92.3	59	166.2	-69.3	177	0	0	0	111.6	T1914 H1919	T1914-L1917 PolarHBondContact O-N 2.82Å; T1914-L1917 VanDerWaalsContact O-N 3.13Å; L1917-H1919 PolarHBondContact O-N 3.15Å
1918	S	28.9	Very low	30.3	Very low	103.2 Å²	103.2	134.2 Å²	134.2	72%	0.722	74%	0.742	S	S	*	*			trans	-114.5	82.4	167.5	57.1	0	0	0	0	111.1	H1916	H1916-S1918 WeakPolarHBondContact CB-OG 3.34Å; H1916-S1918 PolarHBondContact O-N 3.17Å
1919	H	30.5	Very low	30.4	Very low	151.4 Å²	151.4	135.4 Å²	135.4	70%	0.701	74%	0.739	S	S	*	*			trans	-174.6	102.6	164.3	-151	-66.2	0	0	0	110.5	N1608 F1609 L1917 D1921	N1608-H1919 WeakPolarHBondContact O-CA 3.44Å; N1608-H1919 PolarHBondContact O-N 2.85Å; F1609-H1919 PolarHBondContact N-CD2 2.78Å; F1609-H1919 CarbonylContact O-C 2.84Å; F1609-H1919 WeakPolarHBondContact O-CA 3.32Å; F1609-H1919 WeakPolarHBondContact O-CB 3.03Å; F1609-H1919 PolarHBondContact O-ND1 2.9Å; L1917-H1919 PolarHBondContact O-N 3.15Å; H1919-D1921 IonicContact ND1-OD2 2.73Å
1920	L	31.7	Very low	31	Very low	110.6 Å²	110.6	132.9 Å²	132.9	58%	0.579	73%	0.73	S	S	*	*			trans	-143.2	101.7	172.3	-83.8	167.8	0	0	0	112.1	N1608 F1609 P1610 T1611 D1922 L1923 F1926	N1608-L1920 VanDerWaalsContact C-N 3.26Å; N1608-L1920 PolarHBondContact N-O 2.69Å; N1608-L1920 PolarHBondContact O-N 3.49Å; N1608-L1920 VanDerWaalsContact O-N 3.15Å; F1609-L1920 VanDerWaalsContact N-N 3.19Å; F1609-L1920 WeakPolarHBondContact O-CA 3.25Å; F1609-L1920 PolarHBondContact O-N 3.2Å; P1610-L1920 HydrophobicContact CB-CD2 4.28Å; T1611-L1920 HydrophobicContact CG2-CD1 3.85Å; L1920-D1922 PolarHBondContact O-N 2.93Å; L1920-L1923 HydrophobicContact CD2-CD1 4Å; L1920-L1923 HydrophobicContact CD2-CG 4.46Å; L1920-L1923 WeakPolarHBondContact O-CD1 3.16Å; L1920-F1926 HydrophobicContact CD2-CD2 3.95Å; L1920-F1926 HydrophobicContact CD2-CE2 3.49Å; L1920-F1926 VanDerWaalsContact CD2-CE2 3.49Å; L1920-F1926 HydrophobicContact CD2-CZ 3.99Å
1921	D	30.1	Very low	31.9	Very low	122.8 Å²	122.8	128.2 Å²	128.2	66%	0.657	71%	0.711	S	S	*	*			trans	-50.9	50.1	161	-65.3	-55.8	0	0	0	112.8	D1607 N1608 F1609 H1919 L1923	D1607-D1921 HydrophobicContact CB-CB 4.45Å; N1608-D1921 WeakPolarHBondContact CA-OD2 3.37Å; N1608-D1921 HydrophobicContact CB-CB 4.36Å; N1608-D1921 WeakPolarHBondContact CB-OD2 3.49Å; N1608-D1921 PolarHBondContact N-OD2 2.92Å; N1608-D1921 PolarHBondContact ND2-OD2 2.88Å; F1609-D1921 HydrophobicContact CD1-CB 3.36Å; F1609-D1921 HydrophobicContact CE1-CB 3.75Å; F1609-D1921 HydrophobicContact CG-CB 4.19Å; H1919-D1921 IonicContact ND1-OD2 2.73Å; D1921-L1923 PolarHBondContact O-N 2.85Å
1922	D	30.6	Very low	32.6	Very low	136.8 Å²	136.8	127.5 Å²	127.5	73%	0.732	70%	0.697	S	S	*	*			trans	-136	80.2	156.5	-89.9	-24.5	0	0	0	112.7	L1920 N1924 K1925	L1920-D1922 PolarHBondContact O-N 2.93Å; D1922-N1924 PolarHBondContact O-N 3.4Å; D1922-N1924 VanDerWaalsContact O-N 3.16Å; D1922-K1925 PolarHBondContact O-N 3.17Å; D1922-K1925 VanDerWaalsContact O-N 3.07Å
1923	L	32.1	Very low	33.6	Very low	137.8 Å²	137.8	123.8 Å²	123.8	72%	0.721	68%	0.683	S	S	*	*			trans	-113.1	59.5	170.5	-78.8	159.3	0	0	0	114.9	L1920 D1921 K1925 F1926	L1920-L1923 HydrophobicContact CD2-CD1 4Å; L1920-L1923 HydrophobicContact CD2-CG 4.46Å; L1920-L1923 WeakPolarHBondContact O-CD1 3.16Å; D1921-L1923 PolarHBondContact O-N 2.85Å; L1923-K1925 VanDerWaalsContact C-N 3.29Å; L1923-K1925 HydrophobicContact CD2-CB 4.45Å; L1923-K1925 PolarHBondContact O-N 2.89Å; L1923-K1925 VanDerWaalsContact O-N 3.1Å; L1923-F1926 HydrophobicContact CD1-CD2 4.26Å; L1923-F1926 HydrophobicContact CD1-CE2 3.9Å; L1923-F1926 HydrophobicContact CD2-CD2 4.05Å; L1923-F1926 HydrophobicContact CD2-CE2 3.64Å; L1923-F1926 HydrophobicContact CG-CE2 4.33Å
1924	N	31.6	Very low	34.9	Very low	152.6 Å²	152.6	122.1 Å²	122.1	82%	0.816	67%	0.668	S	S	*	*			trans	-79.5	49.6	158.6	-93.6	-24	0	0	0	113.9	D1922	D1922-N1924 PolarHBondContact O-N 3.4Å; D1922-N1924 VanDerWaalsContact O-N 3.16Å
1925	K	31.5	Very low	35.9	Very low	175.2 Å²	175.2	120.7 Å²	120.7	76%	0.762	66%	0.656	S	S	*	*			trans	-149	27.2	175.5	-106.8	176.7	-177.9	177.7	0	116.7	D1922 L1923 S1927	D1922-K1925 PolarHBondContact O-N 3.17Å; D1922-K1925 VanDerWaalsContact O-N 3.07Å; L1923-K1925 VanDerWaalsContact C-N 3.29Å; L1923-K1925 HydrophobicContact CD2-CB 4.45Å; L1923-K1925 PolarHBondContact O-N 2.89Å; L1923-K1925 VanDerWaalsContact O-N 3.1Å; K1925-S1927 VanDerWaalsContact C-N 3.31Å; K1925-S1927 PolarHBondContact O-N 3.17Å
1926	F	28.4	Very low	37.1	Very low	177 Å²	177	124.8 Å²	124.8	78%	0.776	65%	0.652	S	S	*	*			trans	-96.1	77.3	173.5	-72.3	-74.5	0	0	0	114	L1920 L1923 N1928	L1920-F1926 HydrophobicContact CD2-CD2 3.95Å; L1920-F1926 HydrophobicContact CD2-CE2 3.49Å; L1920-F1926 VanDerWaalsContact CD2-CE2 3.49Å; L1920-F1926 HydrophobicContact CD2-CZ 3.99Å; L1923-F1926 HydrophobicContact CD1-CD2 4.26Å; L1923-F1926 HydrophobicContact CD1-CE2 3.9Å; L1923-F1926 HydrophobicContact CD2-CD2 4.05Å; L1923-F1926 HydrophobicContact CD2-CE2 3.64Å; L1923-F1926 HydrophobicContact CG-CE2 4.33Å; F1926-N1928 VanDerWaalsContact C-N 3.26Å; F1926-N1928 PolarHBondContact O-N 2.7Å
1927	S	31.1	Very low	38.1	Very low	89.4 Å²	89.4	119.1 Å²	119.1	63%	0.625	64%	0.636	S	S	*	*			trans	-95.9	96.6	148.2	86.1	0	0	0	0	113.3	K1925 C1929	K1925-S1927 VanDerWaalsContact C-N 3.31Å; K1925-S1927 PolarHBondContact O-N 3.17Å; S1927-C1929 PolarHBondContact O-N 3.15Å
1928	N	31.8	Very low	39.3	Very low	135.6 Å²	135.6	119.5 Å²	119.5	73%	0.725	63%	0.627	S	S	*	*			trans	-82.6	50.1	177.7	-61.8	-2.5	0	0	0	114.9	F1926 T1930	F1926-N1928 VanDerWaalsContact C-N 3.26Å; F1926-N1928 PolarHBondContact O-N 2.7Å; N1928-T1930 VanDerWaalsContact C-N 3.32Å; N1928-T1930 PolarHBondContact O-N 3.09Å; N1928-T1930 VanDerWaalsContact O-N 3.07Å
1929	C	31.1	Very low	40.7	Very low	87.4 Å²	87.4	118 Å²	118	59%	0.591	61%	0.61	S	S	*	*			trans	-88.5	68	166.4	8.4	0	0	0	0	111.5	S1927 S1931 M1932 Q1933	S1927-C1929 PolarHBondContact O-N 3.15Å; C1929-S1931 PolarHBondContact O-N 3.11Å; C1929-S1931 VanDerWaalsContact O-N 3.14Å; C1929-M1932 PolarHBondContact O-N 3.05Å; C1929-Q1933 PolarHBondContact O-N 2.8Å
1930	T	40.4	Very low	41.8	Very low	111.2 Å²	111.2	113.6 Å²	113.6	68%	0.682	60%	0.6	S	S	*	*			trans	-65.4	63	179	-16.9	0	0	0	0	111.4	N1928 M1932 Q1933 T1934	N1928-T1930 VanDerWaalsContact C-N 3.32Å; N1928-T1930 PolarHBondContact O-N 3.09Å; N1928-T1930 VanDerWaalsContact O-N 3.07Å; T1930-M1932 VanDerWaalsContact C-N 3.33Å; T1930-M1932 HydrophobicContact CG2-CB 4.37Å; T1930-M1932 PolarHBondContact O-N 2.76Å; T1930-Q1933 WeakPolarHBondContact O-CB 3.45Å; T1930-Q1933 PolarHBondContact O-N 3.21Å; T1930-Q1933 VanDerWaalsContact O-N 3.1Å; T1930-T1934 PolarHBondContact O-N 3.09Å; T1930-T1934 PolarHBondContact O-OG1 3.45Å
1931	S	48.7	Very low	42.7	Very low	60.6 Å²	60.6	110.5 Å²	110.5	42%	0.424	59%	0.59	S	S	.	*			trans	-87.6	101.8	177.7	105.6	0	0	0	0	112.3	C1929 Q1933 T1934 L1935	C1929-S1931 PolarHBondContact O-N 3.11Å; C1929-S1931 VanDerWaalsContact O-N 3.14Å; S1931-Q1933 VanDerWaalsContact C-N 3.32Å; S1931-Q1933 PolarHBondContact O-N 3.14Å; S1931-Q1933 VanDerWaalsContact O-N 3.12Å; S1931-Q1933 WeakPolarHBondContact OG-CB 3.46Å; S1931-Q1933 PolarHBondContact OG-N 2.94Å; S1931-Q1933 VanDerWaalsContact OG-N 3.11Å; S1931-T1934 WeakPolarHBondContact O-CA 3.26Å; S1931-T1934 WeakPolarHBondContact O-CB 3.34Å; S1931-T1934 PolarHBondContact O-N 2.97Å; S1931-T1934 PolarHBondContact OG-N 3.03Å; S1931-T1934 VanDerWaalsContact OG-N 3.1Å; S1931-T1934 PolarHBondContact OG-OG1 2.88Å; S1931-L1935 VanDerWaalsContact O-CB 3.24Å; S1931-L1935 WeakPolarHBondContact O-CB 3.47Å; S1931-L1935 PolarHBondContact O-N 3.22Å
1932	M	42.8	Very low	43.6	Very low	89.8 Å²	89.8	107.2 Å²	107.2	44%	0.442	58%	0.58	S	S	.	*	H	α-helix	trans	-61.4	-24.6	172.1	-107.4	-82.2	-75.6	0	0	113.1	C1929 T1930 L1935 R1936	C1929-M1932 PolarHBondContact O-N 3.05Å; T1930-M1932 VanDerWaalsContact C-N 3.33Å; T1930-M1932 HydrophobicContact CG2-CB 4.37Å; T1930-M1932 PolarHBondContact O-N 2.76Å; M1932-L1935 HydrophobicContact SD-CD2 4.09Å; M1932-R1936 HydrophobicContact CE-CG 3.88Å; M1932-R1936 VanDerWaalsContact O-CB 3.28Å; M1932-R1936 WeakPolarHBondContact O-CB 3.33Å; M1932-R1936 WeakPolarHBondContact O-CD 3.44Å; M1932-R1936 VanDerWaalsContact O-CG 3.23Å; M1932-R1936 WeakPolarHBondContact O-CG 3.32Å; M1932-R1936 PolarHBondContact O-N 3.15Å; M1932-R1936 HydrophobicContact SD-CG 4.47Å; M1932-R1936 PolarHBondContact SD-NE 3.43Å; M1932-R1936 PolarHBondContact SD-NH2 3.2Å
1933	Q	51.9	Low	44.2	Very low	132 Å²	132	106.3 Å²	106.3	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-72.6	-40.9	173.2	-65.5	176.8	-17.6	0	0	111.6	C1929 T1930 S1931 L1935 R1936 A1937	C1929-Q1933 PolarHBondContact O-N 2.8Å; T1930-Q1933 WeakPolarHBondContact O-CB 3.45Å; T1930-Q1933 PolarHBondContact O-N 3.21Å; T1930-Q1933 VanDerWaalsContact O-N 3.1Å; S1931-Q1933 VanDerWaalsContact C-N 3.32Å; S1931-Q1933 PolarHBondContact O-N 3.14Å; S1931-Q1933 VanDerWaalsContact O-N 3.12Å; S1931-Q1933 WeakPolarHBondContact OG-CB 3.46Å; S1931-Q1933 PolarHBondContact OG-N 2.94Å; S1931-Q1933 VanDerWaalsContact OG-N 3.11Å; Q1933-L1935 VanDerWaalsContact C-N 3.31Å; Q1933-L1935 PolarHBondContact O-N 2.75Å; Q1933-R1936 PolarHBondContact O-N 3.19Å; Q1933-A1937 VanDerWaalsContact O-CB 3.25Å; Q1933-A1937 WeakPolarHBondContact O-CB 3.36Å; Q1933-A1937 PolarHBondContact O-N 3.14Å
1934	T	55.9	Low	44.8	Very low	61.2 Å²	61.2	103.8 Å²	103.8	38%	0.375	57%	0.565	S	S	.	*	H	α-helix	trans	-65.1	-39.4	173.7	-51.6	0	0	0	0	111.2	T1930 S1931 A1937 R1938	T1930-T1934 PolarHBondContact O-N 3.09Å; T1930-T1934 PolarHBondContact O-OG1 3.45Å; S1931-T1934 WeakPolarHBondContact O-CA 3.26Å; S1931-T1934 WeakPolarHBondContact O-CB 3.34Å; S1931-T1934 PolarHBondContact O-N 2.97Å; S1931-T1934 PolarHBondContact OG-N 3.03Å; S1931-T1934 VanDerWaalsContact OG-N 3.1Å; S1931-T1934 PolarHBondContact OG-OG1 2.88Å; T1934-A1937 PolarHBondContact O-N 3.21Å; T1934-R1938 WeakPolarHBondContact O-CB 3.29Å; T1934-R1938 WeakPolarHBondContact O-CG 3.42Å; T1934-R1938 PolarHBondContact O-N 3.02Å
1935	L	52.4	Low	45	Very low	96.2 Å²	96.2	103.2 Å²	103.2	50%	0.504	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-47.5	174.3	-152.4	147.4	0	0	0	111.1	S1931 M1932 Q1933 A1937 R1938 L1939	S1931-L1935 VanDerWaalsContact O-CB 3.24Å; S1931-L1935 WeakPolarHBondContact O-CB 3.47Å; S1931-L1935 PolarHBondContact O-N 3.22Å; M1932-L1935 HydrophobicContact SD-CD2 4.09Å; Q1933-L1935 VanDerWaalsContact C-N 3.31Å; Q1933-L1935 PolarHBondContact O-N 2.75Å; L1935-A1937 VanDerWaalsContact C-N 3.31Å; L1935-A1937 PolarHBondContact O-N 3.07Å; L1935-R1938 PolarHBondContact O-N 3.06Å; L1935-L1939 HydrophobicContact CD2-CD1 3.9Å; L1935-L1939 HydrophobicContact CD2-CG 4.02Å; L1935-L1939 VanDerWaalsContact O-CB 3.23Å; L1935-L1939 WeakPolarHBondContact O-CB 3.38Å; L1935-L1939 WeakPolarHBondContact O-CD1 3.33Å; L1935-L1939 WeakPolarHBondContact O-CG 3.47Å; L1935-L1939 PolarHBondContact O-N 3.19Å
1936	R	55.5	Low	45.2	Very low	149.2 Å²	149.2	102.8 Å²	102.8	56%	0.563	56%	0.556	S	S	*	*	H	α-helix	trans	-59.9	-37	173.7	-77.4	171.8	-179.1	174.9	1.2	112.7	M1932 Q1933 L1939 A1940	M1932-R1936 HydrophobicContact CE-CG 3.88Å; M1932-R1936 VanDerWaalsContact O-CB 3.28Å; M1932-R1936 WeakPolarHBondContact O-CB 3.33Å; M1932-R1936 WeakPolarHBondContact O-CD 3.44Å; M1932-R1936 VanDerWaalsContact O-CG 3.23Å; M1932-R1936 WeakPolarHBondContact O-CG 3.32Å; M1932-R1936 PolarHBondContact O-N 3.15Å; M1932-R1936 HydrophobicContact SD-CG 4.47Å; M1932-R1936 PolarHBondContact SD-NE 3.43Å; M1932-R1936 PolarHBondContact SD-NH2 3.2Å; Q1933-R1936 PolarHBondContact O-N 3.19Å; R1936-L1939 PolarHBondContact O-N 2.73Å; R1936-A1940 VanDerWaalsContact O-CB 3.28Å; R1936-A1940 WeakPolarHBondContact O-CB 3.3Å; R1936-A1940 PolarHBondContact O-N 2.96Å
1937	A	54	Low	45.5	Very low	61.4 Å²	61.4	99.9 Å²	99.9	51%	0.507	55%	0.549	S	S	.	.	H	α-helix	trans	-68.6	-41.9	176.1	0	0	0	0	0	112.1	Q1933 T1934 L1935 L1939 A1940 A1941	Q1933-A1937 VanDerWaalsContact O-CB 3.25Å; Q1933-A1937 WeakPolarHBondContact O-CB 3.36Å; Q1933-A1937 PolarHBondContact O-N 3.14Å; T1934-A1937 PolarHBondContact O-N 3.21Å; L1935-A1937 VanDerWaalsContact C-N 3.31Å; L1935-A1937 PolarHBondContact O-N 3.07Å; A1937-L1939 VanDerWaalsContact C-N 3.33Å; A1937-L1939 PolarHBondContact O-N 3.39Å; A1937-A1940 PolarHBondContact O-N 3.14Å; A1937-A1941 WeakPolarHBondContact O-CB 3.28Å; A1937-A1941 PolarHBondContact O-N 3.01Å
1938	R	55.2	Low	45.7	Very low	169 Å²	169	102.4 Å²	102.4	64%	0.638	55%	0.554	S	S	*	*	H	α-helix	trans	-67.3	-38.6	174	-73.1	179.6	179.8	-168.7	-1.8	112.5	E1601 T1934 L1935 A1941 A1942	E1601-R1938 IonicContact OE1-CZ 3.85Å; E1601-R1938 IonicContact OE1-NH1 3.46Å; E1601-R1938 PolarHBondContact OE1-NH1 3.22Å; E1601-R1938 IonicContact OE1-NH2 3.6Å; E1601-R1938 PolarHBondContact OE1-NH2 3.26Å; E1601-R1938 IonicContact OE2-CZ 3.55Å; E1601-R1938 IonicContact OE2-NH2 2.71Å; E1601-R1938 PolarHBondContact OE2-NH2 2.89Å; T1934-R1938 WeakPolarHBondContact O-CB 3.29Å; T1934-R1938 WeakPolarHBondContact O-CG 3.42Å; T1934-R1938 PolarHBondContact O-N 3.02Å; L1935-R1938 PolarHBondContact O-N 3.06Å; R1938-A1941 PolarHBondContact O-N 3.23Å; R1938-A1942 VanDerWaalsContact O-CB 3.3Å; R1938-A1942 WeakPolarHBondContact O-CB 3.32Å; R1938-A1942 PolarHBondContact O-N 3.23Å
1939	L	57.3	Low	45.8	Very low	71.8 Å²	71.8	103.3 Å²	103.3	38%	0.376	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-43	173.9	-127.6	89.3	0	0	0	111.2	L1935 R1936 A1937 A1941 A1942 H1943 L1998	L1935-L1939 HydrophobicContact CD2-CD1 3.9Å; L1935-L1939 HydrophobicContact CD2-CG 4.02Å; L1935-L1939 VanDerWaalsContact O-CB 3.23Å; L1935-L1939 WeakPolarHBondContact O-CB 3.38Å; L1935-L1939 WeakPolarHBondContact O-CD1 3.33Å; L1935-L1939 WeakPolarHBondContact O-CG 3.47Å; L1935-L1939 PolarHBondContact O-N 3.19Å; R1936-L1939 PolarHBondContact O-N 2.73Å; A1937-L1939 VanDerWaalsContact C-N 3.33Å; A1937-L1939 PolarHBondContact O-N 3.39Å; L1939-A1941 VanDerWaalsContact C-N 3.3Å; L1939-A1941 PolarHBondContact O-N 3.13Å; L1939-A1942 PolarHBondContact O-N 3.24Å; L1939-H1943 VanDerWaalsContact O-CB 3.3Å; L1939-H1943 WeakPolarHBondContact O-CB 3.34Å; L1939-H1943 PolarHBondContact O-CD2 2.98Å; L1939-H1943 VanDerWaalsContact O-CG 3.31Å; L1939-H1943 PolarHBondContact O-N 3.27Å; L1939-H1943 VanDerWaalsContact O-N 3.1Å; L1939-L1998 HydrophobicContact CD2-CD2 3.84Å; L1939-L1998 VanDerWaalsContact CD2-CD2 3.45Å; L1939-L1998 HydrophobicContact CD2-CG 4.48Å; L1939-L1998 HydrophobicContact CG-CD2 4.06Å
1940	A	54.6	Low	45.8	Very low	57.8 Å²	57.8	106.8 Å²	106.8	48%	0.478	57%	0.567	S	S	.	*	H	α-helix	trans	-64.2	-36.9	175.1	0	0	0	0	0	112.4	R1936 A1937 H1943 S1944	R1936-A1940 VanDerWaalsContact O-CB 3.28Å; R1936-A1940 WeakPolarHBondContact O-CB 3.3Å; R1936-A1940 PolarHBondContact O-N 2.96Å; A1937-A1940 PolarHBondContact O-N 3.14Å; A1940-H1943 WeakPolarHBondContact O-CB 3.42Å; A1940-H1943 PolarHBondContact O-N 3Å; A1940-S1944 VanDerWaalsContact O-CB 3.24Å; A1940-S1944 WeakPolarHBondContact O-CB 3.28Å; A1940-S1944 PolarHBondContact O-N 3.12Å; A1940-S1944 VanDerWaalsContact O-N 3.1Å
1941	A	50.2	Low	45.4	Very low	45.8 Å²	45.8	109.1 Å²	109.1	38%	0.379	57%	0.569	S	S	.	*	H	α-helix	trans	-64.7	-50.2	172.2	0	0	0	0	0	111.5	A1937 R1938 L1939 H1943 S1944 E1945	A1937-A1941 WeakPolarHBondContact O-CB 3.28Å; A1937-A1941 PolarHBondContact O-N 3.01Å; R1938-A1941 PolarHBondContact O-N 3.23Å; L1939-A1941 VanDerWaalsContact C-N 3.3Å; L1939-A1941 PolarHBondContact O-N 3.13Å; A1941-H1943 VanDerWaalsContact C-N 3.31Å; A1941-H1943 PolarHBondContact O-N 3.19Å; A1941-S1944 CarbonylContact O-C 3.51Å; A1941-S1944 WeakPolarHBondContact O-CA 3.33Å; A1941-S1944 VanDerWaalsContact O-CB 3.27Å; A1941-S1944 WeakPolarHBondContact O-CB 3.23Å; A1941-S1944 PolarHBondContact O-N 3.05Å; A1941-S1944 PolarHBondContact O-OG 2.92Å; A1941-E1945 WeakPolarHBondContact O-CB 3.48Å; A1941-E1945 WeakPolarHBondContact O-CG 3.38Å; A1941-E1945 PolarHBondContact O-N 3.04Å; A1941-E1945 VanDerWaalsContact O-N 3.11Å
1942	A	48.3	Very low	44.5	Very low	54.2 Å²	54.2	114.7 Å²	114.7	45%	0.448	59%	0.589	S	S	.	*	H	α-helix	trans	-60.2	-36	177.6	0	0	0	0	0	113	R1938 L1939 S1944 E1945 F1946	R1938-A1942 VanDerWaalsContact O-CB 3.3Å; R1938-A1942 WeakPolarHBondContact O-CB 3.32Å; R1938-A1942 PolarHBondContact O-N 3.23Å; L1939-A1942 PolarHBondContact O-N 3.24Å; A1942-S1944 VanDerWaalsContact C-N 3.29Å; A1942-S1944 PolarHBondContact O-N 3.02Å; A1942-E1945 PolarHBondContact O-N 3.15Å; A1942-F1946 WeakPolarHBondContact O-CB 3.39Å; A1942-F1946 PolarHBondContact O-N 3.28Å
1943	H	43.8	Very low	43.9	Very low	117.6 Å²	117.6	117.6 Å²	117.6	54%	0.544	61%	0.606	S	S	.	*	H	α-helix	trans	-75	-20.9	172.4	-74.5	-61	0	0	0	113.6	L1939 A1940 A1941 E1945 F1946 L1998	L1939-H1943 VanDerWaalsContact O-CB 3.3Å; L1939-H1943 WeakPolarHBondContact O-CB 3.34Å; L1939-H1943 PolarHBondContact O-CD2 2.98Å; L1939-H1943 VanDerWaalsContact O-CG 3.31Å; L1939-H1943 PolarHBondContact O-N 3.27Å; L1939-H1943 VanDerWaalsContact O-N 3.1Å; A1940-H1943 WeakPolarHBondContact O-CB 3.42Å; A1940-H1943 PolarHBondContact O-N 3Å; A1941-H1943 VanDerWaalsContact C-N 3.31Å; A1941-H1943 PolarHBondContact O-N 3.19Å; H1943-E1945 VanDerWaalsContact C-N 3.33Å; H1943-F1946 PolarHBondContact O-N 3.22Å; H1943-L1998 VanDerWaalsContact NE2-CD1 3.33Å; H1943-L1998 WeakPolarHBondContact NE2-CD1 3.45Å
1944	S	43.4	Very low	42.9	Very low	85 Å²	85	118.2 Å²	118.2	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-82.8	-25.4	174.7	173.8	0	0	0	0	113.1	A1940 A1941 A1942 F1946	A1940-S1944 VanDerWaalsContact O-CB 3.24Å; A1940-S1944 WeakPolarHBondContact O-CB 3.28Å; A1940-S1944 PolarHBondContact O-N 3.12Å; A1940-S1944 VanDerWaalsContact O-N 3.1Å; A1941-S1944 CarbonylContact O-C 3.51Å; A1941-S1944 WeakPolarHBondContact O-CA 3.33Å; A1941-S1944 VanDerWaalsContact O-CB 3.27Å; A1941-S1944 WeakPolarHBondContact O-CB 3.23Å; A1941-S1944 PolarHBondContact O-N 3.05Å; A1941-S1944 PolarHBondContact O-OG 2.92Å; A1942-S1944 VanDerWaalsContact C-N 3.29Å; A1942-S1944 PolarHBondContact O-N 3.02Å; S1944-F1946 VanDerWaalsContact C-N 3.34Å
1945	E	37	Very low	41.6	Very low	140.6 Å²	140.6	120.3 Å²	120.3	66%	0.657	63%	0.63	S	S	*	*	H	α-helix	trans	-82.9	-16.8	177.1	-70.7	175.6	-177.2	0	0	112.3	S1913 A1941 A1942 H1943 N1947 L1948	S1913-E1945 PolarHBondContact OG-OE1 3.05Å; A1941-E1945 WeakPolarHBondContact O-CB 3.48Å; A1941-E1945 WeakPolarHBondContact O-CG 3.38Å; A1941-E1945 PolarHBondContact O-N 3.04Å; A1941-E1945 VanDerWaalsContact O-N 3.11Å; A1942-E1945 PolarHBondContact O-N 3.15Å; H1943-E1945 VanDerWaalsContact C-N 3.33Å; E1945-N1947 PolarHBondContact O-N 3.17Å; E1945-L1948 WeakPolarHBondContact O-CG 3.24Å
1946	F	36.2	Very low	40.4	Very low	165.2 Å²	165.2	123.4 Å²	123.4	73%	0.725	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	17.7	-178.5	-134.2	-91.2	0	0	0	115.2	A1942 H1943 S1944	A1942-F1946 WeakPolarHBondContact O-CB 3.39Å; A1942-F1946 PolarHBondContact O-N 3.28Å; H1943-F1946 PolarHBondContact O-N 3.22Å; S1944-F1946 VanDerWaalsContact C-N 3.34Å
1947	N	34.7	Very low	39.1	Very low	117.6 Å²	117.6	120.9 Å²	120.9	63%	0.629	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	24.1	-177.8	-144.3	1.2	0	0	0	113.6	E1945 D1949 Q1950	E1945-N1947 PolarHBondContact O-N 3.17Å; N1947-D1949 VanDerWaalsContact C-N 3.27Å; N1947-D1949 PolarHBondContact O-N 3.07Å; N1947-Q1950 PolarHBondContact OD1-NE2 2.99Å
1948	L	34.3	Very low	38	Very low	142 Å²	142	127.4 Å²	127.4	74%	0.743	67%	0.669	S	S	*	*			trans	-99.3	18.6	178.4	-74.7	172.4	0	0	0	113.6	E1945 Q1950	E1945-L1948 WeakPolarHBondContact O-CG 3.24Å; L1948-Q1950 VanDerWaalsContact C-N 3.32Å; L1948-Q1950 PolarHBondContact O-N 2.85Å
1949	D	33.7	Very low	36.7	Very low	153.4 Å²	153.4	127.7 Å²	127.7	82%	0.82	68%	0.677	S	S	*	*			trans	-103.6	33	174.2	-90.2	-28.1	0	0	0	112.7	N1947 H1951	N1947-D1949 VanDerWaalsContact C-N 3.27Å; N1947-D1949 PolarHBondContact O-N 3.07Å; D1949-H1951 VanDerWaalsContact C-N 3.26Å; D1949-H1951 PolarHBondContact O-N 3.02Å
1950	Q	31.5	Very low	35.3	Very low	161 Å²	161	129.2 Å²	129.2	75%	0.752	69%	0.694	S	S	*	*			trans	-101	62.1	173.2	-65.4	-164.7	36	0	0	114.4	N1947 L1948 E1952	N1947-Q1950 PolarHBondContact OD1-NE2 2.99Å; L1948-Q1950 VanDerWaalsContact C-N 3.32Å; L1948-Q1950 PolarHBondContact O-N 2.85Å; Q1950-E1952 PolarHBondContact O-N 3.4Å
1951	H	31	Very low	34	Very low	160.6 Å²	160.6	137.4 Å²	137.4	74%	0.744	71%	0.713	S	S	*	*			trans	-130.3	28.3	164.2	-122.6	-75.6	0	0	0	116.5	D1949 N1953	D1949-H1951 VanDerWaalsContact C-N 3.26Å; D1949-H1951 PolarHBondContact O-N 3.02Å; H1951-N1953 VanDerWaalsContact C-N 3.25Å; H1951-N1953 PolarHBondContact O-N 3.24Å
1952	E	31.8	Very low	33.1	Very low	177.4 Å²	177.4	144.3 Å²	144.3	83%	0.829	73%	0.734	S	S	*	*	S	Bend	trans	-103.8	74	167.4	-96.3	-178.6	-165.5	0	0	114.2	Q1950 I1954	Q1950-E1952 PolarHBondContact O-N 3.4Å; E1952-I1954 VanDerWaalsContact C-N 3.26Å; E1952-I1954 HydrophobicContact CB-CD1 4.42Å; E1952-I1954 HydrophobicContact CB-CG1 4.27Å; E1952-I1954 HydrophobicContact CG-CD1 4.04Å; E1952-I1954 HydrophobicContact CG-CG1 4.28Å; E1952-I1954 PolarHBondContact O-N 3.02Å
1953	N	28.8	Very low	32.2	Very low	150.4 Å²	150.4	150.7 Å²	150.7	80%	0.804	75%	0.752	S	S	*	*			trans	-149.7	52.9	166.9	-103.5	-50.5	0	0	0	114.2	H1951 S1955	H1951-N1953 VanDerWaalsContact C-N 3.25Å; H1951-N1953 PolarHBondContact O-N 3.24Å; N1953-S1955 VanDerWaalsContact C-N 3.34Å; N1953-S1955 PolarHBondContact O-N 2.83Å; N1953-S1955 PolarHBondContact OD1-OG 3.02Å
1954	I	31.6	Very low	31.4	Very low	144.2 Å²	144.2	152 Å²	152	74%	0.739	76%	0.763	S	S	*	*			trans	-121.1	88.2	160.2	-61.5	176.9	0	0	0	109.4	E1952	E1952-I1954 VanDerWaalsContact C-N 3.26Å; E1952-I1954 HydrophobicContact CB-CD1 4.42Å; E1952-I1954 HydrophobicContact CB-CG1 4.27Å; E1952-I1954 HydrophobicContact CG-CD1 4.04Å; E1952-I1954 HydrophobicContact CG-CG1 4.28Å; E1952-I1954 PolarHBondContact O-N 3.02Å
1955	S	28.1	Very low	30.7	Very low	106.8 Å²	106.8	155.1 Å²	155.1	75%	0.747	77%	0.773	S	S	*	*			trans	-130.8	99.6	165.4	-71.5	0	0	0	0	109.9	N1953 S1957	N1953-S1955 VanDerWaalsContact C-N 3.34Å; N1953-S1955 PolarHBondContact O-N 2.83Å; N1953-S1955 PolarHBondContact OD1-OG 3.02Å; S1955-S1957 PolarHBondContact O-N 3.02Å; S1955-S1957 VanDerWaalsContact O-N 3.13Å
1956	D	27.2	Very low	30.3	Very low	160.2 Å²	160.2	155.6 Å²	155.6	86%	0.857	78%	0.781	S	S	*	*	S	Bend	trans	-135	109.3	147.6	-90.8	-32	0	0	0	114.5
1957	S	29.2	Very low	30	Very low	97.2 Å²	97.2	155.3 Å²	155.3	68%	0.68	79%	0.786	S	S	*	*			trans	-176.4	112.2	148.1	65.2	0	0	0	0	113.8	R1906 S1955 E1959	R1906-S1957 PolarHBondContact NH1-OG 3.27Å; S1955-S1957 PolarHBondContact O-N 3.02Å; S1955-S1957 VanDerWaalsContact O-N 3.13Å; S1957-E1959 PolarHBondContact O-N 3.11Å
1958	F	29.3	Very low	29.9	Very low	197.6 Å²	197.6	158.8 Å²	158.8	87%	0.867	80%	0.796	S	S	*	*			trans	-72.6	93.5	165.3	-94.3	-81.3	0	0	0	114.1	S1960	F1958-S1960 PolarHBondContact O-N 3.22Å
1959	E	29.1	Very low	29.4	Very low	174.4 Å²	174.4	162.1 Å²	162.1	82%	0.815	81%	0.805	S	S	*	*			trans	-62.3	140.4	154.8	-72.7	-171.1	109	0	0	113.7	K1765 S1957	K1765-E1959 IonicContact NZ-OE2 2.71Å; K1765-E1959 PolarHBondContact NZ-OE2 2.83Å; S1957-E1959 PolarHBondContact O-N 3.11Å
1960	S	27.4	Very low	29.1	Very low	103.6 Å²	103.6	158.3 Å²	158.3	72%	0.724	80%	0.801	S	S	*	*			trans	115.6	78.4	151	-42.6	0	0	0	0	118.7	F1958	F1958-S1960 PolarHBondContact O-N 3.22Å
1961	R	28.4	Very low	29	Very low	229.8 Å²	229.8	155 Å²	155	87%	0.867	80%	0.796	S	S	*	*				-169.5	111.8	128.4	-115.6	163	-73.4	-147.5	-0.6	114.8
1962	K	29.5	Very low	29	Very low	191.2 Å²	191.2	155 Å²	155	83%	0.831	80%	0.801	S	S	*	*			trans	-70.4	137	159.2	-60.5	171.7	-179.9	175.3	0	109.5
1963	F	29.3	Very low	29	Very low	188 Å²	188	152.5 Å²	152.5	83%	0.825	79%	0.794	S	S	*	*			trans	-166.1	130.9	146.5	-86.6	-69.2	0	0	0	111.9
1964	N	28.9	Very low	29.1	Very low	146 Å²	146	154.4 Å²	154.4	78%	0.781	79%	0.791	S	S	*	*			trans	-44.3	126.4	157.2	-71.8	-13.9	0	0	0	114.8	N1966	N1964-N1966 PolarHBondContact O-N 3.2Å
1965	N	28	Very low	29	Very low	149.8 Å²	149.8	155.7 Å²	155.7	80%	0.801	79%	0.793	S	S	*	*			trans	-73.3	139	147.6	-65.6	-14.4	0	0	0	111.5	N1967	N1965-N1967 PolarHBondContact O-N 2.84Å
1966	N	28.4	Very low	29.5	Very low	151.8 Å²	151.8	155.2 Å²	155.2	81%	0.812	79%	0.786	S	S	*	*			trans	178.9	106.5	147.2	-80	-18.5	0	0	0	112.6	N1964	N1964-N1966 PolarHBondContact O-N 3.2Å
1967	N	30.1	Very low	29.9	Very low	157.8 Å²	157.8	153.1 Å²	153.1	84%	0.844	78%	0.775	S	S	*	*			trans	159	109.2	162.9	-78.1	-16	0	0	0	114	N1965 F1969	N1965-N1967 PolarHBondContact O-N 2.84Å; N1967-F1969 PolarHBondContact O-N 3.43Å; N1967-F1969 VanDerWaalsContact O-N 3.11Å
1968	K	31.3	Very low	30.4	Very low	192 Å²	192	151.6 Å²	151.6	84%	0.835	76%	0.764	S	S	*	*			trans	-129.7	106.9	151.5	-116.5	-178.2	177.5	-178.6	0	113
1969	F	25.9	Very low	30.9	Very low	211 Å²	211	147.8 Å²	147.8	93%	0.925	75%	0.753	S	S	*	*			trans	-31.2	132.6	155.6	-63.2	-82.8	0	0	0	114.1	N1967	N1967-F1969 PolarHBondContact O-N 3.43Å; N1967-F1969 VanDerWaalsContact O-N 3.11Å
1970	G	26.9	Very low	31.9	Very low	72.8 Å²	72.8	143.2 Å²	143.2	75%	0.751	73%	0.734	S	S	*	*			trans	148.7	87.8	155.1	0	0	0	0	0	115.1
1971	S	28.9	Very low	32.9	Very low	92.2 Å²	92.2	144.7 Å²	144.7	65%	0.645	73%	0.728	S	S	*	*			trans	83.3	132.7	164.9	149.2	0	0	0	0	115.3	D1973	S1971-D1973 WeakPolarHBondContact CB-OD2 3.32Å; S1971-D1973 PolarHBondContact O-N 3.48Å; S1971-D1973 PolarHBondContact OG-OD2 2.82Å
1972	L	30.2	Very low	34.3	Very low	160.8 Å²	160.8	137.4 Å²	137.4	84%	0.842	71%	0.709	S	S	*	*	S	Bend	trans	-111.5	34.5	163.9	-117.4	112.2	0	0	0	112.2	Y1974	L1972-Y1974 PolarHBondContact O-N 3.1Å
1973	D	32.6	Very low	35.7	Very low	125.8 Å²	125.8	131.5 Å²	131.5	67%	0.673	69%	0.689	S	S	*	*			trans	-97.6	18.4	175.1	-63.6	-56.5	0	0	0	112.3	S1971 Q1975	S1971-D1973 WeakPolarHBondContact CB-OD2 3.32Å; S1971-D1973 PolarHBondContact O-N 3.48Å; S1971-D1973 PolarHBondContact OG-OD2 2.82Å; D1973-Q1975 PolarHBondContact O-N 2.79Å
1974	Y	29.8	Very low	37.1	Very low	189.6 Å²	189.6	129 Å²	129	74%	0.744	67%	0.674	S	S	*	*			trans	-116.6	48.5	-172.2	-68.5	-73.6	0	0	0	114.9	L1972	L1972-Y1974 PolarHBondContact O-N 3.1Å
1975	Q	30.9	Very low	38.9	Very low	171.2 Å²	171.2	126.1 Å²	126.1	80%	0.8	66%	0.656	S	S	*	*	S	Bend	trans	-142.3	25.9	165.4	-87.2	-172.4	2.7	0	0	114.8	D1973	D1973-Q1975 PolarHBondContact O-N 2.79Å
1976	T	37.6	Very low	40.9	Very low	97.4 Å²	97.4	123.9 Å²	123.9	60%	0.598	64%	0.644	S	S	*	*			trans	-115.7	11.2	170.7	43.7	0	0	0	0	113.9	S1978 N1979 D1980 R1987	T1976-S1978 VanDerWaalsContact C-N 3.29Å; T1976-S1978 PolarHBondContact O-N 3.24Å; T1976-S1978 VanDerWaalsContact O-N 3.16Å; T1976-N1979 WeakPolarHBondContact O-CA 3.41Å; T1976-N1979 WeakPolarHBondContact O-CB 3.26Å; T1976-N1979 PolarHBondContact O-N 3.08Å; T1976-D1980 PolarHBondContact O-N 2.93Å; T1976-R1987 PolarHBondContact OG1-NH1 3.47Å
1977	D	35.7	Very low	42.8	Very low	114.8 Å²	114.8	124.3 Å²	124.3	61%	0.614	63%	0.633	S	S	*	*	H	α-helix	trans	-75.3	10	-172.5	-77.2	-15.3	0	0	0	113.8	N1979 F1981 R1984	D1977-N1979 PolarHBondContact O-ND2 2.87Å; D1977-F1981 PolarHBondContact O-N 3.29Å; D1977-R1984 IonicContact OD1-CZ 3.32Å; D1977-R1984 IonicContact OD1-NE 2.85Å; D1977-R1984 IonicContact OD1-NH2 3.28Å; D1977-R1984 PolarHBondContact OD1-NH2 3.13Å; D1977-R1984 IonicContact OD2-NH2 2.97Å; D1977-R1984 PolarHBondContact OD2-NH2 2.84Å
1978	S	40.2	Very low	44.8	Very low	66 Å²	66	122.4 Å²	122.4	46%	0.462	62%	0.62	S	S	.	*	H	α-helix	trans	-69.7	-32.4	168.8	59.3	0	0	0	0	110.9	T1976 D1980 F1981 T1982	T1976-S1978 VanDerWaalsContact C-N 3.29Å; T1976-S1978 PolarHBondContact O-N 3.24Å; T1976-S1978 VanDerWaalsContact O-N 3.16Å; S1978-D1980 WeakPolarHBondContact CB-OD2 3.4Å; S1978-D1980 PolarHBondContact O-N 2.84Å; S1978-D1980 PolarHBondContact OG-OD2 3.43Å; S1978-F1981 PolarHBondContact O-N 2.9Å; S1978-T1982 PolarHBondContact O-N 2.9Å; S1978-T1982 VanDerWaalsContact O-N 3.16Å
1979	N	40	Very low	46.6	Very low	117 Å²	117	117.8 Å²	117.8	63%	0.626	60%	0.601	S	S	*	*	H	α-helix	trans	-81.1	-8.5	-171.3	-67.7	-29.7	0	0	0	111.9	T1976 D1977 F1981 T1982 T1983	T1976-N1979 WeakPolarHBondContact O-CA 3.41Å; T1976-N1979 WeakPolarHBondContact O-CB 3.26Å; T1976-N1979 PolarHBondContact O-N 3.08Å; D1977-N1979 PolarHBondContact O-ND2 2.87Å; N1979-F1981 VanDerWaalsContact C-N 3.32Å; N1979-F1981 PolarHBondContact O-N 3.33Å; N1979-T1982 PolarHBondContact O-N 3.25Å; N1979-T1982 VanDerWaalsContact O-N 3.08Å; N1979-T1982 PolarHBondContact O-OG1 3.16Å; N1979-T1982 VanDerWaalsContact O-OG1 3.12Å; N1979-T1983 WeakPolarHBondContact O-CB 3.27Å; N1979-T1983 VanDerWaalsContact O-CG2 3.27Å; N1979-T1983 WeakPolarHBondContact O-CG2 3.31Å; N1979-T1983 PolarHBondContact O-N 3.09Å; N1979-T1983 PolarHBondContact O-OG1 3.16Å
1980	D	49.5	Very low	48.9	Very low	77.8 Å²	77.8	112.3 Å²	112.3	42%	0.416	59%	0.585	S	S	.	*	H	α-helix	trans	-72.2	9.3	-179.6	-108.5	23.7	0	0	0	111.3	T1976 S1978 T1982 T1983 R1984	T1976-D1980 PolarHBondContact O-N 2.93Å; S1978-D1980 WeakPolarHBondContact CB-OD2 3.4Å; S1978-D1980 PolarHBondContact O-N 2.84Å; S1978-D1980 PolarHBondContact OG-OD2 3.43Å; D1980-T1982 PolarHBondContact O-N 3.28Å; D1980-T1982 VanDerWaalsContact O-N 3.1Å; D1980-T1983 WeakPolarHBondContact CA-OG1 3.24Å; D1980-T1983 HydrophobicContact CB-CG2 3.78Å; D1980-T1983 PolarHBondContact O-N 3.02Å; D1980-T1983 PolarHBondContact O-OG1 2.99Å; D1980-T1983 VanDerWaalsContact O-OG1 3.04Å; D1980-R1984 VanDerWaalsContact O-CB 3.3Å; D1980-R1984 WeakPolarHBondContact O-CB 3.25Å; D1980-R1984 VanDerWaalsContact O-CD 3.26Å; D1980-R1984 WeakPolarHBondContact O-CD 3.31Å; D1980-R1984 WeakPolarHBondContact O-CG 3.45Å; D1980-R1984 PolarHBondContact O-N 3.09Å; D1980-R1984 VanDerWaalsContact O-N 3.12Å; D1980-R1984 IonicContact OD1-NE 3.36Å; D1980-R1984 IonicContact OD2-CZ 3.5Å; D1980-R1984 IonicContact OD2-NE 3.29Å; D1980-R1984 PolarHBondContact OD2-NE 3.11Å; D1980-R1984 IonicContact OD2-NH2 2.88Å; D1980-R1984 PolarHBondContact OD2-NH2 2.97Å
1981	F	49.1	Very low	51.1	Low	136.8 Å²	136.8	112.9 Å²	112.9	60%	0.6	57%	0.568	S	S	*	*	H	α-helix	trans	-60.4	-42.3	174.1	-176.4	-96.2	0	0	0	112.1	D1977 S1978 N1979 R1984 Q1985	D1977-F1981 PolarHBondContact O-N 3.29Å; S1978-F1981 PolarHBondContact O-N 2.9Å; N1979-F1981 VanDerWaalsContact C-N 3.32Å; N1979-F1981 PolarHBondContact O-N 3.33Å; F1981-R1984 PolarHBondContact O-N 3.13Å; F1981-Q1985 HydrophobicContact CD1-CG 4.35Å; F1981-Q1985 HydrophobicContact CE1-CG 3.97Å; F1981-Q1985 VanDerWaalsContact CE1-NE2 3.29Å; F1981-Q1985 VanDerWaalsContact CE1-OE1 3.25Å; F1981-Q1985 HydrophobicContact CZ-CG 4.14Å; F1981-Q1985 VanDerWaalsContact CZ-NE2 3.31Å; F1981-Q1985 VanDerWaalsContact O-CB 3.27Å; F1981-Q1985 WeakPolarHBondContact O-CB 3.36Å; F1981-Q1985 WeakPolarHBondContact O-CG 3.33Å; F1981-Q1985 PolarHBondContact O-N 3.11Å
1982	T	57.2	Low	53.3	Low	75 Å²	75	112.8 Å²	112.8	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-42.8	178	53.2	0	0	0	0	112.7	S1978 N1979 D1980 R1984 Q1985 L1986	S1978-T1982 PolarHBondContact O-N 2.9Å; S1978-T1982 VanDerWaalsContact O-N 3.16Å; N1979-T1982 PolarHBondContact O-N 3.25Å; N1979-T1982 VanDerWaalsContact O-N 3.08Å; N1979-T1982 PolarHBondContact O-OG1 3.16Å; N1979-T1982 VanDerWaalsContact O-OG1 3.12Å; D1980-T1982 PolarHBondContact O-N 3.28Å; D1980-T1982 VanDerWaalsContact O-N 3.1Å; T1982-R1984 PolarHBondContact O-N 3.49Å; T1982-Q1985 PolarHBondContact O-N 2.97Å; T1982-L1986 VanDerWaalsContact O-CB 3.32Å; T1982-L1986 WeakPolarHBondContact O-CB 3.34Å; T1982-L1986 VanDerWaalsContact O-CG 3.3Å; T1982-L1986 WeakPolarHBondContact O-CG 3.37Å; T1982-L1986 PolarHBondContact O-N 3.15Å
1983	T	59.1	Low	55.2	Low	67.8 Å²	67.8	109.9 Å²	109.9	42%	0.416	54%	0.539	S	S	.	.	H	α-helix	trans	-68.8	-35.1	176.8	61.1	0	0	0	0	112.1	N1979 D1980 L1986 R1987	N1979-T1983 WeakPolarHBondContact O-CB 3.27Å; N1979-T1983 VanDerWaalsContact O-CG2 3.27Å; N1979-T1983 WeakPolarHBondContact O-CG2 3.31Å; N1979-T1983 PolarHBondContact O-N 3.09Å; N1979-T1983 PolarHBondContact O-OG1 3.16Å; D1980-T1983 WeakPolarHBondContact CA-OG1 3.24Å; D1980-T1983 HydrophobicContact CB-CG2 3.78Å; D1980-T1983 PolarHBondContact O-N 3.02Å; D1980-T1983 PolarHBondContact O-OG1 2.99Å; D1980-T1983 VanDerWaalsContact O-OG1 3.04Å; T1983-L1986 PolarHBondContact O-N 3.47Å; T1983-R1987 VanDerWaalsContact O-CB 3.27Å; T1983-R1987 WeakPolarHBondContact O-CB 3.37Å; T1983-R1987 VanDerWaalsContact O-CG 3.31Å; T1983-R1987 WeakPolarHBondContact O-CG 3.31Å; T1983-R1987 PolarHBondContact O-N 3.16Å
1984	R	58.2	Low	57.3	Low	136.4 Å²	136.4	108 Å²	108	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-66	-42	171.6	-73.8	174.5	-177.1	-148.1	3	111.9	D1977 D1980 F1981 T1982 R1987 Q1988	D1977-R1984 IonicContact OD1-CZ 3.32Å; D1977-R1984 IonicContact OD1-NE 2.85Å; D1977-R1984 IonicContact OD1-NH2 3.28Å; D1977-R1984 PolarHBondContact OD1-NH2 3.13Å; D1977-R1984 IonicContact OD2-NH2 2.97Å; D1977-R1984 PolarHBondContact OD2-NH2 2.84Å; D1980-R1984 VanDerWaalsContact O-CB 3.3Å; D1980-R1984 WeakPolarHBondContact O-CB 3.25Å; D1980-R1984 VanDerWaalsContact O-CD 3.26Å; D1980-R1984 WeakPolarHBondContact O-CD 3.31Å; D1980-R1984 WeakPolarHBondContact O-CG 3.45Å; D1980-R1984 PolarHBondContact O-N 3.09Å; D1980-R1984 VanDerWaalsContact O-N 3.12Å; D1980-R1984 IonicContact OD1-NE 3.36Å; D1980-R1984 IonicContact OD2-CZ 3.5Å; D1980-R1984 IonicContact OD2-NE 3.29Å; D1980-R1984 PolarHBondContact OD2-NE 3.11Å; D1980-R1984 IonicContact OD2-NH2 2.88Å; D1980-R1984 PolarHBondContact OD2-NH2 2.97Å; F1981-R1984 PolarHBondContact O-N 3.13Å; T1982-R1984 PolarHBondContact O-N 3.49Å; R1984-R1987 PolarHBondContact O-N 2.98Å; R1984-Q1988 WeakPolarHBondContact O-CB 3.43Å; R1984-Q1988 WeakPolarHBondContact O-CG 3.27Å; R1984-Q1988 PolarHBondContact O-N 3.08Å
1985	Q	67.1	Low	59.4	Low	85 Å²	85	106.2 Å²	106.2	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-45.8	175	-113.1	-173.3	-20.9	0	0	112	F1981 T1982 R1987 Q1988 Q1989	F1981-Q1985 HydrophobicContact CD1-CG 4.35Å; F1981-Q1985 HydrophobicContact CE1-CG 3.97Å; F1981-Q1985 VanDerWaalsContact CE1-NE2 3.29Å; F1981-Q1985 VanDerWaalsContact CE1-OE1 3.25Å; F1981-Q1985 HydrophobicContact CZ-CG 4.14Å; F1981-Q1985 VanDerWaalsContact CZ-NE2 3.31Å; F1981-Q1985 VanDerWaalsContact O-CB 3.27Å; F1981-Q1985 WeakPolarHBondContact O-CB 3.36Å; F1981-Q1985 WeakPolarHBondContact O-CG 3.33Å; F1981-Q1985 PolarHBondContact O-N 3.11Å; T1982-Q1985 PolarHBondContact O-N 2.97Å; Q1985-R1987 VanDerWaalsContact C-N 3.33Å; Q1985-R1987 PolarHBondContact O-N 3.05Å; Q1985-Q1988 PolarHBondContact O-N 3.12Å; Q1985-Q1988 VanDerWaalsContact O-N 3.17Å; Q1985-Q1989 WeakPolarHBondContact O-CB 3.44Å; Q1985-Q1989 WeakPolarHBondContact O-CG 3.35Å; Q1985-Q1989 PolarHBondContact O-N 3.06Å
1986	L	70	Confident	61.1	Low	103.8 Å²	103.8	105 Å²	105	54%	0.543	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-44.8	174.9	-84.2	151.3	0	0	0	111.7	T1982 T1983 Q1988 Q1989 V1990	T1982-L1986 VanDerWaalsContact O-CB 3.32Å; T1982-L1986 WeakPolarHBondContact O-CB 3.34Å; T1982-L1986 VanDerWaalsContact O-CG 3.3Å; T1982-L1986 WeakPolarHBondContact O-CG 3.37Å; T1982-L1986 PolarHBondContact O-N 3.15Å; T1983-L1986 PolarHBondContact O-N 3.47Å; L1986-Q1988 VanDerWaalsContact C-N 3.33Å; L1986-Q1988 PolarHBondContact O-N 3.06Å; L1986-Q1989 PolarHBondContact O-N 3.16Å; L1986-Q1989 VanDerWaalsContact O-N 3.15Å; L1986-V1990 WeakPolarHBondContact O-CB 3.34Å; L1986-V1990 VanDerWaalsContact O-CG2 3.31Å; L1986-V1990 WeakPolarHBondContact O-CG2 3.39Å; L1986-V1990 PolarHBondContact O-N 3.11Å
1987	R	68.2	Low	62.9	Low	158.8 Å²	158.8	103.8 Å²	103.8	60%	0.599	50%	0.495	S	S	*	.	H	α-helix	trans	-59.7	-43.6	176.1	-158.2	178.6	-83.1	-149.5	2.9	111.4	T1976 T1983 R1984 Q1985 Q1989 V1990 E1991	T1976-R1987 PolarHBondContact OG1-NH1 3.47Å; T1983-R1987 VanDerWaalsContact O-CB 3.27Å; T1983-R1987 WeakPolarHBondContact O-CB 3.37Å; T1983-R1987 VanDerWaalsContact O-CG 3.31Å; T1983-R1987 WeakPolarHBondContact O-CG 3.31Å; T1983-R1987 PolarHBondContact O-N 3.16Å; R1984-R1987 PolarHBondContact O-N 2.98Å; Q1985-R1987 VanDerWaalsContact C-N 3.33Å; Q1985-R1987 PolarHBondContact O-N 3.05Å; R1987-Q1989 PolarHBondContact O-N 2.82Å; R1987-V1990 PolarHBondContact O-N 3.36Å; R1987-E1991 VanDerWaalsContact O-CB 3.28Å; R1987-E1991 WeakPolarHBondContact O-CB 3.32Å; R1987-E1991 PolarHBondContact O-N 2.94Å
1988	Q	72.7	Confident	64.7	Low	118.2 Å²	118.2	101.1 Å²	101.1	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-65.7	-37.8	175.7	-73.5	178.2	4.9	0	0	113	R1984 Q1985 L1986 E1991 Q1992	R1984-Q1988 WeakPolarHBondContact O-CB 3.43Å; R1984-Q1988 WeakPolarHBondContact O-CG 3.27Å; R1984-Q1988 PolarHBondContact O-N 3.08Å; Q1985-Q1988 PolarHBondContact O-N 3.12Å; Q1985-Q1988 VanDerWaalsContact O-N 3.17Å; L1986-Q1988 VanDerWaalsContact C-N 3.33Å; L1986-Q1988 PolarHBondContact O-N 3.06Å; Q1988-E1991 PolarHBondContact O-N 3.13Å; Q1988-Q1992 WeakPolarHBondContact O-CB 3.34Å; Q1988-Q1992 VanDerWaalsContact O-CG 3.28Å; Q1988-Q1992 WeakPolarHBondContact O-CG 3.26Å; Q1988-Q1992 PolarHBondContact O-N 2.95Å
1989	Q	69.5	Low	66.2	Low	96.4 Å²	96.4	104.4 Å²	104.4	45%	0.45	49%	0.487	S	S	.	.	H	α-helix	trans	-68.2	-44.4	176.2	-75.1	177.4	-20.2	0	0	111.9	Q1985 L1986 R1987 E1991 Q1992 H1993	Q1985-Q1989 WeakPolarHBondContact O-CB 3.44Å; Q1985-Q1989 WeakPolarHBondContact O-CG 3.35Å; Q1985-Q1989 PolarHBondContact O-N 3.06Å; L1986-Q1989 PolarHBondContact O-N 3.16Å; L1986-Q1989 VanDerWaalsContact O-N 3.15Å; R1987-Q1989 PolarHBondContact O-N 2.82Å; Q1989-E1991 VanDerWaalsContact C-N 3.32Å; Q1989-E1991 PolarHBondContact O-N 3.11Å; Q1989-Q1992 PolarHBondContact O-N 3.05Å; Q1989-H1993 WeakPolarHBondContact O-CB 3.32Å; Q1989-H1993 PolarHBondContact O-CD2 3.4Å; Q1989-H1993 VanDerWaalsContact O-CD2 3.29Å; Q1989-H1993 PolarHBondContact O-N 3.25Å
1990	V	74.1	Confident	67.4	Low	95.6 Å²	95.6	100.7 Å²	100.7	58%	0.579	47%	0.47	S	S	*	.	H	α-helix	trans	-62.4	-41.9	174.7	171.8	0	0	0	0	110.9	L1986 R1987 H1993 H1994	L1986-V1990 WeakPolarHBondContact O-CB 3.34Å; L1986-V1990 VanDerWaalsContact O-CG2 3.31Å; L1986-V1990 WeakPolarHBondContact O-CG2 3.39Å; L1986-V1990 PolarHBondContact O-N 3.11Å; R1987-V1990 PolarHBondContact O-N 3.36Å; V1990-H1993 PolarHBondContact O-N 3.31Å; V1990-H1994 VanDerWaalsContact O-CB 3.3Å; V1990-H1994 WeakPolarHBondContact O-CB 3.32Å; V1990-H1994 PolarHBondContact O-N 3.22Å
1991	E	72.9	Confident	68.1	Low	84.4 Å²	84.4	102.6 Å²	102.6	39%	0.394	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.8	-165.2	-166	150.6	0	0	111.9	R1987 Q1988 Q1989 H1993 H1994 R1995	R1987-E1991 VanDerWaalsContact O-CB 3.28Å; R1987-E1991 WeakPolarHBondContact O-CB 3.32Å; R1987-E1991 PolarHBondContact O-N 2.94Å; Q1988-E1991 PolarHBondContact O-N 3.13Å; Q1989-E1991 VanDerWaalsContact C-N 3.32Å; Q1989-E1991 PolarHBondContact O-N 3.11Å; E1991-H1993 VanDerWaalsContact C-N 3.34Å; E1991-H1993 PolarHBondContact O-N 2.76Å; E1991-H1994 PolarHBondContact O-N 3.16Å; E1991-R1995 HydrophobicContact CG-CG 4.45Å; E1991-R1995 WeakPolarHBondContact O-CB 3.32Å; E1991-R1995 VanDerWaalsContact O-CG 3.29Å; E1991-R1995 WeakPolarHBondContact O-CG 3.31Å; E1991-R1995 PolarHBondContact O-N 3.02Å; E1991-R1995 IonicContact OE1-CZ 3.04Å; E1991-R1995 VanDerWaalsContact OE1-CZ 3.28Å; E1991-R1995 IonicContact OE1-NE 3.13Å; E1991-R1995 PolarHBondContact OE1-NE 3.08Å; E1991-R1995 IonicContact OE1-NH2 3.05Å; E1991-R1995 PolarHBondContact OE1-NH2 3.15Å
1992	Q	74.3	Confident	68.9	Low	91.2 Å²	91.2	103.2 Å²	103.2	43%	0.426	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-41.1	173.7	-76.6	179.2	28	0	0	112.2	Q1988 Q1989 H1994 R1995 R1996	Q1988-Q1992 WeakPolarHBondContact O-CB 3.34Å; Q1988-Q1992 VanDerWaalsContact O-CG 3.28Å; Q1988-Q1992 WeakPolarHBondContact O-CG 3.26Å; Q1988-Q1992 PolarHBondContact O-N 2.95Å; Q1989-Q1992 PolarHBondContact O-N 3.05Å; Q1992-H1994 VanDerWaalsContact C-N 3.32Å; Q1992-H1994 PolarHBondContact O-N 3.34Å; Q1992-R1995 PolarHBondContact O-N 3.06Å; Q1992-R1996 WeakPolarHBondContact O-CB 3.34Å; Q1992-R1996 VanDerWaalsContact O-CG 3.23Å; Q1992-R1996 WeakPolarHBondContact O-CG 3.32Å; Q1992-R1996 PolarHBondContact O-N 2.93Å; Q1992-R1996 VanDerWaalsContact OE1-NH2 3.14Å
1993	H	70	Confident	69	Low	98.2 Å²	98.2	102.1 Å²	102.1	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-64.4	-45	176.2	-157.7	-81.3	0	0	0	111.2	Q1989 V1990 E1991 R1995 R1996 L1997 Y2007	Q1989-H1993 WeakPolarHBondContact O-CB 3.32Å; Q1989-H1993 PolarHBondContact O-CD2 3.4Å; Q1989-H1993 VanDerWaalsContact O-CD2 3.29Å; Q1989-H1993 PolarHBondContact O-N 3.25Å; V1990-H1993 PolarHBondContact O-N 3.31Å; E1991-H1993 VanDerWaalsContact C-N 3.34Å; E1991-H1993 PolarHBondContact O-N 2.76Å; H1993-R1995 PolarHBondContact O-N 3.25Å; H1993-R1996 PolarHBondContact O-N 3.14Å; H1993-R1996 VanDerWaalsContact O-N 3.13Å; H1993-L1997 VanDerWaalsContact O-CB 3.29Å; H1993-L1997 WeakPolarHBondContact O-CB 3.36Å; H1993-L1997 PolarHBondContact O-N 3.05Å; H1993-Y2007 PolarHBondContact CD2-OH 2.83Å; H1993-Y2007 AromaticContact CE1-CZ 3.79Å; H1993-Y2007 PolarHBondContact CE1-OH 2.88Å; H1993-Y2007 PolarHBondContact ND1-OH 3.43Å; H1993-Y2007 AromaticContact NE2-CZ 3.81Å; H1993-Y2007 PolarHBondContact NE2-OH 3.35Å
1994	H	77.8	Confident	68.3	Low	87.6 Å²	87.6	106.3 Å²	106.3	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.9	-170.7	72	0	0	0	112	V1990 E1991 Q1992 R1996 L1997 L1998 F2048	V1990-H1994 VanDerWaalsContact O-CB 3.3Å; V1990-H1994 WeakPolarHBondContact O-CB 3.32Å; V1990-H1994 PolarHBondContact O-N 3.22Å; E1991-H1994 PolarHBondContact O-N 3.16Å; Q1992-H1994 VanDerWaalsContact C-N 3.32Å; Q1992-H1994 PolarHBondContact O-N 3.34Å; H1994-R1996 VanDerWaalsContact C-N 3.34Å; H1994-R1996 PolarHBondContact O-N 3.32Å; H1994-L1997 PolarHBondContact O-N 2.96Å; H1994-L1998 VanDerWaalsContact CD2-CD1 3.46Å; H1994-L1998 WeakPolarHBondContact CD2-CD1 3.36Å; H1994-L1998 WeakPolarHBondContact NE2-CD1 3.12Å; H1994-L1998 VanDerWaalsContact O-CB 3.28Å; H1994-L1998 WeakPolarHBondContact O-CB 3.31Å; H1994-L1998 VanDerWaalsContact O-CG 3.31Å; H1994-L1998 WeakPolarHBondContact O-CG 3.29Å; H1994-L1998 PolarHBondContact O-N 3.07Å; H1994-F2048 AromaticContact ND1-CZ 3.99Å
1995	R	72.5	Confident	67.8	Low	151 Å²	151	106.2 Å²	106.2	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-35.8	174.5	-72.1	176.5	-175.2	-82.3	3.2	113	E1991 Q1992 H1993 L1998 K1999	E1991-R1995 HydrophobicContact CG-CG 4.45Å; E1991-R1995 WeakPolarHBondContact O-CB 3.32Å; E1991-R1995 VanDerWaalsContact O-CG 3.29Å; E1991-R1995 WeakPolarHBondContact O-CG 3.31Å; E1991-R1995 PolarHBondContact O-N 3.02Å; E1991-R1995 IonicContact OE1-CZ 3.04Å; E1991-R1995 VanDerWaalsContact OE1-CZ 3.28Å; E1991-R1995 IonicContact OE1-NE 3.13Å; E1991-R1995 PolarHBondContact OE1-NE 3.08Å; E1991-R1995 IonicContact OE1-NH2 3.05Å; E1991-R1995 PolarHBondContact OE1-NH2 3.15Å; Q1992-R1995 PolarHBondContact O-N 3.06Å; H1993-R1995 PolarHBondContact O-N 3.25Å; R1995-L1998 PolarHBondContact O-N 2.87Å; R1995-K1999 WeakPolarHBondContact O-CB 3.38Å; R1995-K1999 PolarHBondContact O-N 3.05Å
1996	R	67.8	Low	66.6	Low	145.4 Å²	145.4	108 Å²	108	55%	0.549	53%	0.526	S	S	.	.	H	α-helix	trans	-68.7	-43.8	173.6	-74.9	177.8	-173.5	133.1	7	111.8	Q1992 H1993 H1994 K1999 S2000 Y2007	Q1992-R1996 WeakPolarHBondContact O-CB 3.34Å; Q1992-R1996 VanDerWaalsContact O-CG 3.23Å; Q1992-R1996 WeakPolarHBondContact O-CG 3.32Å; Q1992-R1996 PolarHBondContact O-N 2.93Å; Q1992-R1996 VanDerWaalsContact OE1-NH2 3.14Å; H1993-R1996 PolarHBondContact O-N 3.14Å; H1993-R1996 VanDerWaalsContact O-N 3.13Å; H1994-R1996 VanDerWaalsContact C-N 3.34Å; H1994-R1996 PolarHBondContact O-N 3.32Å; R1996-K1999 WeakPolarHBondContact O-CB 3.29Å; R1996-K1999 PolarHBondContact O-N 3.04Å; R1996-S2000 WeakPolarHBondContact O-CB 3.45Å; R1996-S2000 PolarHBondContact O-N 3.11Å; R1996-S2000 VanDerWaalsContact O-N 3.09Å; R1996-Y2007 HydrophobicContact CB-CE2 4.25Å
1997	L	74.9	Confident	65.2	Low	71.6 Å²	71.6	109.4 Å²	109.4	38%	0.375	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-47.4	175.6	-173.1	102.8	0	0	0	111.1	H1993 H1994 K1999 S2000 L2001 Y2007	H1993-L1997 VanDerWaalsContact O-CB 3.29Å; H1993-L1997 WeakPolarHBondContact O-CB 3.36Å; H1993-L1997 PolarHBondContact O-N 3.05Å; H1994-L1997 PolarHBondContact O-N 2.96Å; L1997-K1999 VanDerWaalsContact C-N 3.33Å; L1997-K1999 PolarHBondContact O-N 3.13Å; L1997-S2000 PolarHBondContact O-N 3.19Å; L1997-S2000 VanDerWaalsContact O-N 3.13Å; L1997-L2001 HydrophobicContact CD2-CD1 3.98Å; L1997-L2001 HydrophobicContact CD2-CG 4.49Å; L1997-L2001 HydrophobicContact CG-CD1 4.11Å; L1997-L2001 WeakPolarHBondContact O-CB 3.26Å; L1997-L2001 VanDerWaalsContact O-CG 3.28Å; L1997-L2001 WeakPolarHBondContact O-CG 3.33Å; L1997-L2001 PolarHBondContact O-N 3.08Å; L1997-Y2007 HydrophobicContact CD1-CE2 4.49Å
1998	L	73.2	Confident	63.8	Low	58.6 Å²	58.6	109.4 Å²	109.4	31%	0.307	53%	0.531	S	S	.	.	H	α-helix	trans	-58.5	-41.8	172.9	-77.3	173	0	0	0	112.3	L1939 H1943 H1994 R1995 S2000 L2001 M2002	L1939-L1998 HydrophobicContact CD2-CD2 3.84Å; L1939-L1998 VanDerWaalsContact CD2-CD2 3.45Å; L1939-L1998 HydrophobicContact CD2-CG 4.48Å; L1939-L1998 HydrophobicContact CG-CD2 4.06Å; H1943-L1998 VanDerWaalsContact NE2-CD1 3.33Å; H1943-L1998 WeakPolarHBondContact NE2-CD1 3.45Å; H1994-L1998 VanDerWaalsContact CD2-CD1 3.46Å; H1994-L1998 WeakPolarHBondContact CD2-CD1 3.36Å; H1994-L1998 WeakPolarHBondContact NE2-CD1 3.12Å; H1994-L1998 VanDerWaalsContact O-CB 3.28Å; H1994-L1998 WeakPolarHBondContact O-CB 3.31Å; H1994-L1998 VanDerWaalsContact O-CG 3.31Å; H1994-L1998 WeakPolarHBondContact O-CG 3.29Å; H1994-L1998 PolarHBondContact O-N 3.07Å; R1995-L1998 PolarHBondContact O-N 2.87Å; L1998-S2000 VanDerWaalsContact C-N 3.32Å; L1998-S2000 PolarHBondContact O-N 3.3Å; L1998-L2001 CarbonylContact O-C 3.12Å; L1998-L2001 PolarHBondContact O-N 3.14Å; L1998-M2002 WeakPolarHBondContact O-CB 3.32Å; L1998-M2002 VanDerWaalsContact O-CG 3.26Å; L1998-M2002 WeakPolarHBondContact O-CG 3.32Å; L1998-M2002 PolarHBondContact O-N 3.18Å; L1998-M2002 VanDerWaalsContact O-N 3.1Å
1999	K	72.1	Confident	62.1	Low	136.8 Å²	136.8	108.3 Å²	108.3	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-62.4	-47.3	177	-168.1	-168.6	175.4	-131.9	0	111.3	R1995 R1996 L1997 L2001 M2002 S2003 E2005	R1995-K1999 WeakPolarHBondContact O-CB 3.38Å; R1995-K1999 PolarHBondContact O-N 3.05Å; R1996-K1999 WeakPolarHBondContact O-CB 3.29Å; R1996-K1999 PolarHBondContact O-N 3.04Å; L1997-K1999 VanDerWaalsContact C-N 3.33Å; L1997-K1999 PolarHBondContact O-N 3.13Å; K1999-L2001 VanDerWaalsContact C-N 3.33Å; K1999-L2001 PolarHBondContact O-N 3.22Å; K1999-M2002 CarbonylContact O-C 3.43Å; K1999-M2002 WeakPolarHBondContact O-CA 3.38Å; K1999-M2002 PolarHBondContact O-N 3.22Å; K1999-S2003 WeakPolarHBondContact O-CB 3.47Å; K1999-S2003 PolarHBondContact O-N 3.11Å; K1999-S2003 VanDerWaalsContact O-N 3.09Å; K1999-S2003 PolarHBondContact O-OG 3.14Å; K1999-S2003 VanDerWaalsContact O-OG 3.12Å; K1999-E2005 IonicContact NZ-OE2 2.76Å; K1999-E2005 PolarHBondContact NZ-OE2 3.31Å
2000	S	65.4	Low	60.4	Low	38 Å²	38	108.2 Å²	108.2	27%	0.266	55%	0.547	S	S	.	.	H	α-helix	trans	-62.9	-38.9	177.9	-179.7	0	0	0	0	112.3	R1996 L1997 L1998 M2002 S2003 D2004 E2005	R1996-S2000 WeakPolarHBondContact O-CB 3.45Å; R1996-S2000 PolarHBondContact O-N 3.11Å; R1996-S2000 VanDerWaalsContact O-N 3.09Å; L1997-S2000 PolarHBondContact O-N 3.19Å; L1997-S2000 VanDerWaalsContact O-N 3.13Å; L1998-S2000 VanDerWaalsContact C-N 3.32Å; L1998-S2000 PolarHBondContact O-N 3.3Å; S2000-M2002 PolarHBondContact O-N 3.08Å; S2000-M2002 VanDerWaalsContact O-N 3.1Å; S2000-S2003 PolarHBondContact O-N 3.24Å; S2000-S2003 VanDerWaalsContact O-N 3.09Å; S2000-S2003 PolarHBondContact O-OG 2.9Å; S2000-D2004 PolarHBondContact O-N 3.19Å; S2000-E2005 PolarHBondContact OG-O 3.01Å
2001	L	64.2	Low	58.5	Low	118.4 Å²	118.4	113.2 Å²	113.2	62%	0.62	56%	0.556	S	S	*	*	H	α-helix	trans	-72.1	-8.8	174.3	-70.6	170.7	0	0	0	114.3	L1997 L1998 K1999	L1997-L2001 HydrophobicContact CD2-CD1 3.98Å; L1997-L2001 HydrophobicContact CD2-CG 4.49Å; L1997-L2001 HydrophobicContact CG-CD1 4.11Å; L1997-L2001 WeakPolarHBondContact O-CB 3.26Å; L1997-L2001 VanDerWaalsContact O-CG 3.28Å; L1997-L2001 WeakPolarHBondContact O-CG 3.33Å; L1997-L2001 PolarHBondContact O-N 3.08Å; L1998-L2001 CarbonylContact O-C 3.12Å; L1998-L2001 PolarHBondContact O-N 3.14Å; K1999-L2001 VanDerWaalsContact C-N 3.33Å; K1999-L2001 PolarHBondContact O-N 3.22Å
2002	M	65.5	Low	56.4	Low	149.4 Å²	149.4	113.5 Å²	113.5	74%	0.736	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	1.9	178.1	-70.1	-174.6	70.8	0	0	113.6	L1998 K1999 S2000	L1998-M2002 WeakPolarHBondContact O-CB 3.32Å; L1998-M2002 VanDerWaalsContact O-CG 3.26Å; L1998-M2002 WeakPolarHBondContact O-CG 3.32Å; L1998-M2002 PolarHBondContact O-N 3.18Å; L1998-M2002 VanDerWaalsContact O-N 3.1Å; K1999-M2002 CarbonylContact O-C 3.43Å; K1999-M2002 WeakPolarHBondContact O-CA 3.38Å; K1999-M2002 PolarHBondContact O-N 3.22Å; S2000-M2002 PolarHBondContact O-N 3.08Å; S2000-M2002 VanDerWaalsContact O-N 3.1Å
2003	S	59.4	Low	54.2	Low	52.2 Å²	52.2	114.6 Å²	114.6	37%	0.365	58%	0.582	S	S	.	*			trans	-124.2	40.8	179.6	58.7	0	0	0	0	113	K1999 S2000 E2005	K1999-S2003 WeakPolarHBondContact O-CB 3.47Å; K1999-S2003 PolarHBondContact O-N 3.11Å; K1999-S2003 VanDerWaalsContact O-N 3.09Å; K1999-S2003 PolarHBondContact O-OG 3.14Å; K1999-S2003 VanDerWaalsContact O-OG 3.12Å; S2000-S2003 PolarHBondContact O-N 3.24Å; S2000-S2003 VanDerWaalsContact O-N 3.09Å; S2000-S2003 PolarHBondContact O-OG 2.9Å; S2003-E2005 VanDerWaalsContact C-N 3.25Å; S2003-E2005 PolarHBondContact O-N 3.13Å
2004	D	43.3	Very low	52.2	Low	154.4 Å²	154.4	114.2 Å²	114.2	83%	0.826	59%	0.591	S	S	*	*			trans	12	25.7	-176.5	-59.3	-40	0	0	0	113.9	S2000	S2000-D2004 PolarHBondContact O-N 3.19Å
2005	E	49.4	Very low	49.8	Very low	135.2 Å²	135.2	117 Å²	117	63%	0.632	60%	0.602	S	S	*	*			trans	-87.7	134.8	174.7	-71.5	-170.4	141.7	0	0	110.8	K1999 S2000 S2003 Y2007	K1999-E2005 IonicContact NZ-OE2 2.76Å; K1999-E2005 PolarHBondContact NZ-OE2 3.31Å; S2000-E2005 PolarHBondContact OG-O 3.01Å; S2003-E2005 VanDerWaalsContact C-N 3.25Å; S2003-E2005 PolarHBondContact O-N 3.13Å; E2005-Y2007 PolarHBondContact O-N 3.03Å
2006	P	41.4	Very low	47.7	Very low	122 Å²	122	114.4 Å²	114.4	79%	0.792	61%	0.606	S	S	*	*			trans	-66.5	130.9	179.9	27.5	-33.9	0	0	0	111.1	E2008	P2006-E2008 PolarHBondContact O-N 3.18Å; P2006-E2008 VanDerWaalsContact O-N 3.14Å
2007	Y	39.5	Very low	45.9	Very low	134.6 Å²	134.6	114.2 Å²	114.2	53%	0.528	62%	0.616	S	S	.	*			trans	-82.7	105.2	178.5	-161.7	-97.6	0	0	0	112.2	H1993 R1996 L1997 E2005 S2009	H1993-Y2007 PolarHBondContact CD2-OH 2.83Å; H1993-Y2007 AromaticContact CE1-CZ 3.79Å; H1993-Y2007 PolarHBondContact CE1-OH 2.88Å; H1993-Y2007 PolarHBondContact ND1-OH 3.43Å; H1993-Y2007 AromaticContact NE2-CZ 3.81Å; H1993-Y2007 PolarHBondContact NE2-OH 3.35Å; R1996-Y2007 HydrophobicContact CB-CE2 4.25Å; L1997-Y2007 HydrophobicContact CD1-CE2 4.49Å; E2005-Y2007 PolarHBondContact O-N 3.03Å; Y2007-S2009 PolarHBondContact O-N 2.99Å
2008	E	39.1	Very low	43.7	Very low	157.4 Å²	157.4	119 Å²	119	74%	0.736	64%	0.635	S	S	*	*			trans	-66.5	120.2	172	-72.9	-164.4	151.4	0	0	111.1	P2006 S2010	P2006-E2008 PolarHBondContact O-N 3.18Å; P2006-E2008 VanDerWaalsContact O-N 3.14Å; E2008-S2010 VanDerWaalsContact C-N 3.28Å; E2008-S2010 WeakPolarHBondContact CB-OG 3.42Å; E2008-S2010 PolarHBondContact O-N 3.12Å; E2008-S2010 PolarHBondContact OE2-OG 3.17Å
2009	S	37.1	Very low	41.7	Very low	96 Å²	96	121.8 Å²	121.8	67%	0.671	65%	0.65	S	S	*	*			trans	-77.1	62	176.6	74	0	0	0	0	112.3	Y2007 W2011	Y2007-S2009 PolarHBondContact O-N 2.99Å; S2009-W2011 VanDerWaalsContact C-N 3.3Å; S2009-W2011 PolarHBondContact O-N 3.03Å
2010	S	34.6	Very low	39.7	Very low	93.8 Å²	93.8	121.4 Å²	121.4	66%	0.656	65%	0.654	S	S	*	*			trans	-96.7	72.1	177.6	55.5	0	0	0	0	111.7	E2008	E2008-S2010 VanDerWaalsContact C-N 3.28Å; E2008-S2010 WeakPolarHBondContact CB-OG 3.42Å; E2008-S2010 PolarHBondContact O-N 3.12Å; E2008-S2010 PolarHBondContact OE2-OG 3.17Å
2011	W	34	Very low	38	Very low	202 Å²	202	125.9 Å²	125.9	77%	0.765	67%	0.671	S	S	*	*			trans	-57.9	135.9	164.8	-78.3	88.7	0	0	0	110.1	S2009 S2013 F2015	S2009-W2011 VanDerWaalsContact C-N 3.3Å; S2009-W2011 PolarHBondContact O-N 3.03Å; W2011-S2013 VanDerWaalsContact C-N 3.34Å; W2011-S2013 PolarHBondContact O-N 3.06Å; W2011-S2013 VanDerWaalsContact O-N 3.13Å; W2011-F2015 HydrophobicContact CE3-CD2 4.1Å; W2011-F2015 HydrophobicContact CE3-CE2 4.18Å; W2011-F2015 HydrophobicContact CZ3-CD2 4.39Å; W2011-F2015 HydrophobicContact CZ3-CE2 4.3Å
2012	P	28.8	Very low	36.4	Very low	90.4 Å²	90.4	122.8 Å²	122.8	59%	0.587	67%	0.667	S	S	*	*			trans	-65.6	107.9	169.4	-0.7	7.2	0	0	0	109.7	S2014 F2015	P2012-S2014 PolarHBondContact O-N 3.22Å; P2012-F2015 HydrophobicContact CB-CD2 4.42Å; P2012-F2015 HydrophobicContact CB-CE2 4.43Å; P2012-F2015 HydrophobicContact CG-CE2 4.21Å; P2012-F2015 HydrophobicContact CG-CZ 4.43Å; P2012-F2015 WeakPolarHBondContact O-CD2 3.48Å; P2012-F2015 PolarHBondContact O-N 3.47Å
2013	S	27.3	Very low	34.7	Very low	113 Å²	113	125.6 Å²	125.6	79%	0.79	67%	0.67	S	S	*	*			trans	-70.7	44	178	59.6	0	0	0	0	112.3	W2011 F2015 S2016	W2011-S2013 VanDerWaalsContact C-N 3.34Å; W2011-S2013 PolarHBondContact O-N 3.06Å; W2011-S2013 VanDerWaalsContact O-N 3.13Å; S2013-F2015 PolarHBondContact O-N 2.71Å; S2013-S2016 PolarHBondContact O-N 3.3Å; S2013-S2016 PolarHBondContact O-OG 3.06Å
2014	S	29	Very low	33.3	Very low	90.2 Å²	90.2	129.4 Å²	129.4	63%	0.631	69%	0.686	S	S	*	*			trans	-130.6	25	179.9	-56.8	0	0	0	0	113.3	P2012 S2016	P2012-S2014 PolarHBondContact O-N 3.22Å; S2014-S2016 PolarHBondContact O-N 2.87Å
2015	F	27.9	Very low	32.7	Very low	147.2 Å²	147.2	127.6 Å²	127.6	65%	0.646	68%	0.676	S	S	*	*			trans	-91.6	12.2	165.5	-79.2	-73.3	0	0	0	112.5	W2011 P2012 S2013 N2017 F2018	W2011-F2015 HydrophobicContact CE3-CD2 4.1Å; W2011-F2015 HydrophobicContact CE3-CE2 4.18Å; W2011-F2015 HydrophobicContact CZ3-CD2 4.39Å; W2011-F2015 HydrophobicContact CZ3-CE2 4.3Å; P2012-F2015 HydrophobicContact CB-CD2 4.42Å; P2012-F2015 HydrophobicContact CB-CE2 4.43Å; P2012-F2015 HydrophobicContact CG-CE2 4.21Å; P2012-F2015 HydrophobicContact CG-CZ 4.43Å; P2012-F2015 WeakPolarHBondContact O-CD2 3.48Å; P2012-F2015 PolarHBondContact O-N 3.47Å; S2013-F2015 PolarHBondContact O-N 2.71Å; F2015-N2017 VanDerWaalsContact C-N 3.31Å; F2015-N2017 PolarHBondContact O-N 3.19Å; F2015-N2017 VanDerWaalsContact O-N 3.14Å; F2015-F2018 HydrophobicContact CD1-CE2 4.17Å; F2015-F2018 PolarHBondContact O-N 3.46Å
2016	S	28.6	Very low	31.7	Very low	95 Å²	95	125.6 Å²	125.6	66%	0.664	68%	0.677	S	S	*	*			trans	-82.3	37.5	173.5	57.7	0	0	0	0	112.7	S2013 S2014	S2013-S2016 PolarHBondContact O-N 3.3Å; S2013-S2016 PolarHBondContact O-OG 3.06Å; S2014-S2016 PolarHBondContact O-N 2.87Å
2017	N	28.6	Very low	31	Very low	142 Å²	142	129.2 Å²	129.2	76%	0.759	68%	0.676	S	S	*	*			trans	-126.3	49.6	-177.2	-68.3	-2.4	0	0	0	113.6	F2015 D2019	F2015-N2017 VanDerWaalsContact C-N 3.31Å; F2015-N2017 PolarHBondContact O-N 3.19Å; F2015-N2017 VanDerWaalsContact O-N 3.14Å; N2017-D2019 VanDerWaalsContact C-N 3.32Å; N2017-D2019 HydrophobicContact CB-CB 4.44Å; N2017-D2019 PolarHBondContact O-N 3.14Å; N2017-D2019 VanDerWaalsContact O-N 3.11Å
2018	F	28.8	Very low	30.5	Very low	172.8 Å²	172.8	128 Å²	128	76%	0.758	69%	0.686	S	S	*	*			trans	-77.2	86.3	160.9	-123.6	-83.2	0	0	0	109.1	F2015 L2020	F2015-F2018 HydrophobicContact CD1-CE2 4.17Å; F2015-F2018 PolarHBondContact O-N 3.46Å; F2018-L2020 VanDerWaalsContact C-N 3.29Å; F2018-L2020 PolarHBondContact O-N 3.14Å
2019	D	30.8	Very low	30	Very low	116.2 Å²	116.2	128.1 Å²	128.1	62%	0.621	69%	0.692	S	S	*	*			trans	-74.8	94.3	178.4	-157.4	-10.7	0	0	0	110.8	N2017 Q2021 G2022 Y2023	N2017-D2019 VanDerWaalsContact C-N 3.32Å; N2017-D2019 HydrophobicContact CB-CB 4.44Å; N2017-D2019 PolarHBondContact O-N 3.14Å; N2017-D2019 VanDerWaalsContact O-N 3.11Å; D2019-Q2021 PolarHBondContact O-N 3.1Å; D2019-Q2021 VanDerWaalsContact O-N 3.09Å; D2019-Q2021 WeakPolarHBondContact OD1-CA 3.47Å; D2019-Q2021 WeakPolarHBondContact OD1-CB 3.38Å; D2019-Q2021 PolarHBondContact OD1-N 3.21Å; D2019-G2022 PolarHBondContact O-N 3.01Å; D2019-G2022 VanDerWaalsContact O-N 3.16Å; D2019-G2022 PolarHBondContact OD1-N 3.09Å; D2019-G2022 VanDerWaalsContact OD1-N 3.12Å; D2019-G2022 WeakPolarHBondContact OD2-CA 3.34Å; D2019-G2022 PolarHBondContact OD2-N 2.92Å; D2019-Y2023 PolarHBondContact O-N 3.42Å; D2019-Y2023 VanDerWaalsContact O-N 3.11Å
2020	L	30.5	Very low	29.5	Very low	130 Å²	130	132 Å²	132	68%	0.681	70%	0.7	S	S	*	*	H	α-helix	trans	-69.3	-9.9	178.3	-134.9	96.1	0	0	0	112	F2018 G2022 Y2023 L2024	F2018-L2020 VanDerWaalsContact C-N 3.29Å; F2018-L2020 PolarHBondContact O-N 3.14Å; L2020-G2022 VanDerWaalsContact C-N 3.3Å; L2020-G2022 PolarHBondContact O-N 3.02Å; L2020-Y2023 PolarHBondContact O-N 3.1Å; L2020-L2024 HydrophobicContact CG-CD1 4.35Å; L2020-L2024 WeakPolarHBondContact O-CB 3.26Å; L2020-L2024 WeakPolarHBondContact O-CD1 3.45Å; L2020-L2024 VanDerWaalsContact O-CG 3.23Å; L2020-L2024 WeakPolarHBondContact O-CG 3.41Å; L2020-L2024 PolarHBondContact O-N 3.24Å; L2020-L2024 VanDerWaalsContact O-N 3.09Å
2021	Q	30.1	Very low	29.2	Very low	132.4 Å²	132.4	132.8 Å²	132.8	62%	0.619	71%	0.705	S	S	*	*	H	α-helix	trans	-80.9	-30.3	178.3	-141.7	75.2	51.2	0	0	111.8	D2019 Y2023 L2024 N2025 P2216	D2019-Q2021 PolarHBondContact O-N 3.1Å; D2019-Q2021 VanDerWaalsContact O-N 3.09Å; D2019-Q2021 WeakPolarHBondContact OD1-CA 3.47Å; D2019-Q2021 WeakPolarHBondContact OD1-CB 3.38Å; D2019-Q2021 PolarHBondContact OD1-N 3.21Å; Q2021-Y2023 VanDerWaalsContact C-N 3.29Å; Q2021-Y2023 PolarHBondContact O-N 3.08Å; Q2021-L2024 PolarHBondContact O-N 3.01Å; Q2021-N2025 WeakPolarHBondContact O-CB 3.4Å; Q2021-N2025 PolarHBondContact O-N 3.43Å; Q2021-N2025 PolarHBondContact O-ND2 3.17Å; Q2021-N2025 PolarHBondContact O-OD1 3.27Å; Q2021-P2216 HydrophobicContact CG-CG 4.06Å
2022	G	31	Very low	29	Very low	52 Å²	52	131.9 Å²	131.9	54%	0.536	71%	0.71	S	S	.	*	H	α-helix	trans	-67.7	-23	174.9	0	0	0	0	0	115.5	D2019 L2020 L2024	D2019-G2022 PolarHBondContact O-N 3.01Å; D2019-G2022 VanDerWaalsContact O-N 3.16Å; D2019-G2022 PolarHBondContact OD1-N 3.09Å; D2019-G2022 VanDerWaalsContact OD1-N 3.12Å; D2019-G2022 WeakPolarHBondContact OD2-CA 3.34Å; D2019-G2022 PolarHBondContact OD2-N 2.92Å; L2020-G2022 VanDerWaalsContact C-N 3.3Å; L2020-G2022 PolarHBondContact O-N 3.02Å; G2022-L2024 PolarHBondContact O-N 3.34Å; G2022-L2024 VanDerWaalsContact O-N 3.17Å
2023	Y	29.1	Very low	28.9	Very low	208.4 Å²	208.4	135.9 Å²	135.9	82%	0.817	72%	0.723	S	S	*	*	H	α-helix	trans	-84.5	-4.6	177.7	-118.9	-86.8	0	0	0	113.3	D2019 L2020 Q2021	D2019-Y2023 PolarHBondContact O-N 3.42Å; D2019-Y2023 VanDerWaalsContact O-N 3.11Å; L2020-Y2023 PolarHBondContact O-N 3.1Å; Q2021-Y2023 VanDerWaalsContact C-N 3.29Å; Q2021-Y2023 PolarHBondContact O-N 3.08Å
2024	L	30.5	Very low	28.8	Very low	132.6 Å²	132.6	141.4 Å²	141.4	69%	0.694	73%	0.726	S	S	*	*	H	α-helix	trans	-102.2	-3.4	175.7	-81.4	172.3	0	0	0	113.6	L2020 Q2021 G2022 S2026	L2020-L2024 HydrophobicContact CG-CD1 4.35Å; L2020-L2024 WeakPolarHBondContact O-CB 3.26Å; L2020-L2024 WeakPolarHBondContact O-CD1 3.45Å; L2020-L2024 VanDerWaalsContact O-CG 3.23Å; L2020-L2024 WeakPolarHBondContact O-CG 3.41Å; L2020-L2024 PolarHBondContact O-N 3.24Å; L2020-L2024 VanDerWaalsContact O-N 3.09Å; Q2021-L2024 PolarHBondContact O-N 3.01Å; G2022-L2024 PolarHBondContact O-N 3.34Å; G2022-L2024 VanDerWaalsContact O-N 3.17Å; L2024-S2026 VanDerWaalsContact C-N 3.28Å; L2024-S2026 PolarHBondContact O-N 3.31Å
2025	N	29.5	Very low	28.8	Very low	116.4 Å²	116.4	142.7 Å²	142.7	62%	0.622	73%	0.733	S	S	*	*			trans	-116.8	41.2	173.5	-78.8	-30.3	0	0	0	113.2	Q2021 C2214 Q2215	Q2021-N2025 WeakPolarHBondContact O-CB 3.4Å; Q2021-N2025 PolarHBondContact O-N 3.43Å; Q2021-N2025 PolarHBondContact O-ND2 3.17Å; Q2021-N2025 PolarHBondContact O-OD1 3.27Å; N2025-C2214 HydrophobicContact CB-CB 4.37Å; N2025-C2214 VanDerWaalsContact CG-CB 3.45Å; N2025-C2214 WeakPolarHBondContact ND2-CB 3.31Å; N2025-C2214 WeakPolarHBondContact OD1-CB 3.47Å; N2025-C2214 PolarHBondContact OD1-SG 3.35Å; N2025-Q2215 PolarHBondContact ND2-OE1 2.98Å
2026	S	28.3	Very low	28.9	Very low	92.8 Å²	92.8	141.3 Å²	141.3	65%	0.649	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	48.8	178.5	147	0	0	0	0	113	L2024	L2024-S2026 VanDerWaalsContact C-N 3.28Å; L2024-S2026 PolarHBondContact O-N 3.31Å
2027	Y	28.7	Very low	28.8	Very low	197.2 Å²	197.2	142.2 Å²	142.2	77%	0.773	74%	0.737	S	S	*	*			trans	-173.1	95.8	179.3	-85	-82.6	0	0	0	112.8
2028	C	27.7	Very low	28.7	Very low	109.4 Å²	109.4	142.6 Å²	142.6	74%	0.739	74%	0.739	S	S	*	*				-139.9	122.9	129.5	-81.8	0	0	0	0	109.9	T2213	C2028-T2213 HydrophobicContact CB-CG2 4.46Å
2029	D	29.1	Very low	28.7	Very low	161.2 Å²	161.2	141 Å²	141	86%	0.862	74%	0.737	S	S	*	*			trans	-120.2	129.2	150.2	-139.6	-16.2	0	0	0	109.3	S2031	D2029-S2031 PolarHBondContact O-N 2.98Å
2030	E	26.9	Very low	28.5	Very low	177.2 Å²	177.2	140.2 Å²	140.2	83%	0.828	74%	0.741	S	S	*	*			trans	-85.2	117.6	-174.1	-72.7	-164	154	0	0	113.1
2031	S	28.9	Very low	28.4	Very low	109.4 Å²	109.4	139.1 Å²	139.1	77%	0.765	74%	0.744	S	S	*	*			trans	-154.7	130.5	145.5	41.4	0	0	0	0	112.8	D2029 M2033	D2029-S2031 PolarHBondContact O-N 2.98Å; S2031-M2033 PolarHBondContact O-N 3.44Å
2032	E	28.5	Very low	28.2	Very low	184.2 Å²	184.2	138.7 Å²	138.7	86%	0.861	75%	0.751	S	S	*	*			trans	42	95.7	168.2	-57.5	-165.3	131.8	0	0	119.5	R2034	E2032-R2034 PolarHBondContact O-N 3.37Å
2033	M	27.1	Very low	28.1	Very low	175.2 Å²	175.2	144 Å²	144	86%	0.863	77%	0.766	S	S	*	*			trans	-148.2	109.5	140.6	-75.7	-143.3	-177.3	0	0	116.7	S2031	S2031-M2033 PolarHBondContact O-N 3.44Å
2034	R	26	Very low	28.1	Very low	227.6 Å²	227.6	138.1 Å²	138.1	86%	0.859	76%	0.76	S	S	*	*			trans	-115.1	142.6	149.9	-135.3	-176.6	-179.1	-179.6	1.2	113.9	E2032 T2036	E2032-R2034 PolarHBondContact O-N 3.37Å; R2034-T2036 PolarHBondContact O-N 3.21Å; R2034-T2036 PolarHBondContact O-OG1 3.31Å
2035	P	29	Very low	28.2	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	76%	0.761	S	S	*	*			trans	-98.9	145.9	-158.9	34.8	-32.1	0	0	0	112.8
2036	T	28.2	Very low	28.4	Very low	116.8 Å²	116.8	136.8 Å²	136.8	72%	0.717	77%	0.766	S	S	*	*			trans	-142.2	113.8	157.8	31.2	0	0	0	0	112.8	R2034 L2038	R2034-T2036 PolarHBondContact O-N 3.21Å; R2034-T2036 PolarHBondContact O-OG1 3.31Å; T2036-L2038 PolarHBondContact O-N 3.26Å
2037	T	27.6	Very low	28.5	Very low	113.4 Å²	113.4	139.3 Å²	139.3	70%	0.696	77%	0.771	S	S	*	*			trans	9.7	119.8	151	54.8	0	0	0	0	117.9	I2039	T2037-I2039 PolarHBondContact O-N 3.09Å
2038	L	26.4	Very low	28.4	Very low	152.4 Å²	152.4	137.9 Å²	137.9	80%	0.798	77%	0.769	S	S	*	*				172.3	107.7	94.9	-73.7	174.9	0	0	0	112.3	T2036 S2040 P2084	T2036-L2038 PolarHBondContact O-N 3.26Å; L2038-S2040 PolarHBondContact O-N 3.36Å; L2038-P2084 CarbonylContact O-C 3.25Å; L2038-P2084 VanDerWaalsContact O-C 3.25Å; L2038-P2084 WeakPolarHBondContact O-CB 3.4Å; L2038-P2084 WeakPolarHBondContact O-CD 3.44Å; L2038-P2084 WeakPolarHBondContact O-CG 3.36Å
2039	I	29.1	Very low	28.5	Very low	137.2 Å²	137.2	137.5 Å²	137.5	70%	0.704	77%	0.767	S	S	*	*			trans	-152.8	106.9	141.7	-61.8	156.5	0	0	0	110	T2037 P2084	T2037-I2039 PolarHBondContact O-N 3.09Å; I2039-P2084 HydrophobicContact CB-CB 4.17Å; I2039-P2084 WeakPolarHBondContact O-CB 3.31Å; I2039-P2084 WeakPolarHBondContact O-CG 3.47Å
2040	S	26.8	Very low	28.4	Very low	100.4 Å²	100.4	136 Å²	136	70%	0.702	76%	0.764	S	S	*	*			trans	-159.4	91.8	162.9	-66.3	0	0	0	0	113.9	L2038	L2038-S2040 PolarHBondContact O-N 3.36Å
2041	S	27.4	Very low	28.3	Very low	106.6 Å²	106.6	131.8 Å²	131.8	75%	0.745	76%	0.76	S	S	*	*			trans	160.1	121.7	138.2	56.2	0	0	0	0	113.7
2042	T	27.5	Very low	28.3	Very low	124.6 Å²	124.6	130.9 Å²	130.9	76%	0.764	75%	0.753	S	S	*	*			trans	-118.9	132.4	149.4	54.3	0	0	0	0	113.6	A2044	T2042-A2044 PolarHBondContact O-N 3.32Å
2043	L	28.7	Very low	28.3	Very low	163 Å²	163	128 Å²	128	85%	0.853	75%	0.749	S	S	*	*			trans	-122.6	106.7	146.6	-102.6	88.4	0	0	0	112.2	I1907	I1907-L2043 HydrophobicContact CD1-CB 3.58Å; I1907-L2043 HydrophobicContact CD1-CD2 4.5Å
2044	A	27.9	Very low	28.3	Very low	84 Å²	84	131.3 Å²	131.3	69%	0.694	75%	0.751	S	S	*	*			trans	-156.9	128.9	161.8	0	0	0	0	0	112	T2042	T2042-A2044 PolarHBondContact O-N 3.32Å
2045	P	33.5	Very low	28.5	Very low	111.8 Å²	111.8	127.2 Å²	127.2	73%	0.726	75%	0.746	S	S	*	*			trans	-84.6	163.1	172	16	-8.4	0	0	0	112.1	I2047	P2045-I2047 PolarHBondContact O-N 3.14Å; P2045-I2047 VanDerWaalsContact O-N 3.09Å
2046	P	34.2	Very low	28.5	Very low	110.8 Å²	110.8	126.4 Å²	126.4	72%	0.719	74%	0.741	S	S	*	*			trans	-86.1	148	160.9	30	-24.2	0	0	0	110.7	F2048	P2046-F2048 PolarHBondContact O-N 3.11Å
2047	I	29.1	Very low	28.6	Very low	145.6 Å²	145.6	128.2 Å²	128.2	75%	0.747	75%	0.745	S	S	*	*				-107.4	112.5	129.5	-67.2	168.5	0	0	0	111.3	P2045	P2045-I2047 PolarHBondContact O-N 3.14Å; P2045-I2047 VanDerWaalsContact O-N 3.09Å
2048	F	27.6	Very low	28.6	Very low	167.4 Å²	167.4	127.6 Å²	127.6	73%	0.734	75%	0.746	S	S	*	*			trans	-6.1	109.6	165.1	-61.5	-77	0	0	0	115.1	H1994 P2046 V2179	H1994-F2048 AromaticContact ND1-CZ 3.99Å; P2046-F2048 PolarHBondContact O-N 3.11Å; F2048-V2179 HydrophobicContact CE1-CG1 4.48Å
2049	S	28.3	Very low	28.8	Very low	101.4 Å²	101.4	127.6 Å²	127.6	71%	0.709	75%	0.745	S	S	*	*				-165.5	121.8	64.5	-70.7	0	0	0	0	112.5
2050	T	27.1	Very low	28.8	Very low	129.8 Å²	129.8	128.4 Å²	128.4	80%	0.796	75%	0.746	S	S	*	*			trans	-127.2	128.9	168.5	48	0	0	0	0	112.1
2051	A	26.5	Very low	28.9	Very low	88.8 Å²	88.8	132.5 Å²	132.5	73%	0.734	75%	0.753	S	S	*	*			trans	110.7	121.3	162.5	0	0	0	0	0	114.4	T2792 T2793	A2051-T2792 HydrophobicContact CB-CG2 3.93Å; A2051-T2793 CarbonylContact C-O 3.5Å; A2051-T2793 WeakPolarHBondContact CA-O 3.44Å; A2051-T2793 VanDerWaalsContact CB-O 3.31Å; A2051-T2793 WeakPolarHBondContact CB-O 3.17Å
2052	S	28.7	Very low	28.9	Very low	90.8 Å²	90.8	130.7 Å²	130.7	64%	0.635	75%	0.752	S	S	*	*			trans	-132.3	145.3	144.2	-121.9	0	0	0	0	112.5	R2054 T2793 T2794	S2052-R2054 PolarHBondContact O-N 2.6Å; S2052-T2793 PolarHBondContact N-O 2.82Å; S2052-T2793 PolarHBondContact OG-O 3.49Å; S2052-T2793 PolarHBondContact OG-OG1 3.24Å; S2052-T2794 WeakPolarHBondContact OG-CA 3.41Å; S2052-T2794 PolarHBondContact OG-N 3.37Å; S2052-T2794 VanDerWaalsContact OG-N 3.12Å; S2052-T2794 PolarHBondContact OG-O 3.33Å
2053	T	27.5	Very low	28.9	Very low	123.4 Å²	123.4	134 Å²	134	76%	0.757	76%	0.756	S	S	*	*			trans	-53.7	126.8	157.4	43.1	0	0	0	0	113	L2055	T2053-L2055 PolarHBondContact O-N 3.17Å; T2053-L2055 VanDerWaalsContact O-N 3.16Å
2054	R	28.1	Very low	29.2	Very low	242.6 Å²	242.6	133.1 Å²	133.1	92%	0.915	75%	0.751	S	S	*	*			trans	-109.4	92	157.9	-96.2	-171.4	176.6	-131.6	-1.5	109.5	S2052	S2052-R2054 PolarHBondContact O-N 2.6Å
2055	L	29.5	Very low	29.2	Very low	143 Å²	143	135.7 Å²	135.7	75%	0.749	75%	0.752	S	S	*	*			trans	-19.6	140.5	144.5	-69.8	166.3	0	0	0	111	T2053 L2057	T2053-L2055 PolarHBondContact O-N 3.17Å; T2053-L2055 VanDerWaalsContact O-N 3.16Å; L2055-L2057 HydrophobicContact CB-CD1 4.49Å; L2055-L2057 HydrophobicContact CB-CG 4.07Å; L2055-L2057 HydrophobicContact CD1-CD1 4.16Å; L2055-L2057 HydrophobicContact CD1-CG 4.23Å; L2055-L2057 PolarHBondContact O-N 2.9Å
2056	P	29	Very low	29.1	Very low	101.6 Å²	101.6	138.5 Å²	138.5	66%	0.66	76%	0.756	S	S	*	*			trans	-82.8	119.1	167	32.6	-30.6	0	0	0	110.9	S2058 D2170	P2056-S2058 PolarHBondContact O-N 2.85Å; P2056-D2170 VanDerWaalsContact CD-OD2 3.23Å; P2056-D2170 WeakPolarHBondContact CD-OD2 3.34Å; P2056-D2170 HydrophobicContact CG-CB 4.27Å; P2056-D2170 WeakPolarHBondContact CG-OD2 3.41Å
2057	L	29.9	Very low	29	Very low	153 Å²	153	139.1 Å²	139.1	80%	0.801	76%	0.758	S	S	*	*			trans	-80.4	96.1	164.3	-83.1	169.1	0	0	0	112.1	L2055 I2059	L2055-L2057 HydrophobicContact CB-CD1 4.49Å; L2055-L2057 HydrophobicContact CB-CG 4.07Å; L2055-L2057 HydrophobicContact CD1-CD1 4.16Å; L2055-L2057 HydrophobicContact CD1-CG 4.23Å; L2055-L2057 PolarHBondContact O-N 2.9Å; L2057-I2059 VanDerWaalsContact C-N 3.33Å; L2057-I2059 PolarHBondContact O-N 3.17Å; L2057-I2059 VanDerWaalsContact O-N 3.11Å
2058	S	27.7	Very low	29	Very low	102.4 Å²	102.4	139.4 Å²	139.4	72%	0.716	76%	0.759	S	S	*	*			trans	-81.3	112	157.4	10.5	0	0	0	0	112.4	P2056	P2056-S2058 PolarHBondContact O-N 2.85Å
2059	I	31.1	Very low	29.3	Very low	150.8 Å²	150.8	137.9 Å²	137.9	77%	0.773	76%	0.763	S	S	*	*			trans	-122.8	111.4	163.2	-58.6	176.2	0	0	0	109.4	L2057	L2057-I2059 VanDerWaalsContact C-N 3.33Å; L2057-I2059 PolarHBondContact O-N 3.17Å; L2057-I2059 VanDerWaalsContact O-N 3.11Å
2060	E	28.5	Very low	29.3	Very low	155.2 Å²	155.2	140.9 Å²	140.9	73%	0.725	77%	0.766	S	S	*	*			trans	-81.1	165.4	149.4	-61.9	-174.6	124.9	0	0	111.1	G2062	E2060-G2062 VanDerWaalsContact C-N 3.31Å; E2060-G2062 PolarHBondContact O-N 3.49Å
2061	Q	28.8	Very low	29.6	Very low	185.8 Å²	185.8	139.6 Å²	139.6	87%	0.868	76%	0.76	S	S	*	*			trans	-170	113.6	156.7	-68.7	166.1	11.9	0	0	112.6	K2063	Q2061-K2063 PolarHBondContact O-N 3.42Å
2062	G	28.6	Very low	29.8	Very low	69.8 Å²	69.8	141.3 Å²	141.3	72%	0.72	76%	0.755	S	S	*	*			trans	-127.5	105.6	-163.6	0	0	0	0	0	113.6	E2060 I2064	E2060-G2062 VanDerWaalsContact C-N 3.31Å; E2060-G2062 PolarHBondContact O-N 3.49Å; G2062-I2064 PolarHBondContact O-N 3.09Å
2063	K	27.6	Very low	29.7	Very low	192.8 Å²	192.8	142.6 Å²	142.6	84%	0.838	76%	0.756	S	S	*	*			trans	-16.5	137.2	161.2	-154.3	-175.3	177	-176.4	0	112.9	Q2061 D2065	Q2061-K2063 PolarHBondContact O-N 3.42Å; K2063-D2065 WeakPolarHBondContact CE-OD1 3.4Å
2064	I	33.1	Very low	29.8	Very low	145.2 Å²	145.2	145.3 Å²	145.3	75%	0.745	75%	0.753	S	S	*	*			trans	97.5	122.7	164.4	-36.5	173.2	0	0	0	112.3	G2062	G2062-I2064 PolarHBondContact O-N 3.09Å
2065	D	28.6	Very low	29.7	Very low	136.8 Å²	136.8	140.3 Å²	140.3	73%	0.732	74%	0.744	S	S	*	*			trans	-38	151	134.8	-84.9	-41.2	0	0	0	113.7	K2063	K2063-D2065 WeakPolarHBondContact CE-OD1 3.4Å
2066	E	30.7	Very low	29.4	Very low	171.4 Å²	171.4	137.8 Å²	137.8	80%	0.801	74%	0.738	S	S	*	*			trans	28.4	131	169.3	-61	-179	161	0	0	116.3
2067	T	32.2	Very low	29.3	Very low	123.4 Å²	123.4	138.5 Å²	138.5	76%	0.757	74%	0.741	S	S	*	*				-168.4	139.2	68.1	30.6	0	0	0	0	112.7
2068	I	29.6	Very low	29.2	Very low	151.4 Å²	151.4	136.9 Å²	136.9	78%	0.776	74%	0.737	S	S	*	*			trans	51	133.6	157	-68.5	158.3	0	0	0	114.7
2069	V	33.4	Very low	29.2	Very low	135.8 Å²	135.8	138.8 Å²	138.8	82%	0.823	74%	0.74	S	S	*	*			trans	123	115.3	146.9	177.7	0	0	0	0	115.9
2070	E	28.8	Very low	29.2	Very low	164.8 Å²	164.8	138.6 Å²	138.6	77%	0.77	74%	0.735	S	S	*	*			trans	-79.5	174.3	156.9	-103.4	-170.9	-178.1	0	0	110.8	I2072	E2070-I2072 HydrophobicContact CB-CD1 4.18Å; E2070-I2072 HydrophobicContact CB-CG1 4.24Å; E2070-I2072 HydrophobicContact CG-CD1 4.2Å; E2070-I2072 HydrophobicContact CG-CG1 4.04Å
2071	P	34.7	Very low	29.2	Very low	102 Å²	102	138.7 Å²	138.7	66%	0.662	74%	0.736	S	S	*	*			cis	-138	-171.9	13.1	35	-12.6	0	0	0	116.8
2072	I	28.8	Very low	29.2	Very low	124.4 Å²	124.4	138.4 Å²	138.4	64%	0.638	73%	0.732	S	S	*	*			trans	61.8	117.8	131.5	-40.4	165.5	0	0	0	117.7	E2070 Y2074	E2070-I2072 HydrophobicContact CB-CD1 4.18Å; E2070-I2072 HydrophobicContact CB-CG1 4.24Å; E2070-I2072 HydrophobicContact CG-CD1 4.2Å; E2070-I2072 HydrophobicContact CG-CG1 4.04Å; I2072-Y2074 HydrophobicContact CG2-CD1 4.36Å; I2072-Y2074 HydrophobicContact CG2-CE1 3.88Å; I2072-Y2074 HydrophobicContact CG2-CE2 4.2Å
2073	N	28.5	Very low	29	Very low	120 Å²	120	142.3 Å²	142.3	64%	0.642	74%	0.736	S	S	*	*				92.6	143.5	124.8	-90.6	-11.6	0	0	0	118.4
2074	Y	27.8	Very low	29.2	Very low	179.8 Å²	179.8	137.7 Å²	137.7	71%	0.705	73%	0.725	S	S	*	*			trans	115.9	122.3	-177	-79.3	-61.3	0	0	0	115.8	I2072 L2239	I2072-Y2074 HydrophobicContact CG2-CD1 4.36Å; I2072-Y2074 HydrophobicContact CG2-CE1 3.88Å; I2072-Y2074 HydrophobicContact CG2-CE2 4.2Å; Y2074-L2239 HydrophobicContact CE1-CD1 4.14Å
2075	L	26.1	Very low	29	Very low	137.4 Å²	137.4	138.3 Å²	138.3	72%	0.719	73%	0.728	S	S	*	*				26.3	139	115.5	-142.9	66.2	0	0	0	117.8	T2236	L2075-T2236 HydrophobicContact CD2-CG2 4.02Å
2076	S	25.1	Very low	28.9	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	72%	0.724	S	S	*	*				164.2	136.3	94.7	44	0	0	0	0	114.8
2077	T	26.2	Very low	28.7	Very low	116 Å²	116	134.2 Å²	134.2	71%	0.712	72%	0.719	S	S	*	*				42.9	139.5	119.2	63.9	0	0	0	0	118.1	M2235	T2077-M2235 HydrophobicContact CG2-CE 3.91Å
2078	T	28	Very low	28.4	Very low	117.8 Å²	117.8	135.2 Å²	135.2	72%	0.723	72%	0.717	S	S	*	*				-170.9	149.5	59.4	-37.8	0	0	0	0	111.8	Q2080	T2078-Q2080 HydrophobicContact CG2-CG 3.93Å
2079	D	27.7	Very low	28.3	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	71%	0.713	S	S	*	*			trans	-132	145.1	142.4	-92.4	-46.4	0	0	0	113.8
2080	Q	30.3	Very low	28	Very low	147.2 Å²	147.2	132.7 Å²	132.7	69%	0.688	70%	0.704	S	S	*	*			trans	158.7	117.5	140.7	-72	-159.8	7.6	0	0	115.9	T2078 F2082	T2078-Q2080 HydrophobicContact CG2-CG 3.93Å; Q2080-F2082 HydrophobicContact CB-CD2 4.3Å; Q2080-F2082 HydrophobicContact CB-CE2 4.33Å; Q2080-F2082 HydrophobicContact CG-CD2 4.47Å; Q2080-F2082 HydrophobicContact CG-CE2 4.12Å; Q2080-F2082 VanDerWaalsContact OE1-CE2 3.28Å
2081	Q	29.1	Very low	27.8	Very low	156.4 Å²	156.4	130.8 Å²	130.8	73%	0.731	70%	0.704	S	S	*	*				46.9	129.8	129.2	-65.6	163.6	23.9	0	0	117.1
2082	F	27.6	Very low	27.5	Very low	179.2 Å²	179.2	131.2 Å²	131.2	79%	0.786	71%	0.709	S	S	*	*				109.6	134	87.2	-83.7	-78.8	0	0	0	114.5	Q2080	Q2080-F2082 HydrophobicContact CB-CD2 4.3Å; Q2080-F2082 HydrophobicContact CB-CE2 4.33Å; Q2080-F2082 HydrophobicContact CG-CD2 4.47Å; Q2080-F2082 HydrophobicContact CG-CE2 4.12Å; Q2080-F2082 VanDerWaalsContact OE1-CE2 3.28Å
2083	L	25.2	Very low	27.5	Very low	153.2 Å²	153.2	132 Å²	132	80%	0.802	71%	0.714	S	S	*	*				-67.1	157.2	124.5	-86.7	154.3	0	0	0	113.4
2084	P	32	Very low	27.6	Very low	95.4 Å²	95.4	133.2 Å²	133.2	62%	0.619	72%	0.72	S	S	*	*				-127.3	-175.7	-54.4	34.7	-17.7	0	0	0	115.2	L2038 I2039	L2038-P2084 CarbonylContact O-C 3.25Å; L2038-P2084 VanDerWaalsContact O-C 3.25Å; L2038-P2084 WeakPolarHBondContact O-CB 3.4Å; L2038-P2084 WeakPolarHBondContact O-CD 3.44Å; L2038-P2084 WeakPolarHBondContact O-CG 3.36Å; I2039-P2084 HydrophobicContact CB-CB 4.17Å; I2039-P2084 WeakPolarHBondContact O-CB 3.31Å; I2039-P2084 WeakPolarHBondContact O-CG 3.47Å
2085	I	29.1	Very low	27.6	Very low	158 Å²	158	131.6 Å²	131.6	81%	0.81	72%	0.724	S	S	*	*			trans	125.1	128.9	163.8	-68.7	163.9	0	0	0	113
2086	S	25.3	Very low	27.6	Very low	92.2 Å²	92.2	129.7 Å²	129.7	65%	0.645	72%	0.722	S	S	*	*			cis	-164.4	154	42.4	-83.2	0	0	0	0	113
2087	N	27.3	Very low	27.8	Very low	130 Å²	130	130.8 Å²	130.8	70%	0.695	73%	0.725	S	S	*	*			trans	160.6	143.6	133.6	-87.4	-12.6	0	0	0	115.4	L2112	N2087-L2112 HydrophobicContact CB-CD1 3.78Å
2088	M	26	Very low	28	Very low	145 Å²	145	130.9 Å²	130.9	71%	0.714	73%	0.726	S	S	*	*				-179.9	142.8	126.5	-67.9	-109.5	107.5	0	0	115.3	N2111 L2112	M2088-N2111 HydrophobicContact SD-CB 4.32Å; M2088-L2112 HydrophobicContact CE-CB 4.41Å; M2088-L2112 HydrophobicContact CE-CD1 3.91Å; M2088-L2112 HydrophobicContact CE-CD2 4.25Å; M2088-L2112 HydrophobicContact CE-CG 4.43Å; M2088-L2112 HydrophobicContact CG-CD1 4.17Å; M2088-L2112 HydrophobicContact SD-CD1 3.74Å
2089	L	27.2	Very low	28.1	Very low	130.2 Å²	130.2	130.3 Å²	130.3	68%	0.682	72%	0.724	S	S	*	*			trans	108	116.1	132.6	-113.1	85.6	0	0	0	118.1	N2111	L2089-N2111 HydrophobicContact CD1-CB 3.85Å; L2089-N2111 WeakPolarHBondContact CD2-ND2 3.31Å; L2089-N2111 WeakPolarHBondContact CD2-OD1 3.4Å
2090	T	26.8	Very low	28.2	Very low	103.4 Å²	103.4	130.1 Å²	130.1	63%	0.634	73%	0.727	S	S	*	*				71.6	129.8	116.1	44.5	0	0	0	0	119.7
2091	T	25.9	Very low	28.2	Very low	125.4 Å²	125.4	126.4 Å²	126.4	77%	0.769	72%	0.721	S	S	*	*			trans	46.5	135.7	132.8	60.3	0	0	0	0	119.2
2092	S	28.3	Very low	28.2	Very low	109.2 Å²	109.2	126.1 Å²	126.1	76%	0.764	72%	0.724	S	S	*	*			cis	176.6	156.3	41.4	52.5	0	0	0	0	111.7
2093	N	27	Very low	28.3	Very low	142.2 Å²	142.2	122.2 Å²	122.2	76%	0.76	72%	0.717	S	S	*	*			trans	-170.6	149	150.7	-138.3	-3.4	0	0	0	114.2
2094	L	31.1	Very low	28.5	Very low	146.2 Å²	146.2	121.1 Å²	121.1	77%	0.765	71%	0.712	S	S	*	*			trans	111.2	121.5	154	-71.5	176.4	0	0	0	116.8
2095	N	27.5	Very low	28.4	Very low	145 Å²	145	124.6 Å²	124.6	78%	0.775	72%	0.72	S	S	*	*			trans	52.2	139.1	134.3	-78	-13.9	0	0	0	118.6
2096	S	26.4	Very low	28.4	Very low	97.8 Å²	97.8	123.1 Å²	123.1	68%	0.684	72%	0.718	S	S	*	*			trans	102.5	146.6	148.9	108.2	0	0	0	0	116.7
2097	T	29.4	Very low	28.7	Very low	113.6 Å²	113.6	123.9 Å²	123.9	70%	0.697	72%	0.721	S	S	*	*			trans	94.5	111.8	139.4	50.7	0	0	0	0	117.2
2098	T	30	Very low	28.7	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	73%	0.729	S	S	*	*				104	163	57.6	37.8	0	0	0	0	114.6
2099	P	31.6	Very low	28.7	Very low	105.6 Å²	105.6	122.9 Å²	122.9	69%	0.686	73%	0.725	S	S	*	*			trans	-103.8	162.2	-151.5	34.2	-25.5	0	0	0	114.3	A2101	P2099-A2101 VanDerWaalsContact C-N 3.28Å; P2099-A2101 HydrophobicContact CB-CB 4.27Å; P2099-A2101 HydrophobicContact CG-CB 3.72Å; P2099-A2101 PolarHBondContact O-N 3.47Å
2100	V	29.1	Very low	28.8	Very low	138.2 Å²	138.2	123.3 Å²	123.3	84%	0.838	73%	0.728	S	S	*	*			trans	-128.4	136.1	147.9	173.7	0	0	0	0	108.3	L2102	V2100-L2102 HydrophobicContact CG1-CD1 4.42Å
2101	A	29.6	Very low	28.8	Very low	68.2 Å²	68.2	124.8 Å²	124.8	56%	0.564	73%	0.732	S	S	*	*			trans	-132.4	144.7	-148.5	0	0	0	0	0	114.5	P2099	P2099-A2101 VanDerWaalsContact C-N 3.28Å; P2099-A2101 HydrophobicContact CB-CB 4.27Å; P2099-A2101 HydrophobicContact CG-CB 3.72Å; P2099-A2101 PolarHBondContact O-N 3.47Å
2102	L	28.8	Very low	28.9	Very low	150.8 Å²	150.8	126 Å²	126	79%	0.79	73%	0.733	S	S	*	*			trans	73.1	166.8	154	-93.9	85.6	0	0	0	116.9	V2100 N2104	V2100-L2102 HydrophobicContact CG1-CD1 4.42Å; L2102-N2104 WeakPolarHBondContact CG-OD1 3.49Å
2103	P	31.2	Very low	28.9	Very low	98.6 Å²	98.6	124.4 Å²	124.4	64%	0.64	73%	0.726	S	S	*	*			cis	-134.2	167.9	-31.6	38.7	-21.7	0	0	0	116.6
2104	N	29.3	Very low	28.9	Very low	129.8 Å²	129.8	124.1 Å²	124.1	69%	0.694	73%	0.725	S	S	*	*			trans	83.8	139.1	139.3	-74.8	-10.8	0	0	0	119.8	L2102	L2102-N2104 WeakPolarHBondContact CG-OD1 3.49Å
2105	Q	29.1	Very low	28.8	Very low	167.2 Å²	167.2	123.8 Å²	123.8	78%	0.781	72%	0.724	S	S	*	*			trans	71	136	138.8	-71.2	175.9	-6.8	0	0	116.6
2106	V	29.5	Very low	28.9	Very low	128 Å²	128	124.2 Å²	124.2	78%	0.776	72%	0.724	S	S	*	*				107.5	135.6	85.2	163.3	0	0	0	0	113.2
2107	P	31.1	Very low	29	Very low	108.4 Å²	108.4	126.7 Å²	126.7	70%	0.704	73%	0.727	S	S	*	*				-124.5	166	120.6	38.5	-27	0	0	0	116.5
2108	L	27.6	Very low	28.9	Very low	163.8 Å²	163.8	127.6 Å²	127.6	86%	0.858	73%	0.728	S	S	*	*			trans	106.3	138.1	155.9	-99	120.7	0	0	0	117.6
2109	S	27	Very low	28.8	Very low	90.8 Å²	90.8	129.1 Å²	129.1	64%	0.635	73%	0.731	S	S	*	*			trans	171.6	147.6	162.7	58.7	0	0	0	0	115.9	Q2220	S2109-Q2220 PolarHBondContact OG-OE1 2.78Å
2110	N	27.8	Very low	28.5	Very low	137.4 Å²	137.4	130.1 Å²	130.1	74%	0.735	74%	0.735	S	S	*	*			trans	148.4	132.6	149	-67.4	-12.5	0	0	0	113.7	Q2220	N2110-Q2220 PolarHBondContact OD1-NE2 2.72Å
2111	N	27.7	Very low	28.4	Very low	135.4 Å²	135.4	130.8 Å²	130.8	72%	0.724	73%	0.733	S	S	*	*				-173.4	144.3	102.1	-82.2	-30.2	0	0	0	113.3	M2088 L2089	M2088-N2111 HydrophobicContact SD-CB 4.32Å; L2089-N2111 HydrophobicContact CD1-CB 3.85Å; L2089-N2111 WeakPolarHBondContact CD2-ND2 3.31Å; L2089-N2111 WeakPolarHBondContact CD2-OD1 3.4Å
2112	L	28.5	Very low	28.3	Very low	149.8 Å²	149.8	134.3 Å²	134.3	78%	0.784	74%	0.74	S	S	*	*			trans	104.7	117.3	148.7	-147.7	67.4	0	0	0	114.8	N2087 M2088	N2087-L2112 HydrophobicContact CB-CD1 3.78Å; M2088-L2112 HydrophobicContact CE-CB 4.41Å; M2088-L2112 HydrophobicContact CE-CD1 3.91Å; M2088-L2112 HydrophobicContact CE-CD2 4.25Å; M2088-L2112 HydrophobicContact CE-CG 4.43Å; M2088-L2112 HydrophobicContact CG-CD1 4.17Å; M2088-L2112 HydrophobicContact SD-CD1 3.74Å
2113	A	27.1	Very low	28.2	Very low	75.8 Å²	75.8	133.9 Å²	133.9	63%	0.626	74%	0.739	S	S	*	*				-123.7	173.5	110.5	0	0	0	0	0	113.2
2114	D	28.6	Very low	28	Very low	137.2 Å²	137.2	137.5 Å²	137.5	73%	0.734	75%	0.748	S	S	*	*				115.7	129.7	122.7	-91.1	-24	0	0	0	117.2
2115	N	28.6	Very low	27.8	Very low	138.6 Å²	138.6	137.1 Å²	137.1	74%	0.741	75%	0.752	S	S	*	*			trans	83	138.4	147.4	-74.3	-61.8	0	0	0	119.9
2116	I	29.7	Very low	27.7	Very low	154.8 Å²	154.8	135 Å²	135	79%	0.794	75%	0.751	S	S	*	*			trans	117.9	107.1	141.7	-65.5	168.5	0	0	0	115.3
2117	M	27.6	Very low	27.5	Very low	150 Å²	150	134.5 Å²	134.5	74%	0.739	75%	0.753	S	S	*	*			trans	33.8	119.8	136.5	-129.3	143.6	-113	0	0	118.9
2118	N	26.5	Very low	27.3	Very low	132.2 Å²	132.2	135.8 Å²	135.8	71%	0.707	76%	0.759	S	S	*	*			trans	72.7	130.1	132.2	-64.9	-11.9	0	0	0	119.3
2119	N	27.8	Very low	27.2	Very low	150.6 Å²	150.6	133.1 Å²	133.1	81%	0.805	75%	0.753	S	S	*	*			trans	115.5	129.4	134.4	-72.8	-23.2	0	0	0	116.1
2120	T	26.7	Very low	27.2	Very low	126 Å²	126	136.1 Å²	136.1	77%	0.773	76%	0.761	S	S	*	*			trans	-72.4	146.9	145.3	35.7	0	0	0	0	113.9
2121	I	27.5	Very low	27.2	Very low	153.4 Å²	153.4	137.1 Å²	137.1	79%	0.787	77%	0.767	S	S	*	*			trans	-161.2	122.3	146.1	-69.7	162	0	0	0	112.3
2122	I	27.2	Very low	27.4	Very low	141 Å²	141	139.3 Å²	139.3	72%	0.723	77%	0.773	S	S	*	*			trans	104.3	118.4	136.6	-75.5	170.4	0	0	0	116
2123	N	26.5	Very low	27.5	Very low	143.4 Å²	143.4	141.3 Å²	141.3	77%	0.767	78%	0.778	S	S	*	*			trans	36.7	120.6	149.2	-52.3	-9	0	0	0	120.6
2124	Q	26	Very low	27.7	Very low	173.8 Å²	173.8	144.3 Å²	144.3	81%	0.812	78%	0.782	S	S	*	*				-161.6	139.3	113.8	-113.9	175.3	-2.6	0	0	111.7	T2126	Q2124-T2126 PolarHBondContact O-N 2.89Å
2125	P	25.2	Very low	27.7	Very low	121.6 Å²	121.6	143.1 Å²	143.1	79%	0.79	78%	0.782	S	S	*	*			trans	-85.6	118.2	169.3	33	-30.8	0	0	0	110.9
2126	T	26.9	Very low	27.9	Very low	123.2 Å²	123.2	141.9 Å²	141.9	76%	0.756	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-97.5	123.2	179.1	16.7	0	0	0	0	112	Q2124 V2128	Q2124-T2126 PolarHBondContact O-N 2.89Å; T2126-V2128 PolarHBondContact O-N 3.2Å
2127	S	25.2	Very low	28.1	Very low	116.6 Å²	116.6	138 Å²	138	82%	0.815	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66.6	124.4	166.9	54.5	0	0	0	0	114.6
2128	V	27.2	Very low	28.4	Very low	137.2 Å²	137.2	137.6 Å²	137.6	83%	0.832	76%	0.762	S	S	*	*			trans	-108.1	140.3	159.4	-179.4	0	0	0	0	108.6	T2126 L2130	T2126-V2128 PolarHBondContact O-N 3.2Å; V2128-L2130 HydrophobicContact CG1-CD1 4.31Å; V2128-L2130 HydrophobicContact CG1-CG 4.03Å; V2128-L2130 PolarHBondContact O-N 2.99Å
2129	S	26.1	Very low	28.7	Very low	106.4 Å²	106.4	137.2 Å²	137.2	74%	0.744	76%	0.759	S	S	*	*			trans	-82.3	111.2	-173.4	136.7	0	0	0	0	112.5	N2131	S2129-N2131 VanDerWaalsContact C-N 3.29Å; S2129-N2131 PolarHBondContact O-N 3.13Å
2130	L	26.9	Very low	29.5	Very low	153.4 Å²	153.4	132.9 Å²	132.9	80%	0.803	74%	0.739	S	S	*	*			trans	-76.4	93.3	167.2	-72.3	166.8	0	0	0	110.2	V2128	V2128-L2130 HydrophobicContact CG1-CD1 4.31Å; V2128-L2130 HydrophobicContact CG1-CG 4.03Å; V2128-L2130 PolarHBondContact O-N 2.99Å
2131	N	28	Very low	30.2	Very low	158.4 Å²	158.4	130.4 Å²	130.4	85%	0.847	72%	0.72	S	S	*	*			trans	-156.9	15.4	165.2	-123.6	8.6	0	0	0	114.8	S2129	S2129-N2131 VanDerWaalsContact C-N 3.29Å; S2129-N2131 PolarHBondContact O-N 3.13Å
2132	E	31.3	Very low	31.3	Very low	181 Å²	181	126.9 Å²	126.9	85%	0.846	71%	0.706	S	S	*	*			trans	-106.5	130.6	175.2	-87	-173.3	148.4	0	0	111.3	I2134	E2132-I2134 PolarHBondContact O-N 3.17Å; E2132-I2134 VanDerWaalsContact O-N 3.12Å
2133	Q	29.9	Very low	32.2	Very low	193.4 Å²	193.4	124.5 Å²	124.5	90%	0.904	70%	0.695	S	S	*	*			trans	-84.1	93.7	-176.9	-132.9	177.5	-10.7	0	0	110	P2135	Q2133-P2135 WeakPolarHBondContact O-CD 3.32Å
2134	I	31.2	Very low	33	Very low	138.2 Å²	138.2	120.8 Å²	120.8	71%	0.709	67%	0.674	S	S	*	*			trans	-66.2	122.6	177.2	-58	176.5	0	0	0	109.3	E2132 I2136	E2132-I2134 PolarHBondContact O-N 3.17Å; E2132-I2134 VanDerWaalsContact O-N 3.12Å; I2134-I2136 PolarHBondContact O-N 2.95Å
2135	P	29	Very low	34.2	Very low	112.4 Å²	112.4	115.3 Å²	115.3	73%	0.73	65%	0.65	S	S	*	*			trans	-74	106.9	176.9	29.4	-33	0	0	0	110.2	Q2133 S2137	Q2133-P2135 WeakPolarHBondContact O-CD 3.32Å; P2135-S2137 VanDerWaalsContact C-N 3.34Å; P2135-S2137 PolarHBondContact O-N 3.09Å; P2135-S2137 VanDerWaalsContact O-N 3.1Å
2136	I	32.4	Very low	35.3	Very low	112.4 Å²	112.4	114.4 Å²	114.4	58%	0.576	64%	0.639	S	S	*	*			trans	-71.4	102.7	178.1	-55.5	176.8	0	0	0	108.9	I2134 T2140 M2167	I2134-I2136 PolarHBondContact O-N 2.95Å; I2136-T2140 WeakPolarHBondContact CG2-OG1 3.48Å; I2136-M2167 HydrophobicContact CD1-CE 4.3Å; I2136-M2167 HydrophobicContact CD1-SD 3.95Å; I2136-M2167 HydrophobicContact CG2-SD 4.44Å
2137	S	33.8	Very low	36.2	Very low	72.4 Å²	72.4	112.2 Å²	112.2	51%	0.506	62%	0.622	S	S	.	*			trans	-95.1	147.9	167.9	62.9	0	0	0	0	109.9	P2135 N2139 T2140	P2135-S2137 VanDerWaalsContact C-N 3.34Å; P2135-S2137 PolarHBondContact O-N 3.09Å; P2135-S2137 VanDerWaalsContact O-N 3.1Å; S2137-N2139 PolarHBondContact O-N 3.2Å; S2137-T2140 PolarHBondContact N-OG1 2.96Å; S2137-T2140 WeakPolarHBondContact O-CB 3.33Å; S2137-T2140 PolarHBondContact O-N 3.09Å; S2137-T2140 PolarHBondContact O-OG1 3.27Å
2138	N	34.1	Very low	37.4	Very low	142.8 Å²	142.8	110.8 Å²	110.8	76%	0.764	61%	0.61	S	S	*	*	H	α-helix	trans	-52.3	5.6	-171.2	-63.6	-2.7	0	0	0	114.8	S2196	N2138-S2196 PolarHBondContact ND2-OG 3.43Å
2139	N	33.1	Very low	38.5	Very low	123.2 Å²	123.2	109.8 Å²	109.8	66%	0.659	60%	0.6	S	S	*	*	H	α-helix	trans	-87.6	-58.3	173.6	-65.7	-12	0	0	0	111	S2137 L2141 V2142	S2137-N2139 PolarHBondContact O-N 3.2Å; N2139-L2141 VanDerWaalsContact C-N 3.25Å; N2139-L2141 PolarHBondContact O-N 3.18Å; N2139-V2142 PolarHBondContact O-N 2.94Å
2140	T	45.1	Very low	39.9	Very low	61.4 Å²	61.4	107.2 Å²	107.2	38%	0.377	58%	0.576	S	S	.	*	H	α-helix	trans	-65.8	-1.7	-169.8	39.7	0	0	0	0	113.6	I2136 S2137 V2142 D2143 L2144	I2136-T2140 WeakPolarHBondContact CG2-OG1 3.48Å; S2137-T2140 PolarHBondContact N-OG1 2.96Å; S2137-T2140 WeakPolarHBondContact O-CB 3.33Å; S2137-T2140 PolarHBondContact O-N 3.09Å; S2137-T2140 PolarHBondContact O-OG1 3.27Å; T2140-V2142 VanDerWaalsContact C-N 3.31Å; T2140-V2142 PolarHBondContact O-N 3.01Å; T2140-D2143 VanDerWaalsContact CB-OD2 3.29Å; T2140-D2143 WeakPolarHBondContact CB-OD2 3.35Å; T2140-D2143 PolarHBondContact N-OD2 3.08Å; T2140-D2143 WeakPolarHBondContact O-CB 3.33Å; T2140-D2143 PolarHBondContact O-N 3.12Å; T2140-D2143 VanDerWaalsContact O-N 3.14Å; T2140-D2143 PolarHBondContact OG1-OD2 3.16Å; T2140-L2144 WeakPolarHBondContact O-CB 3.47Å; T2140-L2144 WeakPolarHBondContact O-CD1 3.31Å; T2140-L2144 VanDerWaalsContact O-CG 3.23Å; T2140-L2144 WeakPolarHBondContact O-CG 3.36Å; T2140-L2144 PolarHBondContact O-N 2.92Å
2141	L	41.7	Very low	41.2	Very low	73.2 Å²	73.2	102.1 Å²	102.1	38%	0.383	55%	0.549	S	S	.	.	H	α-helix	trans	-58.7	-34.9	177.2	-144.3	154.2	0	0	0	111.9	N2139 D2143 L2144 I2145 M2167 I2188	N2139-L2141 VanDerWaalsContact C-N 3.25Å; N2139-L2141 PolarHBondContact O-N 3.18Å; L2141-D2143 VanDerWaalsContact C-N 3.29Å; L2141-D2143 PolarHBondContact O-N 3.18Å; L2141-L2144 PolarHBondContact O-N 3.06Å; L2141-I2145 HydrophobicContact CD2-CD1 3.81Å; L2141-I2145 VanDerWaalsContact CD2-CD1 3.46Å; L2141-I2145 HydrophobicContact CD2-CG1 4.07Å; L2141-I2145 HydrophobicContact CG-CD1 3.92Å; L2141-I2145 VanDerWaalsContact O-CD1 3.25Å; L2141-I2145 WeakPolarHBondContact O-CD1 3.44Å; L2141-I2145 VanDerWaalsContact O-CG1 3.29Å; L2141-I2145 WeakPolarHBondContact O-CG1 3.38Å; L2141-I2145 PolarHBondContact O-N 3.08Å; L2141-I2145 VanDerWaalsContact O-N 3.11Å; L2141-M2167 HydrophobicContact CD1-CE 4.27Å; L2141-I2188 HydrophobicContact CD1-CD1 4.25Å; L2141-I2188 HydrophobicContact CD1-CG2 4.49Å
2142	V	50	Low	42.5	Very low	79.4 Å²	79.4	100.6 Å²	100.6	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-63.5	-41.2	175.2	179.9	0	0	0	0	111.7	N2139 T2140 L2144 I2145 N2146	N2139-V2142 PolarHBondContact O-N 2.94Å; T2140-V2142 VanDerWaalsContact C-N 3.31Å; T2140-V2142 PolarHBondContact O-N 3.01Å; V2142-L2144 VanDerWaalsContact C-N 3.34Å; V2142-L2144 PolarHBondContact O-N 3.21Å; V2142-I2145 PolarHBondContact O-N 3.07Å; V2142-N2146 WeakPolarHBondContact CG1-ND2 3.41Å; V2142-N2146 WeakPolarHBondContact O-CB 3.47Å; V2142-N2146 PolarHBondContact O-N 3.09Å; V2142-N2146 VanDerWaalsContact O-N 3.11Å; V2142-N2146 PolarHBondContact O-ND2 3.17Å; V2142-N2146 VanDerWaalsContact O-ND2 3.14Å
2143	D	45.7	Very low	43.5	Very low	91.4 Å²	91.4	94.1 Å²	94.1	49%	0.489	51%	0.514	S	S	.	.	H	α-helix	trans	-72.5	-29.6	-179.5	-61.1	-42.5	0	0	0	112.6	T2140 L2141 N2146 N2147	T2140-D2143 VanDerWaalsContact CB-OD2 3.29Å; T2140-D2143 WeakPolarHBondContact CB-OD2 3.35Å; T2140-D2143 PolarHBondContact N-OD2 3.08Å; T2140-D2143 WeakPolarHBondContact O-CB 3.33Å; T2140-D2143 PolarHBondContact O-N 3.12Å; T2140-D2143 VanDerWaalsContact O-N 3.14Å; T2140-D2143 PolarHBondContact OG1-OD2 3.16Å; L2141-D2143 VanDerWaalsContact C-N 3.29Å; L2141-D2143 PolarHBondContact O-N 3.18Å; D2143-N2146 PolarHBondContact O-N 3.04Å; D2143-N2147 PolarHBondContact O-N 3.29Å; D2143-N2147 PolarHBondContact O-ND2 2.99Å
2144	L	44.4	Very low	44.4	Very low	64.2 Å²	64.2	86 Å²	86	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-40.7	170.3	-81.8	130.3	0	0	0	111.8	T2140 L2141 V2142 N2146 N2147 F2150	T2140-L2144 WeakPolarHBondContact O-CB 3.47Å; T2140-L2144 WeakPolarHBondContact O-CD1 3.31Å; T2140-L2144 VanDerWaalsContact O-CG 3.23Å; T2140-L2144 WeakPolarHBondContact O-CG 3.36Å; T2140-L2144 PolarHBondContact O-N 2.92Å; L2141-L2144 PolarHBondContact O-N 3.06Å; V2142-L2144 VanDerWaalsContact C-N 3.34Å; V2142-L2144 PolarHBondContact O-N 3.21Å; L2144-N2146 VanDerWaalsContact C-N 3.31Å; L2144-N2146 PolarHBondContact O-N 3Å; L2144-N2147 PolarHBondContact O-N 3.22Å; L2144-N2147 VanDerWaalsContact O-N 3.12Å; L2144-F2150 HydrophobicContact CB-CD1 4.12Å; L2144-F2150 HydrophobicContact CB-CD2 4.29Å; L2144-F2150 HydrophobicContact CB-CE1 4.08Å; L2144-F2150 HydrophobicContact CB-CE2 4.41Å; L2144-F2150 HydrophobicContact CB-CG 4.01Å; L2144-F2150 HydrophobicContact CB-CZ 4.24Å; L2144-F2150 HydrophobicContact CD2-CD1 4.01Å; L2144-F2150 HydrophobicContact CD2-CD2 4.14Å; L2144-F2150 HydrophobicContact CD2-CE1 4.07Å; L2144-F2150 HydrophobicContact CD2-CE2 4.11Å; L2144-F2150 HydrophobicContact CD2-CG 4.07Å; L2144-F2150 HydrophobicContact CD2-CZ 4.11Å; L2144-F2150 HydrophobicContact CG-CD2 4.13Å; L2144-F2150 HydrophobicContact CG-CE2 4.3Å; L2144-F2150 HydrophobicContact CG-CG 4.27Å; L2144-F2150 VanDerWaalsContact O-CB 3.23Å; L2144-F2150 WeakPolarHBondContact O-CB 3.36Å; L2144-F2150 VanDerWaalsContact O-CD1 3.29Å; L2144-F2150 WeakPolarHBondContact O-CD1 3.31Å; L2144-F2150 WeakPolarHBondContact O-CG 3.36Å
2145	I	51.7	Low	45.5	Very low	58.8 Å²	58.8	84.1 Å²	84.1	30%	0.302	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-33.1	177.5	-70	164.1	0	0	0	111.8	L2141 V2142 N2147 L2181 A2185 A2189	L2141-I2145 HydrophobicContact CD2-CD1 3.81Å; L2141-I2145 VanDerWaalsContact CD2-CD1 3.46Å; L2141-I2145 HydrophobicContact CD2-CG1 4.07Å; L2141-I2145 HydrophobicContact CG-CD1 3.92Å; L2141-I2145 VanDerWaalsContact O-CD1 3.25Å; L2141-I2145 WeakPolarHBondContact O-CD1 3.44Å; L2141-I2145 VanDerWaalsContact O-CG1 3.29Å; L2141-I2145 WeakPolarHBondContact O-CG1 3.38Å; L2141-I2145 PolarHBondContact O-N 3.08Å; L2141-I2145 VanDerWaalsContact O-N 3.11Å; V2142-I2145 PolarHBondContact O-N 3.07Å; I2145-N2147 VanDerWaalsContact C-N 3.26Å; I2145-N2147 PolarHBondContact O-N 3.09Å; I2145-L2181 HydrophobicContact CB-CD2 4.33Å; I2145-L2181 HydrophobicContact CG1-CD2 4.24Å; I2145-L2181 HydrophobicContact CG1-CG 4.14Å; I2145-L2181 HydrophobicContact CG2-CD2 4.26Å; I2145-L2181 HydrophobicContact CG2-CG 4.42Å; I2145-A2185 HydrophobicContact CD1-CB 3.53Å; I2145-A2185 HydrophobicContact CG1-CB 4.38Å; I2145-A2185 HydrophobicContact CG2-CB 3.92Å; I2145-A2189 HydrophobicContact CD1-CB 3.74Å
2146	N	46.5	Very low	46.6	Very low	104 Å²	104	87.8 Å²	87.8	56%	0.556	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.2	178.5	-74.3	-37	0	0	0	114.3	V2142 D2143 L2144 P2148	V2142-N2146 WeakPolarHBondContact CG1-ND2 3.41Å; V2142-N2146 WeakPolarHBondContact O-CB 3.47Å; V2142-N2146 PolarHBondContact O-N 3.09Å; V2142-N2146 VanDerWaalsContact O-N 3.11Å; V2142-N2146 PolarHBondContact O-ND2 3.17Å; V2142-N2146 VanDerWaalsContact O-ND2 3.14Å; D2143-N2146 PolarHBondContact O-N 3.04Å; L2144-N2146 VanDerWaalsContact C-N 3.31Å; L2144-N2146 PolarHBondContact O-N 3Å; N2146-P2148 WeakPolarHBondContact O-CD 3.24Å
2147	N	46.1	Very low	47.4	Very low	76 Å²	76	85 Å²	85	41%	0.406	46%	0.458	S	S	.	.			trans	-101	111.3	-175.8	-152.2	-26	0	0	0	111.5	D2143 L2144 I2145 D2149 F2150 I2151	D2143-N2147 PolarHBondContact O-N 3.29Å; D2143-N2147 PolarHBondContact O-ND2 2.99Å; L2144-N2147 PolarHBondContact O-N 3.22Å; L2144-N2147 VanDerWaalsContact O-N 3.12Å; I2145-N2147 VanDerWaalsContact C-N 3.26Å; I2145-N2147 PolarHBondContact O-N 3.09Å; N2147-D2149 VanDerWaalsContact C-N 3.27Å; N2147-D2149 PolarHBondContact O-N 3.08Å; N2147-D2149 WeakPolarHBondContact OD1-CB 3.37Å; N2147-D2149 PolarHBondContact OD1-N 3.43Å; N2147-F2150 HydrophobicContact CB-CB 4.22Å; N2147-F2150 WeakPolarHBondContact O-CB 3.3Å; N2147-F2150 PolarHBondContact O-N 3.13Å; N2147-F2150 VanDerWaalsContact O-N 3.11Å; N2147-I2151 PolarHBondContact O-N 3.3Å; N2147-I2151 VanDerWaalsContact O-N 3.16Å
2148	P	51.2	Low	48.5	Very low	87.6 Å²	87.6	85.7 Å²	85.7	57%	0.569	46%	0.461	S	S	*	.	H	α-helix	trans	-62.9	-30.4	-175.6	26	-34.9	0	0	0	113.2	N2146 F2150 I2151 Q2152	N2146-P2148 WeakPolarHBondContact O-CD 3.24Å; P2148-F2150 VanDerWaalsContact C-N 3.28Å; P2148-F2150 PolarHBondContact O-N 2.95Å; P2148-I2151 WeakPolarHBondContact O-CB 3.45Å; P2148-I2151 PolarHBondContact O-N 3.07Å; P2148-I2151 VanDerWaalsContact O-N 3.13Å; P2148-Q2152 WeakPolarHBondContact O-CB 3.44Å; P2148-Q2152 PolarHBondContact O-N 3.1Å
2149	D	50.9	Low	49.6	Very low	114.8 Å²	114.8	85.3 Å²	85.3	61%	0.614	46%	0.455	S	S	*	.	H	α-helix	trans	-67.3	-28.2	178.1	-60.2	-18.4	0	0	0	111.6	N2147 I2151 Q2152 A2153	N2147-D2149 VanDerWaalsContact C-N 3.27Å; N2147-D2149 PolarHBondContact O-N 3.08Å; N2147-D2149 WeakPolarHBondContact OD1-CB 3.37Å; N2147-D2149 PolarHBondContact OD1-N 3.43Å; D2149-I2151 VanDerWaalsContact C-N 3.33Å; D2149-I2151 PolarHBondContact O-N 3.3Å; D2149-Q2152 PolarHBondContact O-N 3.02Å; D2149-A2153 WeakPolarHBondContact O-CB 3.24Å; D2149-A2153 PolarHBondContact O-N 2.9Å
2150	F	53.8	Low	50.8	Low	53.8 Å²	53.8	81.5 Å²	81.5	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-71.9	-34.2	175	-163.4	-106.8	0	0	0	112.1	L2144 N2147 P2148 Q2152 A2153 L2154 L2160 I2164 L2181	L2144-F2150 HydrophobicContact CB-CD1 4.12Å; L2144-F2150 HydrophobicContact CB-CD2 4.29Å; L2144-F2150 HydrophobicContact CB-CE1 4.08Å; L2144-F2150 HydrophobicContact CB-CE2 4.41Å; L2144-F2150 HydrophobicContact CB-CG 4.01Å; L2144-F2150 HydrophobicContact CB-CZ 4.24Å; L2144-F2150 HydrophobicContact CD2-CD1 4.01Å; L2144-F2150 HydrophobicContact CD2-CD2 4.14Å; L2144-F2150 HydrophobicContact CD2-CE1 4.07Å; L2144-F2150 HydrophobicContact CD2-CE2 4.11Å; L2144-F2150 HydrophobicContact CD2-CG 4.07Å; L2144-F2150 HydrophobicContact CD2-CZ 4.11Å; L2144-F2150 HydrophobicContact CG-CD2 4.13Å; L2144-F2150 HydrophobicContact CG-CE2 4.3Å; L2144-F2150 HydrophobicContact CG-CG 4.27Å; L2144-F2150 VanDerWaalsContact O-CB 3.23Å; L2144-F2150 WeakPolarHBondContact O-CB 3.36Å; L2144-F2150 VanDerWaalsContact O-CD1 3.29Å; L2144-F2150 WeakPolarHBondContact O-CD1 3.31Å; L2144-F2150 WeakPolarHBondContact O-CG 3.36Å; N2147-F2150 HydrophobicContact CB-CB 4.22Å; N2147-F2150 WeakPolarHBondContact O-CB 3.3Å; N2147-F2150 PolarHBondContact O-N 3.13Å; N2147-F2150 VanDerWaalsContact O-N 3.11Å; P2148-F2150 VanDerWaalsContact C-N 3.28Å; P2148-F2150 PolarHBondContact O-N 2.95Å; F2150-Q2152 VanDerWaalsContact C-N 3.29Å; F2150-Q2152 PolarHBondContact O-N 3.26Å; F2150-A2153 HydrophobicContact CD2-CB 4.5Å; F2150-A2153 PolarHBondContact O-N 3.25Å; F2150-L2154 HydrophobicContact CD1-CD1 3.86Å; F2150-L2154 HydrophobicContact CD1-CG 4.33Å; F2150-L2154 HydrophobicContact CD2-CG 4.17Å; F2150-L2154 HydrophobicContact CE1-CD1 3.64Å; F2150-L2154 HydrophobicContact CE1-CD2 4.09Å; F2150-L2154 HydrophobicContact CE1-CG 4.13Å; F2150-L2154 HydrophobicContact CE2-CD1 4.2Å; F2150-L2154 HydrophobicContact CE2-CD2 3.94Å; F2150-L2154 HydrophobicContact CE2-CG 3.79Å; F2150-L2154 HydrophobicContact CG-CD1 4.44Å; F2150-L2154 HydrophobicContact CG-CG 4.47Å; F2150-L2154 HydrophobicContact CZ-CD1 4.21Å; F2150-L2154 HydrophobicContact CZ-CD2 3.96Å; F2150-L2154 HydrophobicContact CZ-CG 4.11Å; F2150-L2154 WeakPolarHBondContact O-CB 3.34Å; F2150-L2154 WeakPolarHBondContact O-CG 3.37Å; F2150-L2154 PolarHBondContact O-N 3.16Å; F2150-L2160 HydrophobicContact CE2-CD1 4.02Å; F2150-L2160 HydrophobicContact CE2-CD2 4.48Å; F2150-L2160 HydrophobicContact CZ-CD1 3.95Å; F2150-I2164 HydrophobicContact CE1-CD1 4.07Å; F2150-I2164 HydrophobicContact CZ-CD1 4.14Å; F2150-L2181 HydrophobicContact CD1-CD2 4.09Å; F2150-L2181 HydrophobicContact CE1-CD1 4.34Å; F2150-L2181 HydrophobicContact CE1-CD2 4.3Å
2151	I	54.6	Low	51.4	Low	44.8 Å²	44.8	80.7 Å²	80.7	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-64.6	-38.4	172.3	-57.4	-137.1	0	0	0	110.4	N2147 P2148 D2149 L2154 T2155 Q2178 L2181 T2191	N2147-I2151 PolarHBondContact O-N 3.3Å; N2147-I2151 VanDerWaalsContact O-N 3.16Å; P2148-I2151 WeakPolarHBondContact O-CB 3.45Å; P2148-I2151 PolarHBondContact O-N 3.07Å; P2148-I2151 VanDerWaalsContact O-N 3.13Å; D2149-I2151 VanDerWaalsContact C-N 3.33Å; D2149-I2151 PolarHBondContact O-N 3.3Å; I2151-L2154 PolarHBondContact O-N 2.88Å; I2151-T2155 PolarHBondContact O-N 3.12Å; I2151-T2155 VanDerWaalsContact O-N 3.1Å; I2151-T2155 PolarHBondContact O-OG1 3.27Å; I2151-T2155 VanDerWaalsContact O-OG1 3.05Å; I2151-Q2178 HydrophobicContact CD1-CG 3.73Å; I2151-L2181 HydrophobicContact CD1-CD2 3.9Å; I2151-L2181 HydrophobicContact CG1-CD2 3.98Å; I2151-L2181 HydrophobicContact CG2-CD2 3.91Å; I2151-L2181 HydrophobicContact CG2-CG 4.38Å; I2151-T2191 HydrophobicContact CG2-CG2 4.36Å
2152	Q	55.7	Low	52	Low	127.8 Å²	127.8	82.4 Å²	82.4	60%	0.597	44%	0.436	S	S	*	.	H	α-helix	trans	-67.4	-41.3	172.8	-129.5	173.8	34.6	0	0	111.8	P2148 D2149 F2150 L2154 T2155 Y2156	P2148-Q2152 WeakPolarHBondContact O-CB 3.44Å; P2148-Q2152 PolarHBondContact O-N 3.1Å; D2149-Q2152 PolarHBondContact O-N 3.02Å; F2150-Q2152 VanDerWaalsContact C-N 3.29Å; F2150-Q2152 PolarHBondContact O-N 3.26Å; Q2152-L2154 VanDerWaalsContact C-N 3.31Å; Q2152-L2154 PolarHBondContact O-N 3.03Å; Q2152-T2155 WeakPolarHBondContact CA-OG1 3.29Å; Q2152-T2155 WeakPolarHBondContact O-CA 3.29Å; Q2152-T2155 WeakPolarHBondContact O-CB 3.41Å; Q2152-T2155 PolarHBondContact O-N 3.02Å; Q2152-T2155 VanDerWaalsContact O-N 3.16Å; Q2152-T2155 PolarHBondContact O-OG1 3.17Å; Q2152-Y2156 HydrophobicContact CG-CD2 4.33Å; Q2152-Y2156 HydrophobicContact CG-CE2 4.27Å; Q2152-Y2156 VanDerWaalsContact O-CD2 3.27Å; Q2152-Y2156 WeakPolarHBondContact O-CD2 3.38Å; Q2152-Y2156 PolarHBondContact O-N 2.86Å
2153	A	51.3	Low	52.2	Low	44 Å²	44	83.5 Å²	83.5	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-61.9	-40	175.6	0	0	0	0	0	113	D2149 F2150 T2155 Y2156 N2157 L2160	D2149-A2153 WeakPolarHBondContact O-CB 3.24Å; D2149-A2153 PolarHBondContact O-N 2.9Å; F2150-A2153 HydrophobicContact CD2-CB 4.5Å; F2150-A2153 PolarHBondContact O-N 3.25Å; A2153-T2155 VanDerWaalsContact C-N 3.28Å; A2153-T2155 PolarHBondContact O-N 2.89Å; A2153-Y2156 CarbonylContact O-C 3.53Å; A2153-Y2156 PolarHBondContact O-N 3.12Å; A2153-Y2156 VanDerWaalsContact O-N 3.09Å; A2153-N2157 PolarHBondContact O-N 3.12Å; A2153-N2157 VanDerWaalsContact O-N 3.16Å; A2153-L2160 HydrophobicContact CB-CD1 4.18Å
2154	L	49.3	Very low	52.7	Low	23.6 Å²	23.6	80.8 Å²	80.8	12%	0.124	42%	0.422	C	S	.	.	H	α-helix	trans	-61	-32.7	174.1	-77.2	169	0	0	0	112.8	F2150 I2151 Q2152 Y2156 L2160 I2161 I2164 L2176 L2181	F2150-L2154 HydrophobicContact CD1-CD1 3.86Å; F2150-L2154 HydrophobicContact CD1-CG 4.33Å; F2150-L2154 HydrophobicContact CD2-CG 4.17Å; F2150-L2154 HydrophobicContact CE1-CD1 3.64Å; F2150-L2154 HydrophobicContact CE1-CD2 4.09Å; F2150-L2154 HydrophobicContact CE1-CG 4.13Å; F2150-L2154 HydrophobicContact CE2-CD1 4.2Å; F2150-L2154 HydrophobicContact CE2-CD2 3.94Å; F2150-L2154 HydrophobicContact CE2-CG 3.79Å; F2150-L2154 HydrophobicContact CG-CD1 4.44Å; F2150-L2154 HydrophobicContact CG-CG 4.47Å; F2150-L2154 HydrophobicContact CZ-CD1 4.21Å; F2150-L2154 HydrophobicContact CZ-CD2 3.96Å; F2150-L2154 HydrophobicContact CZ-CG 4.11Å; F2150-L2154 WeakPolarHBondContact O-CB 3.34Å; F2150-L2154 WeakPolarHBondContact O-CG 3.37Å; F2150-L2154 PolarHBondContact O-N 3.16Å; I2151-L2154 PolarHBondContact O-N 2.88Å; Q2152-L2154 VanDerWaalsContact C-N 3.31Å; Q2152-L2154 PolarHBondContact O-N 3.03Å; L2154-Y2156 PolarHBondContact O-N 3.2Å; L2154-Y2156 VanDerWaalsContact O-N 3.14Å; L2154-L2160 HydrophobicContact CD2-CB 3.74Å; L2154-L2160 HydrophobicContact CD2-CD1 3.99Å; L2154-L2160 HydrophobicContact CD2-CD2 4.46Å; L2154-L2160 HydrophobicContact CD2-CG 4.42Å; L2154-I2161 HydrophobicContact CD2-CG1 4.2Å; L2154-I2164 HydrophobicContact CD1-CD1 4.15Å; L2154-I2164 HydrophobicContact CD2-CD1 3.83Å; L2154-I2164 HydrophobicContact CG-CD1 4.43Å; L2154-L2176 HydrophobicContact CB-CD2 3.65Å; L2154-L2176 VanDerWaalsContact CB-CD2 3.46Å; L2154-L2176 HydrophobicContact CD1-CD1 4.15Å; L2154-L2176 HydrophobicContact CD1-CD2 4.11Å; L2154-L2176 HydrophobicContact CG-CD2 4.25Å; L2154-L2181 HydrophobicContact CD1-CD1 3.9Å; L2154-L2181 HydrophobicContact CD1-CD2 4.13Å
2155	T	55.8	Low	52.9	Low	97.4 Å²	97.4	80.3 Å²	80.3	60%	0.598	42%	0.419	S	S	*	.	H	α-helix	trans	-67.4	-22.8	176.3	-44.8	0	0	0	0	112.7	I2151 Q2152 A2153	I2151-T2155 PolarHBondContact O-N 3.12Å; I2151-T2155 VanDerWaalsContact O-N 3.1Å; I2151-T2155 PolarHBondContact O-OG1 3.27Å; I2151-T2155 VanDerWaalsContact O-OG1 3.05Å; Q2152-T2155 WeakPolarHBondContact CA-OG1 3.29Å; Q2152-T2155 WeakPolarHBondContact O-CA 3.29Å; Q2152-T2155 WeakPolarHBondContact O-CB 3.41Å; Q2152-T2155 PolarHBondContact O-N 3.02Å; Q2152-T2155 VanDerWaalsContact O-N 3.16Å; Q2152-T2155 PolarHBondContact O-OG1 3.17Å; A2153-T2155 VanDerWaalsContact C-N 3.28Å; A2153-T2155 PolarHBondContact O-N 2.89Å
2156	Y	51.1	Low	52.8	Low	191.6 Å²	191.6	81.7 Å²	81.7	75%	0.751	43%	0.434	S	S	*	.	H	α-helix	trans	-106.4	-10.6	-176.6	-77.4	-75	0	0	0	115.2	Q2152 A2153 L2154	Q2152-Y2156 HydrophobicContact CG-CD2 4.33Å; Q2152-Y2156 HydrophobicContact CG-CE2 4.27Å; Q2152-Y2156 VanDerWaalsContact O-CD2 3.27Å; Q2152-Y2156 WeakPolarHBondContact O-CD2 3.38Å; Q2152-Y2156 PolarHBondContact O-N 2.86Å; A2153-Y2156 CarbonylContact O-C 3.53Å; A2153-Y2156 PolarHBondContact O-N 3.12Å; A2153-Y2156 VanDerWaalsContact O-N 3.09Å; L2154-Y2156 PolarHBondContact O-N 3.2Å; L2154-Y2156 VanDerWaalsContact O-N 3.14Å
2157	N	50.2	Low	52.7	Low	52.8 Å²	52.8	81.4 Å²	81.4	28%	0.282	43%	0.431	S	S	.	.			trans	-126	102	-176.3	-169.5	-4.8	0	0	0	113.4	A2153 E2159 L2160 I2161	A2153-N2157 PolarHBondContact O-N 3.12Å; A2153-N2157 VanDerWaalsContact O-N 3.16Å; N2157-E2159 VanDerWaalsContact C-N 3.31Å; N2157-E2159 PolarHBondContact O-N 3.16Å; N2157-E2159 WeakPolarHBondContact OD1-CB 3.45Å; N2157-E2159 PolarHBondContact OD1-N 3.16Å; N2157-E2159 VanDerWaalsContact OD1-N 3.14Å; N2157-L2160 HydrophobicContact CB-CB 4.49Å; N2157-L2160 HydrophobicContact CB-CD1 4.18Å; N2157-L2160 HydrophobicContact CB-CG 4.3Å; N2157-L2160 WeakPolarHBondContact O-CB 3.33Å; N2157-L2160 PolarHBondContact O-N 3.08Å; N2157-L2160 VanDerWaalsContact O-N 3.17Å; N2157-I2161 PolarHBondContact O-N 3.38Å
2158	P	55.1	Low	52.3	Low	87.2 Å²	87.2	83.1 Å²	83.1	57%	0.566	45%	0.447	S	S	*	.	H	α-helix	trans	-69.9	-17.9	-177.1	28.9	-35.2	0	0	0	114.4	L2160 I2161 N2162	P2158-L2160 VanDerWaalsContact C-N 3.31Å; P2158-I2161 WeakPolarHBondContact O-CB 3.35Å; P2158-I2161 PolarHBondContact O-N 3.09Å; P2158-N2162 VanDerWaalsContact O-CG 3.29Å; P2158-N2162 PolarHBondContact O-N 3.05Å; P2158-N2162 PolarHBondContact O-ND2 3.03Å
2159	E	57.7	Low	51.9	Low	134.2 Å²	134.2	82.7 Å²	82.7	63%	0.627	44%	0.44	S	S	*	.	H	α-helix	trans	-69.1	-34	175	-67.8	-160.2	140.2	0	0	112.3	N2157 I2161 N2162 Q2163	N2157-E2159 VanDerWaalsContact C-N 3.31Å; N2157-E2159 PolarHBondContact O-N 3.16Å; N2157-E2159 WeakPolarHBondContact OD1-CB 3.45Å; N2157-E2159 PolarHBondContact OD1-N 3.16Å; N2157-E2159 VanDerWaalsContact OD1-N 3.14Å; E2159-I2161 VanDerWaalsContact C-N 3.34Å; E2159-I2161 PolarHBondContact O-N 3.06Å; E2159-N2162 WeakPolarHBondContact O-CB 3.39Å; E2159-N2162 PolarHBondContact O-N 3.24Å; E2159-Q2163 WeakPolarHBondContact O-CG 3.44Å; E2159-Q2163 PolarHBondContact O-N 3.08Å; E2159-Q2163 VanDerWaalsContact O-N 3.09Å
2160	L	58.9	Low	51.4	Low	43.8 Å²	43.8	84.1 Å²	84.1	23%	0.229	45%	0.447	C	S	.	.	H	α-helix	trans	-67.8	-34.6	175.4	-78.1	171.4	0	0	0	111.6	F2150 A2153 L2154 N2157 P2158 N2162 Q2163 I2164	F2150-L2160 HydrophobicContact CE2-CD1 4.02Å; F2150-L2160 HydrophobicContact CE2-CD2 4.48Å; F2150-L2160 HydrophobicContact CZ-CD1 3.95Å; A2153-L2160 HydrophobicContact CB-CD1 4.18Å; L2154-L2160 HydrophobicContact CD2-CB 3.74Å; L2154-L2160 HydrophobicContact CD2-CD1 3.99Å; L2154-L2160 HydrophobicContact CD2-CD2 4.46Å; L2154-L2160 HydrophobicContact CD2-CG 4.42Å; N2157-L2160 HydrophobicContact CB-CB 4.49Å; N2157-L2160 HydrophobicContact CB-CD1 4.18Å; N2157-L2160 HydrophobicContact CB-CG 4.3Å; N2157-L2160 WeakPolarHBondContact O-CB 3.33Å; N2157-L2160 PolarHBondContact O-N 3.08Å; N2157-L2160 VanDerWaalsContact O-N 3.17Å; P2158-L2160 VanDerWaalsContact C-N 3.31Å; L2160-N2162 VanDerWaalsContact C-N 3.33Å; L2160-N2162 PolarHBondContact O-N 3.27Å; L2160-Q2163 PolarHBondContact O-N 3.23Å; L2160-I2164 WeakPolarHBondContact O-CG1 3.31Å; L2160-I2164 PolarHBondContact O-N 3.2Å
2161	I	57.5	Low	51.1	Low	45.2 Å²	45.2	84.4 Å²	84.4	23%	0.232	45%	0.451	C	S	.	.	H	α-helix	trans	-63.7	-43.2	172.5	-59.6	178	0	0	0	110.1	L2154 N2157 P2158 E2159 Q2163 I2164 N2165 P2173	L2154-I2161 HydrophobicContact CD2-CG1 4.2Å; N2157-I2161 PolarHBondContact O-N 3.38Å; P2158-I2161 WeakPolarHBondContact O-CB 3.35Å; P2158-I2161 PolarHBondContact O-N 3.09Å; E2159-I2161 VanDerWaalsContact C-N 3.34Å; E2159-I2161 PolarHBondContact O-N 3.06Å; I2161-Q2163 VanDerWaalsContact C-N 3.3Å; I2161-Q2163 PolarHBondContact O-N 3.06Å; I2161-I2164 PolarHBondContact O-N 3.01Å; I2161-I2164 VanDerWaalsContact O-N 3.12Å; I2161-N2165 WeakPolarHBondContact O-CB 3.34Å; I2161-N2165 VanDerWaalsContact O-CG 3.25Å; I2161-N2165 PolarHBondContact O-N 3.18Å; I2161-N2165 PolarHBondContact O-ND2 3.09Å; I2161-N2165 PolarHBondContact O-OD1 3.2Å; I2161-N2165 VanDerWaalsContact O-OD1 3.07Å; I2161-P2173 HydrophobicContact CD1-CB 3.92Å; I2161-P2173 HydrophobicContact CD1-CG 3.84Å
2162	N	54.5	Low	50.7	Low	107.6 Å²	107.6	85.1 Å²	85.1	58%	0.575	46%	0.464	S	S	*	.	H	α-helix	trans	-63.9	-33.4	175.2	-70.8	-28.3	0	0	0	112.9	P2158 E2159 L2160 S2166	P2158-N2162 VanDerWaalsContact O-CG 3.29Å; P2158-N2162 PolarHBondContact O-N 3.05Å; P2158-N2162 PolarHBondContact O-ND2 3.03Å; E2159-N2162 WeakPolarHBondContact O-CB 3.39Å; E2159-N2162 PolarHBondContact O-N 3.24Å; L2160-N2162 VanDerWaalsContact C-N 3.33Å; L2160-N2162 PolarHBondContact O-N 3.27Å; N2162-S2166 PolarHBondContact O-N 3.03Å; N2162-S2166 VanDerWaalsContact O-N 3.1Å; N2162-S2166 PolarHBondContact O-OG 3.23Å
2163	Q	54.2	Low	50.2	Low	103.6 Å²	103.6	84.5 Å²	84.5	48%	0.484	47%	0.471	S	S	.	.	H	α-helix	trans	-70.6	-37.5	173.6	-70.2	177	18	0	0	112.3	E2159 L2160 I2161 N2165 S2166 M2167	E2159-Q2163 WeakPolarHBondContact O-CG 3.44Å; E2159-Q2163 PolarHBondContact O-N 3.08Å; E2159-Q2163 VanDerWaalsContact O-N 3.09Å; L2160-Q2163 PolarHBondContact O-N 3.23Å; I2161-Q2163 VanDerWaalsContact C-N 3.3Å; I2161-Q2163 PolarHBondContact O-N 3.06Å; Q2163-N2165 VanDerWaalsContact C-N 3.34Å; Q2163-N2165 PolarHBondContact O-N 2.75Å; Q2163-S2166 WeakPolarHBondContact CA-OG 3.43Å; Q2163-S2166 WeakPolarHBondContact O-CB 3.37Å; Q2163-S2166 PolarHBondContact O-N 3.04Å; Q2163-S2166 PolarHBondContact O-OG 3.2Å; Q2163-S2166 VanDerWaalsContact O-OG 3.13Å; Q2163-M2167 WeakPolarHBondContact O-CG 3.5Å; Q2163-M2167 PolarHBondContact O-N 3.08Å
2164	I	56.2	Low	50	Low	34.2 Å²	34.2	86.5 Å²	86.5	18%	0.175	49%	0.488	C	S	.	.	H	α-helix	trans	-66.9	-43.7	172.8	-68.3	170.2	0	0	0	110.7	F2150 L2154 L2160 I2161 S2166 M2167 C2168 L2169 L2171 V2184 I2188	F2150-I2164 HydrophobicContact CE1-CD1 4.07Å; F2150-I2164 HydrophobicContact CZ-CD1 4.14Å; L2154-I2164 HydrophobicContact CD1-CD1 4.15Å; L2154-I2164 HydrophobicContact CD2-CD1 3.83Å; L2154-I2164 HydrophobicContact CG-CD1 4.43Å; L2160-I2164 WeakPolarHBondContact O-CG1 3.31Å; L2160-I2164 PolarHBondContact O-N 3.2Å; I2161-I2164 PolarHBondContact O-N 3.01Å; I2161-I2164 VanDerWaalsContact O-N 3.12Å; I2164-S2166 PolarHBondContact O-N 2.92Å; I2164-S2166 VanDerWaalsContact O-N 3.17Å; I2164-M2167 HydrophobicContact CB-CE 4.46Å; I2164-M2167 HydrophobicContact CG1-CE 4.21Å; I2164-M2167 HydrophobicContact CG2-CE 4.48Å; I2164-M2167 WeakPolarHBondContact O-CB 3.32Å; I2164-M2167 PolarHBondContact O-N 3.13Å; I2164-M2167 VanDerWaalsContact O-N 3.08Å; I2164-C2168 PolarHBondContact O-N 2.67Å; I2164-C2168 PolarHBondContact O-SG 3.18Å; I2164-C2168 VanDerWaalsContact O-SG 3.37Å; I2164-L2169 HydrophobicContact CG2-CB 4.44Å; I2164-L2171 HydrophobicContact CG2-CD1 4.16Å; I2164-V2184 HydrophobicContact CG2-CG1 4.47Å; I2164-I2188 HydrophobicContact CG2-CD1 4.35Å
2165	N	49.3	Very low	49.8	Very low	53.6 Å²	53.6	91 Å²	91	29%	0.287	51%	0.512	S	S	.	.	H	α-helix	trans	-64.3	-25.8	178.1	-67.6	2	0	0	0	112.4	I2161 Q2163 M2167 C2168 L2169 L2171	I2161-N2165 WeakPolarHBondContact O-CB 3.34Å; I2161-N2165 VanDerWaalsContact O-CG 3.25Å; I2161-N2165 PolarHBondContact O-N 3.18Å; I2161-N2165 PolarHBondContact O-ND2 3.09Å; I2161-N2165 PolarHBondContact O-OD1 3.2Å; I2161-N2165 VanDerWaalsContact O-OD1 3.07Å; Q2163-N2165 VanDerWaalsContact C-N 3.34Å; Q2163-N2165 PolarHBondContact O-N 2.75Å; N2165-M2167 VanDerWaalsContact C-N 3.25Å; N2165-M2167 PolarHBondContact O-N 3.06Å; N2165-C2168 PolarHBondContact O-N 2.98Å; N2165-C2168 VanDerWaalsContact O-N 3.15Å; N2165-L2169 VanDerWaalsContact CA-O 3.27Å; N2165-L2169 WeakPolarHBondContact CA-O 3.25Å; N2165-L2169 VanDerWaalsContact CG-O 3.25Å; N2165-L2169 PolarHBondContact OD1-O 3.11Å; N2165-L2169 VanDerWaalsContact OD1-O 3.12Å; N2165-L2171 PolarHBondContact ND2-O 2.76Å; N2165-L2171 PolarHBondContact OD1-N 3.15Å; N2165-L2171 VanDerWaalsContact OD1-N 3.12Å; N2165-L2171 PolarHBondContact OD1-O 3.2Å
2166	S	48.9	Very low	49.5	Very low	88.8 Å²	88.8	89.7 Å²	89.7	62%	0.621	50%	0.501	S	S	*	.	H	α-helix	trans	-72.9	-16.7	172	72.8	0	0	0	0	114.2	N2162 Q2163 I2164 C2168	N2162-S2166 PolarHBondContact O-N 3.03Å; N2162-S2166 VanDerWaalsContact O-N 3.1Å; N2162-S2166 PolarHBondContact O-OG 3.23Å; Q2163-S2166 WeakPolarHBondContact CA-OG 3.43Å; Q2163-S2166 WeakPolarHBondContact O-CB 3.37Å; Q2163-S2166 PolarHBondContact O-N 3.04Å; Q2163-S2166 PolarHBondContact O-OG 3.2Å; Q2163-S2166 VanDerWaalsContact O-OG 3.13Å; I2164-S2166 PolarHBondContact O-N 2.92Å; I2164-S2166 VanDerWaalsContact O-N 3.17Å; S2166-C2168 VanDerWaalsContact C-N 3.29Å; S2166-C2168 PolarHBondContact O-N 3.02Å; S2166-C2168 VanDerWaalsContact O-N 3.16Å
2167	M	44.3	Very low	49.5	Very low	97.2 Å²	97.2	85.1 Å²	85.1	48%	0.479	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	18	171.1	-63.3	-170.9	-73.1	0	0	113	I2136 L2141 Q2163 I2164 N2165 L2169 I2188	I2136-M2167 HydrophobicContact CD1-CE 4.3Å; I2136-M2167 HydrophobicContact CD1-SD 3.95Å; I2136-M2167 HydrophobicContact CG2-SD 4.44Å; L2141-M2167 HydrophobicContact CD1-CE 4.27Å; Q2163-M2167 WeakPolarHBondContact O-CG 3.5Å; Q2163-M2167 PolarHBondContact O-N 3.08Å; I2164-M2167 HydrophobicContact CB-CE 4.46Å; I2164-M2167 HydrophobicContact CG1-CE 4.21Å; I2164-M2167 HydrophobicContact CG2-CE 4.48Å; I2164-M2167 WeakPolarHBondContact O-CB 3.32Å; I2164-M2167 PolarHBondContact O-N 3.13Å; I2164-M2167 VanDerWaalsContact O-N 3.08Å; N2165-M2167 VanDerWaalsContact C-N 3.25Å; N2165-M2167 PolarHBondContact O-N 3.06Å; M2167-L2169 VanDerWaalsContact C-N 3.31Å; M2167-L2169 HydrophobicContact CB-CD1 4.25Å; M2167-L2169 PolarHBondContact O-N 3.26Å; M2167-I2188 HydrophobicContact CE-CD1 3.7Å; M2167-I2188 HydrophobicContact CE-CG1 4.29Å; M2167-I2188 HydrophobicContact SD-CD1 4.15Å; M2167-I2188 HydrophobicContact SD-CG1 4.01Å
2168	C	38.5	Very low	49.6	Very low	111.8 Å²	111.8	89.9 Å²	89.9	76%	0.755	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	22.9	177.6	-79.5	0	0	0	0	115.1	I2164 N2165 S2166 D2170 L2171	I2164-C2168 PolarHBondContact O-N 2.67Å; I2164-C2168 PolarHBondContact O-SG 3.18Å; I2164-C2168 VanDerWaalsContact O-SG 3.37Å; N2165-C2168 PolarHBondContact O-N 2.98Å; N2165-C2168 VanDerWaalsContact O-N 3.15Å; S2166-C2168 VanDerWaalsContact C-N 3.29Å; S2166-C2168 PolarHBondContact O-N 3.02Å; S2166-C2168 VanDerWaalsContact O-N 3.16Å; C2168-D2170 PolarHBondContact O-N 2.85Å; C2168-L2171 PolarHBondContact O-N 3.12Å
2169	L	41.6	Very low	49.5	Very low	78.2 Å²	78.2	90.8 Å²	90.8	41%	0.409	51%	0.513	S	S	.	.			trans	-111.3	85.6	177.9	-72	167.9	0	0	0	110.5	I2164 N2165 M2167 L2171 V2184 I2188	I2164-L2169 HydrophobicContact CG2-CB 4.44Å; N2165-L2169 VanDerWaalsContact CA-O 3.27Å; N2165-L2169 WeakPolarHBondContact CA-O 3.25Å; N2165-L2169 VanDerWaalsContact CG-O 3.25Å; N2165-L2169 PolarHBondContact OD1-O 3.11Å; N2165-L2169 VanDerWaalsContact OD1-O 3.12Å; M2167-L2169 VanDerWaalsContact C-N 3.31Å; M2167-L2169 HydrophobicContact CB-CD1 4.25Å; M2167-L2169 PolarHBondContact O-N 3.26Å; L2169-L2171 VanDerWaalsContact C-N 3.3Å; L2169-L2171 HydrophobicContact CB-CD1 3.83Å; L2169-L2171 VanDerWaalsContact O-CD1 3.3Å; L2169-L2171 WeakPolarHBondContact O-CD1 3.36Å; L2169-L2171 PolarHBondContact O-N 3.28Å; L2169-V2184 HydrophobicContact CD1-CB 4.44Å; L2169-V2184 HydrophobicContact CD1-CG1 3.93Å; L2169-V2184 HydrophobicContact CD1-CG2 4.13Å; L2169-V2184 HydrophobicContact CD2-CG2 4.44Å; L2169-I2188 HydrophobicContact CD1-CD1 3.99Å; L2169-I2188 HydrophobicContact CD1-CG1 3.92Å
2170	D	41.9	Very low	49.4	Very low	145 Å²	145	87.1 Å²	87.1	78%	0.775	50%	0.5	S	S	*	.			trans	-88.3	69.3	179.2	-144.6	-0.9	0	0	0	112.2	P2056 C2168 A2172	P2056-D2170 VanDerWaalsContact CD-OD2 3.23Å; P2056-D2170 WeakPolarHBondContact CD-OD2 3.34Å; P2056-D2170 HydrophobicContact CG-CB 4.27Å; P2056-D2170 WeakPolarHBondContact CG-OD2 3.41Å; C2168-D2170 PolarHBondContact O-N 2.85Å; D2170-A2172 PolarHBondContact O-N 3.1Å; D2170-A2172 VanDerWaalsContact O-N 3.12Å
2171	L	45.4	Very low	49	Very low	60.2 Å²	60.2	87.3 Å²	87.3	32%	0.315	50%	0.501	S	S	.	.			trans	-95.9	113	174.8	-77.9	95.4	0	0	0	110.2	I2164 N2165 C2168 L2169 L2176 V2184	I2164-L2171 HydrophobicContact CG2-CD1 4.16Å; N2165-L2171 PolarHBondContact ND2-O 2.76Å; N2165-L2171 PolarHBondContact OD1-N 3.15Å; N2165-L2171 VanDerWaalsContact OD1-N 3.12Å; N2165-L2171 PolarHBondContact OD1-O 3.2Å; C2168-L2171 PolarHBondContact O-N 3.12Å; L2169-L2171 VanDerWaalsContact C-N 3.3Å; L2169-L2171 HydrophobicContact CB-CD1 3.83Å; L2169-L2171 VanDerWaalsContact O-CD1 3.3Å; L2169-L2171 WeakPolarHBondContact O-CD1 3.36Å; L2169-L2171 PolarHBondContact O-N 3.28Å; L2171-L2176 HydrophobicContact CD2-CD1 3.96Å; L2171-L2176 HydrophobicContact CD2-CD2 3.84Å; L2171-V2184 HydrophobicContact CD1-CG1 4.46Å; L2171-V2184 HydrophobicContact CD1-CG2 3.99Å; L2171-V2184 HydrophobicContact CD2-CG2 4.07Å
2172	A	46.7	Very low	48.7	Very low	59.2 Å²	59.2	88.1 Å²	88.1	49%	0.489	51%	0.514	S	S	.	.			trans	-68.2	140.8	171.7	0	0	0	0	0	110.7	D2170 A2174 D2175	D2170-A2172 PolarHBondContact O-N 3.1Å; D2170-A2172 VanDerWaalsContact O-N 3.12Å; A2172-A2174 VanDerWaalsContact C-N 3.28Å; A2172-A2174 PolarHBondContact O-N 3.1Å; A2172-D2175 VanDerWaalsContact CB-OD2 3.3Å; A2172-D2175 WeakPolarHBondContact CB-OD2 3.41Å; A2172-D2175 PolarHBondContact N-OD2 3.3Å; A2172-D2175 PolarHBondContact O-N 3.05Å
2173	P	46	Very low	48.7	Very low	115.4 Å²	115.4	85.8 Å²	85.8	75%	0.749	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	3.9	-174.5	-11.7	20.8	0	0	0	115.5	I2161	I2161-P2173 HydrophobicContact CD1-CB 3.92Å; I2161-P2173 HydrophobicContact CD1-CG 3.84Å
2174	A	46.2	Very low	48.7	Very low	86.4 Å²	86.4	82.6 Å²	82.6	71%	0.714	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-30.1	-175.3	0	0	0	0	0	114.4	A2172	A2172-A2174 VanDerWaalsContact C-N 3.28Å; A2172-A2174 PolarHBondContact O-N 3.1Å
2175	D	45.4	Very low	48.5	Very low	117.4 Å²	117.4	82.8 Å²	82.8	63%	0.628	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0	-171.4	-69.5	-54	0	0	0	113.6	A2172 N2177 T2180	A2172-D2175 VanDerWaalsContact CB-OD2 3.3Å; A2172-D2175 WeakPolarHBondContact CB-OD2 3.41Å; A2172-D2175 PolarHBondContact N-OD2 3.3Å; A2172-D2175 PolarHBondContact O-N 3.05Å; D2175-N2177 PolarHBondContact O-N 3.06Å; D2175-N2177 VanDerWaalsContact O-N 3.08Å; D2175-N2177 PolarHBondContact O-ND2 2.84Å; D2175-T2180 WeakPolarHBondContact O-CG2 3.39Å; D2175-T2180 PolarHBondContact O-OG1 3.25Å; D2175-T2180 VanDerWaalsContact O-OG1 3.07Å
2176	L	49.9	Very low	49	Very low	70.8 Å²	70.8	82.2 Å²	82.2	37%	0.371	51%	0.511	S	S	.	.			trans	-76.8	84.3	-173.6	-162.9	74.4	0	0	0	112.8	L2154 L2171 Q2178 T2180 L2181	L2154-L2176 HydrophobicContact CB-CD2 3.65Å; L2154-L2176 VanDerWaalsContact CB-CD2 3.46Å; L2154-L2176 HydrophobicContact CD1-CD1 4.15Å; L2154-L2176 HydrophobicContact CD1-CD2 4.11Å; L2154-L2176 HydrophobicContact CG-CD2 4.25Å; L2171-L2176 HydrophobicContact CD2-CD1 3.96Å; L2171-L2176 HydrophobicContact CD2-CD2 3.84Å; L2176-Q2178 PolarHBondContact O-N 3.22Å; L2176-T2180 HydrophobicContact CD1-CG2 3.94Å; L2176-L2181 HydrophobicContact CD1-CD1 4.17Å; L2176-L2181 HydrophobicContact CD2-CB 3.87Å; L2176-L2181 HydrophobicContact CD2-CD1 3.85Å; L2176-L2181 HydrophobicContact CD2-CG 4.33Å; L2176-L2181 HydrophobicContact CG-CB 4.47Å
2177	N	51.8	Low	49.2	Very low	95.4 Å²	95.4	80.3 Å²	80.3	51%	0.51	50%	0.5	S	S	.	.			trans	-81.5	155.1	171.4	-52.1	-14.8	0	0	0	111.8	D2175 V2179 T2180 L2181	D2175-N2177 PolarHBondContact O-N 3.06Å; D2175-N2177 VanDerWaalsContact O-N 3.08Å; D2175-N2177 PolarHBondContact O-ND2 2.84Å; N2177-V2179 PolarHBondContact O-N 3.16Å; N2177-V2179 VanDerWaalsContact O-N 3.11Å; N2177-V2179 WeakPolarHBondContact OD1-CA 3.48Å; N2177-V2179 VanDerWaalsContact OD1-CB 3.26Å; N2177-V2179 WeakPolarHBondContact OD1-CB 3.35Å; N2177-V2179 PolarHBondContact OD1-N 2.86Å; N2177-T2180 PolarHBondContact N-OG1 3.05Å; N2177-T2180 PolarHBondContact ND2-OG1 3.47Å; N2177-T2180 WeakPolarHBondContact O-CA 3.11Å; N2177-T2180 WeakPolarHBondContact O-CB 3.24Å; N2177-T2180 PolarHBondContact O-N 3Å; N2177-T2180 PolarHBondContact O-OG1 2.97Å; N2177-T2180 PolarHBondContact OD1-N 3.07Å; N2177-T2180 VanDerWaalsContact OD1-N 3.15Å; N2177-T2180 PolarHBondContact OD1-OG1 2.98Å; N2177-L2181 WeakPolarHBondContact O-CB 3.38Å; N2177-L2181 PolarHBondContact O-N 3.22Å; N2177-L2181 VanDerWaalsContact O-N 3.16Å
2178	Q	52	Low	49.4	Very low	153.2 Å²	153.2	78.4 Å²	78.4	72%	0.716	49%	0.491	S	S	*	.	H	α-helix	trans	-55.7	-33.5	178.8	-71.3	-179.1	-10.8	0	0	113	I2151 L2176 T2180 L2181 A2182	I2151-Q2178 HydrophobicContact CD1-CG 3.73Å; L2176-Q2178 PolarHBondContact O-N 3.22Å; Q2178-T2180 VanDerWaalsContact C-N 3.34Å; Q2178-T2180 PolarHBondContact O-N 3.47Å; Q2178-L2181 PolarHBondContact O-N 3.01Å; Q2178-A2182 VanDerWaalsContact O-CB 3.26Å; Q2178-A2182 WeakPolarHBondContact O-CB 3.36Å; Q2178-A2182 PolarHBondContact O-N 3.07Å
2179	V	52.5	Low	50	Low	105.4 Å²	105.4	75.4 Å²	75.4	64%	0.639	48%	0.475	S	S	*	.	H	α-helix	trans	-66.9	-41	177.1	-175.1	0	0	0	0	111.3	T1598 F2048 N2177 L2181 A2182 A2183	T1598-V2179 HydrophobicContact CG2-CG2 4.3Å; F2048-V2179 HydrophobicContact CE1-CG1 4.48Å; N2177-V2179 PolarHBondContact O-N 3.16Å; N2177-V2179 VanDerWaalsContact O-N 3.11Å; N2177-V2179 WeakPolarHBondContact OD1-CA 3.48Å; N2177-V2179 VanDerWaalsContact OD1-CB 3.26Å; N2177-V2179 WeakPolarHBondContact OD1-CB 3.35Å; N2177-V2179 PolarHBondContact OD1-N 2.86Å; V2179-L2181 VanDerWaalsContact C-N 3.34Å; V2179-A2182 PolarHBondContact O-N 3.44Å; V2179-A2183 VanDerWaalsContact O-CB 3.29Å; V2179-A2183 WeakPolarHBondContact O-CB 3.39Å; V2179-A2183 PolarHBondContact O-N 3.2Å
2180	T	55.8	Low	50	Low	56.8 Å²	56.8	74.5 Å²	74.5	35%	0.348	48%	0.479	S	S	.	.	H	α-helix	trans	-66.7	-41.7	175.6	-8.8	0	0	0	0	111.3	D2175 L2176 N2177 Q2178 A2183 V2184	D2175-T2180 WeakPolarHBondContact O-CG2 3.39Å; D2175-T2180 PolarHBondContact O-OG1 3.25Å; D2175-T2180 VanDerWaalsContact O-OG1 3.07Å; L2176-T2180 HydrophobicContact CD1-CG2 3.94Å; N2177-T2180 PolarHBondContact N-OG1 3.05Å; N2177-T2180 PolarHBondContact ND2-OG1 3.47Å; N2177-T2180 WeakPolarHBondContact O-CA 3.11Å; N2177-T2180 WeakPolarHBondContact O-CB 3.24Å; N2177-T2180 PolarHBondContact O-N 3Å; N2177-T2180 PolarHBondContact O-OG1 2.97Å; N2177-T2180 PolarHBondContact OD1-N 3.07Å; N2177-T2180 VanDerWaalsContact OD1-N 3.15Å; N2177-T2180 PolarHBondContact OD1-OG1 2.98Å; Q2178-T2180 VanDerWaalsContact C-N 3.34Å; Q2178-T2180 PolarHBondContact O-N 3.47Å; T2180-A2183 PolarHBondContact O-N 2.97Å; T2180-V2184 WeakPolarHBondContact O-CB 3.31Å; T2180-V2184 VanDerWaalsContact O-CG2 3.29Å; T2180-V2184 WeakPolarHBondContact O-CG2 3.36Å; T2180-V2184 PolarHBondContact O-N 3.09Å
2181	L	50.8	Low	50.3	Low	48.6 Å²	48.6	72 Å²	72	25%	0.254	47%	0.469	S	S	.	.	H	α-helix	trans	-65.6	-41.3	177.7	-163.2	71.6	0	0	0	111.5	I2145 F2150 I2151 L2154 L2176 N2177 Q2178 V2179 V2184 A2185	I2145-L2181 HydrophobicContact CB-CD2 4.33Å; I2145-L2181 HydrophobicContact CG1-CD2 4.24Å; I2145-L2181 HydrophobicContact CG1-CG 4.14Å; I2145-L2181 HydrophobicContact CG2-CD2 4.26Å; I2145-L2181 HydrophobicContact CG2-CG 4.42Å; F2150-L2181 HydrophobicContact CD1-CD2 4.09Å; F2150-L2181 HydrophobicContact CE1-CD1 4.34Å; F2150-L2181 HydrophobicContact CE1-CD2 4.3Å; I2151-L2181 HydrophobicContact CD1-CD2 3.9Å; I2151-L2181 HydrophobicContact CG1-CD2 3.98Å; I2151-L2181 HydrophobicContact CG2-CD2 3.91Å; I2151-L2181 HydrophobicContact CG2-CG 4.38Å; L2154-L2181 HydrophobicContact CD1-CD1 3.9Å; L2154-L2181 HydrophobicContact CD1-CD2 4.13Å; L2176-L2181 HydrophobicContact CD1-CD1 4.17Å; L2176-L2181 HydrophobicContact CD2-CB 3.87Å; L2176-L2181 HydrophobicContact CD2-CD1 3.85Å; L2176-L2181 HydrophobicContact CD2-CG 4.33Å; L2176-L2181 HydrophobicContact CG-CB 4.47Å; N2177-L2181 WeakPolarHBondContact O-CB 3.38Å; N2177-L2181 PolarHBondContact O-N 3.22Å; N2177-L2181 VanDerWaalsContact O-N 3.16Å; Q2178-L2181 PolarHBondContact O-N 3.01Å; V2179-L2181 VanDerWaalsContact C-N 3.34Å; L2181-V2184 PolarHBondContact O-N 3.01Å; L2181-A2185 WeakPolarHBondContact O-CB 3.34Å; L2181-A2185 PolarHBondContact O-N 3.14Å
2182	A	50.9	Low	50.2	Low	60.6 Å²	60.6	71.6 Å²	71.6	50%	0.501	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-36.7	174.3	0	0	0	0	0	112.9	Q2178 V2179 A2185 G2186	Q2178-A2182 VanDerWaalsContact O-CB 3.26Å; Q2178-A2182 WeakPolarHBondContact O-CB 3.36Å; Q2178-A2182 PolarHBondContact O-N 3.07Å; V2179-A2182 PolarHBondContact O-N 3.44Å; A2182-A2185 WeakPolarHBondContact O-CB 3.36Å; A2182-A2185 PolarHBondContact O-N 3.28Å; A2182-G2186 PolarHBondContact O-N 3.22Å
2183	A	54.1	Low	50.1	Low	59 Å²	59	73.8 Å²	73.8	49%	0.488	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-41	174.4	0	0	0	0	0	111.9	V2179 T2180 A2185 G2186 A2187	V2179-A2183 VanDerWaalsContact O-CB 3.29Å; V2179-A2183 WeakPolarHBondContact O-CB 3.39Å; V2179-A2183 PolarHBondContact O-N 3.2Å; T2180-A2183 PolarHBondContact O-N 2.97Å; A2183-A2185 VanDerWaalsContact C-N 3.34Å; A2183-G2186 PolarHBondContact O-N 3.21Å; A2183-A2187 WeakPolarHBondContact O-CB 3.25Å; A2183-A2187 PolarHBondContact O-N 3.08Å
2184	V	54.4	Low	49.9	Very low	37.6 Å²	37.6	72.4 Å²	72.4	23%	0.228	48%	0.48	C	S	.	.	H	α-helix	trans	-64.3	-44.2	173.2	168.2	0	0	0	0	111	I2164 L2169 L2171 T2180 L2181 G2186 A2187 I2188	I2164-V2184 HydrophobicContact CG2-CG1 4.47Å; L2169-V2184 HydrophobicContact CD1-CB 4.44Å; L2169-V2184 HydrophobicContact CD1-CG1 3.93Å; L2169-V2184 HydrophobicContact CD1-CG2 4.13Å; L2169-V2184 HydrophobicContact CD2-CG2 4.44Å; L2171-V2184 HydrophobicContact CD1-CG1 4.46Å; L2171-V2184 HydrophobicContact CD1-CG2 3.99Å; L2171-V2184 HydrophobicContact CD2-CG2 4.07Å; T2180-V2184 WeakPolarHBondContact O-CB 3.31Å; T2180-V2184 VanDerWaalsContact O-CG2 3.29Å; T2180-V2184 WeakPolarHBondContact O-CG2 3.36Å; T2180-V2184 PolarHBondContact O-N 3.09Å; L2181-V2184 PolarHBondContact O-N 3.01Å; V2184-G2186 VanDerWaalsContact C-N 3.32Å; V2184-G2186 PolarHBondContact O-N 3.18Å; V2184-A2187 PolarHBondContact O-N 3.11Å; V2184-A2187 VanDerWaalsContact O-N 3.16Å; V2184-I2188 HydrophobicContact CG1-CD1 3.75Å; V2184-I2188 HydrophobicContact CG1-CG1 4.4Å; V2184-I2188 WeakPolarHBondContact O-CB 3.41Å; V2184-I2188 VanDerWaalsContact O-CG1 3.28Å; V2184-I2188 WeakPolarHBondContact O-CG1 3.32Å; V2184-I2188 PolarHBondContact O-N 3.06Å
2185	A	52.4	Low	49.6	Very low	37.8 Å²	37.8	71.5 Å²	71.5	31%	0.312	48%	0.479	S	S	.	.	H	α-helix	trans	-59.6	-44.2	174.6	0	0	0	0	0	112.2	I2145 L2181 A2182 A2183 I2188 A2189	I2145-A2185 HydrophobicContact CD1-CB 3.53Å; I2145-A2185 HydrophobicContact CG1-CB 4.38Å; I2145-A2185 HydrophobicContact CG2-CB 3.92Å; L2181-A2185 WeakPolarHBondContact O-CB 3.34Å; L2181-A2185 PolarHBondContact O-N 3.14Å; A2182-A2185 WeakPolarHBondContact O-CB 3.36Å; A2182-A2185 PolarHBondContact O-N 3.28Å; A2183-A2185 VanDerWaalsContact C-N 3.34Å; A2185-I2188 PolarHBondContact O-N 3.12Å; A2185-A2189 VanDerWaalsContact O-CB 3.3Å; A2185-A2189 WeakPolarHBondContact O-CB 3.35Å; A2185-A2189 PolarHBondContact O-N 3.11Å
2186	G	58.8	Low	49.2	Very low	40.8 Å²	40.8	69.3 Å²	69.3	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-64.4	-38.7	175.6	0	0	0	0	0	113.2	A2182 A2183 V2184 A2189 A2190	A2182-G2186 PolarHBondContact O-N 3.22Å; A2183-G2186 PolarHBondContact O-N 3.21Å; V2184-G2186 VanDerWaalsContact C-N 3.32Å; V2184-G2186 PolarHBondContact O-N 3.18Å; G2186-A2189 PolarHBondContact O-N 3.18Å; G2186-A2190 VanDerWaalsContact O-CB 3.24Å; G2186-A2190 WeakPolarHBondContact O-CB 3.42Å; G2186-A2190 PolarHBondContact O-N 3Å
2187	A	54.8	Low	48.4	Very low	48.8 Å²	48.8	69.9 Å²	69.9	40%	0.403	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-43.6	174.9	0	0	0	0	0	112	A2183 V2184 A2189 A2190 T2191	A2183-A2187 WeakPolarHBondContact O-CB 3.25Å; A2183-A2187 PolarHBondContact O-N 3.08Å; V2184-A2187 PolarHBondContact O-N 3.11Å; V2184-A2187 VanDerWaalsContact O-N 3.16Å; A2187-A2189 VanDerWaalsContact C-N 3.32Å; A2187-A2189 PolarHBondContact O-N 3.12Å; A2187-A2190 PolarHBondContact O-N 3.16Å; A2187-T2191 VanDerWaalsContact O-CB 3.31Å; A2187-T2191 WeakPolarHBondContact O-CB 3.36Å; A2187-T2191 PolarHBondContact O-N 3.06Å; A2187-T2191 PolarHBondContact O-OG1 3.02Å; A2187-T2191 VanDerWaalsContact O-OG1 3.07Å
2188	I	47.7	Very low	47.5	Very low	57 Å²	57	72.6 Å²	72.6	29%	0.292	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-45.1	174.9	-68.7	166.9	0	0	0	110.3	L2141 I2164 M2167 L2169 V2184 A2185 A2190 T2191 A2192	L2141-I2188 HydrophobicContact CD1-CD1 4.25Å; L2141-I2188 HydrophobicContact CD1-CG2 4.49Å; I2164-I2188 HydrophobicContact CG2-CD1 4.35Å; M2167-I2188 HydrophobicContact CE-CD1 3.7Å; M2167-I2188 HydrophobicContact CE-CG1 4.29Å; M2167-I2188 HydrophobicContact SD-CD1 4.15Å; M2167-I2188 HydrophobicContact SD-CG1 4.01Å; L2169-I2188 HydrophobicContact CD1-CD1 3.99Å; L2169-I2188 HydrophobicContact CD1-CG1 3.92Å; V2184-I2188 HydrophobicContact CG1-CD1 3.75Å; V2184-I2188 HydrophobicContact CG1-CG1 4.4Å; V2184-I2188 WeakPolarHBondContact O-CB 3.41Å; V2184-I2188 VanDerWaalsContact O-CG1 3.28Å; V2184-I2188 WeakPolarHBondContact O-CG1 3.32Å; V2184-I2188 PolarHBondContact O-N 3.06Å; A2185-I2188 PolarHBondContact O-N 3.12Å; I2188-A2190 PolarHBondContact O-N 2.79Å; I2188-T2191 WeakPolarHBondContact CA-OG1 3.39Å; I2188-T2191 CarbonylContact O-C 3.21Å; I2188-T2191 PolarHBondContact O-N 3.38Å; I2188-T2191 PolarHBondContact O-OG1 3.49Å; I2188-A2192 WeakPolarHBondContact O-CB 3.22Å; I2188-A2192 PolarHBondContact O-N 3.18Å
2189	A	50.3	Low	46.4	Very low	49 Å²	49	73 Å²	73	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.3	0	0	0	0	0	112.3	I2145 A2185 G2186 A2187 T2191 A2192 V2193	I2145-A2189 HydrophobicContact CD1-CB 3.74Å; A2185-A2189 VanDerWaalsContact O-CB 3.3Å; A2185-A2189 WeakPolarHBondContact O-CB 3.35Å; A2185-A2189 PolarHBondContact O-N 3.11Å; G2186-A2189 PolarHBondContact O-N 3.18Å; A2187-A2189 VanDerWaalsContact C-N 3.32Å; A2187-A2189 PolarHBondContact O-N 3.12Å; A2189-T2191 VanDerWaalsContact C-N 3.31Å; A2189-T2191 PolarHBondContact O-N 3.27Å; A2189-A2192 PolarHBondContact O-N 3.28Å; A2189-V2193 WeakPolarHBondContact O-CB 2.99Å; A2189-V2193 VanDerWaalsContact O-CG2 3.32Å; A2189-V2193 WeakPolarHBondContact O-CG2 3.33Å; A2189-V2193 PolarHBondContact O-N 3.06Å
2190	A	42.7	Very low	45.3	Very low	60.8 Å²	60.8	75.7 Å²	75.7	50%	0.502	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-39.2	175.7	0	0	0	0	0	112.2	G2186 A2187 I2188 V2193 A2194	G2186-A2190 VanDerWaalsContact O-CB 3.24Å; G2186-A2190 WeakPolarHBondContact O-CB 3.42Å; G2186-A2190 PolarHBondContact O-N 3Å; A2187-A2190 PolarHBondContact O-N 3.16Å; I2188-A2190 PolarHBondContact O-N 2.79Å; A2190-V2193 PolarHBondContact O-N 3.14Å; A2190-A2194 VanDerWaalsContact O-CB 3.29Å; A2190-A2194 WeakPolarHBondContact O-CB 3.05Å; A2190-A2194 PolarHBondContact O-N 3.18Å
2191	T	47.3	Very low	44	Very low	92 Å²	92	77.8 Å²	77.8	56%	0.564	54%	0.542	S	S	*	.	H	α-helix	trans	-70.2	-35.9	175.9	-41.3	0	0	0	0	112.1	I2151 A2187 I2188 A2189 V2193 A2194 G2195	I2151-T2191 HydrophobicContact CG2-CG2 4.36Å; A2187-T2191 VanDerWaalsContact O-CB 3.31Å; A2187-T2191 WeakPolarHBondContact O-CB 3.36Å; A2187-T2191 PolarHBondContact O-N 3.06Å; A2187-T2191 PolarHBondContact O-OG1 3.02Å; A2187-T2191 VanDerWaalsContact O-OG1 3.07Å; I2188-T2191 WeakPolarHBondContact CA-OG1 3.39Å; I2188-T2191 CarbonylContact O-C 3.21Å; I2188-T2191 PolarHBondContact O-N 3.38Å; I2188-T2191 PolarHBondContact O-OG1 3.49Å; A2189-T2191 VanDerWaalsContact C-N 3.31Å; A2189-T2191 PolarHBondContact O-N 3.27Å; T2191-V2193 VanDerWaalsContact C-N 3.32Å; T2191-V2193 PolarHBondContact O-N 3.06Å; T2191-A2194 PolarHBondContact O-N 3.11Å; T2191-G2195 WeakPolarHBondContact O-CA 3.05Å; T2191-G2195 PolarHBondContact O-N 3.21Å
2192	A	43.6	Very low	43	Very low	51.8 Å²	51.8	82.5 Å²	82.5	43%	0.428	57%	0.567	S	S	.	*	H	α-helix	trans	-66.2	-38.3	173.9	0	0	0	0	0	112	I2188 A2189 G2195 S2196	I2188-A2192 WeakPolarHBondContact O-CB 3.22Å; I2188-A2192 PolarHBondContact O-N 3.18Å; A2189-A2192 PolarHBondContact O-N 3.28Å; A2192-G2195 PolarHBondContact O-N 3Å; A2192-S2196 VanDerWaalsContact O-CB 3.32Å; A2192-S2196 WeakPolarHBondContact O-CB 3.42Å; A2192-S2196 PolarHBondContact O-N 2.94Å; A2192-S2196 VanDerWaalsContact O-N 3.1Å; A2192-S2196 PolarHBondContact O-OG 3.09Å
2193	V	45.1	Very low	41.9	Very low	105.6 Å²	105.6	84.7 Å²	84.7	64%	0.64	57%	0.574	S	S	*	*	H	α-helix	trans	-70.8	-37.3	174	172.1	0	0	0	0	111.9	A2189 A2190 T2191 S2196	A2189-V2193 WeakPolarHBondContact O-CB 2.99Å; A2189-V2193 VanDerWaalsContact O-CG2 3.32Å; A2189-V2193 WeakPolarHBondContact O-CG2 3.33Å; A2189-V2193 PolarHBondContact O-N 3.06Å; A2190-V2193 PolarHBondContact O-N 3.14Å; T2191-V2193 VanDerWaalsContact C-N 3.32Å; T2191-V2193 PolarHBondContact O-N 3.06Å; V2193-S2196 PolarHBondContact O-N 3.34Å; V2193-S2196 VanDerWaalsContact O-O 3.12Å
2194	A	41.5	Very low	40.7	Very low	86.6 Å²	86.6	87.1 Å²	87.1	72%	0.716	58%	0.583	S	S	*	*	H	α-helix	trans	-76.9	-27.8	177.3	0	0	0	0	0	113.8	A2190 T2191 S2196	A2190-A2194 VanDerWaalsContact O-CB 3.29Å; A2190-A2194 WeakPolarHBondContact O-CB 3.05Å; A2190-A2194 PolarHBondContact O-N 3.18Å; T2191-A2194 PolarHBondContact O-N 3.11Å; A2194-S2196 VanDerWaalsContact C-N 3.3Å; A2194-S2196 PolarHBondContact O-N 3.01Å
2195	G	39	Very low	39.4	Very low	67.4 Å²	67.4	90.5 Å²	90.5	70%	0.695	60%	0.604	S	S	*	*	H	α-helix	trans	-83.1	-17.9	178.3	0	0	0	0	0	114.4	T2191 A2192 G2197	T2191-G2195 WeakPolarHBondContact O-CA 3.05Å; T2191-G2195 PolarHBondContact O-N 3.21Å; A2192-G2195 PolarHBondContact O-N 3Å; G2195-G2197 PolarHBondContact O-N 2.9Å; G2195-G2197 VanDerWaalsContact O-N 3.1Å
2196	S	37.7	Very low	38.3	Very low	70.6 Å²	70.6	95.2 Å²	95.2	49%	0.494	62%	0.624	S	S	.	*	S	Bend	trans	-89.3	97.9	172.7	-74.9	0	0	0	0	109.4	N2138 A2192 V2193 A2194 M2198	N2138-S2196 PolarHBondContact ND2-OG 3.43Å; A2192-S2196 VanDerWaalsContact O-CB 3.32Å; A2192-S2196 WeakPolarHBondContact O-CB 3.42Å; A2192-S2196 PolarHBondContact O-N 2.94Å; A2192-S2196 VanDerWaalsContact O-N 3.1Å; A2192-S2196 PolarHBondContact O-OG 3.09Å; V2193-S2196 PolarHBondContact O-N 3.34Å; V2193-S2196 VanDerWaalsContact O-O 3.12Å; A2194-S2196 VanDerWaalsContact C-N 3.3Å; A2194-S2196 PolarHBondContact O-N 3.01Å; S2196-M2198 VanDerWaalsContact C-N 3.27Å; S2196-M2198 PolarHBondContact O-N 3.15Å
2197	G	33.1	Very low	36.9	Very low	82.6 Å²	82.6	99.6 Å²	99.6	85%	0.852	64%	0.638	S	S	*	*			trans	-63.3	84.1	-179	0	0	0	0	0	113.6	G2195	G2195-G2197 PolarHBondContact O-N 2.9Å; G2195-G2197 VanDerWaalsContact O-N 3.1Å
2198	M	32.7	Very low	35.8	Very low	153.4 Å²	153.4	102.8 Å²	102.8	76%	0.756	65%	0.652	S	S	*	*			trans	-126	47.2	176.9	-159.3	-176.7	76.1	0	0	112.2	S2196	S2196-M2198 VanDerWaalsContact C-N 3.27Å; S2196-M2198 PolarHBondContact O-N 3.15Å
2199	L	29.8	Very low	34.9	Very low	160.4 Å²	160.4	106.7 Å²	106.7	84%	0.84	67%	0.674	S	S	*	*			trans	-131.8	60.8	170.5	-74.8	178.4	0	0	0	111.3
2200	D	28.8	Very low	34	Very low	162.2 Å²	162.2	111.7 Å²	111.7	87%	0.867	69%	0.693	S	S	*	*			trans	-123.1	108.5	164.4	-83.7	-51.4	0	0	0	110.7
2201	S	29.2	Very low	33.3	Very low	102.2 Å²	102.2	114.2 Å²	114.2	72%	0.715	70%	0.702	S	S	*	*			trans	-129.7	140.4	179.3	55	0	0	0	0	114	T2203	S2201-T2203 PolarHBondContact O-N 3.13Å
2202	N	28.7	Very low	32.3	Very low	146 Å²	146	117.1 Å²	117.1	78%	0.781	71%	0.713	S	S	*	*				169.7	135.4	127.9	-107.6	-11.2	0	0	0	114.6	T2204	N2202-T2204 VanDerWaalsContact C-N 3.25Å; N2202-T2204 PolarHBondContact O-N 2.92Å
2203	T	28	Very low	31.5	Very low	106.2 Å²	106.2	120 Å²	120	65%	0.652	73%	0.726	S	S	*	*			trans	-78.3	134.8	162.9	46.6	0	0	0	0	114	S2201 T2831	S2201-T2203 PolarHBondContact O-N 3.13Å; T2203-T2831 PolarHBondContact OG1-N 3.47Å
2204	T	28.5	Very low	30.5	Very low	110 Å²	110	120 Å²	120	68%	0.675	73%	0.729	S	S	*	*			trans	-100.6	136.8	156	-48.1	0	0	0	0	112.2	N2202 D2206 T2830 T2831 T2832	N2202-T2204 VanDerWaalsContact C-N 3.25Å; N2202-T2204 PolarHBondContact O-N 2.92Å; T2204-D2206 PolarHBondContact O-N 3.08Å; T2204-T2830 CarbonylContact O-C 3.54Å; T2204-T2831 CarbonylContact C-O 3.58Å; T2204-T2831 CarbonylContact O-C 3.25Å; T2204-T2831 WeakPolarHBondContact O-CA 3.48Å; T2204-T2831 PolarHBondContact O-N 3.21Å; T2204-T2832 VanDerWaalsContact OG1-CA 3.26Å; T2204-T2832 WeakPolarHBondContact OG1-CA 2.86Å; T2204-T2832 PolarHBondContact OG1-N 3.31Å
2205	T	28.3	Very low	29.8	Very low	110.2 Å²	110.2	124 Å²	124	68%	0.676	73%	0.733	S	S	*	*			trans	-85.9	130.8	164.8	48.7	0	0	0	0	113.9	N2207 T2831	T2205-N2207 PolarHBondContact O-N 3.38Å; T2205-T2831 PolarHBondContact OG1-O 3.48Å
2206	D	29.6	Very low	29.4	Very low	136 Å²	136	125.1 Å²	125.1	73%	0.727	73%	0.728	S	S	*	*			trans	-148.5	127.6	130.3	-96.5	-9.2	0	0	0	115.5	T2204	T2204-D2206 PolarHBondContact O-N 3.08Å
2207	N	29.6	Very low	28.9	Very low	133 Å²	133	126.7 Å²	126.7	71%	0.711	74%	0.735	S	S	*	*			trans	77.8	114.9	154.8	-68.1	-46.7	0	0	0	118	T2205	T2205-N2207 PolarHBondContact O-N 3.38Å
2208	T	30.3	Very low	28.6	Very low	114.8 Å²	114.8	128.9 Å²	128.9	70%	0.704	73%	0.727	S	S	*	*			trans	78.8	125.6	136.2	59.1	0	0	0	0	117.3
2209	N	29.9	Very low	28.3	Very low	140.6 Å²	140.6	129.4 Å²	129.4	75%	0.752	73%	0.727	S	S	*	*			trans	76.8	100.7	141.5	-56.8	-30.8	0	0	0	117.5
2210	N	30.4	Very low	28.3	Very low	152.4 Å²	152.4	128.2 Å²	128.2	82%	0.815	72%	0.717	S	S	*	*				-179.3	142.8	73.4	-117.8	-14.5	0	0	0	114.4
2211	V	27.5	Very low	28.5	Very low	114.2 Å²	114.2	127.6 Å²	127.6	69%	0.692	71%	0.713	S	S	*	*			trans	-106	113.2	173.8	-173.7	0	0	0	0	113.5	T2213	V2211-T2213 HydrophobicContact CG1-CG2 4.1Å
2212	I	27.5	Very low	28.4	Very low	152.2 Å²	152.2	128.9 Å²	128.9	78%	0.781	71%	0.71	S	S	*	*				-175.7	111.1	129.8	-62.8	175.7	0	0	0	112.4
2213	T	27	Very low	28.4	Very low	114.4 Å²	114.4	127.4 Å²	127.4	70%	0.702	70%	0.702	S	S	*	*			trans	-119.8	141.7	151.1	40.7	0	0	0	0	114.8	C2028 V2211	C2028-T2213 HydrophobicContact CB-CG2 4.46Å; V2211-T2213 HydrophobicContact CG1-CG2 4.1Å
2214	C	24.4	Very low	28.6	Very low	105.2 Å²	105.2	129.2 Å²	129.2	71%	0.711	71%	0.708	S	S	*	*			trans	-79.6	140.7	161.3	-51.5	0	0	0	0	116.4	N2025	N2025-C2214 HydrophobicContact CB-CB 4.37Å; N2025-C2214 VanDerWaalsContact CG-CB 3.45Å; N2025-C2214 WeakPolarHBondContact ND2-CB 3.31Å; N2025-C2214 WeakPolarHBondContact OD1-CB 3.47Å; N2025-C2214 PolarHBondContact OD1-SG 3.35Å
2215	Q	25.4	Very low	28.7	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.794	71%	0.708	S	S	*	*				171.6	161.2	127.6	-123.6	175.6	-46.1	0	0	115.2	N2025 T2217	N2025-Q2215 PolarHBondContact ND2-OE1 2.98Å; Q2215-T2217 PolarHBondContact O-N 3.44Å
2216	P	31	Very low	28.7	Very low	90.2 Å²	90.2	131.1 Å²	131.1	59%	0.586	71%	0.709	S	S	*	*			trans	-105.1	164.8	-142.7	35.8	-25	0	0	0	113.5	Q2021	Q2021-P2216 HydrophobicContact CG-CG 4.06Å
2217	T	26.9	Very low	28.6	Very low	104 Å²	104	131.2 Å²	131.2	64%	0.638	71%	0.708	S	S	*	*			trans	-163.5	126.3	156.3	37	0	0	0	0	115.1	Q2215	Q2215-T2217 PolarHBondContact O-N 3.44Å
2218	N	27.6	Very low	28.5	Very low	129.8 Å²	129.8	131.9 Å²	131.9	69%	0.694	71%	0.712	S	S	*	*				103	131.4	126.5	-97.4	2.7	0	0	0	116.8	Q2220	N2218-Q2220 PolarHBondContact O-N 2.86Å
2219	E	26.5	Very low	28.3	Very low	162.6 Å²	162.6	129.8 Å²	129.8	76%	0.76	71%	0.706	S	S	*	*			trans	-44.7	138.2	166.8	-69.1	172.5	-178.9	0	0	115.8	I2222	E2219-I2222 HydrophobicContact CB-CD1 4.12Å
2220	Q	29.5	Very low	28.2	Very low	135.6 Å²	135.6	129.8 Å²	129.8	63%	0.634	70%	0.704	S	S	*	*			trans	167.2	58.9	-172.3	-91.3	168.9	11.6	0	0	114.5	S2109 N2110 N2218 I2222 N2223 D2224	S2109-Q2220 PolarHBondContact OG-OE1 2.78Å; N2110-Q2220 PolarHBondContact OD1-NE2 2.72Å; N2218-Q2220 PolarHBondContact O-N 2.86Å; Q2220-I2222 HydrophobicContact CB-CB 4.48Å; Q2220-I2222 HydrophobicContact CB-CD1 4.48Å; Q2220-I2222 HydrophobicContact CG-CD1 4.01Å; Q2220-I2222 PolarHBondContact O-N 3.21Å; Q2220-I2222 VanDerWaalsContact O-N 3.08Å; Q2220-N2223 PolarHBondContact O-N 2.94Å; Q2220-N2223 VanDerWaalsContact O-N 3.08Å; Q2220-N2223 PolarHBondContact OE1-ND2 3.32Å; Q2220-D2224 PolarHBondContact O-N 2.74Å
2221	I	32.4	Very low	28.1	Very low	149.2 Å²	149.2	127.9 Å²	127.9	77%	0.765	70%	0.699	S	S	*	*			trans	-85.6	64.1	155	-66.2	162.2	0	0	0	112.6
2222	I	28.5	Very low	28.1	Very low	130.6 Å²	130.6	127.2 Å²	127.2	67%	0.67	70%	0.698	S	S	*	*			trans	-121.2	107.7	-163.9	-71.6	175.9	0	0	0	111.2	E2219 Q2220	E2219-I2222 HydrophobicContact CB-CD1 4.12Å; Q2220-I2222 HydrophobicContact CB-CB 4.48Å; Q2220-I2222 HydrophobicContact CB-CD1 4.48Å; Q2220-I2222 HydrophobicContact CG-CD1 4.01Å; Q2220-I2222 PolarHBondContact O-N 3.21Å; Q2220-I2222 VanDerWaalsContact O-N 3.08Å
2223	N	27.9	Very low	28.1	Very low	114.6 Å²	114.6	126.1 Å²	126.1	61%	0.613	69%	0.694	S	S	*	*			trans	-38.5	14.7	-175.7	-61.6	-39.9	0	0	0	116.4	Q2220 L2225 L2226	Q2220-N2223 PolarHBondContact O-N 2.94Å; Q2220-N2223 VanDerWaalsContact O-N 3.08Å; Q2220-N2223 PolarHBondContact OE1-ND2 3.32Å; N2223-L2225 VanDerWaalsContact CA-N 3.27Å; N2223-L2225 HydrophobicContact CB-CD1 4.26Å; N2223-L2225 WeakPolarHBondContact O-CB 3.42Å; N2223-L2225 PolarHBondContact O-N 3.21Å; N2223-L2226 PolarHBondContact O-N 2.84Å; N2223-L2226 VanDerWaalsContact O-N 3.16Å
2224	D	31.3	Very low	28.2	Very low	143.6 Å²	143.6	127.8 Å²	127.8	77%	0.768	69%	0.694	S	S	*	*			trans	-101.9	51	134	-101.7	-16.6	0	0	0	109.8	Q2220 N2228 T2814	Q2220-D2224 PolarHBondContact O-N 2.74Å; D2224-N2228 PolarHBondContact O-ND2 3.32Å; D2224-T2814 CarbonylContact C-O 3.56Å
2225	L	30.8	Very low	28.3	Very low	130.2 Å²	130.2	130 Å²	130	68%	0.682	70%	0.696	S	S	*	*				-114.1	21.6	100.5	-146.8	103	0	0	0	111.5	N2223 T2813 T2814	N2223-L2225 VanDerWaalsContact CA-N 3.27Å; N2223-L2225 HydrophobicContact CB-CD1 4.26Å; N2223-L2225 WeakPolarHBondContact O-CB 3.42Å; N2223-L2225 PolarHBondContact O-N 3.21Å; L2225-T2813 PolarHBondContact N-O 2.85Å; L2225-T2814 CarbonylContact C-O 3.6Å; L2225-T2814 VanDerWaalsContact C-O 3.25Å; L2225-T2814 PolarHBondContact N-O 3.49Å
2226	L	27.9	Very low	28.3	Very low	130.8 Å²	130.8	127 Å²	127	69%	0.685	69%	0.689	S	S	*	*	S	Bend	trans	-170	103.3	150.8	-139.5	102	0	0	0	113.7	N2223 N2228 T2813 T2814	N2223-L2226 PolarHBondContact O-N 2.84Å; N2223-L2226 VanDerWaalsContact O-N 3.16Å; L2226-N2228 PolarHBondContact O-N 2.66Å; L2226-T2813 VanDerWaalsContact N-C 3.26Å; L2226-T2813 CarbonylContact O-C 3.51Å; L2226-T2813 WeakPolarHBondContact O-CA 3.41Å; L2226-T2814 PolarHBondContact N-O 3.44Å; L2226-T2814 PolarHBondContact O-N 3Å
2227	L	28.2	Very low	28.2	Very low	137.6 Å²	137.6	128.5 Å²	128.5	72%	0.72	69%	0.693	S	S	*	*			trans	127.1	81.9	168	-130	80.9	0	0	0	115.9	A2229 T2815	L2227-A2229 HydrophobicContact CD2-CB 4.21Å; L2227-A2229 HydrophobicContact CG-CB 4.35Å; L2227-A2229 WeakPolarHBondContact O-CB 3.42Å; L2227-A2229 PolarHBondContact O-N 2.96Å; L2227-A2229 VanDerWaalsContact O-N 3.08Å; L2227-T2815 PolarHBondContact N-OG1 2.78Å; L2227-T2815 PolarHBondContact O-OG1 3.46Å
2228	N	28	Very low	28.2	Very low	148.2 Å²	148.2	133.1 Å²	133.1	79%	0.793	70%	0.7	S	S	*	*			trans	14	89.2	140.5	-83.2	-22.6	0	0	0	114.6	D2224 L2226 T2815	D2224-N2228 PolarHBondContact O-ND2 3.32Å; L2226-N2228 PolarHBondContact O-N 2.66Å; N2228-T2815 VanDerWaalsContact N-CG2 3.28Å; N2228-T2815 PolarHBondContact O-OG1 3.36Å
2229	A	25.9	Very low	28.3	Very low	68.8 Å²	68.8	133.5 Å²	133.5	57%	0.569	70%	0.701	S	S	*	*				149.6	96.7	62.3	0	0	0	0	0	113.3	L2227 L2253	L2227-A2229 HydrophobicContact CD2-CB 4.21Å; L2227-A2229 HydrophobicContact CG-CB 4.35Å; L2227-A2229 WeakPolarHBondContact O-CB 3.42Å; L2227-A2229 PolarHBondContact O-N 2.96Å; L2227-A2229 VanDerWaalsContact O-N 3.08Å; A2229-L2253 HydrophobicContact CB-CD1 4.49Å; A2229-L2253 WeakPolarHBondContact O-CD2 3.2Å
2230	I	27.3	Very low	28.3	Very low	141 Å²	141	132 Å²	132	72%	0.723	70%	0.698	S	S	*	*			trans	107.2	120.2	138.5	-78.6	158.4	0	0	0	113.6	L2253	I2230-L2253 HydrophobicContact CB-CB 4.46Å; I2230-L2253 HydrophobicContact CB-CD1 4.05Å; I2230-L2253 HydrophobicContact CB-CD2 3.86Å; I2230-L2253 HydrophobicContact CB-CG 4.3Å; I2230-L2253 HydrophobicContact CD1-CD1 4.34Å; I2230-L2253 HydrophobicContact CG2-CB 3.66Å; I2230-L2253 HydrophobicContact CG2-CD1 4.05Å; I2230-L2253 HydrophobicContact CG2-CD2 3.95Å; I2230-L2253 HydrophobicContact CG2-CG 4.04Å; I2230-L2253 WeakPolarHBondContact O-CD2 3.26Å
2231	T	27.8	Very low	28.2	Very low	113.2 Å²	113.2	132 Å²	132	69%	0.694	71%	0.708	S	S	*	*			trans	52.9	146.3	149.8	56.6	0	0	0	0	118.7	I2254 N2255	T2231-I2254 PolarHBondContact OG1-N 2.96Å; T2231-I2254 VanDerWaalsContact OG1-N 3.14Å; T2231-N2255 PolarHBondContact OG1-N 2.69Å
2232	S	28	Very low	28.1	Very low	98.4 Å²	98.4	128.3 Å²	128.3	69%	0.688	71%	0.706	S	S	*	*				100.8	130.3	117.3	-138.3	0	0	0	0	112.6
2233	D	28.3	Very low	28	Very low	130 Å²	130	128.5 Å²	128.5	70%	0.695	71%	0.708	S	S	*	*				160.3	143.2	75.8	-101.3	5.1	0	0	0	116.3
2234	Q	29.2	Very low	27.9	Very low	149.2 Å²	149.2	131.4 Å²	131.4	70%	0.697	72%	0.716	S	S	*	*			trans	-178.1	129.2	159.9	-63	-107.2	-25.2	0	0	115.6	T2236	Q2234-T2236 PolarHBondContact O-N 2.78Å
2235	M	24.8	Very low	27.6	Very low	152 Å²	152	131.5 Å²	131.5	75%	0.749	72%	0.715	S	S	*	*				63.6	110.2	127.3	-77	-153.5	-162.7	0	0	119.9	T2077	T2077-M2235 HydrophobicContact CG2-CE 3.91Å
2236	T	27.3	Very low	27.4	Very low	107.2 Å²	107.2	129.5 Å²	129.5	66%	0.658	71%	0.712	S	S	*	*				157.6	138.4	64.7	38.1	0	0	0	0	114.8	L2075 Q2234	L2075-T2236 HydrophobicContact CD2-CG2 4.02Å; Q2234-T2236 PolarHBondContact O-N 2.78Å
2237	N	27.7	Very low	27.5	Very low	121.4 Å²	121.4	129.8 Å²	129.8	65%	0.649	71%	0.714	S	S	*	*			trans	162.2	133.2	132.6	-89.1	-21.1	0	0	0	115.6
2238	Y	28.3	Very low	27.4	Very low	201.2 Å²	201.2	129.4 Å²	129.4	79%	0.789	71%	0.713	S	S	*	*			trans	61.3	116	137.4	-74	-70.8	0	0	0	118.3
2239	L	27.8	Very low	27.4	Very low	138.2 Å²	138.2	129.1 Å²	129.1	72%	0.724	71%	0.711	S	S	*	*				91.9	148	115.1	-86	131.8	0	0	0	115.3	Y2074	Y2074-L2239 HydrophobicContact CE1-CD1 4.14Å
2240	N	26.6	Very low	27.5	Very low	131.2 Å²	131.2	131.3 Å²	131.3	70%	0.702	72%	0.718	S	S	*	*				158.2	156	126.4	-119.9	-2.7	0	0	0	114.2
2241	T	28.6	Very low	27.6	Very low	135.8 Å²	135.8	130.2 Å²	130.2	83%	0.833	72%	0.718	S	S	*	*			trans	75.4	141.3	155.7	55.9	0	0	0	0	115.7
2242	G	29	Very low	27.5	Very low	70.4 Å²	70.4	131.6 Å²	131.6	73%	0.726	72%	0.721	S	S	*	*			trans	147.2	83.8	154.5	0	0	0	0	0	113.7
2243	N	26.3	Very low	27.6	Very low	135 Å²	135	132.6 Å²	132.6	72%	0.722	72%	0.718	S	S	*	*			trans	24.4	133.5	161	-101.8	7	0	0	0	116.7
2244	F	25.9	Very low	27.5	Very low	175.4 Å²	175.4	132.7 Å²	132.7	77%	0.769	72%	0.717	S	S	*	*				139.7	137.9	125.9	-83.5	-64.5	0	0	0	115.7
2245	I	26.9	Very low	27.5	Very low	146.2 Å²	146.2	131.4 Å²	131.4	75%	0.75	72%	0.715	S	S	*	*			trans	64	105.4	132.7	-62.4	165.5	0	0	0	116.8
2246	S	26.1	Very low	27.6	Very low	87.6 Å²	87.6	130.5 Å²	130.5	61%	0.613	71%	0.713	S	S	*	*				140.8	160.9	110.2	62.4	0	0	0	0	116.4
2247	N	29.1	Very low	27.7	Very low	137 Å²	137	131 Å²	131	73%	0.733	72%	0.716	S	S	*	*			trans	92.3	109	146.5	-66.9	-17.2	0	0	0	117.7
2248	N	27.2	Very low	27.6	Very low	130.2 Å²	130.2	130.3 Å²	130.3	70%	0.696	72%	0.72	S	S	*	*				43	108.5	109.8	-58.7	-0.4	0	0	0	117.4
2249	N	28	Very low	27.5	Very low	142.2 Å²	142.2	125.2 Å²	125.2	76%	0.76	71%	0.714	S	S	*	*				-177.8	142.3	106.1	-87.7	-23.6	0	0	0	112
2250	T	26.9	Very low	27.6	Very low	114.8 Å²	114.8	125.8 Å²	125.8	70%	0.704	72%	0.717	S	S	*	*				58.7	98.2	117	60	0	0	0	0	117.4
2251	T	29.2	Very low	27.6	Very low	117.2 Å²	117.2	126.5 Å²	126.5	72%	0.719	72%	0.72	S	S	*	*				161.2	124.7	115.1	46.6	0	0	0	0	114
2252	D	27.2	Very low	27.5	Very low	142.4 Å²	142.4	124.5 Å²	124.5	76%	0.761	71%	0.712	S	S	*	*			trans	88.4	118.5	135	-75.2	-17.9	0	0	0	116.6
2253	L	28.7	Very low	27.5	Very low	120.8 Å²	120.8	126.7 Å²	126.7	63%	0.632	71%	0.711	S	S	*	*				173.3	135.9	102.7	-88.6	123.3	0	0	0	114.4	A2229 I2230	A2229-L2253 HydrophobicContact CB-CD1 4.49Å; A2229-L2253 WeakPolarHBondContact O-CD2 3.2Å; I2230-L2253 HydrophobicContact CB-CB 4.46Å; I2230-L2253 HydrophobicContact CB-CD1 4.05Å; I2230-L2253 HydrophobicContact CB-CD2 3.86Å; I2230-L2253 HydrophobicContact CB-CG 4.3Å; I2230-L2253 HydrophobicContact CD1-CD1 4.34Å; I2230-L2253 HydrophobicContact CG2-CB 3.66Å; I2230-L2253 HydrophobicContact CG2-CD1 4.05Å; I2230-L2253 HydrophobicContact CG2-CD2 3.95Å; I2230-L2253 HydrophobicContact CG2-CG 4.04Å; I2230-L2253 WeakPolarHBondContact O-CD2 3.26Å
2254	I	27.7	Very low	27.6	Very low	130.4 Å²	130.4	130.2 Å²	130.2	67%	0.669	72%	0.716	S	S	*	*			trans	62.8	105.2	140.4	-59.9	171	0	0	0	117	T2231	T2231-I2254 PolarHBondContact OG1-N 2.96Å; T2231-I2254 VanDerWaalsContact OG1-N 3.14Å
2255	N	28	Very low	27.6	Very low	123.2 Å²	123.2	128.5 Å²	128.5	66%	0.659	71%	0.714	S	S	*	*			trans	86.2	135.6	131.7	-72.1	-25.2	0	0	0	117.4	T2231	T2231-N2255 PolarHBondContact OG1-N 2.69Å
2256	N	27.1	Very low	27.6	Very low	132.2 Å²	132.2	127.7 Å²	127.7	71%	0.707	71%	0.711	S	S	*	*				172.8	121.8	114.3	-105	-21.3	0	0	0	116.1	S2259	N2256-S2259 PolarHBondContact OD1-O 2.64Å
2257	V	28.6	Very low	27.7	Very low	117.4 Å²	117.4	129 Å²	129	71%	0.712	72%	0.716	S	S	*	*			trans	27.1	123.5	142.1	175.2	0	0	0	0	115.9	S2259	V2257-S2259 PolarHBondContact O-N 3.09Å; V2257-S2259 PolarHBondContact O-OG 3.11Å
2258	S	25.9	Very low	27.7	Very low	106.8 Å²	106.8	130.2 Å²	130.2	75%	0.747	72%	0.719	S	S	*	*			trans	49.7	127.4	143.2	61.7	0	0	0	0	117.8
2259	S	27.3	Very low	27.8	Very low	93.8 Å²	93.8	130.8 Å²	130.8	66%	0.656	72%	0.722	S	S	*	*			trans	160.2	148.9	148.3	38.6	0	0	0	0	113.7	N2256 V2257	N2256-S2259 PolarHBondContact OD1-O 2.64Å; V2257-S2259 PolarHBondContact O-N 3.09Å; V2257-S2259 PolarHBondContact O-OG 3.11Å
2260	I	29	Very low	27.9	Very low	151.6 Å²	151.6	130.8 Å²	130.8	78%	0.777	72%	0.721	S	S	*	*				98.8	115.4	118.1	-64.3	164.2	0	0	0	114.1
2261	N	26.3	Very low	28.3	Very low	145.8 Å²	145.8	130.5 Å²	130.5	78%	0.78	72%	0.721	S	S	*	*			trans	27.2	141	134.8	-100.8	-5.3	0	0	0	116.4
2262	S	26.6	Very low	28.3	Very low	93.6 Å²	93.6	131.7 Å²	131.7	66%	0.655	72%	0.723	S	S	*	*			trans	99.6	147.2	139.6	64.2	0	0	0	0	114.1
2263	T	29.5	Very low	28.4	Very low	116.6 Å²	116.6	129.4 Å²	129.4	72%	0.715	72%	0.718	S	S	*	*				160.4	148.8	70.2	2.1	0	0	0	0	112.7
2264	Y	27.5	Very low	28.5	Very low	209.8 Å²	209.8	131.7 Å²	131.7	82%	0.823	73%	0.726	S	S	*	*				-150.1	123.4	117.8	-102.1	-104.9	0	0	0	113.2
2265	L	27.5	Very low	28.6	Very low	138.4 Å²	138.4	132 Å²	132	73%	0.725	73%	0.727	S	S	*	*			trans	152.1	139.9	134.4	-85.6	173.1	0	0	0	111.5
2266	N	26.5	Very low	28.5	Very low	130.2 Å²	130.2	133.3 Å²	133.3	70%	0.696	73%	0.733	S	S	*	*			trans	72.9	133	150	-79.3	-16	0	0	0	117.3
2267	T	28.1	Very low	28.6	Very low	114.2 Å²	114.2	131.4 Å²	131.4	70%	0.701	73%	0.73	S	S	*	*				157.3	142.6	104	29.7	0	0	0	0	113.7
2268	M	28.5	Very low	28.7	Very low	163 Å²	163	132.2 Å²	132.2	80%	0.803	73%	0.73	S	S	*	*				102.6	147.5	87.7	-71.7	-166.9	-174.7	0	0	113.3	L2270	M2268-L2270 HydrophobicContact CB-CD1 4.35Å
2269	N	30.1	Very low	28.9	Very low	143.4 Å²	143.4	133.5 Å²	133.5	77%	0.767	73%	0.727	S	S	*	*			cis	-172.7	139.1	45.8	-116.1	0.7	0	0	0	113.6
2270	L	30	Very low	29	Very low	140.4 Å²	140.4	134.7 Å²	134.7	74%	0.735	73%	0.731	S	S	*	*			trans	-76.3	162.3	153.2	-102.6	91.2	0	0	0	114.5	M2268	M2268-L2270 HydrophobicContact CB-CD1 4.35Å
2271	P	35.2	Very low	29.1	Very low	109.8 Å²	109.8	133.7 Å²	133.7	71%	0.713	73%	0.727	S	S	*	*			cis	-122.1	163.2	36	30.8	-16.5	0	0	0	115.9
2272	N	28.6	Very low	29.3	Very low	142.4 Å²	142.4	133.1 Å²	133.1	76%	0.761	72%	0.724	S	S	*	*				-164.4	150.8	91.4	-103.9	-11.5	0	0	0	116.1
2273	S	30	Very low	29.4	Very low	93 Å²	93	136 Å²	136	65%	0.65	73%	0.732	S	S	*	*			trans	-31	149.8	139.5	56.2	0	0	0	0	116.2
2274	Q	29.9	Very low	29.6	Very low	170.4 Å²	170.4	135.1 Å²	135.1	80%	0.796	73%	0.731	S	S	*	*				-178.9	157.8	66.6	-93.4	172.6	-8.8	0	0	110.9
2275	I	30.3	Very low	29.9	Very low	136 Å²	136	131.8 Å²	131.8	70%	0.697	73%	0.727	S	S	*	*				154.1	134.3	79.4	-81.2	162	0	0	0	111.1
2276	I	27.1	Very low	30	Very low	150 Å²	150	132.3 Å²	132.3	77%	0.769	73%	0.729	S	S	*	*				75.9	136.9	126.4	-71.8	168.4	0	0	0	113.5
2277	S	29.1	Very low	30.3	Very low	92.4 Å²	92.4	131.4 Å²	131.4	65%	0.646	73%	0.73	S	S	*	*				157.5	147.5	51.9	53.5	0	0	0	0	114.8
2278	D	30.6	Very low	30.3	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	73%	0.734	S	S	*	*				157.6	120.6	88	-87.9	-22.2	0	0	0	116.1
2279	I	29.2	Very low	30.4	Very low	134.8 Å²	134.8	135 Å²	135	69%	0.691	73%	0.73	S	S	*	*				63.8	110.1	119.9	-61.6	169.8	0	0	0	118.9
2280	T	29.2	Very low	30.3	Very low	119 Å²	119	134.2 Å²	134.2	73%	0.73	73%	0.726	S	S	*	*			trans	71.4	130.5	139.7	47.1	0	0	0	0	117.9
2281	N	31.1	Very low	30.3	Very low	130.4 Å²	130.4	133.3 Å²	133.3	70%	0.697	73%	0.727	S	S	*	*				97.4	134.4	120.9	-83.5	-25.3	0	0	0	118.8
2282	N	31.7	Very low	30	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	73%	0.726	S	S	*	*			trans	79.3	117	133.2	-72.3	-22.8	0	0	0	119.2
2283	N	27.9	Very low	30	Very low	153 Å²	153	133.4 Å²	133.4	82%	0.818	73%	0.728	S	S	*	*			trans	19.4	123.1	141.8	-74.6	-19.9	0	0	0	116.7
2284	S	32.7	Very low	30.3	Very low	98.6 Å²	98.6	134.2 Å²	134.2	69%	0.69	73%	0.731	S	S	*	*				164.8	145.1	126.6	52.9	0	0	0	0	114.2
2285	N	34.3	Very low	30.2	Very low	140.4 Å²	140.4	133.8 Å²	133.8	75%	0.751	73%	0.734	S	S	*	*			trans	110.6	117.9	139.7	-70.6	-35.4	0	0	0	114.9
2286	I	29.4	Very low	30.2	Very low	148.4 Å²	148.4	130.4 Å²	130.4	76%	0.761	73%	0.733	S	S	*	*				42.6	128.6	99	-61.3	170.3	0	0	0	112.9	R2288	I2286-R2288 HydrophobicContact CG2-CB 4.5Å
2287	P	33.9	Very low	30.3	Very low	111.6 Å²	111.6	131 Å²	131	73%	0.725	74%	0.738	S	S	*	*			cis	-145	169.7	30.1	37.6	-16.9	0	0	0	117.3
2288	R	27.3	Very low	30.3	Very low	207.6 Å²	207.6	132.1 Å²	132.1	78%	0.783	75%	0.745	S	S	*	*			trans	78.7	138.4	138.2	-103.6	174.4	100.7	173.9	-3.7	117.2	I2286	I2286-R2288 HydrophobicContact CG2-CB 4.5Å
2289	M	30.9	Very low	30.2	Very low	144.4 Å²	144.4	130.2 Å²	130.2	71%	0.711	74%	0.743	S	S	*	*				156.5	130.9	108.8	-83.9	-177.6	-171.6	0	0	113.6
2290	N	26.8	Very low	30.1	Very low	126.8 Å²	126.8	130.4 Å²	130.4	68%	0.678	75%	0.75	S	S	*	*				22.1	130.7	109.6	-64.4	3	0	0	0	113.9
2291	T	30.6	Very low	30.2	Very low	123 Å²	123	131.2 Å²	131.2	76%	0.755	75%	0.75	S	S	*	*				168.6	147.7	102.9	43	0	0	0	0	113.8
2292	S	29.8	Very low	30.2	Very low	100 Å²	100	132 Å²	132	70%	0.699	75%	0.754	S	S	*	*			trans	152.4	136.3	167.4	50.3	0	0	0	0	116.5
2293	L	28.7	Very low	30.4	Very low	153.2 Å²	153.2	132.2 Å²	132.2	80%	0.802	75%	0.754	S	S	*	*			trans	60	166.4	136.9	-99.8	75.9	0	0	0	113.3
2294	P	35.3	Very low	30.7	Very low	111 Å²	111	128.8 Å²	128.8	72%	0.721	74%	0.735	S	S	*	*			cis	-124.8	158.5	-46.8	36.9	-20.3	0	0	0	115.7
2295	D	28.2	Very low	31	Very low	160.8 Å²	160.8	128.6 Å²	128.6	86%	0.86	73%	0.732	S	S	*	*			trans	-54.8	153.6	155.1	-52.7	-54.9	0	0	0	114.1
2296	G	30.6	Very low	31.2	Very low	65.8 Å²	65.8	128.1 Å²	128.1	68%	0.678	73%	0.725	S	S	*	*			trans	167.6	86.6	136.6	0	0	0	0	0	114.5
2297	N	29.2	Very low	32	Very low	161.2 Å²	161.2	124.3 Å²	124.3	86%	0.862	71%	0.712	S	S	*	*			trans	41.9	122.2	175.6	-54.7	-11.4	0	0	0	116.7
2298	S	28.2	Very low	32.8	Very low	115.6 Å²	115.6	123.1 Å²	123.1	81%	0.808	70%	0.698	S	S	*	*				151.1	139.5	113.8	63.2	0	0	0	0	113.3
2299	S	28.9	Very low	34	Very low	95.2 Å²	95.2	118 Å²	118	67%	0.666	69%	0.687	S	S	*	*			trans	-117.1	119.6	135.5	61	0	0	0	0	114.8	D2301	S2299-D2301 WeakPolarHBondContact CA-OD2 3.29Å; S2299-D2301 VanDerWaalsContact CB-OD2 3.25Å; S2299-D2301 WeakPolarHBondContact CB-OD2 3.36Å; S2299-D2301 PolarHBondContact O-N 3.1Å; S2299-D2301 PolarHBondContact OG-OD2 3.12Å
2300	V	28.1	Very low	35.5	Very low	138.2 Å²	138.2	115.8 Å²	115.8	84%	0.838	68%	0.677	S	S	*	*			trans	-77.6	109.9	134.8	-179.9	0	0	0	0	108	N2302	V2300-N2302 PolarHBondContact O-N 3.03Å
2301	D	31	Very low	36.8	Very low	135.2 Å²	135.2	114.9 Å²	114.9	72%	0.723	67%	0.671	S	S	*	*			trans	-123.9	134.9	167.1	-86.8	-50.6	0	0	0	110.6	S2299 I2303	S2299-D2301 WeakPolarHBondContact CA-OD2 3.29Å; S2299-D2301 VanDerWaalsContact CB-OD2 3.25Å; S2299-D2301 WeakPolarHBondContact CB-OD2 3.36Å; S2299-D2301 PolarHBondContact O-N 3.1Å; S2299-D2301 PolarHBondContact OG-OD2 3.12Å; D2301-I2303 PolarHBondContact O-N 3.34Å
2302	N	31.5	Very low	38.5	Very low	147 Å²	147	111.8 Å²	111.8	79%	0.786	65%	0.65	S	S	*	*			trans	-70.6	125.4	171.8	-65.7	-49.3	0	0	0	113.1	V2300 N2304	V2300-N2302 PolarHBondContact O-N 3.03Å; N2302-N2304 VanDerWaalsContact C-N 3.3Å; N2302-N2304 PolarHBondContact O-N 3.1Å; N2302-N2304 VanDerWaalsContact O-N 3.14Å
2303	I	34.1	Very low	40.2	Very low	138.6 Å²	138.6	112 Å²	112	71%	0.711	64%	0.64	S	S	*	*			trans	-83.7	119.8	151.5	-62.8	173.6	0	0	0	108.3	D2301 P2305 I2308	D2301-I2303 PolarHBondContact O-N 3.34Å; I2303-P2305 WeakPolarHBondContact O-CD 3.39Å; I2303-I2308 HydrophobicContact CG2-CD1 4.12Å; I2303-I2308 HydrophobicContact CG2-CG1 4.07Å
2304	N	35.1	Very low	41.8	Very low	81.4 Å²	81.4	109.9 Å²	109.9	44%	0.435	63%	0.626	S	S	.	*			trans	-48.1	131.5	175.7	-167.4	9	0	0	0	112.6	N2302 E2306 S2307	N2302-N2304 VanDerWaalsContact C-N 3.3Å; N2302-N2304 PolarHBondContact O-N 3.1Å; N2302-N2304 VanDerWaalsContact O-N 3.14Å; N2304-E2306 VanDerWaalsContact C-N 3.31Å; N2304-E2306 PolarHBondContact ND2-OE2 3.02Å; N2304-E2306 PolarHBondContact O-N 3.1Å; N2304-E2306 VanDerWaalsContact O-N 3.15Å; N2304-E2306 WeakPolarHBondContact OD1-CB 3.47Å; N2304-E2306 WeakPolarHBondContact OD1-CG 3.36Å; N2304-E2306 PolarHBondContact OD1-N 3.04Å; N2304-E2306 VanDerWaalsContact OD1-N 3.1Å; N2304-S2307 WeakPolarHBondContact O-CA 3.27Å; N2304-S2307 VanDerWaalsContact O-CB 3.28Å; N2304-S2307 WeakPolarHBondContact O-CB 3.34Å; N2304-S2307 PolarHBondContact O-N 3.21Å; N2304-S2307 VanDerWaalsContact O-N 3.17Å; N2304-S2307 PolarHBondContact O-OG 3.46Å
2305	P	38.1	Very low	43.2	Very low	96 Å²	96	108.6 Å²	108.6	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-62.1	-20.7	178.1	22.7	-32.3	0	0	0	113.2	I2303 S2307 I2308 D2309	I2303-P2305 WeakPolarHBondContact O-CD 3.39Å; P2305-S2307 PolarHBondContact O-N 2.93Å; P2305-S2307 VanDerWaalsContact O-N 3.09Å; P2305-I2308 PolarHBondContact O-N 3.11Å; P2305-I2308 VanDerWaalsContact O-N 3.08Å; P2305-D2309 PolarHBondContact O-N 3.05Å; P2305-D2309 VanDerWaalsContact O-N 3.11Å
2306	E	40.1	Very low	44.8	Very low	128.2 Å²	128.2	106.8 Å²	106.8	60%	0.599	60%	0.596	S	S	*	*	H	α-helix	trans	-67.8	-22.4	175.5	-62.3	-178.5	134.2	0	0	113.2	N2304 I2308 D2309 I2310	N2304-E2306 VanDerWaalsContact C-N 3.31Å; N2304-E2306 PolarHBondContact ND2-OE2 3.02Å; N2304-E2306 PolarHBondContact O-N 3.1Å; N2304-E2306 VanDerWaalsContact O-N 3.15Å; N2304-E2306 WeakPolarHBondContact OD1-CB 3.47Å; N2304-E2306 WeakPolarHBondContact OD1-CG 3.36Å; N2304-E2306 PolarHBondContact OD1-N 3.04Å; N2304-E2306 VanDerWaalsContact OD1-N 3.1Å; E2306-I2308 VanDerWaalsContact C-N 3.3Å; E2306-I2308 PolarHBondContact O-N 2.96Å; E2306-D2309 PolarHBondContact O-N 3.03Å; E2306-I2310 VanDerWaalsContact O-CB 3.28Å; E2306-I2310 WeakPolarHBondContact O-CB 3.38Å; E2306-I2310 WeakPolarHBondContact O-CD1 3.36Å; E2306-I2310 VanDerWaalsContact O-CG1 3.29Å; E2306-I2310 WeakPolarHBondContact O-CG1 3.41Å; E2306-I2310 PolarHBondContact O-N 2.91Å
2307	S	46.3	Very low	46.4	Very low	68.8 Å²	68.8	110.1 Å²	110.1	48%	0.481	59%	0.592	S	S	.	*	H	α-helix	trans	-72.2	-18.8	179.4	-57.3	0	0	0	0	113.5	N2304 P2305 L2311	N2304-S2307 WeakPolarHBondContact O-CA 3.27Å; N2304-S2307 VanDerWaalsContact O-CB 3.28Å; N2304-S2307 WeakPolarHBondContact O-CB 3.34Å; N2304-S2307 PolarHBondContact O-N 3.21Å; N2304-S2307 VanDerWaalsContact O-N 3.17Å; N2304-S2307 PolarHBondContact O-OG 3.46Å; P2305-S2307 PolarHBondContact O-N 2.93Å; P2305-S2307 VanDerWaalsContact O-N 3.09Å; S2307-L2311 PolarHBondContact O-N 3.22Å
2308	I	49.4	Very low	47.6	Very low	87.2 Å²	87.2	107.8 Å²	107.8	45%	0.447	58%	0.579	S	S	.	*	H	α-helix	trans	-84.5	-44.5	174.7	-66.8	176.4	0	0	0	109.8	I2303 P2305 E2306 I2310 L2311 I2312 T2843	I2303-I2308 HydrophobicContact CG2-CD1 4.12Å; I2303-I2308 HydrophobicContact CG2-CG1 4.07Å; P2305-I2308 PolarHBondContact O-N 3.11Å; P2305-I2308 VanDerWaalsContact O-N 3.08Å; E2306-I2308 VanDerWaalsContact C-N 3.3Å; E2306-I2308 PolarHBondContact O-N 2.96Å; I2308-I2310 VanDerWaalsContact C-N 3.33Å; I2308-I2310 PolarHBondContact O-N 3.08Å; I2308-L2311 WeakPolarHBondContact O-CB 3.39Å; I2308-L2311 PolarHBondContact O-N 2.99Å; I2308-L2311 VanDerWaalsContact O-N 3.1Å; I2308-I2312 HydrophobicContact CG2-CD1 3.76Å; I2308-I2312 HydrophobicContact CG2-CG1 4.37Å; I2308-I2312 WeakPolarHBondContact O-CB 3.25Å; I2308-I2312 VanDerWaalsContact O-CG1 3.29Å; I2308-I2312 WeakPolarHBondContact O-CG1 3.38Å; I2308-I2312 PolarHBondContact O-N 3.26Å; I2308-T2843 HydrophobicContact CG2-CG2 4.49Å
2309	D	52.4	Low	48.7	Very low	99.8 Å²	99.8	106.6 Å²	106.6	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-37	177.5	-73.9	-43.9	0	0	0	112.6	P2305 E2306 L2311 I2312 E2313	P2305-D2309 PolarHBondContact O-N 3.05Å; P2305-D2309 VanDerWaalsContact O-N 3.11Å; E2306-D2309 PolarHBondContact O-N 3.03Å; D2309-L2311 VanDerWaalsContact C-N 3.3Å; D2309-L2311 PolarHBondContact O-N 3.07Å; D2309-I2312 PolarHBondContact O-N 3.07Å; D2309-E2313 VanDerWaalsContact O-CB 3.3Å; D2309-E2313 WeakPolarHBondContact O-CB 3.32Å; D2309-E2313 PolarHBondContact O-N 3.06Å
2310	I	62	Low	49.7	Very low	97.8 Å²	97.8	107.3 Å²	107.3	50%	0.502	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-39.8	173.5	-69.7	167.2	0	0	0	111.3	E2306 I2308 E2313 Q2314	E2306-I2310 VanDerWaalsContact O-CB 3.28Å; E2306-I2310 WeakPolarHBondContact O-CB 3.38Å; E2306-I2310 WeakPolarHBondContact O-CD1 3.36Å; E2306-I2310 VanDerWaalsContact O-CG1 3.29Å; E2306-I2310 WeakPolarHBondContact O-CG1 3.41Å; E2306-I2310 PolarHBondContact O-N 2.91Å; I2308-I2310 VanDerWaalsContact C-N 3.33Å; I2308-I2310 PolarHBondContact O-N 3.08Å; I2310-E2313 PolarHBondContact O-N 2.97Å; I2310-Q2314 HydrophobicContact CG2-CG 4.49Å; I2310-Q2314 WeakPolarHBondContact O-CB 3.42Å; I2310-Q2314 VanDerWaalsContact O-CG 3.28Å; I2310-Q2314 WeakPolarHBondContact O-CG 3.38Å; I2310-Q2314 PolarHBondContact O-N 3.04Å; I2310-Q2314 VanDerWaalsContact O-N 3.17Å
2311	L	55.9	Low	50.6	Low	108.4 Å²	108.4	107 Å²	107	57%	0.568	55%	0.549	S	S	*	.	H	α-helix	trans	-69.2	-41.9	176.6	-116.4	132.4	0	0	0	111.7	S2307 I2308 D2309 E2313 Q2314 V2315	S2307-L2311 PolarHBondContact O-N 3.22Å; I2308-L2311 WeakPolarHBondContact O-CB 3.39Å; I2308-L2311 PolarHBondContact O-N 2.99Å; I2308-L2311 VanDerWaalsContact O-N 3.1Å; D2309-L2311 VanDerWaalsContact C-N 3.3Å; D2309-L2311 PolarHBondContact O-N 3.07Å; L2311-E2313 VanDerWaalsContact C-N 3.33Å; L2311-E2313 PolarHBondContact O-N 3.02Å; L2311-Q2314 PolarHBondContact O-N 3.14Å; L2311-V2315 WeakPolarHBondContact O-CB 3.31Å; L2311-V2315 WeakPolarHBondContact O-CG2 3.41Å; L2311-V2315 PolarHBondContact O-N 3.16Å
2312	I	65.7	Low	50.9	Low	58.4 Å²	58.4	107.6 Å²	107.6	30%	0.299	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-41.7	175.9	-69.2	171.4	0	0	0	110.7	I2308 D2309 V2315 R2316	I2308-I2312 HydrophobicContact CG2-CD1 3.76Å; I2308-I2312 HydrophobicContact CG2-CG1 4.37Å; I2308-I2312 WeakPolarHBondContact O-CB 3.25Å; I2308-I2312 VanDerWaalsContact O-CG1 3.29Å; I2308-I2312 WeakPolarHBondContact O-CG1 3.38Å; I2308-I2312 PolarHBondContact O-N 3.26Å; D2309-I2312 PolarHBondContact O-N 3.07Å; I2312-V2315 PolarHBondContact O-N 3.11Å; I2312-R2316 HydrophobicContact CG2-CG 4.44Å; I2312-R2316 VanDerWaalsContact CG2-CZ 3.47Å; I2312-R2316 VanDerWaalsContact O-CB 3.3Å; I2312-R2316 WeakPolarHBondContact O-CB 3.39Å; I2312-R2316 WeakPolarHBondContact O-CG 3.36Å; I2312-R2316 PolarHBondContact O-N 3.07Å
2313	E	66	Low	51.3	Low	104.4 Å²	104.4	105.8 Å²	105.8	49%	0.488	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-37.1	177.1	-140.1	19	166.7	0	0	112.2	D2309 I2310 L2311 V2315 R2316 K2317	D2309-E2313 VanDerWaalsContact O-CB 3.3Å; D2309-E2313 WeakPolarHBondContact O-CB 3.32Å; D2309-E2313 PolarHBondContact O-N 3.06Å; I2310-E2313 PolarHBondContact O-N 2.97Å; L2311-E2313 VanDerWaalsContact C-N 3.33Å; L2311-E2313 PolarHBondContact O-N 3.02Å; E2313-V2315 VanDerWaalsContact C-N 3.33Å; E2313-V2315 PolarHBondContact O-N 3.01Å; E2313-R2316 PolarHBondContact O-N 3.04Å; E2313-R2316 WeakPolarHBondContact OE2-CD 3.34Å; E2313-R2316 IonicContact OE2-CZ 3.48Å; E2313-R2316 IonicContact OE2-NE 3.12Å; E2313-R2316 IonicContact OE2-NH1 3.25Å; E2313-R2316 PolarHBondContact OE2-NH1 3.01Å; E2313-K2317 VanDerWaalsContact O-CB 3.24Å; E2313-K2317 WeakPolarHBondContact O-CB 3.38Å; E2313-K2317 PolarHBondContact O-N 3.2Å
2314	Q	62.4	Low	51.4	Low	109.8 Å²	109.8	107.4 Å²	107.4	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-42.5	171.9	-75.8	174.8	0.8	0	0	112	I2310 L2311 K2317 L2318	I2310-Q2314 HydrophobicContact CG2-CG 4.49Å; I2310-Q2314 WeakPolarHBondContact O-CB 3.42Å; I2310-Q2314 VanDerWaalsContact O-CG 3.28Å; I2310-Q2314 WeakPolarHBondContact O-CG 3.38Å; I2310-Q2314 PolarHBondContact O-N 3.04Å; I2310-Q2314 VanDerWaalsContact O-N 3.17Å; L2311-Q2314 PolarHBondContact O-N 3.14Å; Q2314-K2317 WeakPolarHBondContact O-CB 3.26Å; Q2314-K2317 PolarHBondContact O-N 2.9Å; Q2314-L2318 WeakPolarHBondContact O-CG 3.4Å; Q2314-L2318 PolarHBondContact O-N 3.03Å; Q2314-L2318 VanDerWaalsContact O-N 3.15Å
2315	V	64.4	Low	51.2	Low	82 Å²	82	108.7 Å²	108.7	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-43.2	175.5	171.7	0	0	0	0	111.5	L2311 I2312 E2313 K2317 L2318 L2319	L2311-V2315 WeakPolarHBondContact O-CB 3.31Å; L2311-V2315 WeakPolarHBondContact O-CG2 3.41Å; L2311-V2315 PolarHBondContact O-N 3.16Å; I2312-V2315 PolarHBondContact O-N 3.11Å; E2313-V2315 VanDerWaalsContact C-N 3.33Å; E2313-V2315 PolarHBondContact O-N 3.01Å; V2315-K2317 VanDerWaalsContact C-N 3.29Å; V2315-K2317 PolarHBondContact O-N 3.09Å; V2315-L2318 PolarHBondContact O-N 3.02Å; V2315-L2319 HydrophobicContact CG1-CD1 4.22Å; V2315-L2319 WeakPolarHBondContact O-CB 3Å; V2315-L2319 WeakPolarHBondContact O-CD1 3.42Å; V2315-L2319 PolarHBondContact O-N 3.22Å; V2315-L2319 VanDerWaalsContact O-N 3.15Å
2316	R	62.2	Low	50.9	Low	123.4 Å²	123.4	111.1 Å²	111.1	47%	0.466	56%	0.561	S	S	.	*	H	α-helix	trans	-60.3	-37.2	173.9	-75.3	-178.4	-174.6	138.4	4.8	112.3	I2312 E2313 L2319 N2320 T2846 T2848	I2312-R2316 HydrophobicContact CG2-CG 4.44Å; I2312-R2316 VanDerWaalsContact CG2-CZ 3.47Å; I2312-R2316 VanDerWaalsContact O-CB 3.3Å; I2312-R2316 WeakPolarHBondContact O-CB 3.39Å; I2312-R2316 WeakPolarHBondContact O-CG 3.36Å; I2312-R2316 PolarHBondContact O-N 3.07Å; E2313-R2316 PolarHBondContact O-N 3.04Å; E2313-R2316 WeakPolarHBondContact OE2-CD 3.34Å; E2313-R2316 IonicContact OE2-CZ 3.48Å; E2313-R2316 IonicContact OE2-NE 3.12Å; E2313-R2316 IonicContact OE2-NH1 3.25Å; E2313-R2316 PolarHBondContact OE2-NH1 3.01Å; R2316-L2319 PolarHBondContact O-N 2.86Å; R2316-N2320 VanDerWaalsContact O-CB 3.26Å; R2316-N2320 WeakPolarHBondContact O-CB 3.32Å; R2316-N2320 VanDerWaalsContact O-CG 3.27Å; R2316-N2320 PolarHBondContact O-N 3.12Å; R2316-N2320 PolarHBondContact O-ND2 3.12Å; R2316-T2846 VanDerWaalsContact NH2-CB 3.27Å; R2316-T2846 PolarHBondContact NH2-OG1 2.94Å; R2316-T2848 PolarHBondContact NE-OG1 3.04Å; R2316-T2848 PolarHBondContact NH2-OG1 3.36Å
2317	K	64.4	Low	50.4	Low	135.4 Å²	135.4	112.4 Å²	112.4	59%	0.589	57%	0.572	S	S	*	*	H	α-helix	trans	-66.2	-44.2	177.3	-140.8	177.7	-178.3	179.5	0	112	E2313 Q2314 V2315 L2319 N2320 E2321	E2313-K2317 VanDerWaalsContact O-CB 3.24Å; E2313-K2317 WeakPolarHBondContact O-CB 3.38Å; E2313-K2317 PolarHBondContact O-N 3.2Å; Q2314-K2317 WeakPolarHBondContact O-CB 3.26Å; Q2314-K2317 PolarHBondContact O-N 2.9Å; V2315-K2317 VanDerWaalsContact C-N 3.29Å; V2315-K2317 PolarHBondContact O-N 3.09Å; K2317-L2319 PolarHBondContact O-N 2.88Å; K2317-N2320 CarbonylContact O-C 3.53Å; K2317-N2320 PolarHBondContact O-N 2.92Å; K2317-E2321 WeakPolarHBondContact O-CB 3.27Å; K2317-E2321 VanDerWaalsContact O-CG 3.31Å; K2317-E2321 WeakPolarHBondContact O-CG 3.34Å; K2317-E2321 PolarHBondContact O-N 3.07Å; K2317-E2321 VanDerWaalsContact O-N 3.15Å
2318	L	53.5	Low	49.6	Very low	113 Å²	113	116.4 Å²	116.4	59%	0.592	59%	0.586	S	S	*	*	H	α-helix	trans	-64.8	-42.2	176.5	-70.4	169.3	0	0	0	112.2	Q2314 V2315 N2320 E2321 Q2322	Q2314-L2318 WeakPolarHBondContact O-CG 3.4Å; Q2314-L2318 PolarHBondContact O-N 3.03Å; Q2314-L2318 VanDerWaalsContact O-N 3.15Å; V2315-L2318 PolarHBondContact O-N 3.02Å; L2318-N2320 VanDerWaalsContact C-N 3.32Å; L2318-N2320 PolarHBondContact O-N 3.15Å; L2318-E2321 PolarHBondContact O-N 3.08Å; L2318-E2321 VanDerWaalsContact O-N 3.13Å; L2318-Q2322 WeakPolarHBondContact O-CG 3.47Å; L2318-Q2322 PolarHBondContact O-N 2.9Å
2319	L	52.3	Low	48.6	Very low	89.8 Å²	89.8	119.2 Å²	119.2	47%	0.47	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-35.5	175.8	-111.7	70.7	0	0	0	112.5	V2315 R2316 K2317 E2321 Q2322 N2323 T2594	V2315-L2319 HydrophobicContact CG1-CD1 4.22Å; V2315-L2319 WeakPolarHBondContact O-CB 3Å; V2315-L2319 WeakPolarHBondContact O-CD1 3.42Å; V2315-L2319 PolarHBondContact O-N 3.22Å; V2315-L2319 VanDerWaalsContact O-N 3.15Å; R2316-L2319 PolarHBondContact O-N 2.86Å; K2317-L2319 PolarHBondContact O-N 2.88Å; L2319-E2321 VanDerWaalsContact C-N 3.3Å; L2319-E2321 PolarHBondContact O-N 3.1Å; L2319-E2321 VanDerWaalsContact O-N 3.17Å; L2319-Q2322 PolarHBondContact O-N 3.21Å; L2319-N2323 VanDerWaalsContact O-CB 3.32Å; L2319-N2323 WeakPolarHBondContact O-CB 3.47Å; L2319-N2323 VanDerWaalsContact O-CG 3.25Å; L2319-N2323 PolarHBondContact O-N 3.08Å; L2319-N2323 PolarHBondContact O-ND2 2.87Å; L2319-N2323 PolarHBondContact O-OD1 3.39Å; L2319-N2323 VanDerWaalsContact O-OD1 3.09Å; L2319-T2594 HydrophobicContact CB-CG2 4.12Å; L2319-T2594 HydrophobicContact CD2-CG2 3.7Å
2320	N	49.1	Very low	47.6	Very low	110 Å²	110	119.7 Å²	119.7	59%	0.588	61%	0.61	S	S	*	*	H	α-helix	trans	-76.3	-17.1	178.2	-81	-30.6	0	0	0	114.1	R2316 K2317 L2318 K2324	R2316-N2320 VanDerWaalsContact O-CB 3.26Å; R2316-N2320 WeakPolarHBondContact O-CB 3.32Å; R2316-N2320 VanDerWaalsContact O-CG 3.27Å; R2316-N2320 PolarHBondContact O-N 3.12Å; R2316-N2320 PolarHBondContact O-ND2 3.12Å; K2317-N2320 CarbonylContact O-C 3.53Å; K2317-N2320 PolarHBondContact O-N 2.92Å; L2318-N2320 VanDerWaalsContact C-N 3.32Å; L2318-N2320 PolarHBondContact O-N 3.15Å; N2320-K2324 WeakPolarHBondContact O-CB 3.48Å; N2320-K2324 PolarHBondContact O-N 3.23Å
2321	E	46	Very low	46	Very low	131.6 Å²	131.6	122.1 Å²	122.1	62%	0.615	62%	0.623	S	S	*	*	H	α-helix	trans	-86.6	-23.7	173.5	-73.1	-178.3	179.1	0	0	112.4	K2317 L2318 L2319 K2324 C2325	K2317-E2321 WeakPolarHBondContact O-CB 3.27Å; K2317-E2321 VanDerWaalsContact O-CG 3.31Å; K2317-E2321 WeakPolarHBondContact O-CG 3.34Å; K2317-E2321 PolarHBondContact O-N 3.07Å; K2317-E2321 VanDerWaalsContact O-N 3.15Å; L2318-E2321 PolarHBondContact O-N 3.08Å; L2318-E2321 VanDerWaalsContact O-N 3.13Å; L2319-E2321 VanDerWaalsContact C-N 3.3Å; L2319-E2321 PolarHBondContact O-N 3.1Å; L2319-E2321 VanDerWaalsContact O-N 3.17Å; E2321-K2324 WeakPolarHBondContact O-CB 3.24Å; E2321-K2324 PolarHBondContact O-N 2.91Å; E2321-C2325 PolarHBondContact O-SG 3.44Å; E2321-C2325 VanDerWaalsContact O-SG 3.33Å
2322	Q	38.7	Very low	44.8	Very low	148.6 Å²	148.6	122.7 Å²	122.7	69%	0.694	63%	0.631	S	S	*	*	H	α-helix	trans	-78.4	-31.6	172.7	-76.4	-176	-51.3	0	0	113.3	L2318 L2319 K2324 C2325	L2318-Q2322 WeakPolarHBondContact O-CG 3.47Å; L2318-Q2322 PolarHBondContact O-N 2.9Å; L2319-Q2322 PolarHBondContact O-N 3.21Å; Q2322-K2324 PolarHBondContact O-N 3.03Å; Q2322-C2325 PolarHBondContact O-N 3.1Å
2323	N	38.7	Very low	43	Very low	109 Å²	109	124.9 Å²	124.9	58%	0.583	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	21.2	-179.5	-73.7	-31.9	0	0	0	114.3	L2319 E2592 H2593	L2319-N2323 VanDerWaalsContact O-CB 3.32Å; L2319-N2323 WeakPolarHBondContact O-CB 3.47Å; L2319-N2323 VanDerWaalsContact O-CG 3.25Å; L2319-N2323 PolarHBondContact O-N 3.08Å; L2319-N2323 PolarHBondContact O-ND2 2.87Å; L2319-N2323 PolarHBondContact O-OD1 3.39Å; L2319-N2323 VanDerWaalsContact O-OD1 3.09Å; N2323-E2592 WeakPolarHBondContact CB-OE2 3.27Å; N2323-E2592 VanDerWaalsContact ND2-CB 3.33Å; N2323-E2592 WeakPolarHBondContact ND2-CB 3.47Å; N2323-H2593 PolarHBondContact ND2-O 3.32Å
2324	K	37.7	Very low	41.2	Very low	172.6 Å²	172.6	126.5 Å²	126.5	75%	0.75	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	34.8	177.1	-137	169.5	-176.3	174.1	0	114.5	N2320 E2321 Q2322 T2857	N2320-K2324 WeakPolarHBondContact O-CB 3.48Å; N2320-K2324 PolarHBondContact O-N 3.23Å; E2321-K2324 WeakPolarHBondContact O-CB 3.24Å; E2321-K2324 PolarHBondContact O-N 2.91Å; Q2322-K2324 PolarHBondContact O-N 3.03Å; K2324-T2857 PolarHBondContact NZ-OG1 2.91Å
2325	C	31	Very low	39.8	Very low	107.6 Å²	107.6	128 Å²	128	73%	0.727	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	5.2	171.6	-68.8	0	0	0	0	112.5	E2321 Q2322 L2327	E2321-C2325 PolarHBondContact O-SG 3.44Å; E2321-C2325 VanDerWaalsContact O-SG 3.33Å; Q2322-C2325 PolarHBondContact O-N 3.1Å; C2325-L2327 VanDerWaalsContact C-N 3.32Å; C2325-L2327 PolarHBondContact O-N 3.03Å; C2325-L2327 VanDerWaalsContact O-N 3.09Å
2326	D	30.5	Very low	38.1	Very low	146.4 Å²	146.4	131.2 Å²	131.2	78%	0.783	69%	0.688	S	S	*	*			trans	-92.1	95.6	166.1	-68.4	-51.6	0	0	0	112.4
2327	L	29.6	Very low	36.6	Very low	156.8 Å²	156.8	132.2 Å²	132.2	82%	0.821	70%	0.701	S	S	*	*			trans	-152.5	78.1	148.7	-143.6	75.8	0	0	0	113.1	C2325	C2325-L2327 VanDerWaalsContact C-N 3.32Å; C2325-L2327 PolarHBondContact O-N 3.03Å; C2325-L2327 VanDerWaalsContact O-N 3.09Å
2328	I	30.1	Very low	34.9	Very low	152.6 Å²	152.6	132.6 Å²	132.6	78%	0.783	71%	0.71	S	S	*	*			trans	-127.1	114.2	157.7	-59.1	173.1	0	0	0	113.2
2329	N	27.6	Very low	33.8	Very low	145.2 Å²	145.2	133.5 Å²	133.5	78%	0.776	71%	0.714	S	S	*	*			trans	-120.5	162.5	158.9	-100.8	-33.1	0	0	0	110.6	I2331	N2329-I2331 PolarHBondContact O-N 3.46Å; N2329-I2331 VanDerWaalsContact O-N 3.13Å
2330	P	32	Very low	32.8	Very low	110.2 Å²	110.2	135.9 Å²	135.9	72%	0.716	73%	0.727	S	S	*	*			trans	-102.5	147.9	179.8	32.5	-23.4	0	0	0	112.2
2331	I	28.5	Very low	32	Very low	148.8 Å²	148.8	136.5 Å²	136.5	76%	0.763	73%	0.73	S	S	*	*			trans	178.7	121.9	145.6	-68.9	168.1	0	0	0	111.8	N2329 S2333	N2329-I2331 PolarHBondContact O-N 3.46Å; N2329-I2331 VanDerWaalsContact O-N 3.13Å; I2331-S2333 PolarHBondContact O-N 3.13Å; I2331-S2333 VanDerWaalsContact O-N 3.11Å
2332	T	30.1	Very low	31.5	Very low	121.2 Å²	121.2	136.1 Å²	136.1	74%	0.744	73%	0.732	S	S	*	*			trans	-67.4	122.9	173.3	49.5	0	0	0	0	113.1	I2334	T2332-I2334 PolarHBondContact O-N 2.92Å
2333	S	28.2	Very low	31.3	Very low	103.8 Å²	103.8	135 Å²	135	73%	0.726	73%	0.731	S	S	*	*			trans	-103.3	125	150.1	50.5	0	0	0	0	112.4	I2331 N2335	I2331-S2333 PolarHBondContact O-N 3.13Å; I2331-S2333 VanDerWaalsContact O-N 3.11Å; S2333-N2335 PolarHBondContact O-N 3.38Å
2334	I	29.1	Very low	31.2	Very low	138.4 Å²	138.4	135.7 Å²	135.7	71%	0.71	74%	0.735	S	S	*	*			trans	-129.6	105.8	168.5	-62.4	172.7	0	0	0	113	T2332	T2332-I2334 PolarHBondContact O-N 2.92Å
2335	N	31.3	Very low	31	Very low	141 Å²	141	134 Å²	134	75%	0.754	73%	0.734	S	S	*	*			trans	126	139.4	135	-81.6	-28.3	0	0	0	116	S2333 I2337	S2333-N2335 PolarHBondContact O-N 3.38Å; N2335-I2337 PolarHBondContact O-N 2.89Å
2336	N	29.8	Very low	31	Very low	150.8 Å²	150.8	134.5 Å²	134.5	81%	0.806	73%	0.734	S	S	*	*			trans	-77.2	125.8	155.6	-69.8	-25.4	0	0	0	114.3
2337	I	29.8	Very low	31	Very low	143.6 Å²	143.6	133 Å²	133	74%	0.736	73%	0.731	S	S	*	*				-33.9	117.4	125.9	-57.8	173.1	0	0	0	112.4	N2335 I2339	N2335-I2337 PolarHBondContact O-N 2.89Å; I2337-I2339 HydrophobicContact CG2-CD1 3.95Å; I2337-I2339 HydrophobicContact CG2-CG1 4.13Å
2338	N	29.8	Very low	31	Very low	143.6 Å²	143.6	132.3 Å²	132.3	77%	0.768	73%	0.726	S	S	*	*			trans	-153.4	132.9	139.1	-129.2	-0.2	0	0	0	109.8
2339	I	29.9	Very low	31	Very low	131.6 Å²	131.6	130.4 Å²	130.4	68%	0.675	72%	0.722	S	S	*	*			trans	87.7	121.8	131	-75.9	162.7	0	0	0	111.9	I2337	I2337-I2339 HydrophobicContact CG2-CD1 3.95Å; I2337-I2339 HydrophobicContact CG2-CG1 4.13Å
2340	N	31	Very low	31.1	Very low	139.8 Å²	139.8	128.7 Å²	128.7	75%	0.748	72%	0.717	S	S	*	*			trans	90.2	146.9	148.8	-101	15	0	0	0	115.9	N2342	N2340-N2342 PolarHBondContact O-N 3.25Å
2341	D	33.4	Very low	31	Very low	122.4 Å²	122.4	129.3 Å²	129.3	66%	0.655	72%	0.718	S	S	*	*				-119.3	140.3	76.2	-98.5	-34.5	0	0	0	114
2342	N	34.4	Very low	31.1	Very low	124.4 Å²	124.4	129.1 Å²	129.1	67%	0.665	72%	0.717	S	S	*	*				70.6	132.8	129.7	-78.8	-53.5	0	0	0	121.8	N2340	N2340-N2342 PolarHBondContact O-N 3.25Å
2343	N	34.8	Very low	31.1	Very low	124.6 Å²	124.6	128.3 Å²	128.3	67%	0.666	72%	0.717	S	S	*	*			trans	73.8	111	136.3	-67.7	-27.7	0	0	0	121.4
2344	N	36.1	Very low	31.2	Very low	123.6 Å²	123.6	128.3 Å²	128.3	66%	0.661	72%	0.717	S	S	*	*				95.5	118.8	108.6	-64.8	-22.4	0	0	0	119.6
2345	N	33.1	Very low	31.3	Very low	137.4 Å²	137.4	126.9 Å²	126.9	74%	0.735	72%	0.719	S	S	*	*				74.5	137.9	128.3	-64.1	-7.5	0	0	0	121.1
2346	T	32.4	Very low	31.3	Very low	117.4 Å²	117.4	125.3 Å²	125.3	72%	0.72	72%	0.719	S	S	*	*				119.2	121.8	101.9	33.3	0	0	0	0	116.6
2347	T	30.2	Very low	31.4	Very low	116.8 Å²	116.8	123.4 Å²	123.4	72%	0.717	72%	0.718	S	S	*	*				81.3	145.3	124.8	9.3	0	0	0	0	119.1
2348	I	30.3	Very low	31.7	Very low	141.4 Å²	141.4	124 Å²	124	73%	0.725	72%	0.719	S	S	*	*			trans	97.2	122.1	132.1	-66.1	162.6	0	0	0	117.3
2349	T	29.3	Very low	32.1	Very low	113 Å²	113	121.6 Å²	121.6	69%	0.693	71%	0.711	S	S	*	*				84	147	105.4	15.6	0	0	0	0	117.6
2350	T	29.4	Very low	32.2	Very low	109 Å²	109	122.2 Å²	122.2	67%	0.669	72%	0.715	S	S	*	*				99	137.5	120.7	31.1	0	0	0	0	117.2	I2352	T2350-I2352 HydrophobicContact CG2-CD1 3.99Å; T2350-I2352 HydrophobicContact CG2-CG1 4.18Å
2351	T	30	Very low	32.3	Very low	122.2 Å²	122.2	121.9 Å²	121.9	75%	0.75	71%	0.714	S	S	*	*				152.1	143.8	96.5	31.9	0	0	0	0	117
2352	I	31.2	Very low	32.2	Very low	145.4 Å²	145.4	122.7 Å²	122.7	75%	0.746	72%	0.718	S	S	*	*			trans	43.8	120.1	136.2	-60.2	170.3	0	0	0	116.7	T2350	T2350-I2352 HydrophobicContact CG2-CD1 3.99Å; T2350-I2352 HydrophobicContact CG2-CG1 4.18Å
2353	S	29.4	Very low	32.5	Very low	103.4 Å²	103.4	121.3 Å²	121.3	72%	0.723	72%	0.715	S	S	*	*			trans	77.2	141.2	131.9	10.6	0	0	0	0	118.3
2354	S	30.2	Very low	32.3	Very low	105.2 Å²	105.2	122.7 Å²	122.7	74%	0.736	72%	0.722	S	S	*	*			cis	136.7	138.1	3.7	61.3	0	0	0	0	114.4
2355	S	31.1	Very low	32	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	73%	0.726	S	S	*	*			trans	84	137.2	153.1	67.1	0	0	0	0	119.9
2356	S	31	Very low	32	Very low	107.2 Å²	107.2	122.2 Å²	122.2	75%	0.75	73%	0.726	S	S	*	*				117.6	125.9	104.6	55.2	0	0	0	0	118.2
2357	S	32.8	Very low	32	Very low	111.6 Å²	111.6	121.4 Å²	121.4	78%	0.78	73%	0.726	S	S	*	*			trans	167.6	125.2	141.2	53.6	0	0	0	0	115
2358	M	35.2	Very low	32	Very low	157 Å²	157	123 Å²	123	77%	0.773	73%	0.729	S	S	*	*				83.5	149.5	96.6	-82.5	-91.5	135.9	0	0	115.8	M2380 E2382	M2358-M2380 VanDerWaalsContact O-CE 3.26Å; M2358-M2380 WeakPolarHBondContact O-CE 3.35Å; M2358-E2382 HydrophobicContact CE-CB 3.94Å; M2358-E2382 HydrophobicContact CE-CG 4.17Å; M2358-E2382 WeakPolarHBondContact CE-OE1 3.48Å; M2358-E2382 WeakPolarHBondContact CE-OE2 3.35Å
2359	P	39.6	Very low	32.2	Very low	91.8 Å²	91.8	121.2 Å²	121.2	60%	0.596	73%	0.726	S	S	*	*				-136.1	-166.5	-62.2	35.7	-14.9	0	0	0	114.6	M2380	P2359-M2380 HydrophobicContact CB-CB 4.31Å; P2359-M2380 HydrophobicContact CB-CE 3.99Å; P2359-M2380 HydrophobicContact CB-CG 3.96Å; P2359-M2380 HydrophobicContact CB-SD 3.83Å
2360	L	31.1	Very low	32.1	Very low	145.6 Å²	145.6	120.5 Å²	120.5	76%	0.762	73%	0.726	S	S	*	*			trans	170.7	124.5	143.5	-78.9	112.1	0	0	0	116.7
2361	N	33.1	Very low	32.2	Very low	133 Å²	133	120 Å²	120	71%	0.711	73%	0.727	S	S	*	*				60.3	107.7	123.4	-64.2	-0.4	0	0	0	122.4
2362	N	32.1	Very low	32.2	Very low	138.2 Å²	138.2	120.9 Å²	120.9	74%	0.739	73%	0.726	S	S	*	*				56	158.8	106	-117.3	16.7	0	0	0	117.4	D1900 H1901	D1900-N2362 PolarHBondContact OD2-ND2 2.88Å; H1901-N2362 PolarHBondContact NE2-OD1 2.84Å; H1901-N2362 VanDerWaalsContact NE2-OD1 3.09Å
2363	P	39.5	Very low	32.2	Very low	94.8 Å²	94.8	121.3 Å²	121.3	62%	0.616	72%	0.724	S	S	*	*				-137.7	-170.1	-52.6	36.6	-15.6	0	0	0	115.8
2364	L	30.4	Very low	32.2	Very low	155.2 Å²	155.2	123.5 Å²	123.5	81%	0.813	72%	0.723	S	S	*	*			trans	83	149.9	152.4	-73	169.3	0	0	0	118.3
2365	I	30.8	Very low	32	Very low	145.2 Å²	145.2	124.1 Å²	124.1	75%	0.745	72%	0.723	S	S	*	*				-168.2	137.5	111.5	-100.8	163.1	0	0	0	114.9
2366	S	32	Very low	31.9	Very low	104.6 Å²	104.6	123.1 Å²	123.1	73%	0.731	72%	0.716	S	S	*	*			trans	74.3	155.4	155.5	68.2	0	0	0	0	119.5
2367	S	32.4	Very low	31.8	Very low	101.8 Å²	101.8	126.5 Å²	126.5	71%	0.712	72%	0.72	S	S	*	*			cis	-167	149	-17.9	47.5	0	0	0	0	114.6
2368	L	31.5	Very low	31.5	Very low	148.6 Å²	148.6	125.8 Å²	125.8	78%	0.778	72%	0.715	S	S	*	*			trans	28.9	163.4	130.5	-100.1	72.9	0	0	0	115.3
2369	P	33.3	Very low	31.2	Very low	104.4 Å²	104.4	124.9 Å²	124.9	68%	0.678	71%	0.712	S	S	*	*			cis	-129.9	168.1	-8.4	36	-17.6	0	0	0	115.8
2370	S	28.2	Very low	30.6	Very low	98.6 Å²	98.6	127.6 Å²	127.6	69%	0.69	72%	0.718	S	S	*	*				55.9	118.9	111.7	-11.9	0	0	0	0	119.6
2371	S	30.8	Very low	30.5	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	71%	0.711	S	S	*	*			trans	173	146.3	146.7	61.1	0	0	0	0	112.9
2372	I	29.9	Very low	30.1	Very low	141.2 Å²	141.2	126.9 Å²	126.9	72%	0.724	71%	0.714	S	S	*	*				105.6	127.4	87.5	-84.2	164.7	0	0	0	113.3
2373	H	31.5	Very low	30	Very low	153.4 Å²	153.4	125.8 Å²	125.8	71%	0.71	71%	0.708	S	S	*	*				108.6	149.3	117.9	-96.6	-73.7	0	0	0	114.2
2374	Q	29	Very low	29.5	Very low	148.4 Å²	148.4	128.6 Å²	128.6	69%	0.693	71%	0.71	S	S	*	*				83.3	139.3	100.4	-82.7	172.9	-30	0	0	115
2375	T	27.4	Very low	29.4	Very low	119.4 Å²	119.4	128.1 Å²	128.1	73%	0.733	71%	0.707	S	S	*	*				95.7	147.1	96.2	40.2	0	0	0	0	115.5
2376	S	27.9	Very low	29.3	Very low	85.8 Å²	85.8	128.7 Å²	128.7	60%	0.6	71%	0.706	S	S	*	*			cis	176.6	143.2	44.6	-95.4	0	0	0	0	113.4
2377	Q	28.7	Very low	29.2	Very low	178.4 Å²	178.4	130.6 Å²	130.6	83%	0.834	71%	0.708	S	S	*	*			trans	58	146.8	139.5	-62.9	168	8.3	0	0	118.2	I2379	Q2377-I2379 HydrophobicContact CB-CD1 4.05Å; Q2377-I2379 HydrophobicContact CB-CG1 4.25Å
2378	S	27.2	Very low	29.1	Very low	97.8 Å²	97.8	130.8 Å²	130.8	68%	0.684	71%	0.707	S	S	*	*			cis	-176.1	142.9	23.3	-149.5	0	0	0	0	110.7
2379	I	27.9	Very low	29	Very low	137.6 Å²	137.6	129.6 Å²	129.6	71%	0.706	71%	0.706	S	S	*	*				74.1	118.7	117.9	-63.3	167.3	0	0	0	114	Q2377	Q2377-I2379 HydrophobicContact CB-CD1 4.05Å; Q2377-I2379 HydrophobicContact CB-CG1 4.25Å
2380	M	27.4	Very low	28.7	Very low	147.8 Å²	147.8	130.4 Å²	130.4	73%	0.728	71%	0.705	S	S	*	*				88.3	133.5	122.1	-65.3	-136.4	-135.1	0	0	113	M2358 P2359	M2358-M2380 VanDerWaalsContact O-CE 3.26Å; M2358-M2380 WeakPolarHBondContact O-CE 3.35Å; P2359-M2380 HydrophobicContact CB-CB 4.31Å; P2359-M2380 HydrophobicContact CB-CE 3.99Å; P2359-M2380 HydrophobicContact CB-CG 3.96Å; P2359-M2380 HydrophobicContact CB-SD 3.83Å
2381	T	28.6	Very low	28.7	Very low	99.2 Å²	99.2	131.4 Å²	131.4	61%	0.609	70%	0.701	S	S	*	*				106.8	136.8	52.3	44.2	0	0	0	0	113.3
2382	E	26.4	Very low	28.6	Very low	166 Å²	166	135.4 Å²	135.4	78%	0.776	70%	0.702	S	S	*	*				62	123.7	125.7	-92.1	162.5	176.4	0	0	117.3	M2358	M2358-E2382 HydrophobicContact CE-CB 3.94Å; M2358-E2382 HydrophobicContact CE-CG 4.17Å; M2358-E2382 WeakPolarHBondContact CE-OE1 3.48Å; M2358-E2382 WeakPolarHBondContact CE-OE2 3.35Å
2383	D	29.7	Very low	28.5	Very low	115.6 Å²	115.6	133.2 Å²	133.2	62%	0.618	70%	0.698	S	S	*	*				162.1	141.6	105.1	-122.3	10.7	0	0	0	116.6
2384	K	29.4	Very low	28.3	Very low	153 Å²	153	132 Å²	132	67%	0.665	70%	0.697	S	S	*	*			trans	69.6	126.1	141.6	-83.4	168.9	-171.8	91.2	0	118.2
2385	I	28.1	Very low	28.2	Very low	143.8 Å²	143.8	130.5 Å²	130.5	74%	0.737	69%	0.694	S	S	*	*				64.6	123.3	101.9	-62.6	169.2	0	0	0	115.6
2386	Q	28.9	Very low	28.2	Very low	158 Å²	158	133.3 Å²	133.3	74%	0.738	69%	0.692	S	S	*	*				151.5	134.7	126.3	-146.8	57.6	8	0	0	114.8	P2388	Q2386-P2388 HydrophobicContact CB-CG 4.46Å; Q2386-P2388 HydrophobicContact CG-CG 3.99Å; Q2386-P2388 WeakPolarHBondContact O-CD 3.17Å
2387	N	29.6	Very low	28.2	Very low	144.2 Å²	144.2	136.5 Å²	136.5	77%	0.771	70%	0.698	S	S	*	*			trans	-40.6	126.7	160.4	-123	-2.4	0	0	0	115	V2389	N2387-V2389 PolarHBondContact OD1-N 3.01Å
2388	P	29.5	Very low	28.3	Very low	106 Å²	106	136.7 Å²	136.7	69%	0.688	70%	0.696	S	S	*	*			trans	-117.2	142	141.2	33.4	-21	0	0	0	113.2	Q2386	Q2386-P2388 HydrophobicContact CB-CG 4.46Å; Q2386-P2388 HydrophobicContact CG-CG 3.99Å; Q2386-P2388 WeakPolarHBondContact O-CD 3.17Å
2389	V	29	Very low	28.4	Very low	124.4 Å²	124.4	136.6 Å²	136.6	75%	0.754	70%	0.695	S	S	*	*				76.3	120.6	113.2	-179	0	0	0	0	114	N2387	N2387-V2389 PolarHBondContact OD1-N 3.01Å
2390	D	27	Very low	28.4	Very low	121.8 Å²	121.8	137.2 Å²	137.2	65%	0.651	70%	0.699	S	S	*	*			trans	84.6	116.6	136.3	-94.8	-33.1	0	0	0	117.1	T2748	D2390-T2748 WeakPolarHBondContact O-CG2 3.33Å
2391	I	28.9	Very low	28.6	Very low	118 Å²	118	138.8 Å²	138.8	61%	0.605	70%	0.702	S	S	*	*			trans	-136.6	110.8	155.1	-63.5	176.3	0	0	0	113.9	T2748 T2749 T2751	I2391-T2748 WeakPolarHBondContact O-CG2 3.35Å; I2391-T2749 HydrophobicContact CB-CG2 3.89Å; I2391-T2749 HydrophobicContact CG2-CG2 3.78Å; I2391-T2749 VanDerWaalsContact O-CA 3.31Å; I2391-T2749 WeakPolarHBondContact O-CA 3.45Å; I2391-T2749 WeakPolarHBondContact O-CB 3.29Å; I2391-T2749 WeakPolarHBondContact O-CG2 3.32Å; I2391-T2751 HydrophobicContact CG2-CG2 4.49Å
2392	Y	28.1	Very low	28.5	Very low	183.8 Å²	183.8	139.6 Å²	139.6	72%	0.721	71%	0.709	S	S	*	*			trans	43.5	140.8	145.6	-87.6	-82.5	0	0	0	117.2	N2394 T2750	Y2392-N2394 VanDerWaalsContact CE1-OD1 3.26Å; Y2392-N2394 WeakPolarHBondContact CE1-OD1 3.48Å; Y2392-T2750 PolarHBondContact O-N 2.83Å
2393	C	27.4	Very low	28.6	Very low	94.4 Å²	94.4	139.3 Å²	139.3	64%	0.638	71%	0.711	S	S	*	*				-118.9	126.1	56.6	-100.7	0	0	0	0	117.7
2394	N	27.8	Very low	28.5	Very low	129 Å²	129	141.2 Å²	141.2	69%	0.69	72%	0.716	S	S	*	*			trans	45.2	123.7	141.1	-82.3	-28.2	0	0	0	118.2	Y2392	Y2392-N2394 VanDerWaalsContact CE1-OD1 3.26Å; Y2392-N2394 WeakPolarHBondContact CE1-OD1 3.48Å
2395	N	27.3	Very low	28.4	Very low	116.6 Å²	116.6	139 Å²	139	62%	0.624	71%	0.711	S	S	*	*				161.9	130.8	128.8	-96.4	-24.1	0	0	0	115.8
2396	Y	28.4	Very low	28.4	Very low	178.8 Å²	178.8	140.4 Å²	140.4	70%	0.701	72%	0.715	S	S	*	*			trans	58.9	111.4	159.6	-79.2	-72.3	0	0	0	116.1	K2398	Y2396-K2398 HydrophobicContact CD1-CD 4.27Å; Y2396-K2398 HydrophobicContact CD1-CG 4.29Å; Y2396-K2398 PolarHBondContact O-N 2.87Å; Y2396-K2398 VanDerWaalsContact O-N 3.11Å
2397	Q	27.8	Very low	28.4	Very low	152 Å²	152	137.7 Å²	137.7	71%	0.71	71%	0.713	S	S	*	*				36.9	126.3	125	-102.9	-176.9	-4.6	0	0	116.6	S2399	Q2397-S2399 PolarHBondContact O-N 3.08Å
2398	K	30.6	Very low	28.4	Very low	183.4 Å²	183.4	138.1 Å²	138.1	80%	0.797	71%	0.714	S	S	*	*			trans	176.1	141.6	155	-77.2	156.7	178.2	164.3	0	111.6	Y2396	Y2396-K2398 HydrophobicContact CD1-CD 4.27Å; Y2396-K2398 HydrophobicContact CD1-CG 4.29Å; Y2396-K2398 PolarHBondContact O-N 2.87Å; Y2396-K2398 VanDerWaalsContact O-N 3.11Å
2399	S	28.3	Very low	28.3	Very low	95.6 Å²	95.6	139.5 Å²	139.5	67%	0.669	72%	0.715	S	S	*	*			cis	-153.4	149.9	10	-176	0	0	0	0	111.9	Q2397 K2401	Q2397-S2399 PolarHBondContact O-N 3.08Å; S2399-K2401 PolarHBondContact O-N 3.19Å
2400	L	29	Very low	28.4	Very low	149.8 Å²	149.8	141.7 Å²	141.7	78%	0.784	72%	0.718	S	S	*	*			trans	66.5	129.1	158.9	-63.4	140	0	0	0	114.7
2401	K	30.1	Very low	28.7	Very low	180.5 Å²	180.5	141.6 Å²	141.6	79%	0.785	72%	0.721	S	S	*	*				-159.1	139.2	72	-101.6	173	-177.6	178.7	0	113.4	S2399	S2399-K2401 PolarHBondContact O-N 3.19Å
2402	P	27.9	Very low	28.7	Very low	117.5 Å²	117.5	142.1 Å²	142.1	76%	0.763	73%	0.725	S	S	*	*			trans	-87.1	157.6	172.6	35.9	-34.3	0	0	0	112.2
2403	I	27.8	Very low	28.7	Very low	159.25 Å²	159.25	141.7 Å²	141.7	82%	0.817	73%	0.727	S	S	*	*			trans	-161.5	130.5	157.7	-74.8	166.1	0	0	0	107.5
2404	H	28.4	Very low	28.8	Very low	155.75 Å²	155.75	145.6 Å²	145.6	72%	0.721	74%	0.736	S	S	*	*				112.9	137.8	119.9	-162.9	65.7	0	0	0	115.1
2405	N	26.9	Very low	28.9	Very low	106.75 Å²	106.75	147.6 Å²	147.6	57%	0.571	74%	0.741	S	S	*	*			trans	-16	134.1	162.6	-84.5	9.7	0	0	0	116.3	L2558	N2405-L2558 VanDerWaalsContact ND2-CD1 3.3Å; N2405-L2558 WeakPolarHBondContact ND2-CD1 3.39Å; N2405-L2558 WeakPolarHBondContact ND2-CD2 3.38Å; N2405-L2558 WeakPolarHBondContact OD1-CD1 3.26Å
2406	Q	27.6	Very low	28.9	Very low	173.25 Å²	173.25	152.4 Å²	152.4	81%	0.81	75%	0.752	S	S	*	*				146.6	133.6	121.7	-115.7	172.6	-2.4	0	0	114
2407	S	28.6	Very low	28.9	Very low	100.75 Å²	100.75	149.9 Å²	149.9	71%	0.705	75%	0.75	S	S	*	*			trans	-173.6	144.1	141.3	53.3	0	0	0	0	114.4
2408	I	29.2	Very low	29	Very low	153.75 Å²	153.75	150.5 Å²	150.5	79%	0.788	75%	0.753	S	S	*	*				102.9	133.3	125.5	-79.6	157.4	0	0	0	115.2
2409	N	29.2	Very low	28.9	Very low	133.75 Å²	133.75	149 Å²	149	72%	0.715	75%	0.752	S	S	*	*			trans	-25.4	153.3	165.9	-54.6	-14.7	0	0	0	117.2
2410	E	30.9	Very low	28.9	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.804	75%	0.754	S	S	*	*			trans	142	148.3	138.6	-78.7	-173.4	-160	0	0	113.6
2411	V	32.7	Very low	28.8	Very low	118.25 Å²	118.25	148.6 Å²	148.6	72%	0.717	75%	0.752	S	S	*	*				89.7	117.1	111.2	-179.9	0	0	0	0	115.4
2412	N	28.1	Very low	28.8	Very low	130 Å²	130	147.7 Å²	147.7	70%	0.695	75%	0.75	S	S	*	*			trans	52.5	125.7	145.8	-84.7	-34	0	0	0	118.5
2413	K	28.4	Very low	29	Very low	174.5 Å²	174.5	147.7 Å²	147.7	76%	0.759	75%	0.748	S	S	*	*				70.9	114.5	77.8	-63.9	162.6	-178.9	179	0	114.7
2414	Q	30.9	Very low	28.9	Very low	176.75 Å²	176.75	147.8 Å²	147.8	83%	0.826	75%	0.747	S	S	*	*				-164.7	151.3	115.9	-106.9	161.4	91.1	0	0	108.8
2415	Q	29.9	Very low	29	Very low	171.25 Å²	171.25	146.7 Å²	146.7	80%	0.8	75%	0.746	S	S	*	*				64.6	67.1	109.8	-113.5	178.9	-37.1	0	0	116.5	N2417	Q2415-N2417 WeakPolarHBondContact CG-OD1 3.04Å; Q2415-N2417 PolarHBondContact NE2-OD1 3.45Å
2416	Y	26.4	Very low	29.1	Very low	216.75 Å²	216.75	147.5 Å²	147.5	85%	0.85	75%	0.751	S	S	*	*			trans	-97.6	137.7	133.9	-107.8	-94.5	0	0	0	108.6
2417	N	28.6	Very low	29.1	Very low	126 Å²	126	150.4 Å²	150.4	67%	0.674	75%	0.754	S	S	*	*			trans	75.6	116.6	136.9	-77.3	0.6	0	0	0	117.1	Q2415	Q2415-N2417 WeakPolarHBondContact CG-OD1 3.04Å; Q2415-N2417 PolarHBondContact NE2-OD1 3.45Å
2418	Q	29	Very low	29	Very low	164.75 Å²	164.75	153.9 Å²	153.9	77%	0.77	76%	0.76	S	S	*	*				-172.4	145.9	52.1	-115	168.5	8.4	0	0	107.9
2419	I	28.7	Very low	28.9	Very low	151.75 Å²	151.75	149.8 Å²	149.8	78%	0.778	76%	0.755	S	S	*	*			trans	63.9	111.9	139.2	-58.6	166	0	0	0	113.7
2420	S	28.1	Very low	28.9	Very low	99.5 Å²	99.5	150.4 Å²	150.4	70%	0.696	76%	0.757	S	S	*	*			cis	178.2	142.5	20.8	55.2	0	0	0	0	113.6
2421	N	27.1	Very low	28.9	Very low	138.5 Å²	138.5	145.9 Å²	145.9	74%	0.741	75%	0.745	S	S	*	*			trans	-87.3	129	154.9	-65.8	2.5	0	0	0	114.1
2422	E	30.4	Very low	28.9	Very low	160.25 Å²	160.25	147.9 Å²	147.9	75%	0.749	75%	0.746	S	S	*	*			trans	-147.6	131.8	133	-92	-175.8	-163	0	0	106.6
2423	T	31.1	Very low	29.2	Very low	117.75 Å²	117.75	148.6 Å²	148.6	72%	0.722	75%	0.75	S	S	*	*			trans	-143	127.1	-163.2	21.1	0	0	0	0	113.4
2424	M	27.1	Very low	29.6	Very low	161.5 Å²	161.5	147.6 Å²	147.6	80%	0.796	75%	0.748	S	S	*	*			trans	142.1	124.2	131.4	-120.3	166.5	58	0	0	113.4
2425	D	30.5	Very low	29.6	Very low	132.75 Å²	132.75	149.2 Å²	149.2	71%	0.71	75%	0.746	S	S	*	*			trans	-132.9	150.1	135.5	-89	-47.1	0	0	0	111.9
2426	N	28.5	Very low	29.7	Very low	124 Å²	124	147.5 Å²	147.5	66%	0.663	74%	0.743	S	S	*	*				68	91.2	108.8	-69.6	-36.1	0	0	0	115	H2428	N2426-H2428 PolarHBondContact O-CD2 3Å
2427	W	28	Very low	29.7	Very low	233 Å²	233	146.2 Å²	146.2	88%	0.883	74%	0.738	S	S	*	*				-120.2	122.3	81.7	-81.1	65.1	0	0	0	110.3	L2430	W2427-L2430 HydrophobicContact CE3-CD1 4.5Å; W2427-L2430 HydrophobicContact CE3-CG 4.47Å; W2427-L2430 HydrophobicContact CZ3-CD1 4.44Å; W2427-L2430 HydrophobicContact CZ3-CD2 4.34Å
2428	H	26.9	Very low	29.8	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.815	74%	0.739	S	S	*	*				20.9	101	114.1	-84.1	-83.9	0	0	0	113.7	N2426	N2426-H2428 PolarHBondContact O-CD2 3Å
2429	G	27.2	Very low	29.9	Very low	66.5 Å²	66.5	145 Å²	145	69%	0.686	73%	0.733	S	S	*	*			trans	-130.8	131.4	158	0	0	0	0	0	114
2430	L	27.7	Very low	29.9	Very low	146.5 Å²	146.5	147.9 Å²	147.9	77%	0.767	74%	0.736	S	S	*	*				93.9	126.5	116.2	-62.8	176.9	0	0	0	111.5	W2427 E2432 E2434	W2427-L2430 HydrophobicContact CE3-CD1 4.5Å; W2427-L2430 HydrophobicContact CE3-CG 4.47Å; W2427-L2430 HydrophobicContact CZ3-CD1 4.44Å; W2427-L2430 HydrophobicContact CZ3-CD2 4.34Å; L2430-E2432 HydrophobicContact CD2-CB 3.69Å; L2430-E2432 HydrophobicContact CD2-CG 4.03Å; L2430-E2432 VanDerWaalsContact CD2-OE2 3.23Å; L2430-E2432 WeakPolarHBondContact CD2-OE2 3.11Å; L2430-E2434 HydrophobicContact CB-CB 4.38Å
2431	S	31.9	Very low	30	Very low	77.75 Å²	77.75	151.2 Å²	151.2	54%	0.544	74%	0.738	S	S	.	*			trans	-110.9	147	155.6	47.6	0	0	0	0	109.4	D2433 E2434 W2435	S2431-D2433 PolarHBondContact O-N 3Å; S2431-D2433 VanDerWaalsContact O-N 3.09Å; S2431-E2434 VanDerWaalsContact C-OE1 3.28Å; S2431-E2434 VanDerWaalsContact CA-OE1 3.25Å; S2431-E2434 WeakPolarHBondContact CA-OE1 3.38Å; S2431-E2434 WeakPolarHBondContact CB-OE2 3.29Å; S2431-E2434 PolarHBondContact O-N 3.15Å; S2431-W2435 VanDerWaalsContact O-CE3 3.29Å
2432	E	31.5	Very low	30.3	Very low	160.5 Å²	160.5	151.4 Å²	151.4	75%	0.75	74%	0.739	S	S	*	*			trans	-79.7	52	-174.6	-84.3	131.4	140.4	0	0	114.3	L2430 E2434 W2435	L2430-E2432 HydrophobicContact CD2-CB 3.69Å; L2430-E2432 HydrophobicContact CD2-CG 4.03Å; L2430-E2432 VanDerWaalsContact CD2-OE2 3.23Å; L2430-E2432 WeakPolarHBondContact CD2-OE2 3.11Å; E2432-E2434 PolarHBondContact N-OE1 2.88Å; E2432-E2434 PolarHBondContact O-N 3.06Å; E2432-W2435 HydrophobicContact CB-CG 4.39Å; E2432-W2435 HydrophobicContact CG-CB 4.47Å; E2432-W2435 HydrophobicContact CG-CG 4.05Å; E2432-W2435 WeakPolarHBondContact O-CB 2.84Å; E2432-W2435 PolarHBondContact OE1-NE1 2.99Å
2433	D	35	Very low	30.2	Very low	145 Å²	145	150.8 Å²	150.8	78%	0.775	74%	0.74	S	S	*	*			trans	-134.6	50.4	165.9	-104.6	-22.1	0	0	0	112.8	S2431	S2431-D2433 PolarHBondContact O-N 3Å; S2431-D2433 VanDerWaalsContact O-N 3.09Å
2434	E	37.4	Very low	30.3	Very low	152 Å²	152	151.3 Å²	151.3	71%	0.71	74%	0.744	S	S	*	*			trans	111.3	23.7	165.9	-83.3	-177.6	-178.5	0	0	115.8	L2430 S2431 E2432 N2436	L2430-E2434 HydrophobicContact CB-CB 4.38Å; S2431-E2434 VanDerWaalsContact C-OE1 3.28Å; S2431-E2434 VanDerWaalsContact CA-OE1 3.25Å; S2431-E2434 WeakPolarHBondContact CA-OE1 3.38Å; S2431-E2434 WeakPolarHBondContact CB-OE2 3.29Å; S2431-E2434 PolarHBondContact O-N 3.15Å; E2432-E2434 PolarHBondContact N-OE1 2.88Å; E2432-E2434 PolarHBondContact O-N 3.06Å; E2434-N2436 PolarHBondContact O-N 3.47Å; E2434-N2436 PolarHBondContact O-ND2 3.48Å
2435	W	30.5	Very low	30.7	Very low	210.25 Å²	210.25	152.4 Å²	152.4	80%	0.796	74%	0.744	S	S	*	*			trans	-97.7	81.6	173	-133.7	68.3	0	0	0	112	S2431 E2432 Y2437	S2431-W2435 VanDerWaalsContact O-CE3 3.29Å; E2432-W2435 HydrophobicContact CB-CG 4.39Å; E2432-W2435 HydrophobicContact CG-CB 4.47Å; E2432-W2435 HydrophobicContact CG-CG 4.05Å; E2432-W2435 WeakPolarHBondContact O-CB 2.84Å; E2432-W2435 PolarHBondContact OE1-NE1 2.99Å; W2435-Y2437 VanDerWaalsContact C-N 3.29Å; W2435-Y2437 VanDerWaalsContact CE3-N 3.32Å; W2435-Y2437 HydrophobicContact CH2-CD2 4.47Å; W2435-Y2437 AromaticContact CZ2-CD2 3.92Å; W2435-Y2437 HydrophobicContact CZ2-CD2 3.92Å; W2435-Y2437 PolarHBondContact O-N 3.11Å
2436	N	31	Very low	30.8	Very low	137.5 Å²	137.5	153.7 Å²	153.7	74%	0.735	75%	0.749	S	S	*	*			trans	-99.6	72.6	175.1	-89.2	-49.5	0	0	0	114.2	E2434 K2438	E2434-N2436 PolarHBondContact O-N 3.47Å; E2434-N2436 PolarHBondContact O-ND2 3.48Å; N2436-K2438 PolarHBondContact O-N 3.19Å
2437	Y	28.5	Very low	31	Very low	188.5 Å²	188.5	152.5 Å²	152.5	74%	0.739	75%	0.749	S	S	*	*			trans	-113.3	100.6	159.3	-153.1	-115.1	0	0	0	112.9	W2435 T2439	W2435-Y2437 VanDerWaalsContact C-N 3.29Å; W2435-Y2437 VanDerWaalsContact CE3-N 3.32Å; W2435-Y2437 HydrophobicContact CH2-CD2 4.47Å; W2435-Y2437 AromaticContact CZ2-CD2 3.92Å; W2435-Y2437 HydrophobicContact CZ2-CD2 3.92Å; W2435-Y2437 PolarHBondContact O-N 3.11Å; Y2437-T2439 PolarHBondContact O-N 3.43Å
2438	K	30.4	Very low	31.2	Very low	160.75 Å²	160.75	148.7 Å²	148.7	70%	0.699	75%	0.745	S	S	*	*			trans	-138.1	86.2	171	-121.7	-179.3	-175.4	165.8	0	115.2	N2436	N2436-K2438 PolarHBondContact O-N 3.19Å
2439	T	30.5	Very low	31.5	Very low	105 Å²	105	145 Å²	145	64%	0.644	74%	0.739	S	S	*	*			trans	-108.7	119	148.6	-1.2	0	0	0	0	114.6	Y2437	Y2437-T2439 PolarHBondContact O-N 3.43Å
2440	Y	29.3	Very low	31.6	Very low	212.5 Å²	212.5	152.4 Å²	152.4	83%	0.833	75%	0.747	S	S	*	*			trans	139.6	100.2	145.5	-93.9	-86.4	0	0	0	116.1
2441	K	28.9	Very low	31.9	Very low	169.25 Å²	169.25	152.5 Å²	152.5	74%	0.736	75%	0.747	S	S	*	*			trans	154.4	125.3	153	-75.9	178.5	179.7	175.4	0	114.5
2442	D	33.1	Very low	32	Very low	143 Å²	143	154.8 Å²	154.8	77%	0.765	75%	0.753	S	S	*	*				163.9	107.4	127.5	-90.1	-22.9	0	0	0	112.8	T2444	D2442-T2444 PolarHBondContact O-N 2.86Å
2443	N	29.3	Very low	31.9	Very low	146.25 Å²	146.25	151.8 Å²	151.8	78%	0.782	75%	0.749	S	S	*	*			trans	144.8	111.9	131.5	-90	-28.3	0	0	0	112.6
2444	T	33.9	Very low	31.8	Very low	129.75 Å²	129.75	151.6 Å²	151.6	80%	0.796	75%	0.748	S	S	*	*			trans	176.3	146.9	144.8	45.3	0	0	0	0	113.1	D2442	D2442-T2444 PolarHBondContact O-N 2.86Å
2445	K	34.7	Very low	31.6	Very low	184 Å²	184	150 Å²	150	80%	0.8	75%	0.749	S	S	*	*			trans	125.5	117.7	161.7	-75.9	166.1	-178.1	176.8	0	114.1
2446	I	32.7	Very low	31.6	Very low	160 Å²	160	145.3 Å²	145.3	82%	0.821	74%	0.744	S	S	*	*				120.6	143.3	110.8	-58.8	160.2	0	0	0	112.2
2447	P	33.3	Very low	31.5	Very low	99.25 Å²	99.25	149.1 Å²	149.1	64%	0.644	75%	0.748	S	S	*	*			trans	-130	177.7	136.2	39	-24.1	0	0	0	117.6
2448	N	31.6	Very low	31.5	Very low	152.25 Å²	152.25	145.1 Å²	145.1	81%	0.814	75%	0.745	S	S	*	*			trans	73.2	119.3	153.9	-59.2	-13.7	0	0	0	119.7
2449	S	32.8	Very low	31.4	Very low	98.75 Å²	98.75	142.5 Å²	142.5	69%	0.691	75%	0.747	S	S	*	*				-169.8	146.5	61.7	47.3	0	0	0	0	111.9
2450	W	29.2	Very low	31.3	Very low	222.5 Å²	222.5	145.8 Å²	145.8	84%	0.843	75%	0.752	S	S	*	*			trans	-1.3	165.4	142	-73.2	-0.1	0	0	0	115
2451	I	35	Very low	31.2	Very low	148.75 Å²	148.75	142.4 Å²	142.4	76%	0.763	75%	0.749	S	S	*	*				-151.9	135.7	70	-103.4	160.2	0	0	0	111.1
2452	D	32.7	Very low	31.3	Very low	125.75 Å²	125.75	139.6 Å²	139.6	67%	0.672	75%	0.748	S	S	*	*			trans	-51.9	145.6	159.5	-27	-26	0	0	0	117.9	N2454	D2452-N2454 PolarHBondContact O-N 3.44Å
2453	S	31.3	Very low	31.2	Very low	96.5 Å²	96.5	139.1 Å²	139.1	68%	0.675	75%	0.75	S	S	*	*				-172.5	140.6	101.5	58.6	0	0	0	0	115.6
2454	N	32.2	Very low	31.3	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	75%	0.745	S	S	*	*			trans	130.7	86.8	149.8	-86	-25.1	0	0	0	119	D2452 T2456	D2452-N2454 PolarHBondContact O-N 3.44Å; N2454-T2456 PolarHBondContact O-N 2.96Å
2455	T	32.9	Very low	31.1	Very low	117.5 Å²	117.5	136.2 Å²	136.2	72%	0.721	74%	0.742	S	S	*	*			trans	-116.4	135.4	162.2	-60.2	0	0	0	0	114.9
2456	T	31.5	Very low	30.9	Very low	111.75 Å²	111.75	134.7 Å²	134.7	69%	0.686	74%	0.743	S	S	*	*			trans	-138.7	135.9	163.2	-57.6	0	0	0	0	112.6	N2454	N2454-T2456 PolarHBondContact O-N 2.96Å
2457	W	27.4	Very low	30.8	Very low	217.25 Å²	217.25	136 Å²	136	82%	0.823	74%	0.742	S	S	*	*			trans	-4.1	143.8	177.1	-64.6	99.7	0	0	0	117.3	S2459	W2457-S2459 PolarHBondContact O-N 3.33Å
2458	P	28.7	Very low	30.6	Very low	103.5 Å²	103.5	136.8 Å²	136.8	67%	0.672	75%	0.748	S	S	*	*			trans	-93.5	124.3	171.4	32.7	-27.9	0	0	0	112.9	F2460	P2458-F2460 PolarHBondContact O-N 3.48Å
2459	S	29.2	Very low	30.4	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-72.1	140.6	169.2	74.2	0	0	0	0	112.7	W2457 N2461	W2457-S2459 PolarHBondContact O-N 3.33Å; S2459-N2461 PolarHBondContact O-N 2.88Å
2460	F	26.8	Very low	30.2	Very low	174.5 Å²	174.5	139.6 Å²	139.6	77%	0.765	75%	0.745	S	S	*	*			trans	-98.6	133.1	168.1	-88.4	-103.3	0	0	0	111.8	K1839 P2458	K1839-F2460 HydrophobicContact CB-CE1 3.4Å; K1839-F2460 HydrophobicContact CB-CZ 3.62Å; K1839-F2460 HydrophobicContact CD-CD1 4.13Å; K1839-F2460 HydrophobicContact CD-CE1 3.49Å; K1839-F2460 VanDerWaalsContact CD-CE1 3.49Å; K1839-F2460 HydrophobicContact CD-CZ 3.83Å; K1839-F2460 HydrophobicContact CG-CD1 4.13Å; K1839-F2460 HydrophobicContact CG-CE1 3.32Å; K1839-F2460 HydrophobicContact CG-CZ 3.95Å; P2458-F2460 PolarHBondContact O-N 3.48Å
2461	N	29.1	Very low	30.3	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	74%	0.742	S	S	*	*			trans	-94.5	141.7	162.2	-83.5	-15.2	0	0	0	111.7	S2459 V2463	S2459-N2461 PolarHBondContact O-N 2.88Å; N2461-V2463 HydrophobicContact CB-CG2 4.27Å; N2461-V2463 PolarHBondContact O-N 3.22Å; N2461-V2463 VanDerWaalsContact O-N 3.07Å
2462	P	30.8	Very low	30.2	Very low	111.25 Å²	111.25	136.2 Å²	136.2	72%	0.722	74%	0.743	S	S	*	*			trans	-81.4	136.6	-167	30.2	-31.6	0	0	0	111.3	T2464	P2462-T2464 PolarHBondContact O-N 3.21Å; P2462-T2464 VanDerWaalsContact O-N 3.14Å
2463	V	29.9	Very low	30.1	Very low	132.5 Å²	132.5	137.4 Å²	137.4	80%	0.803	74%	0.744	S	S	*	*			trans	-81.3	100.4	-179.8	-177.6	0	0	0	0	110	K1839 N2461	K1839-V2463 VanDerWaalsContact CE-CG2 3.45Å; N2461-V2463 HydrophobicContact CB-CG2 4.27Å; N2461-V2463 PolarHBondContact O-N 3.22Å; N2461-V2463 VanDerWaalsContact O-N 3.07Å
2464	T	31.9	Very low	30.1	Very low	110.5 Å²	110.5	137.5 Å²	137.5	68%	0.678	75%	0.745	S	S	*	*			trans	-90.5	132.8	166.3	47.4	0	0	0	0	109.9	P2462 N2466	P2462-T2464 PolarHBondContact O-N 3.21Å; P2462-T2464 VanDerWaalsContact O-N 3.14Å; T2464-N2466 VanDerWaalsContact C-N 3.3Å; T2464-N2466 PolarHBondContact O-N 3.13Å; T2464-N2466 PolarHBondContact OG1-ND2 3.05Å
2465	S	29.3	Very low	30.3	Very low	104.25 Å²	104.25	136.4 Å²	136.4	73%	0.729	74%	0.744	S	S	*	*			trans	-93.9	95.3	-176.6	53.8	0	0	0	0	112.6	K2467	S2465-K2467 PolarHBondContact O-N 3.12Å
2466	N	30.3	Very low	30.9	Very low	153.5 Å²	153.5	137.8 Å²	137.8	82%	0.821	74%	0.74	S	S	*	*			trans	-74.5	88.3	175.5	-70.3	-21.3	0	0	0	111.3	T2464	T2464-N2466 VanDerWaalsContact C-N 3.3Å; T2464-N2466 PolarHBondContact O-N 3.13Å; T2464-N2466 PolarHBondContact OG1-ND2 3.05Å
2467	K	31.2	Very low	31.9	Very low	187.5 Å²	187.5	135.1 Å²	135.1	82%	0.815	73%	0.725	S	S	*	*			trans	-71.8	137.5	151.5	-129.2	-179.9	-177.1	-178.8	0	107.7	S2465 R2469	S2465-K2467 PolarHBondContact O-N 3.12Å; K2467-R2469 PolarHBondContact O-N 2.96Å
2468	P	28.2	Very low	33.4	Very low	116 Å²	116	129.1 Å²	129.1	75%	0.753	71%	0.712	S	S	*	*			trans	-60.5	125.4	177	13.5	-17.7	0	0	0	109.8	S2470	P2468-S2470 PolarHBondContact O-N 3.38Å
2469	R	27.5	Very low	35.4	Very low	220.75 Å²	220.75	126.4 Å²	126.4	83%	0.833	69%	0.689	S	S	*	*			trans	-74.9	89.9	172.4	-171.2	-175.1	-142.6	-144.8	4.3	107.2	K2467 L2471	K2467-R2469 PolarHBondContact O-N 2.96Å; R2469-L2471 PolarHBondContact O-N 3.28Å
2470	S	28.9	Very low	37.3	Very low	87.75 Å²	87.75	128.1 Å²	128.1	61%	0.614	69%	0.69	S	S	*	*			trans	-72.4	103.6	172	51.8	0	0	0	0	108.9	P2468 I2472	P2468-S2470 PolarHBondContact O-N 3.38Å; S2470-I2472 PolarHBondContact O-N 3.12Å
2471	L	31.3	Very low	39.4	Very low	149.75 Å²	149.75	122.2 Å²	122.2	78%	0.784	66%	0.664	S	S	*	*			trans	-89.7	82.6	163.2	-140.4	73.6	0	0	0	107.5	R2469 Q2473	R2469-L2471 PolarHBondContact O-N 3.28Å; L2471-Q2473 HydrophobicContact CD2-CB 4.22Å; L2471-Q2473 HydrophobicContact CG-CB 4.38Å; L2471-Q2473 PolarHBondContact O-N 3.41Å
2472	I	33.1	Very low	41.3	Very low	151.25 Å²	151.25	119 Å²	119	78%	0.776	65%	0.651	S	S	*	*			trans	-71.4	83.2	157.7	-58.6	177.3	0	0	0	105.1	S2470 S2474	S2470-I2472 PolarHBondContact O-N 3.12Å; I2472-S2474 PolarHBondContact O-N 3.39Å; I2472-S2474 VanDerWaalsContact O-N 3.17Å
2473	Q	30.4	Very low	43.3	Very low	149.75 Å²	149.75	117.4 Å²	117.4	70%	0.7	64%	0.639	S	S	*	*			trans	-64	120.3	164.3	-149.8	169.2	-11.4	0	0	105.9	L2471 T2475	L2471-Q2473 HydrophobicContact CD2-CB 4.22Å; L2471-Q2473 HydrophobicContact CG-CB 4.38Å; L2471-Q2473 PolarHBondContact O-N 3.41Å; Q2473-T2475 VanDerWaalsContact C-N 3.29Å; Q2473-T2475 HydrophobicContact CB-CG2 4.27Å; Q2473-T2475 PolarHBondContact O-N 3.12Å
2474	S	31.7	Very low	45.1	Very low	100 Å²	100	114.3 Å²	114.3	70%	0.699	62%	0.615	S	S	*	*			trans	-65.5	88.5	178.9	-179.6	0	0	0	0	109.3	I2472 K2476	I2472-S2474 PolarHBondContact O-N 3.39Å; I2472-S2474 VanDerWaalsContact O-N 3.17Å; S2474-K2476 VanDerWaalsContact C-N 3.3Å; S2474-K2476 PolarHBondContact O-N 3.1Å; S2474-K2476 VanDerWaalsContact O-N 3.12Å
2475	T	37.1	Very low	47.1	Very low	118.5 Å²	118.5	115.6 Å²	115.6	73%	0.727	61%	0.607	S	S	*	*			trans	-70.4	88.3	165.1	46.8	0	0	0	0	106.1	Q2473 C2477	Q2473-T2475 VanDerWaalsContact C-N 3.29Å; Q2473-T2475 HydrophobicContact CB-CG2 4.27Å; Q2473-T2475 PolarHBondContact O-N 3.12Å; T2475-C2477 PolarHBondContact O-N 2.99Å; T2475-C2477 VanDerWaalsContact O-N 3.12Å; T2475-C2477 PolarHBondContact O-SG 2.98Å
2476	K	44.5	Very low	49.2	Very low	147 Å²	147	112.6 Å²	112.6	64%	0.639	58%	0.583	S	S	*	*			trans	-53.9	102.5	179.7	-176.1	-174.5	175.9	-171.9	0	109.2	S2474 T2478 K2543 M2545 C2546	S2474-K2476 VanDerWaalsContact C-N 3.3Å; S2474-K2476 PolarHBondContact O-N 3.1Å; S2474-K2476 VanDerWaalsContact O-N 3.12Å; K2476-T2478 PolarHBondContact O-N 3.1Å; K2476-T2478 VanDerWaalsContact O-N 3.12Å; K2476-T2478 PolarHBondContact O-OG1 2.96Å; K2476-K2543 PolarHBondContact NZ-O 3.45Å; K2476-M2545 WeakPolarHBondContact CD-O 3.33Å; K2476-M2545 PolarHBondContact NZ-O 3.44Å; K2476-C2546 PolarHBondContact NZ-SG 3.3Å; K2476-C2546 VanDerWaalsContact NZ-SG 3.39Å
2477	C	53.4	Low	51.3	Low	54.75 Å²	54.75	109.8 Å²	109.8	37%	0.37	57%	0.568	S	S	.	*			trans	-66.2	124.2	175.2	-127.1	0	0	0	0	108.1	T2475 Y2479	T2475-C2477 PolarHBondContact O-N 2.99Å; T2475-C2477 VanDerWaalsContact O-N 3.12Å; T2475-C2477 PolarHBondContact O-SG 2.98Å; C2477-Y2479 HydrophobicContact CB-CE2 3.87Å; C2477-Y2479 WeakPolarHBondContact O-CD2 3.05Å; C2477-Y2479 WeakPolarHBondContact O-CE2 3.35Å; C2477-Y2479 WeakPolarHBondContact SG-CE2 3.35Å; C2477-Y2479 PolarHBondContact SG-OH 3.01Å; C2477-Y2479 VanDerWaalsContact SG-OH 3.36Å
2478	T	57.5	Low	53.3	Low	92 Å²	92	101.7 Å²	101.7	56%	0.564	53%	0.533	S	S	*	.			trans	-103.6	119.4	174.2	-55.9	0	0	0	0	106.8	K2476 R2512 F2520 C2546	K2476-T2478 PolarHBondContact O-N 3.1Å; K2476-T2478 VanDerWaalsContact O-N 3.12Å; K2476-T2478 PolarHBondContact O-OG1 2.96Å; T2478-R2512 VanDerWaalsContact CG2-NH1 3.27Å; T2478-F2520 HydrophobicContact CG2-CD1 4.26Å; T2478-F2520 HydrophobicContact CG2-CE1 3.51Å; T2478-F2520 HydrophobicContact CG2-CE2 4.4Å; T2478-F2520 HydrophobicContact CG2-CZ 3.58Å; T2478-F2520 WeakPolarHBondContact OG1-CE1 3.42Å; T2478-C2546 HydrophobicContact CG2-CB 4.01Å
2479	Y	70.4	Confident	55.2	Low	46 Å²	46	101.8 Å²	101.8	18%	0.18	53%	0.525	C	S	.	.			trans	-95	136.6	176.5	-58.7	-86.1	0	0	0	108.7	C2477 F2481 T2483 L2923 E2924 V2931 L2952	C2477-Y2479 HydrophobicContact CB-CE2 3.87Å; C2477-Y2479 WeakPolarHBondContact O-CD2 3.05Å; C2477-Y2479 WeakPolarHBondContact O-CE2 3.35Å; C2477-Y2479 WeakPolarHBondContact SG-CE2 3.35Å; C2477-Y2479 PolarHBondContact SG-OH 3.01Å; C2477-Y2479 VanDerWaalsContact SG-OH 3.36Å; Y2479-F2481 VanDerWaalsContact C-N 3.29Å; Y2479-F2481 HydrophobicContact CD1-CE1 4.29Å; Y2479-F2481 HydrophobicContact CD1-CE2 4.21Å; Y2479-F2481 AromaticContact CD1-CZ 3.7Å; Y2479-F2481 HydrophobicContact CD1-CZ 3.7Å; Y2479-F2481 HydrophobicContact CG-CE2 4.32Å; Y2479-F2481 HydrophobicContact CG-CZ 4.15Å; Y2479-F2481 PolarHBondContact O-N 2.93Å; Y2479-T2483 HydrophobicContact CD2-CG2 4.16Å; Y2479-T2483 HydrophobicContact CG-CG2 4.18Å; Y2479-L2923 HydrophobicContact CD1-CD1 4.12Å; Y2479-L2923 HydrophobicContact CD1-CD2 4.37Å; Y2479-L2923 HydrophobicContact CD2-CD1 4.34Å; Y2479-L2923 HydrophobicContact CE1-CB 4.06Å; Y2479-L2923 HydrophobicContact CE1-CD1 4.32Å; Y2479-L2923 HydrophobicContact CE1-CD2 4.22Å; Y2479-L2923 HydrophobicContact CE1-CG 4.4Å; Y2479-L2923 HydrophobicContact CE2-CB 4.29Å; Y2479-L2923 HydrophobicContact CE2-CD1 4.38Å; Y2479-L2923 HydrophobicContact CG-CD1 4.13Å; Y2479-E2924 HydrophobicContact CE2-CG 4.24Å; Y2479-E2924 VanDerWaalsContact CE2-OE1 3.26Å; Y2479-E2924 WeakPolarHBondContact CE2-OE1 3.33Å; Y2479-E2924 WeakPolarHBondContact OH-CG 3.39Å; Y2479-E2924 PolarHBondContact OH-OE1 3.47Å; Y2479-V2931 HydrophobicContact CE1-CG2 4.33Å; Y2479-L2952 HydrophobicContact CD2-CD2 3.6Å; Y2479-L2952 HydrophobicContact CE2-CD2 3.31Å
2480	D	70.3	Confident	57.1	Low	142.5 Å²	142.5	95 Å²	95	76%	0.762	50%	0.499	S	S	*	.	S	Bend	trans	-79.3	18.6	178.5	-4.7	-50.6	0	0	0	112.1	P2482 R2512	D2480-P2482 WeakPolarHBondContact O-CD 3.43Å; D2480-R2512 IonicContact OD1-CZ 2.62Å; D2480-R2512 IonicContact OD1-NE 2.98Å; D2480-R2512 IonicContact OD1-NH1 3.23Å; D2480-R2512 PolarHBondContact OD1-NH1 3.35Å; D2480-R2512 IonicContact OD1-NH2 2.64Å; D2480-R2512 IonicContact OD2-CZ 2.8Å; D2480-R2512 VanDerWaalsContact OD2-CZ 3.23Å; D2480-R2512 IonicContact OD2-NH1 2.86Å; D2480-R2512 PolarHBondContact OD2-NH1 2.94Å; D2480-R2512 IonicContact OD2-NH2 2.65Å; D2480-R2512 PolarHBondContact OD2-NH2 3.04Å
2481	F	70.7	Confident	58.5	Low	49.75 Å²	49.75	93.8 Å²	93.8	22%	0.218	48%	0.484	C	S	.	.	S	Bend	trans	-118.5	143.5	178.6	32.6	-88.6	0	0	0	110.8	Y2479 T2483 L2486 A2519 L2923 R2954	Y2479-F2481 VanDerWaalsContact C-N 3.29Å; Y2479-F2481 HydrophobicContact CD1-CE1 4.29Å; Y2479-F2481 HydrophobicContact CD1-CE2 4.21Å; Y2479-F2481 AromaticContact CD1-CZ 3.7Å; Y2479-F2481 HydrophobicContact CD1-CZ 3.7Å; Y2479-F2481 HydrophobicContact CG-CE2 4.32Å; Y2479-F2481 HydrophobicContact CG-CZ 4.15Å; Y2479-F2481 PolarHBondContact O-N 2.93Å; F2481-T2483 HydrophobicContact CD2-CG2 4.32Å; F2481-T2483 HydrophobicContact CE2-CG2 4.23Å; F2481-T2483 PolarHBondContact O-N 3.06Å; F2481-L2486 HydrophobicContact CE1-CD1 3.72Å; F2481-L2486 HydrophobicContact CE1-CG 4.19Å; F2481-L2486 HydrophobicContact CZ-CD1 4.05Å; F2481-A2519 HydrophobicContact CD2-CB 4.14Å; F2481-A2519 HydrophobicContact CE2-CB 4.48Å; F2481-L2923 HydrophobicContact CE2-CD1 3.67Å; F2481-L2923 HydrophobicContact CE2-CD2 4.03Å; F2481-L2923 HydrophobicContact CE2-CG 4.47Å; F2481-L2923 HydrophobicContact CZ-CD1 4.13Å; F2481-L2923 HydrophobicContact CZ-CD2 3.94Å; F2481-R2954 HydrophobicContact CD2-CB 4.41Å; F2481-R2954 HydrophobicContact CD2-CG 3.94Å; F2481-R2954 VanDerWaalsContact CD2-NE 3.3Å; F2481-R2954 HydrophobicContact CE2-CB 4.11Å; F2481-R2954 HydrophobicContact CE2-CG 3.92Å; F2481-R2954 VanDerWaalsContact CZ-NH2 3.28Å
2482	P	69.9	Low	59.6	Low	74.25 Å²	74.25	93 Å²	93	48%	0.482	47%	0.474	S	S	.	.			trans	-62.1	126	179.3	-12.6	20.5	0	0	0	112.7	D2480 K2484 E2539 A2955 Y2957	D2480-P2482 WeakPolarHBondContact O-CD 3.43Å; P2482-K2484 VanDerWaalsContact C-N 3.27Å; P2482-K2484 WeakPolarHBondContact O-CD 3.44Å; P2482-K2484 WeakPolarHBondContact O-CG 3.39Å; P2482-K2484 PolarHBondContact O-N 3.04Å; P2482-E2539 WeakPolarHBondContact CG-OE1 3.48Å; P2482-A2955 HydrophobicContact CB-CB 4.14Å; P2482-A2955 PolarHBondContact O-N 3.33Å; P2482-Y2957 HydrophobicContact CB-CD2 3.89Å; P2482-Y2957 HydrophobicContact CB-CE2 3.58Å; P2482-Y2957 HydrophobicContact CG-CD2 3.72Å; P2482-Y2957 HydrophobicContact CG-CE2 3.69Å
2483	T	71	Confident	60.6	Low	78 Å²	78	94 Å²	94	48%	0.479	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.6	177.5	43.7	0	0	0	0	113	Y2479 F2481 L2923 L2952 V2953	Y2479-T2483 HydrophobicContact CD2-CG2 4.16Å; Y2479-T2483 HydrophobicContact CG-CG2 4.18Å; F2481-T2483 HydrophobicContact CD2-CG2 4.32Å; F2481-T2483 HydrophobicContact CE2-CG2 4.23Å; F2481-T2483 PolarHBondContact O-N 3.06Å; T2483-L2923 HydrophobicContact CG2-CD1 3.46Å; T2483-L2923 VanDerWaalsContact CG2-CD1 3.46Å; T2483-L2952 HydrophobicContact CG2-CD2 4.19Å; T2483-L2952 HydrophobicContact CG2-CG 4.36Å; T2483-V2953 CarbonylContact C-O 3.57Å; T2483-V2953 VanDerWaalsContact CA-O 3.28Å; T2483-V2953 WeakPolarHBondContact CA-O 3.32Å
2484	K	69.6	Low	61.6	Low	65.75 Å²	65.75	89.7 Å²	89.7	29%	0.286	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.9	176.3	-93.3	168.6	-175.3	179.3	0	110.2	P2482 L2486 E2539 L2913 K2914 S2915 L2952 V2953 A2955	P2482-K2484 VanDerWaalsContact C-N 3.27Å; P2482-K2484 WeakPolarHBondContact O-CD 3.44Å; P2482-K2484 WeakPolarHBondContact O-CG 3.39Å; P2482-K2484 PolarHBondContact O-N 3.04Å; K2484-L2486 HydrophobicContact CD-CD1 4.43Å; K2484-L2486 HydrophobicContact CD-CD2 4.34Å; K2484-L2486 HydrophobicContact CD-CG 4.27Å; K2484-L2486 HydrophobicContact CG-CG 4.43Å; K2484-L2486 PolarHBondContact O-N 2.91Å; K2484-E2539 WeakPolarHBondContact CG-OE1 3.44Å; K2484-E2539 IonicContact NZ-OE1 2.65Å; K2484-E2539 PolarHBondContact NZ-OE1 3.07Å; K2484-E2539 IonicContact NZ-OE2 3.11Å; K2484-L2913 HydrophobicContact CD-CB 4.26Å; K2484-L2913 VanDerWaalsContact CE-O 3.27Å; K2484-L2913 WeakPolarHBondContact CE-O 3.27Å; K2484-K2914 PolarHBondContact NZ-O 2.79Å; K2484-K2914 VanDerWaalsContact NZ-O 3.17Å; K2484-S2915 PolarHBondContact NZ-O 2.95Å; K2484-L2952 WeakPolarHBondContact O-CA 3.23Å; K2484-V2953 PolarHBondContact N-O 3.32Å; K2484-V2953 PolarHBondContact O-N 3.04Å; K2484-A2955 HydrophobicContact CD-CB 4.37Å; K2484-A2955 HydrophobicContact CG-CB 4.08Å
2485	R	72.3	Confident	62.5	Low	137.75 Å²	137.75	94.6 Å²	94.6	52%	0.52	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126	174.3	-98	172.4	-167.2	-137.6	-4.4	110.2	L2487 E2924 S2927 E2950 L2951 L2952	R2485-L2487 PolarHBondContact O-N 3.36Å; R2485-E2924 IonicContact CZ-OE2 3.77Å; R2485-E2924 IonicContact NE-OE2 3.44Å; R2485-E2924 IonicContact NH2-OE2 3.32Å; R2485-E2924 PolarHBondContact NH2-OE2 3.07Å; R2485-S2927 PolarHBondContact NH1-OG 3.22Å; R2485-S2927 VanDerWaalsContact NH1-OG 3.12Å; R2485-S2927 PolarHBondContact NH2-OG 3.11Å; R2485-E2950 VanDerWaalsContact CD-OE1 3.27Å; R2485-E2950 WeakPolarHBondContact CD-OE1 3.28Å; R2485-E2950 HydrophobicContact CG-CG 4.04Å; R2485-E2950 VanDerWaalsContact CZ-CD 3.49Å; R2485-E2950 IonicContact CZ-OE1 3.33Å; R2485-E2950 IonicContact CZ-OE2 3.83Å; R2485-E2950 IonicContact NE-OE1 3.76Å; R2485-E2950 IonicContact NE-OE2 2.64Å; R2485-E2950 IonicContact NH1-OE1 2.95Å; R2485-E2950 PolarHBondContact NH1-OE1 3.44Å; R2485-E2950 IonicContact NH1-OE2 3.24Å; R2485-E2950 PolarHBondContact NH1-OE2 2.86Å; R2485-E2950 IonicContact NH2-OE2 2.75Å; R2485-L2951 CarbonylContact C-O 3.59Å; R2485-L2951 VanDerWaalsContact CA-O 3.31Å; R2485-L2951 WeakPolarHBondContact CA-O 3.37Å; R2485-L2951 WeakPolarHBondContact CG-O 3.48Å; R2485-L2952 HydrophobicContact CB-CD1 4.11Å; R2485-L2952 HydrophobicContact CG-CD1 3.72Å
2486	L	74.8	Confident	63.3	Low	41.25 Å²	41.25	94.3 Å²	94.3	22%	0.216	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.5	176.6	-65.1	177.8	0	0	0	109.6	F2481 K2484 L2488 L2533 I2537 I2916 E2950 L2951 V2953	F2481-L2486 HydrophobicContact CE1-CD1 3.72Å; F2481-L2486 HydrophobicContact CE1-CG 4.19Å; F2481-L2486 HydrophobicContact CZ-CD1 4.05Å; K2484-L2486 HydrophobicContact CD-CD1 4.43Å; K2484-L2486 HydrophobicContact CD-CD2 4.34Å; K2484-L2486 HydrophobicContact CD-CG 4.27Å; K2484-L2486 HydrophobicContact CG-CG 4.43Å; K2484-L2486 PolarHBondContact O-N 2.91Å; L2486-L2488 PolarHBondContact O-N 2.78Å; L2486-L2533 HydrophobicContact CD1-CD1 4.16Å; L2486-L2533 HydrophobicContact CD2-CD1 3.97Å; L2486-L2533 HydrophobicContact CG-CD1 4.43Å; L2486-I2537 HydrophobicContact CB-CD1 4.37Å; L2486-I2537 HydrophobicContact CD2-CD1 4.06Å; L2486-I2916 HydrophobicContact CD1-CB 4.14Å; L2486-I2916 HydrophobicContact CD1-CD1 4.26Å; L2486-I2916 HydrophobicContact CD1-CG1 4.42Å; L2486-E2950 CarbonylContact O-C 3.48Å; L2486-E2950 VanDerWaalsContact O-CA 3.29Å; L2486-E2950 WeakPolarHBondContact O-CA 3.22Å; L2486-L2951 HydrophobicContact CB-CB 4.35Å; L2486-L2951 PolarHBondContact N-O 2.8Å; L2486-L2951 PolarHBondContact O-N 3.34Å; L2486-V2953 HydrophobicContact CD1-CG2 3.91Å; L2486-V2953 HydrophobicContact CG-CG2 4.4Å
2487	L	73.2	Confident	63.7	Low	95.75 Å²	95.75	95.2 Å²	95.2	50%	0.501	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	111	173.3	-173	68.1	0	0	0	109.4	R2485 M2489 I2537 E2948 T2949 E2950 M3238	R2485-L2487 PolarHBondContact O-N 3.36Å; L2487-M2489 HydrophobicContact CD2-CG 4.3Å; L2487-M2489 HydrophobicContact CD2-SD 4.35Å; L2487-M2489 HydrophobicContact CG-CG 4.09Å; L2487-M2489 PolarHBondContact O-N 3.27Å; L2487-I2537 HydrophobicContact CB-CD1 4.23Å; L2487-I2537 VanDerWaalsContact O-CD1 3.27Å; L2487-I2537 WeakPolarHBondContact O-CD1 3.39Å; L2487-E2948 HydrophobicContact CD1-CB 4.22Å; L2487-T2949 WeakPolarHBondContact CA-O 3.34Å; L2487-E2950 HydrophobicContact CD1-CB 4.33Å; L2487-M3238 HydrophobicContact CD2-CE 4.42Å
2488	L	73.1	Confident	63.8	Low	16.75 Å²	16.75	101.5 Å²	101.5	9%	0.088	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.9	178.2	-74.6	165.4	0	0	0	110.1	L2486 I2502 M2504 P2529 A2530 L2533 E2948 T2949 L2951	L2486-L2488 PolarHBondContact O-N 2.78Å; L2488-I2502 HydrophobicContact CB-CD1 4.35Å; L2488-I2502 HydrophobicContact CB-CG2 4.14Å; L2488-I2502 HydrophobicContact CD1-CG2 3.78Å; L2488-I2502 HydrophobicContact CG-CG2 4.41Å; L2488-I2502 WeakPolarHBondContact O-CD1 3.37Å; L2488-M2504 HydrophobicContact CD1-CE 3.65Å; L2488-P2529 HydrophobicContact CD2-CB 4.22Å; L2488-A2530 HydrophobicContact CD1-CB 4.48Å; L2488-A2530 HydrophobicContact CD2-CB 4.34Å; L2488-L2533 HydrophobicContact CD1-CD1 4.43Å; L2488-L2533 HydrophobicContact CD2-CD1 3.87Å; L2488-L2533 HydrophobicContact CD2-CD2 4.07Å; L2488-L2533 HydrophobicContact CD2-CG 3.82Å; L2488-L2533 HydrophobicContact CG-CD1 4.19Å; L2488-E2948 CarbonylContact O-C 3.55Å; L2488-E2948 WeakPolarHBondContact O-CA 3.25Å; L2488-T2949 PolarHBondContact N-O 3.13Å; L2488-T2949 PolarHBondContact O-N 3.12Å; L2488-L2951 HydrophobicContact CD1-CD1 3.54Å; L2488-L2951 VanDerWaalsContact CD1-CD1 3.49Å; L2488-L2951 HydrophobicContact CD1-CG 4.11Å
2489	M	67.9	Low	63.8	Low	118.75 Å²	118.75	98.6 Å²	98.6	59%	0.585	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.1	169.9	-61.1	-168.8	77.8	0	0	110.1	L2487 E2491 P2529 E2948	L2487-M2489 HydrophobicContact CD2-CG 4.3Å; L2487-M2489 HydrophobicContact CD2-SD 4.35Å; L2487-M2489 HydrophobicContact CG-CG 4.09Å; L2487-M2489 PolarHBondContact O-N 3.27Å; M2489-E2491 PolarHBondContact O-N 3.16Å; M2489-P2529 VanDerWaalsContact O-CB 3.26Å; M2489-P2529 WeakPolarHBondContact O-CB 3.32Å; M2489-P2529 VanDerWaalsContact O-CG 3.22Å; M2489-P2529 WeakPolarHBondContact O-CG 3.37Å; M2489-E2948 HydrophobicContact CE-CG 4.39Å
2490	R	67.2	Low	63.3	Low	76.75 Å²	76.75	97.7 Å²	97.7	29%	0.29	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-82.2	122.6	178.5	-176.2	-179.9	-177.6	154.3	2.5	110.3	F2492 D2494 G2500 G2501 I2502 Q2944 S2946 E2947	R2490-F2492 WeakPolarHBondContact O-CD2 3.47Å; R2490-F2492 PolarHBondContact O-N 3.18Å; R2490-F2492 VanDerWaalsContact O-N 3.08Å; R2490-D2494 HydrophobicContact CG-CB 3.87Å; R2490-D2494 PolarHBondContact NH2-O 3.37Å; R2490-G2500 PolarHBondContact NE-O 3.21Å; R2490-G2500 PolarHBondContact NH1-O 2.91Å; R2490-G2500 PolarHBondContact NH2-O 3.07Å; R2490-G2500 VanDerWaalsContact NH2-O 3.13Å; R2490-G2501 WeakPolarHBondContact CG-O 3.21Å; R2490-I2502 HydrophobicContact CB-CD1 4.26Å; R2490-I2502 HydrophobicContact CB-CG1 4.34Å; R2490-I2502 HydrophobicContact CG-CG1 4.36Å; R2490-Q2944 PolarHBondContact NH1-O 3.44Å; R2490-S2946 WeakPolarHBondContact CD-O 3.41Å; R2490-E2947 WeakPolarHBondContact CB-O 3.18Å; R2490-E2947 PolarHBondContact N-O 3.04Å
2491	E	60.2	Low	63.1	Low	62.5 Å²	62.5	91.6 Å²	91.6	29%	0.292	43%	0.426	S	S	.	.			trans	-74.6	115.7	173.6	-89.1	-162.5	-141.1	0	0	111.2	M2489 R2493 D2494 Y2496 G2501 P2529 Q2532	M2489-E2491 PolarHBondContact O-N 3.16Å; E2491-R2493 PolarHBondContact O-N 2.97Å; E2491-R2493 VanDerWaalsContact O-N 3.08Å; E2491-R2493 IonicContact OE1-NH1 3.18Å; E2491-R2493 PolarHBondContact OE1-NH1 3.1Å; E2491-R2493 WeakPolarHBondContact OE2-CD 3.24Å; E2491-R2493 WeakPolarHBondContact OE2-CG 3.48Å; E2491-R2493 IonicContact OE2-CZ 3.6Å; E2491-R2493 VanDerWaalsContact OE2-CZ 3.3Å; E2491-R2493 IonicContact OE2-NE 2.89Å; E2491-R2493 PolarHBondContact OE2-NE 3.26Å; E2491-R2493 IonicContact OE2-NH1 3.19Å; E2491-R2493 PolarHBondContact OE2-NH1 2.85Å; E2491-D2494 HydrophobicContact CB-CB 4.03Å; E2491-D2494 WeakPolarHBondContact O-CB 3.17Å; E2491-D2494 PolarHBondContact O-N 2.87Å; E2491-D2494 VanDerWaalsContact O-N 3.12Å; E2491-Y2496 HydrophobicContact CB-CD2 4.37Å; E2491-G2501 PolarHBondContact N-O 3.23Å; E2491-P2529 HydrophobicContact CB-CG 3.94Å; E2491-P2529 HydrophobicContact CG-CG 4.06Å; E2491-Q2532 PolarHBondContact OE1-NE2 2.79Å
2492	F	54.7	Low	63.1	Low	133.5 Å²	133.5	90.3 Å²	90.3	59%	0.586	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.9	175.4	-46.3	-85.3	0	0	0	114.2	R2490 R2495 D2547 E2947	R2490-F2492 WeakPolarHBondContact O-CD2 3.47Å; R2490-F2492 PolarHBondContact O-N 3.18Å; R2490-F2492 VanDerWaalsContact O-N 3.08Å; F2492-R2495 PolarHBondContact O-NE 3.46Å; F2492-D2547 WeakPolarHBondContact CE1-OD2 3.47Å; F2492-E2947 HydrophobicContact CE2-CB 3.99Å; F2492-E2947 HydrophobicContact CE2-CG 4.36Å; F2492-E2947 HydrophobicContact CZ-CB 3.85Å; F2492-E2947 HydrophobicContact CZ-CG 4.03Å; F2492-E2947 WeakPolarHBondContact CZ-OE1 3.37Å
2493	R	53.9	Low	63.3	Low	173.75 Å²	173.75	86.8 Å²	86.8	66%	0.656	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.2	178.5	-67.1	-173.1	177.5	-124.1	-4.4	112.5	E2491 R2495 Y2496 S2549 D3215	E2491-R2493 PolarHBondContact O-N 2.97Å; E2491-R2493 VanDerWaalsContact O-N 3.08Å; E2491-R2493 IonicContact OE1-NH1 3.18Å; E2491-R2493 PolarHBondContact OE1-NH1 3.1Å; E2491-R2493 WeakPolarHBondContact OE2-CD 3.24Å; E2491-R2493 WeakPolarHBondContact OE2-CG 3.48Å; E2491-R2493 IonicContact OE2-CZ 3.6Å; E2491-R2493 VanDerWaalsContact OE2-CZ 3.3Å; E2491-R2493 IonicContact OE2-NE 2.89Å; E2491-R2493 PolarHBondContact OE2-NE 3.26Å; E2491-R2493 IonicContact OE2-NH1 3.19Å; E2491-R2493 PolarHBondContact OE2-NH1 2.85Å; R2493-R2495 PolarHBondContact O-N 2.86Å; R2493-Y2496 HydrophobicContact CB-CD2 4.39Å; R2493-Y2496 PolarHBondContact O-N 2.83Å; R2493-S2549 VanDerWaalsContact CZ-OG 3.27Å; R2493-S2549 PolarHBondContact NE-OG 2.79Å; R2493-S2549 VanDerWaalsContact NE-OG 3.12Å; R2493-S2549 PolarHBondContact NH2-OG 3.44Å; R2493-D3215 IonicContact CZ-OD1 3.72Å; R2493-D3215 IonicContact NH1-OD1 3.97Å; R2493-D3215 IonicContact NH1-OD2 2.73Å; R2493-D3215 IonicContact NH2-OD1 3.5Å; R2493-D3215 PolarHBondContact NH2-OD1 2.85Å; R2493-D3215 IonicContact NH2-OD2 2.67Å
2494	D	51.5	Low	63.7	Low	57.5 Å²	57.5	83.7 Å²	83.7	31%	0.307	38%	0.379	S	S	.	.			trans	-63.8	54.8	-175.9	-123.1	-13.3	0	0	0	112.9	R2490 E2491 Y2496 Q2497	R2490-D2494 HydrophobicContact CG-CB 3.87Å; R2490-D2494 PolarHBondContact NH2-O 3.37Å; E2491-D2494 HydrophobicContact CB-CB 4.03Å; E2491-D2494 WeakPolarHBondContact O-CB 3.17Å; E2491-D2494 PolarHBondContact O-N 2.87Å; E2491-D2494 VanDerWaalsContact O-N 3.12Å; D2494-Y2496 VanDerWaalsContact C-N 3.3Å; D2494-Y2496 PolarHBondContact O-N 2.81Å; D2494-Y2496 WeakPolarHBondContact OD1-CB 3.49Å; D2494-Y2496 WeakPolarHBondContact OD1-CD2 3.45Å; D2494-Y2496 PolarHBondContact OD1-N 3.16Å; D2494-Y2496 WeakPolarHBondContact OD2-CD2 3.4Å; D2494-Q2497 WeakPolarHBondContact O-CG 3.26Å; D2494-Q2497 PolarHBondContact O-N 3.12Å; D2494-Q2497 PolarHBondContact OD1-NE2 3.46Å
2495	R	48.8	Very low	64	Low	203.75 Å²	203.75	84.7 Å²	84.7	77%	0.769	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-76.2	-12.8	-179.7	-68.9	-174.8	-69.3	-158.3	-0.5	113.1	F2492 R2493 Q2497	F2492-R2495 PolarHBondContact O-NE 3.46Å; R2493-R2495 PolarHBondContact O-N 2.86Å; R2495-Q2497 PolarHBondContact O-N 2.97Å
2496	Y	53.8	Low	64.5	Low	113.25 Å²	113.25	79.6 Å²	79.6	44%	0.444	36%	0.364	S	S	.	.			trans	-89	43.1	177.4	-59.8	-66.5	0	0	0	112.5	E2491 R2493 D2494 R2498 G2499 G2501 P2526 S2527 G2528	E2491-Y2496 HydrophobicContact CB-CD2 4.37Å; R2493-Y2496 HydrophobicContact CB-CD2 4.39Å; R2493-Y2496 PolarHBondContact O-N 2.83Å; D2494-Y2496 VanDerWaalsContact C-N 3.3Å; D2494-Y2496 PolarHBondContact O-N 2.81Å; D2494-Y2496 WeakPolarHBondContact OD1-CB 3.49Å; D2494-Y2496 WeakPolarHBondContact OD1-CD2 3.45Å; D2494-Y2496 PolarHBondContact OD1-N 3.16Å; D2494-Y2496 WeakPolarHBondContact OD2-CD2 3.4Å; Y2496-R2498 VanDerWaalsContact C-N 3.27Å; Y2496-R2498 CarbonylContact C-O 3.58Å; Y2496-R2498 PolarHBondContact O-N 3.01Å; Y2496-G2499 CarbonylContact O-C 3.35Å; Y2496-G2499 PolarHBondContact O-N 2.92Å; Y2496-G2499 VanDerWaalsContact O-N 3.13Å; Y2496-G2501 PolarHBondContact O-N 3.42Å; Y2496-P2526 WeakPolarHBondContact CE1-O 3.37Å; Y2496-P2526 VanDerWaalsContact CE2-O 3.31Å; Y2496-P2526 WeakPolarHBondContact CE2-O 3.23Å; Y2496-P2526 PolarHBondContact OH-O 3.17Å; Y2496-P2526 VanDerWaalsContact OH-O 3.13Å; Y2496-S2527 WeakPolarHBondContact OH-CB 3.46Å; Y2496-S2527 PolarHBondContact OH-O 3.25Å; Y2496-G2528 VanDerWaalsContact CE1-CA 3.43Å
2497	Q	54.1	Low	64.7	Low	165.25 Å²	165.25	79.8 Å²	79.8	77%	0.772	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.1	173.5	-66.3	-175.6	4.2	0	0	112.7	D2494 R2495 G2499 G2500	D2494-Q2497 WeakPolarHBondContact O-CG 3.26Å; D2494-Q2497 PolarHBondContact O-N 3.12Å; D2494-Q2497 PolarHBondContact OD1-NE2 3.46Å; R2495-Q2497 PolarHBondContact O-N 2.97Å; Q2497-G2499 VanDerWaalsContact C-N 3.29Å; Q2497-G2499 PolarHBondContact O-N 2.96Å; Q2497-G2500 PolarHBondContact O-N 3.04Å; Q2497-G2500 VanDerWaalsContact O-N 3.16Å
2498	R	54.3	Low	65	Low	186.5 Å²	186.5	76.1 Å²	76.1	70%	0.704	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-70	97.8	170.2	-84.7	-174.4	165.2	-155.5	-4.7	110.8	Y2496 R2505 E2523 Y2525	Y2496-R2498 VanDerWaalsContact C-N 3.27Å; Y2496-R2498 CarbonylContact C-O 3.58Å; Y2496-R2498 PolarHBondContact O-N 3.01Å; R2498-R2505 VanDerWaalsContact NH1-NH2 3.2Å; R2498-E2523 IonicContact CZ-OE1 3.71Å; R2498-E2523 IonicContact CZ-OE2 3.38Å; R2498-E2523 IonicContact NH1-OE1 3.04Å; R2498-E2523 PolarHBondContact NH1-OE1 3.12Å; R2498-E2523 IonicContact NH1-OE2 2.76Å; R2498-E2523 PolarHBondContact NH1-OE2 3.03Å; R2498-E2523 IonicContact NH2-OE1 3.96Å; R2498-E2523 IonicContact NH2-OE2 3.88Å; R2498-Y2525 HydrophobicContact CB-CE1 4.18Å; R2498-Y2525 HydrophobicContact CB-CE2 4Å; R2498-Y2525 HydrophobicContact CG-CE1 4.41Å; R2498-Y2525 WeakPolarHBondContact O-CE2 3.37Å
2499	G	57.9	Low	65.2	Low	31 Å²	31	76.9 Å²	76.9	32%	0.32	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	119.2	16.9	179.9	0	0	0	0	0	114.2	Y2496 Q2497 G2501 I2502 G2503 M2504 Y2525	Y2496-G2499 CarbonylContact O-C 3.35Å; Y2496-G2499 PolarHBondContact O-N 2.92Å; Y2496-G2499 VanDerWaalsContact O-N 3.13Å; Q2497-G2499 VanDerWaalsContact C-N 3.29Å; Q2497-G2499 PolarHBondContact O-N 2.96Å; G2499-G2501 VanDerWaalsContact C-N 3.32Å; G2499-G2501 PolarHBondContact O-N 3.21Å; G2499-I2502 WeakPolarHBondContact O-CG1 3.18Å; G2499-I2502 PolarHBondContact O-N 3.01Å; G2499-G2503 PolarHBondContact O-N 2.86Å; G2499-M2504 WeakPolarHBondContact CA-O 3.4Å; G2499-Y2525 VanDerWaalsContact CA-CE2 3.43Å
2500	G	61.2	Low	65.7	Low	27.5 Å²	27.5	77 Å²	77	28%	0.284	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	44.9	27.6	174.1	0	0	0	0	0	115.2	R2490 Q2497 I2502	R2490-G2500 PolarHBondContact NE-O 3.21Å; R2490-G2500 PolarHBondContact NH1-O 2.91Å; R2490-G2500 PolarHBondContact NH2-O 3.07Å; R2490-G2500 VanDerWaalsContact NH2-O 3.13Å; Q2497-G2500 PolarHBondContact O-N 3.04Å; Q2497-G2500 VanDerWaalsContact O-N 3.16Å; G2500-I2502 VanDerWaalsContact C-N 3.33Å; G2500-I2502 PolarHBondContact O-N 2.81Å
2501	G	65.4	Low	66.3	Low	15 Å²	15	78.7 Å²	78.7	16%	0.155	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	73.5	21.2	-177.9	0	0	0	0	0	114.1	R2490 E2491 Y2496 G2499 G2503	R2490-G2501 WeakPolarHBondContact CG-O 3.21Å; E2491-G2501 PolarHBondContact N-O 3.23Å; Y2496-G2501 PolarHBondContact O-N 3.42Å; G2499-G2501 VanDerWaalsContact C-N 3.32Å; G2499-G2501 PolarHBondContact O-N 3.21Å; G2501-G2503 PolarHBondContact O-N 2.54Å
2502	I	71.3	Confident	67.1	Low	22.25 Å²	22.25	77.4 Å²	77.4	11%	0.114	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.2	174.1	-48.2	165.9	0	0	0	110.6	L2488 R2490 G2499 G2500 M2504 I2506 P2529 A2530 W2925 T2949	L2488-I2502 HydrophobicContact CB-CD1 4.35Å; L2488-I2502 HydrophobicContact CB-CG2 4.14Å; L2488-I2502 HydrophobicContact CD1-CG2 3.78Å; L2488-I2502 HydrophobicContact CG-CG2 4.41Å; L2488-I2502 WeakPolarHBondContact O-CD1 3.37Å; R2490-I2502 HydrophobicContact CB-CD1 4.26Å; R2490-I2502 HydrophobicContact CB-CG1 4.34Å; R2490-I2502 HydrophobicContact CG-CG1 4.36Å; G2499-I2502 WeakPolarHBondContact O-CG1 3.18Å; G2499-I2502 PolarHBondContact O-N 3.01Å; G2500-I2502 VanDerWaalsContact C-N 3.33Å; G2500-I2502 PolarHBondContact O-N 2.81Å; I2502-M2504 VanDerWaalsContact C-N 3.33Å; I2502-M2504 HydrophobicContact CD1-CG 3.37Å; I2502-M2504 HydrophobicContact CD1-SD 4.07Å; I2502-M2504 HydrophobicContact CG1-CG 3.99Å; I2502-M2504 HydrophobicContact CG2-CG 4.29Å; I2502-M2504 PolarHBondContact O-N 2.83Å; I2502-I2506 HydrophobicContact CD1-CD1 4.22Å; I2502-P2529 WeakPolarHBondContact O-CB 3.39Å; I2502-A2530 PolarHBondContact O-N 3.08Å; I2502-A2530 VanDerWaalsContact O-N 3.1Å; I2502-W2925 HydrophobicContact CD1-CH2 3.58Å; I2502-W2925 VanDerWaalsContact CD1-CH2 3.45Å; I2502-W2925 HydrophobicContact CD1-CZ2 3.63Å; I2502-W2925 HydrophobicContact CD1-CZ3 3.66Å; I2502-W2925 HydrophobicContact CG2-CH2 4.36Å; I2502-T2949 HydrophobicContact CD1-CG2 4.29Å; I2502-T2949 WeakPolarHBondContact CD1-OG1 2.85Å
2503	G	72.9	Confident	68.2	Low	1.25 Å²	1.25	76.9 Å²	76.9	1%	0.013	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	21.4	-177.2	0	0	0	0	0	114.9	G2499 G2501 I2524 Y2525 A2530	G2499-G2503 PolarHBondContact O-N 2.86Å; G2501-G2503 PolarHBondContact O-N 2.54Å; G2503-I2524 CarbonylContact O-C 3.25Å; G2503-I2524 VanDerWaalsContact O-CA 3.24Å; G2503-I2524 WeakPolarHBondContact O-CA 3.37Å; G2503-Y2525 PolarHBondContact O-N 3Å; G2503-A2530 WeakPolarHBondContact O-CB 3.48Å
2504	M	79.1	Confident	69.4	Low	12.5 Å²	12.5	72.3 Å²	72.3	6%	0.062	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.9	177.5	129	171.9	72.6	0	0	112	L2488 G2499 I2502 I2506 V2521 E2523 I2524 A2530 I2916 I2922 L2951	L2488-M2504 HydrophobicContact CD1-CE 3.65Å; G2499-M2504 WeakPolarHBondContact CA-O 3.4Å; I2502-M2504 VanDerWaalsContact C-N 3.33Å; I2502-M2504 HydrophobicContact CD1-CG 3.37Å; I2502-M2504 HydrophobicContact CD1-SD 4.07Å; I2502-M2504 HydrophobicContact CG1-CG 3.99Å; I2502-M2504 HydrophobicContact CG2-CG 4.29Å; I2502-M2504 PolarHBondContact O-N 2.83Å; M2504-I2506 HydrophobicContact CE-CD1 3.9Å; M2504-I2506 HydrophobicContact CE-CG1 3.92Å; M2504-I2506 HydrophobicContact CG-CD1 4.28Å; M2504-I2506 HydrophobicContact CG-CG1 4.28Å; M2504-I2506 HydrophobicContact SD-CD1 3.79Å; M2504-I2506 HydrophobicContact SD-CG1 3.91Å; M2504-V2521 HydrophobicContact CE-CG2 4.21Å; M2504-V2521 HydrophobicContact CG-CB 4.48Å; M2504-V2521 HydrophobicContact CG-CG1 3.68Å; M2504-V2521 HydrophobicContact CG-CG2 4.24Å; M2504-V2521 HydrophobicContact SD-CB 4.25Å; M2504-V2521 HydrophobicContact SD-CG1 3.96Å; M2504-V2521 HydrophobicContact SD-CG2 3.99Å; M2504-V2521 VanDerWaalsContact SD-CG2 3.56Å; M2504-E2523 CarbonylContact C-O 3.42Å; M2504-E2523 VanDerWaalsContact CA-O 3.28Å; M2504-E2523 WeakPolarHBondContact CA-O 3.35Å; M2504-E2523 WeakPolarHBondContact CB-O 3.23Å; M2504-I2524 HydrophobicContact CB-CG1 4.35Å; M2504-I2524 HydrophobicContact CG-CG1 4.12Å; M2504-I2524 HydrophobicContact SD-CG1 4.29Å; M2504-A2530 HydrophobicContact CB-CB 3.98Å; M2504-A2530 HydrophobicContact CE-CB 3.46Å; M2504-A2530 VanDerWaalsContact CE-CB 3.46Å; M2504-A2530 HydrophobicContact CG-CB 4.39Å; M2504-A2530 HydrophobicContact SD-CB 4.26Å; M2504-I2916 HydrophobicContact CE-CD1 3.64Å; M2504-I2916 HydrophobicContact CE-CG2 4.05Å; M2504-I2916 HydrophobicContact SD-CD1 4.18Å; M2504-I2922 HydrophobicContact SD-CD1 4.23Å; M2504-L2951 HydrophobicContact CE-CD1 3.85Å; M2504-L2951 HydrophobicContact SD-CD1 4.02Å
2505	R	77.4	Confident	70.7	Confident	86.5 Å²	86.5	72.2 Å²	72.2	33%	0.326	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.2	169.2	-175.4	-170.7	-64.9	-88.9	1.1	109.2	R2498 E2522 E2523 Y2525	R2498-R2505 VanDerWaalsContact NH1-NH2 3.2Å; R2505-E2522 WeakPolarHBondContact CD-OE2 3.37Å; R2505-E2522 HydrophobicContact CG-CB 4.31Å; R2505-E2522 IonicContact NE-OE2 3.55Å; R2505-E2522 PolarHBondContact O-N 3.25Å; R2505-E2523 HydrophobicContact CB-CB 3.86Å; R2505-E2523 IonicContact CZ-OE2 3.75Å; R2505-E2523 PolarHBondContact N-O 3.19Å; R2505-E2523 IonicContact NE-OE2 3.59Å; R2505-E2523 PolarHBondContact NE-OE2 2.89Å; R2505-E2523 IonicContact NH2-OE2 3.14Å; R2505-E2523 PolarHBondContact NH2-OE2 2.9Å; R2505-E2523 PolarHBondContact O-N 3.08Å; R2505-Y2525 HydrophobicContact CB-CE2 4.38Å; R2505-Y2525 VanDerWaalsContact CZ-OH 3.31Å; R2505-Y2525 PolarHBondContact NE-OH 3.13Å; R2505-Y2525 VanDerWaalsContact NE-OH 3.1Å; R2505-Y2525 PolarHBondContact NH2-OH 3.24Å; R2505-Y2525 VanDerWaalsContact NH2-OH 3.1Å
2506	I	81.7	Confident	72.3	Confident	31 Å²	31	66.6 Å²	66.6	16%	0.159	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.5	176.5	-54.3	164.3	0	0	0	107.9	I2502 M2504 A2519 F2520 I2922 W2925 V2938 Q2939 I2942	I2502-I2506 HydrophobicContact CD1-CD1 4.22Å; M2504-I2506 HydrophobicContact CE-CD1 3.9Å; M2504-I2506 HydrophobicContact CE-CG1 3.92Å; M2504-I2506 HydrophobicContact CG-CD1 4.28Å; M2504-I2506 HydrophobicContact CG-CG1 4.28Å; M2504-I2506 HydrophobicContact SD-CD1 3.79Å; M2504-I2506 HydrophobicContact SD-CG1 3.91Å; I2506-A2519 HydrophobicContact CG2-CB 4.1Å; I2506-F2520 CarbonylContact C-O 3.51Å; I2506-F2520 VanDerWaalsContact CA-O 3.29Å; I2506-F2520 WeakPolarHBondContact CA-O 3.38Å; I2506-F2520 WeakPolarHBondContact CG2-O 3.39Å; I2506-I2922 HydrophobicContact CB-CD1 4.48Å; I2506-I2922 HydrophobicContact CD1-CD1 3.4Å; I2506-I2922 VanDerWaalsContact CD1-CD1 3.42Å; I2506-I2922 HydrophobicContact CG1-CD1 3.62Å; I2506-I2922 HydrophobicContact CG2-CD1 4.15Å; I2506-W2925 HydrophobicContact CD1-CE3 3.99Å; I2506-W2925 HydrophobicContact CD1-CH2 4.35Å; I2506-W2925 HydrophobicContact CD1-CZ3 3.51Å; I2506-W2925 VanDerWaalsContact CD1-CZ3 3.41Å; I2506-V2938 HydrophobicContact CG2-CG1 4.41Å; I2506-Q2939 PolarHBondContact O-NE2 3.12Å; I2506-I2942 HydrophobicContact CB-CD1 3.68Å; I2506-I2942 HydrophobicContact CD1-CD1 3.93Å; I2506-I2942 HydrophobicContact CD1-CG1 4.32Å; I2506-I2942 HydrophobicContact CG1-CD1 4.42Å; I2506-I2942 HydrophobicContact CG2-CD1 3.84Å
2507	V	80	Confident	73.7	Confident	44.75 Å²	44.75	64.4 Å²	64.4	27%	0.271	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131	172	-128.4	0	0	0	0	109.4	A2519 F2520 E2522 F2935	V2507-A2519 CarbonylContact O-C 3.58Å; V2507-A2519 VanDerWaalsContact O-CA 3.25Å; V2507-A2519 WeakPolarHBondContact O-CA 3.34Å; V2507-F2520 HydrophobicContact CG2-CB 4.43Å; V2507-F2520 PolarHBondContact N-O 3.28Å; V2507-F2520 PolarHBondContact O-N 3.12Å; V2507-E2522 HydrophobicContact CG1-CB 4.08Å; V2507-E2522 HydrophobicContact CG1-CG 4.4Å; V2507-E2522 WeakPolarHBondContact CG1-OE2 3.41Å; V2507-E2522 HydrophobicContact CG2-CB 3.92Å; V2507-E2522 HydrophobicContact CG2-CG 4.23Å; V2507-E2522 WeakPolarHBondContact CG2-OE2 3.38Å; V2507-F2935 HydrophobicContact CG1-CE2 4.35Å
2508	G	79.3	Confident	75.1	Confident	18.5 Å²	18.5	56.6 Å²	56.6	19%	0.191	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	164.8	175.6	0	0	0	0	0	113	H2510 G2518 F2935	G2508-H2510 PolarHBondContact O-N 3.1Å; G2508-G2518 CarbonylContact C-O 3.46Å; G2508-F2935 WeakPolarHBondContact O-CA 3.45Å; G2508-F2935 WeakPolarHBondContact O-CB 3.26Å
2509	G	77.7	Confident	76.5	Confident	33.5 Å²	33.5	48 Å²	48	35%	0.345	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.4	30.4	175	0	0	0	0	0	114.4	L2517 G2518 K2933	G2509-L2517 VanDerWaalsContact C-CD1 3.48Å; G2509-L2517 WeakPolarHBondContact O-CD1 3.41Å; G2509-G2518 WeakPolarHBondContact CA-O 3.44Å; G2509-G2518 PolarHBondContact N-O 3.06Å; G2509-K2933 PolarHBondContact N-O 3.25Å
2510	H	78.3	Confident	77.7	Confident	121 Å²	121	48.5 Å²	48.5	56%	0.56	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.3	169.7	-171.9	55	0	0	0	109.7	G2508 R2512 L2517 G2518 F2520	G2508-H2510 PolarHBondContact O-N 3.1Å; H2510-R2512 PolarHBondContact O-N 3.15Å; H2510-R2512 VanDerWaalsContact O-N 3.17Å; H2510-L2517 CarbonylContact O-C 3.33Å; H2510-L2517 WeakPolarHBondContact O-CA 3.18Å; H2510-G2518 PolarHBondContact N-O 3.31Å; H2510-G2518 PolarHBondContact O-N 3.11Å; H2510-F2520 HydrophobicContact CB-CD2 3.95Å; H2510-F2520 HydrophobicContact CB-CE2 3.88Å; H2510-F2520 AromaticContact CD2-CE2 3.92Å
2511	I	79.3	Confident	78.7	Confident	111.75 Å²	111.75	47.6 Å²	47.6	57%	0.573	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.4	-179.4	-59.3	175.1	0	0	0	108.9	N2516 L2517	I2511-N2516 CarbonylContact C-O 3.53Å; I2511-N2516 WeakPolarHBondContact CA-O 3.29Å; I2511-L2517 HydrophobicContact CG1-CD1 4.18Å; I2511-L2517 HydrophobicContact CG1-CD2 4.21Å
2512	R	77.2	Confident	79.4	Confident	35.25 Å²	35.25	52.2 Å²	52.2	13%	0.133	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-74.4	166.2	174.9	-92.8	165.6	62.7	127.7	-0.2	110.9	T2478 D2480 H2510 D2514 G2515 N2516 F2520 E2921	T2478-R2512 VanDerWaalsContact CG2-NH1 3.27Å; D2480-R2512 IonicContact OD1-CZ 2.62Å; D2480-R2512 IonicContact OD1-NE 2.98Å; D2480-R2512 IonicContact OD1-NH1 3.23Å; D2480-R2512 PolarHBondContact OD1-NH1 3.35Å; D2480-R2512 IonicContact OD1-NH2 2.64Å; D2480-R2512 IonicContact OD2-CZ 2.8Å; D2480-R2512 VanDerWaalsContact OD2-CZ 3.23Å; D2480-R2512 IonicContact OD2-NH1 2.86Å; D2480-R2512 PolarHBondContact OD2-NH1 2.94Å; D2480-R2512 IonicContact OD2-NH2 2.65Å; D2480-R2512 PolarHBondContact OD2-NH2 3.04Å; H2510-R2512 PolarHBondContact O-N 3.15Å; H2510-R2512 VanDerWaalsContact O-N 3.17Å; R2512-D2514 VanDerWaalsContact CB-OD1 3.31Å; R2512-D2514 WeakPolarHBondContact CB-OD1 3.41Å; R2512-D2514 WeakPolarHBondContact CG-OD1 3.29Å; R2512-D2514 IonicContact CZ-OD1 2.92Å; R2512-D2514 IonicContact CZ-OD2 3.66Å; R2512-D2514 VanDerWaalsContact CZ-OD2 3.31Å; R2512-D2514 VanDerWaalsContact NE-CG 3.31Å; R2512-D2514 IonicContact NE-OD1 2.83Å; R2512-D2514 PolarHBondContact NE-OD1 2.85Å; R2512-D2514 IonicContact NE-OD2 3.08Å; R2512-D2514 PolarHBondContact NE-OD2 2.97Å; R2512-D2514 IonicContact NH2-OD1 2.69Å; R2512-D2514 IonicContact NH2-OD2 3.48Å; R2512-D2514 PolarHBondContact NH2-OD2 2.85Å; R2512-D2514 PolarHBondContact O-N 2.89Å; R2512-D2514 VanDerWaalsContact O-N 3.1Å; R2512-G2515 WeakPolarHBondContact O-CA 3.46Å; R2512-G2515 PolarHBondContact O-N 3.17Å; R2512-N2516 WeakPolarHBondContact CB-O 3.24Å; R2512-N2516 WeakPolarHBondContact CG-O 3.5Å; R2512-N2516 PolarHBondContact N-O 3.3Å; R2512-F2520 HydrophobicContact CB-CZ 4.42Å; R2512-F2520 HydrophobicContact CG-CZ 4.23Å; R2512-E2921 VanDerWaalsContact CD-OE1 3.26Å; R2512-E2921 WeakPolarHBondContact CD-OE1 3.4Å; R2512-E2921 VanDerWaalsContact CG-OE1 3.26Å; R2512-E2921 WeakPolarHBondContact CG-OE1 3.43Å; R2512-E2921 IonicContact CZ-OE1 3.17Å; R2512-E2921 IonicContact CZ-OE2 3.18Å; R2512-E2921 IonicContact NE-OE1 2.66Å; R2512-E2921 VanDerWaalsContact NH1-CD 3.26Å; R2512-E2921 IonicContact NH1-OE1 3.4Å; R2512-E2921 PolarHBondContact NH1-OE1 3.32Å; R2512-E2921 IonicContact NH1-OE2 3.08Å; R2512-E2921 PolarHBondContact NH1-OE2 3.1Å; R2512-E2921 VanDerWaalsContact NH1-OE2 3.12Å
2513	S	77.8	Confident	79.7	Confident	124 Å²	124	54.3 Å²	54.3	87%	0.867	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.8	175.9	50.7	0	0	0	0	115	G2515	S2513-G2515 VanDerWaalsContact C-N 3.34Å
2514	D	78.7	Confident	79.9	Confident	76.75 Å²	76.75	56 Å²	56	41%	0.41	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.6	172.8	65.1	-0.4	0	0	0	113.8	R2512 N2516	R2512-D2514 VanDerWaalsContact CB-OD1 3.31Å; R2512-D2514 WeakPolarHBondContact CB-OD1 3.41Å; R2512-D2514 WeakPolarHBondContact CG-OD1 3.29Å; R2512-D2514 IonicContact CZ-OD1 2.92Å; R2512-D2514 IonicContact CZ-OD2 3.66Å; R2512-D2514 VanDerWaalsContact CZ-OD2 3.31Å; R2512-D2514 VanDerWaalsContact NE-CG 3.31Å; R2512-D2514 IonicContact NE-OD1 2.83Å; R2512-D2514 PolarHBondContact NE-OD1 2.85Å; R2512-D2514 IonicContact NE-OD2 3.08Å; R2512-D2514 PolarHBondContact NE-OD2 2.97Å; R2512-D2514 IonicContact NH2-OD1 2.69Å; R2512-D2514 IonicContact NH2-OD2 3.48Å; R2512-D2514 PolarHBondContact NH2-OD2 2.85Å; R2512-D2514 PolarHBondContact O-N 2.89Å; R2512-D2514 VanDerWaalsContact O-N 3.1Å; D2514-N2516 VanDerWaalsContact C-N 3.28Å; D2514-N2516 PolarHBondContact O-N 3.21Å; D2514-N2516 PolarHBondContact O-ND2 2.9Å; D2514-N2516 VanDerWaalsContact OD1-CB 3.32Å; D2514-N2516 WeakPolarHBondContact OD1-CB 3.36Å; D2514-N2516 PolarHBondContact OD1-N 2.89Å; D2514-N2516 VanDerWaalsContact OD1-N 3.1Å; D2514-N2516 PolarHBondContact OD1-ND2 2.84Å; D2514-N2516 PolarHBondContact OD2-ND2 3.36Å
2515	G	78.9	Confident	79.7	Confident	54.75 Å²	54.75	57 Å²	57	56%	0.564	32%	0.317	S	S	*	.	S	Bend	trans	82.9	-3	-178.2	0	0	0	0	0	115.2	R2512 S2513	R2512-G2515 WeakPolarHBondContact O-CA 3.46Å; R2512-G2515 PolarHBondContact O-N 3.17Å; S2513-G2515 VanDerWaalsContact C-N 3.34Å
2516	N	82.4	Confident	79.3	Confident	85.5 Å²	85.5	57.2 Å²	57.2	46%	0.457	33%	0.33	S	S	.	.	S	Bend	trans	-86.4	158.6	177.7	-64.6	-62.4	0	0	0	111.8	I2511 R2512 D2514 G2518 V2931	I2511-N2516 CarbonylContact C-O 3.53Å; I2511-N2516 WeakPolarHBondContact CA-O 3.29Å; R2512-N2516 WeakPolarHBondContact CB-O 3.24Å; R2512-N2516 WeakPolarHBondContact CG-O 3.5Å; R2512-N2516 PolarHBondContact N-O 3.3Å; D2514-N2516 VanDerWaalsContact C-N 3.28Å; D2514-N2516 PolarHBondContact O-N 3.21Å; D2514-N2516 PolarHBondContact O-ND2 2.9Å; D2514-N2516 VanDerWaalsContact OD1-CB 3.32Å; D2514-N2516 WeakPolarHBondContact OD1-CB 3.36Å; D2514-N2516 PolarHBondContact OD1-N 2.89Å; D2514-N2516 VanDerWaalsContact OD1-N 3.1Å; D2514-N2516 PolarHBondContact OD1-ND2 2.84Å; D2514-N2516 PolarHBondContact OD2-ND2 3.36Å; N2516-G2518 PolarHBondContact O-N 3Å; N2516-V2931 HydrophobicContact CB-CG1 4.49Å
2517	L	82.8	Confident	78.5	Confident	68.75 Å²	68.75	60 Å²	60	36%	0.36	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.7	172	-74.4	161.4	0	0	0	110.5	G2509 H2510 I2511 G2932 K2933 T2934	G2509-L2517 VanDerWaalsContact C-CD1 3.48Å; G2509-L2517 WeakPolarHBondContact O-CD1 3.41Å; H2510-L2517 CarbonylContact O-C 3.33Å; H2510-L2517 WeakPolarHBondContact O-CA 3.18Å; I2511-L2517 HydrophobicContact CG1-CD1 4.18Å; I2511-L2517 HydrophobicContact CG1-CD2 4.21Å; L2517-G2932 PolarHBondContact O-N 3.01Å; L2517-K2933 WeakPolarHBondContact CB-O 3.26Å; L2517-K2933 WeakPolarHBondContact CD1-O 3.33Å; L2517-T2934 HydrophobicContact CD1-CG2 4.31Å
2518	G	82.9	Confident	78	Confident	0.25 Å²	0.25	58 Å²	58	0%	0.003	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	165.1	174.1	0	0	0	0	0	112.3	G2508 G2509 H2510 N2516 F2520	G2508-G2518 CarbonylContact C-O 3.46Å; G2509-G2518 WeakPolarHBondContact CA-O 3.44Å; G2509-G2518 PolarHBondContact N-O 3.06Å; H2510-G2518 PolarHBondContact N-O 3.31Å; H2510-G2518 PolarHBondContact O-N 3.11Å; N2516-G2518 PolarHBondContact O-N 3Å; G2518-F2520 WeakPolarHBondContact O-CD2 3.3Å; G2518-F2520 WeakPolarHBondContact O-CE2 3.23Å
2519	A	84.8	Confident	77.5	Confident	6.75 Å²	6.75	57.8 Å²	57.8	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134	173.6	0	0	0	0	0	110.6	F2481 I2506 V2507 E2921 I2922 L2930 V2938	F2481-A2519 HydrophobicContact CD2-CB 4.14Å; F2481-A2519 HydrophobicContact CE2-CB 4.48Å; I2506-A2519 HydrophobicContact CG2-CB 4.1Å; V2507-A2519 CarbonylContact O-C 3.58Å; V2507-A2519 VanDerWaalsContact O-CA 3.25Å; V2507-A2519 WeakPolarHBondContact O-CA 3.34Å; A2519-E2921 CarbonylContact O-C 3.43Å; A2519-E2921 WeakPolarHBondContact O-CA 3.27Å; A2519-E2921 WeakPolarHBondContact O-CG 3.24Å; A2519-I2922 PolarHBondContact O-N 3.12Å; A2519-L2930 HydrophobicContact CB-CB 3.81Å; A2519-L2930 HydrophobicContact CB-CD1 3.67Å; A2519-L2930 HydrophobicContact CB-CG 4.4Å; A2519-V2938 HydrophobicContact CB-CG1 4.07Å; A2519-V2938 HydrophobicContact CB-CG2 4.28Å
2520	F	83.1	Confident	77.1	Confident	41.75 Å²	41.75	56.3 Å²	56.3	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.5	-170.2	-63.8	-97	0	0	0	111.3	T2478 I2506 V2507 H2510 R2512 G2518 E2522 D2920 E2921	T2478-F2520 HydrophobicContact CG2-CD1 4.26Å; T2478-F2520 HydrophobicContact CG2-CE1 3.51Å; T2478-F2520 HydrophobicContact CG2-CE2 4.4Å; T2478-F2520 HydrophobicContact CG2-CZ 3.58Å; T2478-F2520 WeakPolarHBondContact OG1-CE1 3.42Å; I2506-F2520 CarbonylContact C-O 3.51Å; I2506-F2520 VanDerWaalsContact CA-O 3.29Å; I2506-F2520 WeakPolarHBondContact CA-O 3.38Å; I2506-F2520 WeakPolarHBondContact CG2-O 3.39Å; V2507-F2520 HydrophobicContact CG2-CB 4.43Å; V2507-F2520 PolarHBondContact N-O 3.28Å; V2507-F2520 PolarHBondContact O-N 3.12Å; H2510-F2520 HydrophobicContact CB-CD2 3.95Å; H2510-F2520 HydrophobicContact CB-CE2 3.88Å; H2510-F2520 AromaticContact CD2-CE2 3.92Å; R2512-F2520 HydrophobicContact CB-CZ 4.42Å; R2512-F2520 HydrophobicContact CG-CZ 4.23Å; G2518-F2520 WeakPolarHBondContact O-CD2 3.3Å; G2518-F2520 WeakPolarHBondContact O-CE2 3.23Å; F2520-E2522 PolarHBondContact O-N 2.84Å; F2520-D2920 WeakPolarHBondContact CA-O 3.48Å; F2520-E2921 HydrophobicContact CD1-CB 3.77Å; F2520-E2921 HydrophobicContact CD1-CG 3.99Å; F2520-E2921 HydrophobicContact CE1-CB 3.6Å; F2520-E2921 HydrophobicContact CE1-CG 3.63Å; F2520-E2921 HydrophobicContact CE2-CG 4.45Å; F2520-E2921 HydrophobicContact CZ-CB 4.35Å; F2520-E2921 HydrophobicContact CZ-CG 3.88Å; F2520-E2921 WeakPolarHBondContact CZ-OE1 3.05Å
2521	V	82.3	Confident	76.6	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.9	173	-179	0	0	0	0	109.8	M2504 I2524 I2916 H2917 I2918 G2919 D2920 I2922	M2504-V2521 HydrophobicContact CE-CG2 4.21Å; M2504-V2521 HydrophobicContact CG-CB 4.48Å; M2504-V2521 HydrophobicContact CG-CG1 3.68Å; M2504-V2521 HydrophobicContact CG-CG2 4.24Å; M2504-V2521 HydrophobicContact SD-CB 4.25Å; M2504-V2521 HydrophobicContact SD-CG1 3.96Å; M2504-V2521 HydrophobicContact SD-CG2 3.99Å; M2504-V2521 VanDerWaalsContact SD-CG2 3.56Å; V2521-I2524 HydrophobicContact CG1-CD1 4.26Å; V2521-I2524 HydrophobicContact CG1-CG1 3.77Å; V2521-I2916 HydrophobicContact CG2-CD1 3.76Å; V2521-I2916 HydrophobicContact CG2-CG1 4.2Å; V2521-H2917 WeakPolarHBondContact CB-O 3.34Å; V2521-I2918 HydrophobicContact CG1-CG1 4.46Å; V2521-G2919 PolarHBondContact O-N 3.04Å; V2521-D2920 HydrophobicContact CG2-CB 4.28Å; V2521-D2920 PolarHBondContact N-O 3.09Å; V2521-I2922 HydrophobicContact CG2-CD1 3.85Å; V2521-I2922 HydrophobicContact CG2-CG1 4.22Å
2522	E	79.1	Confident	75.8	Confident	111 Å²	111	53.2 Å²	53.2	52%	0.519	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-38.6	179.7	-179.5	-179.6	-151.6	0	0	112.4	R2505 V2507 F2520 I2918	R2505-E2522 WeakPolarHBondContact CD-OE2 3.37Å; R2505-E2522 HydrophobicContact CG-CB 4.31Å; R2505-E2522 IonicContact NE-OE2 3.55Å; R2505-E2522 PolarHBondContact O-N 3.25Å; V2507-E2522 HydrophobicContact CG1-CB 4.08Å; V2507-E2522 HydrophobicContact CG1-CG 4.4Å; V2507-E2522 WeakPolarHBondContact CG1-OE2 3.41Å; V2507-E2522 HydrophobicContact CG2-CB 3.92Å; V2507-E2522 HydrophobicContact CG2-CG 4.23Å; V2507-E2522 WeakPolarHBondContact CG2-OE2 3.38Å; F2520-E2522 PolarHBondContact O-N 2.84Å; E2522-I2918 WeakPolarHBondContact O-CG2 3.26Å
2523	E	77	Confident	75.1	Confident	66.75 Å²	66.75	53.1 Å²	53.1	31%	0.312	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	130.4	-173.2	-166.4	178.8	-165.2	0	0	109.2	R2498 M2504 R2505 Y2525	R2498-E2523 IonicContact CZ-OE1 3.71Å; R2498-E2523 IonicContact CZ-OE2 3.38Å; R2498-E2523 IonicContact NH1-OE1 3.04Å; R2498-E2523 PolarHBondContact NH1-OE1 3.12Å; R2498-E2523 IonicContact NH1-OE2 2.76Å; R2498-E2523 PolarHBondContact NH1-OE2 3.03Å; R2498-E2523 IonicContact NH2-OE1 3.96Å; R2498-E2523 IonicContact NH2-OE2 3.88Å; M2504-E2523 CarbonylContact C-O 3.42Å; M2504-E2523 VanDerWaalsContact CA-O 3.28Å; M2504-E2523 WeakPolarHBondContact CA-O 3.35Å; M2504-E2523 WeakPolarHBondContact CB-O 3.23Å; R2505-E2523 HydrophobicContact CB-CB 3.86Å; R2505-E2523 IonicContact CZ-OE2 3.75Å; R2505-E2523 PolarHBondContact N-O 3.19Å; R2505-E2523 IonicContact NE-OE2 3.59Å; R2505-E2523 PolarHBondContact NE-OE2 2.89Å; R2505-E2523 IonicContact NH2-OE2 3.14Å; R2505-E2523 PolarHBondContact NH2-OE2 2.9Å; R2505-E2523 PolarHBondContact O-N 3.08Å; E2523-Y2525 HydrophobicContact CB-CE1 4.49Å; E2523-Y2525 HydrophobicContact CG-CD1 4.31Å; E2523-Y2525 HydrophobicContact CG-CE1 3.83Å; E2523-Y2525 VanDerWaalsContact OE1-CE1 3.23Å; E2523-Y2525 WeakPolarHBondContact OE1-CE1 3.36Å; E2523-Y2525 VanDerWaalsContact OE2-CE1 3.29Å; E2523-Y2525 WeakPolarHBondContact OE2-CE1 3.25Å; E2523-Y2525 VanDerWaalsContact OE2-CZ 3.25Å; E2523-Y2525 PolarHBondContact OE2-OH 3.13Å
2524	I	78.4	Confident	73.6	Confident	37.75 Å²	37.75	53 Å²	53	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.9	167.4	-63.2	175.3	0	0	0	107.3	G2503 M2504 V2521 P2526 A2530 D2531 I2916 I2918	G2503-I2524 CarbonylContact O-C 3.25Å; G2503-I2524 VanDerWaalsContact O-CA 3.24Å; G2503-I2524 WeakPolarHBondContact O-CA 3.37Å; M2504-I2524 HydrophobicContact CB-CG1 4.35Å; M2504-I2524 HydrophobicContact CG-CG1 4.12Å; M2504-I2524 HydrophobicContact SD-CG1 4.29Å; V2521-I2524 HydrophobicContact CG1-CD1 4.26Å; V2521-I2524 HydrophobicContact CG1-CG1 3.77Å; I2524-P2526 WeakPolarHBondContact O-CD 3.22Å; I2524-A2530 HydrophobicContact CG2-CB 4.21Å; I2524-D2531 HydrophobicContact CG2-CB 4.01Å; I2524-I2916 HydrophobicContact CD1-CG2 4.09Å; I2524-I2916 WeakPolarHBondContact CD1-O 3.26Å; I2524-I2918 HydrophobicContact CB-CG1 4.41Å; I2524-I2918 HydrophobicContact CD1-CG1 4.21Å; I2524-I2918 HydrophobicContact CG1-CG1 3.99Å
2525	Y	74.5	Confident	71.6	Confident	32.25 Å²	32.25	51.5 Å²	51.5	13%	0.126	30%	0.296	C	S	.	.			trans	-87.7	119.1	-178	-65.8	-60.7	0	0	0	110.5	R2498 G2499 G2503 R2505 E2523 S2527 G2528 D2531	R2498-Y2525 HydrophobicContact CB-CE1 4.18Å; R2498-Y2525 HydrophobicContact CB-CE2 4Å; R2498-Y2525 HydrophobicContact CG-CE1 4.41Å; R2498-Y2525 WeakPolarHBondContact O-CE2 3.37Å; G2499-Y2525 VanDerWaalsContact CA-CE2 3.43Å; G2503-Y2525 PolarHBondContact O-N 3Å; R2505-Y2525 HydrophobicContact CB-CE2 4.38Å; R2505-Y2525 VanDerWaalsContact CZ-OH 3.31Å; R2505-Y2525 PolarHBondContact NE-OH 3.13Å; R2505-Y2525 VanDerWaalsContact NE-OH 3.1Å; R2505-Y2525 PolarHBondContact NH2-OH 3.24Å; R2505-Y2525 VanDerWaalsContact NH2-OH 3.1Å; E2523-Y2525 HydrophobicContact CB-CE1 4.49Å; E2523-Y2525 HydrophobicContact CG-CD1 4.31Å; E2523-Y2525 HydrophobicContact CG-CE1 3.83Å; E2523-Y2525 VanDerWaalsContact OE1-CE1 3.23Å; E2523-Y2525 WeakPolarHBondContact OE1-CE1 3.36Å; E2523-Y2525 VanDerWaalsContact OE2-CE1 3.29Å; E2523-Y2525 WeakPolarHBondContact OE2-CE1 3.25Å; E2523-Y2525 VanDerWaalsContact OE2-CZ 3.25Å; E2523-Y2525 PolarHBondContact OE2-OH 3.13Å; Y2525-S2527 VanDerWaalsContact C-N 3.28Å; Y2525-S2527 PolarHBondContact O-N 2.94Å; Y2525-G2528 PolarHBondContact O-N 3.04Å; Y2525-D2531 WeakPolarHBondContact O-CB 3.48Å
2526	P	68.3	Low	69.3	Low	91.75 Å²	91.75	56.9 Å²	56.9	60%	0.596	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	122.1	-176.9	14.1	-18.9	0	0	0	111.9	Y2496 I2524 G2528 D2531	Y2496-P2526 WeakPolarHBondContact CE1-O 3.37Å; Y2496-P2526 VanDerWaalsContact CE2-O 3.31Å; Y2496-P2526 WeakPolarHBondContact CE2-O 3.23Å; Y2496-P2526 PolarHBondContact OH-O 3.17Å; Y2496-P2526 VanDerWaalsContact OH-O 3.13Å; I2524-P2526 WeakPolarHBondContact O-CD 3.22Å; P2526-G2528 PolarHBondContact O-N 3.3Å; P2526-D2531 VanDerWaalsContact CA-OD2 3.27Å; P2526-D2531 WeakPolarHBondContact CA-OD2 3.38Å
2527	S	66.5	Low	67	Low	89.25 Å²	89.25	57 Å²	57	62%	0.624	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-1.2	-175	-52.5	0	0	0	0	115.6	Y2496 Y2525 D2531 Q2532	Y2496-S2527 WeakPolarHBondContact OH-CB 3.46Å; Y2496-S2527 PolarHBondContact OH-O 3.25Å; Y2525-S2527 VanDerWaalsContact C-N 3.28Å; Y2525-S2527 PolarHBondContact O-N 2.94Å; S2527-D2531 WeakPolarHBondContact CA-OD2 3.45Å; S2527-D2531 PolarHBondContact N-OD2 2.79Å; S2527-Q2532 PolarHBondContact O-NE2 2.92Å
2528	G	68.4	Low	64.4	Low	2.75 Å²	2.75	61.1 Å²	61.1	3%	0.028	32%	0.321	C	S	.	.	S	Bend	trans	-82.6	169.4	174.4	0	0	0	0	0	113.1	Y2496 Y2525 P2526 A2530 D2531 Q2532	Y2496-G2528 VanDerWaalsContact CE1-CA 3.43Å; Y2525-G2528 PolarHBondContact O-N 3.04Å; P2526-G2528 PolarHBondContact O-N 3.3Å; G2528-A2530 VanDerWaalsContact C-N 3.27Å; G2528-A2530 PolarHBondContact O-N 2.85Å; G2528-A2530 VanDerWaalsContact O-N 3.14Å; G2528-D2531 WeakPolarHBondContact O-CA 3.38Å; G2528-D2531 VanDerWaalsContact O-CB 3.25Å; G2528-D2531 WeakPolarHBondContact O-CB 3.43Å; G2528-D2531 PolarHBondContact O-N 3.01Å; G2528-Q2532 WeakPolarHBondContact O-CG 3.34Å; G2528-Q2532 PolarHBondContact O-N 3.26Å; G2528-Q2532 VanDerWaalsContact O-N 3.07Å
2529	P	68.8	Low	61.8	Low	14 Å²	14	68.6 Å²	68.6	9%	0.091	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.3	-177.2	-29.8	35.8	0	0	0	115.3	L2488 M2489 E2491 I2502 D2531 Q2532 L2533 M2545	L2488-P2529 HydrophobicContact CD2-CB 4.22Å; M2489-P2529 VanDerWaalsContact O-CB 3.26Å; M2489-P2529 WeakPolarHBondContact O-CB 3.32Å; M2489-P2529 VanDerWaalsContact O-CG 3.22Å; M2489-P2529 WeakPolarHBondContact O-CG 3.37Å; E2491-P2529 HydrophobicContact CB-CG 3.94Å; E2491-P2529 HydrophobicContact CG-CG 4.06Å; I2502-P2529 WeakPolarHBondContact O-CB 3.39Å; P2529-D2531 PolarHBondContact O-N 2.92Å; P2529-D2531 VanDerWaalsContact O-N 3.15Å; P2529-Q2532 PolarHBondContact O-N 3.11Å; P2529-Q2532 VanDerWaalsContact O-N 3.09Å; P2529-L2533 PolarHBondContact O-N 3.11Å; P2529-M2545 HydrophobicContact CB-CE 3.81Å; P2529-M2545 HydrophobicContact CB-SD 3.91Å; P2529-M2545 WeakPolarHBondContact O-CE 3.3Å; P2529-M2545 VanDerWaalsContact O-SD 3.35Å
2530	A	68.9	Low	59.2	Low	2.25 Å²	2.25	71.6 Å²	71.6	2%	0.019	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.8	174	0	0	0	0	0	114.1	L2488 I2502 G2503 M2504 I2524 G2528 Q2532 L2533 H2534 I2916	L2488-A2530 HydrophobicContact CD1-CB 4.48Å; L2488-A2530 HydrophobicContact CD2-CB 4.34Å; I2502-A2530 PolarHBondContact O-N 3.08Å; I2502-A2530 VanDerWaalsContact O-N 3.1Å; G2503-A2530 WeakPolarHBondContact O-CB 3.48Å; M2504-A2530 HydrophobicContact CB-CB 3.98Å; M2504-A2530 HydrophobicContact CE-CB 3.46Å; M2504-A2530 VanDerWaalsContact CE-CB 3.46Å; M2504-A2530 HydrophobicContact CG-CB 4.39Å; M2504-A2530 HydrophobicContact SD-CB 4.26Å; I2524-A2530 HydrophobicContact CG2-CB 4.21Å; G2528-A2530 VanDerWaalsContact C-N 3.27Å; G2528-A2530 PolarHBondContact O-N 2.85Å; G2528-A2530 VanDerWaalsContact O-N 3.14Å; A2530-Q2532 VanDerWaalsContact C-N 3.32Å; A2530-Q2532 PolarHBondContact O-N 3.07Å; A2530-Q2532 VanDerWaalsContact O-N 3.11Å; A2530-L2533 HydrophobicContact CB-CD1 4.26Å; A2530-L2533 WeakPolarHBondContact O-CB 3.32Å; A2530-L2533 PolarHBondContact O-N 3.2Å; A2530-H2534 PolarHBondContact O-CE1 3.37Å; A2530-H2534 PolarHBondContact O-ND1 3.02Å; A2530-I2916 HydrophobicContact CB-CG2 4.47Å
2531	D	67.4	Low	56.6	Low	59.75 Å²	59.75	78.7 Å²	78.7	32%	0.32	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-69.7	-26.8	175.9	-162.5	45.9	0	0	0	111.2	I2524 Y2525 P2526 S2527 G2528 P2529 L2533 H2534	I2524-D2531 HydrophobicContact CG2-CB 4.01Å; Y2525-D2531 WeakPolarHBondContact O-CB 3.48Å; P2526-D2531 VanDerWaalsContact CA-OD2 3.27Å; P2526-D2531 WeakPolarHBondContact CA-OD2 3.38Å; S2527-D2531 WeakPolarHBondContact CA-OD2 3.45Å; S2527-D2531 PolarHBondContact N-OD2 2.79Å; G2528-D2531 WeakPolarHBondContact O-CA 3.38Å; G2528-D2531 VanDerWaalsContact O-CB 3.25Å; G2528-D2531 WeakPolarHBondContact O-CB 3.43Å; G2528-D2531 PolarHBondContact O-N 3.01Å; P2529-D2531 PolarHBondContact O-N 2.92Å; P2529-D2531 VanDerWaalsContact O-N 3.15Å; D2531-L2533 VanDerWaalsContact C-N 3.26Å; D2531-L2533 PolarHBondContact O-N 2.86Å; D2531-H2534 VanDerWaalsContact O-CB 3.32Å; D2531-H2534 WeakPolarHBondContact O-CB 3.41Å; D2531-H2534 PolarHBondContact O-CD2 3.34Å; D2531-H2534 PolarHBondContact O-CE1 3.34Å; D2531-H2534 VanDerWaalsContact O-CE1 3.3Å; D2531-H2534 PolarHBondContact O-N 2.93Å; D2531-H2534 PolarHBondContact O-ND1 3.04Å; D2531-H2534 IonicContact OD1-CE1 3.82Å; D2531-H2534 PolarHBondContact OD1-CE1 2.99Å
2532	Q	63.7	Low	53.9	Low	107.25 Å²	107.25	82.1 Å²	82.1	50%	0.501	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-79.1	-3.1	173.7	-62.7	-177.7	43	0	0	114.2	E2491 S2527 G2528 P2529 A2530 H2534 K2543 M2545	E2491-Q2532 PolarHBondContact OE1-NE2 2.79Å; S2527-Q2532 PolarHBondContact O-NE2 2.92Å; G2528-Q2532 WeakPolarHBondContact O-CG 3.34Å; G2528-Q2532 PolarHBondContact O-N 3.26Å; G2528-Q2532 VanDerWaalsContact O-N 3.07Å; P2529-Q2532 PolarHBondContact O-N 3.11Å; P2529-Q2532 VanDerWaalsContact O-N 3.09Å; A2530-Q2532 VanDerWaalsContact C-N 3.32Å; A2530-Q2532 PolarHBondContact O-N 3.07Å; A2530-Q2532 VanDerWaalsContact O-N 3.11Å; Q2532-H2534 PolarHBondContact O-N 2.99Å; Q2532-K2543 PolarHBondContact O-NZ 3.44Å; Q2532-M2545 HydrophobicContact CB-CE 3.79Å; Q2532-M2545 HydrophobicContact CB-SD 4.27Å; Q2532-M2545 HydrophobicContact CG-CE 3.81Å
2533	L	61.7	Low	51.5	Low	33.25 Å²	33.25	84 Å²	84	17%	0.174	45%	0.45	C	S	.	.			trans	-75.8	17	173.1	-65.5	-174.8	0	0	0	113.8	L2486 L2488 P2529 A2530 D2531 G2535 I2537 K2543 S2915 I2916	L2486-L2533 HydrophobicContact CD1-CD1 4.16Å; L2486-L2533 HydrophobicContact CD2-CD1 3.97Å; L2486-L2533 HydrophobicContact CG-CD1 4.43Å; L2488-L2533 HydrophobicContact CD1-CD1 4.43Å; L2488-L2533 HydrophobicContact CD2-CD1 3.87Å; L2488-L2533 HydrophobicContact CD2-CD2 4.07Å; L2488-L2533 HydrophobicContact CD2-CG 3.82Å; L2488-L2533 HydrophobicContact CG-CD1 4.19Å; P2529-L2533 PolarHBondContact O-N 3.11Å; A2530-L2533 HydrophobicContact CB-CD1 4.26Å; A2530-L2533 WeakPolarHBondContact O-CB 3.32Å; A2530-L2533 PolarHBondContact O-N 3.2Å; D2531-L2533 VanDerWaalsContact C-N 3.26Å; D2531-L2533 PolarHBondContact O-N 2.86Å; L2533-G2535 VanDerWaalsContact C-N 3.26Å; L2533-G2535 PolarHBondContact O-N 3.26Å; L2533-I2537 HydrophobicContact CD1-CD1 3.92Å; L2533-I2537 HydrophobicContact CD2-CD1 3.89Å; L2533-I2537 HydrophobicContact CD2-CG1 4.05Å; L2533-I2537 HydrophobicContact CG-CD1 4.42Å; L2533-K2543 HydrophobicContact CD2-CD 4.44Å; L2533-S2915 PolarHBondContact O-OG 3.42Å; L2533-S2915 VanDerWaalsContact O-OG 3.05Å; L2533-I2916 HydrophobicContact CD1-CG2 4.25Å
2534	H	47.9	Very low	49.2	Very low	122.25 Å²	122.25	86 Å²	86	57%	0.566	47%	0.466	S	S	*	.	S	Bend	trans	-83.3	65.1	173.8	-67.5	72.2	0	0	0	112.2	A2530 D2531 Q2532 S2915 I2916	A2530-H2534 PolarHBondContact O-CE1 3.37Å; A2530-H2534 PolarHBondContact O-ND1 3.02Å; D2531-H2534 VanDerWaalsContact O-CB 3.32Å; D2531-H2534 WeakPolarHBondContact O-CB 3.41Å; D2531-H2534 PolarHBondContact O-CD2 3.34Å; D2531-H2534 PolarHBondContact O-CE1 3.34Å; D2531-H2534 VanDerWaalsContact O-CE1 3.3Å; D2531-H2534 PolarHBondContact O-N 2.93Å; D2531-H2534 PolarHBondContact O-ND1 3.04Å; D2531-H2534 IonicContact OD1-CE1 3.82Å; D2531-H2534 PolarHBondContact OD1-CE1 2.99Å; Q2532-H2534 PolarHBondContact O-N 2.99Å; H2534-S2915 WeakPolarHBondContact CD2-CA 3.29Å; H2534-S2915 WeakPolarHBondContact CD2-CB 3.2Å; H2534-S2915 PolarHBondContact CD2-OG 2.89Å; H2534-S2915 WeakPolarHBondContact ND1-CB 3.28Å; H2534-S2915 PolarHBondContact ND1-OG 3.3Å; H2534-S2915 VanDerWaalsContact NE2-CA 3.29Å; H2534-S2915 WeakPolarHBondContact NE2-CA 3.46Å; H2534-S2915 VanDerWaalsContact NE2-CB 3.33Å; H2534-S2915 WeakPolarHBondContact NE2-CB 3.49Å; H2534-I2916 PolarHBondContact CE1-N 3.45Å; H2534-I2916 PolarHBondContact CE1-O 2.81Å; H2534-I2916 PolarHBondContact NE2-N 3.13Å; H2534-I2916 VanDerWaalsContact NE2-N 3.11Å; H2534-I2916 PolarHBondContact NE2-O 2.92Å
2535	G	36.2	Very low	46.8	Very low	46.25 Å²	46.25	90.2 Å²	90.2	48%	0.477	49%	0.487	S	S	.	.	S	Bend	trans	-161.7	154.1	169.2	0	0	0	0	0	113	L2533 I2537	L2533-G2535 VanDerWaalsContact C-N 3.26Å; L2533-G2535 PolarHBondContact O-N 3.26Å; G2535-I2537 PolarHBondContact O-N 2.94Å; G2535-I2537 VanDerWaalsContact O-N 3.14Å
2536	E	30.1	Very low	44.6	Very low	167.5 Å²	167.5	93 Å²	93	78%	0.783	51%	0.51	S	S	*	.			trans	-5.4	88.6	174.2	-61.8	-165.7	140.5	0	0	116.2	K2538	E2536-K2538 PolarHBondContact O-N 3.17Å; E2536-K2538 WeakPolarHBondContact OE2-CE 3.45Å; E2536-K2538 IonicContact OE2-NZ 3.67Å; E2536-K2538 PolarHBondContact OE2-NZ 2.79Å
2537	I	33.7	Very low	42.7	Very low	87.25 Å²	87.25	94.5 Å²	94.5	45%	0.447	51%	0.513	S	S	.	.			trans	-104.1	116.5	151.6	-56.1	-178.6	0	0	0	108.2	L2486 L2487 L2533 G2535 E2539	L2486-I2537 HydrophobicContact CB-CD1 4.37Å; L2486-I2537 HydrophobicContact CD2-CD1 4.06Å; L2487-I2537 HydrophobicContact CB-CD1 4.23Å; L2487-I2537 VanDerWaalsContact O-CD1 3.27Å; L2487-I2537 WeakPolarHBondContact O-CD1 3.39Å; L2533-I2537 HydrophobicContact CD1-CD1 3.92Å; L2533-I2537 HydrophobicContact CD2-CD1 3.89Å; L2533-I2537 HydrophobicContact CD2-CG1 4.05Å; L2533-I2537 HydrophobicContact CG-CD1 4.42Å; G2535-I2537 PolarHBondContact O-N 2.94Å; G2535-I2537 VanDerWaalsContact O-N 3.14Å; I2537-E2539 PolarHBondContact O-N 3.3Å
2538	K	29.6	Very low	40.9	Very low	154.5 Å²	154.5	95.6 Å²	95.6	67%	0.672	52%	0.521	S	S	*	.			trans	-81.5	141.1	174.9	-67.9	172	-177.9	165.7	0	110.1	E2536 G2540 Y2541	E2536-K2538 PolarHBondContact O-N 3.17Å; E2536-K2538 WeakPolarHBondContact OE2-CE 3.45Å; E2536-K2538 IonicContact OE2-NZ 3.67Å; E2536-K2538 PolarHBondContact OE2-NZ 2.79Å; K2538-G2540 PolarHBondContact O-N 3.24Å; K2538-Y2541 HydrophobicContact CB-CD2 4.16Å; K2538-Y2541 HydrophobicContact CB-CE2 4.29Å; K2538-Y2541 WeakPolarHBondContact O-CD2 3.38Å; K2538-Y2541 PolarHBondContact O-N 2.88Å
2539	E	28.2	Very low	39	Very low	158.75 Å²	158.75	99.3 Å²	99.3	74%	0.742	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	119.1	169.9	-65.7	-168.3	128.8	0	0	110.5	P2482 K2484 I2537 Y2541	P2482-E2539 WeakPolarHBondContact CG-OE1 3.48Å; K2484-E2539 WeakPolarHBondContact CG-OE1 3.44Å; K2484-E2539 IonicContact NZ-OE1 2.65Å; K2484-E2539 PolarHBondContact NZ-OE1 3.07Å; K2484-E2539 IonicContact NZ-OE2 3.11Å; I2537-E2539 PolarHBondContact O-N 3.3Å; E2539-Y2541 PolarHBondContact O-N 3.02Å
2540	G	28.9	Very low	37.2	Very low	69 Å²	69	106.4 Å²	106.4	71%	0.711	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.6	27.3	-174.9	0	0	0	0	0	114.8	K2538 A2542	K2538-G2540 PolarHBondContact O-N 3.24Å; G2540-A2542 PolarHBondContact O-N 3.35Å
2541	Y	28.2	Very low	35.3	Very low	190.5 Å²	190.5	113.4 Å²	113.4	75%	0.747	62%	0.62	S	S	*	*			trans	-23.3	77.4	167.5	-75.8	-84	0	0	0	115.3	K2538 E2539 K2543	K2538-Y2541 HydrophobicContact CB-CD2 4.16Å; K2538-Y2541 HydrophobicContact CB-CE2 4.29Å; K2538-Y2541 WeakPolarHBondContact O-CD2 3.38Å; K2538-Y2541 PolarHBondContact O-N 2.88Å; E2539-Y2541 PolarHBondContact O-N 3.02Å; Y2541-K2543 VanDerWaalsContact C-N 3.32Å; Y2541-K2543 PolarHBondContact O-N 3.15Å; Y2541-K2543 VanDerWaalsContact O-N 3.11Å
2542	A	27.1	Very low	33.5	Very low	79.75 Å²	79.75	116.8 Å²	116.8	66%	0.659	64%	0.638	S	S	*	*			trans	-68.6	98.2	161.1	0	0	0	0	0	109.9	G2540 V2544 P2567	G2540-A2542 PolarHBondContact O-N 3.35Å; A2542-V2544 VanDerWaalsContact C-N 3.29Å; A2542-V2544 PolarHBondContact O-N 2.89Å; A2542-P2567 HydrophobicContact CB-CB 4.25Å
2543	K	27.9	Very low	31.8	Very low	150.5 Å²	150.5	121.6 Å²	121.6	65%	0.654	65%	0.651	S	S	*	*			trans	-84	96.2	168.5	-170.5	178.6	-177.4	158	0	109.2	K2476 Q2532 L2533 Y2541 M2545	K2476-K2543 PolarHBondContact NZ-O 3.45Å; Q2532-K2543 PolarHBondContact O-NZ 3.44Å; L2533-K2543 HydrophobicContact CD2-CD 4.44Å; Y2541-K2543 VanDerWaalsContact C-N 3.32Å; Y2541-K2543 PolarHBondContact O-N 3.15Å; Y2541-K2543 VanDerWaalsContact O-N 3.11Å; K2543-M2545 VanDerWaalsContact C-N 3.26Å; K2543-M2545 HydrophobicContact CD-CB 4.15Å; K2543-M2545 HydrophobicContact CD-CG 4.49Å; K2543-M2545 HydrophobicContact CD-SD 3.88Å; K2543-M2545 WeakPolarHBondContact CE-SD 3.24Å; K2543-M2545 HydrophobicContact CG-CB 4.11Å; K2543-M2545 PolarHBondContact NZ-SD 3.17Å; K2543-M2545 PolarHBondContact O-N 3.26Å
2544	V	28.7	Very low	30.4	Very low	109.75 Å²	109.75	128.5 Å²	128.5	67%	0.665	68%	0.682	S	S	*	*			trans	-71.8	101.9	171.8	-175.1	0	0	0	0	109	A2542 C2546 P2567	A2542-V2544 VanDerWaalsContact C-N 3.29Å; A2542-V2544 PolarHBondContact O-N 2.89Å; V2544-C2546 HydrophobicContact CG1-CB 4.31Å; V2544-C2546 PolarHBondContact O-N 3.35Å; V2544-P2567 HydrophobicContact CG2-CB 4.27Å; V2544-P2567 HydrophobicContact CG2-CG 4.03Å
2545	M	28	Very low	29.4	Very low	125.5 Å²	125.5	127.8 Å²	127.8	62%	0.618	69%	0.691	S	S	*	*			trans	-99.7	96.7	161.9	-104.1	174.1	145.4	0	0	107.8	K2476 P2529 Q2532 K2543 D2547	K2476-M2545 WeakPolarHBondContact CD-O 3.33Å; K2476-M2545 PolarHBondContact NZ-O 3.44Å; P2529-M2545 HydrophobicContact CB-CE 3.81Å; P2529-M2545 HydrophobicContact CB-SD 3.91Å; P2529-M2545 WeakPolarHBondContact O-CE 3.3Å; P2529-M2545 VanDerWaalsContact O-SD 3.35Å; Q2532-M2545 HydrophobicContact CB-CE 3.79Å; Q2532-M2545 HydrophobicContact CB-SD 4.27Å; Q2532-M2545 HydrophobicContact CG-CE 3.81Å; K2543-M2545 VanDerWaalsContact C-N 3.26Å; K2543-M2545 HydrophobicContact CD-CB 4.15Å; K2543-M2545 HydrophobicContact CD-CG 4.49Å; K2543-M2545 HydrophobicContact CD-SD 3.88Å; K2543-M2545 WeakPolarHBondContact CE-SD 3.24Å; K2543-M2545 HydrophobicContact CG-CB 4.11Å; K2543-M2545 PolarHBondContact NZ-SD 3.17Å; K2543-M2545 PolarHBondContact O-N 3.26Å; M2545-D2547 PolarHBondContact O-N 3.13Å
2546	C	27.8	Very low	28.9	Very low	91.75 Å²	91.75	130.5 Å²	130.5	62%	0.62	70%	0.703	S	S	*	*			trans	-98.7	110.5	167.2	-66.8	0	0	0	0	108.2	K2476 T2478 V2544 S2548	K2476-C2546 PolarHBondContact NZ-SG 3.3Å; K2476-C2546 VanDerWaalsContact NZ-SG 3.39Å; T2478-C2546 HydrophobicContact CG2-CB 4.01Å; V2544-C2546 HydrophobicContact CG1-CB 4.31Å; V2544-C2546 PolarHBondContact O-N 3.35Å; C2546-S2548 PolarHBondContact O-N 3.25Å; C2546-S2548 PolarHBondContact O-OG 2.7Å
2547	D	29.4	Very low	28.8	Very low	122.25 Å²	122.25	131.1 Å²	131.1	65%	0.654	70%	0.703	S	S	*	*			trans	-71	121.2	175.5	-135.3	-44.5	0	0	0	110.5	F2492 M2545 S2549	F2492-D2547 WeakPolarHBondContact CE1-OD2 3.47Å; M2545-D2547 PolarHBondContact O-N 3.13Å; D2547-S2549 PolarHBondContact O-N 2.97Å; D2547-S2549 VanDerWaalsContact OD1-CB 3.24Å; D2547-S2549 WeakPolarHBondContact OD1-CB 3.4Å; D2547-S2549 PolarHBondContact OD1-N 3.05Å; D2547-S2549 PolarHBondContact OD1-OG 2.99Å
2548	S	27.9	Very low	28.7	Very low	112.75 Å²	112.75	132.7 Å²	132.7	79%	0.788	71%	0.712	S	S	*	*			trans	-88.8	45.7	179.3	-6.4	0	0	0	0	111.8	C2546 L2550	C2546-S2548 PolarHBondContact O-N 3.25Å; C2546-S2548 PolarHBondContact O-OG 2.7Å; S2548-L2550 PolarHBondContact O-N 2.93Å
2549	S	29.4	Very low	28.5	Very low	81.25 Å²	81.25	132.1 Å²	132.1	57%	0.568	72%	0.716	S	S	*	*			trans	-121.9	63.6	-176.4	130.1	0	0	0	0	113.8	R2493 D2547	R2493-S2549 VanDerWaalsContact CZ-OG 3.27Å; R2493-S2549 PolarHBondContact NE-OG 2.79Å; R2493-S2549 VanDerWaalsContact NE-OG 3.12Å; R2493-S2549 PolarHBondContact NH2-OG 3.44Å; D2547-S2549 PolarHBondContact O-N 2.97Å; D2547-S2549 VanDerWaalsContact OD1-CB 3.24Å; D2547-S2549 WeakPolarHBondContact OD1-CB 3.4Å; D2547-S2549 PolarHBondContact OD1-N 3.05Å; D2547-S2549 PolarHBondContact OD1-OG 2.99Å
2550	L	30.6	Very low	28.6	Very low	161.75 Å²	161.75	129.5 Å²	129.5	85%	0.847	72%	0.716	S	S	*	*			trans	-157.1	78.1	138.5	-101.9	165.9	0	0	0	113.4	S2548	S2548-L2550 PolarHBondContact O-N 2.93Å
2551	N	28.4	Very low	28.5	Very low	149.5 Å²	149.5	133.7 Å²	133.7	80%	0.799	72%	0.722	S	S	*	*			trans	-120.9	122	173.2	-87.1	-19	0	0	0	114.2	R2553	N2551-R2553 PolarHBondContact O-N 2.89Å; N2551-R2553 VanDerWaalsContact O-N 3.14Å
2552	D	30.4	Very low	28.7	Very low	130.75 Å²	130.75	130.8 Å²	130.8	70%	0.699	72%	0.724	S	S	*	*			trans	58.9	91.1	167.2	-97.7	-5.8	0	0	0	115.9
2553	R	28.7	Very low	28.9	Very low	208.5 Å²	208.5	133.7 Å²	133.7	79%	0.787	73%	0.728	S	S	*	*			trans	133.9	137.4	131.7	-80	171.1	-148.7	-161.8	2	114.4	N2551	N2551-R2553 PolarHBondContact O-N 2.89Å; N2551-R2553 VanDerWaalsContact O-N 3.14Å
2554	H	30.8	Very low	28.8	Very low	177.75 Å²	177.75	131.7 Å²	131.7	82%	0.823	73%	0.731	S	S	*	*			trans	85.8	107.3	148.7	-84.2	-99.5	0	0	0	117.4	S2556	H2554-S2556 PolarHBondContact O-N 2.96Å
2555	S	26.7	Very low	28.9	Very low	108.5 Å²	108.5	136.9 Å²	136.9	76%	0.759	74%	0.739	S	S	*	*			trans	-66	132.5	152	73.3	0	0	0	0	113.2
2556	S	27.1	Very low	29	Very low	102.25 Å²	102.25	136.4 Å²	136.4	72%	0.715	74%	0.739	S	S	*	*				-176.8	151.6	67.4	44.9	0	0	0	0	111.1	H2554	H2554-S2556 PolarHBondContact O-N 2.96Å
2557	F	28.3	Very low	29.3	Very low	181 Å²	181	136.7 Å²	136.7	79%	0.794	74%	0.74	S	S	*	*			trans	113.3	115.6	157.3	-136.2	-115.2	0	0	0	115.5
2558	L	31.2	Very low	29.4	Very low	120.5 Å²	120.5	137.5 Å²	137.5	63%	0.631	74%	0.743	S	S	*	*			trans	61.7	129.5	137.2	-52	178.8	0	0	0	117.7	N2405	N2405-L2558 VanDerWaalsContact ND2-CD1 3.3Å; N2405-L2558 WeakPolarHBondContact ND2-CD1 3.39Å; N2405-L2558 WeakPolarHBondContact ND2-CD2 3.38Å; N2405-L2558 WeakPolarHBondContact OD1-CD1 3.26Å
2559	D	26	Very low	29.7	Very low	142.75 Å²	142.75	138.3 Å²	138.3	76%	0.763	74%	0.736	S	S	*	*			cis	-136.4	145.6	46.2	-100.6	-43.1	0	0	0	113.8
2560	S	28.6	Very low	29.8	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	74%	0.744	S	S	*	*			trans	138.9	139.3	143.2	21.1	0	0	0	0	116.4	T2562	S2560-T2562 PolarHBondContact O-N 2.65Å
2561	D	28.4	Very low	29.8	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	73%	0.729	S	S	*	*			trans	-78.6	120.7	156	-65.1	-49.5	0	0	0	115.2
2562	T	30.7	Very low	30	Very low	128.25 Å²	128.25	139.2 Å²	139.2	79%	0.787	73%	0.727	S	S	*	*			trans	-140.9	150.2	150.5	-30.1	0	0	0	0	111.6	S2560 C2564	S2560-T2562 PolarHBondContact O-N 2.65Å; T2562-C2564 VanDerWaalsContact C-N 3.34Å; T2562-C2564 PolarHBondContact O-N 3.09Å
2563	L	31.3	Very low	30.2	Very low	141.25 Å²	141.25	138.9 Å²	138.9	74%	0.74	72%	0.724	S	S	*	*			trans	-92.3	79.2	173.5	-84.8	-176.4	0	0	0	113.7	W2565	L2563-W2565 VanDerWaalsContact O-CD1 3.26Å; L2563-W2565 PolarHBondContact O-N 2.87Å; L2563-W2565 VanDerWaalsContact O-N 3.08Å
2564	C	27.5	Very low	30.5	Very low	108.5 Å²	108.5	134.8 Å²	134.8	73%	0.733	72%	0.716	S	S	*	*			trans	-85.1	119.2	162.7	-119	0	0	0	0	110.2	T2562 N2566	T2562-C2564 VanDerWaalsContact C-N 3.34Å; T2562-C2564 PolarHBondContact O-N 3.09Å; C2564-N2566 PolarHBondContact O-N 2.89Å; C2564-N2566 VanDerWaalsContact O-N 3.15Å
2565	W	30.5	Very low	30.6	Very low	219.75 Å²	219.75	132.8 Å²	132.8	83%	0.832	71%	0.711	S	S	*	*			trans	-86.3	116.6	175.8	-79.2	89.4	0	0	0	111.2	L2563 P2567	L2563-W2565 VanDerWaalsContact O-CD1 3.26Å; L2563-W2565 PolarHBondContact O-N 2.87Å; L2563-W2565 VanDerWaalsContact O-N 3.08Å; W2565-P2567 WeakPolarHBondContact O-CD 3.24Å
2566	N	28.9	Very low	31	Very low	114 Å²	114	132 Å²	132	61%	0.61	71%	0.705	S	S	*	*			trans	-66.4	132.9	-168.6	-116.5	-39.5	0	0	0	113.3	C2564 L2568 M2569	C2564-N2566 PolarHBondContact O-N 2.89Å; C2564-N2566 VanDerWaalsContact O-N 3.15Å; N2566-L2568 VanDerWaalsContact C-N 3.28Å; N2566-L2568 PolarHBondContact O-N 3.45Å; N2566-L2568 WeakPolarHBondContact OD1-CB 3.32Å; N2566-L2568 WeakPolarHBondContact OD1-CD1 3.27Å; N2566-L2568 WeakPolarHBondContact OD1-CG 3.4Å; N2566-L2568 PolarHBondContact OD1-N 2.91Å; N2566-M2569 WeakPolarHBondContact O-CB 3.37Å; N2566-M2569 PolarHBondContact O-N 2.96Å
2567	P	33.6	Very low	31.3	Very low	99 Å²	99	130.4 Å²	130.4	64%	0.643	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	5.5	174.8	3.3	0.7	0	0	0	113.6	A2542 V2544 W2565 M2569 Y2570 G2571	A2542-P2567 HydrophobicContact CB-CB 4.25Å; V2544-P2567 HydrophobicContact CG2-CB 4.27Å; V2544-P2567 HydrophobicContact CG2-CG 4.03Å; W2565-P2567 WeakPolarHBondContact O-CD 3.24Å; P2567-M2569 VanDerWaalsContact C-N 3.29Å; P2567-M2569 PolarHBondContact O-N 3Å; P2567-Y2570 PolarHBondContact O-N 2.91Å; P2567-G2571 PolarHBondContact O-N 3.16Å
2568	L	33.1	Very low	31.6	Very low	138 Å²	138	128.3 Å²	128.3	72%	0.723	70%	0.695	S	S	*	*	H	α-helix	trans	-87.1	16.2	176.5	-69.2	177	0	0	0	113.8	N2566 G2571 F2572	N2566-L2568 VanDerWaalsContact C-N 3.28Å; N2566-L2568 PolarHBondContact O-N 3.45Å; N2566-L2568 WeakPolarHBondContact OD1-CB 3.32Å; N2566-L2568 WeakPolarHBondContact OD1-CD1 3.27Å; N2566-L2568 WeakPolarHBondContact OD1-CG 3.4Å; N2566-L2568 PolarHBondContact OD1-N 2.91Å; L2568-G2571 PolarHBondContact O-N 3.01Å; L2568-F2572 HydrophobicContact CB-CD2 4.11Å; L2568-F2572 HydrophobicContact CB-CE2 4.44Å; L2568-F2572 WeakPolarHBondContact O-CA 3.31Å; L2568-F2572 WeakPolarHBondContact O-CB 3.33Å; L2568-F2572 VanDerWaalsContact O-CD2 3.29Å; L2568-F2572 WeakPolarHBondContact O-CD2 3.28Å; L2568-F2572 PolarHBondContact O-N 3.37Å
2569	M	32.9	Very low	31.7	Very low	131 Å²	131	126 Å²	126	65%	0.645	69%	0.693	S	S	*	*	H	α-helix	trans	-104	-36.5	170.9	-104.2	-66.9	-155.8	0	0	113	N2566 P2567 G2571 F2572 I2573	N2566-M2569 WeakPolarHBondContact O-CB 3.37Å; N2566-M2569 PolarHBondContact O-N 2.96Å; P2567-M2569 VanDerWaalsContact C-N 3.29Å; P2567-M2569 PolarHBondContact O-N 3Å; M2569-G2571 VanDerWaalsContact C-N 3.31Å; M2569-G2571 PolarHBondContact O-N 3.32Å; M2569-F2572 PolarHBondContact O-N 3.1Å; M2569-I2573 WeakPolarHBondContact O-CB 3.34Å; M2569-I2573 WeakPolarHBondContact O-CD1 3.17Å; M2569-I2573 VanDerWaalsContact O-CG1 3.23Å; M2569-I2573 WeakPolarHBondContact O-CG1 3.14Å; M2569-I2573 PolarHBondContact O-N 3.5Å
2570	Y	32.1	Very low	32	Very low	187.5 Å²	187.5	127.1 Å²	127.1	74%	0.735	69%	0.691	S	S	*	*	H	α-helix	trans	-76.4	2.4	176.3	-74.5	-77.2	0	0	0	115	P2567 F2572 I2574	P2567-Y2570 PolarHBondContact O-N 2.91Å; Y2570-F2572 VanDerWaalsContact C-N 3.3Å; Y2570-F2572 PolarHBondContact O-N 3.06Å; Y2570-F2572 VanDerWaalsContact O-N 3.13Å; Y2570-I2574 WeakPolarHBondContact O-CG1 3.04Å
2571	G	30.8	Very low	32.2	Very low	51.5 Å²	51.5	129.4 Å²	129.4	53%	0.531	69%	0.689	S	S	.	*	H	α-helix	trans	-76.2	7.7	165	0	0	0	0	0	113.3	P2567 L2568 M2569 I2573 I2574 I2575	P2567-G2571 PolarHBondContact O-N 3.16Å; L2568-G2571 PolarHBondContact O-N 3.01Å; M2569-G2571 VanDerWaalsContact C-N 3.31Å; M2569-G2571 PolarHBondContact O-N 3.32Å; G2571-I2573 PolarHBondContact O-N 3.41Å; G2571-I2574 PolarHBondContact O-N 3.23Å; G2571-I2575 WeakPolarHBondContact O-CD1 3.3Å; G2571-I2575 VanDerWaalsContact O-CG1 3.29Å; G2571-I2575 WeakPolarHBondContact O-CG1 3.34Å; G2571-I2575 PolarHBondContact O-N 3Å
2572	F	31.6	Very low	32.5	Very low	171.25 Å²	171.25	126.1 Å²	126.1	75%	0.751	68%	0.678	S	S	*	*	H	α-helix	trans	-112.1	29.8	172.3	-101.1	-87	0	0	0	112.5	L2568 M2569 Y2570 I2574 I2575 S2576	L2568-F2572 HydrophobicContact CB-CD2 4.11Å; L2568-F2572 HydrophobicContact CB-CE2 4.44Å; L2568-F2572 WeakPolarHBondContact O-CA 3.31Å; L2568-F2572 WeakPolarHBondContact O-CB 3.33Å; L2568-F2572 VanDerWaalsContact O-CD2 3.29Å; L2568-F2572 WeakPolarHBondContact O-CD2 3.28Å; L2568-F2572 PolarHBondContact O-N 3.37Å; M2569-F2572 PolarHBondContact O-N 3.1Å; Y2570-F2572 VanDerWaalsContact C-N 3.3Å; Y2570-F2572 PolarHBondContact O-N 3.06Å; Y2570-F2572 VanDerWaalsContact O-N 3.13Å; F2572-I2574 VanDerWaalsContact C-N 3.27Å; F2572-I2574 PolarHBondContact O-N 3.27Å; F2572-I2575 PolarHBondContact O-N 3.11Å; F2572-S2576 WeakPolarHBondContact O-CA 3.29Å; F2572-S2576 WeakPolarHBondContact O-CB 3.35Å; F2572-S2576 PolarHBondContact O-N 3.21Å; F2572-S2576 PolarHBondContact O-OG 2.65Å
2573	I	35.2	Very low	32.7	Very low	124.25 Å²	124.25	126.5 Å²	126.5	64%	0.637	67%	0.671	S	S	*	*	H	α-helix	trans	-64	10.7	169.9	-63.2	167.9	0	0	0	111.5	M2569 G2571 I2575 S2576 A2577	M2569-I2573 WeakPolarHBondContact O-CB 3.34Å; M2569-I2573 WeakPolarHBondContact O-CD1 3.17Å; M2569-I2573 VanDerWaalsContact O-CG1 3.23Å; M2569-I2573 WeakPolarHBondContact O-CG1 3.14Å; M2569-I2573 PolarHBondContact O-N 3.5Å; G2571-I2573 PolarHBondContact O-N 3.41Å; I2573-I2575 PolarHBondContact O-N 3.41Å; I2573-S2576 PolarHBondContact O-N 3.5Å; I2573-S2576 PolarHBondContact O-OG 2.89Å; I2573-A2577 WeakPolarHBondContact O-CB 3.23Å; I2573-A2577 PolarHBondContact O-N 2.85Å; I2573-A2577 VanDerWaalsContact O-N 3.15Å
2574	I	34.3	Very low	32.7	Very low	121.75 Å²	121.75	125.1 Å²	125.1	62%	0.624	66%	0.664	S	S	*	*	H	α-helix	trans	-103.4	-1.5	167.6	-55.3	174.8	0	0	0	109.7	Y2570 G2571 F2572 S2576 A2577 N2578 D2903	Y2570-I2574 WeakPolarHBondContact O-CG1 3.04Å; G2571-I2574 PolarHBondContact O-N 3.23Å; F2572-I2574 VanDerWaalsContact C-N 3.27Å; F2572-I2574 PolarHBondContact O-N 3.27Å; I2574-S2576 VanDerWaalsContact C-N 3.32Å; I2574-S2576 PolarHBondContact O-N 2.87Å; I2574-A2577 PolarHBondContact O-N 3.09Å; I2574-N2578 PolarHBondContact O-N 3.39Å; I2574-N2578 VanDerWaalsContact O-N 3.14Å; I2574-N2578 PolarHBondContact O-OD1 3.04Å; I2574-D2903 WeakPolarHBondContact CD1-OD1 3.2Å; I2574-D2903 WeakPolarHBondContact CD1-OD2 3.29Å
2575	I	34.4	Very low	33	Very low	136.75 Å²	136.75	127.1 Å²	127.1	70%	0.701	66%	0.662	S	S	*	*	H	α-helix	trans	-77	45.2	173.2	-60.9	172.5	0	0	0	110.4	G2571 F2572 I2573 A2579	G2571-I2575 WeakPolarHBondContact O-CD1 3.3Å; G2571-I2575 VanDerWaalsContact O-CG1 3.29Å; G2571-I2575 WeakPolarHBondContact O-CG1 3.34Å; G2571-I2575 PolarHBondContact O-N 3Å; F2572-I2575 PolarHBondContact O-N 3.11Å; I2573-I2575 PolarHBondContact O-N 3.41Å; I2575-A2579 VanDerWaalsContact O-CB 3.24Å; I2575-A2579 WeakPolarHBondContact O-CB 3.4Å; I2575-A2579 PolarHBondContact O-N 3.17Å
2576	S	34	Very low	33.1	Very low	92.25 Å²	92.25	119.7 Å²	119.7	65%	0.645	65%	0.647	S	S	*	*	H	α-helix	trans	-81	-6.4	173.7	69	0	0	0	0	114	F2572 I2573 I2574 F2580	F2572-S2576 WeakPolarHBondContact O-CA 3.29Å; F2572-S2576 WeakPolarHBondContact O-CB 3.35Å; F2572-S2576 PolarHBondContact O-N 3.21Å; F2572-S2576 PolarHBondContact O-OG 2.65Å; I2573-S2576 PolarHBondContact O-N 3.5Å; I2573-S2576 PolarHBondContact O-OG 2.89Å; I2574-S2576 VanDerWaalsContact C-N 3.32Å; I2574-S2576 PolarHBondContact O-N 2.87Å; S2576-F2580 WeakPolarHBondContact O-CA 3.43Å; S2576-F2580 WeakPolarHBondContact O-CB 3.36Å; S2576-F2580 PolarHBondContact O-N 3.29Å
2577	A	34.4	Very low	33.2	Very low	67.75 Å²	67.75	123.5 Å²	123.5	56%	0.56	65%	0.653	S	S	*	*	H	α-helix	trans	-98.3	-27.5	166.6	0	0	0	0	0	112.3	I2573 I2574 A2579 F2580 F2581	I2573-A2577 WeakPolarHBondContact O-CB 3.23Å; I2573-A2577 PolarHBondContact O-N 2.85Å; I2573-A2577 VanDerWaalsContact O-N 3.15Å; I2574-A2577 PolarHBondContact O-N 3.09Å; A2577-A2579 PolarHBondContact O-N 3.1Å; A2577-F2580 PolarHBondContact O-N 3.07Å; A2577-F2580 VanDerWaalsContact O-N 3.17Å; A2577-F2581 WeakPolarHBondContact O-CB 3.21Å; A2577-F2581 PolarHBondContact O-N 2.84Å
2578	N	34.1	Very low	33.1	Very low	138.25 Å²	138.25	127.3 Å²	127.3	74%	0.739	66%	0.66	S	S	*	*	H	α-helix	trans	-87	13.9	166.5	-80	-16.3	0	0	0	113.1	I2574 F2580 F2581 S2582	I2574-N2578 PolarHBondContact O-N 3.39Å; I2574-N2578 VanDerWaalsContact O-N 3.14Å; I2574-N2578 PolarHBondContact O-OD1 3.04Å; N2578-F2580 VanDerWaalsContact C-N 3.34Å; N2578-F2580 PolarHBondContact O-N 3.04Å; N2578-F2581 PolarHBondContact O-N 3.07Å; N2578-S2582 PolarHBondContact O-N 2.91Å; N2578-S2582 PolarHBondContact O-OG 3.15Å
2579	A	33.9	Very low	33.1	Very low	71.5 Å²	71.5	127.3 Å²	127.3	59%	0.591	66%	0.66	S	S	*	*	H	α-helix	trans	-80.8	-10.2	168.7	0	0	0	0	0	116	I2575 A2577 S2582 Q2583	I2575-A2579 VanDerWaalsContact O-CB 3.24Å; I2575-A2579 WeakPolarHBondContact O-CB 3.4Å; I2575-A2579 PolarHBondContact O-N 3.17Å; A2577-A2579 PolarHBondContact O-N 3.1Å; A2579-S2582 PolarHBondContact O-N 3.2Å; A2579-Q2583 WeakPolarHBondContact O-CB 3.38Å; A2579-Q2583 PolarHBondContact O-N 3.08Å
2580	F	31.2	Very low	33	Very low	165.75 Å²	165.75	127.6 Å²	127.6	73%	0.727	66%	0.664	S	S	*	*	H	α-helix	trans	-79.4	46.1	174.4	-135.7	-102.3	0	0	0	113.1	S2576 A2577 N2578 Q2583 L2584	S2576-F2580 WeakPolarHBondContact O-CA 3.43Å; S2576-F2580 WeakPolarHBondContact O-CB 3.36Å; S2576-F2580 PolarHBondContact O-N 3.29Å; A2577-F2580 PolarHBondContact O-N 3.07Å; A2577-F2580 VanDerWaalsContact O-N 3.17Å; N2578-F2580 VanDerWaalsContact C-N 3.34Å; N2578-F2580 PolarHBondContact O-N 3.04Å; F2580-Q2583 CarbonylContact O-C 3.49Å; F2580-Q2583 PolarHBondContact O-N 3.4Å; F2580-L2584 HydrophobicContact CD1-CD1 3.74Å; F2580-L2584 HydrophobicContact CD2-CD1 4.42Å; F2580-L2584 HydrophobicContact CE1-CD1 3.45Å; F2580-L2584 VanDerWaalsContact CE1-CD1 3.45Å; F2580-L2584 HydrophobicContact CE2-CD1 4.18Å; F2580-L2584 HydrophobicContact CG-CD1 4.22Å; F2580-L2584 HydrophobicContact CZ-CD1 3.7Å; F2580-L2584 WeakPolarHBondContact O-CB 3.04Å; F2580-L2584 WeakPolarHBondContact O-CD1 3.5Å; F2580-L2584 PolarHBondContact O-N 3.07Å; F2580-L2584 VanDerWaalsContact O-N 3.08Å
2581	F	33.6	Very low	33	Very low	151.5 Å²	151.5	126.2 Å²	126.2	66%	0.664	66%	0.664	S	S	*	*	H	α-helix	trans	-69.6	-42.8	161.3	-106.1	-89.6	0	0	0	114.1	A2577 N2578 Q2583 L2584 E2585	A2577-F2581 WeakPolarHBondContact O-CB 3.21Å; A2577-F2581 PolarHBondContact O-N 2.84Å; N2578-F2581 PolarHBondContact O-N 3.07Å; F2581-Q2583 PolarHBondContact O-N 2.94Å; F2581-L2584 WeakPolarHBondContact O-CB 3.5Å; F2581-L2584 PolarHBondContact O-N 3.28Å; F2581-E2585 VanDerWaalsContact O-CB 3.28Å; F2581-E2585 WeakPolarHBondContact O-CB 3.49Å; F2581-E2585 PolarHBondContact O-N 2.94Å
2582	S	34.3	Very low	33.1	Very low	87.5 Å²	87.5	131 Å²	131	61%	0.612	67%	0.673	S	S	*	*	H	α-helix	trans	-89.9	10.7	166.9	-119.9	0	0	0	0	111.6	N2578 A2579 L2584 A2586	N2578-S2582 PolarHBondContact O-N 2.91Å; N2578-S2582 PolarHBondContact O-OG 3.15Å; A2579-S2582 PolarHBondContact O-N 3.2Å; S2582-L2584 VanDerWaalsContact C-N 3.34Å; S2582-A2586 WeakPolarHBondContact O-CB 3.26Å; S2582-A2586 PolarHBondContact O-N 3.1Å
2583	Q	34	Very low	33.3	Very low	137.25 Å²	137.25	130.1 Å²	130.1	64%	0.641	67%	0.671	S	S	*	*	H	α-helix	trans	-108.9	71.8	179	-140	107.8	106.6	0	0	113.8	A2579 F2580 F2581 R2587	A2579-Q2583 WeakPolarHBondContact O-CB 3.38Å; A2579-Q2583 PolarHBondContact O-N 3.08Å; F2580-Q2583 CarbonylContact O-C 3.49Å; F2580-Q2583 PolarHBondContact O-N 3.4Å; F2581-Q2583 PolarHBondContact O-N 2.94Å; Q2583-R2587 WeakPolarHBondContact O-CD 3.39Å; Q2583-R2587 WeakPolarHBondContact O-CG 3.29Å; Q2583-R2587 PolarHBondContact O-NE 3.19Å; Q2583-R2587 VanDerWaalsContact O-NE 3.1Å
2584	L	32.5	Very low	33.1	Very low	112.75 Å²	112.75	129.1 Å²	129.1	59%	0.59	67%	0.671	S	S	*	*	H	α-helix	trans	-104.1	-19.3	155.1	-112.5	108.4	0	0	0	112.6	F2580 F2581 S2582 A2586 R2587 F2588	F2580-L2584 HydrophobicContact CD1-CD1 3.74Å; F2580-L2584 HydrophobicContact CD2-CD1 4.42Å; F2580-L2584 HydrophobicContact CE1-CD1 3.45Å; F2580-L2584 VanDerWaalsContact CE1-CD1 3.45Å; F2580-L2584 HydrophobicContact CE2-CD1 4.18Å; F2580-L2584 HydrophobicContact CG-CD1 4.22Å; F2580-L2584 HydrophobicContact CZ-CD1 3.7Å; F2580-L2584 WeakPolarHBondContact O-CB 3.04Å; F2580-L2584 WeakPolarHBondContact O-CD1 3.5Å; F2580-L2584 PolarHBondContact O-N 3.07Å; F2580-L2584 VanDerWaalsContact O-N 3.08Å; F2581-L2584 WeakPolarHBondContact O-CB 3.5Å; F2581-L2584 PolarHBondContact O-N 3.28Å; S2582-L2584 VanDerWaalsContact C-N 3.34Å; L2584-A2586 PolarHBondContact O-N 2.88Å; L2584-R2587 CarbonylContact O-C 3.51Å; L2584-R2587 WeakPolarHBondContact O-CA 3.36Å; L2584-R2587 WeakPolarHBondContact O-CB 3.29Å; L2584-R2587 PolarHBondContact O-N 2.83Å; L2584-F2588 HydrophobicContact CB-CD2 4.43Å; L2584-F2588 HydrophobicContact CD2-CE2 4.15Å; L2584-F2588 HydrophobicContact CG-CD2 4.41Å; L2584-F2588 HydrophobicContact CG-CE2 4.24Å; L2584-F2588 WeakPolarHBondContact O-CD2 3.3Å; L2584-F2588 PolarHBondContact O-N 3.07Å
2585	E	33.2	Very low	33	Very low	150.25 Å²	150.25	128 Å²	128	70%	0.702	67%	0.669	S	S	*	*	H	α-helix	trans	-43.4	-127.5	163.5	-142	178.6	-164.4	0	0	113.5	F2581 R2587 F2588 L2589	F2581-E2585 VanDerWaalsContact O-CB 3.28Å; F2581-E2585 WeakPolarHBondContact O-CB 3.49Å; F2581-E2585 PolarHBondContact O-N 2.94Å; E2585-R2587 PolarHBondContact O-N 2.97Å; E2585-F2588 PolarHBondContact O-N 3.09Å; E2585-L2589 WeakPolarHBondContact O-CB 3.48Å; E2585-L2589 PolarHBondContact O-N 2.65Å
2586	A	32.4	Very low	32.9	Very low	63.25 Å²	63.25	127.5 Å²	127.5	52%	0.523	67%	0.673	S	S	.	*	H	α-helix	trans	-74.7	44.4	-177.3	0	0	0	0	0	115.1	S2582 L2584 N2590	S2582-A2586 WeakPolarHBondContact O-CB 3.26Å; S2582-A2586 PolarHBondContact O-N 3.1Å; L2584-A2586 PolarHBondContact O-N 2.88Å; A2586-N2590 PolarHBondContact O-ND2 2.98Å
2587	R	31.9	Very low	32.8	Very low	194.25 Å²	194.25	128.2 Å²	128.2	73%	0.733	67%	0.674	S	S	*	*	H	α-helix	trans	-126.2	51.2	157.7	-73.7	178.6	-168	-135.2	1.4	114.5	Q2583 L2584 E2585 N2590	Q2583-R2587 WeakPolarHBondContact O-CD 3.39Å; Q2583-R2587 WeakPolarHBondContact O-CG 3.29Å; Q2583-R2587 PolarHBondContact O-NE 3.19Å; Q2583-R2587 VanDerWaalsContact O-NE 3.1Å; L2584-R2587 CarbonylContact O-C 3.51Å; L2584-R2587 WeakPolarHBondContact O-CA 3.36Å; L2584-R2587 WeakPolarHBondContact O-CB 3.29Å; L2584-R2587 PolarHBondContact O-N 2.83Å; E2585-R2587 PolarHBondContact O-N 2.97Å; R2587-N2590 PolarHBondContact O-N 3.5Å
2588	F	30.9	Very low	32.6	Very low	178.25 Å²	178.25	130.1 Å²	130.1	78%	0.782	68%	0.678	S	S	*	*	H	α-helix	trans	-84.5	39.6	165.1	-95.4	-92.3	0	0	0	113.5	L2584 E2585 N2590	L2584-F2588 HydrophobicContact CB-CD2 4.43Å; L2584-F2588 HydrophobicContact CD2-CE2 4.15Å; L2584-F2588 HydrophobicContact CG-CD2 4.41Å; L2584-F2588 HydrophobicContact CG-CE2 4.24Å; L2584-F2588 WeakPolarHBondContact O-CD2 3.3Å; L2584-F2588 PolarHBondContact O-N 3.07Å; E2585-F2588 PolarHBondContact O-N 3.09Å; F2588-N2590 PolarHBondContact O-N 3.23Å; F2588-N2590 VanDerWaalsContact O-N 3.16Å
2589	L	33.6	Very low	32.5	Very low	139.5 Å²	139.5	128.6 Å²	128.6	73%	0.73	67%	0.674	S	S	*	*			trans	-78.6	70.8	157.9	-80	142.1	0	0	0	114.2	E2585	E2585-L2589 WeakPolarHBondContact O-CB 3.48Å; E2585-L2589 PolarHBondContact O-N 2.65Å
2590	N	31.7	Very low	32.4	Very low	136.5 Å²	136.5	130.6 Å²	130.6	73%	0.73	68%	0.679	S	S	*	*			trans	144.2	100.6	169.2	-68.5	-43	0	0	0	114.4	A2586 R2587 F2588	A2586-N2590 PolarHBondContact O-ND2 2.98Å; R2587-N2590 PolarHBondContact O-N 3.5Å; F2588-N2590 PolarHBondContact O-N 3.23Å; F2588-N2590 VanDerWaalsContact O-N 3.16Å
2591	H	32.1	Very low	32.5	Very low	158.75 Å²	158.75	128.4 Å²	128.4	74%	0.735	68%	0.68	S	S	*	*				-153.8	108	108.1	-153.1	36.3	0	0	0	111.2	H2593	H2591-H2593 PolarHBondContact O-N 3.23Å
2592	E	32.8	Very low	32.4	Very low	152.25 Å²	152.25	126.6 Å²	126.6	71%	0.711	68%	0.681	S	S	*	*			trans	-6.6	128.2	158.9	-93.9	178	162.6	0	0	115.2	N2323	N2323-E2592 WeakPolarHBondContact CB-OE2 3.27Å; N2323-E2592 VanDerWaalsContact ND2-CB 3.33Å; N2323-E2592 WeakPolarHBondContact ND2-CB 3.47Å
2593	H	35.1	Very low	32.4	Very low	151.75 Å²	151.75	127.8 Å²	127.8	70%	0.703	69%	0.685	S	S	*	*				94	131.3	56.7	-148.8	-85.1	0	0	0	114.7	N2323 H2591 T2595	N2323-H2593 PolarHBondContact ND2-O 3.32Å; H2591-H2593 PolarHBondContact O-N 3.23Å; H2593-T2595 PolarHBondContact ND1-OG1 2.96Å; H2593-T2595 PolarHBondContact O-OG1 3.31Å
2594	T	31.2	Very low	32.4	Very low	104 Å²	104	126.9 Å²	126.9	64%	0.638	69%	0.689	S	S	*	*			trans	131.9	101.6	153.8	-25.5	0	0	0	0	114.7	L2319	L2319-T2594 HydrophobicContact CB-CG2 4.12Å; L2319-T2594 HydrophobicContact CD2-CG2 3.7Å
2595	T	32	Very low	32.4	Very low	97.5 Å²	97.5	126.6 Å²	126.6	60%	0.598	69%	0.692	S	S	*	*				19	127.1	104.2	-30.3	0	0	0	0	114.4	H2593 T2597	H2593-T2595 PolarHBondContact ND1-OG1 2.96Å; H2593-T2595 PolarHBondContact O-OG1 3.31Å; T2595-T2597 WeakPolarHBondContact CG2-OG1 3.36Å
2596	T	31.5	Very low	32.5	Very low	127.5 Å²	127.5	125.3 Å²	125.3	78%	0.782	70%	0.695	S	S	*	*			trans	161.9	131.7	135.6	-46.3	0	0	0	0	112.9
2597	T	32	Very low	32.7	Very low	106.75 Å²	106.75	127.6 Å²	127.6	66%	0.655	70%	0.702	S	S	*	*			trans	-104.7	151.1	171.8	-37.7	0	0	0	0	115.5	T2595	T2595-T2597 WeakPolarHBondContact CG2-OG1 3.36Å
2598	T	30.8	Very low	32.9	Very low	107.5 Å²	107.5	123.8 Å²	123.8	66%	0.66	70%	0.701	S	S	*	*			trans	57.9	125.3	151.4	-19.4	0	0	0	0	115.4
2599	T	32	Very low	33.2	Very low	106 Å²	106	121 Å²	121	65%	0.65	70%	0.698	S	S	*	*				114.5	144.3	106.1	-25.5	0	0	0	0	115.7
2600	T	31.8	Very low	33.4	Very low	113 Å²	113	119.8 Å²	119.8	69%	0.693	70%	0.697	S	S	*	*			trans	150.4	118.9	157.4	-12	0	0	0	0	115.1
2601	T	32.9	Very low	33.7	Very low	120.667 Å²	120.667	119 Å²	119	74%	0.74	70%	0.697	S	S	*	*				69.7	147.2	122.2	20.6	0	0	0	0	118.7
2602	T	32.3	Very low	34	Very low	113.667 Å²	113.667	116.8 Å²	116.8	70%	0.697	70%	0.695	S	S	*	*				122	129.5	106.6	-27.3	0	0	0	0	117.8
2603	T	33.2	Very low	34.2	Very low	111.667 Å²	111.667	115.3 Å²	115.3	69%	0.685	70%	0.697	S	S	*	*			trans	67.2	110.9	141.3	12.2	0	0	0	0	122.3
2604	T	33.9	Very low	34.3	Very low	118.333 Å²	118.333	113.4 Å²	113.4	73%	0.726	70%	0.696	S	S	*	*				54.2	145	122.6	3.6	0	0	0	0	120.3
2605	T	33.9	Very low	34.5	Very low	107.667 Å²	107.667	114.5 Å²	114.5	66%	0.661	70%	0.702	S	S	*	*				161	135	74.1	-16.8	0	0	0	0	114.6
2606	T	35	Very low	34.7	Very low	123.333 Å²	123.333	115.2 Å²	115.2	76%	0.757	71%	0.707	S	S	*	*			trans	55.1	152	149.9	41.9	0	0	0	0	119.1
2607	T	36	Very low	34.9	Very low	110.667 Å²	110.667	114.6 Å²	114.6	68%	0.679	70%	0.703	S	S	*	*			cis	-160.2	144.7	27.7	-54.6	0	0	0	0	109.5
2608	T	36.3	Very low	35.1	Very low	114.667 Å²	114.667	115.2 Å²	115.2	70%	0.703	71%	0.706	S	S	*	*			trans	28.9	145.1	134.8	-0	0	0	0	0	117.2
2609	T	38	Very low	35.4	Very low	119.333 Å²	119.333	115.4 Å²	115.4	73%	0.732	71%	0.708	S	S	*	*			cis	-163.1	152.6	37.2	-40.9	0	0	0	0	111.6
2610	T	37.1	Very low	35.5	Very low	114.333 Å²	114.333	116.4 Å²	116.4	70%	0.701	71%	0.714	S	S	*	*			trans	40.4	151.9	157.4	-2.7	0	0	0	0	116.5
2611	T	38.6	Very low	35.7	Very low	120.667 Å²	120.667	116.3 Å²	116.3	74%	0.74	71%	0.713	S	S	*	*			cis	-152.8	131.1	34.1	-56.8	0	0	0	0	112.3
2612	T	36.9	Very low	35.8	Very low	112 Å²	112	116.6 Å²	116.6	69%	0.687	72%	0.715	S	S	*	*			trans	4.7	141.4	140.7	-36.9	0	0	0	0	118.7
2613	T	38.4	Very low	35.7	Very low	120.667 Å²	120.667	116.3 Å²	116.3	74%	0.74	71%	0.714	S	S	*	*			cis	-166.7	169.9	39	-65.8	0	0	0	0	109.9
2614	T	36.6	Very low	35.7	Very low	111.667 Å²	111.667	117 Å²	117	69%	0.685	72%	0.718	S	S	*	*			cis	167.2	146.4	-1.2	-61.9	0	0	0	0	109.9
2615	T	35.9	Very low	35.6	Very low	127 Å²	127	116.7 Å²	116.7	78%	0.779	72%	0.716	S	S	*	*			trans	-134.6	146	166.4	-11.3	0	0	0	0	112.5
2616	T	36.1	Very low	35.4	Very low	113 Å²	113	117.2 Å²	117.2	69%	0.693	72%	0.719	S	S	*	*			cis	-163.5	152.9	-13	-58.9	0	0	0	0	108.6
2617	T	35.5	Very low	35.5	Very low	114 Å²	114	117.3 Å²	117.3	70%	0.699	72%	0.719	S	S	*	*				10.3	144	120.2	-27.9	0	0	0	0	115.7
2618	T	36.5	Very low	35.2	Very low	118.333 Å²	118.333	117 Å²	117	73%	0.726	72%	0.718	S	S	*	*				132.7	148.6	117.4	-24.1	0	0	0	0	116.6
2619	T	36	Very low	35.1	Very low	113 Å²	113	117.7 Å²	117.7	69%	0.693	72%	0.722	S	S	*	*			trans	-49.1	151	143.5	-15	0	0	0	0	114.3
2620	T	34.9	Very low	35	Very low	126.333 Å²	126.333	116.9 Å²	116.9	78%	0.775	72%	0.717	S	S	*	*				176.2	139.4	117.7	-45.2	0	0	0	0	112
2621	T	35.4	Very low	34.9	Very low	111 Å²	111	117.3 Å²	117.3	68%	0.681	72%	0.72	S	S	*	*			trans	-122.7	147	167.4	-40.5	0	0	0	0	111.5
2622	T	34.9	Very low	34.7	Very low	126.333 Å²	126.333	116.9 Å²	116.9	78%	0.775	72%	0.717	S	S	*	*			trans	173.5	140	154	-14.3	0	0	0	0	113.7
2623	T	31.3	Very low	34.7	Very low	108.667 Å²	108.667	116.8 Å²	116.8	67%	0.667	72%	0.716	S	S	*	*			cis	-174.2	135.7	14.7	-52.1	0	0	0	0	111.1
2624	T	32.6	Very low	34.6	Very low	125.333 Å²	125.333	115.9 Å²	115.9	77%	0.769	71%	0.711	S	S	*	*			trans	92.6	132.4	161.6	6.5	0	0	0	0	114.5
2625	T	32	Very low	34.6	Very low	113.333 Å²	113.333	116 Å²	116	70%	0.695	71%	0.712	S	S	*	*			cis	163.5	140.1	45.1	-41.1	0	0	0	0	113
2626	T	30.2	Very low	34.6	Very low	117 Å²	117	115.3 Å²	115.3	72%	0.718	71%	0.707	S	S	*	*			trans	19.3	135.4	153	-21.8	0	0	0	0	118.3
2627	T	35.6	Very low	34.6	Very low	125.333 Å²	125.333	115.3 Å²	115.3	77%	0.769	71%	0.708	S	S	*	*				-157.7	136.6	75.3	-41.2	0	0	0	0	111.9
2628	T	30.2	Very low	34.6	Very low	105.333 Å²	105.333	115.7 Å²	115.7	65%	0.646	71%	0.71	S	S	*	*			trans	-5.3	139.5	131.7	-21.9	0	0	0	0	116.4	T2630	T2628-T2630 WeakPolarHBondContact CG2-OG1 3.49Å
2629	T	35.3	Very low	34.5	Very low	130 Å²	130	115.3 Å²	115.3	80%	0.798	71%	0.707	S	S	*	*				-167.2	157.9	106.5	-29.6	0	0	0	0	107.9
2630	T	34.4	Very low	34.5	Very low	102.333 Å²	102.333	115 Å²	115	63%	0.628	71%	0.706	S	S	*	*			cis	168.8	130.6	-1.4	-39.9	0	0	0	0	110.7	T2628	T2628-T2630 WeakPolarHBondContact CG2-OG1 3.49Å
2631	T	35.2	Very low	34.4	Very low	122 Å²	122	113.2 Å²	113.2	75%	0.748	70%	0.695	S	S	*	*			trans	87.9	136.8	157	-11.2	0	0	0	0	114.7
2632	T	35.2	Very low	34.4	Very low	111.333 Å²	111.333	113.4 Å²	113.4	68%	0.683	70%	0.696	S	S	*	*			cis	-130.5	134.4	45.8	-29.5	0	0	0	0	110.4
2633	T	36	Very low	34.4	Very low	110.333 Å²	110.333	112.5 Å²	112.5	68%	0.677	69%	0.69	S	S	*	*				78.9	118.7	125.3	-43.5	0	0	0	0	115.1
2634	T	35.9	Very low	34.5	Very low	103 Å²	103	112.9 Å²	112.9	63%	0.632	69%	0.693	S	S	*	*			trans	-134.1	135.4	138.1	-25.6	0	0	0	0	113.3	E2972	T2634-E2972 VanDerWaalsContact CG2-OE2 3.25Å; T2634-E2972 WeakPolarHBondContact CG2-OE2 3.32Å; T2634-E2972 PolarHBondContact OG1-OE1 3.12Å; T2634-E2972 PolarHBondContact OG1-OE2 2.77Å
2635	T	37	Very low	34.6	Very low	113.333 Å²	113.333	112.5 Å²	112.5	70%	0.695	69%	0.69	S	S	*	*				-178.9	116.3	89	-32.9	0	0	0	0	113
2636	T	36.9	Very low	34.7	Very low	111 Å²	111	112.7 Å²	112.7	68%	0.681	69%	0.691	S	S	*	*				41.3	134	115.9	-13.8	0	0	0	0	117.6
2637	T	35.6	Very low	34.8	Very low	115 Å²	115	112.2 Å²	112.2	71%	0.706	69%	0.688	S	S	*	*				94.8	151.4	87.9	8.6	0	0	0	0	114.8
2638	T	35.9	Very low	34.8	Very low	120.333 Å²	120.333	111.6 Å²	111.6	74%	0.738	69%	0.685	S	S	*	*				-140	137.2	68.3	-26.9	0	0	0	0	114.5
2639	T	34.4	Very low	35.1	Very low	110.667 Å²	110.667	111.5 Å²	111.5	68%	0.679	68%	0.684	S	S	*	*				-138.7	147.8	103.3	-42.8	0	0	0	0	114.2
2640	T	34.6	Very low	35.1	Very low	107 Å²	107	110.3 Å²	110.3	66%	0.656	68%	0.676	S	S	*	*			trans	-143.9	134.6	140.3	-45.5	0	0	0	0	114.1
2641	T	34.2	Very low	35.1	Very low	88.6667 Å²	88.6667	110.2 Å²	110.2	54%	0.544	68%	0.676	S	S	.	*			trans	134.9	134.8	159.2	-38	0	0	0	0	111.5
2642	T	35.4	Very low	35.2	Very low	115 Å²	115	109.8 Å²	109.8	71%	0.706	67%	0.674	S	S	*	*				179.1	124.4	72.4	-54	0	0	0	0	110.1
2643	T	34.1	Very low	35.2	Very low	107.667 Å²	107.667	109.2 Å²	109.2	66%	0.661	67%	0.67	S	S	*	*			trans	69.7	143.5	154	-21.4	0	0	0	0	116.5
2644	T	34.3	Very low	35.2	Very low	117.667 Å²	117.667	108.7 Å²	108.7	72%	0.722	67%	0.667	S	S	*	*			trans	171.6	118.6	172.9	-28.1	0	0	0	0	114.4
2645	T	33.6	Very low	35.2	Very low	116.667 Å²	116.667	108.2 Å²	108.2	72%	0.716	66%	0.664	S	S	*	*			trans	78.7	124.2	130.3	-28.2	0	0	0	0	121.1
2646	T	33.6	Very low	35.3	Very low	116.667 Å²	116.667	107 Å²	107	72%	0.716	66%	0.656	S	S	*	*			trans	97.2	106.3	144.9	-29.3	0	0	0	0	116.6
2647	T	34	Very low	35.4	Very low	106.333 Å²	106.333	104.8 Å²	104.8	65%	0.652	64%	0.643	S	S	*	*			trans	53.1	128.2	136.2	-41	0	0	0	0	116.3
2648	T	35.4	Very low	35.5	Very low	113.333 Å²	113.333	104.1 Å²	104.1	70%	0.695	64%	0.639	S	S	*	*			trans	-170.9	128.7	140.7	-32	0	0	0	0	113.9	T2650	T2648-T2650 PolarHBondContact O-N 3.02Å; T2648-T2650 VanDerWaalsContact O-N 3.15Å
2649	T	34.9	Very low	35.7	Very low	103 Å²	103	103.6 Å²	103.6	63%	0.632	64%	0.636	S	S	*	*			trans	-88.9	129	173.6	-32.4	0	0	0	0	114.3
2650	T	35.4	Very low	35.9	Very low	104 Å²	104	102.9 Å²	102.9	64%	0.638	63%	0.631	S	S	*	*			trans	-173	131.6	133.9	-33.5	0	0	0	0	117.9	T2648	T2648-T2650 PolarHBondContact O-N 3.02Å; T2648-T2650 VanDerWaalsContact O-N 3.15Å
2651	T	35.6	Very low	36	Very low	102 Å²	102	103 Å²	103	63%	0.626	63%	0.632	S	S	*	*			trans	26.8	129.5	154	-32.6	0	0	0	0	116
2652	T	36.3	Very low	36.2	Very low	113 Å²	113	103.9 Å²	103.9	69%	0.693	64%	0.637	S	S	*	*				151.1	112.5	72	-53.3	0	0	0	0	114.3
2653	T	36	Very low	36.3	Very low	99.3333 Å²	99.3333	104.1 Å²	104.1	61%	0.609	64%	0.639	S	S	*	*				30.8	143.6	128.4	-33.4	0	0	0	0	119.5
2654	T	36.9	Very low	36.4	Very low	98 Å²	98	104.5 Å²	104.5	60%	0.601	64%	0.641	S	S	*	*				149.4	149.8	117.1	-24	0	0	0	0	115.4	T2656	T2654-T2656 WeakPolarHBondContact CG2-OG1 3.3Å
2655	T	35.9	Very low	36.4	Very low	93.3333 Å²	93.3333	104.5 Å²	104.5	57%	0.573	64%	0.641	S	S	*	*			trans	-175.9	143.2	166.4	-104.1	0	0	0	0	115.6	G1821 L1823 R1824	G1821-T2655 VanDerWaalsContact O-CG2 3.28Å; G1821-T2655 WeakPolarHBondContact O-CG2 3.36Å; L1823-T2655 CarbonylContact C-O 3.42Å; L1823-T2655 VanDerWaalsContact C-O 3.27Å; L1823-T2655 WeakPolarHBondContact CA-O 3.45Å; L1823-T2655 PolarHBondContact N-O 2.91Å; R1824-T2655 PolarHBondContact N-O 3.48Å
2656	T	38.8	Very low	36.6	Very low	88 Å²	88	104.8 Å²	104.8	54%	0.54	64%	0.643	S	S	.	*			trans	76.4	0	177.2	6.9	0	0	0	0	120.6	T2654	T2654-T2656 WeakPolarHBondContact CG2-OG1 3.3Å
2657	T	37.6	Very low	36.6	Very low	65.3333 Å²	65.3333	105 Å²	105	40%	0.401	64%	0.644	S	S	.	*				0	157.8	0	-51.6	0	0	0	0	113.1	N1822 L1823	N1822-T2657 WeakPolarHBondContact CA-OG1 3.31Å; N1822-T2657 WeakPolarHBondContact CB-OG1 3.46Å; N1822-T2657 PolarHBondContact OD1-OG1 2.92Å; L1823-T2657 VanDerWaalsContact CD2-N 3.35Å; L1823-T2657 WeakPolarHBondContact CD2-O 3.4Å; L1823-T2657 PolarHBondContact N-OG1 3.3Å; L1823-T2657 VanDerWaalsContact N-OG1 3.14Å
2658	T	39.3	Very low	36.6	Very low	99.6667 Å²	99.6667	105.5 Å²	105.5	61%	0.611	65%	0.647	S	S	*	*			trans	158.6	137.7	144.3	-27.4	0	0	0	0	116.8	T2660	T2658-T2660 HydrophobicContact CG2-CG2 4.08Å
2659	T	39.6	Very low	36.5	Very low	110.667 Å²	110.667	105.7 Å²	105.7	68%	0.679	65%	0.648	S	S	*	*				-155.5	125.3	99.5	-25.4	0	0	0	0	117.1
2660	T	37.7	Very low	36.4	Very low	95.6667 Å²	95.6667	106.2 Å²	106.2	59%	0.587	65%	0.651	S	S	*	*			trans	58.7	151.1	153.5	6.6	0	0	0	0	118.4	T2658	T2658-T2660 HydrophobicContact CG2-CG2 4.08Å
2661	T	38.5	Very low	36.3	Very low	108 Å²	108	107.1 Å²	107.1	66%	0.663	66%	0.657	S	S	*	*				143.1	145.6	108.1	-5	0	0	0	0	116.4
2662	T	36.8	Very low	36.2	Very low	107.667 Å²	107.667	107.5 Å²	107.5	66%	0.661	66%	0.659	S	S	*	*			trans	-169	145.7	140.5	18.7	0	0	0	0	116.1
2663	T	37.4	Very low	36.1	Very low	120.333 Å²	120.333	107.7 Å²	107.7	74%	0.738	66%	0.661	S	S	*	*				167.1	145.2	94.8	2.9	0	0	0	0	117.6
2664	T	36.6	Very low	36.1	Very low	115.333 Å²	115.333	108.5 Å²	108.5	71%	0.708	67%	0.665	S	S	*	*				72.9	149.6	109.5	-8.8	0	0	0	0	119.2
2665	T	35.6	Very low	36	Very low	117.333 Å²	117.333	109.2 Å²	109.2	72%	0.72	67%	0.67	S	S	*	*			trans	119.8	146	142.4	-2.4	0	0	0	0	118
2666	T	35.9	Very low	36	Very low	124 Å²	124	110.1 Å²	110.1	76%	0.761	68%	0.676	S	S	*	*				149.9	156.2	127.9	-42.3	0	0	0	0	114.4
2667	T	33.6	Very low	36	Very low	121.333 Å²	121.333	110.7 Å²	110.7	74%	0.744	68%	0.679	S	S	*	*			trans	-158.1	163.3	-173.1	-29.6	0	0	0	0	112.6
2668	T	34.9	Very low	36	Very low	116 Å²	116	112.6 Å²	112.6	71%	0.712	69%	0.691	S	S	*	*				151.9	124.2	124.6	-34.8	0	0	0	0	115.7
2669	T	33	Very low	35.9	Very low	117.333 Å²	117.333	113.3 Å²	113.3	72%	0.72	70%	0.695	S	S	*	*				65.3	119.3	127.8	-18.5	0	0	0	0	123.1
2670	T	33.9	Very low	35.8	Very low	113.333 Å²	113.333	113.7 Å²	113.7	70%	0.695	70%	0.697	S	S	*	*				83.1	105.8	126.7	-18.7	0	0	0	0	121.6
2671	T	32.6	Very low	35.8	Very low	122.667 Å²	122.667	114.3 Å²	114.3	75%	0.753	70%	0.701	S	S	*	*				100.7	135.9	120.4	-47	0	0	0	0	119.8
2672	T	34.4	Very low	35.7	Very low	110.667 Å²	110.667	115.3 Å²	115.3	68%	0.679	71%	0.707	S	S	*	*			trans	70.7	111.8	142.1	-17.6	0	0	0	0	120
2673	T	33.1	Very low	35.7	Very low	117 Å²	117	115.2 Å²	115.2	72%	0.718	71%	0.707	S	S	*	*				105.2	113.9	106	-38.1	0	0	0	0	118.5
2674	T	35.1	Very low	35.6	Very low	116.333 Å²	116.333	115.5 Å²	115.5	71%	0.714	71%	0.709	S	S	*	*			trans	95.1	126.9	132.3	-32.1	0	0	0	0	118.7
2675	T	35.4	Very low	35.5	Very low	113.667 Å²	113.667	115.6 Å²	115.6	70%	0.697	71%	0.709	S	S	*	*				89.3	111	122.4	-19.7	0	0	0	0	115.1
2676	T	35.9	Very low	35.6	Very low	112.333 Å²	112.333	116.1 Å²	116.1	69%	0.689	71%	0.712	S	S	*	*				95.6	147.5	87.3	-36	0	0	0	0	111.8
2677	T	38.8	Very low	35.5	Very low	99.6667 Å²	99.6667	115.8 Å²	115.8	61%	0.611	71%	0.71	S	S	*	*			cis	-166.3	143	48.4	-49.4	0	0	0	0	113.1
2678	T	38.4	Very low	35.4	Very low	104.667 Å²	104.667	115.7 Å²	115.7	64%	0.642	71%	0.71	S	S	*	*			trans	44.5	131.5	156.1	-20.7	0	0	0	0	119
2679	T	36.1	Very low	35.5	Very low	114.667 Å²	114.667	115.7 Å²	115.7	70%	0.703	71%	0.71	S	S	*	*				161.9	140.7	82.2	-46.6	0	0	0	0	112.7
2680	T	38.9	Very low	35.5	Very low	119.333 Å²	119.333	115.9 Å²	115.9	73%	0.732	71%	0.711	S	S	*	*			trans	113.7	127.7	147	-46.3	0	0	0	0	113.7
2681	T	36.7	Very low	35.6	Very low	109 Å²	109	116.2 Å²	116.2	67%	0.669	71%	0.713	S	S	*	*			cis	-142.3	169.7	49.7	-40.4	0	0	0	0	112.6
2682	T	36.9	Very low	35.7	Very low	128.333 Å²	128.333	115.9 Å²	115.9	79%	0.787	71%	0.711	S	S	*	*				-168	130.4	128.7	-46.7	0	0	0	0	108
2683	T	35.5	Very low	35.7	Very low	106.667 Å²	106.667	116.5 Å²	116.5	65%	0.654	72%	0.715	S	S	*	*				106.8	131	71.1	-48.7	0	0	0	0	112.1	T2685	T2683-T2685 WeakPolarHBondContact CG2-OG1 3.36Å
2684	T	37	Very low	35.8	Very low	126.333 Å²	126.333	116.8 Å²	116.8	78%	0.775	72%	0.717	S	S	*	*			trans	-133.5	159.6	144.1	-25	0	0	0	0	110.1
2685	T	33.7	Very low	35.7	Very low	117 Å²	117	117.2 Å²	117.2	72%	0.718	72%	0.719	S	S	*	*				-153.8	135	50.3	-52.6	0	0	0	0	109.9	T2683	T2683-T2685 WeakPolarHBondContact CG2-OG1 3.36Å
2686	T	36.8	Very low	35.7	Very low	128 Å²	128	117.7 Å²	117.7	79%	0.785	72%	0.722	S	S	*	*			trans	-149.8	133.4	176.5	-44.8	0	0	0	0	111.6
2687	T	34.1	Very low	35.7	Very low	117.333 Å²	117.333	117.9 Å²	117.9	72%	0.72	72%	0.723	S	S	*	*			trans	-122.6	160.4	170.7	-52.5	0	0	0	0	110.8
2688	T	32.3	Very low	35.5	Very low	119.333 Å²	119.333	119.2 Å²	119.2	73%	0.732	73%	0.731	S	S	*	*			trans	109.1	149.3	160.4	-18.9	0	0	0	0	114.8
2689	T	36.1	Very low	35.3	Very low	116.667 Å²	116.667	119.7 Å²	119.7	72%	0.716	73%	0.734	S	S	*	*			trans	176.3	139.4	142.9	-20.4	0	0	0	0	113.8
2690	T	33.8	Very low	35.2	Very low	120.667 Å²	120.667	119.8 Å²	119.8	74%	0.74	74%	0.735	S	S	*	*			trans	45.7	144.6	144.3	-19.1	0	0	0	0	115.1
2691	T	36	Very low	35	Very low	119.667 Å²	119.667	120.1 Å²	120.1	73%	0.734	74%	0.737	S	S	*	*				179.9	144	104.4	-49.3	0	0	0	0	112.6
2692	T	34.7	Very low	34.9	Very low	116 Å²	116	121 Å²	121	71%	0.712	74%	0.742	S	S	*	*			trans	25.4	129.4	164.1	17.8	0	0	0	0	117.9
2693	T	34.3	Very low	34.9	Very low	124 Å²	124	120.3 Å²	120.3	76%	0.761	74%	0.738	S	S	*	*				112.5	114.4	83.9	-66	0	0	0	0	111.6
2694	T	34.6	Very low	34.9	Very low	124 Å²	124	120.9 Å²	120.9	76%	0.761	74%	0.742	S	S	*	*				153.9	124	106.8	-64.8	0	0	0	0	111.9
2695	T	34.1	Very low	34.8	Very low	123.333 Å²	123.333	119.6 Å²	119.6	76%	0.757	73%	0.734	S	S	*	*			trans	-122.1	137	172.3	-45.6	0	0	0	0	109.8
2696	T	34.9	Very low	35	Very low	125.667 Å²	125.667	119.8 Å²	119.8	77%	0.771	74%	0.735	S	S	*	*				155.7	116.8	116.7	-44.8	0	0	0	0	111.6
2697	T	35	Very low	34.9	Very low	115.333 Å²	115.333	118.9 Å²	118.9	71%	0.708	73%	0.729	S	S	*	*			trans	-173.3	130.2	135.5	-29.4	0	0	0	0	110
2698	T	34.9	Very low	35	Very low	127 Å²	127	118.8 Å²	118.8	78%	0.779	73%	0.729	S	S	*	*			trans	97.3	148.9	134.4	10.7	0	0	0	0	113
2699	T	34.7	Very low	35.2	Very low	114.333 Å²	114.333	118.9 Å²	118.9	70%	0.701	73%	0.73	S	S	*	*			cis	-167.5	151.4	-24.3	-90.3	0	0	0	0	108.8
2700	T	34	Very low	35.3	Very low	117.667 Å²	117.667	118.7 Å²	118.7	72%	0.722	73%	0.728	S	S	*	*			trans	18.5	138.2	162.5	-16.6	0	0	0	0	118.4
2701	T	34.2	Very low	35.4	Very low	125 Å²	125	118.4 Å²	118.4	77%	0.767	73%	0.727	S	S	*	*				150.5	128.4	91.9	-60.6	0	0	0	0	113.8
2702	T	35.3	Very low	35.4	Very low	127.667 Å²	127.667	118 Å²	118	78%	0.783	72%	0.724	S	S	*	*			trans	-112.4	145.2	165.6	-47.9	0	0	0	0	110.9
2703	T	35.9	Very low	35.6	Very low	115 Å²	115	118 Å²	118	71%	0.706	72%	0.724	S	S	*	*			trans	-138.9	153.6	162.8	-61.1	0	0	0	0	111.1
2704	T	35.7	Very low	35.7	Very low	119.667 Å²	119.667	117.4 Å²	117.4	73%	0.734	72%	0.72	S	S	*	*			trans	-128.2	154.8	-174.8	-46.1	0	0	0	0	112.2
2705	T	36.1	Very low	35.9	Very low	99 Å²	99	117.1 Å²	117.1	61%	0.607	72%	0.719	S	S	*	*			trans	-178	149	169.4	-46.7	0	0	0	0	114.3
2706	T	36.7	Very low	36	Very low	119.667 Å²	119.667	116.6 Å²	116.6	73%	0.734	72%	0.715	S	S	*	*			trans	176.5	121.6	168.9	-31.2	0	0	0	0	114.2
2707	T	36.4	Very low	36.1	Very low	109.667 Å²	109.667	116.3 Å²	116.3	67%	0.673	71%	0.714	S	S	*	*				69.5	132.9	126	10.4	0	0	0	0	116.6
2708	T	36.2	Very low	36.3	Very low	115.667 Å²	115.667	116.5 Å²	116.5	71%	0.71	72%	0.715	S	S	*	*				-127.2	150.2	51.2	-30.7	0	0	0	0	113.2
2709	T	35.8	Very low	36.3	Very low	122 Å²	122	115.6 Å²	115.6	75%	0.748	71%	0.709	S	S	*	*			trans	-26.1	139.2	154.9	-7.3	0	0	0	0	116.3
2710	T	37.1	Very low	36.4	Very low	112.333 Å²	112.333	116.1 Å²	116.1	69%	0.689	71%	0.712	S	S	*	*				-134.8	149.6	50.7	-35.4	0	0	0	0	110.1
2711	T	36.3	Very low	36.5	Very low	114.667 Å²	114.667	115.7 Å²	115.7	70%	0.703	71%	0.71	S	S	*	*			trans	-151	130.2	130.6	-19.3	0	0	0	0	113.2	T2713	T2711-T2713 PolarHBondContact O-N 2.82Å
2712	T	37.4	Very low	36.6	Very low	111.333 Å²	111.333	115.6 Å²	115.6	68%	0.683	71%	0.709	S	S	*	*				-77.1	134.1	88.9	-19.7	0	0	0	0	111.5	T2714	T2712-T2714 PolarHBondContact O-N 3.25Å
2713	T	37.9	Very low	36.6	Very low	114.333 Å²	114.333	114.8 Å²	114.8	70%	0.701	70%	0.704	S	S	*	*			cis	-125.4	109.3	37.3	-44.1	0	0	0	0	109.8	T2711 T2715	T2711-T2713 PolarHBondContact O-N 2.82Å; T2713-T2715 PolarHBondContact O-N 3.38Å; T2713-T2715 VanDerWaalsContact O-N 3.14Å
2714	T	36.5	Very low	36.6	Very low	112 Å²	112	115.2 Å²	115.2	69%	0.687	71%	0.707	S	S	*	*				-156.6	106.3	99.8	-56.4	0	0	0	0	111.4	T2712 T2716	T2712-T2714 PolarHBondContact O-N 3.25Å; T2714-T2716 VanDerWaalsContact C-N 3.29Å; T2714-T2716 PolarHBondContact O-N 3.21Å
2715	T	37.9	Very low	36.5	Very low	118.333 Å²	118.333	114.8 Å²	114.8	73%	0.726	71%	0.705	S	S	*	*				-110.9	129.7	106.8	-54.8	0	0	0	0	110.9	T2713 T2717	T2713-T2715 PolarHBondContact O-N 3.38Å; T2713-T2715 VanDerWaalsContact O-N 3.14Å; T2715-T2717 PolarHBondContact O-N 2.95Å
2716	T	37.5	Very low	36.5	Very low	112 Å²	112	116 Å²	116	69%	0.687	71%	0.712	S	S	*	*			cis	-126.8	141.7	31.9	-49.1	0	0	0	0	109.2	T2714 T2718	T2714-T2716 VanDerWaalsContact C-N 3.29Å; T2714-T2716 PolarHBondContact O-N 3.21Å; T2716-T2718 PolarHBondContact O-N 3.11Å; T2716-T2718 VanDerWaalsContact O-N 3.16Å
2717	T	36.8	Very low	36.4	Very low	119.667 Å²	119.667	115.7 Å²	115.7	73%	0.734	71%	0.71	S	S	*	*			trans	-44.6	132.4	152.8	-0.7	0	0	0	0	113.2	T2715	T2715-T2717 PolarHBondContact O-N 2.95Å
2718	T	38.1	Very low	36.4	Very low	119 Å²	119	116.3 Å²	116.3	73%	0.73	71%	0.714	S	S	*	*			cis	-142.7	155.5	8	-32.3	0	0	0	0	110.2	T2716	T2716-T2718 PolarHBondContact O-N 3.11Å; T2716-T2718 VanDerWaalsContact O-N 3.16Å
2719	T	36.2	Very low	36.4	Very low	108 Å²	108	116.5 Å²	116.5	66%	0.663	72%	0.715	S	S	*	*			trans	-71	141.3	150.5	-33.1	0	0	0	0	114.3
2720	T	37.3	Very low	36.5	Very low	125.333 Å²	125.333	116.2 Å²	116.2	77%	0.769	71%	0.713	S	S	*	*			trans	162.5	120.8	140.1	-33.7	0	0	0	0	115.8
2721	T	35.5	Very low	36.5	Very low	108.333 Å²	108.333	116.8 Å²	116.8	67%	0.665	72%	0.717	S	S	*	*			trans	-63.5	145	167.7	-54.9	0	0	0	0	115.1
2722	T	36.5	Very low	36.5	Very low	123 Å²	123	116.7 Å²	116.7	76%	0.755	72%	0.716	S	S	*	*			trans	145	117.2	146.5	-26.3	0	0	0	0	116.1
2723	T	34.3	Very low	36.6	Very low	112 Å²	112	117 Å²	117	69%	0.687	72%	0.718	S	S	*	*			trans	-158.2	129.9	156.7	-57.6	0	0	0	0	114.5
2724	T	36.3	Very low	36.5	Very low	123.667 Å²	123.667	116.9 Å²	116.9	76%	0.759	72%	0.717	S	S	*	*			trans	128.1	113.5	144.9	-44	0	0	0	0	116.1
2725	T	34.7	Very low	36.5	Very low	111.667 Å²	111.667	117.2 Å²	117.2	69%	0.685	72%	0.719	S	S	*	*			trans	69.5	119.1	131.5	-35.8	0	0	0	0	114.8
2726	T	35.2	Very low	36.5	Very low	124.333 Å²	124.333	117 Å²	117	76%	0.763	72%	0.717	S	S	*	*				137.5	116.5	124.2	-56.3	0	0	0	0	113.8
2727	T	35.7	Very low	36.4	Very low	111.333 Å²	111.333	116.8 Å²	116.8	68%	0.683	72%	0.717	S	S	*	*				92.7	115.1	105.5	-44.6	0	0	0	0	115.5
2728	T	34.8	Very low	36.4	Very low	123.333 Å²	123.333	116.7 Å²	116.7	76%	0.757	72%	0.716	S	S	*	*				29.3	167.5	114.1	-10.4	0	0	0	0	117.3
2729	T	37.8	Very low	36.3	Very low	120.333 Å²	120.333	116.6 Å²	116.6	74%	0.738	72%	0.715	S	S	*	*			cis	-166.2	146.4	47.2	-46.3	0	0	0	0	111.1
2730	T	36.3	Very low	36.3	Very low	115.667 Å²	115.667	117.1 Å²	117.1	71%	0.71	72%	0.718	S	S	*	*				-51.9	155.9	124.8	-33.6	0	0	0	0	115.3
2731	T	38.5	Very low	36.2	Very low	125.333 Å²	125.333	116.6 Å²	116.6	77%	0.769	72%	0.715	S	S	*	*			trans	-149.1	130.7	138.3	-37.3	0	0	0	0	112.9
2732	T	36.5	Very low	36.2	Very low	110.667 Å²	110.667	117.2 Å²	117.2	68%	0.679	72%	0.719	S	S	*	*				-81.6	145.5	127.1	-12	0	0	0	0	114.5
2733	T	37.7	Very low	36.2	Very low	118.667 Å²	118.667	117 Å²	117	73%	0.728	72%	0.718	S	S	*	*				112.5	130.6	113.8	-27.4	0	0	0	0	116
2734	T	37.3	Very low	36.1	Very low	112 Å²	112	117.1 Å²	117.1	69%	0.687	72%	0.718	S	S	*	*				91.5	120.6	108.8	-10.3	0	0	0	0	115.2
2735	T	36	Very low	36.1	Very low	118 Å²	118	117.4 Å²	117.4	72%	0.724	72%	0.72	S	S	*	*				87.8	130.2	94.7	-55.2	0	0	0	0	116.3
2736	T	36.9	Very low	36.1	Very low	113.667 Å²	113.667	117.4 Å²	117.4	70%	0.697	72%	0.72	S	S	*	*				160.3	152.8	84.2	-42.6	0	0	0	0	113.9
2737	T	36.2	Very low	36.3	Very low	109.667 Å²	109.667	117.5 Å²	117.5	67%	0.673	72%	0.721	S	S	*	*				45.2	149.7	126.1	-8.7	0	0	0	0	117.3
2738	T	36.9	Very low	36.3	Very low	116.333 Å²	116.333	116.9 Å²	116.9	71%	0.714	72%	0.717	S	S	*	*				164.3	136.8	115.1	-5.2	0	0	0	0	115.7
2739	T	35.7	Very low	36.4	Very low	116.333 Å²	116.333	116 Å²	116	71%	0.714	71%	0.712	S	S	*	*			trans	32.8	154.1	148.6	31.3	0	0	0	0	119.2
2740	T	36.3	Very low	36.3	Very low	119.333 Å²	119.333	115.6 Å²	115.6	73%	0.732	71%	0.709	S	S	*	*			cis	-162.9	162	-14.6	-68	0	0	0	0	108.8
2741	T	35.4	Very low	36.4	Very low	114.333 Å²	114.333	114.8 Å²	114.8	70%	0.701	70%	0.704	S	S	*	*			trans	93.3	141.6	173.1	5	0	0	0	0	116.8
2742	T	35.2	Very low	36.3	Very low	121 Å²	121	114.9 Å²	114.9	74%	0.742	71%	0.705	S	S	*	*				56.8	135.5	114.5	-11.8	0	0	0	0	116.1
2743	T	35.7	Very low	36.2	Very low	119.667 Å²	119.667	114.9 Å²	114.9	73%	0.734	71%	0.705	S	S	*	*			cis	-164.1	153.3	44.5	-47.8	0	0	0	0	112.7
2744	T	34	Very low	36.1	Very low	114 Å²	114	115.3 Å²	115.3	70%	0.699	71%	0.708	S	S	*	*			trans	-27.4	153.6	162.9	-11.6	0	0	0	0	117.2
2745	T	36.1	Very low	35.9	Very low	129.667 Å²	129.667	115.6 Å²	115.6	80%	0.796	71%	0.709	S	S	*	*				-165	154.4	106.3	-54.2	0	0	0	0	111.1
2746	T	35	Very low	35.8	Very low	111 Å²	111	115.5 Å²	115.5	68%	0.681	71%	0.709	S	S	*	*			trans	-106.1	135.1	175	-18.8	0	0	0	0	114.3
2747	T	37.6	Very low	35.6	Very low	126.333 Å²	126.333	115.8 Å²	115.8	78%	0.775	71%	0.711	S	S	*	*			trans	167.7	141	135.6	11.1	0	0	0	0	111.3
2748	T	36.3	Very low	35.6	Very low	99 Å²	99	116.2 Å²	116.2	61%	0.607	71%	0.713	S	S	*	*				-168.9	136.8	69.3	-49.6	0	0	0	0	111	D2390 I2391	D2390-T2748 WeakPolarHBondContact O-CG2 3.33Å; I2391-T2748 WeakPolarHBondContact O-CG2 3.35Å
2749	T	37.4	Very low	35.4	Very low	106 Å²	106	116.1 Å²	116.1	65%	0.65	71%	0.712	S	S	*	*				-176.9	142.6	128.7	-18.9	0	0	0	0	112.7	I2391	I2391-T2749 HydrophobicContact CB-CG2 3.89Å; I2391-T2749 HydrophobicContact CG2-CG2 3.78Å; I2391-T2749 VanDerWaalsContact O-CA 3.31Å; I2391-T2749 WeakPolarHBondContact O-CA 3.45Å; I2391-T2749 WeakPolarHBondContact O-CB 3.29Å; I2391-T2749 WeakPolarHBondContact O-CG2 3.32Å
2750	T	36.1	Very low	35.3	Very low	110.667 Å²	110.667	116.5 Å²	116.5	68%	0.679	71%	0.714	S	S	*	*				167	142.4	51.3	-46.5	0	0	0	0	113.4	Y2392	Y2392-T2750 PolarHBondContact O-N 2.83Å
2751	T	36.7	Very low	35.2	Very low	99.6667 Å²	99.6667	116.2 Å²	116.2	61%	0.611	71%	0.713	S	S	*	*			trans	31.5	140.4	167.2	11.6	0	0	0	0	119.6	I2391	I2391-T2751 HydrophobicContact CG2-CG2 4.49Å
2752	T	37.7	Very low	35.1	Very low	127.667 Å²	127.667	116.3 Å²	116.3	78%	0.783	71%	0.713	S	S	*	*				-179.7	152.1	102.9	-23.3	0	0	0	0	114.3
2753	T	34	Very low	35.1	Very low	110 Å²	110	116.2 Å²	116.2	68%	0.675	71%	0.713	S	S	*	*			trans	-109.7	150.8	173.1	-21.3	0	0	0	0	111.3
2754	T	35.7	Very low	35	Very low	127.667 Å²	127.667	116.2 Å²	116.2	78%	0.783	71%	0.713	S	S	*	*				131	135.9	123.8	-59.4	0	0	0	0	112.6
2755	T	33.1	Very low	35	Very low	116.667 Å²	116.667	116 Å²	116	72%	0.716	71%	0.712	S	S	*	*			trans	174.5	144.1	-160.5	-36.4	0	0	0	0	111.4
2756	T	34.5	Very low	34.9	Very low	117.667 Å²	117.667	116 Å²	116	72%	0.722	71%	0.712	S	S	*	*			trans	-130.5	149	153.1	-9.9	0	0	0	0	111.5
2757	T	31.7	Very low	34.9	Very low	120 Å²	120	116.1 Å²	116.1	74%	0.736	71%	0.712	S	S	*	*				89.2	140.6	105.1	-26.8	0	0	0	0	115.3
2758	T	35.5	Very low	34.8	Very low	117.667 Å²	117.667	116 Å²	116	72%	0.722	71%	0.712	S	S	*	*			trans	177.8	130.5	149.4	-49.6	0	0	0	0	110.4
2759	T	32.8	Very low	34.6	Very low	114.333 Å²	114.333	116.8 Å²	116.8	70%	0.701	72%	0.717	S	S	*	*				60.6	136.9	129.4	-41.1	0	0	0	0	114.7
2760	T	33.5	Very low	34.5	Very low	123.333 Å²	123.333	117.3 Å²	117.3	76%	0.757	72%	0.72	S	S	*	*			trans	-178.4	137.9	142.5	-31.2	0	0	0	0	112.4
2761	T	34.4	Very low	34.5	Very low	113.667 Å²	113.667	117.8 Å²	117.8	70%	0.697	72%	0.723	S	S	*	*			trans	-135.8	144.4	158.9	-53.2	0	0	0	0	113.8
2762	T	33.7	Very low	34.4	Very low	116 Å²	116	118.3 Å²	118.3	71%	0.712	73%	0.726	S	S	*	*			trans	-119.2	140.9	132.3	-45	0	0	0	0	113.3
2763	T	34.9	Very low	34.3	Very low	118.667 Å²	118.667	118.4 Å²	118.4	73%	0.728	73%	0.726	S	S	*	*			trans	100	134.6	137.3	-50.5	0	0	0	0	116.4
2764	T	34.2	Very low	34.4	Very low	121.333 Å²	121.333	118.5 Å²	118.5	74%	0.744	73%	0.727	S	S	*	*			trans	-133.9	144.4	139.1	-66.8	0	0	0	0	112.4
2765	T	34.3	Very low	34.5	Very low	109.667 Å²	109.667	118.3 Å²	118.3	67%	0.673	73%	0.726	S	S	*	*			trans	95.2	133.6	166	-48.3	0	0	0	0	114.4
2766	T	34.5	Very low	34.6	Very low	128.667 Å²	128.667	118.2 Å²	118.2	79%	0.789	73%	0.725	S	S	*	*				132	142.4	116.1	-53.5	0	0	0	0	112.1
2767	T	34.3	Very low	34.7	Very low	113.333 Å²	113.333	118.6 Å²	118.6	70%	0.695	73%	0.728	S	S	*	*			trans	-176.6	142	-157.4	-60.6	0	0	0	0	110.8
2768	T	35	Very low	34.8	Very low	124 Å²	124	118.1 Å²	118.1	76%	0.761	72%	0.724	S	S	*	*			trans	-178.2	130.5	-176.9	-57.5	0	0	0	0	108
2769	T	33.4	Very low	34.9	Very low	116 Å²	116	118.2 Å²	118.2	71%	0.712	73%	0.725	S	S	*	*				114.3	146.8	52.5	-54.1	0	0	0	0	113.8
2770	T	34.4	Very low	34.9	Very low	116.667 Å²	116.667	118.2 Å²	118.2	72%	0.716	73%	0.725	S	S	*	*			trans	53.9	126.9	158.4	-35.2	0	0	0	0	113.2
2771	T	35.3	Very low	34.9	Very low	120.667 Å²	120.667	118.1 Å²	118.1	74%	0.74	73%	0.725	S	S	*	*				163.2	126.3	58.1	-49.3	0	0	0	0	114.3
2772	T	34.7	Very low	35	Very low	110 Å²	110	118.2 Å²	118.2	68%	0.675	73%	0.725	S	S	*	*			trans	-68.7	125.9	155	-50	0	0	0	0	114
2773	T	36.3	Very low	35	Very low	129.667 Å²	129.667	118.1 Å²	118.1	80%	0.796	73%	0.725	S	S	*	*				171.1	135.1	109	-48	0	0	0	0	109.8
2774	T	35.5	Very low	35.1	Very low	112.333 Å²	112.333	118.5 Å²	118.5	69%	0.689	73%	0.727	S	S	*	*			trans	96.3	129	145.7	-51.6	0	0	0	0	113.2
2775	T	37.9	Very low	35.1	Very low	124 Å²	124	118 Å²	118	76%	0.761	72%	0.724	S	S	*	*				-162.4	131.5	93.8	-66.4	0	0	0	0	110.7
2776	T	35	Very low	35.2	Very low	113.667 Å²	113.667	118.8 Å²	118.8	70%	0.697	73%	0.729	S	S	*	*			trans	-91.7	151.6	169	-43.1	0	0	0	0	112.6
2777	T	37.5	Very low	35.2	Very low	127.667 Å²	127.667	118 Å²	118	78%	0.783	72%	0.724	S	S	*	*				-161.4	116.2	128.4	-52.3	0	0	0	0	108.4
2778	T	34	Very low	35.3	Very low	108.333 Å²	108.333	118.5 Å²	118.5	67%	0.665	73%	0.727	S	S	*	*				45.6	141.4	80.4	-35.8	0	0	0	0	112.6
2779	T	36.6	Very low	35.4	Very low	120 Å²	120	117.7 Å²	117.7	74%	0.736	72%	0.722	S	S	*	*				160.8	131	84.8	-64.6	0	0	0	0	110.2
2780	T	32.7	Very low	35.5	Very low	115 Å²	115	117.6 Å²	117.6	71%	0.706	72%	0.721	S	S	*	*			trans	-147.7	136.3	149.4	-45.1	0	0	0	0	115
2781	T	35.1	Very low	35.7	Very low	120.667 Å²	120.667	117.1 Å²	117.1	74%	0.74	72%	0.718	S	S	*	*			trans	175.7	153	160.5	11.3	0	0	0	0	113.5
2782	T	35.4	Very low	35.7	Very low	116 Å²	116	115.7 Å²	115.7	71%	0.712	71%	0.71	S	S	*	*			cis	-158.2	134.3	-15.8	-44.4	0	0	0	0	110.2
2783	T	33.2	Very low	35.8	Very low	114 Å²	114	115.3 Å²	115.3	70%	0.699	71%	0.708	S	S	*	*			trans	-5.1	132.4	137.3	-45	0	0	0	0	115.7	T2785	T2783-T2785 WeakPolarHBondContact CG2-OG1 3.33Å
2784	T	36.9	Very low	35.7	Very low	127 Å²	127	113.5 Å²	113.5	78%	0.779	70%	0.696	S	S	*	*			trans	-160.9	124.9	149.1	-15.8	0	0	0	0	109.4
2785	T	34	Very low	35.7	Very low	111.333 Å²	111.333	113.2 Å²	113.2	68%	0.683	69%	0.694	S	S	*	*			cis	-104.1	154.2	46.6	-47.3	0	0	0	0	111.5	T2783	T2783-T2785 WeakPolarHBondContact CG2-OG1 3.33Å
2786	T	37.1	Very low	35.5	Very low	126.667 Å²	126.667	112.6 Å²	112.6	78%	0.777	69%	0.691	S	S	*	*				-157	128.4	121	-51.1	0	0	0	0	110.2
2787	T	35.1	Very low	35.5	Very low	112 Å²	112	112.7 Å²	112.7	69%	0.687	69%	0.691	S	S	*	*			trans	-31.3	145.4	149.6	-18.4	0	0	0	0	112.9
2788	T	36.9	Very low	35.3	Very low	122.667 Å²	122.667	112 Å²	112	75%	0.753	69%	0.687	S	S	*	*				-173.3	141.7	68.6	-53.7	0	0	0	0	110
2789	T	37	Very low	35.3	Very low	108 Å²	108	112.2 Å²	112.2	66%	0.663	69%	0.688	S	S	*	*				153.2	131.3	63.6	-53.9	0	0	0	0	113.7
2790	T	35.8	Very low	35.3	Very low	112.333 Å²	112.333	112.7 Å²	112.7	69%	0.689	69%	0.692	S	S	*	*			trans	22.8	148.1	148.5	0.8	0	0	0	0	119.6
2791	T	37.2	Very low	35.6	Very low	107 Å²	107	112.3 Å²	112.3	66%	0.656	69%	0.689	S	S	*	*			cis	-162.8	125.2	48.7	-73	0	0	0	0	112.3
2792	T	35.8	Very low	35.7	Very low	90.6667 Å²	90.6667	112.3 Å²	112.3	56%	0.556	69%	0.689	S	S	*	*			trans	11.6	139.7	157.1	-34.1	0	0	0	0	120.4	A2051	A2051-T2792 HydrophobicContact CB-CG2 3.93Å
2793	T	36.1	Very low	35.9	Very low	103 Å²	103	112.4 Å²	112.4	63%	0.632	69%	0.69	S	S	*	*			trans	-132.9	163.5	131.5	-5	0	0	0	0	114.6	A2051 S2052	A2051-T2793 CarbonylContact C-O 3.5Å; A2051-T2793 WeakPolarHBondContact CA-O 3.44Å; A2051-T2793 VanDerWaalsContact CB-O 3.31Å; A2051-T2793 WeakPolarHBondContact CB-O 3.17Å; S2052-T2793 PolarHBondContact N-O 2.82Å; S2052-T2793 PolarHBondContact OG-O 3.49Å; S2052-T2793 PolarHBondContact OG-OG1 3.24Å
2794	T	35.6	Very low	36	Very low	90.3333 Å²	90.3333	112.9 Å²	112.9	55%	0.554	69%	0.692	S	S	*	*			trans	-155.4	144.7	-179.2	-48	0	0	0	0	117.7	S2052	S2052-T2794 WeakPolarHBondContact OG-CA 3.41Å; S2052-T2794 PolarHBondContact OG-N 3.37Å; S2052-T2794 VanDerWaalsContact OG-N 3.12Å; S2052-T2794 PolarHBondContact OG-O 3.33Å
2795	T	34.7	Very low	35.8	Very low	106.333 Å²	106.333	112 Å²	112	65%	0.652	69%	0.687	S	S	*	*			trans	-158.9	143.1	146.9	-26.5	0	0	0	0	113.4
2796	T	34.5	Very low	35.8	Very low	112.667 Å²	112.667	112.3 Å²	112.3	69%	0.691	69%	0.689	S	S	*	*				90.5	136.6	77.6	-11.6	0	0	0	0	115.5
2797	T	34.1	Very low	35.6	Very low	114.333 Å²	114.333	111.3 Å²	111.3	70%	0.701	68%	0.683	S	S	*	*				-31.8	149.7	114.5	-27.9	0	0	0	0	114.9
2798	T	33.6	Very low	35.6	Very low	113.333 Å²	113.333	111.7 Å²	111.7	70%	0.695	69%	0.685	S	S	*	*				159.7	152.1	80.5	-23.7	0	0	0	0	114.9
2799	T	33.7	Very low	35.5	Very low	112.667 Å²	112.667	111.2 Å²	111.2	69%	0.691	68%	0.682	S	S	*	*			trans	50.6	128.9	135.5	-27.6	0	0	0	0	115.1
2800	T	37.8	Very low	35.3	Very low	131.333 Å²	131.333	111.6 Å²	111.6	81%	0.806	69%	0.685	S	S	*	*			cis	178.7	105.7	46.8	-51.3	0	0	0	0	113.2
2801	T	37.3	Very low	35.3	Very low	105.5 Å²	105.5	111.8 Å²	111.8	65%	0.647	69%	0.686	S	S	*	*			trans	9.2	149.8	134.5	-34.6	0	0	0	0	114.6
2802	T	38.4	Very low	35.2	Very low	121.5 Å²	121.5	111.6 Å²	111.6	75%	0.745	68%	0.684	S	S	*	*				-132.3	-160.1	65.5	-56.4	0	0	0	0	112.1	T2804	T2802-T2804 HydrophobicContact CG2-CG2 4.16Å
2803	T	38.1	Very low	35.2	Very low	117.5 Å²	117.5	112 Å²	112	72%	0.721	69%	0.687	S	S	*	*				-134.2	132	-89.6	-48.8	0	0	0	0	109.5
2804	T	36	Very low	35.3	Very low	124 Å²	124	111.7 Å²	111.7	76%	0.761	69%	0.686	S	S	*	*				146.9	126.3	77.9	-42.1	0	0	0	0	113.3	T2802	T2802-T2804 HydrophobicContact CG2-CG2 4.16Å
2805	T	33.2	Very low	35.5	Very low	109.5 Å²	109.5	110.9 Å²	110.9	67%	0.672	68%	0.68	S	S	*	*				-134.7	162	-93.4	-83.6	0	0	0	0	111.8
2806	T	34.5	Very low	35.7	Very low	118 Å²	118	111.2 Å²	111.2	72%	0.724	68%	0.682	S	S	*	*			trans	89.1	131.6	132.7	-40.1	0	0	0	0	113
2807	T	32.9	Very low	35.8	Very low	104 Å²	104	111.4 Å²	111.4	64%	0.638	68%	0.683	S	S	*	*			cis	132.4	154.8	42.5	-38.8	0	0	0	0	112.5
2808	T	35	Very low	35.9	Very low	120 Å²	120	111.3 Å²	111.3	74%	0.736	68%	0.683	S	S	*	*			trans	77.1	153.1	161.9	53.6	0	0	0	0	118.7
2809	T	34.2	Very low	36.1	Very low	112.5 Å²	112.5	111.5 Å²	111.5	69%	0.69	68%	0.684	S	S	*	*			cis	-163.1	163.5	-43.3	10.7	0	0	0	0	111.1
2810	T	33.7	Very low	36.2	Very low	118 Å²	118	111.4 Å²	111.4	72%	0.724	68%	0.684	S	S	*	*			trans	63.4	131.5	153.2	46.4	0	0	0	0	120
2811	T	34.2	Very low	36.1	Very low	115 Å²	115	110.7 Å²	110.7	71%	0.706	68%	0.679	S	S	*	*				138.4	133.7	61.5	-12.2	0	0	0	0	115.2
2812	T	34.9	Very low	35.9	Very low	102.5 Å²	102.5	111 Å²	111	63%	0.629	68%	0.681	S	S	*	*				92.3	125.2	111.1	-25.4	0	0	0	0	117.1
2813	T	37.5	Very low	35.7	Very low	99 Å²	99	111.1 Å²	111.1	61%	0.607	68%	0.682	S	S	*	*				133.5	131.3	108.9	-14.1	0	0	0	0	118.9	L2225 L2226	L2225-T2813 PolarHBondContact N-O 2.85Å; L2226-T2813 VanDerWaalsContact N-C 3.26Å; L2226-T2813 CarbonylContact O-C 3.51Å; L2226-T2813 WeakPolarHBondContact O-CA 3.41Å
2814	T	38.1	Very low	35.5	Very low	98.5 Å²	98.5	111 Å²	111	60%	0.604	68%	0.681	S	S	*	*			trans	53.4	145.5	142.4	-35.8	0	0	0	0	121.4	D2224 L2225 L2226	D2224-T2814 CarbonylContact C-O 3.56Å; L2225-T2814 CarbonylContact C-O 3.6Å; L2225-T2814 VanDerWaalsContact C-O 3.25Å; L2225-T2814 PolarHBondContact N-O 3.49Å; L2226-T2814 PolarHBondContact N-O 3.44Å; L2226-T2814 PolarHBondContact O-N 3Å
2815	T	38.7	Very low	35.4	Very low	72.5 Å²	72.5	110.5 Å²	110.5	45%	0.445	68%	0.678	S	S	.	*			cis	-164.7	145.8	-8.9	-36.2	0	0	0	0	113.4	L2227 N2228	L2227-T2815 PolarHBondContact N-OG1 2.78Å; L2227-T2815 PolarHBondContact O-OG1 3.46Å; N2228-T2815 VanDerWaalsContact N-CG2 3.28Å; N2228-T2815 PolarHBondContact O-OG1 3.36Å
2816	T	38.6	Very low	35.5	Very low	113.5 Å²	113.5	110.8 Å²	110.8	70%	0.696	68%	0.68	S	S	*	*			trans	58.1	144.6	151.7	39.7	0	0	0	0	119.4
2817	T	37.6	Very low	35.4	Very low	116 Å²	116	110.4 Å²	110.4	71%	0.712	68%	0.677	S	S	*	*			cis	146.5	150.7	38.9	35.7	0	0	0	0	110.3
2818	T	36.3	Very low	35.5	Very low	112.5 Å²	112.5	110.9 Å²	110.9	69%	0.69	68%	0.68	S	S	*	*				127	151.5	58.2	-23.2	0	0	0	0	112.5
2819	T	37.1	Very low	35.5	Very low	118 Å²	118	109.8 Å²	109.8	72%	0.724	67%	0.673	S	S	*	*				124.4	146.3	102.5	1.4	0	0	0	0	115.2
2820	T	37	Very low	35.5	Very low	111 Å²	111	108.4 Å²	108.4	68%	0.681	67%	0.665	S	S	*	*				135.9	122.3	73.8	-10	0	0	0	0	113.7
2821	T	34.1	Very low	35.6	Very low	115.5 Å²	115.5	107.2 Å²	107.2	71%	0.709	66%	0.658	S	S	*	*				57.1	130	93	-16.4	0	0	0	0	113.9
2822	T	34.7	Very low	35.5	Very low	111.5 Å²	111.5	106.1 Å²	106.1	68%	0.684	65%	0.651	S	S	*	*			cis	-160.7	131.9	43.8	-48.6	0	0	0	0	113.2
2823	T	33.1	Very low	35.5	Very low	125 Å²	125	106.1 Å²	106.1	77%	0.767	65%	0.651	S	S	*	*			trans	-53.9	132	150.1	-42.7	0	0	0	0	116.3
2824	T	35	Very low	35.4	Very low	113.5 Å²	113.5	107.3 Å²	107.3	70%	0.696	66%	0.658	S	S	*	*			trans	147.8	111.9	163.7	-20.8	0	0	0	0	110.2
2825	T	33	Very low	35.3	Very low	113.5 Å²	113.5	107.6 Å²	107.6	70%	0.696	66%	0.66	S	S	*	*				69.6	118.2	55.8	-31.1	0	0	0	0	113.8
2826	T	34.6	Very low	35	Very low	117 Å²	117	108.6 Å²	108.6	72%	0.718	67%	0.666	S	S	*	*				132.6	140.4	120.5	-37.9	0	0	0	0	116.9
2827	T	32.9	Very low	34.9	Very low	108.5 Å²	108.5	107.9 Å²	107.9	67%	0.666	66%	0.662	S	S	*	*			trans	49.8	136.1	142.5	-13	0	0	0	0	119.5
2828	T	35	Very low	34.7	Very low	114.5 Å²	114.5	107.6 Å²	107.6	70%	0.702	66%	0.66	S	S	*	*				124.5	131.5	108.1	-10.6	0	0	0	0	116.9
2829	T	34.8	Very low	34.7	Very low	97 Å²	97	108.5 Å²	108.5	60%	0.595	67%	0.666	S	S	*	*				125.3	153.9	63.8	-21.1	0	0	0	0	117.9
2830	T	33.5	Very low	34.5	Very low	84.5 Å²	84.5	108.4 Å²	108.4	52%	0.518	67%	0.665	S	S	.	*			trans	64.2	122.3	144.6	0.9	0	0	0	0	121.3	T2204	T2204-T2830 CarbonylContact O-C 3.54Å
2831	T	36.1	Very low	34.4	Very low	92 Å²	92	108.7 Å²	108.7	56%	0.564	67%	0.667	S	S	*	*				168.5	124.6	86.1	-56.7	0	0	0	0	114.2	T2203 T2204 T2205	T2203-T2831 PolarHBondContact OG1-N 3.47Å; T2204-T2831 CarbonylContact C-O 3.58Å; T2204-T2831 CarbonylContact O-C 3.25Å; T2204-T2831 WeakPolarHBondContact O-CA 3.48Å; T2204-T2831 PolarHBondContact O-N 3.21Å; T2205-T2831 PolarHBondContact OG1-O 3.48Å
2832	T	33.7	Very low	34.4	Very low	93 Å²	93	108.9 Å²	108.9	57%	0.571	67%	0.668	S	S	*	*			trans	20.4	144.7	139.4	-35.3	0	0	0	0	120.9	T2204	T2204-T2832 VanDerWaalsContact OG1-CA 3.26Å; T2204-T2832 WeakPolarHBondContact OG1-CA 2.86Å; T2204-T2832 PolarHBondContact OG1-N 3.31Å
2833	T	34.9	Very low	34.4	Very low	102 Å²	102	107.9 Å²	107.9	63%	0.626	66%	0.662	S	S	*	*				140.1	123.2	123.6	-47.2	0	0	0	0	113.4
2834	T	33.5	Very low	34.5	Very low	123.5 Å²	123.5	107 Å²	107	76%	0.758	66%	0.656	S	S	*	*				171.9	133.9	114.2	-59	0	0	0	0	111.7
2835	T	36.1	Very low	34.5	Very low	105.5 Å²	105.5	107 Å²	107	65%	0.647	66%	0.657	S	S	*	*			trans	146	137.8	175.7	13.1	0	0	0	0	116.9
2836	T	34.2	Very low	34.6	Very low	93 Å²	93	105.9 Å²	105.9	57%	0.571	65%	0.649	S	S	*	*				-79	0	55.1	-56.9	0	0	0	0	115.7
2837	T	34.5	Very low	34.7	Very low	98.5 Å²	98.5	106.1 Å²	106.1	60%	0.604	65%	0.651	S	S	*	*				0	133.6	0	0.4	0	0	0	0	113.4
2838	T	35.1	Very low	34.8	Very low	110 Å²	110	105.2 Å²	105.2	68%	0.675	65%	0.646	S	S	*	*				125.4	140.7	115.4	-54.6	0	0	0	0	112.1	T2840	T2838-T2840 PolarHBondContact O-N 3.29Å; T2838-T2840 PolarHBondContact O-OG1 3.44Å
2839	T	34.9	Very low	34.8	Very low	132 Å²	132	105.8 Å²	105.8	81%	0.81	65%	0.649	S	S	*	*				-108.7	129.6	107.8	-49.4	0	0	0	0	111.8
2840	T	33.9	Very low	34.8	Very low	114.5 Å²	114.5	106.2 Å²	106.2	70%	0.702	65%	0.652	S	S	*	*			trans	-55.8	139.6	160.6	-44.6	0	0	0	0	114.5	T2838	T2838-T2840 PolarHBondContact O-N 3.29Å; T2838-T2840 PolarHBondContact O-OG1 3.44Å
2841	T	34.2	Very low	34.8	Very low	119 Å²	119	107.7 Å²	107.7	73%	0.73	66%	0.661	S	S	*	*			trans	-128.6	117.6	140.9	-56	0	0	0	0	110.4
2842	T	35.2	Very low	34.6	Very low	118 Å²	118	109 Å²	109	72%	0.724	67%	0.669	S	S	*	*				152.9	112.4	118.8	-31.5	0	0	0	0	110.7
2843	T	34.2	Very low	34.6	Very low	92 Å²	92	109.9 Å²	109.9	56%	0.564	67%	0.674	S	S	*	*				63.2	114.7	106.8	-41.2	0	0	0	0	115.6	I2308 T2845	I2308-T2843 HydrophobicContact CG2-CG2 4.49Å; T2843-T2845 PolarHBondContact O-N 2.88Å
2844	T	35.3	Very low	34.5	Very low	105.5 Å²	105.5	110.4 Å²	110.4	65%	0.647	68%	0.677	S	S	*	*				-102.8	121.1	104.7	-48.9	0	0	0	0	112.8
2845	T	34.3	Very low	34.6	Very low	114 Å²	114	109.9 Å²	109.9	70%	0.699	67%	0.674	S	S	*	*			trans	-44.4	134.6	140.4	-41.4	0	0	0	0	115.5	T2843	T2843-T2845 PolarHBondContact O-N 2.88Å
2846	T	34.5	Very low	34.5	Very low	89 Å²	89	110.4 Å²	110.4	55%	0.546	68%	0.677	S	S	.	*			trans	0	130.7	164.8	-5.7	0	0	0	0	114.4	R2316	R2316-T2846 VanDerWaalsContact NH2-CB 3.27Å; R2316-T2846 PolarHBondContact NH2-OG1 2.94Å
2847	T	36.9	Very low	34.5	Very low	121.5 Å²	121.5	110.9 Å²	110.9	75%	0.745	68%	0.68	S	S	*	*				-128.4	131.2	76.7	-36.4	0	0	0	0	110.5
2848	T	35.3	Very low	34.4	Very low	91 Å²	91	111.8 Å²	111.8	56%	0.558	69%	0.686	S	S	*	*			trans	-15.4	133.5	164.3	-4.7	0	0	0	0	116	R2316 T2850	R2316-T2848 PolarHBondContact NE-OG1 3.04Å; R2316-T2848 PolarHBondContact NH2-OG1 3.36Å; T2848-T2850 VanDerWaalsContact CG2-OG1 3.31Å; T2848-T2850 WeakPolarHBondContact CG2-OG1 2.83Å; T2848-T2850 PolarHBondContact O-N 2.82Å; T2848-T2850 PolarHBondContact O-OG1 3.47Å
2849	T	34.6	Very low	34.2	Very low	126.5 Å²	126.5	112.4 Å²	112.4	78%	0.776	69%	0.689	S	S	*	*				-118.7	117.8	-108.2	-16.9	0	0	0	0	109.4	T2851	T2849-T2851 PolarHBondContact O-N 2.77Å
2850	T	35.3	Very low	34.1	Very low	105.5 Å²	105.5	111.9 Å²	111.9	65%	0.647	69%	0.687	S	S	*	*			trans	-5.4	131.2	168	-3.9	0	0	0	0	113.9	T2848 T2852	T2848-T2850 VanDerWaalsContact CG2-OG1 3.31Å; T2848-T2850 WeakPolarHBondContact CG2-OG1 2.83Å; T2848-T2850 PolarHBondContact O-N 2.82Å; T2848-T2850 PolarHBondContact O-OG1 3.47Å; T2850-T2852 PolarHBondContact O-N 3.27Å; T2850-T2852 PolarHBondContact O-OG1 2.91Å
2851	T	33.7	Very low	34.1	Very low	115 Å²	115	111.5 Å²	111.5	71%	0.706	68%	0.684	S	S	*	*				-102.7	132.6	86.1	-31.2	0	0	0	0	109.9	T2849 T2853	T2849-T2851 PolarHBondContact O-N 2.77Å; T2851-T2853 PolarHBondContact O-N 3.1Å
2852	T	33.1	Very low	34	Very low	120 Å²	120	111.7 Å²	111.7	74%	0.736	69%	0.685	S	S	*	*			trans	-23.9	98.7	165.9	-6	0	0	0	0	115.5	T2850 T2854	T2850-T2852 PolarHBondContact O-N 3.27Å; T2850-T2852 PolarHBondContact O-OG1 2.91Å; T2852-T2854 VanDerWaalsContact C-N 3.29Å; T2852-T2854 PolarHBondContact O-N 3.41Å
2853	T	33.2	Very low	34	Very low	112.5 Å²	112.5	111.6 Å²	111.6	69%	0.69	69%	0.685	S	S	*	*				-109.6	172	-95.8	-49.5	0	0	0	0	110.5	T2851 T2855	T2851-T2853 PolarHBondContact O-N 3.1Å; T2853-T2855 VanDerWaalsContact C-N 3.35Å; T2853-T2855 PolarHBondContact O-N 3.24Å; T2853-T2855 PolarHBondContact O-OG1 2.77Å
2854	T	33.5	Very low	33.8	Very low	112.5 Å²	112.5	112.9 Å²	112.9	69%	0.69	69%	0.692	S	S	*	*				-106.6	112.7	-92.7	-46.6	0	0	0	0	112	T2852	T2852-T2854 VanDerWaalsContact C-N 3.29Å; T2852-T2854 PolarHBondContact O-N 3.41Å
2855	T	34.9	Very low	33.6	Very low	113 Å²	113	113.5 Å²	113.5	69%	0.693	70%	0.697	S	S	*	*			trans	-31.4	97.8	171.4	-5.9	0	0	0	0	115.6	T2853 T2857	T2853-T2855 VanDerWaalsContact C-N 3.35Å; T2853-T2855 PolarHBondContact O-N 3.24Å; T2853-T2855 PolarHBondContact O-OG1 2.77Å; T2855-T2857 PolarHBondContact O-N 3.12Å; T2855-T2857 PolarHBondContact O-OG1 2.89Å
2856	T	34.4	Very low	33.4	Very low	114.5 Å²	114.5	114 Å²	114	70%	0.702	70%	0.699	S	S	*	*			trans	13	101.4	157.7	-50.1	0	0	0	0	115.4	T2858	T2856-T2858 PolarHBondContact O-N 2.74Å
2857	T	32.6	Very low	33.3	Very low	104 Å²	104	116.1 Å²	116.1	64%	0.638	71%	0.712	S	S	*	*			trans	-20.6	94.8	152.1	-35.5	0	0	0	0	115.2	K2324 T2855 T2859	K2324-T2857 PolarHBondContact NZ-OG1 2.91Å; T2855-T2857 PolarHBondContact O-N 3.12Å; T2855-T2857 PolarHBondContact O-OG1 2.89Å; T2857-T2859 PolarHBondContact O-N 2.77Å
2858	T	32.4	Very low	33	Very low	118 Å²	118	116 Å²	116	72%	0.724	71%	0.712	S	S	*	*			trans	-28.1	117	147.6	-35	0	0	0	0	114.4	T2856	T2856-T2858 PolarHBondContact O-N 2.74Å
2859	T	32.5	Very low	32.8	Very low	122 Å²	122	118 Å²	118	75%	0.748	72%	0.724	S	S	*	*				-116.8	136	116.5	-54.7	0	0	0	0	112.7	T2857	T2857-T2859 PolarHBondContact O-N 2.77Å
2860	T	32.5	Very low	32.7	Very low	122 Å²	122	118 Å²	118	75%	0.748	72%	0.724	S	S	*	*			trans	-140.4	106.4	161	-48.2	0	0	0	0	111.7
2861	T	34.2	Very low	32.4	Very low	105.5 Å²	105.5	119.1 Å²	119.1	65%	0.647	73%	0.731	S	S	*	*			trans	29.2	114.5	142	-41.7	0	0	0	0	119.7	T2863	T2861-T2863 PolarHBondContact O-N 3.48Å
2862	T	31.7	Very low	32.2	Very low	123.5 Å²	123.5	119.4 Å²	119.4	76%	0.758	73%	0.733	S	S	*	*			trans	-19.4	129.3	140.1	-30	0	0	0	0	114.1
2863	T	34.2	Very low	32.2	Very low	117 Å²	117	119.9 Å²	119.9	72%	0.718	74%	0.735	S	S	*	*				-157.7	121.2	106.6	-57.4	0	0	0	0	111.2	T2861 T2865	T2861-T2863 PolarHBondContact O-N 3.48Å; T2863-T2865 PolarHBondContact O-N 2.92Å
2864	T	29.8	Very low	32.2	Very low	117.5 Å²	117.5	120.3 Å²	120.3	72%	0.721	74%	0.738	S	S	*	*			trans	-17.7	131.7	164.1	-42.1	0	0	0	0	118
2865	T	32	Very low	32.5	Very low	120 Å²	120	120.9 Å²	120.9	74%	0.736	74%	0.741	S	S	*	*			trans	155	103.6	154.5	-19.6	0	0	0	0	116.2	T2863	T2863-T2865 PolarHBondContact O-N 2.92Å
2866	T	29.8	Very low	32.7	Very low	123 Å²	123	120 Å²	120	76%	0.755	74%	0.738	S	S	*	*			trans	-15.3	120.7	154.6	5.3	0	0	0	0	117.5
2867	T	32.5	Very low	33	Very low	133.5 Å²	133.5	121.1 Å²	121.1	82%	0.819	74%	0.739	S	S	*	*			trans	-146.2	120.6	148.1	-44.7	0	0	0	0	112.1
2868	T	30.9	Very low	33.4	Very low	119.5 Å²	119.5	123.2 Å²	123.2	73%	0.733	75%	0.745	S	S	*	*			trans	-28.3	115.5	163.2	-40.8	0	0	0	0	116.8
2869	T	30.7	Very low	33.8	Very low	132.5 Å²	132.5	123.7 Å²	123.7	81%	0.813	74%	0.743	S	S	*	*			trans	117.6	133	132.9	-12.8	0	0	0	0	116.9
2870	T	31.6	Very low	34.3	Very low	127.5 Å²	127.5	125.1 Å²	125.1	78%	0.782	74%	0.736	S	S	*	*			trans	-133.7	143.4	151.2	26.6	0	0	0	0	112.9
2871	T	29.5	Very low	34.6	Very low	128.5 Å²	128.5	126.7 Å²	126.7	79%	0.788	73%	0.732	S	S	*	*			trans	-99.1	144.8	149.8	30	0	0	0	0	114.8
2872	T	29.8	Very low	34.9	Very low	121.5 Å²	121.5	124.9 Å²	124.9	75%	0.745	72%	0.724	S	S	*	*				-106.6	145.4	123.1	43.3	0	0	0	0	116.8
2873	T	32.7	Very low	35.3	Very low	129.5 Å²	129.5	123.5 Å²	123.5	79%	0.794	71%	0.712	S	S	*	*			trans	140.4	137.2	142.3	44.8	0	0	0	0	115.9
2874	T	34.4	Very low	35.7	Very low	122 Å²	122	125.8 Å²	125.8	75%	0.748	71%	0.708	S	S	*	*			trans	147.6	155.4	163.9	56.3	0	0	0	0	116.9
2875	T	38.9	Very low	36	Very low	123.5 Å²	123.5	124 Å²	124	76%	0.758	70%	0.699	S	S	*	*				147.5	156.1	98.6	38.9	0	0	0	0	115.7
2876	P	38.4	Very low	36.2	Very low	94 Å²	94	121.7 Å²	121.7	61%	0.61	69%	0.687	S	S	*	*				-121.3	62.8	-78.1	37.8	-21.9	0	0	0	115.2	L2878 L2879	P2876-L2878 VanDerWaalsContact C-N 3.26Å; P2876-L2878 PolarHBondContact O-N 2.61Å; P2876-L2878 VanDerWaalsContact O-N 3.12Å; P2876-L2879 PolarHBondContact O-N 3.41Å
2877	L	41.1	Very low	36.6	Very low	139.5 Å²	139.5	121.4 Å²	121.4	73%	0.73	68%	0.68	S	S	*	*	H	α-helix	trans	-101.4	-15.1	-178.1	-99.6	168.6	0	0	0	117	F2881	L2877-F2881 PolarHBondContact O-N 3.32Å
2878	L	42.1	Very low	36.8	Very low	147.5 Å²	147.5	117.5 Å²	117.5	77%	0.772	66%	0.659	S	S	*	*	S	Bend	trans	-102.5	-27.3	-178.8	-70.9	173	0	0	0	114.4	P2876 F2881 S2882	P2876-L2878 VanDerWaalsContact C-N 3.26Å; P2876-L2878 PolarHBondContact O-N 2.61Å; P2876-L2878 VanDerWaalsContact O-N 3.12Å; L2878-F2881 PolarHBondContact O-N 3.05Å; L2878-S2882 VanDerWaalsContact O-CB 3.28Å; L2878-S2882 WeakPolarHBondContact O-CB 3.17Å; L2878-S2882 PolarHBondContact O-N 3.47Å
2879	L	40.7	Very low	37	Very low	128.5 Å²	128.5	114.8 Å²	114.8	67%	0.673	65%	0.648	S	S	*	*	H	α-helix	trans	-71.6	-40.3	173.1	-73.8	172.8	0	0	0	111.3	P2876 F2881 S2882 L2883	P2876-L2879 PolarHBondContact O-N 3.41Å; L2879-F2881 VanDerWaalsContact C-N 3.33Å; L2879-F2881 PolarHBondContact O-N 3.05Å; L2879-S2882 CarbonylContact O-C 3.55Å; L2879-S2882 PolarHBondContact O-N 2.86Å; L2879-S2882 VanDerWaalsContact O-N 3.13Å; L2879-L2883 HydrophobicContact CB-CD1 4.45Å; L2879-L2883 HydrophobicContact CD2-CD1 4.41Å; L2879-L2883 VanDerWaalsContact O-CD1 3.28Å; L2879-L2883 WeakPolarHBondContact O-CD1 3.45Å; L2879-L2883 PolarHBondContact O-N 3.39Å
2880	Y	42.3	Very low	37.2	Very low	152 Å²	152	117 Å²	117	60%	0.596	65%	0.647	S	S	*	*	H	α-helix	trans	-56.7	-42.4	172.5	-112.7	-96.3	0	0	0	112.1	S2882 Y2884	Y2880-S2882 PolarHBondContact O-N 2.63Å; Y2880-Y2884 AromaticContact CD1-CD2 3.97Å; Y2880-Y2884 HydrophobicContact CD1-CD2 4.14Å; Y2880-Y2884 HydrophobicContact CD1-CE2 4.11Å; Y2880-Y2884 HydrophobicContact CE1-CD2 4.19Å; Y2880-Y2884 AromaticContact CE1-CE2 3.8Å; Y2880-Y2884 HydrophobicContact CE1-CE2 4.09Å; Y2880-Y2884 WeakPolarHBondContact O-CB 3.35Å; Y2880-Y2884 PolarHBondContact O-N 2.87Å
2881	F	38.5	Very low	37.2	Very low	155.5 Å²	155.5	115.2 Å²	115.2	68%	0.682	64%	0.639	S	S	*	*	H	α-helix	trans	-69.9	-32.2	176	-103.3	-85.1	0	0	0	113.4	L2877 L2878 L2879 C2885	L2877-F2881 PolarHBondContact O-N 3.32Å; L2878-F2881 PolarHBondContact O-N 3.05Å; L2879-F2881 VanDerWaalsContact C-N 3.33Å; L2879-F2881 PolarHBondContact O-N 3.05Å; F2881-C2885 WeakPolarHBondContact O-CB 3.37Å; F2881-C2885 PolarHBondContact O-N 2.78Å
2882	S	40.3	Very low	37.1	Very low	67.5 Å²	67.5	117 Å²	117	47%	0.472	64%	0.636	S	S	.	*	H	α-helix	trans	-76.4	-37.7	177.1	-164.3	0	0	0	0	112.5	L2878 L2879 Y2880 C2885 C2886	L2878-S2882 VanDerWaalsContact O-CB 3.28Å; L2878-S2882 WeakPolarHBondContact O-CB 3.17Å; L2878-S2882 PolarHBondContact O-N 3.47Å; L2879-S2882 CarbonylContact O-C 3.55Å; L2879-S2882 PolarHBondContact O-N 2.86Å; L2879-S2882 VanDerWaalsContact O-N 3.13Å; Y2880-S2882 PolarHBondContact O-N 2.63Å; S2882-C2885 WeakPolarHBondContact O-CB 3.49Å; S2882-C2885 PolarHBondContact O-N 3.39Å; S2882-C2886 VanDerWaalsContact O-CB 3.27Å; S2882-C2886 WeakPolarHBondContact O-CB 3.4Å; S2882-C2886 PolarHBondContact O-N 3.34Å; S2882-C2886 PolarHBondContact O-SG 3.26Å
2883	L	40.6	Very low	37.1	Very low	94.5 Å²	94.5	119.5 Å²	119.5	50%	0.495	64%	0.636	S	S	.	*	H	α-helix	trans	-70.4	-45.3	174.6	-111.4	77.2	0	0	0	111.1	L2879 C2885 C2886 L2887	L2879-L2883 HydrophobicContact CB-CD1 4.45Å; L2879-L2883 HydrophobicContact CD2-CD1 4.41Å; L2879-L2883 VanDerWaalsContact O-CD1 3.28Å; L2879-L2883 WeakPolarHBondContact O-CD1 3.45Å; L2879-L2883 PolarHBondContact O-N 3.39Å; L2883-C2885 VanDerWaalsContact C-N 3.27Å; L2883-C2885 PolarHBondContact O-N 3.13Å; L2883-C2886 PolarHBondContact O-N 3.25Å; L2883-C2886 VanDerWaalsContact O-N 3.1Å; L2883-L2887 HydrophobicContact CB-CD1 4.45Å; L2883-L2887 HydrophobicContact CG-CD1 4.19Å; L2883-L2887 WeakPolarHBondContact O-CB 3.47Å; L2883-L2887 VanDerWaalsContact O-CD1 3.26Å; L2883-L2887 WeakPolarHBondContact O-CD1 3.31Å; L2883-L2887 PolarHBondContact O-N 2.69Å
2884	Y	43.6	Very low	36.8	Very low	165 Å²	165	118.7 Å²	118.7	65%	0.647	64%	0.635	S	S	*	*	H	α-helix	trans	-61.7	-33.6	171.5	-96.2	-99.1	0	0	0	112.5	Y2880 S2888	Y2880-Y2884 AromaticContact CD1-CD2 3.97Å; Y2880-Y2884 HydrophobicContact CD1-CD2 4.14Å; Y2880-Y2884 HydrophobicContact CD1-CE2 4.11Å; Y2880-Y2884 HydrophobicContact CE1-CD2 4.19Å; Y2880-Y2884 AromaticContact CE1-CE2 3.8Å; Y2880-Y2884 HydrophobicContact CE1-CE2 4.09Å; Y2880-Y2884 WeakPolarHBondContact O-CB 3.35Å; Y2880-Y2884 PolarHBondContact O-N 2.87Å; Y2884-S2888 WeakPolarHBondContact O-CB 3.4Å; Y2884-S2888 PolarHBondContact O-N 2.81Å; Y2884-S2888 PolarHBondContact O-OG 3.26Å
2885	C	35	Very low	36.6	Very low	78.5 Å²	78.5	119.4 Å²	119.4	53%	0.53	63%	0.632	S	S	.	*	H	α-helix	trans	-69.3	-38.2	174	-164.5	0	0	0	0	112	F2881 S2882 L2883 S2888 A2889	F2881-C2885 WeakPolarHBondContact O-CB 3.37Å; F2881-C2885 PolarHBondContact O-N 2.78Å; S2882-C2885 WeakPolarHBondContact O-CB 3.49Å; S2882-C2885 PolarHBondContact O-N 3.39Å; L2883-C2885 VanDerWaalsContact C-N 3.27Å; L2883-C2885 PolarHBondContact O-N 3.13Å; C2885-S2888 PolarHBondContact O-OG 2.91Å; C2885-A2889 WeakPolarHBondContact O-CB 3.33Å; C2885-A2889 PolarHBondContact O-N 2.98Å
2886	C	35.9	Very low	36	Very low	71.5 Å²	71.5	120.8 Å²	120.8	48%	0.483	64%	0.635	S	S	.	*	H	α-helix	trans	-71.5	-47.2	177.1	-69.8	0	0	0	0	112.3	S2882 L2883 S2888 A2889 F2890	S2882-C2886 VanDerWaalsContact O-CB 3.27Å; S2882-C2886 WeakPolarHBondContact O-CB 3.4Å; S2882-C2886 PolarHBondContact O-N 3.34Å; S2882-C2886 PolarHBondContact O-SG 3.26Å; L2883-C2886 PolarHBondContact O-N 3.25Å; L2883-C2886 VanDerWaalsContact O-N 3.1Å; C2886-S2888 VanDerWaalsContact C-N 3.32Å; C2886-S2888 PolarHBondContact O-N 2.87Å; C2886-A2889 PolarHBondContact O-N 2.9Å; C2886-F2890 WeakPolarHBondContact O-CD2 3.44Å; C2886-F2890 PolarHBondContact O-N 3.05Å
2887	L	38.5	Very low	35.7	Very low	117.5 Å²	117.5	124.2 Å²	124.2	62%	0.615	65%	0.647	S	S	*	*	H	α-helix	trans	-64.8	-36.9	176.8	-83.9	75.4	0	0	0	111.6	L2883 C2891	L2883-L2887 HydrophobicContact CB-CD1 4.45Å; L2883-L2887 HydrophobicContact CG-CD1 4.19Å; L2883-L2887 WeakPolarHBondContact O-CB 3.47Å; L2883-L2887 VanDerWaalsContact O-CD1 3.26Å; L2883-L2887 WeakPolarHBondContact O-CD1 3.31Å; L2883-L2887 PolarHBondContact O-N 2.69Å; L2887-C2891 WeakPolarHBondContact O-CB 3.26Å; L2887-C2891 PolarHBondContact O-N 2.98Å; L2887-C2891 PolarHBondContact O-SG 3.44Å
2888	S	38.1	Very low	35.1	Very low	51.5 Å²	51.5	125 Å²	125	36%	0.36	65%	0.653	S	S	.	*	H	α-helix	trans	-74.6	-32	173.2	63.9	0	0	0	0	113.6	Y2884 C2885 C2886 F2890 C2891 F2892	Y2884-S2888 WeakPolarHBondContact O-CB 3.4Å; Y2884-S2888 PolarHBondContact O-N 2.81Å; Y2884-S2888 PolarHBondContact O-OG 3.26Å; C2885-S2888 PolarHBondContact O-OG 2.91Å; C2886-S2888 VanDerWaalsContact C-N 3.32Å; C2886-S2888 PolarHBondContact O-N 2.87Å; S2888-F2890 VanDerWaalsContact C-N 3.31Å; S2888-F2890 PolarHBondContact O-N 3.07Å; S2888-C2891 PolarHBondContact O-N 2.93Å; S2888-F2892 WeakPolarHBondContact O-CB 3.29Å; S2888-F2892 WeakPolarHBondContact O-CD2 3.27Å; S2888-F2892 PolarHBondContact O-N 3.09Å
2889	A	35.1	Very low	34.6	Very low	62.5 Å²	62.5	123.3 Å²	123.3	52%	0.517	64%	0.644	S	S	.	*	H	α-helix	trans	-66.8	-35	176.2	0	0	0	0	0	113	C2885 C2886 F2892 K2893	C2885-A2889 WeakPolarHBondContact O-CB 3.33Å; C2885-A2889 PolarHBondContact O-N 2.98Å; C2886-A2889 PolarHBondContact O-N 2.9Å; A2889-F2892 PolarHBondContact O-N 2.8Å; A2889-K2893 PolarHBondContact O-N 3.19Å
2890	F	33.2	Very low	34.1	Very low	178.5 Å²	178.5	126.1 Å²	126.1	78%	0.783	65%	0.646	S	S	*	*	H	α-helix	trans	-72.6	-39.5	171.2	-102.2	-95	0	0	0	111.9	C2886 S2888 F2892 K2893	C2886-F2890 WeakPolarHBondContact O-CD2 3.44Å; C2886-F2890 PolarHBondContact O-N 3.05Å; S2888-F2890 VanDerWaalsContact C-N 3.31Å; S2888-F2890 PolarHBondContact O-N 3.07Å; F2890-F2892 VanDerWaalsContact C-N 3.29Å; F2890-F2892 PolarHBondContact O-N 3.41Å; F2890-K2893 PolarHBondContact O-N 2.88Å
2891	C	32	Very low	33.5	Very low	90.5 Å²	90.5	128.9 Å²	128.9	61%	0.611	66%	0.655	S	S	*	*	H	α-helix	trans	-71	-26.2	177	-69.5	0	0	0	0	114.7	L2887 S2888 K2893 C2894	L2887-C2891 WeakPolarHBondContact O-CB 3.26Å; L2887-C2891 PolarHBondContact O-N 2.98Å; L2887-C2891 PolarHBondContact O-SG 3.44Å; S2888-C2891 PolarHBondContact O-N 2.93Å; C2891-K2893 VanDerWaalsContact C-N 3.28Å; C2891-K2893 PolarHBondContact O-N 3.14Å; C2891-C2894 PolarHBondContact O-N 3.12Å
2892	F	28.2	Very low	33	Very low	165.5 Å²	165.5	127 Å²	127	73%	0.726	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-1.2	-178.2	-99.6	-91.8	0	0	0	115.3	S2888 A2889 F2890 C2894	S2888-F2892 WeakPolarHBondContact O-CB 3.29Å; S2888-F2892 WeakPolarHBondContact O-CD2 3.27Å; S2888-F2892 PolarHBondContact O-N 3.09Å; A2889-F2892 PolarHBondContact O-N 2.8Å; F2890-F2892 VanDerWaalsContact C-N 3.29Å; F2890-F2892 PolarHBondContact O-N 3.41Å; F2892-C2894 VanDerWaalsContact C-N 3.34Å
2893	K	29.7	Very low	32.5	Very low	174 Å²	174	130 Å²	130	76%	0.757	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-20.1	175.3	-157.7	69.1	177.2	-173.4	0	113.5	A2889 F2890 C2891 I2895	A2889-K2893 PolarHBondContact O-N 3.19Å; F2890-K2893 PolarHBondContact O-N 2.88Å; C2891-K2893 VanDerWaalsContact C-N 3.28Å; C2891-K2893 PolarHBondContact O-N 3.14Å; K2893-I2895 VanDerWaalsContact C-N 3.33Å; K2893-I2895 PolarHBondContact O-N 3.23Å
2894	C	26.7	Very low	31.9	Very low	113 Å²	113	130.7 Å²	130.7	76%	0.764	68%	0.676	S	S	*	*	S	Bend	trans	-93	2.1	-169.6	-59.3	0	0	0	0	115.7	C2891 F2892	C2891-C2894 PolarHBondContact O-N 3.12Å; F2892-C2894 VanDerWaalsContact C-N 3.34Å
2895	I	29.7	Very low	31.2	Very low	136 Å²	136	131.2 Å²	131.2	70%	0.697	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	33.6	-176.2	-57.6	178.1	0	0	0	112.1	K2893	K2893-I2895 VanDerWaalsContact C-N 3.33Å; K2893-I2895 PolarHBondContact O-N 3.23Å
2896	N	27.1	Very low	30.8	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	70%	0.699	S	S	*	*	S	Bend	trans	-163.7	63.3	167.4	-120.1	-52.8	0	0	0	114.3
2897	L	30.5	Very low	30.5	Very low	164.5 Å²	164.5	138.7 Å²	138.7	86%	0.861	71%	0.709	S	S	*	*			trans	-145.1	109.8	157.9	-95.9	173.7	0	0	0	108.6
2898	N	30	Very low	29.9	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	71%	0.712	S	S	*	*			trans	-116	108.5	179.1	-146.1	15.4	0	0	0	110.5
2899	D	31.2	Very low	29.3	Very low	111.5 Å²	111.5	146 Å²	146	60%	0.596	73%	0.732	S	S	*	*			trans	134.6	119.1	157.8	-127.8	6.3	0	0	0	113.3
2900	R	29	Very low	28.9	Very low	187.5 Å²	187.5	146.5 Å²	146.5	71%	0.708	73%	0.73	S	S	*	*				140.6	132.1	71.3	-116.3	170.4	-104	-161.7	5.2	116.1
2901	R	30.5	Very low	28.5	Very low	211 Å²	211	147.2 Å²	147.2	80%	0.796	73%	0.734	S	S	*	*			trans	85.1	127.9	150.5	-57.8	176.2	-169	168.9	2.7	117.8
2902	N	28.2	Very low	28.4	Very low	116 Å²	116	148.1 Å²	148.1	62%	0.62	73%	0.732	S	S	*	*			trans	57.1	121.3	142.3	-62.7	48.7	0	0	0	118.9
2903	D	29.9	Very low	28.7	Very low	131 Å²	131	144.5 Å²	144.5	70%	0.701	72%	0.719	S	S	*	*				142.7	143.5	95.5	-64.4	-37.9	0	0	0	117.9	I2574	I2574-D2903 WeakPolarHBondContact CD1-OD1 3.2Å; I2574-D2903 WeakPolarHBondContact CD1-OD2 3.29Å
2904	S	28.6	Very low	29.7	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	71%	0.711	S	S	*	*			trans	-21.1	114.9	167.7	-166.6	0	0	0	0	116.6
2905	M	29	Very low	31.4	Very low	174.5 Å²	174.5	138.3 Å²	138.3	86%	0.86	68%	0.682	S	S	*	*			trans	-137.9	118.8	133.9	-89.9	-167.6	-72.1	0	0	108.5	I2907	M2905-I2907 HydrophobicContact CB-CG1 4.5Å; M2905-I2907 PolarHBondContact O-N 3.39Å; M2905-I2907 VanDerWaalsContact O-N 3.1Å
2906	H	25.8	Very low	33.8	Very low	171.5 Å²	171.5	132 Å²	132	79%	0.794	65%	0.65	S	S	*	*			trans	-65.8	114.5	165.7	-108.7	-114.7	0	0	0	108	E2908	H2906-E2908 PolarHBondContact O-N 3.05Å
2907	I	28.6	Very low	36.4	Very low	135.5 Å²	135.5	129 Å²	129	70%	0.695	63%	0.631	S	S	*	*			trans	-102.2	83.8	164.8	-57.4	-179.1	0	0	0	106.4	M2905 F2909	M2905-I2907 HydrophobicContact CB-CG1 4.5Å; M2905-I2907 PolarHBondContact O-N 3.39Å; M2905-I2907 VanDerWaalsContact O-N 3.1Å; I2907-F2909 HydrophobicContact CG2-CD2 3.81Å; I2907-F2909 HydrophobicContact CG2-CE2 4.17Å; I2907-F2909 PolarHBondContact O-N 3.1Å
2908	E	25.9	Very low	38.9	Very low	147.5 Å²	147.5	126.4 Å²	126.4	69%	0.689	62%	0.616	S	S	*	*			trans	-61.6	101.2	155.1	-81.2	-120.5	135	0	0	107.8	H2906 C2910	H2906-E2908 PolarHBondContact O-N 3.05Å; E2908-C2910 PolarHBondContact O-N 2.92Å; E2908-C2910 PolarHBondContact OE2-SG 3.38Å
2909	F	26	Very low	41.5	Very low	176.5 Å²	176.5	121 Å²	121	77%	0.774	60%	0.599	S	S	*	*			trans	-101.4	91.1	157.7	-112	-81.8	0	0	0	105.8	I2907 F2911	I2907-F2909 HydrophobicContact CG2-CD2 3.81Å; I2907-F2909 HydrophobicContact CG2-CE2 4.17Å; I2907-F2909 PolarHBondContact O-N 3.1Å; F2909-F2911 VanDerWaalsContact C-N 3.26Å; F2909-F2911 PolarHBondContact O-N 3Å
2910	C	26.5	Very low	44.2	Very low	71.5 Å²	71.5	117.1 Å²	117.1	48%	0.483	58%	0.577	S	S	.	*			trans	-62.2	103.8	-168.7	-102.8	0	0	0	0	110.5	E2908 I2912	E2908-C2910 PolarHBondContact O-N 2.92Å; E2908-C2910 PolarHBondContact OE2-SG 3.38Å; C2910-I2912 HydrophobicContact CB-CB 4.21Å; C2910-I2912 HydrophobicContact CB-CD1 4.25Å; C2910-I2912 HydrophobicContact CB-CG1 4.03Å; C2910-I2912 PolarHBondContact O-N 3.02Å; C2910-I2912 VanDerWaalsContact O-N 3.1Å
2911	F	25.8	Very low	47.2	Very low	193 Å²	193	108.3 Å²	108.3	85%	0.846	55%	0.545	S	S	*	.			trans	-75	54.5	169.1	-106.4	-91.1	0	0	0	109.9	F2909 L2913	F2909-F2911 VanDerWaalsContact C-N 3.26Å; F2909-F2911 PolarHBondContact O-N 3Å; F2911-L2913 HydrophobicContact CD1-CD1 4.43Å; F2911-L2913 PolarHBondContact O-N 3.28Å
2912	I	29	Very low	50	Low	111 Å²	111	98.3 Å²	98.3	57%	0.569	51%	0.507	S	S	*	.			trans	-90.1	112.1	-178.7	-48.8	179.7	0	0	0	109	C2910 K2914	C2910-I2912 HydrophobicContact CB-CB 4.21Å; C2910-I2912 HydrophobicContact CB-CD1 4.25Å; C2910-I2912 HydrophobicContact CB-CG1 4.03Å; C2910-I2912 PolarHBondContact O-N 3.02Å; C2910-I2912 VanDerWaalsContact O-N 3.1Å; I2912-K2914 VanDerWaalsContact C-N 3.34Å
2913	L	34.6	Very low	53	Low	89.5 Å²	89.5	92.8 Å²	92.8	47%	0.469	48%	0.477	S	S	.	.			trans	-16.8	46.5	166.1	-55.9	178.7	0	0	0	112.3	K2484 F2911 S2915 A2955	K2484-L2913 HydrophobicContact CD-CB 4.26Å; K2484-L2913 VanDerWaalsContact CE-O 3.27Å; K2484-L2913 WeakPolarHBondContact CE-O 3.27Å; F2911-L2913 HydrophobicContact CD1-CD1 4.43Å; F2911-L2913 PolarHBondContact O-N 3.28Å; L2913-S2915 PolarHBondContact O-N 3.26Å; L2913-A2955 HydrophobicContact CD1-CB 3.8Å; L2913-A2955 HydrophobicContact CD2-CB 4.37Å
2914	K	50.5	Low	56	Low	133 Å²	133	87 Å²	87	58%	0.578	45%	0.446	S	S	*	.	S	Bend	trans	-83.2	30.3	157.3	-100.3	-163.1	170.6	-166.2	0	109.9	K2484 I2912 N3239	K2484-K2914 PolarHBondContact NZ-O 2.79Å; K2484-K2914 VanDerWaalsContact NZ-O 3.17Å; I2912-K2914 VanDerWaalsContact C-N 3.34Å; K2914-N3239 PolarHBondContact NZ-ND2 3.17Å; K2914-N3239 PolarHBondContact NZ-OD1 2.89Å
2915	S	64.1	Low	58.9	Low	24 Å²	24	82 Å²	82	17%	0.168	41%	0.41	C	S	.	.			trans	-50.7	159.7	173.3	-47.1	0	0	0	0	114.3	K2484 L2533 H2534 L2913 H2917	K2484-S2915 PolarHBondContact NZ-O 2.95Å; L2533-S2915 PolarHBondContact O-OG 3.42Å; L2533-S2915 VanDerWaalsContact O-OG 3.05Å; H2534-S2915 WeakPolarHBondContact CD2-CA 3.29Å; H2534-S2915 WeakPolarHBondContact CD2-CB 3.2Å; H2534-S2915 PolarHBondContact CD2-OG 2.89Å; H2534-S2915 WeakPolarHBondContact ND1-CB 3.28Å; H2534-S2915 PolarHBondContact ND1-OG 3.3Å; H2534-S2915 VanDerWaalsContact NE2-CA 3.29Å; H2534-S2915 WeakPolarHBondContact NE2-CA 3.46Å; H2534-S2915 VanDerWaalsContact NE2-CB 3.33Å; H2534-S2915 WeakPolarHBondContact NE2-CB 3.49Å; L2913-S2915 PolarHBondContact O-N 3.26Å; S2915-H2917 WeakPolarHBondContact CB-NE2 2.99Å; S2915-H2917 PolarHBondContact O-CE1 2.95Å; S2915-H2917 PolarHBondContact O-ND1 2.81Å
2916	I	78.8	Confident	61.8	Low	3.5 Å²	3.5	76.1 Å²	76.1	2%	0.018	38%	0.383	C	S	.	.			trans	-101.1	132.8	167.4	-166.6	179.8	0	0	0	108.5	L2486 M2504 V2521 I2524 A2530 L2533 H2534 D2920 L2951 V2953	L2486-I2916 HydrophobicContact CD1-CB 4.14Å; L2486-I2916 HydrophobicContact CD1-CD1 4.26Å; L2486-I2916 HydrophobicContact CD1-CG1 4.42Å; M2504-I2916 HydrophobicContact CE-CD1 3.64Å; M2504-I2916 HydrophobicContact CE-CG2 4.05Å; M2504-I2916 HydrophobicContact SD-CD1 4.18Å; V2521-I2916 HydrophobicContact CG2-CD1 3.76Å; V2521-I2916 HydrophobicContact CG2-CG1 4.2Å; I2524-I2916 HydrophobicContact CD1-CG2 4.09Å; I2524-I2916 WeakPolarHBondContact CD1-O 3.26Å; A2530-I2916 HydrophobicContact CB-CG2 4.47Å; L2533-I2916 HydrophobicContact CD1-CG2 4.25Å; H2534-I2916 PolarHBondContact CE1-N 3.45Å; H2534-I2916 PolarHBondContact CE1-O 2.81Å; H2534-I2916 PolarHBondContact NE2-N 3.13Å; H2534-I2916 VanDerWaalsContact NE2-N 3.11Å; H2534-I2916 PolarHBondContact NE2-O 2.92Å; I2916-D2920 VanDerWaalsContact CA-OD2 3.27Å; I2916-D2920 WeakPolarHBondContact CA-OD2 3.2Å; I2916-D2920 HydrophobicContact CG1-CB 4.04Å; I2916-D2920 VanDerWaalsContact CG1-OD2 3.29Å; I2916-D2920 WeakPolarHBondContact CG1-OD2 3.34Å; I2916-L2951 HydrophobicContact CD1-CD1 4.18Å; I2916-V2953 HydrophobicContact CD1-CG2 4.14Å; I2916-V2953 HydrophobicContact CG1-CG1 4.45Å
2917	H	81.5	Confident	64.7	Low	90.5 Å²	90.5	70.6 Å²	70.6	42%	0.419	36%	0.363	S	S	.	.			trans	-113.2	164.5	-175.3	-52.9	88.5	0	0	0	112.1	V2521 S2915 G2919 D2920	V2521-H2917 WeakPolarHBondContact CB-O 3.34Å; S2915-H2917 WeakPolarHBondContact CB-NE2 2.99Å; S2915-H2917 PolarHBondContact O-CE1 2.95Å; S2915-H2917 PolarHBondContact O-ND1 2.81Å; H2917-G2919 PolarHBondContact O-N 2.77Å; H2917-D2920 WeakPolarHBondContact CB-OD1 3.23Å; H2917-D2920 IonicContact CG-OD1 2.75Å; H2917-D2920 PolarHBondContact N-OD1 3.35Å; H2917-D2920 PolarHBondContact N-OD2 2.76Å; H2917-D2920 IonicContact ND1-OD1 3.13Å; H2917-D2920 PolarHBondContact ND1-OD1 3.15Å; H2917-D2920 IonicContact ND1-OD2 2.69Å; H2917-D2920 WeakPolarHBondContact O-CB 3.46Å; H2917-D2920 PolarHBondContact O-N 2.95Å
2918	I	83.1	Confident	67.6	Low	109 Å²	109	67 Å²	67	56%	0.559	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	131.1	166.2	-64.1	172.3	0	0	0	107.9	V2521 E2522 I2524	V2521-I2918 HydrophobicContact CG1-CG1 4.46Å; E2522-I2918 WeakPolarHBondContact O-CG2 3.26Å; I2524-I2918 HydrophobicContact CB-CG1 4.41Å; I2524-I2918 HydrophobicContact CD1-CG1 4.21Å; I2524-I2918 HydrophobicContact CG1-CG1 3.99Å
2919	G	85.2	Confident	70.8	Confident	45.5 Å²	45.5	62.5 Å²	62.5	47%	0.469	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	-19.6	-171.3	0	0	0	0	0	114.7	V2521 H2917 E2921	V2521-G2919 PolarHBondContact O-N 3.04Å; H2917-G2919 PolarHBondContact O-N 2.77Å; G2919-E2921 PolarHBondContact O-N 2.98Å
2920	D	88.1	Confident	73.9	Confident	28 Å²	28	54.1 Å²	54.1	15%	0.15	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-59.3	133.3	178.6	-76.2	10.6	0	0	0	111.1	F2520 V2521 I2916 H2917 V2953	F2520-D2920 WeakPolarHBondContact CA-O 3.48Å; V2521-D2920 HydrophobicContact CG2-CB 4.28Å; V2521-D2920 PolarHBondContact N-O 3.09Å; I2916-D2920 VanDerWaalsContact CA-OD2 3.27Å; I2916-D2920 WeakPolarHBondContact CA-OD2 3.2Å; I2916-D2920 HydrophobicContact CG1-CB 4.04Å; I2916-D2920 VanDerWaalsContact CG1-OD2 3.29Å; I2916-D2920 WeakPolarHBondContact CG1-OD2 3.34Å; H2917-D2920 WeakPolarHBondContact CB-OD1 3.23Å; H2917-D2920 IonicContact CG-OD1 2.75Å; H2917-D2920 PolarHBondContact N-OD1 3.35Å; H2917-D2920 PolarHBondContact N-OD2 2.76Å; H2917-D2920 IonicContact ND1-OD1 3.13Å; H2917-D2920 PolarHBondContact ND1-OD1 3.15Å; H2917-D2920 IonicContact ND1-OD2 2.69Å; H2917-D2920 WeakPolarHBondContact O-CB 3.46Å; H2917-D2920 PolarHBondContact O-N 2.95Å; D2920-V2953 HydrophobicContact CB-CG1 3.83Å
2921	E	90.6	Very high	76.9	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.019	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.9	179	-170.8	-179.3	-161.1	0	0	112.3	R2512 A2519 F2520 G2919 L2923 V2953 R2954	R2512-E2921 VanDerWaalsContact CD-OE1 3.26Å; R2512-E2921 WeakPolarHBondContact CD-OE1 3.4Å; R2512-E2921 VanDerWaalsContact CG-OE1 3.26Å; R2512-E2921 WeakPolarHBondContact CG-OE1 3.43Å; R2512-E2921 IonicContact CZ-OE1 3.17Å; R2512-E2921 IonicContact CZ-OE2 3.18Å; R2512-E2921 IonicContact NE-OE1 2.66Å; R2512-E2921 VanDerWaalsContact NH1-CD 3.26Å; R2512-E2921 IonicContact NH1-OE1 3.4Å; R2512-E2921 PolarHBondContact NH1-OE1 3.32Å; R2512-E2921 IonicContact NH1-OE2 3.08Å; R2512-E2921 PolarHBondContact NH1-OE2 3.1Å; R2512-E2921 VanDerWaalsContact NH1-OE2 3.12Å; A2519-E2921 CarbonylContact O-C 3.43Å; A2519-E2921 WeakPolarHBondContact O-CA 3.27Å; A2519-E2921 WeakPolarHBondContact O-CG 3.24Å; F2520-E2921 HydrophobicContact CD1-CB 3.77Å; F2520-E2921 HydrophobicContact CD1-CG 3.99Å; F2520-E2921 HydrophobicContact CE1-CB 3.6Å; F2520-E2921 HydrophobicContact CE1-CG 3.63Å; F2520-E2921 HydrophobicContact CE2-CG 4.45Å; F2520-E2921 HydrophobicContact CZ-CB 4.35Å; F2520-E2921 HydrophobicContact CZ-CG 3.88Å; F2520-E2921 WeakPolarHBondContact CZ-OE1 3.05Å; G2919-E2921 PolarHBondContact O-N 2.98Å; E2921-L2923 HydrophobicContact CG-CD2 4.36Å; E2921-V2953 CarbonylContact O-C 3.53Å; E2921-V2953 VanDerWaalsContact O-CA 3.28Å; E2921-V2953 WeakPolarHBondContact O-CA 3.45Å; E2921-V2953 WeakPolarHBondContact O-CG1 3.47Å; E2921-R2954 HydrophobicContact CB-CB 4.1Å; E2921-R2954 PolarHBondContact O-N 2.84Å; E2921-R2954 WeakPolarHBondContact OE2-CD 3.37Å; E2921-R2954 IonicContact OE2-CZ 3.41Å; E2921-R2954 VanDerWaalsContact OE2-CZ 3.32Å; E2921-R2954 IonicContact OE2-NE 3.06Å; E2921-R2954 IonicContact OE2-NH1 3.22Å; E2921-R2954 PolarHBondContact OE2-NH1 3.22Å
2922	I	90.9	Very high	79.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.8	176.3	-56.1	176.9	0	0	0	109.5	M2504 I2506 A2519 V2521 E2924 L2930 L2951 L2952 V2953	M2504-I2922 HydrophobicContact SD-CD1 4.23Å; I2506-I2922 HydrophobicContact CB-CD1 4.48Å; I2506-I2922 HydrophobicContact CD1-CD1 3.4Å; I2506-I2922 VanDerWaalsContact CD1-CD1 3.42Å; I2506-I2922 HydrophobicContact CG1-CD1 3.62Å; I2506-I2922 HydrophobicContact CG2-CD1 4.15Å; A2519-I2922 PolarHBondContact O-N 3.12Å; V2521-I2922 HydrophobicContact CG2-CD1 3.85Å; V2521-I2922 HydrophobicContact CG2-CG1 4.22Å; I2922-E2924 WeakPolarHBondContact CG2-O 3.33Å; I2922-L2930 HydrophobicContact CB-CD1 4.26Å; I2922-L2930 HydrophobicContact CG2-CD1 3.79Å; I2922-L2951 HydrophobicContact CD1-CD1 4.14Å; I2922-L2951 HydrophobicContact CG2-CB 4.48Å; I2922-L2951 HydrophobicContact CG2-CD2 4.29Å; I2922-L2952 CarbonylContact C-O 3.57Å; I2922-V2953 HydrophobicContact CG1-CG2 4.44Å
2923	L	91.1	Very high	82.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-37.3	-177.1	-52.3	167.8	0	0	0	111.6	Y2479 F2481 T2483 E2921 P2929 L2930 V2931 L2952 R2954	Y2479-L2923 HydrophobicContact CD1-CD1 4.12Å; Y2479-L2923 HydrophobicContact CD1-CD2 4.37Å; Y2479-L2923 HydrophobicContact CD2-CD1 4.34Å; Y2479-L2923 HydrophobicContact CE1-CB 4.06Å; Y2479-L2923 HydrophobicContact CE1-CD1 4.32Å; Y2479-L2923 HydrophobicContact CE1-CD2 4.22Å; Y2479-L2923 HydrophobicContact CE1-CG 4.4Å; Y2479-L2923 HydrophobicContact CE2-CB 4.29Å; Y2479-L2923 HydrophobicContact CE2-CD1 4.38Å; Y2479-L2923 HydrophobicContact CG-CD1 4.13Å; F2481-L2923 HydrophobicContact CE2-CD1 3.67Å; F2481-L2923 HydrophobicContact CE2-CD2 4.03Å; F2481-L2923 HydrophobicContact CE2-CG 4.47Å; F2481-L2923 HydrophobicContact CZ-CD1 4.13Å; F2481-L2923 HydrophobicContact CZ-CD2 3.94Å; T2483-L2923 HydrophobicContact CG2-CD1 3.46Å; T2483-L2923 VanDerWaalsContact CG2-CD1 3.46Å; E2921-L2923 HydrophobicContact CG-CD2 4.36Å; L2923-P2929 CarbonylContact O-C 3.19Å; L2923-P2929 WeakPolarHBondContact O-CA 3.35Å; L2923-L2930 PolarHBondContact O-N 3.18Å; L2923-V2931 HydrophobicContact CB-CG2 4.45Å; L2923-V2931 HydrophobicContact CD2-CG2 4.09Å; L2923-L2952 HydrophobicContact CB-CB 4.47Å; L2923-L2952 HydrophobicContact CB-CD2 4.3Å; L2923-L2952 HydrophobicContact CB-CG 4.48Å; L2923-L2952 HydrophobicContact CD1-CD2 4.12Å; L2923-L2952 HydrophobicContact CD1-CG 4.28Å; L2923-L2952 PolarHBondContact N-O 3.37Å; L2923-R2954 HydrophobicContact CD1-CB 4.28Å; L2923-R2954 HydrophobicContact CD2-CB 4.38Å; L2923-R2954 HydrophobicContact CG-CB 4.41Å
2924	E	92.1	Very high	85.4	Confident	9.5 Å²	9.5	41 Å²	41	4%	0.044	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.7	-178.2	-51.5	-179.3	155.6	0	0	112.1	Y2479 R2485 I2922 I2928 L2951 L2952	Y2479-E2924 HydrophobicContact CE2-CG 4.24Å; Y2479-E2924 VanDerWaalsContact CE2-OE1 3.26Å; Y2479-E2924 WeakPolarHBondContact CE2-OE1 3.33Å; Y2479-E2924 WeakPolarHBondContact OH-CG 3.39Å; Y2479-E2924 PolarHBondContact OH-OE1 3.47Å; R2485-E2924 IonicContact CZ-OE2 3.77Å; R2485-E2924 IonicContact NE-OE2 3.44Å; R2485-E2924 IonicContact NH2-OE2 3.32Å; R2485-E2924 PolarHBondContact NH2-OE2 3.07Å; I2922-E2924 WeakPolarHBondContact CG2-O 3.33Å; E2924-I2928 CarbonylContact C-O 3.37Å; E2924-I2928 VanDerWaalsContact CA-O 3.27Å; E2924-I2928 WeakPolarHBondContact CA-O 3.42Å; E2924-L2951 WeakPolarHBondContact O-CA 3.26Å; E2924-L2952 HydrophobicContact CB-CB 3.69Å; E2924-L2952 HydrophobicContact CG-CB 3.89Å; E2924-L2952 HydrophobicContact CG-CD2 3.91Å; E2924-L2952 PolarHBondContact N-O 3.09Å; E2924-L2952 PolarHBondContact O-N 2.77Å
2925	W	90.6	Very high	87.3	Confident	3.5 Å²	3.5	39.2 Å²	39.2	1%	0.013	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.7	173.5	176.5	-80.4	0	0	0	109	I2502 I2506 S2927 I2928 L2930 I2941 I2942 T2949 E2950 L2951	I2502-W2925 HydrophobicContact CD1-CH2 3.58Å; I2502-W2925 VanDerWaalsContact CD1-CH2 3.45Å; I2502-W2925 HydrophobicContact CD1-CZ2 3.63Å; I2502-W2925 HydrophobicContact CD1-CZ3 3.66Å; I2502-W2925 HydrophobicContact CG2-CH2 4.36Å; I2506-W2925 HydrophobicContact CD1-CE3 3.99Å; I2506-W2925 HydrophobicContact CD1-CH2 4.35Å; I2506-W2925 HydrophobicContact CD1-CZ3 3.51Å; I2506-W2925 VanDerWaalsContact CD1-CZ3 3.41Å; W2925-S2927 PolarHBondContact O-N 3.21Å; W2925-I2928 PolarHBondContact N-O 3.12Å; W2925-I2928 WeakPolarHBondContact O-CA 3.19Å; W2925-I2928 VanDerWaalsContact O-CB 3.24Å; W2925-I2928 WeakPolarHBondContact O-CB 3.26Å; W2925-I2928 PolarHBondContact O-N 3.05Å; W2925-L2930 HydrophobicContact CB-CD1 4.13Å; W2925-L2930 HydrophobicContact CB-CD2 3.97Å; W2925-L2930 HydrophobicContact CB-CG 4.16Å; W2925-I2941 HydrophobicContact CB-CG2 4.03Å; W2925-I2941 HydrophobicContact CG-CG2 3.85Å; W2925-I2941 PolarHBondContact NE1-O 3.33Å; W2925-I2942 HydrophobicContact CD2-CG1 3.95Å; W2925-I2942 HydrophobicContact CE3-CD1 4.28Å; W2925-I2942 HydrophobicContact CE3-CG1 3.81Å; W2925-I2942 HydrophobicContact CG-CG1 4.43Å; W2925-I2942 HydrophobicContact CH2-CB 4.22Å; W2925-I2942 HydrophobicContact CH2-CG1 4.13Å; W2925-I2942 HydrophobicContact CH2-CG2 3.73Å; W2925-I2942 HydrophobicContact CZ2-CB 4.17Å; W2925-I2942 HydrophobicContact CZ2-CG1 4.24Å; W2925-I2942 HydrophobicContact CZ2-CG2 4.02Å; W2925-I2942 WeakPolarHBondContact CZ2-O 3.36Å; W2925-I2942 HydrophobicContact CZ3-CB 4.36Å; W2925-I2942 HydrophobicContact CZ3-CD1 4.28Å; W2925-I2942 HydrophobicContact CZ3-CG1 3.92Å; W2925-I2942 HydrophobicContact CZ3-CG2 4.21Å; W2925-T2949 HydrophobicContact CD2-CG2 3.88Å; W2925-T2949 HydrophobicContact CE3-CG2 3.93Å; W2925-T2949 HydrophobicContact CH2-CG2 3.65Å; W2925-T2949 HydrophobicContact CZ2-CG2 3.59Å; W2925-T2949 HydrophobicContact CZ3-CG2 3.81Å; W2925-E2950 CarbonylContact C-O 3.49Å; W2925-E2950 WeakPolarHBondContact CA-O 3.39Å; W2925-L2951 HydrophobicContact CD2-CD2 4.13Å; W2925-L2951 HydrophobicContact CE3-CD2 3.27Å; W2925-L2951 HydrophobicContact CZ3-CD2 3.64Å
2926	N	89	Confident	88.6	Confident	52.5 Å²	52.5	44.1 Å²	44.1	28%	0.281	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	43.4	-171.5	-65.5	-25.8	0	0	0	112.6	I2928 S2946 T2949 E2950	N2926-I2928 PolarHBondContact O-N 3.15Å; N2926-I2928 VanDerWaalsContact O-N 3.16Å; N2926-S2946 PolarHBondContact ND2-OG 2.81Å; N2926-S2946 VanDerWaalsContact ND2-OG 3.09Å; N2926-T2949 VanDerWaalsContact OD1-CA 3.32Å; N2926-T2949 WeakPolarHBondContact OD1-CA 3.27Å; N2926-E2950 PolarHBondContact N-O 3.19Å; N2926-E2950 PolarHBondContact OD1-N 3.01Å
2927	S	86.6	Confident	89.2	Confident	55 Å²	55	47.9 Å²	47.9	39%	0.385	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	17.4	-172.4	-65.4	0	0	0	0	115.4	R2485 W2925 E2950	R2485-S2927 PolarHBondContact NH1-OG 3.22Å; R2485-S2927 VanDerWaalsContact NH1-OG 3.12Å; R2485-S2927 PolarHBondContact NH2-OG 3.11Å; W2925-S2927 PolarHBondContact O-N 3.21Å; S2927-E2950 PolarHBondContact OG-OE2 3.25Å
2928	I	90.2	Very high	89.7	Confident	59.5 Å²	59.5	43.5 Å²	43.5	31%	0.305	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.6	166.9	-53.9	172	0	0	0	108.2	E2924 W2925 N2926 L2930 I2941	E2924-I2928 CarbonylContact C-O 3.37Å; E2924-I2928 VanDerWaalsContact CA-O 3.27Å; E2924-I2928 WeakPolarHBondContact CA-O 3.42Å; W2925-I2928 PolarHBondContact N-O 3.12Å; W2925-I2928 WeakPolarHBondContact O-CA 3.19Å; W2925-I2928 VanDerWaalsContact O-CB 3.24Å; W2925-I2928 WeakPolarHBondContact O-CB 3.26Å; W2925-I2928 PolarHBondContact O-N 3.05Å; N2926-I2928 PolarHBondContact O-N 3.15Å; N2926-I2928 VanDerWaalsContact O-N 3.16Å; I2928-L2930 PolarHBondContact O-N 3.1Å; I2928-I2941 HydrophobicContact CD1-CG2 4.3Å; I2928-I2941 HydrophobicContact CG2-CD1 4.02Å
2929	P	91.5	Very high	90	Very high	54 Å²	54	41.2 Å²	41.2	35%	0.351	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.9	178.3	26	-33.6	0	0	0	111.8	L2923 K2933	L2923-P2929 CarbonylContact O-C 3.19Å; L2923-P2929 WeakPolarHBondContact O-CA 3.35Å; P2929-K2933 WeakPolarHBondContact O-CD 3.27Å; P2929-K2933 VanDerWaalsContact O-CE 3.25Å; P2929-K2933 WeakPolarHBondContact O-CE 3.47Å; P2929-K2933 PolarHBondContact O-NZ 3.07Å
2930	L	92	Very high	90.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.			trans	-95.9	-18.4	173.7	-58.2	-172	0	0	0	112.6	A2519 I2922 L2923 W2925 I2928 G2932 K2933 V2938 I2941	A2519-L2930 HydrophobicContact CB-CB 3.81Å; A2519-L2930 HydrophobicContact CB-CD1 3.67Å; A2519-L2930 HydrophobicContact CB-CG 4.4Å; I2922-L2930 HydrophobicContact CB-CD1 4.26Å; I2922-L2930 HydrophobicContact CG2-CD1 3.79Å; L2923-L2930 PolarHBondContact O-N 3.18Å; W2925-L2930 HydrophobicContact CB-CD1 4.13Å; W2925-L2930 HydrophobicContact CB-CD2 3.97Å; W2925-L2930 HydrophobicContact CB-CG 4.16Å; I2928-L2930 PolarHBondContact O-N 3.1Å; L2930-G2932 PolarHBondContact O-N 3Å; L2930-K2933 WeakPolarHBondContact O-CB 3.41Å; L2930-K2933 PolarHBondContact O-N 3.19Å; L2930-V2938 HydrophobicContact CB-CG2 4.42Å; L2930-V2938 HydrophobicContact CD1-CG1 4.4Å; L2930-V2938 HydrophobicContact CD2-CG2 4.36Å; L2930-I2941 HydrophobicContact CD2-CB 4.41Å; L2930-I2941 HydrophobicContact CD2-CD1 4.03Å; L2930-I2941 HydrophobicContact CD2-CG2 3.97Å
2931	V	89.3	Confident	90.3	Very high	44 Å²	44	41.2 Å²	41.2	27%	0.267	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	135	175.5	-173.1	0	0	0	0	110.3	Y2479 N2516 L2923 K2933	Y2479-V2931 HydrophobicContact CE1-CG2 4.33Å; N2516-V2931 HydrophobicContact CB-CG1 4.49Å; L2923-V2931 HydrophobicContact CB-CG2 4.45Å; L2923-V2931 HydrophobicContact CD2-CG2 4.09Å; V2931-K2933 VanDerWaalsContact C-N 3.34Å
2932	G	88.7	Confident	90.1	Very high	45 Å²	45	42.1 Å²	42.1	46%	0.464	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-1.6	-177.8	0	0	0	0	0	115.4	L2517 L2930	L2517-G2932 PolarHBondContact O-N 3.01Å; L2930-G2932 PolarHBondContact O-N 3Å
2933	K	89.8	Confident	89.7	Confident	46.5 Å²	46.5	46 Å²	46	20%	0.202	27%	0.265	C	S	.	.			trans	-94.5	148.8	-174	-67.2	-171.2	168.7	-137.2	0	114.4	G2509 L2517 P2929 L2930 V2931 E2937 V2938 I2941	G2509-K2933 PolarHBondContact N-O 3.25Å; L2517-K2933 WeakPolarHBondContact CB-O 3.26Å; L2517-K2933 WeakPolarHBondContact CD1-O 3.33Å; P2929-K2933 WeakPolarHBondContact O-CD 3.27Å; P2929-K2933 VanDerWaalsContact O-CE 3.25Å; P2929-K2933 WeakPolarHBondContact O-CE 3.47Å; P2929-K2933 PolarHBondContact O-NZ 3.07Å; L2930-K2933 WeakPolarHBondContact O-CB 3.41Å; L2930-K2933 PolarHBondContact O-N 3.19Å; V2931-K2933 VanDerWaalsContact C-N 3.34Å; K2933-E2937 VanDerWaalsContact CA-OE2 3.28Å; K2933-E2937 WeakPolarHBondContact CA-OE2 3.46Å; K2933-E2937 HydrophobicContact CB-CB 4.01Å; K2933-E2937 WeakPolarHBondContact CB-OE2 3.09Å; K2933-E2937 HydrophobicContact CD-CB 4.27Å; K2933-E2937 HydrophobicContact CG-CB 4.43Å; K2933-E2937 IonicContact NZ-OE1 3.88Å; K2933-E2937 PolarHBondContact NZ-OE1 3.45Å; K2933-V2938 HydrophobicContact CB-CG2 3.78Å; K2933-I2941 HydrophobicContact CD-CD1 3.49Å; K2933-I2941 VanDerWaalsContact CD-CD1 3.43Å; K2933-I2941 VanDerWaalsContact NZ-CD1 3.34Å
2934	T	90.7	Very high	89.2	Confident	54.5 Å²	54.5	51.2 Å²	51.2	33%	0.334	29%	0.289	S	S	.	.			trans	-70	165.2	173.3	69.8	0	0	0	0	112	L2517 E2936 E2937 V2938	L2517-T2934 HydrophobicContact CD1-CG2 4.31Å; T2934-E2936 VanDerWaalsContact C-N 3.28Å; T2934-E2936 VanDerWaalsContact CB-OE2 3.24Å; T2934-E2936 WeakPolarHBondContact CB-OE2 3.28Å; T2934-E2936 PolarHBondContact O-N 3.28Å; T2934-E2936 PolarHBondContact OG1-N 3Å; T2934-E2936 PolarHBondContact OG1-OE2 2.88Å; T2934-E2937 PolarHBondContact N-OE2 3.02Å; T2934-E2937 PolarHBondContact O-N 2.91Å; T2934-E2937 WeakPolarHBondContact OG1-CB 3.09Å; T2934-E2937 VanDerWaalsContact OG1-CG 3.24Å; T2934-E2937 WeakPolarHBondContact OG1-CG 3.47Å; T2934-E2937 PolarHBondContact OG1-N 3.12Å; T2934-E2937 PolarHBondContact OG1-OE2 3.2Å; T2934-V2938 WeakPolarHBondContact O-CG2 3.46Å; T2934-V2938 PolarHBondContact O-N 2.95Å
2935	F	90.1	Very high	87.7	Confident	94.5 Å²	94.5	56 Å²	56	41%	0.414	32%	0.319	S	S	.	.	H	α-helix	trans	-54.3	-46.4	173.7	172.6	-98.7	0	0	0	111.4	V2507 G2508 V2938 Q2939	V2507-F2935 HydrophobicContact CG1-CE2 4.35Å; G2508-F2935 WeakPolarHBondContact O-CA 3.45Å; G2508-F2935 WeakPolarHBondContact O-CB 3.26Å; F2935-V2938 PolarHBondContact O-N 3.33Å; F2935-Q2939 HydrophobicContact CD1-CG 4.28Å; F2935-Q2939 HydrophobicContact CD2-CG 4.34Å; F2935-Q2939 HydrophobicContact CE1-CG 3.81Å; F2935-Q2939 HydrophobicContact CE2-CG 3.89Å; F2935-Q2939 HydrophobicContact CG-CG 4.48Å; F2935-Q2939 HydrophobicContact CZ-CG 3.6Å; F2935-Q2939 WeakPolarHBondContact O-CG 3.02Å; F2935-Q2939 PolarHBondContact O-N 3.25Å
2936	E	90.8	Very high	86.6	Confident	128 Å²	128	57.5 Å²	57.5	60%	0.598	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-43.3	-178.1	-61.2	71.1	-157.1	0	0	111.9	T2934 Q2939 A2940	T2934-E2936 VanDerWaalsContact C-N 3.28Å; T2934-E2936 VanDerWaalsContact CB-OE2 3.24Å; T2934-E2936 WeakPolarHBondContact CB-OE2 3.28Å; T2934-E2936 PolarHBondContact O-N 3.28Å; T2934-E2936 PolarHBondContact OG1-N 3Å; T2934-E2936 PolarHBondContact OG1-OE2 2.88Å; E2936-Q2939 PolarHBondContact O-N 3.42Å; E2936-A2940 VanDerWaalsContact O-CB 3.28Å; E2936-A2940 WeakPolarHBondContact O-CB 3.41Å; E2936-A2940 PolarHBondContact O-N 3.2Å
2937	E	91.7	Very high	85.8	Confident	81.5 Å²	81.5	61.5 Å²	61.5	38%	0.381	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-72.8	178	108.2	0	0	112.2	K2933 T2934 A2940 I2941	K2933-E2937 VanDerWaalsContact CA-OE2 3.28Å; K2933-E2937 WeakPolarHBondContact CA-OE2 3.46Å; K2933-E2937 HydrophobicContact CB-CB 4.01Å; K2933-E2937 WeakPolarHBondContact CB-OE2 3.09Å; K2933-E2937 HydrophobicContact CD-CB 4.27Å; K2933-E2937 HydrophobicContact CG-CB 4.43Å; K2933-E2937 IonicContact NZ-OE1 3.88Å; K2933-E2937 PolarHBondContact NZ-OE1 3.45Å; T2934-E2937 PolarHBondContact N-OE2 3.02Å; T2934-E2937 PolarHBondContact O-N 2.91Å; T2934-E2937 WeakPolarHBondContact OG1-CB 3.09Å; T2934-E2937 VanDerWaalsContact OG1-CG 3.24Å; T2934-E2937 WeakPolarHBondContact OG1-CG 3.47Å; T2934-E2937 PolarHBondContact OG1-N 3.12Å; T2934-E2937 PolarHBondContact OG1-OE2 3.2Å; E2937-A2940 PolarHBondContact O-N 3.17Å; E2937-I2941 WeakPolarHBondContact O-CD1 3.12Å; E2937-I2941 VanDerWaalsContact O-CG1 3.29Å; E2937-I2941 WeakPolarHBondContact O-CG1 3.31Å; E2937-I2941 PolarHBondContact O-N 3.44Å
2938	V	91.6	Very high	85.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-45.3	178.3	169.2	0	0	0	0	110.4	I2506 A2519 L2930 K2933 T2934 F2935 A2940 I2941 I2942	I2506-V2938 HydrophobicContact CG2-CG1 4.41Å; A2519-V2938 HydrophobicContact CB-CG1 4.07Å; A2519-V2938 HydrophobicContact CB-CG2 4.28Å; L2930-V2938 HydrophobicContact CB-CG2 4.42Å; L2930-V2938 HydrophobicContact CD1-CG1 4.4Å; L2930-V2938 HydrophobicContact CD2-CG2 4.36Å; K2933-V2938 HydrophobicContact CB-CG2 3.78Å; T2934-V2938 WeakPolarHBondContact O-CG2 3.46Å; T2934-V2938 PolarHBondContact O-N 2.95Å; F2935-V2938 PolarHBondContact O-N 3.33Å; V2938-A2940 VanDerWaalsContact C-N 3.32Å; V2938-A2940 PolarHBondContact O-N 3.07Å; V2938-I2941 PolarHBondContact O-N 3.13Å; V2938-I2942 HydrophobicContact CG1-CD1 3.55Å; V2938-I2942 VanDerWaalsContact CG1-CD1 3.47Å; V2938-I2942 HydrophobicContact CG1-CG1 4.44Å; V2938-I2942 WeakPolarHBondContact O-CB 3.27Å; V2938-I2942 WeakPolarHBondContact O-CD1 3.45Å; V2938-I2942 VanDerWaalsContact O-CG1 3.27Å; V2938-I2942 WeakPolarHBondContact O-CG1 3.23Å; V2938-I2942 PolarHBondContact O-N 2.82Å
2939	Q	89.6	Confident	85	Confident	59.5 Å²	59.5	61 Å²	61	28%	0.278	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-39	173	-64.3	-49.2	-43.2	0	0	112.2	I2506 F2935 E2936 I2941 I2942 S2943	I2506-Q2939 PolarHBondContact O-NE2 3.12Å; F2935-Q2939 HydrophobicContact CD1-CG 4.28Å; F2935-Q2939 HydrophobicContact CD2-CG 4.34Å; F2935-Q2939 HydrophobicContact CE1-CG 3.81Å; F2935-Q2939 HydrophobicContact CE2-CG 3.89Å; F2935-Q2939 HydrophobicContact CG-CG 4.48Å; F2935-Q2939 HydrophobicContact CZ-CG 3.6Å; F2935-Q2939 WeakPolarHBondContact O-CG 3.02Å; F2935-Q2939 PolarHBondContact O-N 3.25Å; E2936-Q2939 PolarHBondContact O-N 3.42Å; Q2939-I2941 VanDerWaalsContact C-N 3.32Å; Q2939-I2941 PolarHBondContact O-N 2.74Å; Q2939-I2942 PolarHBondContact O-N 2.73Å; Q2939-S2943 VanDerWaalsContact O-CB 3.25Å; Q2939-S2943 WeakPolarHBondContact O-CB 3.33Å; Q2939-S2943 PolarHBondContact O-N 2.89Å; Q2939-S2943 PolarHBondContact O-OG 3Å
2940	A	88.7	Confident	84.7	Confident	56.5 Å²	56.5	60.8 Å²	60.8	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-36.2	177.4	0	0	0	0	0	112.8	E2936 E2937 V2938 S2943 Q2944	E2936-A2940 VanDerWaalsContact O-CB 3.28Å; E2936-A2940 WeakPolarHBondContact O-CB 3.41Å; E2936-A2940 PolarHBondContact O-N 3.2Å; E2937-A2940 PolarHBondContact O-N 3.17Å; V2938-A2940 VanDerWaalsContact C-N 3.32Å; V2938-A2940 PolarHBondContact O-N 3.07Å; A2940-S2943 PolarHBondContact O-OG 2.88Å; A2940-Q2944 WeakPolarHBondContact O-CG 3.34Å
2941	I	90	Very high	84.6	Confident	16.5 Å²	16.5	60.8 Å²	60.8	9%	0.085	33%	0.332	C	S	.	.	H	α-helix	trans	-71.1	-47	175.1	-70.1	161.5	0	0	0	110.9	W2925 I2928 L2930 K2933 E2937 V2938 Q2939 S2943 Q2944	W2925-I2941 HydrophobicContact CB-CG2 4.03Å; W2925-I2941 HydrophobicContact CG-CG2 3.85Å; W2925-I2941 PolarHBondContact NE1-O 3.33Å; I2928-I2941 HydrophobicContact CD1-CG2 4.3Å; I2928-I2941 HydrophobicContact CG2-CD1 4.02Å; L2930-I2941 HydrophobicContact CD2-CB 4.41Å; L2930-I2941 HydrophobicContact CD2-CD1 4.03Å; L2930-I2941 HydrophobicContact CD2-CG2 3.97Å; K2933-I2941 HydrophobicContact CD-CD1 3.49Å; K2933-I2941 VanDerWaalsContact CD-CD1 3.43Å; K2933-I2941 VanDerWaalsContact NZ-CD1 3.34Å; E2937-I2941 WeakPolarHBondContact O-CD1 3.12Å; E2937-I2941 VanDerWaalsContact O-CG1 3.29Å; E2937-I2941 WeakPolarHBondContact O-CG1 3.31Å; E2937-I2941 PolarHBondContact O-N 3.44Å; V2938-I2941 PolarHBondContact O-N 3.13Å; Q2939-I2941 VanDerWaalsContact C-N 3.32Å; Q2939-I2941 PolarHBondContact O-N 2.74Å; I2941-S2943 VanDerWaalsContact C-N 3.27Å; I2941-S2943 PolarHBondContact O-N 3.42Å; I2941-Q2944 WeakPolarHBondContact O-CB 3.37Å; I2941-Q2944 WeakPolarHBondContact O-CG 3.36Å; I2941-Q2944 PolarHBondContact O-N 3.08Å
2942	I	87.3	Confident	84.6	Confident	23 Å²	23	59.2 Å²	59.2	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-65.5	-30.7	-179.9	-68.6	167.3	0	0	0	112.2	I2506 W2925 V2938 Q2939 Q2944	I2506-I2942 HydrophobicContact CB-CD1 3.68Å; I2506-I2942 HydrophobicContact CD1-CD1 3.93Å; I2506-I2942 HydrophobicContact CD1-CG1 4.32Å; I2506-I2942 HydrophobicContact CG1-CD1 4.42Å; I2506-I2942 HydrophobicContact CG2-CD1 3.84Å; W2925-I2942 HydrophobicContact CD2-CG1 3.95Å; W2925-I2942 HydrophobicContact CE3-CD1 4.28Å; W2925-I2942 HydrophobicContact CE3-CG1 3.81Å; W2925-I2942 HydrophobicContact CG-CG1 4.43Å; W2925-I2942 HydrophobicContact CH2-CB 4.22Å; W2925-I2942 HydrophobicContact CH2-CG1 4.13Å; W2925-I2942 HydrophobicContact CH2-CG2 3.73Å; W2925-I2942 HydrophobicContact CZ2-CB 4.17Å; W2925-I2942 HydrophobicContact CZ2-CG1 4.24Å; W2925-I2942 HydrophobicContact CZ2-CG2 4.02Å; W2925-I2942 WeakPolarHBondContact CZ2-O 3.36Å; W2925-I2942 HydrophobicContact CZ3-CB 4.36Å; W2925-I2942 HydrophobicContact CZ3-CD1 4.28Å; W2925-I2942 HydrophobicContact CZ3-CG1 3.92Å; W2925-I2942 HydrophobicContact CZ3-CG2 4.21Å; V2938-I2942 HydrophobicContact CG1-CD1 3.55Å; V2938-I2942 VanDerWaalsContact CG1-CD1 3.47Å; V2938-I2942 HydrophobicContact CG1-CG1 4.44Å; V2938-I2942 WeakPolarHBondContact O-CB 3.27Å; V2938-I2942 WeakPolarHBondContact O-CD1 3.45Å; V2938-I2942 VanDerWaalsContact O-CG1 3.27Å; V2938-I2942 WeakPolarHBondContact O-CG1 3.23Å; V2938-I2942 PolarHBondContact O-N 2.82Å; Q2939-I2942 PolarHBondContact O-N 2.73Å; I2942-Q2944 VanDerWaalsContact C-N 3.26Å; I2942-Q2944 PolarHBondContact O-N 3.02Å
2943	S	83.3	Confident	84.6	Confident	81.5 Å²	81.5	57.2 Å²	57.2	57%	0.57	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.3	177.7	5.9	0	0	0	0	114.1	Q2939 A2940 I2941 V2945	Q2939-S2943 VanDerWaalsContact O-CB 3.25Å; Q2939-S2943 WeakPolarHBondContact O-CB 3.33Å; Q2939-S2943 PolarHBondContact O-N 2.89Å; Q2939-S2943 PolarHBondContact O-OG 3Å; A2940-S2943 PolarHBondContact O-OG 2.88Å; I2941-S2943 VanDerWaalsContact C-N 3.27Å; I2941-S2943 PolarHBondContact O-N 3.42Å; S2943-V2945 PolarHBondContact O-N 3.13Å
2944	Q	79.8	Confident	84.4	Confident	110.5 Å²	110.5	57.1 Å²	57.1	52%	0.516	30%	0.299	S	S	.	.	S	Bend	trans	-66.3	130.1	179.2	-63.4	-174.7	5.8	0	0	110.7	R2490 A2940 I2941 I2942 S2946	R2490-Q2944 PolarHBondContact NH1-O 3.44Å; A2940-Q2944 WeakPolarHBondContact O-CG 3.34Å; I2941-Q2944 WeakPolarHBondContact O-CB 3.37Å; I2941-Q2944 WeakPolarHBondContact O-CG 3.36Å; I2941-Q2944 PolarHBondContact O-N 3.08Å; I2942-Q2944 VanDerWaalsContact C-N 3.26Å; I2942-Q2944 PolarHBondContact O-N 3.02Å; Q2944-S2946 PolarHBondContact O-N 3.06Å; Q2944-S2946 VanDerWaalsContact O-N 3.12Å
2945	V	59.8	Low	83.5	Confident	111 Å²	111	55.2 Å²	55.2	67%	0.673	29%	0.288	S	S	*	.			trans	-83.3	97.7	-173.5	-176.4	0	0	0	0	110.4	S2943	S2943-V2945 PolarHBondContact O-N 3.13Å
2946	S	67.5	Low	82.1	Confident	35 Å²	35	55.7 Å²	55.7	25%	0.245	30%	0.295	C	S	.	.			trans	-108.9	148.8	160.8	127.2	0	0	0	0	110.8	R2490 N2926 Q2944 E2948 T2949	R2490-S2946 WeakPolarHBondContact CD-O 3.41Å; N2926-S2946 PolarHBondContact ND2-OG 2.81Å; N2926-S2946 VanDerWaalsContact ND2-OG 3.09Å; Q2944-S2946 PolarHBondContact O-N 3.06Å; Q2944-S2946 VanDerWaalsContact O-N 3.12Å; S2946-E2948 VanDerWaalsContact C-N 3.35Å; S2946-E2948 VanDerWaalsContact CB-O 3.23Å; S2946-E2948 WeakPolarHBondContact CB-O 3.18Å; S2946-E2948 PolarHBondContact OG-N 3.13Å; S2946-E2948 PolarHBondContact OG-O 3.02Å; S2946-T2949 PolarHBondContact OG-OG1 2.88Å
2947	E	72.1	Confident	79.9	Confident	136.5 Å²	136.5	58.1 Å²	58.1	64%	0.638	30%	0.3	S	S	*	.	S	Bend	trans	-76.6	-31.8	174.3	-51.3	-160.9	144.5	0	0	111.4	R2490 F2492	R2490-E2947 WeakPolarHBondContact CB-O 3.18Å; R2490-E2947 PolarHBondContact N-O 3.04Å; F2492-E2947 HydrophobicContact CE2-CB 3.99Å; F2492-E2947 HydrophobicContact CE2-CG 4.36Å; F2492-E2947 HydrophobicContact CZ-CB 3.85Å; F2492-E2947 HydrophobicContact CZ-CG 4.03Å; F2492-E2947 WeakPolarHBondContact CZ-OE1 3.37Å
2948	E	77.6	Confident	77.3	Confident	101.5 Å²	101.5	59.9 Å²	59.9	47%	0.474	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.1	174.2	-61.6	-178.8	168.7	0	0	108.9	L2487 L2488 M2489 S2946	L2487-E2948 HydrophobicContact CD1-CB 4.22Å; L2488-E2948 CarbonylContact O-C 3.55Å; L2488-E2948 WeakPolarHBondContact O-CA 3.25Å; M2489-E2948 HydrophobicContact CE-CG 4.39Å; S2946-E2948 VanDerWaalsContact C-N 3.35Å; S2946-E2948 VanDerWaalsContact CB-O 3.23Å; S2946-E2948 WeakPolarHBondContact CB-O 3.18Å; S2946-E2948 PolarHBondContact OG-N 3.13Å; S2946-E2948 PolarHBondContact OG-O 3.02Å
2949	T	82.5	Confident	74.6	Confident	0.5 Å²	0.5	68 Å²	68	0%	0.003	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.6	-179.5	-58.4	0	0	0	0	109.9	L2487 L2488 I2502 W2925 N2926 S2946 L2951	L2487-T2949 WeakPolarHBondContact CA-O 3.34Å; L2488-T2949 PolarHBondContact N-O 3.13Å; L2488-T2949 PolarHBondContact O-N 3.12Å; I2502-T2949 HydrophobicContact CD1-CG2 4.29Å; I2502-T2949 WeakPolarHBondContact CD1-OG1 2.85Å; W2925-T2949 HydrophobicContact CD2-CG2 3.88Å; W2925-T2949 HydrophobicContact CE3-CG2 3.93Å; W2925-T2949 HydrophobicContact CH2-CG2 3.65Å; W2925-T2949 HydrophobicContact CZ2-CG2 3.59Å; W2925-T2949 HydrophobicContact CZ3-CG2 3.81Å; N2926-T2949 VanDerWaalsContact OD1-CA 3.32Å; N2926-T2949 WeakPolarHBondContact OD1-CA 3.27Å; S2946-T2949 PolarHBondContact OG-OG1 2.88Å; T2949-L2951 HydrophobicContact CG2-CD2 3.88Å; T2949-L2951 HydrophobicContact CG2-CG 4.44Å
2950	E	86.3	Confident	71.8	Confident	51.5 Å²	51.5	68.2 Å²	68.2	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.9	172.4	-177	-177	-130.5	0	0	110	R2485 L2486 L2487 W2925 N2926 S2927	R2485-E2950 VanDerWaalsContact CD-OE1 3.27Å; R2485-E2950 WeakPolarHBondContact CD-OE1 3.28Å; R2485-E2950 HydrophobicContact CG-CG 4.04Å; R2485-E2950 VanDerWaalsContact CZ-CD 3.49Å; R2485-E2950 IonicContact CZ-OE1 3.33Å; R2485-E2950 IonicContact CZ-OE2 3.83Å; R2485-E2950 IonicContact NE-OE1 3.76Å; R2485-E2950 IonicContact NE-OE2 2.64Å; R2485-E2950 IonicContact NH1-OE1 2.95Å; R2485-E2950 PolarHBondContact NH1-OE1 3.44Å; R2485-E2950 IonicContact NH1-OE2 3.24Å; R2485-E2950 PolarHBondContact NH1-OE2 2.86Å; R2485-E2950 IonicContact NH2-OE2 2.75Å; L2486-E2950 CarbonylContact O-C 3.48Å; L2486-E2950 VanDerWaalsContact O-CA 3.29Å; L2486-E2950 WeakPolarHBondContact O-CA 3.22Å; L2487-E2950 HydrophobicContact CD1-CB 4.33Å; W2925-E2950 CarbonylContact C-O 3.49Å; W2925-E2950 WeakPolarHBondContact CA-O 3.39Å; N2926-E2950 PolarHBondContact N-O 3.19Å; N2926-E2950 PolarHBondContact OD1-N 3.01Å; S2927-E2950 PolarHBondContact OG-OE2 3.25Å
2951	L	89.4	Confident	69.2	Low	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.6	171	-53.6	-178.5	0	0	0	109.9	R2485 L2486 L2488 M2504 I2916 I2922 E2924 W2925 T2949 V2953	R2485-L2951 CarbonylContact C-O 3.59Å; R2485-L2951 VanDerWaalsContact CA-O 3.31Å; R2485-L2951 WeakPolarHBondContact CA-O 3.37Å; R2485-L2951 WeakPolarHBondContact CG-O 3.48Å; L2486-L2951 HydrophobicContact CB-CB 4.35Å; L2486-L2951 PolarHBondContact N-O 2.8Å; L2486-L2951 PolarHBondContact O-N 3.34Å; L2488-L2951 HydrophobicContact CD1-CD1 3.54Å; L2488-L2951 VanDerWaalsContact CD1-CD1 3.49Å; L2488-L2951 HydrophobicContact CD1-CG 4.11Å; M2504-L2951 HydrophobicContact CE-CD1 3.85Å; M2504-L2951 HydrophobicContact SD-CD1 4.02Å; I2916-L2951 HydrophobicContact CD1-CD1 4.18Å; I2922-L2951 HydrophobicContact CD1-CD1 4.14Å; I2922-L2951 HydrophobicContact CG2-CB 4.48Å; I2922-L2951 HydrophobicContact CG2-CD2 4.29Å; E2924-L2951 WeakPolarHBondContact O-CA 3.26Å; W2925-L2951 HydrophobicContact CD2-CD2 4.13Å; W2925-L2951 HydrophobicContact CE3-CD2 3.27Å; W2925-L2951 HydrophobicContact CZ3-CD2 3.64Å; T2949-L2951 HydrophobicContact CG2-CD2 3.88Å; T2949-L2951 HydrophobicContact CG2-CG 4.44Å; L2951-V2953 HydrophobicContact CB-CG2 4.12Å
2952	L	88.7	Confident	66.8	Low	10 Å²	10	78.6 Å²	78.6	5%	0.052	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.4	158.5	-168.6	74.7	0	0	0	108.6	Y2479 T2483 K2484 R2485 I2922 L2923 E2924	Y2479-L2952 HydrophobicContact CD2-CD2 3.6Å; Y2479-L2952 HydrophobicContact CE2-CD2 3.31Å; T2483-L2952 HydrophobicContact CG2-CD2 4.19Å; T2483-L2952 HydrophobicContact CG2-CG 4.36Å; K2484-L2952 WeakPolarHBondContact O-CA 3.23Å; R2485-L2952 HydrophobicContact CB-CD1 4.11Å; R2485-L2952 HydrophobicContact CG-CD1 3.72Å; I2922-L2952 CarbonylContact C-O 3.57Å; L2923-L2952 HydrophobicContact CB-CB 4.47Å; L2923-L2952 HydrophobicContact CB-CD2 4.3Å; L2923-L2952 HydrophobicContact CB-CG 4.48Å; L2923-L2952 HydrophobicContact CD1-CD2 4.12Å; L2923-L2952 HydrophobicContact CD1-CG 4.28Å; L2923-L2952 PolarHBondContact N-O 3.37Å; E2924-L2952 HydrophobicContact CB-CB 3.69Å; E2924-L2952 HydrophobicContact CG-CB 3.89Å; E2924-L2952 HydrophobicContact CG-CD2 3.91Å; E2924-L2952 PolarHBondContact N-O 3.09Å; E2924-L2952 PolarHBondContact O-N 2.77Å
2953	V	89.3	Confident	64.6	Low	2 Å²	2	86.7 Å²	86.7	1%	0.012	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.1	-176.5	-168.6	0	0	0	0	109.2	T2483 K2484 L2486 I2916 D2920 E2921 I2922 L2951 A2955	T2483-V2953 CarbonylContact C-O 3.57Å; T2483-V2953 VanDerWaalsContact CA-O 3.28Å; T2483-V2953 WeakPolarHBondContact CA-O 3.32Å; K2484-V2953 PolarHBondContact N-O 3.32Å; K2484-V2953 PolarHBondContact O-N 3.04Å; L2486-V2953 HydrophobicContact CD1-CG2 3.91Å; L2486-V2953 HydrophobicContact CG-CG2 4.4Å; I2916-V2953 HydrophobicContact CD1-CG2 4.14Å; I2916-V2953 HydrophobicContact CG1-CG1 4.45Å; D2920-V2953 HydrophobicContact CB-CG1 3.83Å; E2921-V2953 CarbonylContact O-C 3.53Å; E2921-V2953 VanDerWaalsContact O-CA 3.28Å; E2921-V2953 WeakPolarHBondContact O-CA 3.45Å; E2921-V2953 WeakPolarHBondContact O-CG1 3.47Å; I2922-V2953 HydrophobicContact CG1-CG2 4.44Å; L2951-V2953 HydrophobicContact CB-CG2 4.12Å; V2953-A2955 PolarHBondContact O-N 3.35Å
2954	R	86.2	Confident	62.3	Low	45.5 Å²	45.5	90.7 Å²	90.7	17%	0.172	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.4	168.5	173.8	173.2	-94.3	174.4	-18.9	108.8	F2481 E2921 L2923 D2956	F2481-R2954 HydrophobicContact CD2-CB 4.41Å; F2481-R2954 HydrophobicContact CD2-CG 3.94Å; F2481-R2954 VanDerWaalsContact CD2-NE 3.3Å; F2481-R2954 HydrophobicContact CE2-CB 4.11Å; F2481-R2954 HydrophobicContact CE2-CG 3.92Å; F2481-R2954 VanDerWaalsContact CZ-NH2 3.28Å; E2921-R2954 HydrophobicContact CB-CB 4.1Å; E2921-R2954 PolarHBondContact O-N 2.84Å; E2921-R2954 WeakPolarHBondContact OE2-CD 3.37Å; E2921-R2954 IonicContact OE2-CZ 3.41Å; E2921-R2954 VanDerWaalsContact OE2-CZ 3.32Å; E2921-R2954 IonicContact OE2-NE 3.06Å; E2921-R2954 IonicContact OE2-NH1 3.22Å; E2921-R2954 PolarHBondContact OE2-NH1 3.22Å; L2923-R2954 HydrophobicContact CD1-CB 4.28Å; L2923-R2954 HydrophobicContact CD2-CB 4.38Å; L2923-R2954 HydrophobicContact CG-CB 4.41Å; R2954-D2956 VanDerWaalsContact CD-OD1 3.26Å; R2954-D2956 WeakPolarHBondContact CD-OD1 3.38Å; R2954-D2956 VanDerWaalsContact CG-OD1 3.31Å; R2954-D2956 WeakPolarHBondContact CG-OD1 3.34Å; R2954-D2956 PolarHBondContact O-N 2.81Å
2955	A	71.7	Confident	60.8	Low	14 Å²	14	93.2 Å²	93.2	12%	0.116	49%	0.49	C	S	.	.			trans	-96.4	91.6	176.9	0	0	0	0	0	109.1	P2482 K2484 L2913 V2953 Y2957	P2482-A2955 HydrophobicContact CB-CB 4.14Å; P2482-A2955 PolarHBondContact O-N 3.33Å; K2484-A2955 HydrophobicContact CD-CB 4.37Å; K2484-A2955 HydrophobicContact CG-CB 4.08Å; L2913-A2955 HydrophobicContact CD1-CB 3.8Å; L2913-A2955 HydrophobicContact CD2-CB 4.37Å; V2953-A2955 PolarHBondContact O-N 3.35Å; A2955-Y2957 WeakPolarHBondContact O-CD2 3.13Å; A2955-Y2957 PolarHBondContact O-N 2.9Å
2956	D	60	Low	59.9	Low	105.5 Å²	105.5	97.1 Å²	97.1	56%	0.564	50%	0.5	S	S	*	.			trans	-65.5	108.3	178.8	-71.8	-23.2	0	0	0	110.8	R2954 T2958	R2954-D2956 VanDerWaalsContact CD-OD1 3.26Å; R2954-D2956 WeakPolarHBondContact CD-OD1 3.38Å; R2954-D2956 VanDerWaalsContact CG-OD1 3.31Å; R2954-D2956 WeakPolarHBondContact CG-OD1 3.34Å; R2954-D2956 PolarHBondContact O-N 2.81Å; D2956-T2958 VanDerWaalsContact C-N 3.25Å; D2956-T2958 PolarHBondContact O-N 3.43Å; D2956-T2958 VanDerWaalsContact O-N 3.08Å
2957	Y	44.1	Very low	58.6	Low	178.5 Å²	178.5	98.7 Å²	98.7	70%	0.7	52%	0.522	S	S	*	.			trans	-72.7	109.2	154.4	-91.8	-103.3	0	0	0	107.2	P2482 A2955 Q2959	P2482-Y2957 HydrophobicContact CB-CD2 3.89Å; P2482-Y2957 HydrophobicContact CB-CE2 3.58Å; P2482-Y2957 HydrophobicContact CG-CD2 3.72Å; P2482-Y2957 HydrophobicContact CG-CE2 3.69Å; A2955-Y2957 WeakPolarHBondContact O-CD2 3.13Å; A2955-Y2957 PolarHBondContact O-N 2.9Å; Y2957-Q2959 PolarHBondContact O-N 2.94Å
2958	T	38.5	Very low	57.4	Low	118.5 Å²	118.5	99.3 Å²	99.3	73%	0.727	53%	0.525	S	S	*	.			trans	-55.8	97.6	171.4	52.8	0	0	0	0	110.2	D2956 G2960	D2956-T2958 VanDerWaalsContact C-N 3.25Å; D2956-T2958 PolarHBondContact O-N 3.43Å; D2956-T2958 VanDerWaalsContact O-N 3.08Å; T2958-G2960 PolarHBondContact O-N 3.17Å; T2958-G2960 VanDerWaalsContact O-N 3.1Å
2959	Q	33.6	Very low	56	Low	171.5 Å²	171.5	99.7 Å²	99.7	80%	0.801	53%	0.531	S	S	*	.			trans	-58.7	123.9	167.2	-168.7	173.8	-28.1	0	0	108.1	Y2957 D2961	Y2957-Q2959 PolarHBondContact O-N 2.94Å; Q2959-D2961 VanDerWaalsContact NE2-CG 3.32Å; Q2959-D2961 PolarHBondContact NE2-OD1 2.96Å; Q2959-D2961 PolarHBondContact NE2-OD2 2.87Å; Q2959-D2961 PolarHBondContact O-N 2.78Å
2960	G	31.7	Very low	54.2	Low	62 Å²	62	105.6 Å²	105.6	64%	0.639	56%	0.562	S	S	*	*			trans	-117.2	106.7	-178.3	0	0	0	0	0	110.5	T2958 D2962	T2958-G2960 PolarHBondContact O-N 3.17Å; T2958-G2960 VanDerWaalsContact O-N 3.1Å; G2960-D2962 PolarHBondContact O-N 3.37Å; G2960-D2962 VanDerWaalsContact O-N 3.08Å
2961	D	32.9	Very low	52.2	Low	135.5 Å²	135.5	106.5 Å²	106.5	73%	0.725	59%	0.585	S	S	*	*			trans	-4.3	102.7	-176.5	-51	-27.1	0	0	0	111.5	Q2959 E2963	Q2959-D2961 VanDerWaalsContact NE2-CG 3.32Å; Q2959-D2961 PolarHBondContact NE2-OD1 2.96Å; Q2959-D2961 PolarHBondContact NE2-OD2 2.87Å; Q2959-D2961 PolarHBondContact O-N 2.78Å; D2961-E2963 PolarHBondContact O-N 3.13Å
2962	D	40.3	Very low	50.1	Low	156.5 Å²	156.5	114.2 Å²	114.2	84%	0.837	62%	0.621	S	S	*	*			trans	0.3	93	166.1	-69	-29.8	0	0	0	113.8	G2960	G2960-D2962 PolarHBondContact O-N 3.37Å; G2960-D2962 VanDerWaalsContact O-N 3.08Å
2963	E	40.6	Very low	47.9	Very low	192.5 Å²	192.5	122.2 Å²	122.2	90%	0.9	66%	0.658	S	S	*	*			trans	-111.2	107.9	163.8	-93.1	173.9	-178.1	0	0	113.1	D2961 D2965	D2961-E2963 PolarHBondContact O-N 3.13Å; E2963-D2965 PolarHBondContact O-N 2.82Å
2964	D	36.3	Very low	45.9	Very low	165.5 Å²	165.5	128.7 Å²	128.7	89%	0.885	69%	0.692	S	S	*	*			trans	-68.8	115.9	173.7	-64	-65.4	0	0	0	111.6	E2966	D2964-E2966 PolarHBondContact O-N 3.18Å
2965	D	47.1	Very low	43.8	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	72%	0.721	S	S	*	*			trans	-108.8	106.4	173.2	-156.4	14.2	0	0	0	110.1	E2963	E2963-D2965 PolarHBondContact O-N 2.82Å
2966	E	41.1	Very low	42.3	Very low	192 Å²	192	141.5 Å²	141.5	90%	0.897	76%	0.756	S	S	*	*			trans	-83.4	124.9	-176.4	-69	-171.2	156.4	0	0	112.6	D2964	D2964-E2966 PolarHBondContact O-N 3.18Å
2967	G	41.6	Very low	41.7	Very low	69 Å²	69	145.5 Å²	145.5	71%	0.711	77%	0.772	S	S	*	*			trans	163.2	141.4	159.6	0	0	0	0	0	118.4
2968	E	46.5	Very low	41.7	Very low	149 Å²	149	145 Å²	145	70%	0.696	78%	0.775	S	S	*	*				116.6	123.1	69.9	-81	-167	153.7	0	0	114.5
2969	D	47.1	Very low	42.2	Very low	109.5 Å²	109.5	145.6 Å²	145.6	59%	0.586	77%	0.774	S	S	*	*				61.6	136.5	111	-137.6	-0.2	0	0	0	121
2970	D	45.3	Very low	43.1	Very low	126 Å²	126	143.9 Å²	143.9	67%	0.674	77%	0.771	S	S	*	*			trans	-135.7	157.8	167	61.5	-88.6	0	0	0	113.9
2971	G	44	Very low	44	Very low	69.5 Å²	69.5	149.3 Å²	149.3	72%	0.716	78%	0.779	S	S	*	*				-171.1	167	87.3	0	0	0	0	0	113.1
2972	E	45.5	Very low	44.6	Very low	162 Å²	162	150.2 Å²	150.2	76%	0.757	78%	0.784	S	S	*	*			trans	149.8	141.5	161.4	-66.9	-175.5	172.1	0	0	115.1	T2634	T2634-E2972 VanDerWaalsContact CG2-OE2 3.25Å; T2634-E2972 WeakPolarHBondContact CG2-OE2 3.32Å; T2634-E2972 PolarHBondContact OG1-OE1 3.12Å; T2634-E2972 PolarHBondContact OG1-OE2 2.77Å
2973	E	42.9	Very low	45.1	Very low	178 Å²	178	151 Å²	151	83%	0.832	78%	0.783	S	S	*	*				-121.2	171.2	-124.5	-106	168.7	176	0	0	109.4
2974	I	46.8	Very low	45.7	Very low	138.5 Å²	138.5	148.7 Å²	148.7	71%	0.71	77%	0.772	S	S	*	*			trans	134.9	124.4	148.2	-86.7	154	0	0	0	113.8
2975	E	41.2	Very low	46.2	Very low	167.5 Å²	167.5	150.2 Å²	150.2	78%	0.783	77%	0.767	S	S	*	*				115.9	144.3	61.6	-81.3	172.5	171.1	0	0	113.8
2976	D	40.6	Very low	46.1	Very low	160.5 Å²	160.5	148.7 Å²	148.7	86%	0.858	76%	0.758	S	S	*	*			trans	-38.7	-165.5	156.5	-58.2	41.1	0	0	0	119.4
2977	E	47.5	Very low	46.2	Very low	190.5 Å²	190.5	146.6 Å²	146.6	89%	0.89	75%	0.749	S	S	*	*			trans	139.7	147.1	167.1	-99	172.6	-153.9	0	0	113.1
2978	E	45.4	Very low	46.3	Very low	167 Å²	167	151.3 Å²	151.3	78%	0.78	75%	0.752	S	S	*	*				-130.8	-170.9	-95.9	-94.7	175.8	156.6	0	0	111.4
2979	D	48.7	Very low	46.6	Very low	130.5 Å²	130.5	153.4 Å²	153.4	70%	0.698	76%	0.755	S	S	*	*			trans	74.2	126	158.3	-54.8	-12.7	0	0	0	121.6
2980	D	51.7	Low	46.7	Very low	137 Å²	137	154.8 Å²	154.8	73%	0.733	76%	0.762	S	S	*	*				134.6	164.4	59.5	-86.9	-12.9	0	0	0	119.2
2981	E	50.7	Low	46.9	Very low	174.5 Å²	174.5	155.9 Å²	155.9	82%	0.815	77%	0.767	S	S	*	*			trans	58.5	113.7	159.5	-53.5	-168	158.6	0	0	121
2982	D	44.9	Very low	47.3	Very low	155.5 Å²	155.5	158.9 Å²	158.9	83%	0.832	77%	0.767	S	S	*	*				-77.7	150	80.7	-67.3	-53.7	0	0	0	116.6
2983	E	51.8	Low	48	Very low	173 Å²	173	158.5 Å²	158.5	81%	0.808	77%	0.77	S	S	*	*			trans	-133	164.7	160.6	-93.3	-114.1	-130.6	0	0	110.6
2984	E	52.1	Low	48.6	Very low	143.5 Å²	143.5	156.7 Å²	156.7	67%	0.671	77%	0.767	S	S	*	*			cis	129.9	133.2	34.6	-166.6	176.1	-145.2	0	0	112.3
2985	Y	48.5	Very low	48.9	Very low	197 Å²	197	156.9 Å²	156.9	77%	0.773	77%	0.769	S	S	*	*			trans	141.6	140.1	163.8	-77.6	-78.6	0	0	0	114.5
2986	D	44.2	Very low	49.4	Very low	132 Å²	132	156 Å²	156	71%	0.706	77%	0.77	S	S	*	*				-139.1	-178.3	-80.5	-90.5	-59.8	0	0	0	111.4
2987	E	44.2	Very low	49.8	Very low	149.5 Å²	149.5	156.4 Å²	156.4	70%	0.699	77%	0.766	S	S	*	*				146.7	139.5	85.6	-59.5	-176.4	144.8	0	0	112.6	Y2989	E2987-Y2989 WeakPolarHBondContact OE2-CE2 3.37Å; E2987-Y2989 PolarHBondContact OE2-OH 3.46Å
2988	E	43.4	Very low	49.6	Very low	166 Å²	166	154.1 Å²	154.1	78%	0.776	76%	0.76	S	S	*	*				165.6	148	113.8	-72.7	-172.6	155.3	0	0	113.1
2989	Y	52.8	Low	49.3	Very low	193 Å²	193	149.3 Å²	149.3	76%	0.757	75%	0.749	S	S	*	*			trans	-177.9	141.9	138.3	-94.5	-72.9	0	0	0	112.2	E2987	E2987-Y2989 WeakPolarHBondContact OE2-CE2 3.37Å; E2987-Y2989 PolarHBondContact OE2-OH 3.46Å
2990	L	47.9	Very low	48.9	Very low	140.5 Å²	140.5	149.8 Å²	149.8	74%	0.736	76%	0.757	S	S	*	*			trans	-14.6	123.7	178.4	-54.2	176.5	0	0	0	112.9
2991	D	49.8	Very low	48.2	Very low	147.5 Å²	147.5	148.1 Å²	148.1	79%	0.789	76%	0.756	S	S	*	*				141.7	154.2	93	-73.6	-46.1	0	0	0	111.5
2992	D	53.1	Low	47.5	Very low	133.5 Å²	133.5	148.1 Å²	148.1	71%	0.714	76%	0.761	S	S	*	*			trans	166.7	151	-177.9	-59.4	-46.6	0	0	0	117.1
2993	D	58.9	Low	47	Very low	152.5 Å²	152.5	147.3 Å²	147.3	82%	0.816	75%	0.754	S	S	*	*			trans	74.8	144.9	150.3	-55.2	-11.3	0	0	0	119.3
2994	D	55.8	Low	46.3	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	75%	0.752	S	S	*	*			cis	-174.9	169.2	-15.2	-154.2	14	0	0	0	108.5
2995	D	53.5	Low	45.4	Very low	141 Å²	141	145.5 Å²	145.5	75%	0.754	75%	0.749	S	S	*	*				0.5	163	78.8	-55.3	-68.4	0	0	0	118.2
2996	D	51.5	Low	44.4	Very low	150.5 Å²	150.5	142.6 Å²	142.6	81%	0.805	76%	0.756	S	S	*	*				129.4	146.7	70.1	-116.9	4.5	0	0	0	117.5
2997	E	49.4	Very low	43.9	Very low	167.5 Å²	167.5	140.1 Å²	140.1	78%	0.783	76%	0.762	S	S	*	*				162.9	132	116.2	-76.1	-134.2	140.7	0	0	113.5
2998	D	43.7	Very low	43.4	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	77%	0.773	S	S	*	*				130.7	167.7	70	-150.4	36.1	0	0	0	119.6
2999	A	38.8	Very low	42.9	Very low	66 Å²	66	134.7 Å²	134.7	55%	0.545	77%	0.77	S	S	.	*			trans	57.6	101.9	156.5	0	0	0	0	0	122.8
3000	T	40	Very low	42	Very low	140.5 Å²	140.5	131 Å²	131	86%	0.862	77%	0.772	S	S	*	*				127.2	115	111.8	42.5	0	0	0	0	119.3
3001	S	36.6	Very low	41.4	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	78%	0.777	S	S	*	*				37.5	114.9	124.6	171.4	0	0	0	0	120.6
3002	L	36.4	Very low	40.7	Very low	175 Å²	175	127.5 Å²	127.5	92%	0.916	78%	0.778	S	S	*	*				-158	103.2	111.8	-113.9	163.5	0	0	0	114.4
3003	M	34.2	Very low	39.8	Very low	138 Å²	138	129 Å²	129	68%	0.68	79%	0.786	S	S	*	*			trans	-91.6	148.6	174.9	179.1	-144.9	-162.2	0	0	111.4
3004	K	37.2	Very low	38.6	Very low	178 Å²	178	127.3 Å²	127.3	77%	0.774	79%	0.786	S	S	*	*			trans	140.8	114.4	147.2	-77.9	153.9	-173.4	167.7	0	112.1
3005	T	32.4	Very low	37.6	Very low	100 Å²	100	123.7 Å²	123.7	61%	0.613	78%	0.783	S	S	*	*			cis	96.7	125.6	44.2	60.4	0	0	0	0	114.3
3006	C	27.7	Very low	36.6	Very low	136 Å²	136	125.8 Å²	125.8	92%	0.919	79%	0.788	S	S	*	*			trans	67.7	136.5	152.8	-58.4	0	0	0	0	120.1
3007	G	34.8	Very low	35.5	Very low	81 Å²	81	124.1 Å²	124.1	84%	0.835	78%	0.783	S	S	*	*			trans	168.6	84.9	171.4	0	0	0	0	0	114.1
3008	S	32.7	Very low	34.6	Very low	132 Å²	132	123.2 Å²	123.2	92%	0.923	78%	0.784	S	S	*	*			trans	-88.1	147.5	-175.7	-54.1	0	0	0	0	114.5
3009	G	33	Very low	34	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	79%	0.789	S	S	*	*			trans	120.4	136.8	133.2	0	0	0	0	0	119.5
3010	S	34.6	Very low	33.6	Very low	114 Å²	114	130.4 Å²	130.4	80%	0.797	80%	0.8	S	S	*	*			trans	68.1	142.9	155.3	-118.7	0	0	0	0	118.1
3011	T	34.4	Very low	33.2	Very low	137 Å²	137	132 Å²	132	84%	0.84	80%	0.797	S	S	*	*			cis	-166.5	147.3	-12.6	1.7	0	0	0	0	108.2
3012	G	35.4	Very low	32.9	Very low	77 Å²	77	132 Å²	132	79%	0.794	80%	0.804	S	S	*	*			trans	164.5	113.7	165.5	0	0	0	0	0	117.6
3013	N	33.7	Very low	32.8	Very low	166 Å²	166	131.1 Å²	131.1	89%	0.888	80%	0.799	S	S	*	*			trans	-59.3	161.3	157.1	-86.8	-25.9	0	0	0	111
3014	S	35.2	Very low	32.8	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	80%	0.8	S	S	*	*			cis	-169.6	167.7	-4.1	44.5	0	0	0	0	105.8
3015	G	33.2	Very low	32.7	Very low	68 Å²	68	129.3 Å²	129.3	70%	0.701	80%	0.802	S	S	*	*			cis	162.6	-176.3	10.8	0	0	0	0	0	108.3
3016	Q	33.2	Very low	32.8	Very low	184 Å²	184	132 Å²	132	86%	0.86	81%	0.807	S	S	*	*			trans	67.8	81.3	173.7	-66.8	-168.6	-65.5	0	0	119.9
3017	T	29.7	Very low	33.2	Very low	115 Å²	115	131.9 Å²	131.9	71%	0.706	79%	0.793	S	S	*	*				64.8	133.9	117.9	55.9	0	0	0	0	123.3
3018	N	29.8	Very low	33.2	Very low	149 Å²	149	131 Å²	131	80%	0.797	78%	0.778	S	S	*	*			trans	101.8	122.1	148.4	-65.8	-35.7	0	0	0	119.7
3019	R	30.1	Very low	33.3	Very low	233 Å²	233	127.6 Å²	127.6	88%	0.879	76%	0.758	S	S	*	*			trans	82	154.7	162.1	-67	179.7	163.8	170.3	-5.2	119.2
3020	T	31.1	Very low	33.5	Very low	126 Å²	126	129.5 Å²	129.5	77%	0.773	75%	0.748	S	S	*	*			trans	85.3	153.1	169.5	73.9	0	0	0	0	117.5
3021	H	30.6	Very low	33.7	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.806	74%	0.744	S	S	*	*			trans	61	70.4	175.6	-65.5	-82.1	0	0	0	118.9
3022	A	31.4	Very low	33.8	Very low	103 Å²	103	127.5 Å²	127.5	85%	0.851	73%	0.726	S	S	*	*			trans	-131	38.7	153.8	0	0	0	0	0	111.2
3023	L	34.7	Very low	33.8	Very low	156 Å²	156	131 Å²	131	82%	0.817	73%	0.725	S	S	*	*			trans	-142	97	-179.1	-78.6	169.8	0	0	0	108.7
3024	C	33.3	Very low	33.9	Very low	104 Å²	104	130.7 Å²	130.7	70%	0.703	72%	0.721	S	S	*	*	S	Bend	trans	-158.4	-45.3	168.1	-139.9	0	0	0	0	113.6	H3026	C3024-H3026 PolarHBondContact O-N 2.91Å
3025	H	36.2	Very low	33.9	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.806	71%	0.711	S	S	*	*	H	α-helix	trans	-77.3	-19.5	-171.3	-80.8	-83.1	0	0	0	116.1
3026	H	34.1	Very low	33.9	Very low	156 Å²	156	134.4 Å²	134.4	72%	0.722	72%	0.717	S	S	*	*	H	α-helix	trans	-83.2	-37.6	-176.8	-143.9	66.5	0	0	0	113.4	C3024 A3028 Q3030	C3024-H3026 PolarHBondContact O-N 2.91Å; H3026-A3028 VanDerWaalsContact C-N 3.35Å; H3026-A3028 PolarHBondContact O-N 2.96Å; H3026-Q3030 PolarHBondContact O-N 2.83Å
3027	H	36.4	Very low	33.9	Very low	134 Å²	134	130.7 Å²	130.7	62%	0.62	71%	0.711	S	S	*	*	H	α-helix	trans	-70.1	-28.3	174.8	-80.8	160.8	0	0	0	113.3	Q3030 H3031	H3027-Q3030 PolarHBondContact O-N 2.86Å; H3027-H3031 PolarHBondContact O-N 2.82Å; H3027-H3031 VanDerWaalsContact O-N 3.1Å
3028	A	34.8	Very low	34	Very low	63 Å²	63	135.2 Å²	135.2	52%	0.521	72%	0.721	S	S	.	*	H	α-helix	trans	-64.5	-41.2	178.8	0	0	0	0	0	112.1	H3026 H3031 A3032	H3026-A3028 VanDerWaalsContact C-N 3.35Å; H3026-A3028 PolarHBondContact O-N 2.96Å; A3028-H3031 PolarHBondContact O-N 3.04Å; A3028-A3032 PolarHBondContact O-N 2.77Å
3029	A	34.8	Very low	34.6	Very low	61 Å²	61	130.9 Å²	130.9	50%	0.504	71%	0.711	S	S	.	*	H	α-helix	trans	-66.8	-40.7	176.3	0	0	0	0	0	112.3	H3031 A3032 L3033	A3029-H3031 VanDerWaalsContact C-N 3.32Å; A3029-H3031 PolarHBondContact O-N 3.17Å; A3029-A3032 PolarHBondContact O-N 3.23Å; A3029-A3032 VanDerWaalsContact O-N 3.14Å; A3029-L3033 PolarHBondContact O-N 2.89Å
3030	Q	37.8	Very low	35	Very low	109 Å²	109	125.3 Å²	125.3	51%	0.509	71%	0.706	S	S	.	*	H	α-helix	trans	-64.7	-34.4	177.5	-69.5	-176.5	-54.4	0	0	112.6	H3026 H3027 A3032 M3034	H3026-Q3030 PolarHBondContact O-N 2.83Å; H3027-Q3030 PolarHBondContact O-N 2.86Å; Q3030-A3032 VanDerWaalsContact C-N 3.34Å; Q3030-M3034 WeakPolarHBondContact O-CG 3.3Å
3031	H	38.4	Very low	35.3	Very low	153 Å²	153	125.8 Å²	125.8	71%	0.708	71%	0.71	S	S	*	*	H	α-helix	trans	-73.1	-21.2	173.3	-95.2	-79.7	0	0	0	114.5	H3027 A3028 A3029	H3027-H3031 PolarHBondContact O-N 2.82Å; H3027-H3031 VanDerWaalsContact O-N 3.1Å; A3028-H3031 PolarHBondContact O-N 3.04Å; A3029-H3031 VanDerWaalsContact C-N 3.32Å; A3029-H3031 PolarHBondContact O-N 3.17Å
3032	A	36.8	Very low	35.7	Very low	57 Å²	57	123.4 Å²	123.4	47%	0.471	70%	0.703	S	S	.	*	H	α-helix	trans	-78	-39.7	178.2	0	0	0	0	0	112.5	A3028 A3029 Q3030 M3034 S3035	A3028-A3032 PolarHBondContact O-N 2.77Å; A3029-A3032 PolarHBondContact O-N 3.23Å; A3029-A3032 VanDerWaalsContact O-N 3.14Å; Q3030-A3032 VanDerWaalsContact C-N 3.34Å; A3032-M3034 PolarHBondContact O-N 2.85Å; A3032-S3035 PolarHBondContact O-OG 2.84Å
3033	L	35.2	Very low	35.7	Very low	149 Å²	149	121.7 Å²	121.7	78%	0.78	68%	0.683	S	S	*	*	H	α-helix	trans	-69.4	-29.6	-178.7	-114.8	70.3	0	0	0	113.6	A3029 S3035	A3029-L3033 PolarHBondContact O-N 2.89Å; L3033-S3035 PolarHBondContact O-N 3.14Å
3034	M	34.2	Very low	35.8	Very low	161 Å²	161	118.9 Å²	118.9	79%	0.793	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	18	-178.4	-59.8	-176.4	85.3	0	0	114.2	Q3030 A3032	Q3030-M3034 WeakPolarHBondContact O-CG 3.3Å; A3032-M3034 PolarHBondContact O-N 2.85Å
3035	S	36.5	Very low	36.1	Very low	86 Å²	86	118.2 Å²	118.2	60%	0.601	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-1	-176.7	67.1	0	0	0	0	114.7	A3032 L3033	A3032-S3035 PolarHBondContact O-OG 2.84Å; L3033-S3035 PolarHBondContact O-N 3.14Å
3036	Q	33.2	Very low	36.7	Very low	176 Å²	176	113.9 Å²	113.9	82%	0.822	64%	0.643	S	S	*	*			trans	-127.1	47.8	-170.1	-60.7	-168.1	43.4	0	0	114.6
3037	S	32.2	Very low	37	Very low	106 Å²	106	114.9 Å²	114.9	74%	0.741	64%	0.64	S	S	*	*			trans	-128.9	98.3	167.2	51.6	0	0	0	0	111.7	G3039	S3037-G3039 VanDerWaalsContact C-N 3.27Å; S3037-G3039 PolarHBondContact O-N 3.17Å
3038	K	32.6	Very low	37.2	Very low	209 Å²	209	114.3 Å²	114.3	91%	0.909	64%	0.638	S	S	*	*			trans	-80.7	73.4	171	-74.1	-177.7	177.9	174.2	0	110.2
3039	G	41.6	Very low	37.6	Very low	58 Å²	58	115.8 Å²	115.8	60%	0.598	63%	0.634	S	S	*	*			trans	-65.4	163.4	171.8	0	0	0	0	0	112.9	S3037	S3037-G3039 VanDerWaalsContact C-N 3.27Å; S3037-G3039 PolarHBondContact O-N 3.17Å
3040	P	39.2	Very low	37.7	Very low	117 Å²	117	121.8 Å²	121.8	76%	0.76	65%	0.645	S	S	*	*			trans	-59	152.9	177.2	-23.4	34.4	0	0	0	113	I3042	P3040-I3042 PolarHBondContact O-N 3.09Å
3041	P	36.3	Very low	37.9	Very low	135 Å²	135	123 Å²	123	88%	0.877	65%	0.654	S	S	*	*			trans	-68.3	102.1	-177.4	27.6	-34.5	0	0	0	112	C3043	P3041-C3043 PolarHBondContact O-N 2.97Å
3042	I	39.2	Very low	37.8	Very low	125 Å²	125	120.3 Å²	120.3	64%	0.641	65%	0.652	S	S	*	*			trans	-54.5	132.2	172.1	-64.1	172.6	0	0	0	109.9	P3040 I3046	P3040-I3042 PolarHBondContact O-N 3.09Å; I3042-I3046 HydrophobicContact CG2-CB 3.84Å; I3042-I3046 HydrophobicContact CG2-CD1 4.43Å; I3042-I3046 HydrophobicContact CG2-CG2 3.88Å
3043	C	32.1	Very low	37.6	Very low	66 Å²	66	122.6 Å²	122.6	45%	0.446	65%	0.654	S	S	.	*			trans	-50.7	131.1	179.1	178.5	0	0	0	0	111.8	P3041 H3045 I3046 R3047	P3041-C3043 PolarHBondContact O-N 2.97Å; C3043-H3045 PolarHBondContact O-N 2.88Å; C3043-I3046 HydrophobicContact CB-CD1 4.23Å; C3043-I3046 HydrophobicContact CB-CG1 4.39Å; C3043-I3046 PolarHBondContact O-N 3.32Å; C3043-R3047 PolarHBondContact O-N 2.78Å
3044	P	36.4	Very low	37.5	Very low	97 Å²	97	121.3 Å²	121.3	63%	0.63	66%	0.655	S	S	*	*	H	α-helix	trans	-52.4	-31.2	-177.9	-30.4	36.1	0	0	0	115	R3047 Q3048	P3044-R3047 PolarHBondContact O-N 2.94Å; P3044-Q3048 PolarHBondContact O-N 3.25Å
3045	H	40.7	Very low	37.5	Very low	91 Å²	91	120.5 Å²	120.5	42%	0.421	66%	0.659	S	S	.	*	H	α-helix	trans	-62.9	-43	176.6	-117.5	77.7	0	0	0	112.8	C3043 R3047 Q3048 H3049	C3043-H3045 PolarHBondContact O-N 2.88Å; H3045-R3047 VanDerWaalsContact C-N 3.31Å; H3045-R3047 PolarHBondContact O-N 2.75Å; H3045-Q3048 PolarHBondContact O-N 3.44Å; H3045-H3049 PolarHBondContact O-N 2.97Å
3046	I	48.9	Very low	37.3	Very low	82 Å²	82	122 Å²	122	42%	0.421	67%	0.669	S	S	.	*	H	α-helix	trans	-64.9	-40.9	177.3	-62.6	173.2	0	0	0	109.5	I3042 C3043 Q3048 H3049 Y3050	I3042-I3046 HydrophobicContact CG2-CB 3.84Å; I3042-I3046 HydrophobicContact CG2-CD1 4.43Å; I3042-I3046 HydrophobicContact CG2-CG2 3.88Å; C3043-I3046 HydrophobicContact CB-CD1 4.23Å; C3043-I3046 HydrophobicContact CB-CG1 4.39Å; C3043-I3046 PolarHBondContact O-N 3.32Å; I3046-Q3048 VanDerWaalsContact C-N 3.34Å; I3046-Q3048 PolarHBondContact O-N 3.31Å; I3046-H3049 PolarHBondContact O-N 3.28Å; I3046-H3049 VanDerWaalsContact O-N 3.16Å; I3046-Y3050 HydrophobicContact CG2-CD2 4.03Å; I3046-Y3050 HydrophobicContact CG2-CE2 4.12Å; I3046-Y3050 PolarHBondContact O-N 3.36Å; I3046-Y3050 VanDerWaalsContact O-N 3.1Å
3047	R	39.2	Very low	37.4	Very low	178 Å²	178	120.8 Å²	120.8	67%	0.672	67%	0.669	S	S	*	*	H	α-helix	trans	-62.4	-39	177	-163.7	178.8	-175.6	-146.8	1	112.3	C3043 P3044 H3045 L3051	C3043-R3047 PolarHBondContact O-N 2.78Å; P3044-R3047 PolarHBondContact O-N 2.94Å; H3045-R3047 VanDerWaalsContact C-N 3.31Å; H3045-R3047 PolarHBondContact O-N 2.75Å; R3047-L3051 HydrophobicContact CG-CD1 4.02Å; R3047-L3051 WeakPolarHBondContact O-CB 3.5Å; R3047-L3051 WeakPolarHBondContact O-CD1 3.44Å; R3047-L3051 VanDerWaalsContact O-CG 3.24Å; R3047-L3051 WeakPolarHBondContact O-CG 3.41Å; R3047-L3051 PolarHBondContact O-N 3.33Å; R3047-L3051 VanDerWaalsContact O-N 3.16Å
3048	Q	41.6	Very low	37.3	Very low	122 Å²	122	124.1 Å²	124.1	57%	0.57	67%	0.672	S	S	*	*	H	α-helix	trans	-66.7	-37.7	173.2	-74.8	179.3	-43.3	0	0	112.5	P3044 H3045 I3046 L3051 S3052	P3044-Q3048 PolarHBondContact O-N 3.25Å; H3045-Q3048 PolarHBondContact O-N 3.44Å; I3046-Q3048 VanDerWaalsContact C-N 3.34Å; I3046-Q3048 PolarHBondContact O-N 3.31Å; Q3048-L3051 PolarHBondContact O-N 3.36Å; Q3048-S3052 WeakPolarHBondContact O-CB 3.04Å; Q3048-S3052 PolarHBondContact O-N 2.85Å; Q3048-S3052 PolarHBondContact O-OG 3.29Å
3049	H	41.9	Very low	37	Very low	94 Å²	94	125 Å²	125	44%	0.435	67%	0.67	S	S	.	*	H	α-helix	trans	-64.3	-43.6	178.4	-124.3	-77.8	0	0	0	113.1	H3045 I3046 S3052	H3045-H3049 PolarHBondContact O-N 2.97Å; I3046-H3049 PolarHBondContact O-N 3.28Å; I3046-H3049 VanDerWaalsContact O-N 3.16Å; H3049-S3052 PolarHBondContact O-N 3.45Å
3050	Y	38.3	Very low	36.3	Very low	187 Å²	187	127.4 Å²	127.4	73%	0.733	68%	0.678	S	S	*	*	H	α-helix	trans	-69.9	-36.5	176.2	-86.8	-93.5	0	0	0	113	I3046 S3052	I3046-Y3050 HydrophobicContact CG2-CD2 4.03Å; I3046-Y3050 HydrophobicContact CG2-CE2 4.12Å; I3046-Y3050 PolarHBondContact O-N 3.36Å; I3046-Y3050 VanDerWaalsContact O-N 3.1Å; Y3050-S3052 PolarHBondContact O-N 2.95Å
3051	L	41.9	Very low	35.8	Very low	135 Å²	135	127.8 Å²	127.8	71%	0.707	68%	0.677	S	S	*	*	H	α-helix	trans	-75.1	-6.7	178.2	-69.3	172.5	0	0	0	114.1	R3047 Q3048	R3047-L3051 HydrophobicContact CG-CD1 4.02Å; R3047-L3051 WeakPolarHBondContact O-CB 3.5Å; R3047-L3051 WeakPolarHBondContact O-CD1 3.44Å; R3047-L3051 VanDerWaalsContact O-CG 3.24Å; R3047-L3051 WeakPolarHBondContact O-CG 3.41Å; R3047-L3051 PolarHBondContact O-N 3.33Å; R3047-L3051 VanDerWaalsContact O-N 3.16Å; Q3048-L3051 PolarHBondContact O-N 3.36Å
3052	S	36	Very low	35.3	Very low	95 Å²	95	126.4 Å²	126.4	66%	0.664	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-1.6	178.9	-58.1	0	0	0	0	113.9	Q3048 H3049 Y3050	Q3048-S3052 WeakPolarHBondContact O-CB 3.04Å; Q3048-S3052 PolarHBondContact O-N 2.85Å; Q3048-S3052 PolarHBondContact O-OG 3.29Å; H3049-S3052 PolarHBondContact O-N 3.45Å; Y3050-S3052 PolarHBondContact O-N 2.95Å
3053	M	32.5	Very low	34.9	Very low	106 Å²	106	129 Å²	129	52%	0.522	68%	0.681	S	S	.	*	S	Bend	trans	-81.2	125.1	178.4	-71.9	-70.8	-179.4	0	0	111.5	T3055 P3293	M3053-T3055 PolarHBondContact O-N 3.44Å; M3053-T3055 VanDerWaalsContact O-N 3.16Å; M3053-P3293 HydrophobicContact CE-CB 4.48Å
3054	P	34.1	Very low	34.8	Very low	121 Å²	121	130.8 Å²	130.8	79%	0.786	69%	0.689	S	S	*	*			trans	-73.2	108.3	179.4	28.7	-33.5	0	0	0	111.4	S3056	P3054-S3056 PolarHBondContact O-N 2.93Å
3055	T	33.3	Very low	34.4	Very low	145 Å²	145	132.2 Å²	132.2	89%	0.89	70%	0.698	S	S	*	*			trans	-70.4	93.7	176.9	54.7	0	0	0	0	111.2	M3053 D3057	M3053-T3055 PolarHBondContact O-N 3.44Å; M3053-T3055 VanDerWaalsContact O-N 3.16Å; T3055-D3057 PolarHBondContact O-N 2.73Å
3056	S	31.6	Very low	33.9	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	71%	0.714	S	S	*	*			trans	-87.9	98.2	178.7	62.5	0	0	0	0	112	P3054	P3054-S3056 PolarHBondContact O-N 2.93Å
3057	D	35.2	Very low	33	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	73%	0.728	S	S	*	*			trans	-137.9	162.4	162.3	-140.8	-29.2	0	0	0	112	T3055	T3055-D3057 PolarHBondContact O-N 2.73Å
3058	H	30.3	Very low	32.4	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.815	74%	0.74	S	S	*	*			trans	-98.8	142.9	-148.4	-76.2	-86.7	0	0	0	116.9
3059	R	27.1	Very low	31.8	Very low	227 Å²	227	141.1 Å²	141.1	86%	0.857	75%	0.747	S	S	*	*			trans	101.7	115	132.1	-153	-179.7	-158.3	166.5	4.6	119.3
3060	S	25.8	Very low	31.2	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	76%	0.756	S	S	*	*			trans	64.9	146.7	156.7	60.3	0	0	0	0	117.2
3061	V	29.3	Very low	30.9	Very low	124 Å²	124	141.3 Å²	141.3	75%	0.752	76%	0.762	S	S	*	*			cis	-129.9	149.5	18.1	172.5	0	0	0	0	110.8
3062	S	26.4	Very low	30.3	Very low	106 Å²	106	141 Å²	141	74%	0.741	76%	0.761	S	S	*	*			trans	-85.5	121.8	170.1	179.9	0	0	0	0	111.5
3063	Q	29.2	Very low	30	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	77%	0.766	S	S	*	*			trans	-131.8	134.7	161.8	-79.5	-170.7	-37.2	0	0	109.7
3064	V	30.3	Very low	30	Very low	102 Å²	102	148.2 Å²	148.2	62%	0.618	78%	0.783	S	S	*	*			trans	-99.1	122.3	-167.8	179.5	0	0	0	0	110.9	H3066	V3064-H3066 PolarHBondContact O-N 3.36Å
3065	P	28	Very low	29.7	Very low	127 Å²	127	149.6 Å²	149.6	83%	0.825	78%	0.779	S	S	*	*			trans	-83	101.3	169.6	31.6	-31.1	0	0	0	110.6
3066	H	30.4	Very low	29.5	Very low	163 Å²	163	148.9 Å²	148.9	76%	0.755	77%	0.768	S	S	*	*			trans	-90.9	111.5	175.9	-97.8	-55.4	0	0	0	113.1	V3064	V3064-H3066 PolarHBondContact O-N 3.36Å
3067	K	29.5	Very low	29.4	Very low	166 Å²	166	150.8 Å²	150.8	72%	0.722	76%	0.764	S	S	*	*				59.7	106.5	127.9	-171.4	-173	-173.3	179.1	0	119.1
3068	L	28.2	Very low	29.1	Very low	176 Å²	176	150.7 Å²	150.7	92%	0.921	76%	0.759	S	S	*	*			trans	-169.2	159.7	138.5	-113.5	129.4	0	0	0	110.7
3069	H	28.9	Very low	29.4	Very low	156 Å²	156	150.4 Å²	150.4	72%	0.722	76%	0.758	S	S	*	*				-161.2	-179.3	-56.4	-156.9	58.5	0	0	0	109.3
3070	S	28.3	Very low	29.6	Very low	88 Å²	88	146 Å²	146	62%	0.615	75%	0.751	S	S	*	*			trans	75.4	141.7	177.5	-145.2	0	0	0	0	114
3071	K	32.6	Very low	29.9	Very low	196 Å²	196	147.1 Å²	147.1	85%	0.852	75%	0.747	S	S	*	*			cis	-122.1	142.3	22.2	-68.5	163.5	-176.8	167.4	0	114.4
3072	N	29.4	Very low	29.9	Very low	128 Å²	128	149 Å²	149	68%	0.684	75%	0.748	S	S	*	*			trans	-6.5	120.9	168.2	-54	24.6	0	0	0	116.3
3073	E	28.8	Very low	30.2	Very low	167 Å²	167	152.2 Å²	152.2	78%	0.78	75%	0.751	S	S	*	*				66.1	107.4	68.7	-69.2	-168.9	122.2	0	0	115
3074	Q	33	Very low	30.1	Very low	187 Å²	187	149 Å²	149	87%	0.874	75%	0.749	S	S	*	*				-175.8	141.4	115.8	-97	174.8	15.5	0	0	109
3075	Q	28.1	Very low	30.1	Very low	149 Å²	149	147.2 Å²	147.2	70%	0.696	75%	0.751	S	S	*	*			cis	-166	171.7	-31.6	-149.2	-172.7	-8.5	0	0	107
3076	I	29.9	Very low	29.9	Very low	131 Å²	131	149.7 Å²	149.7	67%	0.672	76%	0.757	S	S	*	*			trans	71.7	132.8	158.9	-65.2	157.2	0	0	0	115.7
3077	Q	28.1	Very low	29.7	Very low	155 Å²	155	148.1 Å²	148.1	72%	0.724	76%	0.758	S	S	*	*			cis	-164.4	165.5	-15.1	-99.2	-174.4	-55.7	0	0	105.4
3078	E	29.6	Very low	29.6	Very low	150 Å²	150	147.3 Å²	147.3	70%	0.701	76%	0.761	S	S	*	*			cis	-178.3	-177.3	-23.8	-168.7	148.4	-133.8	0	0	105.5
3079	E	37.1	Very low	29.7	Very low	170 Å²	170	146 Å²	146	79%	0.794	76%	0.755	S	S	*	*			trans	72.6	77.7	169.1	-56.8	-172.4	-172.8	0	0	118.8
3080	D	31.2	Very low	29.6	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	75%	0.754	S	S	*	*				81	118.5	102	-72.5	14.3	0	0	0	125.1
3081	I	31	Very low	29.6	Very low	133 Å²	133	148.1 Å²	148.1	68%	0.682	77%	0.765	S	S	*	*				106.6	138.3	118	-78.1	172.9	0	0	0	121.7
3082	E	30.8	Very low	29.5	Very low	164 Å²	164	145 Å²	145	77%	0.766	76%	0.762	S	S	*	*			trans	64.3	84.3	162.5	-81.3	153.5	-139.5	0	0	121.8
3083	E	31.2	Very low	29.3	Very low	173 Å²	173	146.7 Å²	146.7	81%	0.808	77%	0.768	S	S	*	*				42.9	108.2	102.8	-170.6	-179.7	-116.9	0	0	119.1
3084	S	28.5	Very low	29.3	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	77%	0.771	S	S	*	*				173.7	143.7	120.9	-85.8	0	0	0	0	115.1
3085	G	28.8	Very low	29.3	Very low	64 Å²	64	148.5 Å²	148.5	66%	0.66	77%	0.772	S	S	*	*			trans	82	50.2	134.1	0	0	0	0	0	120	T3087	G3085-T3087 PolarHBondContact O-N 3.19Å
3086	L	24.9	Very low	29.3	Very low	179 Å²	179	149.5 Å²	149.5	94%	0.937	78%	0.781	S	S	*	*			trans	-58.9	111.4	156.8	-79.2	171.8	0	0	0	109.5
3087	T	27.1	Very low	29.2	Very low	129 Å²	129	152.1 Å²	152.1	79%	0.791	79%	0.791	S	S	*	*			trans	-96.6	118.6	179.8	30	0	0	0	0	110.4	G3085 N3089	G3085-T3087 PolarHBondContact O-N 3.19Å; T3087-N3089 PolarHBondContact O-N 3.22Å
3088	L	26.8	Very low	29.2	Very low	150 Å²	150	149.8 Å²	149.8	79%	0.785	79%	0.791	S	S	*	*			trans	-65.4	113.8	166.2	-87.9	70.2	0	0	0	108.8	N3090	L3088-N3090 PolarHBondContact O-N 3.17Å
3089	N	29.4	Very low	29.3	Very low	148 Å²	148	149.7 Å²	149.7	79%	0.791	80%	0.795	S	S	*	*			trans	-85	84.2	169.6	47.6	-12	0	0	0	110.3	T3087 N3091	T3087-N3089 PolarHBondContact O-N 3.22Å; N3089-N3091 PolarHBondContact O-N 3.34Å
3090	N	26.9	Very low	28.9	Very low	131 Å²	131	145.9 Å²	145.9	70%	0.701	79%	0.788	S	S	*	*			trans	-52.9	120.7	169.5	-68.7	-25.1	0	0	0	110.9	L3088	L3088-N3090 PolarHBondContact O-N 3.17Å
3091	N	29.2	Very low	28.8	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	80%	0.795	S	S	*	*			trans	-133.8	34.4	166.3	-96.6	-20.5	0	0	0	111.6	N3089 M3093	N3089-N3091 PolarHBondContact O-N 3.34Å; N3091-M3093 PolarHBondContact O-N 3.4Å
3092	T	30.1	Very low	28.8	Very low	130 Å²	130	149.1 Å²	149.1	80%	0.798	80%	0.804	S	S	*	*			trans	-80.7	48.3	-179.8	-36.3	0	0	0	0	112.5
3093	M	25.9	Very low	28.6	Very low	165 Å²	165	150.4 Å²	150.4	81%	0.813	81%	0.807	S	S	*	*			trans	-155.5	91.8	171.8	-87.2	-60.9	176.3	0	0	109.9	N3091	N3091-M3093 PolarHBondContact O-N 3.4Å
3094	N	27.5	Very low	28.4	Very low	157 Å²	157	146.6 Å²	146.6	84%	0.84	80%	0.8	S	S	*	*			trans	174.9	78.4	147.3	-95.7	-2.3	0	0	0	111.1
3095	W	32.7	Very low	28.4	Very low	235 Å²	235	147.7 Å²	147.7	89%	0.89	80%	0.795	S	S	*	*			trans	-135.9	54.2	161.3	-102.1	81	0	0	0	109.9
3096	L	28.3	Very low	28.3	Very low	169 Å²	169	150.6 Å²	150.6	89%	0.885	80%	0.796	S	S	*	*			trans	-136.3	64.3	166.1	-86.6	102.8	0	0	0	109.2
3097	E	27.4	Very low	28.5	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.874	79%	0.785	S	S	*	*			trans	-166.2	64.8	165.7	-119.2	171.4	-147.8	0	0	112.9
3098	S	28.9	Very low	28.5	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	78%	0.782	S	S	*	*	S	Bend	trans	-156.3	67.9	167	-80	0	0	0	0	112.2
3099	N	31.4	Very low	28.7	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	78%	0.777	S	S	*	*			trans	-179.8	98.8	144	-94	-16.2	0	0	0	108
3100	S	29.6	Very low	28.5	Very low	90 Å²	90	143.8 Å²	143.8	63%	0.629	78%	0.775	S	S	*	*			trans	-141.5	122.2	174.3	-74.6	0	0	0	0	108.2	K3102	S3100-K3102 VanDerWaalsContact C-N 3.31Å; S3100-K3102 PolarHBondContact O-N 3.09Å
3101	P	27.9	Very low	28.7	Very low	133 Å²	133	142.7 Å²	142.7	86%	0.864	78%	0.778	S	S	*	*			trans	-73.7	80.7	-171.8	29	-35.4	0	0	0	111.7	K3103	P3101-K3103 VanDerWaalsContact C-N 3.31Å; P3101-K3103 PolarHBondContact O-N 2.86Å
3102	K	30.7	Very low	28.5	Very low	202 Å²	202	139.9 Å²	139.9	88%	0.878	77%	0.77	S	S	*	*			trans	-75	81.4	178.3	-78.2	-176.5	178.7	170	0	111.5	S3100	S3100-K3102 VanDerWaalsContact C-N 3.31Å; S3100-K3102 PolarHBondContact O-N 3.09Å
3103	K	27.5	Very low	28.4	Very low	191 Å²	191	139.2 Å²	139.2	83%	0.83	77%	0.766	S	S	*	*			trans	-64.1	141.2	170.3	-167	177.2	-176.8	170.7	0	111.3	P3101	P3101-K3103 VanDerWaalsContact C-N 3.31Å; P3101-K3103 PolarHBondContact O-N 2.86Å
3104	S	27.3	Very low	28.5	Very low	94 Å²	94	136.9 Å²	136.9	66%	0.657	76%	0.761	S	S	*	*			trans	91.8	140.5	151.6	81.4	0	0	0	0	121.6
3105	I	27.4	Very low	28.5	Very low	138 Å²	138	137.5 Å²	137.5	71%	0.708	76%	0.759	S	S	*	*			trans	90.6	100.5	141.9	-76	160.3	0	0	0	119.3
3106	N	27.3	Very low	28.2	Very low	125 Å²	125	132.2 Å²	132.2	67%	0.668	75%	0.748	S	S	*	*			trans	69.5	149.3	132.9	-63.3	-3.4	0	0	0	119.3
3107	Q	28.6	Very low	28.4	Very low	155 Å²	155	127.1 Å²	127.1	72%	0.724	73%	0.726	S	S	*	*			cis	-162.4	156.5	-1.3	-123.7	165.8	26.3	0	0	109.9
3108	S	27.8	Very low	28.5	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	72%	0.718	S	S	*	*			trans	46.4	144.8	145.9	64.7	0	0	0	0	122
3109	S	30	Very low	28.7	Very low	96 Å²	96	130.5 Å²	130.5	67%	0.671	72%	0.721	S	S	*	*			cis	179.2	147.2	-9.4	48.4	0	0	0	0	110.2
3110	S	27	Very low	28.6	Very low	109 Å²	109	128.7 Å²	128.7	76%	0.762	72%	0.715	S	S	*	*			trans	54.2	150.4	140.1	67.5	0	0	0	0	123.4
3111	S	29.8	Very low	28.9	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	72%	0.722	S	S	*	*			trans	93.6	94.6	151.1	-150.6	0	0	0	0	118.5
3112	S	25.9	Very low	29	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	71%	0.712	S	S	*	*			trans	-32.9	157.7	136.7	51.3	0	0	0	0	116.2
3113	T	27.7	Very low	29.1	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	70%	0.699	S	S	*	*			trans	136.6	98.6	131	-61.9	0	0	0	0	114
3114	V	27.6	Very low	29.5	Very low	117 Å²	117	125.2 Å²	125.2	71%	0.709	70%	0.695	S	S	*	*				51.7	138.9	129.4	-177.6	0	0	0	0	120.7
3115	Q	27.6	Very low	30	Very low	169 Å²	169	127.8 Å²	127.8	79%	0.79	70%	0.7	S	S	*	*			trans	74.2	149.4	160	-87.7	171.8	-17.1	0	0	118.6
3116	D	27	Very low	30.4	Very low	124 Å²	124	125.2 Å²	125.2	66%	0.663	69%	0.694	S	S	*	*			cis	-158.7	150.2	-15.9	-150.2	-8	0	0	0	114.3
3117	S	31.6	Very low	30.9	Very low	62 Å²	62	125.4 Å²	125.4	43%	0.434	70%	0.695	S	S	.	*			trans	59.7	134.9	142.8	83.4	0	0	0	0	125.3
3118	K	30.7	Very low	31.4	Very low	159 Å²	159	123.5 Å²	123.5	69%	0.691	69%	0.694	S	S	*	*			trans	65.6	148.3	149.7	-48.2	138.5	-166.6	140.1	0	117.2
3119	Y	31.7	Very low	31.8	Very low	205 Å²	205	125.4 Å²	125.4	80%	0.804	70%	0.696	S	S	*	*			cis	-138.3	137.5	20.3	-87.7	-101.4	0	0	0	110
3120	T	30.1	Very low	32.3	Very low	110 Å²	110	129.1 Å²	129.1	68%	0.675	70%	0.701	S	S	*	*				72.5	132.8	66.4	-35.2	0	0	0	0	116.1
3121	K	34.8	Very low	32.8	Very low	176 Å²	176	131.2 Å²	131.2	77%	0.765	70%	0.701	S	S	*	*			trans	101.4	146.3	159	-66.7	-157.5	170.4	-163	0	119.6
3122	Q	31.3	Very low	33	Very low	141 Å²	141	132 Å²	132	66%	0.659	70%	0.697	S	S	*	*			cis	-169.6	132.2	-27.4	-150.7	168.6	-18.8	0	0	113.3
3123	S	33.3	Very low	33.4	Very low	87 Å²	87	134 Å²	134	61%	0.608	70%	0.7	S	S	*	*			trans	64.5	159.1	143.2	62.8	0	0	0	0	124.9
3124	N	35	Very low	33.9	Very low	139 Å²	139	132.2 Å²	132.2	74%	0.743	69%	0.693	S	S	*	*			trans	86.8	142.8	155.3	-61.1	-20.6	0	0	0	118.3
3125	I	37.2	Very low	34.3	Very low	148 Å²	148	136.6 Å²	136.6	76%	0.759	70%	0.697	S	S	*	*			cis	-148.1	179.6	1.7	-127.6	162.6	0	0	0	113.2
3126	S	36.3	Very low	34.7	Very low	84 Å²	84	139 Å²	139	59%	0.587	70%	0.698	S	S	*	*			trans	-69.3	-178.7	-174.9	50.1	0	0	0	0	115.4
3127	D	38	Very low	35.3	Very low	128 Å²	128	138.3 Å²	138.3	68%	0.684	70%	0.703	S	S	*	*			cis	-163.4	155.2	40.1	-105.6	-58.9	0	0	0	117
3128	T	38.2	Very low	35.8	Very low	115 Å²	115	139.6 Å²	139.6	71%	0.706	71%	0.712	S	S	*	*			trans	50.1	126.7	155.1	58.8	0	0	0	0	122.2
3129	D	36.4	Very low	36.2	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	72%	0.724	S	S	*	*				87.1	109.6	53.1	-106.8	-16.3	0	0	0	116.2
3130	K	40.3	Very low	36.3	Very low	175 Å²	175	136.3 Å²	136.3	76%	0.761	73%	0.725	S	S	*	*				163	129.3	117.5	-91.2	159.1	-173.9	164.5	0	117.4
3131	I	37.8	Very low	36.5	Very low	152 Å²	152	134.5 Å²	134.5	78%	0.779	73%	0.727	S	S	*	*			trans	68.1	147.9	131.3	-66.7	169.2	0	0	0	120
3132	N	33.8	Very low	36.4	Very low	126 Å²	126	137.6 Å²	137.6	67%	0.674	73%	0.734	S	S	*	*			cis	-171.2	155	-35.5	-154.5	-13.4	0	0	0	109.5
3133	N	34.1	Very low	36.7	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	74%	0.739	S	S	*	*			trans	6.4	130.7	156.7	-84.5	-68.6	0	0	0	120.9
3134	S	39.1	Very low	36.6	Very low	79 Å²	79	140.7 Å²	140.7	55%	0.552	75%	0.748	S	S	*	*				167.8	129.3	103.9	-83.5	0	0	0	0	117.3
3135	R	35.4	Very low	36.6	Very low	209 Å²	209	137.7 Å²	137.7	79%	0.789	75%	0.75	S	S	*	*				63	160.8	128.3	-56.9	168.3	-167.7	178.7	2.2	118.6
3136	R	36.9	Very low	36.5	Very low	218 Å²	218	136.5 Å²	136.5	82%	0.823	75%	0.752	S	S	*	*			cis	-172.8	159.7	-21.9	-103.7	177.5	175.4	177.8	-2.7	106.1
3137	S	39.2	Very low	36.1	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	77%	0.766	S	S	*	*			trans	70.3	145.9	148.8	160.7	0	0	0	0	118
3138	S	41.3	Very low	35.8	Very low	90 Å²	90	141.1 Å²	141.1	63%	0.629	77%	0.77	S	S	*	*			cis	-170.2	158.6	-13.1	-77.8	0	0	0	0	109.9
3139	K	39.4	Very low	35.6	Very low	216 Å²	216	140.8 Å²	140.8	94%	0.939	77%	0.773	S	S	*	*			trans	67.4	150	165.3	-61.7	163	179.8	177.4	0	115.9
3140	G	34.3	Very low	35.4	Very low	79 Å²	79	145.5 Å²	145.5	81%	0.814	78%	0.78	S	S	*	*			cis	164.8	150.7	-9.6	0	0	0	0	0	113.9
3141	G	34.7	Very low	35.3	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	78%	0.78	S	S	*	*			trans	106.9	120	-178.5	0	0	0	0	0	111.9
3142	R	32.4	Very low	35.1	Very low	241 Å²	241	139.9 Å²	139.9	91%	0.909	78%	0.776	S	S	*	*				61.6	100.7	66.3	-79.7	-168.8	162.8	-151.3	-3.8	111.1
3143	L	37.9	Very low	35.2	Very low	144 Å²	144	140.4 Å²	140.4	75%	0.754	78%	0.779	S	S	*	*				-169.8	146.8	62.3	-89.5	150.5	0	0	0	112.8
3144	N	31.2	Very low	35.4	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	78%	0.78	S	S	*	*			trans	46.8	103.8	149.9	-58.1	1	0	0	0	121.3
3145	G	35.4	Very low	35.4	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	80%	0.795	S	S	*	*			trans	84.1	162.8	166.5	0	0	0	0	0	114.8
3146	P	33.9	Very low	35.4	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	80%	0.8	S	S	*	*			cis	-127.6	179.6	1	43.5	-29.5	0	0	0	114.5	G3148	P3146-G3148 PolarHBondContact O-N 2.87Å
3147	R	28.5	Very low	35.3	Very low	234 Å²	234	141.5 Å²	141.5	88%	0.883	80%	0.795	S	S	*	*			trans	32.6	84.8	136.5	-161.5	-176.9	-154.8	170.1	5.8	117.7
3148	G	32	Very low	35.4	Very low	76 Å²	76	143.8 Å²	143.8	78%	0.784	80%	0.798	S	S	*	*			trans	-85.9	123.9	150.8	0	0	0	0	0	108.8	P3146	P3146-G3148 PolarHBondContact O-N 2.87Å
3149	S	33.8	Very low	35.8	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	80%	0.8	S	S	*	*			cis	83.6	86.2	48.4	-64	0	0	0	0	113.5
3150	R	31.6	Very low	36.9	Very low	241 Å²	241	141 Å²	141	91%	0.909	79%	0.792	S	S	*	*			trans	17.6	119.5	135.4	-71.9	172.7	160.5	159.9	-8.3	116.5
3151	S	39.3	Very low	38.7	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	78%	0.778	S	S	*	*			trans	-132.6	96.1	130.9	-162.3	0	0	0	0	108.2
3152	S	33.3	Very low	41.2	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	78%	0.776	S	S	*	*			trans	-80.7	125.3	166.6	49.6	0	0	0	0	108.3
3153	N	34.8	Very low	44	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	75%	0.745	S	S	*	*			trans	-149.1	150.3	164.3	-85.8	-39.8	0	0	0	108.6
3154	N	39.8	Very low	46.7	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	71%	0.714	S	S	*	*			trans	78.5	60.7	177.8	-55.1	20.4	0	0	0	115.5
3155	E	39.1	Very low	49.8	Very low	184 Å²	184	126.5 Å²	126.5	86%	0.86	69%	0.688	S	S	*	*				31.7	104.2	112.1	-61.6	174.7	131.9	0	0	117.8	N3157	E3155-N3157 PolarHBondContact O-N 3.21Å
3156	K	34	Very low	52.8	Low	204 Å²	204	122.9 Å²	122.9	89%	0.887	65%	0.651	S	S	*	*			trans	-1.4	111	141.9	-54.9	176.8	179.1	-172.5	0	116.1
3157	N	36.4	Very low	55.8	Low	135 Å²	135	118 Å²	118	72%	0.722	62%	0.617	S	S	*	*				-78.6	150.2	128.4	-88	-3.7	0	0	0	108.2	E3155 D3159	E3155-N3157 PolarHBondContact O-N 3.21Å; N3157-D3159 VanDerWaalsContact CB-OD1 3.3Å; N3157-D3159 WeakPolarHBondContact CB-OD1 3.37Å
3158	D	39.4	Very low	59.1	Low	157 Å²	157	106.9 Å²	106.9	84%	0.84	58%	0.575	S	S	*	*			trans	-96.8	84.3	167.7	-161.6	25.8	0	0	0	105.9	T3160	D3158-T3160 PolarHBondContact O-N 3.07Å
3159	D	51.2	Low	62.1	Low	126 Å²	126	105.3 Å²	105.3	67%	0.674	55%	0.549	S	S	*	.			trans	-68.6	99.5	-169.4	-70.4	-34.2	0	0	0	110.1	N3157 I3161	N3157-D3159 VanDerWaalsContact CB-OD1 3.3Å; N3157-D3159 WeakPolarHBondContact CB-OD1 3.37Å; D3159-I3161 PolarHBondContact O-N 2.78Å
3160	T	63	Low	65.1	Low	123 Å²	123	100.2 Å²	100.2	76%	0.755	51%	0.513	S	S	*	.			trans	-68.5	93.6	177.3	50.6	0	0	0	0	110	D3158 E3162	D3158-T3160 PolarHBondContact O-N 3.07Å; T3160-E3162 PolarHBondContact O-N 2.91Å; T3160-E3162 VanDerWaalsContact O-N 3.13Å
3161	I	71.7	Confident	68	Low	102 Å²	102	91.5 Å²	91.5	52%	0.523	49%	0.487	S	S	.	.			trans	-56	116	176.2	-59.3	174.9	0	0	0	109.2	D3159 Y3163 P3190	D3159-I3161 PolarHBondContact O-N 2.78Å; I3161-Y3163 HydrophobicContact CB-CE1 4.5Å; I3161-Y3163 HydrophobicContact CB-CE2 4.08Å; I3161-Y3163 HydrophobicContact CG2-CD1 4.14Å; I3161-Y3163 HydrophobicContact CG2-CD2 4.39Å; I3161-Y3163 HydrophobicContact CG2-CE1 3.97Å; I3161-Y3163 HydrophobicContact CG2-CE2 4.2Å; I3161-Y3163 HydrophobicContact CG2-CG 4.35Å; I3161-Y3163 WeakPolarHBondContact O-CD2 3.31Å; I3161-Y3163 VanDerWaalsContact O-CE2 3.25Å; I3161-Y3163 WeakPolarHBondContact O-CE2 3.08Å; I3161-Y3163 PolarHBondContact O-N 3.23Å; I3161-P3190 HydrophobicContact CG2-CB 4.37Å
3162	E	85.7	Confident	70.6	Confident	149 Å²	149	88.1 Å²	88.1	70%	0.696	46%	0.458	S	S	*	.			trans	-79.1	107.3	168.5	-66.3	-174	-177.2	0	0	108.1	T3160 G3164	T3160-E3162 PolarHBondContact O-N 2.91Å; T3160-E3162 VanDerWaalsContact O-N 3.13Å; E3162-G3164 VanDerWaalsContact C-N 3.25Å; E3162-G3164 PolarHBondContact O-N 3.45Å
3163	Y	91.7	Very high	73.3	Confident	65 Å²	65	87 Å²	87	26%	0.255	44%	0.444	S	S	.	.			trans	-79.5	-4.9	-177.1	-62.7	-90	0	0	0	113.6	I3161 F3265 M3266 L3288	I3161-Y3163 HydrophobicContact CB-CE1 4.5Å; I3161-Y3163 HydrophobicContact CB-CE2 4.08Å; I3161-Y3163 HydrophobicContact CG2-CD1 4.14Å; I3161-Y3163 HydrophobicContact CG2-CD2 4.39Å; I3161-Y3163 HydrophobicContact CG2-CE1 3.97Å; I3161-Y3163 HydrophobicContact CG2-CE2 4.2Å; I3161-Y3163 HydrophobicContact CG2-CG 4.35Å; I3161-Y3163 WeakPolarHBondContact O-CD2 3.31Å; I3161-Y3163 VanDerWaalsContact O-CE2 3.25Å; I3161-Y3163 WeakPolarHBondContact O-CE2 3.08Å; I3161-Y3163 PolarHBondContact O-N 3.23Å; Y3163-F3265 HydrophobicContact CD1-CE1 4.39Å; Y3163-F3265 HydrophobicContact CE1-CE1 4.12Å; Y3163-M3266 WeakPolarHBondContact CD1-O 3.43Å; Y3163-L3288 WeakPolarHBondContact O-CB 3.25Å; Y3163-L3288 VanDerWaalsContact O-CD1 3.32Å; Y3163-L3288 WeakPolarHBondContact O-CD1 3.27Å
3164	G	94.3	Very high	75.9	Confident	11 Å²	11	84.4 Å²	84.4	11%	0.113	43%	0.43	C	S	.	.			trans	81.9	-160.8	-179.6	0	0	0	0	0	115	E3162 R3187 N3188 L3288	E3162-G3164 VanDerWaalsContact C-N 3.25Å; E3162-G3164 PolarHBondContact O-N 3.45Å; G3164-R3187 CarbonylContact C-O 3.54Å; G3164-R3187 VanDerWaalsContact CA-O 3.28Å; G3164-R3187 WeakPolarHBondContact CA-O 3.49Å; G3164-N3188 WeakPolarHBondContact CA-O 3.49Å; G3164-N3188 PolarHBondContact N-O 3.06Å; G3164-L3288 WeakPolarHBondContact O-CB 3.49Å; G3164-L3288 PolarHBondContact O-N 2.66Å
3165	E	96.8	Very high	78.1	Confident	53 Å²	53	87.1 Å²	87.1	25%	0.248	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.6	-178.7	-50.7	-171.5	108.2	0	0	111.4	A3186 R3187 W3285 F3286 S3287	E3165-A3186 CarbonylContact O-C 3.42Å; E3165-A3186 WeakPolarHBondContact O-CA 3.42Å; E3165-A3186 WeakPolarHBondContact O-CB 3.28Å; E3165-R3187 HydrophobicContact CB-CG 4.25Å; E3165-R3187 PolarHBondContact N-O 3.39Å; E3165-R3187 PolarHBondContact O-N 3.07Å; E3165-R3187 IonicContact OE2-CZ 3.41Å; E3165-R3187 IonicContact OE2-NE 3.82Å; E3165-R3187 PolarHBondContact OE2-NE 2.84Å; E3165-R3187 IonicContact OE2-NH2 2.83Å; E3165-R3187 PolarHBondContact OE2-NH2 3.13Å; E3165-W3285 HydrophobicContact CB-CE3 3.83Å; E3165-W3285 HydrophobicContact CB-CZ3 4.34Å; E3165-F3286 WeakPolarHBondContact CA-O 3.37Å; E3165-S3287 PolarHBondContact OE1-OG 3.16Å; E3165-S3287 VanDerWaalsContact OE1-OG 3.11Å
3166	I	97.6	Very high	80.3	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.7	179	-169	167.4	0	0	0	111.3	L3168 V3183 A3186 V3202 W3231 V3252 V3254 T3269 W3285 F3286 L3288	I3166-L3168 HydrophobicContact CD1-CD2 3.93Å; I3166-L3168 HydrophobicContact CG1-CD2 3.92Å; I3166-L3168 HydrophobicContact CG1-CG 4.32Å; I3166-L3168 HydrophobicContact CG2-CD1 4.44Å; I3166-L3168 HydrophobicContact CG2-CG 4.37Å; I3166-V3183 HydrophobicContact CD1-CG1 4.25Å; I3166-A3186 HydrophobicContact CB-CB 4.31Å; I3166-A3186 HydrophobicContact CG1-CB 4.28Å; I3166-V3202 HydrophobicContact CD1-CG1 4.14Å; I3166-V3202 HydrophobicContact CD1-CG2 3.9Å; I3166-W3231 HydrophobicContact CD1-CZ3 4.1Å; I3166-W3231 HydrophobicContact CG1-CZ3 4.44Å; I3166-V3252 HydrophobicContact CD1-CG1 4.11Å; I3166-V3254 HydrophobicContact CD1-CG2 4.17Å; I3166-T3269 HydrophobicContact CG2-CG2 4Å; I3166-W3285 WeakPolarHBondContact O-CA 3.39Å; I3166-F3286 HydrophobicContact CG2-CB 4.14Å; I3166-F3286 PolarHBondContact N-O 2.69Å; I3166-F3286 PolarHBondContact O-N 2.79Å; I3166-L3288 HydrophobicContact CB-CD1 4.43Å; I3166-L3288 HydrophobicContact CB-CD2 4.41Å; I3166-L3288 HydrophobicContact CG2-CD2 3.88Å; I3166-L3288 HydrophobicContact CG2-CG 4.3Å
3167	E	97.7	Very high	82.8	Confident	19 Å²	19	77.5 Å²	77.5	9%	0.089	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.6	175.4	-164.7	172.1	-134.5	0	0	109.9	A3184 R3185 P3283 H3284 W3285	E3167-A3184 PolarHBondContact O-N 3.26Å; E3167-R3185 HydrophobicContact CB-CG 4.09Å; E3167-R3185 PolarHBondContact N-O 3.22Å; E3167-R3185 IonicContact OE1-NH2 3.98Å; E3167-R3185 IonicContact OE2-CZ 2.74Å; E3167-R3185 IonicContact OE2-NE 2.77Å; E3167-R3185 PolarHBondContact OE2-NE 3.42Å; E3167-R3185 IonicContact OE2-NH2 3.97Å; E3167-R3185 PolarHBondContact OE2-NH2 2.9Å; E3167-P3283 HydrophobicContact CG-CB 3.85Å; E3167-H3284 WeakPolarHBondContact CA-O 3.21Å; E3167-W3285 HydrophobicContact CB-CD2 3.86Å; E3167-W3285 HydrophobicContact CB-CE3 3.97Å; E3167-W3285 HydrophobicContact CB-CH2 3.87Å; E3167-W3285 HydrophobicContact CB-CZ2 3.75Å; E3167-W3285 HydrophobicContact CB-CZ3 3.96Å; E3167-W3285 VanDerWaalsContact CD-CE2 3.44Å; E3167-W3285 VanDerWaalsContact CD-CZ2 3.5Å; E3167-W3285 VanDerWaalsContact CD-NE1 3.28Å; E3167-W3285 HydrophobicContact CG-CD2 4.19Å; E3167-W3285 HydrophobicContact CG-CG 4.45Å; E3167-W3285 HydrophobicContact CG-CZ2 4.08Å; E3167-W3285 PolarHBondContact OE1-NE1 3.18Å; E3167-W3285 WeakPolarHBondContact OE2-CZ2 3.44Å
3168	L	97.3	Very high	85.4	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.2	-179.7	-54.2	174	0	0	0	110.1	I3166 L3170 H3182 V3183 V3252 I3271 H3284 F3286	I3166-L3168 HydrophobicContact CD1-CD2 3.93Å; I3166-L3168 HydrophobicContact CG1-CD2 3.92Å; I3166-L3168 HydrophobicContact CG1-CG 4.32Å; I3166-L3168 HydrophobicContact CG2-CD1 4.44Å; I3166-L3168 HydrophobicContact CG2-CG 4.37Å; L3168-L3170 HydrophobicContact CB-CD2 4.23Å; L3168-H3182 WeakPolarHBondContact CA-O 3.46Å; L3168-V3183 HydrophobicContact CD2-CB 4.24Å; L3168-V3183 HydrophobicContact CD2-CG1 4.19Å; L3168-V3183 HydrophobicContact CD2-CG2 4.02Å; L3168-V3252 HydrophobicContact CD1-CG1 4.38Å; L3168-V3252 HydrophobicContact CD1-CG2 3.96Å; L3168-I3271 HydrophobicContact CD1-CD1 3.72Å; L3168-H3284 PolarHBondContact N-O 2.95Å; L3168-H3284 PolarHBondContact O-N 2.93Å; L3168-F3286 HydrophobicContact CB-CD2 4.1Å; L3168-F3286 HydrophobicContact CB-CE2 3.94Å; L3168-F3286 HydrophobicContact CD1-CD2 3.91Å; L3168-F3286 HydrophobicContact CD1-CE2 4.2Å; L3168-F3286 HydrophobicContact CG-CD2 4.09Å; L3168-F3286 HydrophobicContact CG-CE2 4.38Å
3169	I	96.5	Very high	87.8	Confident	44 Å²	44	64.2 Å²	64.2	23%	0.226	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.3	167.2	-42.5	176.7	0	0	0	107.2	H3182 G3281 P3283	I3169-H3182 HydrophobicContact CB-CB 4.02Å; I3169-H3182 HydrophobicContact CD1-CB 4.49Å; I3169-H3182 HydrophobicContact CG1-CB 4.35Å; I3169-H3182 PolarHBondContact N-O 2.94Å; I3169-H3182 PolarHBondContact O-N 3.08Å; I3169-G3281 VanDerWaalsContact CG2-C 3.42Å; I3169-G3281 VanDerWaalsContact CG2-O 3.3Å; I3169-G3281 WeakPolarHBondContact CG2-O 3.48Å; I3169-P3283 HydrophobicContact CG1-CB 4.17Å
3170	L	95.4	Very high	89.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.7	175	-41.8	-179.6	0	0	0	109.4	L3168 T3180 V3181 L3250 I3271 L3273 Y3278 L3279 G3281	L3168-L3170 HydrophobicContact CB-CD2 4.23Å; L3170-T3180 WeakPolarHBondContact CA-O 3.49Å; L3170-V3181 HydrophobicContact CD2-CB 4.21Å; L3170-V3181 HydrophobicContact CD2-CG1 3.76Å; L3170-V3181 HydrophobicContact CD2-CG2 4.06Å; L3170-L3250 HydrophobicContact CD1-CD2 4.41Å; L3170-L3250 HydrophobicContact CD2-CD2 3.91Å; L3170-I3271 HydrophobicContact CD1-CD1 4.46Å; L3170-I3271 HydrophobicContact CD1-CG2 4.07Å; L3170-L3273 HydrophobicContact CD1-CD2 4.48Å; L3170-Y3278 WeakPolarHBondContact CB-O 2.99Å; L3170-L3279 HydrophobicContact CB-CD2 3.91Å; L3170-L3279 HydrophobicContact CD1-CD2 4.33Å; L3170-L3279 CarbonylContact O-C 3.37Å; L3170-G3281 PolarHBondContact O-N 3.16Å
3171	T	93.5	Very high	91.3	Very high	58 Å²	58	53.9 Å²	53.9	36%	0.356	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.7	171.5	43	0	0	0	0	108.6	T3180 G3281	T3171-T3180 PolarHBondContact N-O 3.14Å; T3171-T3180 PolarHBondContact O-N 3.01Å; T3171-T3180 VanDerWaalsContact OG1-CB 3.29Å; T3171-T3180 WeakPolarHBondContact OG1-CB 3.45Å; T3171-T3180 PolarHBondContact OG1-O 2.92Å; T3171-G3281 VanDerWaalsContact CG2-CA 3.5Å
3172	F	92.8	Very high	92.5	Very high	38 Å²	38	51 Å²	51	17%	0.167	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.4	178.2	174.8	-106	0	0	0	109.8	D3174 S3178 L3179 C3240 K3242 L3245 L3279	F3172-D3174 WeakPolarHBondContact CE1-OD1 3.39Å; F3172-S3178 WeakPolarHBondContact CA-O 3.37Å; F3172-S3178 WeakPolarHBondContact CD2-O 3.49Å; F3172-S3178 WeakPolarHBondContact CE2-O 3.43Å; F3172-L3179 HydrophobicContact CB-CD1 4.29Å; F3172-L3179 HydrophobicContact CD2-CB 4.3Å; F3172-L3179 HydrophobicContact CD2-CD1 4.45Å; F3172-C3240 HydrophobicContact CD2-CB 4.45Å; F3172-C3240 HydrophobicContact CE2-CB 3.87Å; F3172-C3240 WeakPolarHBondContact CE2-O 3.15Å; F3172-C3240 WeakPolarHBondContact CZ-O 3.14Å; F3172-K3242 HydrophobicContact CE1-CB 3.93Å; F3172-K3242 HydrophobicContact CE1-CG 4.08Å; F3172-K3242 HydrophobicContact CZ-CB 4.24Å; F3172-L3245 HydrophobicContact CD1-CD1 3.53Å; F3172-L3245 HydrophobicContact CD2-CD1 3.69Å; F3172-L3245 HydrophobicContact CD2-CD2 4.34Å; F3172-L3245 HydrophobicContact CE1-CD1 3.61Å; F3172-L3245 HydrophobicContact CE2-CD1 3.83Å; F3172-L3245 HydrophobicContact CE2-CD2 4.41Å; F3172-L3245 HydrophobicContact CE2-CG 4.43Å; F3172-L3245 HydrophobicContact CG-CD1 3.57Å; F3172-L3245 HydrophobicContact CZ-CD1 3.79Å; F3172-L3279 HydrophobicContact CB-CD1 4.44Å; F3172-L3279 HydrophobicContact CB-CD2 4.5Å
3173	D	90.7	Very high	93	Very high	75 Å²	75	43.9 Å²	43.9	40%	0.401	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.3	174.4	-152.6	-56	0	0	0	111.4	Y3175 D3176 Q3177 S3178	D3173-Y3175 VanDerWaalsContact OD1-CB 3.27Å; D3173-Y3175 WeakPolarHBondContact OD1-CB 3.39Å; D3173-Y3175 PolarHBondContact OD1-N 3.3Å; D3173-D3176 HydrophobicContact CB-CB 4.39Å; D3173-Q3177 VanDerWaalsContact O-CA 3.28Å; D3173-Q3177 WeakPolarHBondContact O-CA 3.05Å; D3173-Q3177 PolarHBondContact O-N 3.1Å; D3173-S3178 PolarHBondContact N-O 3.2Å; D3173-S3178 PolarHBondContact O-N 2.87Å
3174	D	88.7	Confident	93.2	Very high	84 Å²	84	41.1 Å²	41.1	45%	0.449	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-28	177	-81.3	-59.4	0	0	0	113.4	F3172 K3242	F3172-D3174 WeakPolarHBondContact CE1-OD1 3.39Å; D3174-K3242 WeakPolarHBondContact OD1-CB 3.34Å; D3174-K3242 WeakPolarHBondContact OD1-CD 3.39Å; D3174-K3242 WeakPolarHBondContact OD1-CE 3.38Å; D3174-K3242 VanDerWaalsContact OD1-CG 3.26Å; D3174-K3242 WeakPolarHBondContact OD1-CG 3.47Å; D3174-K3242 IonicContact OD1-NZ 3.74Å; D3174-K3242 PolarHBondContact OD1-NZ 3.11Å; D3174-K3242 IonicContact OD2-NZ 3.35Å; D3174-K3242 PolarHBondContact OD2-NZ 2.9Å
3175	Y	86.5	Confident	93.4	Very high	202 Å²	202	45.3 Å²	45.3	79%	0.792	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-59.6	-174.3	-173.5	-100.2	0	0	0	110.3	D3173 Q3177	D3173-Y3175 VanDerWaalsContact OD1-CB 3.27Å; D3173-Y3175 WeakPolarHBondContact OD1-CB 3.39Å; D3173-Y3175 PolarHBondContact OD1-N 3.3Å; Y3175-Q3177 PolarHBondContact O-N 2.84Å
3176	D	84.6	Confident	93.4	Very high	106 Å²	106	42.9 Å²	42.9	57%	0.567	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.6	176	-63.9	-18.2	0	0	0	112.9	D3173 S3178	D3173-D3176 HydrophobicContact CB-CB 4.39Å; D3176-S3178 VanDerWaalsContact C-N 3.26Å; D3176-S3178 PolarHBondContact O-N 3.42Å
3177	Q	88.2	Confident	93.3	Very high	79 Å²	79	47 Å²	47	37%	0.369	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	46.5	-170.9	-59.8	163.9	86.9	0	0	110.5	D3173 Y3175 N3239 C3240	D3173-Q3177 VanDerWaalsContact O-CA 3.28Å; D3173-Q3177 WeakPolarHBondContact O-CA 3.05Å; D3173-Q3177 PolarHBondContact O-N 3.1Å; Y3175-Q3177 PolarHBondContact O-N 2.84Å; Q3177-N3239 PolarHBondContact O-N 2.75Å; Q3177-C3240 WeakPolarHBondContact O-CA 3.49Å; Q3177-C3240 WeakPolarHBondContact O-CB 3.1Å; Q3177-C3240 PolarHBondContact O-N 2.72Å
3178	S	89.7	Confident	93.2	Very high	13 Å²	13	51 Å²	51	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.8	-173.3	66.3	0	0	0	0	111.2	F3172 D3173 D3176 F3237	F3172-S3178 WeakPolarHBondContact CA-O 3.37Å; F3172-S3178 WeakPolarHBondContact CD2-O 3.49Å; F3172-S3178 WeakPolarHBondContact CE2-O 3.43Å; D3173-S3178 PolarHBondContact N-O 3.2Å; D3173-S3178 PolarHBondContact O-N 2.87Å; D3176-S3178 VanDerWaalsContact C-N 3.26Å; D3176-S3178 PolarHBondContact O-N 3.42Å; S3178-F3237 WeakPolarHBondContact CA-O 3.12Å
3179	L	91.2	Very high	93.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112	170.5	176.9	73.2	0	0	0	108.7	F3172 V3181 L3206 F3237 C3240 L3250 L3273 L3279	F3172-L3179 HydrophobicContact CB-CD1 4.29Å; F3172-L3179 HydrophobicContact CD2-CB 4.3Å; F3172-L3179 HydrophobicContact CD2-CD1 4.45Å; L3179-V3181 HydrophobicContact CD2-CG2 4.38Å; L3179-V3181 HydrophobicContact CG-CG2 4.18Å; L3179-L3206 HydrophobicContact CD2-CD1 3.94Å; L3179-L3206 HydrophobicContact CD2-CD2 4.47Å; L3179-F3237 HydrophobicContact CB-CB 4.34Å; L3179-F3237 HydrophobicContact CD2-CD2 4.46Å; L3179-F3237 PolarHBondContact N-O 2.85Å; L3179-F3237 PolarHBondContact O-N 2.85Å; L3179-C3240 HydrophobicContact CB-CB 3.99Å; L3179-C3240 VanDerWaalsContact CB-SG 3.6Å; L3179-L3250 HydrophobicContact CD2-CD1 4.19Å; L3179-L3273 HydrophobicContact CD1-CD2 4.11Å; L3179-L3273 HydrophobicContact CD2-CD1 3.58Å; L3179-L3273 HydrophobicContact CD2-CD2 3.94Å; L3179-L3273 HydrophobicContact CD2-CG 4.43Å; L3179-L3279 HydrophobicContact CD1-CD2 3.82Å
3180	T	92.8	Very high	93	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.9	-177.4	-69.5	0	0	0	0	109.8	L3170 T3171 T3234 V3236	L3170-T3180 WeakPolarHBondContact CA-O 3.49Å; T3171-T3180 PolarHBondContact N-O 3.14Å; T3171-T3180 PolarHBondContact O-N 3.01Å; T3171-T3180 VanDerWaalsContact OG1-CB 3.29Å; T3171-T3180 WeakPolarHBondContact OG1-CB 3.45Å; T3171-T3180 PolarHBondContact OG1-O 2.92Å; T3180-T3234 HydrophobicContact CG2-CG2 3.53Å; T3180-V3236 HydrophobicContact CG2-CG2 4.36Å
3181	V	94.8	Very high	92.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	101.4	-173.9	-178.8	0	0	0	0	108.1	L3170 L3179 V3183 V3204 V3235 F3237 L3250	L3170-V3181 HydrophobicContact CD2-CB 4.21Å; L3170-V3181 HydrophobicContact CD2-CG1 3.76Å; L3170-V3181 HydrophobicContact CD2-CG2 4.06Å; L3179-V3181 HydrophobicContact CD2-CG2 4.38Å; L3179-V3181 HydrophobicContact CG-CG2 4.18Å; V3181-V3183 HydrophobicContact CG1-CG2 4.47Å; V3181-V3204 HydrophobicContact CG1-CG1 4.29Å; V3181-V3235 HydrophobicContact CB-CB 4.26Å; V3181-V3235 PolarHBondContact N-O 2.94Å; V3181-V3235 PolarHBondContact O-N 3.47Å; V3181-F3237 HydrophobicContact CG2-CD2 4.23Å; V3181-F3237 HydrophobicContact CG2-CE2 4.19Å; V3181-L3250 HydrophobicContact CG1-CD2 4Å; V3181-L3250 HydrophobicContact CG2-CD1 4.06Å; V3181-L3250 HydrophobicContact CG2-CD2 3.82Å
3182	H	96.1	Very high	92.8	Very high	41 Å²	41	53 Å²	53	19%	0.19	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116.2	171.8	-172.8	75.7	0	0	0	109.8	L3168 I3169 A3184 Q3232 T3234	L3168-H3182 WeakPolarHBondContact CA-O 3.46Å; I3169-H3182 HydrophobicContact CB-CB 4.02Å; I3169-H3182 HydrophobicContact CD1-CB 4.49Å; I3169-H3182 HydrophobicContact CG1-CB 4.35Å; I3169-H3182 PolarHBondContact N-O 2.94Å; I3169-H3182 PolarHBondContact O-N 3.08Å; H3182-A3184 PolarHBondContact O-N 3.31Å; H3182-Q3232 VanDerWaalsContact CE1-C 3.4Å; H3182-T3234 PolarHBondContact ND1-OG1 3.32Å
3183	V	96.7	Very high	92.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	99	172	-176.6	0	0	0	0	107.4	I3166 L3168 V3181 V3202 V3204 T3220 W3231 Q3232 Q3233	I3166-V3183 HydrophobicContact CD1-CG1 4.25Å; L3168-V3183 HydrophobicContact CD2-CB 4.24Å; L3168-V3183 HydrophobicContact CD2-CG1 4.19Å; L3168-V3183 HydrophobicContact CD2-CG2 4.02Å; V3181-V3183 HydrophobicContact CG1-CG2 4.47Å; V3183-V3202 HydrophobicContact CG1-CB 4.19Å; V3183-V3202 HydrophobicContact CG1-CG1 4.36Å; V3183-V3202 HydrophobicContact CG1-CG2 3.85Å; V3183-V3204 HydrophobicContact CG2-CG2 4.12Å; V3183-T3220 HydrophobicContact CB-CG2 4.01Å; V3183-T3220 HydrophobicContact CG1-CG2 3.96Å; V3183-T3220 HydrophobicContact CG2-CG2 4.29Å; V3183-W3231 HydrophobicContact CG1-CD2 4.34Å; V3183-W3231 HydrophobicContact CG1-CE3 3.73Å; V3183-W3231 HydrophobicContact CG1-CZ3 4.25Å; V3183-Q3232 WeakPolarHBondContact O-CA 3.22Å; V3183-Q3232 PolarHBondContact O-N 3.33Å; V3183-Q3233 PolarHBondContact N-O 3.22Å; V3183-Q3233 PolarHBondContact O-N 3.31Å
3184	A	95.9	Very high	92.5	Very high	8 Å²	8	59 Å²	59	7%	0.066	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-79.7	179.1	0	0	0	0	0	109.9	E3167 H3182 E3230 W3231 Q3232	E3167-A3184 PolarHBondContact O-N 3.26Å; H3182-A3184 PolarHBondContact O-N 3.31Å; A3184-E3230 CarbonylContact O-C 3.53Å; A3184-W3231 PolarHBondContact O-N 2.71Å; A3184-Q3232 PolarHBondContact O-N 2.9Å; A3184-Q3232 PolarHBondContact O-OE1 2.83Å
3185	R	97.3	Very high	92.5	Very high	98 Å²	98	58.4 Å²	58.4	37%	0.37	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.6	-168.7	58.7	179.4	173.1	-161	-9.8	112.5	E3167 P3229 E3230 W3285	E3167-R3185 HydrophobicContact CB-CG 4.09Å; E3167-R3185 PolarHBondContact N-O 3.22Å; E3167-R3185 IonicContact OE1-NH2 3.98Å; E3167-R3185 IonicContact OE2-CZ 2.74Å; E3167-R3185 IonicContact OE2-NE 2.77Å; E3167-R3185 PolarHBondContact OE2-NE 3.42Å; E3167-R3185 IonicContact OE2-NH2 3.97Å; E3167-R3185 PolarHBondContact OE2-NH2 2.9Å; R3185-P3229 CarbonylContact C-O 3.58Å; R3185-P3229 WeakPolarHBondContact CA-O 3.42Å; R3185-P3229 WeakPolarHBondContact CB-O 3.45Å; R3185-E3230 HydrophobicContact CB-CB 4.23Å; R3185-E3230 HydrophobicContact CB-CG 4.27Å; R3185-W3285 HydrophobicContact CG-CH2 4.09Å
3186	A	97.5	Very high	92.6	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	165.6	167.9	0	0	0	0	0	111.7	E3165 I3166 L3189 T3228 P3229 W3231	E3165-A3186 CarbonylContact O-C 3.42Å; E3165-A3186 WeakPolarHBondContact O-CA 3.42Å; E3165-A3186 WeakPolarHBondContact O-CB 3.28Å; I3166-A3186 HydrophobicContact CB-CB 4.31Å; I3166-A3186 HydrophobicContact CG1-CB 4.28Å; A3186-L3189 HydrophobicContact CB-CD1 4.06Å; A3186-L3189 HydrophobicContact CB-CD2 4.01Å; A3186-L3189 HydrophobicContact CB-CG 4.09Å; A3186-T3228 CarbonylContact O-C 3.6Å; A3186-T3228 VanDerWaalsContact O-CA 3.28Å; A3186-T3228 WeakPolarHBondContact O-CA 3.12Å; A3186-P3229 HydrophobicContact CB-CG 3.98Å; A3186-P3229 PolarHBondContact N-O 2.97Å; A3186-W3231 HydrophobicContact CB-CH2 3.88Å; A3186-W3231 HydrophobicContact CB-CZ3 3.74Å
3187	R	96.1	Very high	92.9	Very high	86 Å²	86	48.8 Å²	48.8	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.1	175.2	71.1	-175.2	173.1	-145.9	0.1	111.6	G3164 E3165 L3189 T3228 W3285	G3164-R3187 CarbonylContact C-O 3.54Å; G3164-R3187 VanDerWaalsContact CA-O 3.28Å; G3164-R3187 WeakPolarHBondContact CA-O 3.49Å; E3165-R3187 HydrophobicContact CB-CG 4.25Å; E3165-R3187 PolarHBondContact N-O 3.39Å; E3165-R3187 PolarHBondContact O-N 3.07Å; E3165-R3187 IonicContact OE2-CZ 3.41Å; E3165-R3187 IonicContact OE2-NE 3.82Å; E3165-R3187 PolarHBondContact OE2-NE 2.84Å; E3165-R3187 IonicContact OE2-NH2 2.83Å; E3165-R3187 PolarHBondContact OE2-NH2 3.13Å; R3187-L3189 PolarHBondContact O-N 3.13Å; R3187-T3228 HydrophobicContact CB-CG2 4.4Å; R3187-W3285 HydrophobicContact CB-CH2 4.42Å; R3187-W3285 HydrophobicContact CB-CZ3 4.24Å; R3187-W3285 HydrophobicContact CG-CE3 4.34Å; R3187-W3285 HydrophobicContact CG-CH2 4.1Å; R3187-W3285 HydrophobicContact CG-CZ3 3.61Å; R3187-W3285 VanDerWaalsContact NH1-CZ2 3.26Å
3188	N	94.6	Very high	93.2	Very high	102 Å²	102	45 Å²	45	55%	0.545	25%	0.246	S	C	.	.	S	Bend	trans	55.7	32.4	176	-62.1	42.4	0	0	0	113	G3164	G3164-N3188 WeakPolarHBondContact CA-O 3.49Å; G3164-N3188 PolarHBondContact N-O 3.06Å
3189	L	95.3	Very high	93.4	Very high	6 Å²	6	45 Å²	45	3%	0.031	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.5	149.9	176.7	-65	-176.6	0	0	0	111.1	A3186 R3187 P3200 L3227 P3229 V3254 M3266 L3288	A3186-L3189 HydrophobicContact CB-CD1 4.06Å; A3186-L3189 HydrophobicContact CB-CD2 4.01Å; A3186-L3189 HydrophobicContact CB-CG 4.09Å; R3187-L3189 PolarHBondContact O-N 3.13Å; L3189-P3200 HydrophobicContact CD1-CB 3.82Å; L3189-P3200 HydrophobicContact CD1-CG 4.09Å; L3189-L3227 HydrophobicContact CB-CB 4.46Å; L3189-L3227 HydrophobicContact CB-CD2 4.49Å; L3189-L3227 PolarHBondContact N-O 3.11Å; L3189-P3229 HydrophobicContact CD1-CG 3.72Å; L3189-V3254 HydrophobicContact CD1-CG1 4.06Å; L3189-V3254 HydrophobicContact CD2-CG1 4.25Å; L3189-M3266 HydrophobicContact CB-CE 3.87Å; L3189-M3266 HydrophobicContact CD1-CE 4.11Å; L3189-L3288 HydrophobicContact CD2-CD1 3.58Å
3190	P	93.8	Very high	93.7	Very high	20 Å²	20	45 Å²	45	13%	0.13	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.4	144.5	175.1	28.7	-35.3	0	0	0	111.3	I3161 M3192 L3227 M3266	I3161-P3190 HydrophobicContact CG2-CB 4.37Å; P3190-M3192 HydrophobicContact CB-SD 3.93Å; P3190-M3192 HydrophobicContact CG-SD 3.93Å; P3190-L3227 WeakPolarHBondContact O-CD2 3.13Å; P3190-M3266 HydrophobicContact CG-CB 4.15Å; P3190-M3266 HydrophobicContact CG-CE 4.47Å; P3190-M3266 WeakPolarHBondContact O-CE 3.43Å
3191	A	93	Very high	93.8	Very high	55 Å²	55	44 Å²	44	46%	0.455	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-78.8	121.6	169.7	0	0	0	0	0	110.1	G3196 L3197 L3227	A3191-G3196 WeakPolarHBondContact CB-O 3.17Å; A3191-L3197 WeakPolarHBondContact CA-O 3.33Å; A3191-L3227 HydrophobicContact CB-CD1 4.21Å; A3191-L3227 HydrophobicContact CB-CD2 4.34Å
3192	M	91.6	Very high	93.9	Very high	65 Å²	65	44 Å²	44	32%	0.32	24%	0.238	S	C	.	.			trans	-111.9	-27.7	-176.2	-53.8	-54.5	-72.6	0	0	111.7	P3190 L3197 D3256 D3264 F3265 M3266	P3190-M3192 HydrophobicContact CB-SD 3.93Å; P3190-M3192 HydrophobicContact CG-SD 3.93Å; M3192-L3197 PolarHBondContact N-O 2.95Å; M3192-D3256 HydrophobicContact CB-CB 4.08Å; M3192-D3256 VanDerWaalsContact CB-OD2 3.32Å; M3192-D3256 WeakPolarHBondContact CB-OD2 3.38Å; M3192-D3256 HydrophobicContact CG-CB 4.24Å; M3192-D3264 HydrophobicContact CB-CB 4.44Å; M3192-D3264 HydrophobicContact CE-CB 3.79Å; M3192-F3265 WeakPolarHBondContact CE-O 3.43Å; M3192-M3266 HydrophobicContact CG-CE 4.04Å; M3192-M3266 HydrophobicContact CG-CG 3.87Å
3193	D	90	Very high	93.8	Very high	54 Å²	54	44.1 Å²	44.1	29%	0.289	24%	0.238	S	C	.	.	S	Bend	trans	-92.5	154.1	-173.2	-166.1	11.8	0	0	0	111.4	N3195 G3196 L3197	D3193-N3195 VanDerWaalsContact CB-OD1 3.3Å; D3193-N3195 WeakPolarHBondContact CB-OD1 3.47Å; D3193-N3195 PolarHBondContact O-N 3Å; D3193-N3195 PolarHBondContact O-OD1 3.29Å; D3193-N3195 PolarHBondContact OD2-ND2 3.37Å; D3193-G3196 PolarHBondContact O-N 3.49Å; D3193-L3197 PolarHBondContact N-O 2.85Å; D3193-L3197 VanDerWaalsContact N-O 3.08Å
3194	L	87.7	Confident	93.7	Very high	186 Å²	186	44.1 Å²	44.1	97%	0.974	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.8	-172.4	-70.5	173.3	0	0	0	114
3195	N	88.1	Confident	93.5	Very high	70 Å²	70	47.1 Å²	47.1	37%	0.374	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.4	173	54.1	17.9	0	0	0	113.4	D3193 L3197 N3225	D3193-N3195 VanDerWaalsContact CB-OD1 3.3Å; D3193-N3195 WeakPolarHBondContact CB-OD1 3.47Å; D3193-N3195 PolarHBondContact O-N 3Å; D3193-N3195 PolarHBondContact O-OD1 3.29Å; D3193-N3195 PolarHBondContact OD2-ND2 3.37Å; N3195-L3197 WeakPolarHBondContact OD1-CA 3.44Å; N3195-L3197 WeakPolarHBondContact OD1-CB 3.41Å; N3195-L3197 PolarHBondContact OD1-N 3.16Å; N3195-N3225 PolarHBondContact ND2-OD1 2.74Å
3196	G	88.8	Confident	93.1	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	23%	0.23	S	C	.	.	S	Bend	trans	83.2	20.3	-172.1	0	0	0	0	0	114.1	A3191 D3193	A3191-G3196 WeakPolarHBondContact CB-O 3.17Å; D3193-G3196 PolarHBondContact O-N 3.49Å
3197	L	92	Very high	92.6	Very high	61 Å²	61	43.9 Å²	43.9	32%	0.319	24%	0.236	S	C	.	.	S	Bend	trans	-132.4	-154.5	178.7	-58	168.5	0	0	0	108.6	A3191 M3192 D3193 N3195 N3225 L3227	A3191-L3197 WeakPolarHBondContact CA-O 3.33Å; M3192-L3197 PolarHBondContact N-O 2.95Å; D3193-L3197 PolarHBondContact N-O 2.85Å; D3193-L3197 VanDerWaalsContact N-O 3.08Å; N3195-L3197 WeakPolarHBondContact OD1-CA 3.44Å; N3195-L3197 WeakPolarHBondContact OD1-CB 3.41Å; N3195-L3197 PolarHBondContact OD1-N 3.16Å; L3197-N3225 HydrophobicContact CD1-CB 3.95Å; L3197-L3227 HydrophobicContact CD2-CD1 4.43Å; L3197-L3227 HydrophobicContact CD2-CG 4.2Å
3198	A	93.3	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.			trans	-157.7	168.4	170.4	0	0	0	0	0	109.5	P3200 N3225 T3226 L3227 M3266	A3198-P3200 WeakPolarHBondContact O-CD 3.22Å; A3198-N3225 CarbonylContact O-C 3.55Å; A3198-N3225 WeakPolarHBondContact O-CA 3.11Å; A3198-N3225 PolarHBondContact O-N 3.04Å; A3198-T3226 PolarHBondContact O-N 3.02Å; A3198-L3227 HydrophobicContact CB-CD2 4.06Å; A3198-M3266 HydrophobicContact CB-CE 3.33Å; A3198-M3266 HydrophobicContact CB-SD 4.13Å
3199	D	94.9	Very high	90.5	Very high	14 Å²	14	40.9 Å²	40.9	8%	0.075	23%	0.229	C	C	.	.			trans	-106.7	62.8	168.8	-83.8	20.3	0	0	0	110.5	Y3222 M3223 P3224 N3225 D3256 F3257	D3199-Y3222 HydrophobicContact CB-CD2 3.93Å; D3199-Y3222 HydrophobicContact CB-CE2 4.4Å; D3199-Y3222 WeakPolarHBondContact OD2-CE2 3.24Å; D3199-M3223 CarbonylContact C-O 3.52Å; D3199-M3223 VanDerWaalsContact CA-O 3.27Å; D3199-M3223 WeakPolarHBondContact CA-O 3.45Å; D3199-P3224 WeakPolarHBondContact OD1-CA 3.3Å; D3199-N3225 PolarHBondContact OD1-N 2.81Å; D3199-N3225 PolarHBondContact OD1-ND2 2.79Å; D3199-D3256 WeakPolarHBondContact CA-OD1 3.13Å; D3199-D3256 PolarHBondContact N-OD1 2.81Å; D3199-F3257 HydrophobicContact CB-CB 3.96Å; D3199-F3257 VanDerWaalsContact O-CB 3.31Å; D3199-F3257 WeakPolarHBondContact O-CB 3.41Å; D3199-F3257 PolarHBondContact O-N 3.01Å; D3199-F3257 VanDerWaalsContact O-N 3.11Å
3200	P	96.6	Very high	88.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.5	-164.7	29.3	-40.9	0	0	0	116.4	L3189 A3198 Y3222 M3223 T3226 P3229 W3231 V3254 W3255 M3266	L3189-P3200 HydrophobicContact CD1-CB 3.82Å; L3189-P3200 HydrophobicContact CD1-CG 4.09Å; A3198-P3200 WeakPolarHBondContact O-CD 3.22Å; P3200-Y3222 WeakPolarHBondContact O-CA 3.16Å; P3200-M3223 VanDerWaalsContact CD-O 3.22Å; P3200-M3223 WeakPolarHBondContact CD-O 3.31Å; P3200-M3223 PolarHBondContact O-N 3.47Å; P3200-T3226 WeakPolarHBondContact CD-O 3.11Å; P3200-T3226 HydrophobicContact CG-CG2 3.97Å; P3200-T3226 WeakPolarHBondContact CG-O 3.28Å; P3200-P3229 HydrophobicContact CB-CG 4.2Å; P3200-P3229 HydrophobicContact CG-CB 3.81Å; P3200-P3229 HydrophobicContact CG-CG 3.68Å; P3200-W3231 HydrophobicContact CB-CZ2 4.07Å; P3200-W3231 PolarHBondContact O-NE1 2.92Å; P3200-W3231 VanDerWaalsContact O-NE1 3.16Å; P3200-V3254 HydrophobicContact CB-CG1 4.37Å; P3200-W3255 CarbonylContact C-O 3.16Å; P3200-W3255 VanDerWaalsContact CA-O 3.31Å; P3200-W3255 WeakPolarHBondContact CA-O 3.27Å; P3200-M3266 HydrophobicContact CB-CE 4.24Å; P3200-M3266 HydrophobicContact CB-SD 3.71Å
3201	F	96.2	Very high	86.6	Confident	9 Å²	9	44 Å²	44	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.8	169.3	72.2	-75.4	0	0	0	112.3	K3203 V3254 W3255 D3256 F3257 N3263	F3201-K3203 HydrophobicContact CE2-CD 4.11Å; F3201-K3203 HydrophobicContact CE2-CG 4.15Å; F3201-V3254 WeakPolarHBondContact O-CA 3.33Å; F3201-W3255 HydrophobicContact CD1-CB 3.9Å; F3201-W3255 WeakPolarHBondContact CD1-O 3.42Å; F3201-W3255 HydrophobicContact CE1-CB 3.32Å; F3201-W3255 HydrophobicContact CE1-CG 4.39Å; F3201-W3255 HydrophobicContact CE2-CB 4.13Å; F3201-W3255 HydrophobicContact CG-CB 4.5Å; F3201-W3255 HydrophobicContact CZ-CB 3.46Å; F3201-W3255 VanDerWaalsContact CZ-CB 3.46Å; F3201-W3255 HydrophobicContact CZ-CG 4.09Å; F3201-W3255 PolarHBondContact N-O 2.87Å; F3201-W3255 PolarHBondContact O-N 3.49Å; F3201-D3256 WeakPolarHBondContact CE1-O 3.48Å; F3201-F3257 HydrophobicContact CD1-CB 4.21Å; F3201-F3257 HydrophobicContact CE1-CB 4.36Å; F3201-N3263 HydrophobicContact CE1-CB 4.47Å; F3201-N3263 WeakPolarHBondContact CE1-ND2 3.32Å; F3201-N3263 WeakPolarHBondContact CZ-ND2 3.45Å
3202	V	96.7	Very high	84.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.5	-175.8	-170.9	0	0	0	0	111	I3166 V3183 V3204 Q3219 T3220 W3231 V3252 T3253 V3254	I3166-V3202 HydrophobicContact CD1-CG1 4.14Å; I3166-V3202 HydrophobicContact CD1-CG2 3.9Å; V3183-V3202 HydrophobicContact CG1-CB 4.19Å; V3183-V3202 HydrophobicContact CG1-CG1 4.36Å; V3183-V3202 HydrophobicContact CG1-CG2 3.85Å; V3202-V3204 HydrophobicContact CG1-CG2 4.16Å; V3202-Q3219 CarbonylContact O-C 3.55Å; V3202-Q3219 WeakPolarHBondContact O-CA 3.4Å; V3202-Q3219 VanDerWaalsContact O-CB 3.28Å; V3202-Q3219 WeakPolarHBondContact O-CB 3.33Å; V3202-T3220 HydrophobicContact CB-CG2 4.16Å; V3202-T3220 PolarHBondContact N-OG1 3Å; V3202-T3220 PolarHBondContact O-N 3.03Å; V3202-W3231 HydrophobicContact CG2-CD2 4.03Å; V3202-W3231 HydrophobicContact CG2-CE3 3.83Å; V3202-W3231 HydrophobicContact CG2-CH2 3.22Å; V3202-W3231 HydrophobicContact CG2-CZ2 3.46Å; V3202-W3231 VanDerWaalsContact CG2-CZ2 3.46Å; V3202-W3231 HydrophobicContact CG2-CZ3 3.43Å; V3202-W3231 VanDerWaalsContact CG2-CZ3 3.43Å; V3202-V3252 HydrophobicContact CG1-CG1 3.49Å; V3202-V3252 VanDerWaalsContact CG1-CG1 3.49Å; V3202-T3253 CarbonylContact C-O 3.5Å; V3202-T3253 WeakPolarHBondContact CA-O 3.42Å; V3202-V3254 HydrophobicContact CG2-CG2 4.35Å
3203	K	94.2	Very high	82.8	Confident	44 Å²	44	51.8 Å²	51.8	19%	0.191	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.7	168	-81.7	163	173.8	140.6	0	109.9	F3201 Q3219 T3253	F3201-K3203 HydrophobicContact CE2-CD 4.11Å; F3201-K3203 HydrophobicContact CE2-CG 4.15Å; K3203-Q3219 VanDerWaalsContact CE-OE1 3.22Å; K3203-Q3219 HydrophobicContact CG-CB 3.75Å; K3203-T3253 PolarHBondContact N-O 3.08Å; K3203-T3253 PolarHBondContact O-N 2.82Å; K3203-T3253 PolarHBondContact O-OG1 3.28Å
3204	V	94	Very high	80.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134	-177	-173.4	0	0	0	0	109.8	V3181 V3183 V3202 R3218 V3235 F3237 L3250 E3251 V3252	V3181-V3204 HydrophobicContact CG1-CG1 4.29Å; V3183-V3204 HydrophobicContact CG2-CG2 4.12Å; V3202-V3204 HydrophobicContact CG1-CG2 4.16Å; V3204-R3218 PolarHBondContact N-O 2.98Å; V3204-V3235 HydrophobicContact CB-CG1 4.46Å; V3204-V3235 HydrophobicContact CG1-CG1 4.45Å; V3204-F3237 HydrophobicContact CB-CZ 4.37Å; V3204-F3237 HydrophobicContact CG1-CE2 3.7Å; V3204-F3237 HydrophobicContact CG1-CZ 3.83Å; V3204-L3250 HydrophobicContact CG1-CD1 3.7Å; V3204-L3250 HydrophobicContact CG1-CD2 4.39Å; V3204-L3250 HydrophobicContact CG1-CG 4.07Å; V3204-E3251 WeakPolarHBondContact CA-O 3.28Å; V3204-V3252 HydrophobicContact CG1-CG2 4.3Å; V3204-V3252 HydrophobicContact CG2-CG2 4.48Å
3205	R	91.1	Very high	78.8	Confident	71 Å²	71	49.1 Å²	49.1	27%	0.268	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.1	179.7	-67.1	174.5	178.6	147.4	-3.1	111.9	N3217 L3250 E3251	R3205-N3217 PolarHBondContact NE-OD1 2.67Å; R3205-N3217 PolarHBondContact NH2-OD1 2.82Å; R3205-N3217 VanDerWaalsContact NH2-OD1 3.08Å; R3205-L3250 WeakPolarHBondContact O-CA 3.28Å; R3205-E3251 HydrophobicContact CB-CB 4.32Å; R3205-E3251 WeakPolarHBondContact CD-OE2 3.42Å; R3205-E3251 PolarHBondContact N-O 2.82Å; R3205-E3251 IonicContact NH1-OE2 2.6Å; R3205-E3251 PolarHBondContact NH1-OE2 2.96Å; R3205-E3251 PolarHBondContact O-N 3.06Å
3206	L	89.8	Confident	77.1	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	83.2	-171.6	-179.9	59.8	0	0	0	111.7	L3179 P3208 D3209 P3210 F3237 C3240 R3248 L3250 L3273	L3179-L3206 HydrophobicContact CD2-CD1 3.94Å; L3179-L3206 HydrophobicContact CD2-CD2 4.47Å; L3206-P3208 CarbonylContact O-C 3.42Å; L3206-D3209 VanDerWaalsContact O-CA 3.26Å; L3206-D3209 WeakPolarHBondContact O-CA 3.43Å; L3206-D3209 PolarHBondContact O-N 3.4Å; L3206-P3210 HydrophobicContact CD2-CG 4.41Å; L3206-F3237 HydrophobicContact CB-CD1 3.93Å; L3206-F3237 HydrophobicContact CB-CE1 3.95Å; L3206-F3237 HydrophobicContact CB-CG 4.26Å; L3206-F3237 HydrophobicContact CB-CZ 4.29Å; L3206-F3237 HydrophobicContact CD2-CB 3.63Å; L3206-F3237 HydrophobicContact CD2-CD1 4.02Å; L3206-F3237 HydrophobicContact CD2-CD2 4.42Å; L3206-F3237 HydrophobicContact CD2-CG 3.79Å; L3206-C3240 WeakPolarHBondContact CD2-SG 3.31Å; L3206-R3248 HydrophobicContact CD1-CB 4.06Å; L3206-L3250 HydrophobicContact CD1-CD1 4.34Å; L3206-L3273 HydrophobicContact CD1-CD1 3.26Å
3207	H	87.1	Confident	75.6	Confident	33 Å²	33	49.2 Å²	49.2	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	151.5	-176.7	-68.4	-92.2	0	0	0	113.5	R3248 V3249 E3251 V3294 I3296	H3207-R3248 CarbonylContact O-C 3.6Å; H3207-R3248 WeakPolarHBondContact O-CA 3.37Å; H3207-R3248 WeakPolarHBondContact O-CB 3.28Å; H3207-R3248 WeakPolarHBondContact O-CD 3.5Å; H3207-V3249 HydrophobicContact CB-CB 4.3Å; H3207-V3249 PolarHBondContact N-O 2.88Å; H3207-V3249 PolarHBondContact O-N 3.34Å; H3207-E3251 IonicContact CD2-OE2 2.8Å; H3207-E3251 IonicContact CE1-OE2 3.83Å; H3207-E3251 IonicContact NE2-OE2 3.73Å; H3207-E3251 PolarHBondContact NE2-OE2 2.73Å; H3207-V3294 HydrophobicContact CB-CG1 4Å; H3207-I3296 HydrophobicContact CB-CD1 4.48Å; H3207-I3296 HydrophobicContact CB-CG1 4.36Å
3208	P	80.3	Confident	74.8	Confident	55 Å²	55	50.1 Å²	50.1	36%	0.357	26%	0.257	S	S	.	.	S	Bend	cis	-55.8	139.8	-29	26.8	-32.7	0	0	0	108.2	L3206 R3247 R3248 I3296	L3206-P3208 CarbonylContact O-C 3.42Å; P3208-R3247 WeakPolarHBondContact CD-O 3.1Å; P3208-R3248 PolarHBondContact O-NH1 3.01Å; P3208-I3296 HydrophobicContact CB-CD1 3.9Å; P3208-I3296 HydrophobicContact CG-CD1 4.36Å
3209	D	65.3	Low	74.7	Confident	70 Å²	70	55.5 Å²	55.5	37%	0.374	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-58	140.4	-176.2	-63.4	-64.9	0	0	0	110.7	L3206 T3211	L3206-D3209 VanDerWaalsContact O-CA 3.26Å; L3206-D3209 WeakPolarHBondContact O-CA 3.43Å; L3206-D3209 PolarHBondContact O-N 3.4Å; D3209-T3211 WeakPolarHBondContact CB-O 3.26Å; D3209-T3211 PolarHBondContact O-N 2.88Å
3210	P	55.1	Low	74.5	Confident	40 Å²	40	55.1 Å²	55.1	26%	0.26	28%	0.28	S	S	.	.	S	Bend	trans	-67.6	-12.8	-179	-18.1	32	0	0	0	114.2	L3206	L3206-P3210 HydrophobicContact CD2-CG 4.41Å
3211	T	53.1	Low	74.4	Confident	52 Å²	52	63 Å²	63	32%	0.319	31%	0.314	S	S	.	.	S	Bend	trans	-168	141	-157	16.2	0	0	0	0	106.1	D3209 D3213 F3216	D3209-T3211 WeakPolarHBondContact CB-O 3.26Å; D3209-T3211 PolarHBondContact O-N 2.88Å; T3211-D3213 WeakPolarHBondContact CB-OD2 3.22Å; T3211-D3213 WeakPolarHBondContact CG2-OD2 3.37Å; T3211-D3213 PolarHBondContact O-N 2.91Å; T3211-F3216 HydrophobicContact CG2-CE2 4.15Å; T3211-F3216 HydrophobicContact CG2-CZ 4.4Å; T3211-F3216 WeakPolarHBondContact OG1-CD2 3.45Å; T3211-F3216 WeakPolarHBondContact OG1-CE1 3.07Å; T3211-F3216 WeakPolarHBondContact OG1-CE2 3.49Å; T3211-F3216 WeakPolarHBondContact OG1-CZ 3.47Å
3212	E	53.1	Low	74.2	Confident	200 Å²	200	66.3 Å²	66.3	94%	0.935	33%	0.327	S	S	*	.			trans	-83.1	4.9	179.4	-62.9	-165.7	169.5	0	0	113
3213	D	51.5	Low	74	Confident	83 Å²	83	68.9 Å²	68.9	44%	0.444	34%	0.34	S	S	.	.			trans	-70.9	131.2	-170.9	-44.1	-58.5	0	0	0	112	T3211 D3215 F3216	T3211-D3213 WeakPolarHBondContact CB-OD2 3.22Å; T3211-D3213 WeakPolarHBondContact CG2-OD2 3.37Å; T3211-D3213 PolarHBondContact O-N 2.91Å; D3213-D3215 PolarHBondContact O-N 3.34Å; D3213-D3215 VanDerWaalsContact O-N 3.13Å; D3213-F3216 HydrophobicContact CB-CD2 4.04Å; D3213-F3216 HydrophobicContact CB-CE2 4.31Å; D3213-F3216 PolarHBondContact O-N 2.9Å
3214	P	46.8	Very low	74	Confident	95 Å²	95	70.9 Å²	70.9	62%	0.617	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.2	-174.4	25.6	-34.6	0	0	0	113	F3216 N3217	P3214-F3216 PolarHBondContact O-N 2.86Å; P3214-N3217 WeakPolarHBondContact O-CB 3.45Å; P3214-N3217 PolarHBondContact O-N 2.84Å; P3214-N3217 PolarHBondContact O-ND2 2.89Å
3215	D	46.9	Very low	73.9	Confident	88 Å²	88	74.8 Å²	74.8	47%	0.471	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-69.9	-8.6	-179.5	-62.4	-77.8	0	0	0	113.9	R2493 D3213 N3217	R2493-D3215 IonicContact CZ-OD1 3.72Å; R2493-D3215 IonicContact NH1-OD1 3.97Å; R2493-D3215 IonicContact NH1-OD2 2.73Å; R2493-D3215 IonicContact NH2-OD1 3.5Å; R2493-D3215 PolarHBondContact NH2-OD1 2.85Å; R2493-D3215 IonicContact NH2-OD2 2.67Å; D3213-D3215 PolarHBondContact O-N 3.34Å; D3213-D3215 VanDerWaalsContact O-N 3.13Å; D3215-N3217 PolarHBondContact O-N 2.82Å
3216	F	53.3	Low	74.1	Confident	53 Å²	53	72.7 Å²	72.7	23%	0.232	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-71.5	-8.8	166	-78.8	-97.4	0	0	0	113.7	T3211 D3213 P3214 R3218 F3237	T3211-F3216 HydrophobicContact CG2-CE2 4.15Å; T3211-F3216 HydrophobicContact CG2-CZ 4.4Å; T3211-F3216 WeakPolarHBondContact OG1-CD2 3.45Å; T3211-F3216 WeakPolarHBondContact OG1-CE1 3.07Å; T3211-F3216 WeakPolarHBondContact OG1-CE2 3.49Å; T3211-F3216 WeakPolarHBondContact OG1-CZ 3.47Å; D3213-F3216 HydrophobicContact CB-CD2 4.04Å; D3213-F3216 HydrophobicContact CB-CE2 4.31Å; D3213-F3216 PolarHBondContact O-N 2.9Å; P3214-F3216 PolarHBondContact O-N 2.86Å; F3216-R3218 PolarHBondContact O-N 2.82Å; F3216-F3237 HydrophobicContact CD1-CD1 4.4Å
3217	N	56.6	Low	74.3	Confident	64 Å²	64	74.7 Å²	74.7	34%	0.342	38%	0.383	S	S	.	.			trans	-75.1	68.7	172.6	-71	-97.2	0	0	0	111.4	R3205 P3214 D3215 Q3219	R3205-N3217 PolarHBondContact NE-OD1 2.67Å; R3205-N3217 PolarHBondContact NH2-OD1 2.82Å; R3205-N3217 VanDerWaalsContact NH2-OD1 3.08Å; P3214-N3217 WeakPolarHBondContact O-CB 3.45Å; P3214-N3217 PolarHBondContact O-N 2.84Å; P3214-N3217 PolarHBondContact O-ND2 2.89Å; D3215-N3217 PolarHBondContact O-N 2.82Å; N3217-Q3219 PolarHBondContact O-N 2.82Å
3218	R	76.1	Confident	74.8	Confident	81 Å²	81	77.4 Å²	77.4	31%	0.306	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.9	176.2	-60.9	-94.6	-159.4	-159.4	-1.5	109.6	V3204 F3216 V3235 V3236 F3237	V3204-R3218 PolarHBondContact N-O 2.98Å; F3216-R3218 PolarHBondContact O-N 2.82Å; R3218-V3235 HydrophobicContact CB-CB 4.27Å; R3218-V3235 HydrophobicContact CB-CG1 3.43Å; R3218-V3235 VanDerWaalsContact CB-CG1 3.43Å; R3218-V3235 HydrophobicContact CB-CG2 3.84Å; R3218-V3235 HydrophobicContact CG-CG1 3.58Å; R3218-V3236 VanDerWaalsContact CZ-O 3.26Å; R3218-V3236 PolarHBondContact NE-O 2.93Å; R3218-V3236 VanDerWaalsContact NE-O 3.12Å; R3218-V3236 PolarHBondContact NH2-O 3.41Å; R3218-F3237 HydrophobicContact CB-CZ 4.48Å; R3218-F3237 HydrophobicContact CG-CE1 4.18Å; R3218-F3237 HydrophobicContact CG-CZ 4.22Å
3219	Q	89.4	Confident	75.5	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.6	179.9	70.9	176.1	14.9	0	0	113	V3202 K3203 N3217	V3202-Q3219 CarbonylContact O-C 3.55Å; V3202-Q3219 WeakPolarHBondContact O-CA 3.4Å; V3202-Q3219 VanDerWaalsContact O-CB 3.28Å; V3202-Q3219 WeakPolarHBondContact O-CB 3.33Å; K3203-Q3219 VanDerWaalsContact CE-OE1 3.22Å; K3203-Q3219 HydrophobicContact CG-CB 3.75Å; N3217-Q3219 PolarHBondContact O-N 2.82Å
3220	T	92.4	Very high	77	Confident	7 Å²	7	76.4 Å²	76.4	4%	0.043	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-81.9	160	174.9	64.8	0	0	0	0	112	V3183 V3202 W3231 Q3233	V3183-T3220 HydrophobicContact CB-CG2 4.01Å; V3183-T3220 HydrophobicContact CG1-CG2 3.96Å; V3183-T3220 HydrophobicContact CG2-CG2 4.29Å; V3202-T3220 HydrophobicContact CB-CG2 4.16Å; V3202-T3220 PolarHBondContact N-OG1 3Å; V3202-T3220 PolarHBondContact O-N 3.03Å; T3220-W3231 HydrophobicContact CG2-CB 4.29Å; T3220-W3231 HydrophobicContact CG2-CG 4.31Å; T3220-W3231 PolarHBondContact OG1-NE1 3.5Å; T3220-Q3233 HydrophobicContact CG2-CB 3.94Å
3221	K	92.5	Very high	78.9	Confident	165 Å²	165	75.1 Å²	75.1	72%	0.717	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.8	140.5	163.3	-64.9	175.8	-178.2	173.9	0	109.6	W3231	K3221-W3231 PolarHBondContact O-NE1 2.77Å
3222	Y	93.1	Very high	80.9	Confident	78 Å²	78	77 Å²	77	31%	0.306	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-70.1	151	173.1	80.9	-91.6	0	0	0	111.6	D3199 P3200 P3224 F3257 R3259	D3199-Y3222 HydrophobicContact CB-CD2 3.93Å; D3199-Y3222 HydrophobicContact CB-CE2 4.4Å; D3199-Y3222 WeakPolarHBondContact OD2-CE2 3.24Å; P3200-Y3222 WeakPolarHBondContact O-CA 3.16Å; Y3222-P3224 HydrophobicContact CE2-CB 4.27Å; Y3222-F3257 HydrophobicContact CD1-CB 4.36Å; Y3222-F3257 AromaticContact CD1-CD1 3.68Å; Y3222-F3257 HydrophobicContact CD1-CD1 3.68Å; Y3222-F3257 HydrophobicContact CD1-CD2 4.37Å; Y3222-F3257 HydrophobicContact CD1-CE1 4.09Å; Y3222-F3257 AromaticContact CD1-CG 3.85Å; Y3222-F3257 HydrophobicContact CD1-CG 3.85Å; Y3222-F3257 HydrophobicContact CD2-CB 4.08Å; Y3222-F3257 AromaticContact CD2-CD1 3.93Å; Y3222-F3257 HydrophobicContact CD2-CD1 3.93Å; Y3222-F3257 HydrophobicContact CD2-CG 4.24Å; Y3222-F3257 AromaticContact CE1-CD1 3.63Å; Y3222-F3257 HydrophobicContact CE1-CD1 3.63Å; Y3222-F3257 AromaticContact CE1-CE1 3.69Å; Y3222-F3257 HydrophobicContact CE1-CE1 3.69Å; Y3222-F3257 HydrophobicContact CE1-CG 4.28Å; Y3222-F3257 HydrophobicContact CE1-CZ 4.39Å; Y3222-F3257 AromaticContact CE2-CD1 3.88Å; Y3222-F3257 HydrophobicContact CE2-CD1 3.88Å; Y3222-F3257 HydrophobicContact CG-CB 3.84Å; Y3222-F3257 AromaticContact CG-CD1 3.84Å; Y3222-F3257 HydrophobicContact CG-CD1 3.84Å; Y3222-F3257 AromaticContact CG-CG 3.84Å; Y3222-F3257 HydrophobicContact CG-CG 3.84Å; Y3222-F3257 AromaticContact CZ-CD1 3.74Å; Y3222-F3257 AromaticContact CZ-CE1 3.94Å; Y3222-R3259 PolarHBondContact OH-NH2 2.79Å; Y3222-R3259 VanDerWaalsContact OH-NH2 3.07Å
3223	M	93	Very high	82.8	Confident	55 Å²	55	70 Å²	70	27%	0.271	35%	0.353	S	S	.	.			trans	-116.7	118.6	176.6	-70.4	-174.3	72	0	0	109.7	D3199 P3200 T3226 P3229 E3230 W3231	D3199-M3223 CarbonylContact C-O 3.52Å; D3199-M3223 VanDerWaalsContact CA-O 3.27Å; D3199-M3223 WeakPolarHBondContact CA-O 3.45Å; P3200-M3223 VanDerWaalsContact CD-O 3.22Å; P3200-M3223 WeakPolarHBondContact CD-O 3.31Å; P3200-M3223 PolarHBondContact O-N 3.47Å; M3223-T3226 HydrophobicContact CB-CG2 3.87Å; M3223-P3229 HydrophobicContact CB-CB 4.21Å; M3223-P3229 HydrophobicContact CG-CB 4.4Å; M3223-P3229 HydrophobicContact SD-CB 3.61Å; M3223-E3230 HydrophobicContact CE-CB 4.47Å; M3223-E3230 WeakPolarHBondContact CE-O 3.49Å; M3223-E3230 PolarHBondContact SD-N 3.05Å; M3223-W3231 HydrophobicContact SD-CG 4.08Å
3224	P	92.8	Very high	84.8	Confident	85 Å²	85	70 Å²	70	55%	0.552	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	139.1	-171.8	27.2	-33.9	0	0	0	113.2	D3199 Y3222	D3199-P3224 WeakPolarHBondContact OD1-CA 3.3Å; Y3222-P3224 HydrophobicContact CE2-CB 4.27Å
3225	N	93.1	Very high	86.9	Confident	82 Å²	82	65.9 Å²	65.9	44%	0.439	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	53.2	165.1	-72.1	-131.1	0	0	0	113	N3195 L3197 A3198 D3199	N3195-N3225 PolarHBondContact ND2-OD1 2.74Å; L3197-N3225 HydrophobicContact CD1-CB 3.95Å; A3198-N3225 CarbonylContact O-C 3.55Å; A3198-N3225 WeakPolarHBondContact O-CA 3.11Å; A3198-N3225 PolarHBondContact O-N 3.04Å; D3199-N3225 PolarHBondContact OD1-N 2.81Å; D3199-N3225 PolarHBondContact OD1-ND2 2.79Å
3226	T	94.8	Very high	89	Confident	27 Å²	27	64.1 Å²	64.1	17%	0.166	32%	0.322	C	S	.	.			trans	-144.9	145.2	177.8	-176.5	0	0	0	0	113.4	A3198 P3200 M3223 T3228 P3229	A3198-T3226 PolarHBondContact O-N 3.02Å; P3200-T3226 WeakPolarHBondContact CD-O 3.11Å; P3200-T3226 HydrophobicContact CG-CG2 3.97Å; P3200-T3226 WeakPolarHBondContact CG-O 3.28Å; M3223-T3226 HydrophobicContact CB-CG2 3.87Å; T3226-T3228 VanDerWaalsContact OG1-C 3.29Å; T3226-T3228 PolarHBondContact OG1-N 3.44Å; T3226-T3228 PolarHBondContact OG1-O 2.83Å; T3226-P3229 HydrophobicContact CG2-CB 3.9Å
3227	L	94.9	Very high	90.6	Very high	43 Å²	43	61.8 Å²	61.8	23%	0.225	31%	0.312	C	S	.	.	S	Bend	trans	-106.4	2.4	169.5	-56.4	-179.7	0	0	0	112.5	L3189 P3190 A3191 L3197 A3198	L3189-L3227 HydrophobicContact CB-CB 4.46Å; L3189-L3227 HydrophobicContact CB-CD2 4.49Å; L3189-L3227 PolarHBondContact N-O 3.11Å; P3190-L3227 WeakPolarHBondContact O-CD2 3.13Å; A3191-L3227 HydrophobicContact CB-CD1 4.21Å; A3191-L3227 HydrophobicContact CB-CD2 4.34Å; L3197-L3227 HydrophobicContact CD2-CD1 4.43Å; L3197-L3227 HydrophobicContact CD2-CG 4.2Å; A3198-L3227 HydrophobicContact CB-CD2 4.06Å
3228	T	95.8	Very high	92	Very high	91 Å²	91	62.9 Å²	62.9	56%	0.558	32%	0.316	S	S	*	.	S	Bend	trans	-133.2	66.1	175.1	58.7	0	0	0	0	109.4	A3186 R3187 T3226	A3186-T3228 CarbonylContact O-C 3.6Å; A3186-T3228 VanDerWaalsContact O-CA 3.28Å; A3186-T3228 WeakPolarHBondContact O-CA 3.12Å; R3187-T3228 HydrophobicContact CB-CG2 4.4Å; T3226-T3228 VanDerWaalsContact OG1-C 3.29Å; T3226-T3228 PolarHBondContact OG1-N 3.44Å; T3226-T3228 PolarHBondContact OG1-O 2.83Å
3229	P	95.9	Very high	92.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.			trans	-69.8	149	-179.6	29.5	-36.3	0	0	0	112.1	R3185 A3186 L3189 P3200 M3223 T3226 W3231	R3185-P3229 CarbonylContact C-O 3.58Å; R3185-P3229 WeakPolarHBondContact CA-O 3.42Å; R3185-P3229 WeakPolarHBondContact CB-O 3.45Å; A3186-P3229 HydrophobicContact CB-CG 3.98Å; A3186-P3229 PolarHBondContact N-O 2.97Å; L3189-P3229 HydrophobicContact CD1-CG 3.72Å; P3200-P3229 HydrophobicContact CB-CG 4.2Å; P3200-P3229 HydrophobicContact CG-CB 3.81Å; P3200-P3229 HydrophobicContact CG-CG 3.68Å; M3223-P3229 HydrophobicContact CB-CB 4.21Å; M3223-P3229 HydrophobicContact CG-CB 4.4Å; M3223-P3229 HydrophobicContact SD-CB 3.61Å; T3226-P3229 HydrophobicContact CG2-CB 3.9Å; P3229-W3231 HydrophobicContact CB-CD2 4.1Å; P3229-W3231 HydrophobicContact CB-CE3 4.37Å; P3229-W3231 HydrophobicContact CB-CH2 3.97Å; P3229-W3231 HydrophobicContact CB-CZ2 3.64Å; P3229-W3231 HydrophobicContact CB-CZ3 4.31Å; P3229-W3231 HydrophobicContact CG-CD2 4.42Å; P3229-W3231 HydrophobicContact CG-CE3 4.3Å; P3229-W3231 HydrophobicContact CG-CH2 3.26Å; P3229-W3231 HydrophobicContact CG-CZ2 3.36Å; P3229-W3231 HydrophobicContact CG-CZ3 3.76Å
3230	E	96.2	Very high	91.8	Very high	104 Å²	104	57.4 Å²	57.4	49%	0.486	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	90.8	-179.7	-172.4	157	-140.3	0	0	108.8	A3184 R3185 M3223 Q3232	A3184-E3230 CarbonylContact O-C 3.53Å; R3185-E3230 HydrophobicContact CB-CB 4.23Å; R3185-E3230 HydrophobicContact CB-CG 4.27Å; M3223-E3230 HydrophobicContact CE-CB 4.47Å; M3223-E3230 WeakPolarHBondContact CE-O 3.49Å; M3223-E3230 PolarHBondContact SD-N 3.05Å; E3230-Q3232 VanDerWaalsContact CG-CD 3.48Å; E3230-Q3232 VanDerWaalsContact CG-NE2 3.3Å; E3230-Q3232 PolarHBondContact OE1-NE2 2.83Å
3231	W	95.2	Very high	91.3	Very high	12 Å²	12	59.4 Å²	59.4	5%	0.045	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-34.7	-167.3	-65.8	-74.2	0	0	0	114.1	I3166 V3183 A3184 A3186 P3200 V3202 T3220 K3221 M3223 P3229 Q3233 V3254	I3166-W3231 HydrophobicContact CD1-CZ3 4.1Å; I3166-W3231 HydrophobicContact CG1-CZ3 4.44Å; V3183-W3231 HydrophobicContact CG1-CD2 4.34Å; V3183-W3231 HydrophobicContact CG1-CE3 3.73Å; V3183-W3231 HydrophobicContact CG1-CZ3 4.25Å; A3184-W3231 PolarHBondContact O-N 2.71Å; A3186-W3231 HydrophobicContact CB-CH2 3.88Å; A3186-W3231 HydrophobicContact CB-CZ3 3.74Å; P3200-W3231 HydrophobicContact CB-CZ2 4.07Å; P3200-W3231 PolarHBondContact O-NE1 2.92Å; P3200-W3231 VanDerWaalsContact O-NE1 3.16Å; V3202-W3231 HydrophobicContact CG2-CD2 4.03Å; V3202-W3231 HydrophobicContact CG2-CE3 3.83Å; V3202-W3231 HydrophobicContact CG2-CH2 3.22Å; V3202-W3231 HydrophobicContact CG2-CZ2 3.46Å; V3202-W3231 VanDerWaalsContact CG2-CZ2 3.46Å; V3202-W3231 HydrophobicContact CG2-CZ3 3.43Å; V3202-W3231 VanDerWaalsContact CG2-CZ3 3.43Å; T3220-W3231 HydrophobicContact CG2-CB 4.29Å; T3220-W3231 HydrophobicContact CG2-CG 4.31Å; T3220-W3231 PolarHBondContact OG1-NE1 3.5Å; K3221-W3231 PolarHBondContact O-NE1 2.77Å; M3223-W3231 HydrophobicContact SD-CG 4.08Å; P3229-W3231 HydrophobicContact CB-CD2 4.1Å; P3229-W3231 HydrophobicContact CB-CE3 4.37Å; P3229-W3231 HydrophobicContact CB-CH2 3.97Å; P3229-W3231 HydrophobicContact CB-CZ2 3.64Å; P3229-W3231 HydrophobicContact CB-CZ3 4.31Å; P3229-W3231 HydrophobicContact CG-CD2 4.42Å; P3229-W3231 HydrophobicContact CG-CE3 4.3Å; P3229-W3231 HydrophobicContact CG-CH2 3.26Å; P3229-W3231 HydrophobicContact CG-CZ2 3.36Å; P3229-W3231 HydrophobicContact CG-CZ3 3.76Å; W3231-Q3233 VanDerWaalsContact C-N 3.26Å; W3231-Q3233 WeakPolarHBondContact O-CG 3.33Å; W3231-Q3233 PolarHBondContact O-N 2.81Å; W3231-Q3233 PolarHBondContact O-NE2 2.9Å; W3231-V3254 HydrophobicContact CH2-CG1 4.25Å
3232	Q	95.1	Very high	90.9	Very high	91 Å²	91	56.7 Å²	56.7	43%	0.425	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.8	43.3	-179.4	-92.1	68.2	-17.9	0	0	113.7	H3182 V3183 A3184 E3230	H3182-Q3232 VanDerWaalsContact CE1-C 3.4Å; V3183-Q3232 WeakPolarHBondContact O-CA 3.22Å; V3183-Q3232 PolarHBondContact O-N 3.33Å; A3184-Q3232 PolarHBondContact O-N 2.9Å; A3184-Q3232 PolarHBondContact O-OE1 2.83Å; E3230-Q3232 VanDerWaalsContact CG-CD 3.48Å; E3230-Q3232 VanDerWaalsContact CG-NE2 3.3Å; E3230-Q3232 PolarHBondContact OE1-NE2 2.83Å
3233	Q	93.8	Very high	90.4	Very high	54 Å²	54	62.2 Å²	62.2	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.5	-174.1	-86.1	155.1	76.6	0	0	111.7	V3183 T3220 W3231	V3183-Q3233 PolarHBondContact N-O 3.22Å; V3183-Q3233 PolarHBondContact O-N 3.31Å; T3220-Q3233 HydrophobicContact CG2-CB 3.94Å; W3231-Q3233 VanDerWaalsContact C-N 3.26Å; W3231-Q3233 WeakPolarHBondContact O-CG 3.33Å; W3231-Q3233 PolarHBondContact O-N 2.81Å; W3231-Q3233 PolarHBondContact O-NE2 2.9Å
3234	T	93.2	Very high	89.9	Confident	82 Å²	82	61.3 Å²	61.3	50%	0.503	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.2	-178.3	-54.8	0	0	0	0	111.2	T3180 H3182 V3236	T3180-T3234 HydrophobicContact CG2-CG2 3.53Å; H3182-T3234 PolarHBondContact ND1-OG1 3.32Å; T3234-V3236 HydrophobicContact CG2-CG2 4.35Å
3235	V	90.7	Very high	89.5	Confident	10 Å²	10	57.6 Å²	57.6	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.4	179.2	163.2	0	0	0	0	108.6	V3181 V3204 R3218 F3237	V3181-V3235 HydrophobicContact CB-CB 4.26Å; V3181-V3235 PolarHBondContact N-O 2.94Å; V3181-V3235 PolarHBondContact O-N 3.47Å; V3204-V3235 HydrophobicContact CB-CG1 4.46Å; V3204-V3235 HydrophobicContact CG1-CG1 4.45Å; R3218-V3235 HydrophobicContact CB-CB 4.27Å; R3218-V3235 HydrophobicContact CB-CG1 3.43Å; R3218-V3235 VanDerWaalsContact CB-CG1 3.43Å; R3218-V3235 HydrophobicContact CB-CG2 3.84Å; R3218-V3235 HydrophobicContact CG-CG1 3.58Å; V3235-F3237 HydrophobicContact CG1-CD2 4.08Å; V3235-F3237 HydrophobicContact CG1-CE2 3.46Å; V3235-F3237 VanDerWaalsContact CG1-CE2 3.46Å; V3235-F3237 HydrophobicContact CG1-CZ 3.82Å
3236	V	90.5	Very high	89.1	Confident	51 Å²	51	60.6 Å²	60.6	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.3	-179.5	-173.3	0	0	0	0	110.6	T3180 R3218 T3234	T3180-V3236 HydrophobicContact CG2-CG2 4.36Å; R3218-V3236 VanDerWaalsContact CZ-O 3.26Å; R3218-V3236 PolarHBondContact NE-O 2.93Å; R3218-V3236 VanDerWaalsContact NE-O 3.12Å; R3218-V3236 PolarHBondContact NH2-O 3.41Å; T3234-V3236 HydrophobicContact CG2-CG2 4.35Å
3237	F	88.2	Confident	88.6	Confident	3 Å²	3	65.9 Å²	65.9	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.4	171.2	-64.4	-84.1	0	0	0	109.9	S3178 L3179 V3181 V3204 L3206 F3216 R3218 V3235 C3240 L3250	S3178-F3237 WeakPolarHBondContact CA-O 3.12Å; L3179-F3237 HydrophobicContact CB-CB 4.34Å; L3179-F3237 HydrophobicContact CD2-CD2 4.46Å; L3179-F3237 PolarHBondContact N-O 2.85Å; L3179-F3237 PolarHBondContact O-N 2.85Å; V3181-F3237 HydrophobicContact CG2-CD2 4.23Å; V3181-F3237 HydrophobicContact CG2-CE2 4.19Å; V3204-F3237 HydrophobicContact CB-CZ 4.37Å; V3204-F3237 HydrophobicContact CG1-CE2 3.7Å; V3204-F3237 HydrophobicContact CG1-CZ 3.83Å; L3206-F3237 HydrophobicContact CB-CD1 3.93Å; L3206-F3237 HydrophobicContact CB-CE1 3.95Å; L3206-F3237 HydrophobicContact CB-CG 4.26Å; L3206-F3237 HydrophobicContact CB-CZ 4.29Å; L3206-F3237 HydrophobicContact CD2-CB 3.63Å; L3206-F3237 HydrophobicContact CD2-CD1 4.02Å; L3206-F3237 HydrophobicContact CD2-CD2 4.42Å; L3206-F3237 HydrophobicContact CD2-CG 3.79Å; F3216-F3237 HydrophobicContact CD1-CD1 4.4Å; R3218-F3237 HydrophobicContact CB-CZ 4.48Å; R3218-F3237 HydrophobicContact CG-CE1 4.18Å; R3218-F3237 HydrophobicContact CG-CZ 4.22Å; V3235-F3237 HydrophobicContact CG1-CD2 4.08Å; V3235-F3237 HydrophobicContact CG1-CE2 3.46Å; V3235-F3237 VanDerWaalsContact CG1-CE2 3.46Å; V3235-F3237 HydrophobicContact CG1-CZ 3.82Å; F3237-C3240 PolarHBondContact O-SG 2.81Å; F3237-L3250 HydrophobicContact CD2-CD1 4.42Å; F3237-L3250 HydrophobicContact CE2-CD1 3.88Å
3238	M	85.2	Confident	88.2	Confident	87 Å²	87	65.5 Å²	65.5	43%	0.429	31%	0.309	S	S	.	.	S	Bend	trans	-75.7	172	174.5	-58.3	171.7	86.4	0	0	111	L2487 C3240	L2487-M3238 HydrophobicContact CD2-CE 4.42Å; M3238-C3240 PolarHBondContact O-N 3.12Å
3239	N	77.5	Confident	87.9	Confident	79 Å²	79	61.3 Å²	61.3	42%	0.422	28%	0.284	S	S	.	.			trans	59.9	20.9	179.6	-57.2	-53.7	0	0	0	114.9	K2914 Q3177 I3241	K2914-N3239 PolarHBondContact NZ-ND2 3.17Å; K2914-N3239 PolarHBondContact NZ-OD1 2.89Å; Q3177-N3239 PolarHBondContact O-N 2.75Å; N3239-I3241 PolarHBondContact O-N 3.45Å; N3239-I3241 VanDerWaalsContact O-N 3.09Å
3240	C	82.9	Confident	87.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.284	C	S	.	.			trans	-80.7	74.2	176.9	-72	0	0	0	0	111.7	F3172 Q3177 L3179 L3206 F3237 M3238 K3242 L3245	F3172-C3240 HydrophobicContact CD2-CB 4.45Å; F3172-C3240 HydrophobicContact CE2-CB 3.87Å; F3172-C3240 WeakPolarHBondContact CE2-O 3.15Å; F3172-C3240 WeakPolarHBondContact CZ-O 3.14Å; Q3177-C3240 WeakPolarHBondContact O-CA 3.49Å; Q3177-C3240 WeakPolarHBondContact O-CB 3.1Å; Q3177-C3240 PolarHBondContact O-N 2.72Å; L3179-C3240 HydrophobicContact CB-CB 3.99Å; L3179-C3240 VanDerWaalsContact CB-SG 3.6Å; L3206-C3240 WeakPolarHBondContact CD2-SG 3.31Å; F3237-C3240 PolarHBondContact O-SG 2.81Å; M3238-C3240 PolarHBondContact O-N 3.12Å; C3240-K3242 PolarHBondContact O-N 3.17Å; C3240-L3245 HydrophobicContact CB-CD2 4.22Å
3241	I	83.3	Confident	87.7	Confident	48 Å²	48	57.1 Å²	57.1	25%	0.246	26%	0.264	C	S	.	.			trans	-67.3	129.6	-177.4	-34.2	-178.1	0	0	0	110.9	N3239 R3243 T3244 L3245	N3239-I3241 PolarHBondContact O-N 3.45Å; N3239-I3241 VanDerWaalsContact O-N 3.09Å; I3241-R3243 HydrophobicContact CB-CG 4.22Å; I3241-R3243 HydrophobicContact CG2-CG 3.8Å; I3241-R3243 PolarHBondContact O-N 3.18Å; I3241-T3244 HydrophobicContact CB-CG2 4.34Å; I3241-T3244 WeakPolarHBondContact O-CA 3.13Å; I3241-T3244 PolarHBondContact O-N 2.93Å; I3241-T3244 PolarHBondContact O-OG1 2.72Å; I3241-L3245 PolarHBondContact O-N 2.87Å
3242	K	84.7	Confident	87.7	Confident	109 Å²	109	56.5 Å²	56.5	47%	0.474	26%	0.262	S	S	.	.	H	α-helix	trans	-43.5	-38.2	178.2	-165.1	-163.9	-151.6	124.6	0	114.6	F3172 D3174 C3240 T3244	F3172-K3242 HydrophobicContact CE1-CB 3.93Å; F3172-K3242 HydrophobicContact CE1-CG 4.08Å; F3172-K3242 HydrophobicContact CZ-CB 4.24Å; D3174-K3242 WeakPolarHBondContact OD1-CB 3.34Å; D3174-K3242 WeakPolarHBondContact OD1-CD 3.39Å; D3174-K3242 WeakPolarHBondContact OD1-CE 3.38Å; D3174-K3242 VanDerWaalsContact OD1-CG 3.26Å; D3174-K3242 WeakPolarHBondContact OD1-CG 3.47Å; D3174-K3242 IonicContact OD1-NZ 3.74Å; D3174-K3242 PolarHBondContact OD1-NZ 3.11Å; D3174-K3242 IonicContact OD2-NZ 3.35Å; D3174-K3242 PolarHBondContact OD2-NZ 2.9Å; C3240-K3242 PolarHBondContact O-N 3.17Å; K3242-T3244 VanDerWaalsContact C-N 3.3Å; K3242-T3244 PolarHBondContact O-N 2.91Å
3243	R	82.2	Confident	87.7	Confident	194 Å²	194	52.3 Å²	52.3	73%	0.732	24%	0.242	S	C	*	.	H	α-helix	trans	-69.9	-21.1	178.6	65.8	-172.4	168.5	91.9	-1.8	114.2	I3241	I3241-R3243 HydrophobicContact CB-CG 4.22Å; I3241-R3243 HydrophobicContact CG2-CG 3.8Å; I3241-R3243 PolarHBondContact O-N 3.18Å
3244	T	82.9	Confident	87.9	Confident	35 Å²	35	49.8 Å²	49.8	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-97.4	-26.2	179.3	67	0	0	0	0	113.5	I3241 K3242 K3246 R3247 R3248	I3241-T3244 HydrophobicContact CB-CG2 4.34Å; I3241-T3244 WeakPolarHBondContact O-CA 3.13Å; I3241-T3244 PolarHBondContact O-N 2.93Å; I3241-T3244 PolarHBondContact O-OG1 2.72Å; K3242-T3244 VanDerWaalsContact C-N 3.3Å; K3242-T3244 PolarHBondContact O-N 2.91Å; T3244-K3246 PolarHBondContact O-N 2.84Å; T3244-K3246 VanDerWaalsContact O-N 3.1Å; T3244-R3247 CarbonylContact O-C 3.58Å; T3244-R3247 WeakPolarHBondContact O-CA 3.47Å; T3244-R3247 PolarHBondContact O-N 2.97Å; T3244-R3248 PolarHBondContact O-N 3.37Å
3245	L	84.1	Confident	88	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-49	-39.9	178.4	-69.3	179.2	0	0	0	113.8	F3172 C3240 I3241 R3247 R3248 L3273 G3274 L3279	F3172-L3245 HydrophobicContact CD1-CD1 3.53Å; F3172-L3245 HydrophobicContact CD2-CD1 3.69Å; F3172-L3245 HydrophobicContact CD2-CD2 4.34Å; F3172-L3245 HydrophobicContact CE1-CD1 3.61Å; F3172-L3245 HydrophobicContact CE2-CD1 3.83Å; F3172-L3245 HydrophobicContact CE2-CD2 4.41Å; F3172-L3245 HydrophobicContact CE2-CG 4.43Å; F3172-L3245 HydrophobicContact CG-CD1 3.57Å; F3172-L3245 HydrophobicContact CZ-CD1 3.79Å; C3240-L3245 HydrophobicContact CB-CD2 4.22Å; I3241-L3245 PolarHBondContact O-N 2.87Å; L3245-R3247 PolarHBondContact O-N 3.46Å; L3245-R3248 PolarHBondContact O-N 3.41Å; L3245-L3273 HydrophobicContact CB-CB 4.37Å; L3245-L3273 HydrophobicContact CD2-CB 4.38Å; L3245-L3273 HydrophobicContact CD2-CD1 4.43Å; L3245-L3273 CarbonylContact O-C 3.52Å; L3245-L3273 WeakPolarHBondContact O-CB 3.45Å; L3245-G3274 PolarHBondContact O-N 2.86Å; L3245-L3279 HydrophobicContact CD1-CD1 4.3Å
3246	K	84.6	Confident	88.2	Confident	145 Å²	145	47.9 Å²	47.9	63%	0.63	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-5.3	176.2	-63.5	-175.1	177.9	-177.6	0	115.5	T3244	T3244-K3246 PolarHBondContact O-N 2.84Å; T3244-K3246 VanDerWaalsContact O-N 3.1Å
3247	R	82.9	Confident	88.4	Confident	139 Å²	139	48.7 Å²	48.7	53%	0.525	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	8.2	176.9	-63.1	-179.3	61.2	-166.4	-6.7	111.6	P3208 T3244 L3245 I3296	P3208-R3247 WeakPolarHBondContact CD-O 3.1Å; T3244-R3247 CarbonylContact O-C 3.58Å; T3244-R3247 WeakPolarHBondContact O-CA 3.47Å; T3244-R3247 PolarHBondContact O-N 2.97Å; L3245-R3247 PolarHBondContact O-N 3.46Å; R3247-I3296 WeakPolarHBondContact O-CG2 3.3Å
3248	R	86.4	Confident	88.6	Confident	34 Å²	34	49.6 Å²	49.6	13%	0.128	22%	0.217	C	C	.	.			trans	-104.7	151.9	175	-63.5	-92.7	-156.2	-146.2	2.2	109.9	L3206 H3207 P3208 T3244 L3245 L3273	L3206-R3248 HydrophobicContact CD1-CB 4.06Å; H3207-R3248 CarbonylContact O-C 3.6Å; H3207-R3248 WeakPolarHBondContact O-CA 3.37Å; H3207-R3248 WeakPolarHBondContact O-CB 3.28Å; H3207-R3248 WeakPolarHBondContact O-CD 3.5Å; P3208-R3248 PolarHBondContact O-NH1 3.01Å; T3244-R3248 PolarHBondContact O-N 3.37Å; L3245-R3248 PolarHBondContact O-N 3.41Å; R3248-L3273 HydrophobicContact CB-CD1 3.88Å; R3248-L3273 PolarHBondContact O-N 3.29Å
3249	V	91.3	Very high	88.7	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.2	-179.9	-177.3	0	0	0	0	108.5	H3207 I3270 I3271 V3294 P3297	H3207-V3249 HydrophobicContact CB-CB 4.3Å; H3207-V3249 PolarHBondContact N-O 2.88Å; H3207-V3249 PolarHBondContact O-N 3.34Å; V3249-I3270 HydrophobicContact CG1-CG2 3.31Å; V3249-I3271 CarbonylContact C-O 3.54Å; V3249-I3271 WeakPolarHBondContact CA-O 3.1Å; V3249-V3294 HydrophobicContact CB-CG1 4.23Å; V3249-V3294 HydrophobicContact CG1-CG1 4.03Å; V3249-P3297 HydrophobicContact CG2-CG 4.11Å
3250	L	92.9	Very high	89.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.5	173.3	-164.3	75.8	0	0	0	108.6	L3170 L3179 V3181 V3204 R3205 L3206 F3237 V3252 I3271 L3273	L3170-L3250 HydrophobicContact CD1-CD2 4.41Å; L3170-L3250 HydrophobicContact CD2-CD2 3.91Å; L3179-L3250 HydrophobicContact CD2-CD1 4.19Å; V3181-L3250 HydrophobicContact CG1-CD2 4Å; V3181-L3250 HydrophobicContact CG2-CD1 4.06Å; V3181-L3250 HydrophobicContact CG2-CD2 3.82Å; V3204-L3250 HydrophobicContact CG1-CD1 3.7Å; V3204-L3250 HydrophobicContact CG1-CD2 4.39Å; V3204-L3250 HydrophobicContact CG1-CG 4.07Å; R3205-L3250 WeakPolarHBondContact O-CA 3.28Å; L3206-L3250 HydrophobicContact CD1-CD1 4.34Å; F3237-L3250 HydrophobicContact CD2-CD1 4.42Å; F3237-L3250 HydrophobicContact CE2-CD1 3.88Å; L3250-V3252 HydrophobicContact CD2-CG2 4.05Å; L3250-V3252 HydrophobicContact CG-CG2 4.14Å; L3250-I3271 HydrophobicContact CB-CB 4.3Å; L3250-I3271 PolarHBondContact N-O 3.14Å; L3250-I3271 PolarHBondContact O-N 3.42Å; L3250-L3273 HydrophobicContact CB-CD1 4.25Å; L3250-L3273 HydrophobicContact CB-CD2 4.24Å; L3250-L3273 HydrophobicContact CB-CG 4.31Å
3251	E	94.5	Very high	89.2	Confident	15 Å²	15	64 Å²	64	7%	0.07	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.9	169.2	175.2	-174	-155.2	0	0	108.4	V3204 R3205 H3207 T3253 Q3268 V3294	V3204-E3251 WeakPolarHBondContact CA-O 3.28Å; R3205-E3251 HydrophobicContact CB-CB 4.32Å; R3205-E3251 WeakPolarHBondContact CD-OE2 3.42Å; R3205-E3251 PolarHBondContact N-O 2.82Å; R3205-E3251 IonicContact NH1-OE2 2.6Å; R3205-E3251 PolarHBondContact NH1-OE2 2.96Å; R3205-E3251 PolarHBondContact O-N 3.06Å; H3207-E3251 IonicContact CD2-OE2 2.8Å; H3207-E3251 IonicContact CE1-OE2 3.83Å; H3207-E3251 IonicContact NE2-OE2 3.73Å; H3207-E3251 PolarHBondContact NE2-OE2 2.73Å; E3251-T3253 HydrophobicContact CG-CG2 4.17Å; E3251-Q3268 HydrophobicContact CG-CG 4.42Å; E3251-Q3268 PolarHBondContact OE1-NE2 2.8Å; E3251-V3294 HydrophobicContact CB-CG2 4.35Å; E3251-V3294 HydrophobicContact CG-CG2 4.37Å
3252	V	95.3	Very high	89.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.3	176.1	-178.2	0	0	0	0	108	I3166 L3168 V3202 V3204 L3250 Q3268 T3269	I3166-V3252 HydrophobicContact CD1-CG1 4.11Å; L3168-V3252 HydrophobicContact CD1-CG1 4.38Å; L3168-V3252 HydrophobicContact CD1-CG2 3.96Å; V3202-V3252 HydrophobicContact CG1-CG1 3.49Å; V3202-V3252 VanDerWaalsContact CG1-CG1 3.49Å; V3204-V3252 HydrophobicContact CG1-CG2 4.3Å; V3204-V3252 HydrophobicContact CG2-CG2 4.48Å; L3250-V3252 HydrophobicContact CD2-CG2 4.05Å; L3250-V3252 HydrophobicContact CG-CG2 4.14Å; V3252-Q3268 CarbonylContact O-C 3.54Å; V3252-Q3268 WeakPolarHBondContact O-CA 3.42Å; V3252-T3269 HydrophobicContact CB-CG2 3.95Å; V3252-T3269 PolarHBondContact N-O 3.1Å; V3252-T3269 PolarHBondContact O-N 3.36Å
3253	T	95.5	Very high	89.9	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.7	-179.2	51.5	0	0	0	0	111.1	V3202 K3203 E3251 W3255 F3265 G3267 Q3268	V3202-T3253 CarbonylContact C-O 3.5Å; V3202-T3253 WeakPolarHBondContact CA-O 3.42Å; K3203-T3253 PolarHBondContact N-O 3.08Å; K3203-T3253 PolarHBondContact O-N 2.82Å; K3203-T3253 PolarHBondContact O-OG1 3.28Å; E3251-T3253 HydrophobicContact CG-CG2 4.17Å; T3253-W3255 VanDerWaalsContact CB-NE1 3.29Å; T3253-W3255 PolarHBondContact OG1-NE1 3.46Å; T3253-F3265 HydrophobicContact CG2-CE2 4.32Å; T3253-G3267 CarbonylContact C-O 3.5Å; T3253-G3267 WeakPolarHBondContact CA-O 3.13Å; T3253-Q3268 HydrophobicContact CG2-CB 3.99Å; T3253-Q3268 HydrophobicContact CG2-CG 3.71Å
3254	V	96.7	Very high	90.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.8	176.5	-168.7	0	0	0	0	108.8	I3166 L3189 P3200 F3201 V3202 W3231 M3266 G3267 L3288	I3166-V3254 HydrophobicContact CD1-CG2 4.17Å; L3189-V3254 HydrophobicContact CD1-CG1 4.06Å; L3189-V3254 HydrophobicContact CD2-CG1 4.25Å; P3200-V3254 HydrophobicContact CB-CG1 4.37Å; F3201-V3254 WeakPolarHBondContact O-CA 3.33Å; V3202-V3254 HydrophobicContact CG2-CG2 4.35Å; W3231-V3254 HydrophobicContact CH2-CG1 4.25Å; V3254-M3266 HydrophobicContact CB-CB 4.15Å; V3254-M3266 HydrophobicContact CG1-CB 4.04Å; V3254-M3266 HydrophobicContact CG1-SD 4.14Å; V3254-M3266 WeakPolarHBondContact O-CB 3.32Å; V3254-M3266 PolarHBondContact O-N 3.41Å; V3254-G3267 PolarHBondContact N-O 3.06Å; V3254-G3267 PolarHBondContact O-N 3.49Å; V3254-L3288 HydrophobicContact CG2-CD1 3.82Å; V3254-L3288 HydrophobicContact CG2-CD2 3.96Å
3255	W	95.8	Very high	91	Very high	51 Å²	51	56 Å²	56	19%	0.193	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.6	-171.3	-65.6	84.5	0	0	0	110.4	P3200 F3201 T3253 N3263 D3264 F3265 M3266	P3200-W3255 CarbonylContact C-O 3.16Å; P3200-W3255 VanDerWaalsContact CA-O 3.31Å; P3200-W3255 WeakPolarHBondContact CA-O 3.27Å; F3201-W3255 HydrophobicContact CD1-CB 3.9Å; F3201-W3255 WeakPolarHBondContact CD1-O 3.42Å; F3201-W3255 HydrophobicContact CE1-CB 3.32Å; F3201-W3255 HydrophobicContact CE1-CG 4.39Å; F3201-W3255 HydrophobicContact CE2-CB 4.13Å; F3201-W3255 HydrophobicContact CG-CB 4.5Å; F3201-W3255 HydrophobicContact CZ-CB 3.46Å; F3201-W3255 VanDerWaalsContact CZ-CB 3.46Å; F3201-W3255 HydrophobicContact CZ-CG 4.09Å; F3201-W3255 PolarHBondContact N-O 2.87Å; F3201-W3255 PolarHBondContact O-N 3.49Å; T3253-W3255 VanDerWaalsContact CB-NE1 3.29Å; T3253-W3255 PolarHBondContact OG1-NE1 3.46Å; W3255-N3263 HydrophobicContact CE3-CB 4.35Å; W3255-D3264 WeakPolarHBondContact CA-O 3.46Å; W3255-F3265 HydrophobicContact CD2-CD2 4.45Å; W3255-F3265 HydrophobicContact CE3-CB 4.08Å; W3255-F3265 HydrophobicContact CH2-CB 4.33Å; W3255-F3265 HydrophobicContact CH2-CD2 4.34Å; W3255-F3265 HydrophobicContact CZ2-CD2 4.14Å; W3255-F3265 HydrophobicContact CZ3-CB 3.91Å; W3255-M3266 VanDerWaalsContact C-SD 3.53Å
3256	D	95.2	Very high	91.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.011	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.6	172.8	-170.5	20.5	0	0	0	111.3	M3192 D3199 F3201 D3258 N3263 D3264 M3266	M3192-D3256 HydrophobicContact CB-CB 4.08Å; M3192-D3256 VanDerWaalsContact CB-OD2 3.32Å; M3192-D3256 WeakPolarHBondContact CB-OD2 3.38Å; M3192-D3256 HydrophobicContact CG-CB 4.24Å; D3199-D3256 WeakPolarHBondContact CA-OD1 3.13Å; D3199-D3256 PolarHBondContact N-OD1 2.81Å; F3201-D3256 WeakPolarHBondContact CE1-O 3.48Å; D3256-D3258 PolarHBondContact O-N 3.08Å; D3256-N3263 VanDerWaalsContact O-CA 3.3Å; D3256-N3263 WeakPolarHBondContact O-CA 3.5Å; D3256-N3263 WeakPolarHBondContact O-CB 3.34Å; D3256-N3263 PolarHBondContact O-ND2 3.38Å; D3256-D3264 HydrophobicContact CB-CB 4.34Å; D3256-D3264 PolarHBondContact N-O 3.03Å; D3256-M3266 HydrophobicContact CB-CG 4.16Å; D3256-M3266 HydrophobicContact CB-SD 3.97Å
3257	F	94.4	Very high	92	Very high	67 Å²	67	48.8 Å²	48.8	29%	0.294	22%	0.222	S	C	.	.			trans	-98.7	80.6	-177.7	-176.4	-104.6	0	0	0	113.4	D3199 F3201 Y3222 R3259	D3199-F3257 HydrophobicContact CB-CB 3.96Å; D3199-F3257 VanDerWaalsContact O-CB 3.31Å; D3199-F3257 WeakPolarHBondContact O-CB 3.41Å; D3199-F3257 PolarHBondContact O-N 3.01Å; D3199-F3257 VanDerWaalsContact O-N 3.11Å; F3201-F3257 HydrophobicContact CD1-CB 4.21Å; F3201-F3257 HydrophobicContact CE1-CB 4.36Å; Y3222-F3257 HydrophobicContact CD1-CB 4.36Å; Y3222-F3257 AromaticContact CD1-CD1 3.68Å; Y3222-F3257 HydrophobicContact CD1-CD1 3.68Å; Y3222-F3257 HydrophobicContact CD1-CD2 4.37Å; Y3222-F3257 HydrophobicContact CD1-CE1 4.09Å; Y3222-F3257 AromaticContact CD1-CG 3.85Å; Y3222-F3257 HydrophobicContact CD1-CG 3.85Å; Y3222-F3257 HydrophobicContact CD2-CB 4.08Å; Y3222-F3257 AromaticContact CD2-CD1 3.93Å; Y3222-F3257 HydrophobicContact CD2-CD1 3.93Å; Y3222-F3257 HydrophobicContact CD2-CG 4.24Å; Y3222-F3257 AromaticContact CE1-CD1 3.63Å; Y3222-F3257 HydrophobicContact CE1-CD1 3.63Å; Y3222-F3257 AromaticContact CE1-CE1 3.69Å; Y3222-F3257 HydrophobicContact CE1-CE1 3.69Å; Y3222-F3257 HydrophobicContact CE1-CG 4.28Å; Y3222-F3257 HydrophobicContact CE1-CZ 4.39Å; Y3222-F3257 AromaticContact CE2-CD1 3.88Å; Y3222-F3257 HydrophobicContact CE2-CD1 3.88Å; Y3222-F3257 HydrophobicContact CG-CB 3.84Å; Y3222-F3257 AromaticContact CG-CD1 3.84Å; Y3222-F3257 HydrophobicContact CG-CD1 3.84Å; Y3222-F3257 AromaticContact CG-CG 3.84Å; Y3222-F3257 HydrophobicContact CG-CG 3.84Å; Y3222-F3257 AromaticContact CZ-CD1 3.74Å; Y3222-F3257 AromaticContact CZ-CE1 3.94Å; F3257-R3259 HydrophobicContact CD1-CG 4.31Å; F3257-R3259 HydrophobicContact CE1-CG 3.75Å; F3257-R3259 PolarHBondContact O-N 2.73Å
3258	D	92	Very high	92.6	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.118	20%	0.198	C	C	.	.			trans	-67.1	121	169.2	-94.3	-75.9	0	0	0	113.3	D3256 K3261	D3256-D3258 PolarHBondContact O-N 3.08Å; D3258-K3261 HydrophobicContact CB-CB 3.87Å; D3258-K3261 WeakPolarHBondContact OD1-CB 3.37Å; D3258-K3261 WeakPolarHBondContact OD1-CE 3.41Å; D3258-K3261 VanDerWaalsContact OD1-CG 3.31Å; D3258-K3261 WeakPolarHBondContact OD1-CG 3.3Å; D3258-K3261 IonicContact OD1-NZ 2.73Å; D3258-K3261 PolarHBondContact OD1-NZ 3.41Å; D3258-K3261 IonicContact OD2-NZ 2.86Å; D3258-K3261 PolarHBondContact OD2-NZ 3.02Å
3259	R	88.2	Confident	93	Very high	184 Å²	184	41.4 Å²	41.4	69%	0.694	20%	0.195	S	C	*	.	S	Bend	trans	-76.2	-21.2	171.3	-67.7	-179	176.2	-157.2	-6.7	114.3	Y3222 F3257	Y3222-R3259 PolarHBondContact OH-NH2 2.79Å; Y3222-R3259 VanDerWaalsContact OH-NH2 3.07Å; F3257-R3259 HydrophobicContact CD1-CG 4.31Å; F3257-R3259 HydrophobicContact CE1-CG 3.75Å; F3257-R3259 PolarHBondContact O-N 2.73Å
3260	L	84.6	Confident	93.2	Very high	171 Å²	171	44.1 Å²	44.1	90%	0.895	21%	0.209	S	C	*	.	S	Bend	trans	-134.9	-0.5	-169.9	-63.7	176.1	0	0	0	114.1
3261	K	86.7	Confident	93.2	Very high	115 Å²	115	44.3 Å²	44.3	50%	0.5	21%	0.21	S	C	.	.	S	Bend	trans	-123.5	-174.4	171.3	-47.8	-169.6	-100.6	87.8	0	109.7	D3258 D3264	D3258-K3261 HydrophobicContact CB-CB 3.87Å; D3258-K3261 WeakPolarHBondContact OD1-CB 3.37Å; D3258-K3261 WeakPolarHBondContact OD1-CE 3.41Å; D3258-K3261 VanDerWaalsContact OD1-CG 3.31Å; D3258-K3261 WeakPolarHBondContact OD1-CG 3.3Å; D3258-K3261 IonicContact OD1-NZ 2.73Å; D3258-K3261 PolarHBondContact OD1-NZ 3.41Å; D3258-K3261 IonicContact OD2-NZ 2.86Å; D3258-K3261 PolarHBondContact OD2-NZ 3.02Å; K3261-D3264 IonicContact NZ-OD2 2.7Å; K3261-D3264 PolarHBondContact NZ-OD2 3.04Å
3262	T	89.5	Confident	93.1	Very high	71 Å²	71	45.9 Å²	45.9	44%	0.436	22%	0.219	S	C	.	.			trans	-79	127.6	160	45.7	0	0	0	0	109.5	D3264	T3262-D3264 PolarHBondContact O-N 3.08Å
3263	N	92.4	Very high	92.9	Very high	50 Å²	50	46 Å²	46	27%	0.267	22%	0.22	S	C	.	.			trans	-38.3	114	173.6	-61.8	67.2	0	0	0	113.3	F3201 W3255 D3256	F3201-N3263 HydrophobicContact CE1-CB 4.47Å; F3201-N3263 WeakPolarHBondContact CE1-ND2 3.32Å; F3201-N3263 WeakPolarHBondContact CZ-ND2 3.45Å; W3255-N3263 HydrophobicContact CE3-CB 4.35Å; D3256-N3263 VanDerWaalsContact O-CA 3.3Å; D3256-N3263 WeakPolarHBondContact O-CA 3.5Å; D3256-N3263 WeakPolarHBondContact O-CB 3.34Å; D3256-N3263 PolarHBondContact O-ND2 3.38Å
3264	D	93.3	Very high	92.5	Very high	58 Å²	58	47 Å²	47	31%	0.31	23%	0.23	S	C	.	.			trans	-71.5	147.5	178.5	-77.9	-46.9	0	0	0	111.6	M3192 W3255 D3256 K3261 T3262	M3192-D3264 HydrophobicContact CB-CB 4.44Å; M3192-D3264 HydrophobicContact CE-CB 3.79Å; W3255-D3264 WeakPolarHBondContact CA-O 3.46Å; D3256-D3264 HydrophobicContact CB-CB 4.34Å; D3256-D3264 PolarHBondContact N-O 3.03Å; K3261-D3264 IonicContact NZ-OD2 2.7Å; K3261-D3264 PolarHBondContact NZ-OD2 3.04Å; T3262-D3264 PolarHBondContact O-N 3.08Å
3265	F	94.3	Very high	91.9	Very high	39 Å²	39	50.6 Å²	50.6	17%	0.171	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.4	-175.3	166.7	-92.8	0	0	0	112	Y3163 M3192 T3253 W3255 G3267 Q3268 L3291	Y3163-F3265 HydrophobicContact CD1-CE1 4.39Å; Y3163-F3265 HydrophobicContact CE1-CE1 4.12Å; M3192-F3265 WeakPolarHBondContact CE-O 3.43Å; T3253-F3265 HydrophobicContact CG2-CE2 4.32Å; W3255-F3265 HydrophobicContact CD2-CD2 4.45Å; W3255-F3265 HydrophobicContact CE3-CB 4.08Å; W3255-F3265 HydrophobicContact CH2-CB 4.33Å; W3255-F3265 HydrophobicContact CH2-CD2 4.34Å; W3255-F3265 HydrophobicContact CZ2-CD2 4.14Å; W3255-F3265 HydrophobicContact CZ3-CB 3.91Å; F3265-G3267 VanDerWaalsContact CE2-O 3.28Å; F3265-G3267 WeakPolarHBondContact CE2-O 3.15Å; F3265-Q3268 HydrophobicContact CE2-CB 4.09Å; F3265-Q3268 HydrophobicContact CZ-CB 3.86Å; F3265-L3291 HydrophobicContact CD1-CD1 4.38Å; F3265-L3291 HydrophobicContact CD1-CG 4.1Å; F3265-L3291 HydrophobicContact CD2-CD1 4.21Å; F3265-L3291 HydrophobicContact CD2-CD2 3.81Å; F3265-L3291 HydrophobicContact CD2-CG 3.94Å; F3265-L3291 HydrophobicContact CE1-CD2 4.39Å; F3265-L3291 HydrophobicContact CE1-CG 3.8Å; F3265-L3291 HydrophobicContact CE2-CD1 4.38Å; F3265-L3291 HydrophobicContact CE2-CD2 3.3Å; F3265-L3291 HydrophobicContact CE2-CG 3.61Å; F3265-L3291 HydrophobicContact CG-CD1 4.19Å; F3265-L3291 HydrophobicContact CG-CG 4.15Å; F3265-L3291 HydrophobicContact CZ-CB 4.44Å; F3265-L3291 HydrophobicContact CZ-CD2 3.62Å; F3265-L3291 HydrophobicContact CZ-CG 3.52Å
3266	M	94.1	Very high	91.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-17	-173.1	-56	-177.4	82.6	0	0	115.1	Y3163 L3189 P3190 M3192 A3198 P3200 V3254 W3255 D3256	Y3163-M3266 WeakPolarHBondContact CD1-O 3.43Å; L3189-M3266 HydrophobicContact CB-CE 3.87Å; L3189-M3266 HydrophobicContact CD1-CE 4.11Å; P3190-M3266 HydrophobicContact CG-CB 4.15Å; P3190-M3266 HydrophobicContact CG-CE 4.47Å; P3190-M3266 WeakPolarHBondContact O-CE 3.43Å; M3192-M3266 HydrophobicContact CG-CE 4.04Å; M3192-M3266 HydrophobicContact CG-CG 3.87Å; A3198-M3266 HydrophobicContact CB-CE 3.33Å; A3198-M3266 HydrophobicContact CB-SD 4.13Å; P3200-M3266 HydrophobicContact CB-CE 4.24Å; P3200-M3266 HydrophobicContact CB-SD 3.71Å; V3254-M3266 HydrophobicContact CB-CB 4.15Å; V3254-M3266 HydrophobicContact CG1-CB 4.04Å; V3254-M3266 HydrophobicContact CG1-SD 4.14Å; V3254-M3266 WeakPolarHBondContact O-CB 3.32Å; V3254-M3266 PolarHBondContact O-N 3.41Å; W3255-M3266 VanDerWaalsContact C-SD 3.53Å; D3256-M3266 HydrophobicContact CB-CG 4.16Å; D3256-M3266 HydrophobicContact CB-SD 3.97Å
3267	G	96	Very high	90.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.9	155.1	178.4	0	0	0	0	0	114.5	T3253 V3254 F3265 H3289	T3253-G3267 CarbonylContact C-O 3.5Å; T3253-G3267 WeakPolarHBondContact CA-O 3.13Å; V3254-G3267 PolarHBondContact N-O 3.06Å; V3254-G3267 PolarHBondContact O-N 3.49Å; F3265-G3267 VanDerWaalsContact CE2-O 3.28Å; F3265-G3267 WeakPolarHBondContact CE2-O 3.15Å; G3267-H3289 CarbonylContact C-O 3.37Å; G3267-H3289 WeakPolarHBondContact CA-O 3.43Å
3268	Q	96.1	Very high	90.5	Very high	5 Å²	5	62.4 Å²	62.4	2%	0.023	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.5	177.1	-175.8	-167.1	53.1	0	0	109.9	E3251 V3252 T3253 F3265 I3270 L3288 H3289 L3291 M3292	E3251-Q3268 HydrophobicContact CG-CG 4.42Å; E3251-Q3268 PolarHBondContact OE1-NE2 2.8Å; V3252-Q3268 CarbonylContact O-C 3.54Å; V3252-Q3268 WeakPolarHBondContact O-CA 3.42Å; T3253-Q3268 HydrophobicContact CG2-CB 3.99Å; T3253-Q3268 HydrophobicContact CG2-CG 3.71Å; F3265-Q3268 HydrophobicContact CE2-CB 4.09Å; F3265-Q3268 HydrophobicContact CZ-CB 3.86Å; Q3268-I3270 HydrophobicContact CG-CG1 4.09Å; Q3268-L3288 WeakPolarHBondContact O-CA 3.33Å; Q3268-H3289 PolarHBondContact N-O 3.22Å; Q3268-H3289 PolarHBondContact O-N 3.26Å; Q3268-L3291 HydrophobicContact CB-CD2 4.46Å; Q3268-M3292 PolarHBondContact NE2-O 2.86Å; Q3268-M3292 PolarHBondContact OE1-O 2.77Å
3269	T	95.3	Very high	90.4	Very high	12 Å²	12	63 Å²	63	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.8	162	-161.9	0	0	0	0	110.4	I3166 V3252 I3271 F3286 S3287 L3288	I3166-T3269 HydrophobicContact CG2-CG2 4Å; V3252-T3269 HydrophobicContact CB-CG2 3.95Å; V3252-T3269 PolarHBondContact N-O 3.1Å; V3252-T3269 PolarHBondContact O-N 3.36Å; T3269-I3271 HydrophobicContact CG2-CD1 4.37Å; T3269-F3286 HydrophobicContact CG2-CB 3.88Å; T3269-S3287 WeakPolarHBondContact CB-O 3.46Å; T3269-S3287 PolarHBondContact OG1-O 3.39Å; T3269-L3288 HydrophobicContact CG2-CD2 4.28Å
3270	I	94.5	Very high	90.5	Very high	61 Å²	61	57.4 Å²	57.4	31%	0.313	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	111.4	-168.9	-60.4	-179.3	0	0	0	107.9	V3249 Q3268 M3292 V3294	V3249-I3270 HydrophobicContact CG1-CG2 3.31Å; Q3268-I3270 HydrophobicContact CG-CG1 4.09Å; I3270-M3292 HydrophobicContact CD1-CB 4.06Å; I3270-V3294 HydrophobicContact CD1-CG2 4.15Å
3271	I	93.6	Very high	90.9	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.7	-168.8	-53.8	167.5	0	0	0	109.8	L3168 L3170 V3249 L3250 T3269 L3273 Y3278 F3286	L3168-I3271 HydrophobicContact CD1-CD1 3.72Å; L3170-I3271 HydrophobicContact CD1-CD1 4.46Å; L3170-I3271 HydrophobicContact CD1-CG2 4.07Å; V3249-I3271 CarbonylContact C-O 3.54Å; V3249-I3271 WeakPolarHBondContact CA-O 3.1Å; L3250-I3271 HydrophobicContact CB-CB 4.3Å; L3250-I3271 PolarHBondContact N-O 3.14Å; L3250-I3271 PolarHBondContact O-N 3.42Å; T3269-I3271 HydrophobicContact CG2-CD1 4.37Å; I3271-L3273 PolarHBondContact O-N 3.45Å; I3271-Y3278 HydrophobicContact CG2-CD2 3.98Å; I3271-Y3278 HydrophobicContact CG2-CG 4.36Å; I3271-F3286 HydrophobicContact CD1-CD1 3.67Å; I3271-F3286 HydrophobicContact CD1-CD2 3.97Å; I3271-F3286 HydrophobicContact CD1-CE1 3.57Å; I3271-F3286 HydrophobicContact CD1-CE2 3.89Å; I3271-F3286 HydrophobicContact CD1-CG 3.87Å; I3271-F3286 HydrophobicContact CD1-CZ 3.69Å; I3271-F3286 HydrophobicContact CG1-CD1 3.74Å; I3271-F3286 HydrophobicContact CG1-CE1 3.7Å; I3271-F3286 HydrophobicContact CG1-CG 4.36Å; I3271-F3286 HydrophobicContact CG1-CZ 4.3Å; I3271-F3286 HydrophobicContact CG2-CE1 4.02Å; I3271-F3286 HydrophobicContact CG2-CZ 4.37Å
3272	N	92.2	Very high	91.2	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.251	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.3	179	171.6	23.2	0	0	0	110.8	G3274 D3275	N3272-G3274 PolarHBondContact O-N 2.97Å; N3272-G3274 VanDerWaalsContact O-N 3.14Å; N3272-G3274 PolarHBondContact OD1-N 3.19Å; N3272-G3274 VanDerWaalsContact OD1-N 3.08Å; N3272-D3275 WeakPolarHBondContact CB-OD2 3.28Å; N3272-D3275 VanDerWaalsContact ND2-CG 3.31Å; N3272-D3275 PolarHBondContact ND2-OD1 3.04Å; N3272-D3275 PolarHBondContact ND2-OD2 3.29Å; N3272-D3275 WeakPolarHBondContact O-CB 3.15Å; N3272-D3275 PolarHBondContact O-N 3.02Å
3273	L	90.9	Very high	91.4	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	2.4	-176.5	-61	166.6	0	0	0	113.3	L3170 L3179 L3206 L3245 R3248 L3250 I3271 D3275 L3279	L3170-L3273 HydrophobicContact CD1-CD2 4.48Å; L3179-L3273 HydrophobicContact CD1-CD2 4.11Å; L3179-L3273 HydrophobicContact CD2-CD1 3.58Å; L3179-L3273 HydrophobicContact CD2-CD2 3.94Å; L3179-L3273 HydrophobicContact CD2-CG 4.43Å; L3206-L3273 HydrophobicContact CD1-CD1 3.26Å; L3245-L3273 HydrophobicContact CB-CB 4.37Å; L3245-L3273 HydrophobicContact CD2-CB 4.38Å; L3245-L3273 HydrophobicContact CD2-CD1 4.43Å; L3245-L3273 CarbonylContact O-C 3.52Å; L3245-L3273 WeakPolarHBondContact O-CB 3.45Å; R3248-L3273 HydrophobicContact CB-CD1 3.88Å; R3248-L3273 PolarHBondContact O-N 3.29Å; L3250-L3273 HydrophobicContact CB-CD1 4.25Å; L3250-L3273 HydrophobicContact CB-CD2 4.24Å; L3250-L3273 HydrophobicContact CB-CG 4.31Å; I3271-L3273 PolarHBondContact O-N 3.45Å; L3273-D3275 VanDerWaalsContact C-N 3.34Å; L3273-L3279 HydrophobicContact CD2-CD2 3.94Å
3274	G	85.9	Confident	91.6	Very high	22 Å²	22	50.9 Å²	50.9	23%	0.227	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-22.8	162	0	0	0	0	0	114.2	L3245 N3272 K3276	L3245-G3274 PolarHBondContact O-N 2.86Å; N3272-G3274 PolarHBondContact O-N 2.97Å; N3272-G3274 VanDerWaalsContact O-N 3.14Å; N3272-G3274 PolarHBondContact OD1-N 3.19Å; N3272-G3274 VanDerWaalsContact OD1-N 3.08Å; G3274-K3276 PolarHBondContact O-N 3.47Å
3275	D	85.2	Confident	91.7	Very high	77 Å²	77	51.8 Å²	51.8	41%	0.412	26%	0.262	S	S	.	.			trans	-89.4	90.2	-173.1	-61.7	-32.4	0	0	0	110	N3272 L3273 E3277 Y3278	N3272-D3275 WeakPolarHBondContact CB-OD2 3.28Å; N3272-D3275 VanDerWaalsContact ND2-CG 3.31Å; N3272-D3275 PolarHBondContact ND2-OD1 3.04Å; N3272-D3275 PolarHBondContact ND2-OD2 3.29Å; N3272-D3275 WeakPolarHBondContact O-CB 3.15Å; N3272-D3275 PolarHBondContact O-N 3.02Å; L3273-D3275 VanDerWaalsContact C-N 3.34Å; D3275-E3277 PolarHBondContact O-N 3.01Å; D3275-Y3278 HydrophobicContact CB-CD2 4.01Å; D3275-Y3278 HydrophobicContact CB-CE2 3.9Å; D3275-Y3278 WeakPolarHBondContact O-CD2 3.43Å; D3275-Y3278 PolarHBondContact O-N 3.16Å
3276	K	80.3	Confident	91.8	Very high	155 Å²	155	50.7 Å²	50.7	67%	0.674	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-54.8	-18.2	-172.9	-71.8	-170.3	169	-162.1	0	116.1	G3274 Y3278 L3279	G3274-K3276 PolarHBondContact O-N 3.47Å; K3276-Y3278 PolarHBondContact O-N 3.44Å; K3276-L3279 PolarHBondContact O-N 3.32Å
3277	E	86.6	Confident	91.9	Very high	155 Å²	155	53.3 Å²	53.3	72%	0.724	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-63.5	-31.3	-176.9	-60.1	-173.8	174.9	0	0	111.4	D3275 H3284	D3275-E3277 PolarHBondContact O-N 3.01Å; E3277-H3284 PolarHBondContact O-CE1 2.95Å
3278	Y	88.7	Confident	91.9	Very high	58 Å²	58	53.7 Å²	53.7	23%	0.227	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-82.9	-18.4	178.2	-50.8	-61.4	0	0	0	114.4	L3170 I3271 D3275 K3276 D3280 H3284 F3286	L3170-Y3278 WeakPolarHBondContact CB-O 2.99Å; I3271-Y3278 HydrophobicContact CG2-CD2 3.98Å; I3271-Y3278 HydrophobicContact CG2-CG 4.36Å; D3275-Y3278 HydrophobicContact CB-CD2 4.01Å; D3275-Y3278 HydrophobicContact CB-CE2 3.9Å; D3275-Y3278 WeakPolarHBondContact O-CD2 3.43Å; D3275-Y3278 PolarHBondContact O-N 3.16Å; K3276-Y3278 PolarHBondContact O-N 3.44Å; Y3278-D3280 VanDerWaalsContact C-N 3.26Å; Y3278-D3280 PolarHBondContact O-N 3.1Å; Y3278-H3284 AromaticContact CD1-CD2 3.93Å; Y3278-F3286 AromaticContact CD1-CE1 3.6Å; Y3278-F3286 HydrophobicContact CD1-CE1 3.6Å; Y3278-F3286 AromaticContact CD1-CZ 3.55Å; Y3278-F3286 HydrophobicContact CD1-CZ 3.55Å; Y3278-F3286 AromaticContact CE1-CE1 3.68Å; Y3278-F3286 HydrophobicContact CE1-CE1 3.68Å; Y3278-F3286 HydrophobicContact CE1-CZ 4.1Å; Y3278-F3286 HydrophobicContact CG-CE1 4.04Å; Y3278-F3286 AromaticContact CG-CZ 3.96Å; Y3278-F3286 HydrophobicContact CG-CZ 3.96Å
3279	L	90	Very high	91.8	Very high	34 Å²	34	57.4 Å²	57.4	18%	0.178	30%	0.295	C	S	.	.	S	Bend	trans	-91.5	28.3	-174.7	-60.5	-179.7	0	0	0	112.8	L3170 F3172 L3179 L3245 L3273 K3276	L3170-L3279 HydrophobicContact CB-CD2 3.91Å; L3170-L3279 HydrophobicContact CD1-CD2 4.33Å; L3170-L3279 CarbonylContact O-C 3.37Å; F3172-L3279 HydrophobicContact CB-CD1 4.44Å; F3172-L3279 HydrophobicContact CB-CD2 4.5Å; L3179-L3279 HydrophobicContact CD1-CD2 3.82Å; L3245-L3279 HydrophobicContact CD1-CD1 4.3Å; L3273-L3279 HydrophobicContact CD2-CD2 3.94Å; K3276-L3279 PolarHBondContact O-N 3.32Å
3280	D	90.6	Very high	91.6	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.353	30%	0.302	S	S	.	.	S	Bend	trans	-104.5	8	-167.3	82.8	-17.4	0	0	0	114.4	Y3278 K3282 H3284	Y3278-D3280 VanDerWaalsContact C-N 3.26Å; Y3278-D3280 PolarHBondContact O-N 3.1Å; D3280-K3282 VanDerWaalsContact C-N 3.33Å; D3280-K3282 PolarHBondContact O-N 3.45Å; D3280-K3282 PolarHBondContact O-NZ 3.02Å; D3280-K3282 VanDerWaalsContact OD1-CB 3.31Å; D3280-K3282 WeakPolarHBondContact OD1-CB 3.31Å; D3280-K3282 PolarHBondContact OD1-N 3.43Å; D3280-K3282 IonicContact OD1-NZ 3.54Å; D3280-K3282 WeakPolarHBondContact OD2-CD 3.48Å; D3280-K3282 WeakPolarHBondContact OD2-CE 3.24Å; D3280-K3282 IonicContact OD2-NZ 3.99Å; D3280-K3282 PolarHBondContact OD2-NZ 3.13Å; D3280-H3284 IonicContact OD1-CE1 2.88Å; D3280-H3284 PolarHBondContact OD1-CE1 2.71Å; D3280-H3284 VanDerWaalsContact OD1-CE1 3.31Å; D3280-H3284 IonicContact OD1-ND1 2.68Å
3281	G	91.8	Very high	91.4	Very high	34 Å²	34	58.5 Å²	58.5	35%	0.351	31%	0.306	S	S	.	.	S	Bend	trans	72.5	13.8	-179	0	0	0	0	0	115.9	I3169 L3170 T3171	I3169-G3281 VanDerWaalsContact CG2-C 3.42Å; I3169-G3281 VanDerWaalsContact CG2-O 3.3Å; I3169-G3281 WeakPolarHBondContact CG2-O 3.48Å; L3170-G3281 PolarHBondContact O-N 3.16Å; T3171-G3281 VanDerWaalsContact CG2-CA 3.5Å
3282	K	93	Very high	91.2	Very high	114 Å²	114	63.7 Å²	63.7	50%	0.496	33%	0.331	S	S	.	.	S	Bend	trans	-104.1	150.3	176.8	-62.9	175.9	-159	63.2	0	112.3	D3280 H3284	D3280-K3282 VanDerWaalsContact C-N 3.33Å; D3280-K3282 PolarHBondContact O-N 3.45Å; D3280-K3282 PolarHBondContact O-NZ 3.02Å; D3280-K3282 VanDerWaalsContact OD1-CB 3.31Å; D3280-K3282 WeakPolarHBondContact OD1-CB 3.31Å; D3280-K3282 PolarHBondContact OD1-N 3.43Å; D3280-K3282 IonicContact OD1-NZ 3.54Å; D3280-K3282 WeakPolarHBondContact OD2-CD 3.48Å; D3280-K3282 WeakPolarHBondContact OD2-CE 3.24Å; D3280-K3282 IonicContact OD2-NZ 3.99Å; D3280-K3282 PolarHBondContact OD2-NZ 3.13Å; K3282-H3284 PolarHBondContact O-N 3.32Å; K3282-H3284 PolarHBondContact O-ND1 3.39Å
3283	P	95	Very high	91	Very high	72 Å²	72	65.4 Å²	65.4	47%	0.468	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	126.9	171.3	26.6	-34.1	0	0	0	110.8	E3167 I3169	E3167-P3283 HydrophobicContact CG-CB 3.85Å; I3169-P3283 HydrophobicContact CG1-CB 4.17Å
3284	H	95.6	Very high	90.8	Very high	50 Å²	50	67 Å²	67	23%	0.231	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.7	178.4	-79.9	89.8	0	0	0	109.5	E3167 L3168 E3277 Y3278 D3280 K3282 F3286	E3167-H3284 WeakPolarHBondContact CA-O 3.21Å; L3168-H3284 PolarHBondContact N-O 2.95Å; L3168-H3284 PolarHBondContact O-N 2.93Å; E3277-H3284 PolarHBondContact O-CE1 2.95Å; Y3278-H3284 AromaticContact CD1-CD2 3.93Å; D3280-H3284 IonicContact OD1-CE1 2.88Å; D3280-H3284 PolarHBondContact OD1-CE1 2.71Å; D3280-H3284 VanDerWaalsContact OD1-CE1 3.31Å; D3280-H3284 IonicContact OD1-ND1 2.68Å; K3282-H3284 PolarHBondContact O-N 3.32Å; K3282-H3284 PolarHBondContact O-ND1 3.39Å; H3284-F3286 HydrophobicContact CB-CD2 4.27Å; H3284-F3286 HydrophobicContact CB-CE2 3.44Å; H3284-F3286 VanDerWaalsContact CB-CE2 3.44Å; H3284-F3286 HydrophobicContact CB-CZ 3.71Å; H3284-F3286 VanDerWaalsContact O-CD2 3.28Å; H3284-F3286 WeakPolarHBondContact O-CD2 3.3Å; H3284-F3286 WeakPolarHBondContact O-CE2 3.24Å
3285	W	96.2	Very high	90.7	Very high	77 Å²	77	71.7 Å²	71.7	29%	0.292	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126	171.6	-72.2	85.6	0	0	0	109.9	E3165 I3166 E3167 R3185 R3187	E3165-W3285 HydrophobicContact CB-CE3 3.83Å; E3165-W3285 HydrophobicContact CB-CZ3 4.34Å; I3166-W3285 WeakPolarHBondContact O-CA 3.39Å; E3167-W3285 HydrophobicContact CB-CD2 3.86Å; E3167-W3285 HydrophobicContact CB-CE3 3.97Å; E3167-W3285 HydrophobicContact CB-CH2 3.87Å; E3167-W3285 HydrophobicContact CB-CZ2 3.75Å; E3167-W3285 HydrophobicContact CB-CZ3 3.96Å; E3167-W3285 VanDerWaalsContact CD-CE2 3.44Å; E3167-W3285 VanDerWaalsContact CD-CZ2 3.5Å; E3167-W3285 VanDerWaalsContact CD-NE1 3.28Å; E3167-W3285 HydrophobicContact CG-CD2 4.19Å; E3167-W3285 HydrophobicContact CG-CG 4.45Å; E3167-W3285 HydrophobicContact CG-CZ2 4.08Å; E3167-W3285 PolarHBondContact OE1-NE1 3.18Å; E3167-W3285 WeakPolarHBondContact OE2-CZ2 3.44Å; R3185-W3285 HydrophobicContact CG-CH2 4.09Å; R3187-W3285 HydrophobicContact CB-CH2 4.42Å; R3187-W3285 HydrophobicContact CB-CZ3 4.24Å; R3187-W3285 HydrophobicContact CG-CE3 4.34Å; R3187-W3285 HydrophobicContact CG-CH2 4.1Å; R3187-W3285 HydrophobicContact CG-CZ3 3.61Å; R3187-W3285 VanDerWaalsContact NH1-CZ2 3.26Å
3286	F	96.5	Very high	90.6	Very high	17 Å²	17	71 Å²	71	8%	0.075	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.2	175.1	-61.8	-88.3	0	0	0	108.5	E3165 I3166 L3168 T3269 I3271 Y3278 H3284	E3165-F3286 WeakPolarHBondContact CA-O 3.37Å; I3166-F3286 HydrophobicContact CG2-CB 4.14Å; I3166-F3286 PolarHBondContact N-O 2.69Å; I3166-F3286 PolarHBondContact O-N 2.79Å; L3168-F3286 HydrophobicContact CB-CD2 4.1Å; L3168-F3286 HydrophobicContact CB-CE2 3.94Å; L3168-F3286 HydrophobicContact CD1-CD2 3.91Å; L3168-F3286 HydrophobicContact CD1-CE2 4.2Å; L3168-F3286 HydrophobicContact CG-CD2 4.09Å; L3168-F3286 HydrophobicContact CG-CE2 4.38Å; T3269-F3286 HydrophobicContact CG2-CB 3.88Å; I3271-F3286 HydrophobicContact CD1-CD1 3.67Å; I3271-F3286 HydrophobicContact CD1-CD2 3.97Å; I3271-F3286 HydrophobicContact CD1-CE1 3.57Å; I3271-F3286 HydrophobicContact CD1-CE2 3.89Å; I3271-F3286 HydrophobicContact CD1-CG 3.87Å; I3271-F3286 HydrophobicContact CD1-CZ 3.69Å; I3271-F3286 HydrophobicContact CG1-CD1 3.74Å; I3271-F3286 HydrophobicContact CG1-CE1 3.7Å; I3271-F3286 HydrophobicContact CG1-CG 4.36Å; I3271-F3286 HydrophobicContact CG1-CZ 4.3Å; I3271-F3286 HydrophobicContact CG2-CE1 4.02Å; I3271-F3286 HydrophobicContact CG2-CZ 4.37Å; Y3278-F3286 AromaticContact CD1-CE1 3.6Å; Y3278-F3286 HydrophobicContact CD1-CE1 3.6Å; Y3278-F3286 AromaticContact CD1-CZ 3.55Å; Y3278-F3286 HydrophobicContact CD1-CZ 3.55Å; Y3278-F3286 AromaticContact CE1-CE1 3.68Å; Y3278-F3286 HydrophobicContact CE1-CE1 3.68Å; Y3278-F3286 HydrophobicContact CE1-CZ 4.1Å; Y3278-F3286 HydrophobicContact CG-CE1 4.04Å; Y3278-F3286 AromaticContact CG-CZ 3.96Å; Y3278-F3286 HydrophobicContact CG-CZ 3.96Å; H3284-F3286 HydrophobicContact CB-CD2 4.27Å; H3284-F3286 HydrophobicContact CB-CE2 3.44Å; H3284-F3286 VanDerWaalsContact CB-CE2 3.44Å; H3284-F3286 HydrophobicContact CB-CZ 3.71Å; H3284-F3286 VanDerWaalsContact O-CD2 3.28Å; H3284-F3286 WeakPolarHBondContact O-CD2 3.3Å; H3284-F3286 WeakPolarHBondContact O-CE2 3.24Å
3287	S	96	Very high	90.3	Very high	54 Å²	54	65.5 Å²	65.5	38%	0.378	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	141.8	174.4	-42.6	0	0	0	0	110.3	E3165 T3269 H3289	E3165-S3287 PolarHBondContact OE1-OG 3.16Å; E3165-S3287 VanDerWaalsContact OE1-OG 3.11Å; T3269-S3287 WeakPolarHBondContact CB-O 3.46Å; T3269-S3287 PolarHBondContact OG1-O 3.39Å; S3287-H3289 PolarHBondContact O-CE1 2.96Å; S3287-H3289 PolarHBondContact O-ND1 3.14Å; S3287-H3289 VanDerWaalsContact O-ND1 3.17Å
3288	L	96.6	Very high	89.6	Confident	9 Å²	9	63.9 Å²	63.9	5%	0.047	36%	0.355	C	S	.	.			trans	-93.4	152.1	178.3	-65	167.2	0	0	0	110.1	Y3163 G3164 I3166 L3189 V3254 Q3268 T3269	Y3163-L3288 WeakPolarHBondContact O-CB 3.25Å; Y3163-L3288 VanDerWaalsContact O-CD1 3.32Å; Y3163-L3288 WeakPolarHBondContact O-CD1 3.27Å; G3164-L3288 WeakPolarHBondContact O-CB 3.49Å; G3164-L3288 PolarHBondContact O-N 2.66Å; I3166-L3288 HydrophobicContact CB-CD1 4.43Å; I3166-L3288 HydrophobicContact CB-CD2 4.41Å; I3166-L3288 HydrophobicContact CG2-CD2 3.88Å; I3166-L3288 HydrophobicContact CG2-CG 4.3Å; L3189-L3288 HydrophobicContact CD2-CD1 3.58Å; V3254-L3288 HydrophobicContact CG2-CD1 3.82Å; V3254-L3288 HydrophobicContact CG2-CD2 3.96Å; Q3268-L3288 WeakPolarHBondContact O-CA 3.33Å; T3269-L3288 HydrophobicContact CG2-CD2 4.28Å
3289	H	93.3	Very high	88.4	Confident	83 Å²	83	64.7 Å²	64.7	38%	0.384	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-140.1	171.2	-175.8	-51.8	84.9	0	0	0	110.4	G3267 Q3268 S3287	G3267-H3289 CarbonylContact C-O 3.37Å; G3267-H3289 WeakPolarHBondContact CA-O 3.43Å; Q3268-H3289 PolarHBondContact N-O 3.22Å; Q3268-H3289 PolarHBondContact O-N 3.26Å; S3287-H3289 PolarHBondContact O-CE1 2.96Å; S3287-H3289 PolarHBondContact O-ND1 3.14Å; S3287-H3289 VanDerWaalsContact O-ND1 3.17Å
3290	G	91.9	Very high	86.9	Confident	21 Å²	21	72.7 Å²	72.7	22%	0.216	40%	0.401	C	S	.	.	S	Bend	trans	-61.7	163.5	167.4	0	0	0	0	0	112.3	M3292	G3290-M3292 WeakPolarHBondContact O-CG 3.43Å; G3290-M3292 PolarHBondContact O-N 2.98Å
3291	L	90	Very high	85	Confident	75 Å²	75	79.1 Å²	79.1	39%	0.393	43%	0.426	S	S	.	.			trans	-58.1	111.7	-179.9	-74	170	0	0	0	112.2	F3265 Q3268	F3265-L3291 HydrophobicContact CD1-CD1 4.38Å; F3265-L3291 HydrophobicContact CD1-CG 4.1Å; F3265-L3291 HydrophobicContact CD2-CD1 4.21Å; F3265-L3291 HydrophobicContact CD2-CD2 3.81Å; F3265-L3291 HydrophobicContact CD2-CG 3.94Å; F3265-L3291 HydrophobicContact CE1-CD2 4.39Å; F3265-L3291 HydrophobicContact CE1-CG 3.8Å; F3265-L3291 HydrophobicContact CE2-CD1 4.38Å; F3265-L3291 HydrophobicContact CE2-CD2 3.3Å; F3265-L3291 HydrophobicContact CE2-CG 3.61Å; F3265-L3291 HydrophobicContact CG-CD1 4.19Å; F3265-L3291 HydrophobicContact CG-CG 4.15Å; F3265-L3291 HydrophobicContact CZ-CB 4.44Å; F3265-L3291 HydrophobicContact CZ-CD2 3.62Å; F3265-L3291 HydrophobicContact CZ-CG 3.52Å; Q3268-L3291 HydrophobicContact CB-CD2 4.46Å
3292	M	88.9	Confident	82.7	Confident	113 Å²	113	83 Å²	83	56%	0.557	45%	0.448	S	S	*	.			trans	-105.7	148.9	174.2	-62	-168.9	73.7	0	0	111	Q3268 I3270 G3290	Q3268-M3292 PolarHBondContact NE2-O 2.86Å; Q3268-M3292 PolarHBondContact OE1-O 2.77Å; I3270-M3292 HydrophobicContact CD1-CB 4.06Å; G3290-M3292 WeakPolarHBondContact O-CG 3.43Å; G3290-M3292 PolarHBondContact O-N 2.98Å
3293	P	87.3	Confident	80.4	Confident	84 Å²	84	84.2 Å²	84.2	55%	0.545	46%	0.464	S	S	.	.			trans	-70.1	132.2	172.7	29.2	-33.9	0	0	0	110.9	M3053 V3295	M3053-P3293 HydrophobicContact CE-CB 4.48Å; P3293-V3295 PolarHBondContact O-N 3.41Å
3294	V	86.6	Confident	78	Confident	38 Å²	38	85.7 Å²	85.7	23%	0.23	48%	0.476	C	S	.	.			trans	-72	108.8	-180	-177.1	0	0	0	0	110.6	H3207 V3249 E3251 I3270 I3296	H3207-V3294 HydrophobicContact CB-CG1 4Å; V3249-V3294 HydrophobicContact CB-CG1 4.23Å; V3249-V3294 HydrophobicContact CG1-CG1 4.03Å; E3251-V3294 HydrophobicContact CB-CG2 4.35Å; E3251-V3294 HydrophobicContact CG-CG2 4.37Å; I3270-V3294 HydrophobicContact CD1-CG2 4.15Å; V3294-I3296 PolarHBondContact O-N 3.3Å
3295	V	84.8	Confident	75.2	Confident	120 Å²	120	88.6 Å²	88.6	73%	0.727	50%	0.502	S	S	*	.			trans	-92.1	97.9	178.5	-176.8	0	0	0	0	110.3	P3293	P3293-V3295 PolarHBondContact O-N 3.41Å
3296	I	82.3	Confident	72.6	Confident	62 Å²	62	90 Å²	90	32%	0.318	52%	0.524	S	S	.	.			trans	-64.1	130.5	177.8	-62.1	170.8	0	0	0	110.6	H3207 P3208 R3247 V3294 V3298	H3207-I3296 HydrophobicContact CB-CD1 4.48Å; H3207-I3296 HydrophobicContact CB-CG1 4.36Å; P3208-I3296 HydrophobicContact CB-CD1 3.9Å; P3208-I3296 HydrophobicContact CG-CD1 4.36Å; R3247-I3296 WeakPolarHBondContact O-CG2 3.3Å; V3294-I3296 PolarHBondContact O-N 3.3Å; I3296-V3298 PolarHBondContact O-N 2.95Å
3297	P	75.4	Confident	69.8	Low	40 Å²	40	98.8 Å²	98.8	26%	0.26	56%	0.562	S	S	.	*			trans	-59.5	96.1	177.3	-28	35.7	0	0	0	114	V3249	V3249-P3297 HydrophobicContact CG2-CG 4.11Å
3298	V	71.2	Confident	67	Low	121 Å²	121	102.9 Å²	102.9	73%	0.733	59%	0.585	S	S	*	*			trans	-66.8	127.1	170.7	-176.6	0	0	0	0	109	I3296 K3300	I3296-V3298 PolarHBondContact O-N 2.95Å; V3298-K3300 PolarHBondContact O-N 3.16Å
3299	P	63.5	Low	64.1	Low	74 Å²	74	107.7 Å²	107.7	48%	0.481	62%	0.619	S	S	.	*			trans	-63.2	109.6	178.4	24.6	-33.2	0	0	0	110.3	K3301	P3299-K3301 PolarHBondContact O-N 3.23Å
3300	K	58.2	Low	61.6	Low	203 Å²	203	109.3 Å²	109.3	88%	0.883	64%	0.64	S	S	*	*			trans	-58.7	103.3	178.1	-67.7	179.1	-178.8	174.4	0	109.5	V3298 S3302	V3298-K3300 PolarHBondContact O-N 3.16Å; K3300-S3302 PolarHBondContact O-N 3.43Å
3301	K	50	Low	59	Low	201 Å²	201	115.4 Å²	115.4	87%	0.874	67%	0.667	S	S	*	*			trans	-56.6	112.8	172.8	-72.6	-174.6	178	-179	0	108.5	P3299 V3303	P3299-K3301 PolarHBondContact O-N 3.23Å; K3301-V3303 PolarHBondContact O-N 3.2Å
3302	S	44	Very low	56.4	Low	116 Å²	116	116.7 Å²	116.7	81%	0.811	68%	0.683	S	S	*	*			trans	-71.2	89.8	-177.2	56.2	0	0	0	0	110.6	K3300 S3304	K3300-S3302 PolarHBondContact O-N 3.43Å; S3302-S3304 PolarHBondContact O-N 3.23Å
3303	V	45.4	Very low	54.1	Low	138 Å²	138	116.5 Å²	116.5	84%	0.836	69%	0.693	S	S	*	*			trans	-63.4	104.2	167.4	-179.9	0	0	0	0	107.3	K3301 S3305	K3301-V3303 PolarHBondContact O-N 3.2Å; V3303-S3305 PolarHBondContact O-N 3.35Å
3304	S	44.3	Very low	51.6	Low	103 Å²	103	123.6 Å²	123.6	72%	0.72	71%	0.708	S	S	*	*			trans	-68.1	96.2	-171.9	55.1	0	0	0	0	111.3	S3302 S3306	S3302-S3304 PolarHBondContact O-N 3.23Å; S3304-S3306 VanDerWaalsContact C-N 3.3Å; S3304-S3306 PolarHBondContact O-N 3.07Å
3305	S	37.9	Very low	49.1	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	74%	0.74	S	S	*	*			trans	-74.6	77.9	178.8	57.8	0	0	0	0	111.5	V3303 K3307	V3303-S3305 PolarHBondContact O-N 3.35Å; S3305-K3307 VanDerWaalsContact C-N 3.29Å; S3305-K3307 PolarHBondContact O-N 3.43Å
3306	S	40.6	Very low	46.7	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	74%	0.743	S	S	*	*			trans	-70.1	77.3	179.6	59	0	0	0	0	112.4	S3304	S3304-S3306 VanDerWaalsContact C-N 3.3Å; S3304-S3306 PolarHBondContact O-N 3.07Å
3307	K	37.5	Very low	44.6	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	77%	0.77	S	S	*	*			trans	-80.4	112.3	162.9	-78.7	-178	175.6	175.8	0	109.3	S3305	S3305-K3307 VanDerWaalsContact C-N 3.29Å; S3305-K3307 PolarHBondContact O-N 3.43Å
3308	T	37.9	Very low	42.9	Very low	140 Å²	140	139.4 Å²	139.4	86%	0.859	79%	0.791	S	S	*	*			trans	-103.9	117.4	166.7	51	0	0	0	0	110
3309	S	36.2	Very low	41.5	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	79%	0.788	S	S	*	*			trans	-96.1	177.6	172.9	49.7	0	0	0	0	111.9
3310	S	39.8	Very low	40.2	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	80%	0.803	S	S	*	*			trans	75.9	145.7	174.2	79	0	0	0	0	116.6
3311	D	37.3	Very low	39.3	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	79%	0.789	S	S	*	*			cis	-158.2	163	-30.5	-151.5	-20	0	0	0	111.5
3312	S	35.5	Very low	38.8	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	78%	0.778	S	S	*	*			trans	-3.5	126.5	159	-60.7	0	0	0	0	122
3313	S	40.4	Very low	38.6	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	78%	0.778	S	S	*	*				-164.2	118.9	121.6	66.8	0	0	0	0	116.4
3314	R	35.7	Very low	38.3	Very low	232 Å²	232	131.1 Å²	131.1	88%	0.875	77%	0.766	S	S	*	*			trans	35	109.2	135.2	-57.3	175.2	-172.9	-178.9	2	118.9
3315	Q	33.5	Very low	38	Very low	192 Å²	192	137 Å²	137	90%	0.897	77%	0.773	S	S	*	*				57.6	108.8	91.6	-71.5	-172.4	-7.3	0	0	117.3
3316	A	35.2	Very low	37.9	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	78%	0.779	S	S	*	*				177	151.4	110.6	0	0	0	0	0	114.5
3317	K	36.8	Very low	37.9	Very low	203 Å²	203	142.4 Å²	142.4	88%	0.883	77%	0.773	S	S	*	*			trans	1.1	142.1	153.6	-56.1	165.6	-176.6	172.2	0	117.5
3318	S	40.5	Very low	37.9	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	76%	0.763	S	S	*	*			cis	-163	123.8	47.1	60.3	0	0	0	0	116.5
3319	S	41.5	Very low	38.1	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	76%	0.761	S	S	*	*				52.4	126.4	123.6	73.1	0	0	0	0	123.8
3320	K	36.9	Very low	38	Very low	180 Å²	180	138.6 Å²	138.6	78%	0.783	76%	0.758	S	S	*	*				73	149.7	123.6	-73.1	176	158.1	-95.5	0	118.8
3321	D	38.2	Very low	38	Very low	111 Å²	111	143.1 Å²	143.1	59%	0.594	76%	0.763	S	S	*	*			cis	-153.5	168.2	-3	-133.1	-43.3	0	0	0	111.8
3322	S	39.6	Very low	37.8	Very low	93 Å²	93	141.2 Å²	141.2	65%	0.65	76%	0.761	S	S	*	*			trans	50.4	120.4	148	74.2	0	0	0	0	119.3
3323	S	40.4	Very low	38.1	Very low	115 Å²	115	141 Å²	141	80%	0.804	76%	0.757	S	S	*	*				128.6	152.3	77.3	-99.1	0	0	0	0	109.5
3324	S	38.2	Very low	37.9	Very low	84 Å²	84	144.4 Å²	144.4	59%	0.587	76%	0.758	S	S	*	*			cis	-167.9	162.5	-14.9	68.5	0	0	0	0	112.7
3325	R	38.2	Very low	38	Very low	228 Å²	228	139.1 Å²	139.1	86%	0.86	75%	0.747	S	S	*	*			trans	76.4	133.1	145	-75.3	165.5	179.2	-175.3	-0.6	122.1
3326	R	35.4	Very low	37.9	Very low	239 Å²	239	137.4 Å²	137.4	90%	0.902	74%	0.739	S	S	*	*			trans	73.9	138.6	153.7	-73.2	-174.6	168.6	173.1	-4.5	117.7
3327	S	40.9	Very low	37.7	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	73%	0.734	S	S	*	*			cis	-160.3	140.1	-9.2	37.9	0	0	0	0	114
3328	T	37.2	Very low	37.4	Very low	107 Å²	107	137.1 Å²	137.1	66%	0.656	73%	0.728	S	S	*	*				26	125.4	123.6	-18.9	0	0	0	0	116.5	N3330	T3328-N3330 HydrophobicContact CG2-CB 4.45Å
3329	V	42.3	Very low	37	Very low	134 Å²	134	135.7 Å²	135.7	81%	0.812	72%	0.718	S	S	*	*				-148.2	127.1	60.9	160.8	0	0	0	0	110
3330	N	34.2	Very low	36.5	Very low	131 Å²	131	137.5 Å²	137.5	70%	0.701	72%	0.716	S	S	*	*				72.6	90.6	62.4	-88.7	7.9	0	0	0	116.9	T3328	T3328-N3330 HydrophobicContact CG2-CB 4.45Å
3331	K	39.1	Very low	36.4	Very low	212 Å²	212	138 Å²	138	92%	0.922	71%	0.713	S	S	*	*			trans	163.8	142.1	134.4	-93.1	169.3	-179.8	-176.4	0	110.2
3332	S	33.7	Very low	36.2	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	72%	0.72	S	S	*	*			cis	-158.5	135.1	-25.6	-167.5	0	0	0	0	108.2
3333	P	43	Very low	35.7	Very low	98 Å²	98	140.1 Å²	140.1	64%	0.636	72%	0.723	S	S	*	*			trans	-88.5	167.3	177.1	37.4	-36.3	0	0	0	112.3
3334	K	35.2	Very low	35.5	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.787	75%	0.747	S	S	*	*			trans	-165.7	154.1	146.5	-79.7	-152.4	155.8	-148.3	0	109.4
3335	D	38.7	Very low	35.4	Very low	120 Å²	120	147.8 Å²	147.8	64%	0.642	76%	0.755	S	S	*	*			cis	-166.5	103.6	-25.3	-86.7	-23.3	0	0	0	101.9
3336	Q	31.2	Very low	35.2	Very low	157 Å²	157	143.5 Å²	143.5	73%	0.734	75%	0.749	S	S	*	*			cis	87.3	140.7	26.4	-150.8	-175.1	108.5	0	0	114.5
3337	L	29.8	Very low	35.2	Very low	131 Å²	131	138.2 Å²	138.2	69%	0.686	74%	0.741	S	S	*	*			trans	73.3	145	-178.4	-72.3	105.7	0	0	0	115.8
3338	H	31.2	Very low	34.9	Very low	160 Å²	160	140.9 Å²	140.9	74%	0.741	75%	0.746	S	S	*	*			cis	-165.8	170.8	-14.8	-133.4	40	0	0	0	112.7
3339	S	31.7	Very low	34.7	Very low	73 Å²	73	143.1 Å²	143.1	51%	0.51	75%	0.752	S	S	.	*			trans	76.3	110.2	141.6	-73.1	0	0	0	0	124
3340	Q	31.9	Very low	34.2	Very low	134 Å²	134	143.7 Å²	143.7	63%	0.626	75%	0.748	S	S	*	*				89.9	112.3	110.6	-71.8	-179.9	60.7	0	0	122.4
3341	R	34	Very low	34.2	Very low	190 Å²	190	144.6 Å²	144.6	72%	0.717	75%	0.751	S	S	*	*				98.9	113.3	111.8	-80.7	-178.8	164.6	157.8	-15.8	121
3342	I	33.3	Very low	33.8	Very low	146 Å²	146	139.4 Å²	139.4	75%	0.749	74%	0.738	S	S	*	*				82.1	128.1	121	-67.5	171	0	0	0	119
3343	S	31.1	Very low	33.9	Very low	102 Å²	102	142 Å²	142	71%	0.713	74%	0.737	S	S	*	*			trans	70.8	91.8	152.6	-171.8	0	0	0	0	118.8
3344	T	35.1	Very low	33	Very low	212 Å²	212	146 Å²	146	100%	1.301	75%	0.746	S	S	*	*				-141.3	0	94.9	-15.1	0	0	0	0	109.9

Retrieved 3,344 of 3,344 residues in 3083.7 ms (Link to these results)

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