A0A087XYI3_POEFO Loading...

Phosphatidylinositol 4-kinase beta

AlphaFold DB , UniProt , Accession A0A087XYI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 886 aa.

						>A0A087XYI3_POEFO|A0A087XYI3
MADTEVSLSPALRPLHISPAHSAQPPASPRSSSPSGSISSTGSLGSSSEGIGSSGVSSGGDQRGPSPLLDVISEDAMEMDLVVDQVIDPEVALKACQEVLLKVKLLDNKQQQDDQKHADTTDCCGPPWHMNPDTSSIREEEEENDDEGQRETPAAQKQTPPAAPSESPSPSSSKQSWLLRLFESKLFDVSMAISYLYKSKEPGVQAYIGNRLFSFPDGEVDFYLPQLLNMYVHMDTEVGDAIKPYLVHRCRSSITFSLLSAWLLGAYSSDMHISTQRHSRGTKLRKLILSDDLKPRSDEPSSVSGSVSDSPLPSPPHHHRRHNSSNVDACGSPDSADQGDVFVSPSRRTHQRSKSDATMASGFPGAGLRRTGSNPKVEAVHEEPERLRPQREFVKSLFCIGKRLATLPTKEQKTQRLISELSLLNHKLPARVWLPTAEHQHHVCRVPHTQAVVLNSKDKAPYIIYVEVLECNSFETSPVPTRIPETRIRSARSAENLDCGTPGNGSSMTSEHRAGSFSTVPNYDNDDDAWATDDIGQLQVEGEAQTSSSDNISQFSVDSITSLESKEPVFIAAGDIRRRLSENLAQTPTTFRRDPEDPSAVALKEPWEEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLRQELLAYQFLKQLQSIWQQERVPLWIKPYKILVMSSDSGMIEPVLNAVSLHQVRKQSQLSLLDYFLQEHGSFTTEAFLTAQRNFVQSCAGYSLICYLLQVKDRHNGNILLDSEGHIIHIDFGFILSSSPRNLGFETSAFKLTSEFVDVMGGLDGDMFIYYKMLMLQGLIAARKHMEKVLQIVEIMQQGSHLPCFHGSSTIRGLKERFHMSLTEEQLQLLVEQLVDGSMRSITTKLYDSFQYVTNGIM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	32.2	Very low	240 Å²	240	140.5 Å²	140.5	100%	1.182	85%	0.845	S	S	*	*				0	141.4	0	-82.8	-176.4	167.2	0	0	107.2
2	A	34.5	Very low	32.1	Very low	101 Å²	101	143.5 Å²	143.5	84%	0.835	85%	0.852	S	S	*	*			trans	66.1	84.5	-169.2	0	0	0	0	0	113.8
3	D	32.5	Very low	31.9	Very low	149 Å²	149	150.7 Å²	150.7	80%	0.797	86%	0.855	S	S	*	*			trans	-64.6	166.9	158.4	-42.7	-91.5	0	0	0	109.3
4	T	31.2	Very low	31.9	Very low	132 Å²	132	148.2 Å²	148.2	81%	0.81	85%	0.848	S	S	*	*				-173.4	163.8	80.6	-51.2	0	0	0	0	110.3
5	E	30.3	Very low	31.8	Very low	177 Å²	177	149.5 Å²	149.5	83%	0.827	85%	0.85	S	S	*	*			trans	-63.7	160.6	-175.3	-48	166.9	120.5	0	0	116.5
6	V	30	Very low	31.5	Very low	141 Å²	141	150.8 Å²	150.8	86%	0.855	85%	0.846	S	S	*	*			trans	-137.4	98.6	149.1	-176.6	0	0	0	0	111.3
7	S	26	Very low	31.6	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	85%	0.845	S	S	*	*			trans	37.4	124.7	144.6	-53.6	0	0	0	0	122.8
8	L	28.1	Very low	31.5	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	84%	0.836	S	S	*	*			trans	-100.6	164	159.8	-89.1	162.9	0	0	0	112.1
9	S	33.1	Very low	31.8	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	84%	0.837	S	S	*	*			trans	74.6	168.3	162.9	-48.7	0	0	0	0	116.4
10	P	46.9	Very low	31.7	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	83%	0.832	S	S	*	*			cis	-136.2	-167.4	4.6	43.7	-26.3	0	0	0	116.6
11	A	27.7	Very low	31.7	Very low	88 Å²	88	146.1 Å²	146.1	73%	0.727	83%	0.831	S	S	*	*			trans	90.6	78	151.6	0	0	0	0	0	120.3
12	L	31.8	Very low	31.5	Very low	176 Å²	176	139.9 Å²	139.9	92%	0.921	81%	0.811	S	S	*	*			trans	-60	145.1	143.6	-74.9	160.8	0	0	0	110.4
13	R	29.4	Very low	31.2	Very low	237 Å²	237	140 Å²	140	89%	0.894	81%	0.812	S	S	*	*			trans	-110.1	123.4	166.9	-75.9	-174.3	175.3	-176.3	-1	110.2
14	P	31.6	Very low	31.3	Very low	116 Å²	116	142.2 Å²	142.2	75%	0.753	82%	0.817	S	S	*	*			trans	-75.8	138.1	169.6	31.3	-32.7	0	0	0	110.5
15	L	30.4	Very low	31.5	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	81%	0.814	S	S	*	*			trans	-85.3	114.4	169.6	-82.9	167.2	0	0	0	109.6	I17	L15-I17 PolarHBondContact O-N 3.25Å
16	H	27.3	Very low	32	Very low	171 Å²	171	139 Å²	139	79%	0.792	82%	0.815	S	S	*	*			trans	-67.6	127.1	168.5	-101.5	-95.3	0	0	0	110.3
17	I	32	Very low	32	Very low	162 Å²	162	137.1 Å²	137.1	83%	0.831	81%	0.813	S	S	*	*			trans	-111.2	120.8	160.4	-61.6	177.2	0	0	0	106.8	L15	L15-I17 PolarHBondContact O-N 3.25Å
18	S	29.5	Very low	32.3	Very low	97 Å²	97	137 Å²	137	68%	0.678	81%	0.813	S	S	*	*			trans	-105.1	139.8	174.4	-65.9	0	0	0	0	109.9
19	P	38.4	Very low	32.9	Very low	132 Å²	132	135.1 Å²	135.1	86%	0.857	81%	0.81	S	S	*	*			trans	-83.7	154	-173.2	33.8	-36.3	0	0	0	113.1
20	A	29.3	Very low	32.8	Very low	90 Å²	90	140.9 Å²	140.9	74%	0.744	82%	0.815	S	S	*	*			trans	-141.7	113.6	171.5	0	0	0	0	0	112.7
21	H	31.3	Very low	32	Very low	175 Å²	175	140.2 Å²	140.2	81%	0.81	81%	0.813	S	S	*	*			trans	42.3	93.5	150.4	-65.4	-69.4	0	0	0	121.8
22	S	30.3	Very low	32.1	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	82%	0.818	S	S	*	*				28.5	115.1	112.7	63	0	0	0	0	119.7
23	A	29.1	Very low	32.2	Very low	103 Å²	103	138.6 Å²	138.6	85%	0.851	81%	0.811	S	S	*	*			trans	-136.5	143.3	151.1	0	0	0	0	0	109.6
24	Q	32.8	Very low	32.8	Very low	195 Å²	195	133.5 Å²	133.5	91%	0.911	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-99.1	159.8	-178.8	-96.2	-175.2	-26.4	0	0	112.6
25	P	37.2	Very low	32.8	Very low	114 Å²	114	133.9 Å²	133.9	74%	0.74	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86.6	155.1	-171.4	35	-36.6	0	0	0	114
26	P	39	Very low	32.7	Very low	129 Å²	129	129.6 Å²	129.6	84%	0.838	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-80.2	150	162.1	34.1	-32.9	0	0	0	111.5
27	A	30.2	Very low	32.8	Very low	100 Å²	100	126.5 Å²	126.5	83%	0.826	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-97.5	169.2	-176.2	0	0	0	0	0	114
28	S	33.2	Very low	32.8	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.1	150.9	-179.8	-32.1	0	0	0	0	114.2
29	P	40.9	Very low	32.7	Very low	127 Å²	127	126.4 Å²	126.4	83%	0.825	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-90.1	173.3	146.7	34.9	-30	0	0	0	111.6
30	R	29.5	Very low	32.3	Very low	234 Å²	234	124.9 Å²	124.9	88%	0.883	80%	0.8	S	S	*	*			trans	-114.7	150.9	-165.3	-56.9	173.4	168.7	177.8	-5.7	114.5
31	S	32	Very low	32.3	Very low	110 Å²	110	127.7 Å²	127.7	77%	0.769	81%	0.808	S	S	*	*			trans	29.4	123.9	139.7	66.7	0	0	0	0	121.6
32	S	29.7	Very low	32.2	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	80%	0.8	S	S	*	*			trans	-161.7	128.7	130.4	55	0	0	0	0	111.7
33	S	32.5	Very low	32.2	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	80%	0.804	S	S	*	*			trans	-81.1	168.9	161.1	-51.2	0	0	0	0	110.1
34	P	43.3	Very low	32.4	Very low	130 Å²	130	126.8 Å²	126.8	84%	0.844	81%	0.809	S	S	*	*				-140.3	161.8	106.4	38.4	-27.7	0	0	0	114.8
35	S	31.6	Very low	32.1	Very low	123 Å²	123	120.5 Å²	120.5	86%	0.86	80%	0.797	S	S	*	*			trans	-85.9	151.1	173.3	-47.3	0	0	0	0	111.7
36	G	28.5	Very low	31.9	Very low	78 Å²	78	121 Å²	121	80%	0.804	80%	0.803	S	S	*	*			trans	-159.9	121.4	170.7	0	0	0	0	0	111.6
37	S	29.1	Very low	31.5	Very low	105 Å²	105	119.4 Å²	119.4	73%	0.734	80%	0.795	S	S	*	*			trans	-108.2	179	177.4	-51.8	0	0	0	0	110.8
38	I	30.5	Very low	31.7	Very low	166 Å²	166	119.7 Å²	119.7	85%	0.851	79%	0.791	S	S	*	*			trans	62.2	151.2	165.5	65.7	162.6	0	0	0	117.9
39	S	27.9	Very low	31.8	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	80%	0.796	S	S	*	*			cis	-173.9	156.8	-26.9	57.6	0	0	0	0	110.8
40	S	29.9	Very low	31.2	Very low	100 Å²	100	120.6 Å²	120.6	70%	0.699	79%	0.789	S	S	*	*			trans	77.6	142.1	147.7	-54	0	0	0	0	121.7
41	T	30.1	Very low	31.4	Very low	149 Å²	149	118.4 Å²	118.4	91%	0.914	79%	0.793	S	S	*	*			trans	62.5	146.1	160.2	54.3	0	0	0	0	118.9
42	G	28.6	Very low	31.3	Very low	63 Å²	63	116.5 Å²	116.5	65%	0.649	79%	0.791	S	S	*	*			cis	-176.6	134.7	-8.1	0	0	0	0	0	109
43	S	29.7	Very low	31.6	Very low	120 Å²	120	116.9 Å²	116.9	84%	0.839	79%	0.793	S	S	*	*				87.4	148.3	89.1	-62	0	0	0	0	115.7
44	L	33.7	Very low	31.6	Very low	184 Å²	184	117.3 Å²	117.3	96%	0.963	80%	0.797	S	S	*	*			trans	79.2	138.4	177	-49.2	173.5	0	0	0	116
45	G	28	Very low	31.1	Very low	63 Å²	63	114.2 Å²	114.2	65%	0.649	79%	0.788	S	S	*	*			cis	-149.5	155	-4.6	0	0	0	0	0	111.1
46	S	32.3	Very low	31.2	Very low	126 Å²	126	115.6 Å²	115.6	88%	0.881	79%	0.791	S	S	*	*				67.7	128.8	85.9	-166	0	0	0	0	112.8
47	S	29.5	Very low	31.5	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	78%	0.784	S	S	*	*			cis	-148	140.9	37.3	44.2	0	0	0	0	111.6
48	S	35	Very low	31.7	Very low	106 Å²	106	117 Å²	117	74%	0.741	79%	0.788	S	S	*	*				57.5	144.9	83.3	83.1	0	0	0	0	115.2
49	E	34.8	Very low	31.7	Very low	193 Å²	193	112.8 Å²	112.8	90%	0.902	79%	0.786	S	S	*	*			cis	-141.8	173.3	22.5	-57.4	178.3	123.6	0	0	111.4
50	G	30	Very low	31.8	Very low	65 Å²	65	112.2 Å²	112.2	67%	0.67	80%	0.795	S	S	*	*			cis	166.3	-178.2	-4.6	0	0	0	0	0	113.4
51	I	33.1	Very low	31.9	Very low	189 Å²	189	113.8 Å²	113.8	97%	0.969	80%	0.795	S	S	*	*			trans	70.4	132	169.6	-43	174.4	0	0	0	116.1
52	G	29	Very low	32.1	Very low	70 Å²	70	112.4 Å²	112.4	72%	0.722	78%	0.779	S	S	*	*			cis	-174.1	179.4	-0.8	0	0	0	0	0	113.9
53	S	35.7	Very low	32.1	Very low	124 Å²	124	119.9 Å²	119.9	87%	0.867	79%	0.787	S	S	*	*			trans	-58	170	-172.1	-37.4	0	0	0	0	116.3
54	S	34	Very low	32.1	Very low	123 Å²	123	117.5 Å²	117.5	86%	0.86	78%	0.781	S	S	*	*			cis	-168	168.2	17.8	40.8	0	0	0	0	109.6
55	G	31.6	Very low	32.7	Very low	64 Å²	64	114.5 Å²	114.5	66%	0.66	77%	0.773	S	S	*	*			cis	157.2	-179.3	-2	0	0	0	0	0	111.8
56	V	34.9	Very low	32.7	Very low	153 Å²	153	116.6 Å²	116.6	93%	0.927	78%	0.778	S	S	*	*			trans	71.4	145.8	168.6	-168.9	0	0	0	0	116.8
57	S	33.6	Very low	33.6	Very low	94 Å²	94	115.7 Å²	115.7	66%	0.657	77%	0.769	S	S	*	*			cis	-172.8	155	-36.5	-175.2	0	0	0	0	109.8
58	S	33.3	Very low	33.6	Very low	118 Å²	118	118.3 Å²	118.3	83%	0.825	78%	0.775	S	S	*	*			trans	71.1	145.8	158.6	-47.4	0	0	0	0	118.7
59	G	30.9	Very low	33.2	Very low	77 Å²	77	119.8 Å²	119.8	79%	0.794	77%	0.774	S	S	*	*			cis	157.3	110.5	-14.3	0	0	0	0	0	116.4
60	G	29.5	Very low	32.8	Very low	81 Å²	81	117 Å²	117	84%	0.835	77%	0.765	S	S	*	*			trans	81.1	170.4	144	0	0	0	0	0	120.1
61	D	33.1	Very low	32.7	Very low	133 Å²	133	119.5 Å²	119.5	71%	0.711	77%	0.767	S	S	*	*			cis	-167.5	164.7	-22.5	-161.5	9.1	0	0	0	111.8
62	Q	33.5	Very low	32.3	Very low	120 Å²	120	117.8 Å²	117.8	56%	0.561	76%	0.758	S	S	*	*			trans	78.4	127.6	145.2	-96.8	172.1	83.3	0	0	124.4
63	R	29.1	Very low	32.1	Very low	219 Å²	219	118.7 Å²	118.7	83%	0.826	75%	0.753	S	S	*	*			trans	93.1	128.3	141.6	-66.4	170	-162.7	-145.8	2.8	121.8
64	G	29.3	Very low	31.8	Very low	70 Å²	70	121.2 Å²	121.2	72%	0.722	75%	0.751	S	S	*	*			trans	-88.2	-156.7	155.1	0	0	0	0	0	112.4
65	P	47.6	Very low	31.4	Very low	121 Å²	121	123 Å²	123	79%	0.786	75%	0.752	S	S	*	*				-151.4	171.1	61.2	42.3	-23.1	0	0	0	118.6
66	S	26.3	Very low	31.3	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	76%	0.757	S	S	*	*			trans	17.7	161.7	134.4	-49	0	0	0	0	123.5
67	P	52.7	Low	30.8	Very low	107 Å²	107	125.8 Å²	125.8	70%	0.695	76%	0.755	S	S	*	*			cis	-150.4	-171.5	-36.3	43.1	-24.3	0	0	0	116.5
68	L	27.8	Very low	31	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	76%	0.764	S	S	*	*			trans	90.5	135.3	142	-86.7	174.6	0	0	0	124.7
69	L	27.5	Very low	30.7	Very low	137 Å²	137	133.2 Å²	133.2	72%	0.717	77%	0.769	S	S	*	*			trans	90.1	113.5	150.5	-66.2	168.2	0	0	0	123.5
70	D	26.3	Very low	30.5	Very low	134 Å²	134	137 Å²	137	72%	0.717	77%	0.771	S	S	*	*				77.8	117	125.6	-71.7	10.5	0	0	0	126.1
71	V	27.3	Very low	30.5	Very low	118 Å²	118	140.8 Å²	140.8	72%	0.715	77%	0.771	S	S	*	*				95.2	110.3	122.2	169.4	0	0	0	0	121.6
72	I	25.8	Very low	30.3	Very low	152 Å²	152	140.8 Å²	140.8	78%	0.779	78%	0.776	S	S	*	*			trans	87.4	128.5	145.3	-76.8	170.5	0	0	0	122.6
73	S	24.9	Very low	30.3	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	78%	0.782	S	S	*	*			trans	63.8	131.1	156.7	-78.8	0	0	0	0	123.7
74	E	28.7	Very low	30.5	Very low	176 Å²	176	137 Å²	137	82%	0.822	78%	0.78	S	S	*	*			trans	29.7	122	131	-60	167	139.9	0	0	117.2
75	D	25.1	Very low	30.8	Very low	162 Å²	162	141.5 Å²	141.5	87%	0.866	78%	0.782	S	S	*	*				-150.6	-175.1	65.8	-137.1	-37.5	0	0	0	114.6
76	A	29.8	Very low	30.7	Very low	94 Å²	94	141.9 Å²	141.9	78%	0.777	78%	0.782	S	S	*	*			trans	-67	149.1	-169.7	0	0	0	0	0	116.4
77	M	24.2	Very low	31.6	Very low	180 Å²	180	142.8 Å²	142.8	89%	0.887	78%	0.777	S	S	*	*			trans	-142.6	154.2	162.7	-151.4	171.2	82.1	0	0	110.7
78	E	38.1	Very low	31.7	Very low	181 Å²	181	141.6 Å²	141.6	85%	0.846	77%	0.765	S	S	*	*			trans	-66.2	153.7	-171.8	-62.9	157.5	120.1	0	0	113.8
79	M	26.9	Very low	32.6	Very low	187 Å²	187	138.8 Å²	138.8	92%	0.921	76%	0.755	S	S	*	*			trans	-135.1	124.8	157.2	-80.2	-162.6	170.1	0	0	110.4
80	D	27.3	Very low	33.7	Very low	157 Å²	157	137.8 Å²	137.8	84%	0.84	75%	0.747	S	S	*	*			trans	-61.5	138.5	177.3	-78.8	-61.6	0	0	0	112.7	V82	D80-V82 PolarHBondContact O-N 3.12Å
81	L	29.1	Very low	35.1	Very low	161 Å²	161	135.5 Å²	135.5	84%	0.843	74%	0.738	S	S	*	*			trans	-78.4	101.9	166.7	-76.2	168.2	0	0	0	109.6	V83	L81-V83 PolarHBondContact O-N 3.19Å; L81-V83 VanDerWaalsContact O-N 3.12Å
82	V	28.2	Very low	36.1	Very low	133 Å²	133	132 Å²	132	81%	0.806	72%	0.722	S	S	*	*			trans	-65.2	109.2	170.1	179.2	0	0	0	0	109.3	D80	D80-V82 PolarHBondContact O-N 3.12Å
83	V	34.3	Very low	37.4	Very low	115 Å²	115	129.6 Å²	129.6	70%	0.697	71%	0.71	S	S	*	*			trans	-96.9	117.3	173.1	179	0	0	0	0	109.1	L81 Q85	L81-V83 PolarHBondContact O-N 3.19Å; L81-V83 VanDerWaalsContact O-N 3.12Å; V83-Q85 PolarHBondContact O-N 3.01Å
84	D	34.2	Very low	38.8	Very low	145 Å²	145	130.7 Å²	130.7	78%	0.775	70%	0.703	S	S	*	*			trans	-65.1	100.7	177.1	-90.5	-38	0	0	0	111.8	V86	D84-V86 PolarHBondContact O-N 3.06Å
85	Q	35.4	Very low	40	Very low	164 Å²	164	124.8 Å²	124.8	77%	0.766	68%	0.684	S	S	*	*			trans	-78.3	80.6	176.1	-67.2	-170.7	7.5	0	0	111.8	V83 I87	V83-Q85 PolarHBondContact O-N 3.01Å; Q85-I87 VanDerWaalsContact C-N 3.26Å; Q85-I87 PolarHBondContact O-N 3.02Å
86	V	43.9	Very low	41.2	Very low	128 Å²	128	120.7 Å²	120.7	78%	0.776	67%	0.668	S	S	*	*			trans	-82.4	71.6	172.2	-169.6	0	0	0	0	110.9	D84	D84-V86 PolarHBondContact O-N 3.06Å
87	I	46.7	Very low	42.2	Very low	126 Å²	126	121.4 Å²	121.4	65%	0.646	66%	0.655	S	S	*	*	S	Bend	trans	151.9	125.9	154.6	-81.4	155.9	0	0	0	108.9	Q85 A92	Q85-I87 VanDerWaalsContact C-N 3.26Å; Q85-I87 PolarHBondContact O-N 3.02Å; I87-A92 HydrophobicContact CG2-CB 4.47Å
88	D	53.2	Low	43.9	Very low	83 Å²	83	117.8 Å²	117.8	44%	0.444	64%	0.636	S	S	.	*			trans	-66.9	125.4	174.5	174.9	-8.7	0	0	0	111.1	E90 V91 A92	D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 2.89Å; D88-E90 WeakPolarHBondContact OD1-CB 3.12Å; D88-E90 PolarHBondContact OD1-N 2.82Å; D88-V91 HydrophobicContact CB-CB 4.24Å; D88-V91 HydrophobicContact CB-CG2 3.84Å; D88-V91 WeakPolarHBondContact O-CB 3.5Å; D88-V91 PolarHBondContact O-N 3Å; D88-A92 PolarHBondContact O-N 3.22Å
89	P	47.9	Very low	44.5	Very low	91 Å²	91	112.8 Å²	112.8	59%	0.591	62%	0.617	S	S	*	*	H	α-helix	trans	-63.2	-27	179.7	26.3	-34.8	0	0	0	113.8	V91 L93	P89-V91 VanDerWaalsContact C-N 3.33Å; P89-L93 VanDerWaalsContact O-CB 3.3Å; P89-L93 WeakPolarHBondContact O-CB 3.5Å; P89-L93 PolarHBondContact O-N 2.92Å
90	E	50.8	Low	45.6	Very low	116 Å²	116	109 Å²	109	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-35.7	171.9	-75.6	-155.1	-177.4	0	0	111.9	D88 L93 K94	D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 2.89Å; D88-E90 WeakPolarHBondContact OD1-CB 3.12Å; D88-E90 PolarHBondContact OD1-N 2.82Å; E90-L93 PolarHBondContact O-N 2.8Å; E90-K94 WeakPolarHBondContact O-CB 3.47Å; E90-K94 WeakPolarHBondContact O-CD 3.25Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.31Å; E90-K94 WeakPolarHBondContact OE2-CE 3.41Å; E90-K94 IonicContact OE2-NZ 3.71Å; E90-K94 PolarHBondContact OE2-NZ 3.1Å
91	V	55.8	Low	46.9	Very low	86 Å²	86	107 Å²	107	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-69.2	-42.1	179.3	176.9	0	0	0	0	110.2	D88 P89 K94 A95	D88-V91 HydrophobicContact CB-CB 4.24Å; D88-V91 HydrophobicContact CB-CG2 3.84Å; D88-V91 WeakPolarHBondContact O-CB 3.5Å; D88-V91 PolarHBondContact O-N 3Å; P89-V91 VanDerWaalsContact C-N 3.33Å; V91-K94 PolarHBondContact O-N 3.04Å; V91-A95 WeakPolarHBondContact O-CB 3.46Å; V91-A95 PolarHBondContact O-N 2.89Å
92	A	47.9	Very low	48.2	Very low	46 Å²	46	104.7 Å²	104.7	38%	0.38	57%	0.572	S	S	.	*	H	α-helix	trans	-60.1	-46.1	172	0	0	0	0	0	111.8	I87 D88 A95 C96	I87-A92 HydrophobicContact CG2-CB 4.47Å; D88-A92 PolarHBondContact O-N 3.22Å; A92-A95 PolarHBondContact O-N 3.34Å; A92-C96 PolarHBondContact O-N 2.71Å; A92-C96 PolarHBondContact O-SG 2.8Å; A92-C96 VanDerWaalsContact O-SG 3.41Å
93	L	53.4	Low	49.1	Very low	100 Å²	100	101.8 Å²	101.8	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-66.3	-39.6	-179.3	-168.2	150.1	0	0	0	112.3	P89 E90 C96 Q97	P89-L93 VanDerWaalsContact O-CB 3.3Å; P89-L93 WeakPolarHBondContact O-CB 3.5Å; P89-L93 PolarHBondContact O-N 2.92Å; E90-L93 PolarHBondContact O-N 2.8Å; L93-C96 PolarHBondContact O-N 3.01Å; L93-Q97 HydrophobicContact CD2-CG 4.34Å; L93-Q97 WeakPolarHBondContact O-CG 3.36Å; L93-Q97 PolarHBondContact O-N 3.48Å
94	K	54.9	Low	49.9	Very low	114 Å²	114	103.3 Å²	103.3	50%	0.496	55%	0.552	S	S	.	*	H	α-helix	trans	-63.4	-42.3	173.1	-74.7	162.2	-171.6	157.9	0	111.7	E90 V91 C96 Q97 E98	E90-K94 WeakPolarHBondContact O-CB 3.47Å; E90-K94 WeakPolarHBondContact O-CD 3.25Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.31Å; E90-K94 WeakPolarHBondContact OE2-CE 3.41Å; E90-K94 IonicContact OE2-NZ 3.71Å; E90-K94 PolarHBondContact OE2-NZ 3.1Å; V91-K94 PolarHBondContact O-N 3.04Å; K94-C96 PolarHBondContact O-N 2.84Å; K94-Q97 PolarHBondContact O-N 3.19Å; K94-E98 PolarHBondContact O-N 3.22Å
95	A	53.8	Low	50.9	Low	51 Å²	51	102 Å²	102	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-61.4	-43.1	174.8	0	0	0	0	0	112.1	V91 A92 Q97 E98 V99	V91-A95 WeakPolarHBondContact O-CB 3.46Å; V91-A95 PolarHBondContact O-N 2.89Å; A92-A95 PolarHBondContact O-N 3.34Å; A95-Q97 PolarHBondContact O-N 2.9Å; A95-E98 PolarHBondContact O-N 2.6Å; A95-V99 WeakPolarHBondContact O-CG2 3.48Å; A95-V99 PolarHBondContact O-N 2.98Å
96	C	48.8	Very low	51.7	Low	77 Å²	77	99.5 Å²	99.5	52%	0.52	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-39.7	174.1	-69.3	0	0	0	0	112.7	A92 L93 K94 V99 L100	A92-C96 PolarHBondContact O-N 2.71Å; A92-C96 PolarHBondContact O-SG 2.8Å; A92-C96 VanDerWaalsContact O-SG 3.41Å; L93-C96 PolarHBondContact O-N 3.01Å; K94-C96 PolarHBondContact O-N 2.84Å; C96-V99 PolarHBondContact O-N 2.72Å; C96-L100 WeakPolarHBondContact O-CG 3.37Å; C96-L100 PolarHBondContact O-N 3.29Å
97	Q	52.2	Low	51.9	Low	109 Å²	109	98 Å²	98	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-66.7	-38.7	175.6	-72.7	-177.6	-1.1	0	0	112.7	L93 K94 A95 L100 L101	L93-Q97 HydrophobicContact CD2-CG 4.34Å; L93-Q97 WeakPolarHBondContact O-CG 3.36Å; L93-Q97 PolarHBondContact O-N 3.48Å; K94-Q97 PolarHBondContact O-N 3.19Å; A95-Q97 PolarHBondContact O-N 2.9Å; Q97-L100 PolarHBondContact O-N 3.23Å; Q97-L101 PolarHBondContact O-N 2.98Å
98	E	58.7	Low	51.9	Low	104 Å²	104	96.9 Å²	96.9	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-64.8	-39.4	175.6	-160.4	-165.8	145.7	0	0	111.8	K94 A95 L101 K102	K94-E98 PolarHBondContact O-N 3.22Å; A95-E98 PolarHBondContact O-N 2.6Å; E98-L101 PolarHBondContact O-N 3.48Å; E98-K102 WeakPolarHBondContact O-CG 3.36Å; E98-K102 PolarHBondContact O-N 2.89Å; E98-K102 WeakPolarHBondContact OE1-CE 3.2Å; E98-K102 IonicContact OE1-NZ 3.94Å; E98-K102 PolarHBondContact OE1-NZ 3.18Å
99	V	51.5	Low	51.6	Low	75 Å²	75	99.2 Å²	99.2	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-45.2	172.8	171.1	0	0	0	0	111.1	A95 C96 L101 K102 V103	A95-V99 WeakPolarHBondContact O-CG2 3.48Å; A95-V99 PolarHBondContact O-N 2.98Å; C96-V99 PolarHBondContact O-N 2.72Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.01Å; V99-K102 PolarHBondContact O-N 3.29Å; V99-V103 HydrophobicContact CG1-CG2 4.45Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.47Å
100	L	49.5	Very low	51.2	Low	109 Å²	109	101.1 Å²	101.1	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-34.3	177.1	-73.2	168.4	0	0	0	112.9	C96 Q97 K104	C96-L100 WeakPolarHBondContact O-CG 3.37Å; C96-L100 PolarHBondContact O-N 3.29Å; Q97-L100 PolarHBondContact O-N 3.23Å; L100-K104 WeakPolarHBondContact O-CG 3.33Å; L100-K104 PolarHBondContact O-N 2.89Å
101	L	55.2	Low	51	Low	113 Å²	113	101.2 Å²	101.2	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-68.8	-43.8	172.4	-78.4	165	0	0	0	112	Q97 E98 V99 V103 K104 L105	Q97-L101 PolarHBondContact O-N 2.98Å; E98-L101 PolarHBondContact O-N 3.48Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.01Å; L101-V103 VanDerWaalsContact C-N 3.35Å; L101-V103 PolarHBondContact O-N 3.36Å; L101-K104 PolarHBondContact O-N 2.98Å; L101-L105 WeakPolarHBondContact O-CG 3.4Å; L101-L105 PolarHBondContact O-N 3.39Å
102	K	55.1	Low	50.2	Low	113 Å²	113	103.2 Å²	103.2	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-39.1	175.7	-75.2	173.4	-179	168.7	0	112.3	E98 V99 L105 L106	E98-K102 WeakPolarHBondContact O-CG 3.36Å; E98-K102 PolarHBondContact O-N 2.89Å; E98-K102 WeakPolarHBondContact OE1-CE 3.2Å; E98-K102 IonicContact OE1-NZ 3.94Å; E98-K102 PolarHBondContact OE1-NZ 3.18Å; V99-K102 PolarHBondContact O-N 3.29Å; K102-L105 PolarHBondContact O-N 3.1Å; K102-L106 WeakPolarHBondContact O-CG 3.38Å; K102-L106 PolarHBondContact O-N 2.91Å
103	V	48.6	Very low	50	Low	72 Å²	72	104.2 Å²	104.2	44%	0.436	53%	0.529	S	S	.	.	H	α-helix	trans	-61.2	-48.1	173.9	170.1	0	0	0	0	111.2	V99 L101 L105 L106 D107	V99-V103 HydrophobicContact CG1-CG2 4.45Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.47Å; L101-V103 VanDerWaalsContact C-N 3.35Å; L101-V103 PolarHBondContact O-N 3.36Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 3.4Å; V103-L106 PolarHBondContact O-N 3.33Å; V103-L106 VanDerWaalsContact O-N 3.12Å; V103-D107 PolarHBondContact O-N 3.4Å
104	K	50.8	Low	49.4	Very low	147 Å²	147	104.9 Å²	104.9	64%	0.639	53%	0.533	S	S	*	.	H	α-helix	trans	-61.9	-33.1	176.9	-74.9	-179.4	176.3	-178.1	0	113.5	L100 L101 N108	L100-K104 WeakPolarHBondContact O-CG 3.33Å; L100-K104 PolarHBondContact O-N 2.89Å; L101-K104 PolarHBondContact O-N 2.98Å; K104-N108 PolarHBondContact O-N 3.48Å
105	L	54.9	Low	48.6	Very low	118 Å²	118	106.7 Å²	106.7	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-72.4	-30.4	175.7	-73.2	167.2	0	0	0	112.7	L101 K102 V103 K109	L101-L105 WeakPolarHBondContact O-CG 3.4Å; L101-L105 PolarHBondContact O-N 3.39Å; K102-L105 PolarHBondContact O-N 3.1Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 3.4Å; L105-K109 WeakPolarHBondContact O-CB 3.38Å; L105-K109 PolarHBondContact O-N 3.15Å
106	L	52	Low	47.8	Very low	112 Å²	112	110 Å²	110	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-74.1	-44.9	174.1	-70.6	167.1	0	0	0	111.7	K102 V103 N108 K109 Q110	K102-L106 WeakPolarHBondContact O-CG 3.38Å; K102-L106 PolarHBondContact O-N 2.91Å; V103-L106 PolarHBondContact O-N 3.33Å; V103-L106 VanDerWaalsContact O-N 3.12Å; L106-N108 PolarHBondContact O-N 3.07Å; L106-K109 PolarHBondContact O-N 2.81Å; L106-Q110 WeakPolarHBondContact O-CB 3.34Å; L106-Q110 PolarHBondContact O-N 3.04Å
107	D	48.2	Very low	47.3	Very low	96 Å²	96	114.1 Å²	114.1	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-53.9	-50.3	175.2	-106.7	1.2	0	0	0	111.7	V103 K109 Q110 Q111	V103-D107 PolarHBondContact O-N 3.4Å; D107-K109 VanDerWaalsContact C-N 3.26Å; D107-K109 PolarHBondContact O-N 3.14Å; D107-Q110 PolarHBondContact O-N 3.43Å; D107-Q111 WeakPolarHBondContact O-CG 3.3Å; D107-Q111 PolarHBondContact O-N 2.84Å
108	N	47.6	Very low	46.6	Very low	103 Å²	103	112.9 Å²	112.9	55%	0.551	57%	0.568	S	S	*	*	H	α-helix	trans	-61.5	-32.9	177.2	-87.6	-13.9	0	0	0	113	K104 L106 Q112	K104-N108 PolarHBondContact O-N 3.48Å; L106-N108 PolarHBondContact O-N 3.07Å; N108-Q112 PolarHBondContact O-N 3.3Å
109	K	45.5	Very low	45.3	Very low	132 Å²	132	114.9 Å²	114.9	57%	0.574	58%	0.582	S	S	*	*	H	α-helix	trans	-76.5	-39.8	-180	-167	177.4	-177.4	-175.1	0	111.4	L105 L106 D107 Q112 D113	L105-K109 WeakPolarHBondContact O-CB 3.38Å; L105-K109 PolarHBondContact O-N 3.15Å; L106-K109 PolarHBondContact O-N 2.81Å; D107-K109 VanDerWaalsContact C-N 3.26Å; D107-K109 PolarHBondContact O-N 3.14Å; K109-Q112 WeakPolarHBondContact O-CB 3.5Å; K109-Q112 PolarHBondContact O-N 3.08Å; K109-Q112 VanDerWaalsContact O-N 3.12Å; K109-D113 PolarHBondContact O-N 3.05Å; K109-D113 VanDerWaalsContact O-N 3.11Å
110	Q	41.3	Very low	44.4	Very low	130 Å²	130	116.5 Å²	116.5	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-65.7	-41.6	178.2	-162.4	155.2	-9.2	0	0	110.9	L106 D107 Q112 D113 D114	L106-Q110 WeakPolarHBondContact O-CB 3.34Å; L106-Q110 PolarHBondContact O-N 3.04Å; D107-Q110 PolarHBondContact O-N 3.43Å; Q110-Q112 VanDerWaalsContact C-N 3.29Å; Q110-Q112 PolarHBondContact O-N 3.02Å; Q110-D113 PolarHBondContact O-N 2.93Å; Q110-D114 PolarHBondContact O-N 3.11Å
111	Q	44.8	Very low	43.5	Very low	119 Å²	119	117.9 Å²	117.9	56%	0.556	61%	0.605	S	S	*	*	H	α-helix	trans	-59.2	-35.9	170	-69.9	177.4	22.1	0	0	113	D107 Q115	D107-Q111 WeakPolarHBondContact O-CG 3.3Å; D107-Q111 PolarHBondContact O-N 2.84Å; Q111-Q115 WeakPolarHBondContact O-CB 3.25Å; Q111-Q115 PolarHBondContact O-N 3.43Å; Q111-Q115 VanDerWaalsContact O-N 3.12Å
112	Q	39.3	Very low	42.2	Very low	127 Å²	127	119.8 Å²	119.8	59%	0.593	62%	0.616	S	S	*	*	H	α-helix	trans	-72.4	-27.9	176.8	-82	-168.9	-8.2	0	0	114.6	N108 K109 Q110 K116	N108-Q112 PolarHBondContact O-N 3.3Å; K109-Q112 WeakPolarHBondContact O-CB 3.5Å; K109-Q112 PolarHBondContact O-N 3.08Å; K109-Q112 VanDerWaalsContact O-N 3.12Å; Q110-Q112 VanDerWaalsContact C-N 3.29Å; Q110-Q112 PolarHBondContact O-N 3.02Å; Q112-K116 WeakPolarHBondContact O-CE 3.35Å; Q112-K116 WeakPolarHBondContact O-CG 3.26Å
113	D	43.7	Very low	40.8	Very low	68 Å²	68	119.3 Å²	119.3	36%	0.364	63%	0.626	S	S	.	*	H	α-helix	trans	-87.3	-34.2	178.6	-69.5	-28	0	0	0	111.5	K109 Q110 Q115 K116 H117	K109-D113 PolarHBondContact O-N 3.05Å; K109-D113 VanDerWaalsContact O-N 3.11Å; Q110-D113 PolarHBondContact O-N 2.93Å; D113-Q115 VanDerWaalsContact C-N 3.3Å; D113-Q115 PolarHBondContact O-N 3.37Å; D113-K116 PolarHBondContact O-N 3.37Å; D113-K116 IonicContact OD1-NZ 2.92Å; D113-K116 PolarHBondContact OD1-NZ 3.46Å; D113-H117 PolarHBondContact O-N 2.55Å
114	D	41.6	Very low	39.7	Very low	113 Å²	113	122.7 Å²	122.7	60%	0.604	65%	0.65	S	S	*	*	H	α-helix	trans	-60.2	-38.7	167.2	-75.8	-29.3	0	0	0	111.6	Q110 K116	Q110-D114 PolarHBondContact O-N 3.11Å; D114-K116 VanDerWaalsContact C-N 3.3Å; D114-K116 PolarHBondContact O-N 2.79Å
115	Q	38	Very low	38.5	Very low	153 Å²	153	119.2 Å²	119.2	72%	0.715	66%	0.656	S	S	*	*	H	α-helix	trans	-64.7	-30.5	176.5	-156.8	86.3	70.5	0	0	112.9	Q111 D113	Q111-Q115 WeakPolarHBondContact O-CB 3.25Å; Q111-Q115 PolarHBondContact O-N 3.43Å; Q111-Q115 VanDerWaalsContact O-N 3.12Å; D113-Q115 VanDerWaalsContact C-N 3.3Å; D113-Q115 PolarHBondContact O-N 3.37Å
116	K	37.4	Very low	37.5	Very low	121 Å²	121	119.6 Å²	119.6	53%	0.526	67%	0.666	S	S	.	*	H	α-helix	trans	-80.8	-35.1	-179.8	-71.3	168.5	-160.1	152.8	0	113	Q112 D113 D114 A118 D119	Q112-K116 WeakPolarHBondContact O-CE 3.35Å; Q112-K116 WeakPolarHBondContact O-CG 3.26Å; D113-K116 PolarHBondContact O-N 3.37Å; D113-K116 IonicContact OD1-NZ 2.92Å; D113-K116 PolarHBondContact OD1-NZ 3.46Å; D114-K116 VanDerWaalsContact C-N 3.3Å; D114-K116 PolarHBondContact O-N 2.79Å; K116-A118 PolarHBondContact O-N 2.83Å; K116-D119 PolarHBondContact O-N 3.26Å
117	H	38.6	Very low	36.8	Very low	162 Å²	162	119.6 Å²	119.6	75%	0.75	67%	0.673	S	S	*	*	H	α-helix	trans	-69.6	-14.2	179.8	-96.6	-58.1	0	0	0	113.7	D113	D113-H117 PolarHBondContact O-N 2.55Å
118	A	36	Very low	35.8	Very low	84 Å²	84	127.3 Å²	127.3	69%	0.694	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-20.6	175.8	0	0	0	0	0	114.7	K116	K116-A118 PolarHBondContact O-N 2.83Å
119	D	31.2	Very low	34.6	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	71%	0.708	S	S	*	*	S	Bend	trans	-112.2	16.3	-161	-147.5	28.5	0	0	0	114	K116	K116-D119 PolarHBondContact O-N 3.26Å
120	T	32.8	Very low	33.6	Very low	108 Å²	108	133 Å²	133	66%	0.663	72%	0.722	S	S	*	*			trans	-139	80.9	-179.6	39	0	0	0	0	113.2
121	T	30.6	Very low	32.7	Very low	138 Å²	138	133.8 Å²	133.8	85%	0.847	73%	0.73	S	S	*	*			trans	-152.3	94.8	164.3	-56.7	0	0	0	0	111.3
122	D	28	Very low	33	Very low	154 Å²	154	132.3 Å²	132.3	82%	0.824	73%	0.731	S	S	*	*			trans	-157	153.1	162.8	-141.3	-27	0	0	0	113.7
123	C	26	Very low	32.3	Very low	103 Å²	103	133 Å²	133	70%	0.696	74%	0.739	S	S	*	*			trans	61.1	111.5	167.2	-65.5	0	0	0	0	122.7
124	C	26.4	Very low	31.5	Very low	142 Å²	142	135.3 Å²	135.3	96%	0.959	76%	0.756	S	S	*	*			trans	49.6	145	137.8	-57.7	0	0	0	0	121.8
125	G	24.3	Very low	30.7	Very low	74 Å²	74	135.3 Å²	135.3	76%	0.763	76%	0.764	S	S	*	*			cis	158.5	-166.8	7.3	0	0	0	0	0	107.7
126	P	34.3	Very low	30	Very low	127 Å²	127	132.7 Å²	132.7	83%	0.825	76%	0.763	S	S	*	*			cis	-120.9	-166.3	-27.7	44.5	-27.6	0	0	0	111.9
127	P	38.3	Very low	29.6	Very low	112 Å²	112	134.2 Å²	134.2	73%	0.727	78%	0.775	S	S	*	*			trans	-111.8	173.7	-165.6	42	-35.1	0	0	0	117.6
128	W	25.6	Very low	29	Very low	258 Å²	258	135.5 Å²	135.5	98%	0.977	77%	0.774	S	S	*	*			trans	-140.5	153.8	165.7	-74.6	105.1	0	0	0	113.7
129	H	24	Very low	28.5	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.815	78%	0.783	S	S	*	*			trans	-92.1	160.9	179.1	-81.5	-115.7	0	0	0	113.1
130	M	23.6	Very low	28.3	Very low	179 Å²	179	139.5 Å²	139.5	88%	0.882	77%	0.773	S	S	*	*				-177.1	158.4	115.9	-96.1	-56	162.5	0	0	113.7
131	N	22.9	Very low	28.2	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	78%	0.784	S	S	*	*			trans	-174.1	156.6	-179.8	-152.9	44.3	0	0	0	108.8
132	P	50.9	Low	28.2	Very low	89 Å²	89	146.5 Å²	146.5	58%	0.578	79%	0.789	S	S	*	*			cis	-124.7	-150.7	-40.6	35.9	-15.6	0	0	0	111.8
133	D	24.5	Very low	28.4	Very low	140 Å²	140	148.2 Å²	148.2	75%	0.749	79%	0.792	S	S	*	*			trans	74.2	146.5	161.4	-62.2	-21.6	0	0	0	119
134	T	26	Very low	28.5	Very low	117 Å²	117	150.9 Å²	150.9	72%	0.718	80%	0.799	S	S	*	*			cis	-158.5	164.5	-2.8	13.7	0	0	0	0	112.4
135	S	25.4	Very low	28.8	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	79%	0.793	S	S	*	*			trans	68.4	155.1	157.9	75.1	0	0	0	0	118.5
136	S	24.3	Very low	29.1	Very low	99 Å²	99	155.1 Å²	155.1	69%	0.692	80%	0.795	S	S	*	*			cis	-167.3	162.3	-16.5	43.8	0	0	0	0	110
137	I	27.3	Very low	29	Very low	152 Å²	152	158 Å²	158	78%	0.779	80%	0.797	S	S	*	*				172	154.9	121.5	-87.2	160.5	0	0	0	109.6
138	R	26.1	Very low	28.6	Very low	190 Å²	190	155.9 Å²	155.9	72%	0.717	80%	0.797	S	S	*	*			trans	-121.9	147.5	176.7	-58.1	161	73.9	-177.7	0.7	108.8	E140	R138-E140 HydrophobicContact CB-CG 4.45Å; R138-E140 IonicContact CZ-OE1 2.93Å; R138-E140 IonicContact CZ-OE2 3.7Å; R138-E140 VanDerWaalsContact NE-CD 3.27Å; R138-E140 IonicContact NE-OE1 2.7Å; R138-E140 PolarHBondContact NE-OE1 2.66Å; R138-E140 IonicContact NE-OE2 3.17Å; R138-E140 PolarHBondContact NE-OE2 2.74Å; R138-E140 IonicContact NH2-OE1 2.69Å; R138-E140 PolarHBondContact NH2-OE1 2.82Å; R138-E140 IonicContact NH2-OE2 2.77Å; R138-E140 PolarHBondContact NH2-OE2 2.76Å
139	E	26.6	Very low	28.9	Very low	191 Å²	191	151.3 Å²	151.3	89%	0.893	79%	0.786	S	S	*	*			trans	-140.6	131.7	159.5	-69.2	-167.8	156	0	0	109.1
140	E	27	Very low	29.2	Very low	123 Å²	123	151.9 Å²	151.9	58%	0.575	78%	0.781	S	S	*	*			trans	-160.7	132.6	-157.4	-65.9	163.6	150.7	0	0	108.7	R138	R138-E140 HydrophobicContact CB-CG 4.45Å; R138-E140 IonicContact CZ-OE1 2.93Å; R138-E140 IonicContact CZ-OE2 3.7Å; R138-E140 VanDerWaalsContact NE-CD 3.27Å; R138-E140 IonicContact NE-OE1 2.7Å; R138-E140 PolarHBondContact NE-OE1 2.66Å; R138-E140 IonicContact NE-OE2 3.17Å; R138-E140 PolarHBondContact NE-OE2 2.74Å; R138-E140 IonicContact NH2-OE1 2.69Å; R138-E140 PolarHBondContact NH2-OE1 2.82Å; R138-E140 IonicContact NH2-OE2 2.77Å; R138-E140 PolarHBondContact NH2-OE2 2.76Å
141	E	30.2	Very low	29.4	Very low	188 Å²	188	151.3 Å²	151.3	88%	0.879	78%	0.776	S	S	*	*			cis	-153.8	147.4	-24.1	-66.1	-173.1	91.2	0	0	106.4
142	E	31.3	Very low	29.6	Very low	204 Å²	204	150.7 Å²	150.7	95%	0.953	78%	0.778	S	S	*	*			trans	-150.6	159.1	176.4	-136.5	168.3	-123.5	0	0	116.2
143	E	31.9	Very low	29.2	Very low	190 Å²	190	152 Å²	152	89%	0.888	79%	0.786	S	S	*	*			trans	-118.2	-154.6	-154.7	-56.2	-176.5	99.1	0	0	115.4
144	N	27.3	Very low	29.3	Very low	159 Å²	159	149.7 Å²	149.7	85%	0.85	79%	0.786	S	S	*	*			trans	-151.1	138.9	161.4	-121.8	-61.7	0	0	0	109.8
145	D	33.5	Very low	29.4	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	79%	0.787	S	S	*	*			trans	-84.9	168.9	-161.2	-47.1	-93.4	0	0	0	116.5
146	D	30.9	Very low	29.6	Very low	152 Å²	152	150.9 Å²	150.9	81%	0.813	79%	0.787	S	S	*	*				-169	169.7	101.5	-158.4	12.2	0	0	0	113.2
147	E	30.8	Very low	29.8	Very low	186 Å²	186	153.7 Å²	153.7	87%	0.869	79%	0.787	S	S	*	*			trans	73.2	138.8	174.3	-62.3	-155.3	141.2	0	0	119
148	G	30.2	Very low	29.8	Very low	69 Å²	69	154.6 Å²	154.6	71%	0.711	79%	0.788	S	S	*	*			trans	-174.4	-177	178.4	0	0	0	0	0	115.3
149	Q	33.1	Very low	30	Very low	162 Å²	162	151.9 Å²	151.9	76%	0.757	79%	0.792	S	S	*	*			trans	73.4	142.2	-175.8	-55	-173.7	36.4	0	0	114.5
150	R	28.9	Very low	30.9	Very low	187 Å²	187	148.1 Å²	148.1	71%	0.706	78%	0.784	S	S	*	*			cis	-156.7	134.8	7.9	-135.4	178.4	-159.2	142.9	9.7	113.8
151	E	28.8	Very low	31.9	Very low	168 Å²	168	147.8 Å²	147.8	79%	0.785	79%	0.793	S	S	*	*			trans	60.4	179	143	-73.5	164.9	179.5	0	0	121.4
152	T	27	Very low	31.9	Very low	131 Å²	131	143.8 Å²	143.8	80%	0.804	79%	0.792	S	S	*	*			trans	-137.6	-165.9	-153.8	63	0	0	0	0	109.9
153	P	42.6	Very low	32	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	78%	0.784	S	S	*	*			cis	-142.5	-169.4	0.2	39.7	-17.4	0	0	0	117.4
154	A	26	Very low	32.6	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	78%	0.78	S	S	*	*			trans	101.5	109.4	139.7	0	0	0	0	0	122.9
155	A	28.8	Very low	32.9	Very low	89 Å²	89	133.6 Å²	133.6	74%	0.736	78%	0.779	S	S	*	*				74.5	115.4	120.6	0	0	0	0	0	124.3
156	Q	28.9	Very low	33.3	Very low	166 Å²	166	135.9 Å²	135.9	78%	0.776	79%	0.785	S	S	*	*			trans	82.1	134.4	133.4	-72.7	-167.7	24.9	0	0	123.9
157	K	27.7	Very low	33.3	Very low	159 Å²	159	133.8 Å²	133.8	69%	0.691	78%	0.782	S	S	*	*			trans	92	125.3	139.6	-84.2	174.3	177.6	176.2	0	122.9
158	Q	29.2	Very low	33.7	Very low	171 Å²	171	130.9 Å²	130.9	80%	0.799	78%	0.779	S	S	*	*			trans	81.4	113.2	134.7	-72.1	168.2	-41.8	0	0	121.2
159	T	28.7	Very low	33.8	Very low	132 Å²	132	132.1 Å²	132.1	81%	0.81	78%	0.777	S	S	*	*			trans	-81.2	-179.3	152.7	53.1	0	0	0	0	110
160	P	46.6	Very low	34.5	Very low	113 Å²	113	130.7 Å²	130.7	73%	0.734	78%	0.782	S	S	*	*			cis	-130.6	-149	4.9	46.9	-28.5	0	0	0	110.9
161	P	48.5	Very low	35.4	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	78%	0.781	S	S	*	*			cis	-132.5	-168.5	-13.9	42.1	-24.5	0	0	0	115.2
162	A	29	Very low	36.5	Very low	104 Å²	104	124 Å²	124	86%	0.86	78%	0.782	S	S	*	*			trans	85.1	144.9	164.3	0	0	0	0	0	118.3
163	A	34	Very low	37.7	Very low	94 Å²	94	122.7 Å²	122.7	78%	0.777	78%	0.779	S	S	*	*			trans	-143.2	176.6	-172.7	0	0	0	0	0	108
164	P	44.7	Very low	38	Very low	125 Å²	125	127 Å²	127	81%	0.812	79%	0.786	S	S	*	*			cis	-126.4	161.9	-0.7	40.3	-26	0	0	0	114.8
165	S	32.3	Very low	39.5	Very low	120 Å²	120	127.3 Å²	127.3	84%	0.839	77%	0.771	S	S	*	*			trans	-147.9	148.9	154.2	54.9	0	0	0	0	109.7
166	E	41.7	Very low	41.9	Very low	201 Å²	201	126.1 Å²	126.1	94%	0.939	76%	0.758	S	S	*	*			trans	-81.2	128.2	-168.1	-61.9	171	129.3	0	0	111.6
167	S	31.8	Very low	44.6	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	76%	0.759	S	S	*	*			trans	-111.6	137.3	164.2	56.4	0	0	0	0	109.7
168	P	38.4	Very low	47.3	Very low	125 Å²	125	123.2 Å²	123.2	81%	0.812	74%	0.739	S	S	*	*			trans	-69.5	139.8	-176	27.8	-34.5	0	0	0	111.5
169	S	33.1	Very low	50	Low	95 Å²	95	118.2 Å²	118.2	66%	0.664	72%	0.717	S	S	*	*			trans	-67.7	125.9	-178.4	49.1	0	0	0	0	112.4	S171	S169-S171 PolarHBondContact O-N 3.41Å
170	P	48.8	Very low	52.8	Low	132 Å²	132	116.5 Å²	116.5	86%	0.857	70%	0.696	S	S	*	*			trans	-80.8	82.1	178.2	32.4	-34.3	0	0	0	110.9
171	S	46	Very low	54.8	Low	97 Å²	97	113.3 Å²	113.3	68%	0.678	67%	0.673	S	S	*	*			trans	-144.4	27	-173.9	68	0	0	0	0	116.3	S169	S169-S171 PolarHBondContact O-N 3.41Å
172	S	51.8	Low	56.8	Low	117 Å²	117	108 Å²	108	82%	0.818	64%	0.638	S	S	*	*			trans	-124.1	4.8	179.8	62.1	0	0	0	0	115.5
173	S	53	Low	59.6	Low	104 Å²	104	107.5 Å²	107.5	73%	0.727	62%	0.618	S	S	*	*	S	Bend	trans	-98.2	121.9	-177	44.6	0	0	0	0	112.9
174	K	49.6	Very low	62.4	Low	208 Å²	208	104.7 Å²	104.7	90%	0.904	59%	0.592	S	S	*	*			trans	96	42.5	177.6	-53.9	177.6	179.4	179.5	0	118.4	S176	K174-S176 PolarHBondContact O-N 3.44Å
175	Q	57.4	Low	64.4	Low	97 Å²	97	109 Å²	109	45%	0.453	60%	0.599	S	S	.	*			trans	-62.6	124.5	149.8	-82.8	-169.1	-46.5	0	0	110.2	R180 E183	Q175-R180 HydrophobicContact CB-CG 4.06Å; Q175-R180 PolarHBondContact O-NE 3.5Å; Q175-R180 PolarHBondContact O-NH2 3.38Å; Q175-R180 VanDerWaalsContact O-NH2 3.11Å; Q175-E183 PolarHBondContact NE2-OE1 3.47Å; Q175-E183 PolarHBondContact NE2-OE2 3.37Å
176	S	79.8	Confident	66.9	Low	65 Å²	65	109.9 Å²	109.9	46%	0.455	59%	0.593	S	S	.	*			trans	-54.6	146.8	176	178.3	0	0	0	0	111.7	K174 L178 L179 R180	K174-S176 PolarHBondContact O-N 3.44Å; S176-L178 PolarHBondContact O-N 3.01Å; S176-L178 PolarHBondContact OG-N 3.15Å; S176-L179 PolarHBondContact O-N 3.12Å; S176-R180 PolarHBondContact O-N 2.82Å
177	W	83.7	Confident	69.3	Low	211 Å²	211	101 Å²	101	80%	0.799	55%	0.551	S	S	*	*	H	α-helix	trans	-57.3	-34	174.6	-77.4	93.5	0	0	0	112.1	R180 L181	W177-R180 VanDerWaalsContact CD1-NH2 3.26Å; W177-R180 VanDerWaalsContact CD2-NH1 3.27Å; W177-L181 PolarHBondContact O-N 3.09Å
178	L	85.5	Confident	72.2	Confident	52 Å²	52	98 Å²	98	27%	0.272	53%	0.527	S	S	.	.	H	α-helix	trans	-69.4	-40.6	177.4	-172.2	64.1	0	0	0	112.4	S176 L181 F182 Y195 V204	S176-L178 PolarHBondContact O-N 3.01Å; S176-L178 PolarHBondContact OG-N 3.15Å; L178-L181 WeakPolarHBondContact O-CB 3.47Å; L178-L181 PolarHBondContact O-N 2.99Å; L178-F182 HydrophobicContact CD1-CD1 4.32Å; L178-F182 HydrophobicContact CD1-CE1 3.54Å; L178-F182 HydrophobicContact CD1-CE2 4.31Å; L178-F182 HydrophobicContact CD1-CZ 3.54Å; L178-F182 HydrophobicContact CD2-CE2 4.15Å; L178-F182 HydrophobicContact CD2-CZ 3.94Å; L178-F182 HydrophobicContact CG-CD2 4.46Å; L178-F182 HydrophobicContact CG-CE1 3.97Å; L178-F182 HydrophobicContact CG-CE2 3.84Å; L178-F182 HydrophobicContact CG-CZ 3.57Å; L178-F182 WeakPolarHBondContact O-CG 3.38Å; L178-F182 PolarHBondContact O-N 2.87Å; L178-Y195 HydrophobicContact CD1-CD1 4.37Å; L178-Y195 HydrophobicContact CD1-CE1 3.7Å; L178-V204 HydrophobicContact CD2-CG2 3.91Å
179	L	85.3	Confident	74.8	Confident	66 Å²	66	92.2 Å²	92.2	35%	0.346	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-43.8	174.6	-70.5	171.1	0	0	0	111	S176 L181 F182 E183 Y207	S176-L179 PolarHBondContact O-N 3.12Å; L179-L181 PolarHBondContact O-N 3.41Å; L179-F182 PolarHBondContact O-N 3.49Å; L179-F182 VanDerWaalsContact O-N 3.13Å; L179-E183 WeakPolarHBondContact O-CB 3.4Å; L179-E183 WeakPolarHBondContact O-CG 3.44Å; L179-E183 PolarHBondContact O-N 2.84Å; L179-Y207 HydrophobicContact CD2-CD2 4.38Å; L179-Y207 HydrophobicContact CD2-CE2 4.08Å
180	R	88.8	Confident	77.7	Confident	96 Å²	96	88.2 Å²	88.2	36%	0.362	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-28.9	173.6	-79.3	-177.9	-78.3	121.3	-2.2	113.1	Q175 S176 W177 S184	Q175-R180 HydrophobicContact CB-CG 4.06Å; Q175-R180 PolarHBondContact O-NE 3.5Å; Q175-R180 PolarHBondContact O-NH2 3.38Å; Q175-R180 VanDerWaalsContact O-NH2 3.11Å; S176-R180 PolarHBondContact O-N 2.82Å; W177-R180 VanDerWaalsContact CD1-NH2 3.26Å; W177-R180 VanDerWaalsContact CD2-NH1 3.27Å; R180-S184 WeakPolarHBondContact O-CB 3.42Å; R180-S184 PolarHBondContact O-N 2.79Å
181	L	88.8	Confident	79.8	Confident	47 Å²	47	84.4 Å²	84.4	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-70.8	-50.3	170.7	-179.6	62.4	0	0	0	111.3	W177 L178 L179 E183 S184 F187 M191 Y195	W177-L181 PolarHBondContact O-N 3.09Å; L178-L181 WeakPolarHBondContact O-CB 3.47Å; L178-L181 PolarHBondContact O-N 2.99Å; L179-L181 PolarHBondContact O-N 3.41Å; L181-E183 VanDerWaalsContact C-N 3.26Å; L181-E183 PolarHBondContact O-N 3.34Å; L181-S184 VanDerWaalsContact O-CB 3.27Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 3.03Å; L181-S184 PolarHBondContact O-OG 3.34Å; L181-F187 HydrophobicContact CG-CD2 4.48Å; L181-F187 WeakPolarHBondContact O-CB 3.33Å; L181-M191 HydrophobicContact CD1-CE 4.11Å; L181-M191 HydrophobicContact CD2-CE 3.98Å; L181-M191 HydrophobicContact CG-CE 4.31Å; L181-Y195 HydrophobicContact CD2-CE2 4.08Å; L181-Y195 WeakPolarHBondContact CD2-OH 3.33Å
182	F	89.7	Confident	82.1	Confident	3 Å²	3	79.8 Å²	79.8	1%	0.013	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-27.3	-178.9	-64.3	-10.7	0	0	0	114	L178 L179 F187 Y195 V204 Y207 I208 R211	L178-F182 HydrophobicContact CD1-CD1 4.32Å; L178-F182 HydrophobicContact CD1-CE1 3.54Å; L178-F182 HydrophobicContact CD1-CE2 4.31Å; L178-F182 HydrophobicContact CD1-CZ 3.54Å; L178-F182 HydrophobicContact CD2-CE2 4.15Å; L178-F182 HydrophobicContact CD2-CZ 3.94Å; L178-F182 HydrophobicContact CG-CD2 4.46Å; L178-F182 HydrophobicContact CG-CE1 3.97Å; L178-F182 HydrophobicContact CG-CE2 3.84Å; L178-F182 HydrophobicContact CG-CZ 3.57Å; L178-F182 WeakPolarHBondContact O-CG 3.38Å; L178-F182 PolarHBondContact O-N 2.87Å; L179-F182 PolarHBondContact O-N 3.49Å; L179-F182 VanDerWaalsContact O-N 3.13Å; F182-F187 AromaticContact CD1-CD2 3.89Å; F182-F187 HydrophobicContact CD1-CD2 3.89Å; F182-F187 HydrophobicContact CD1-CE1 4.33Å; F182-F187 AromaticContact CD1-CE2 3.33Å; F182-F187 HydrophobicContact CD1-CE2 3.33Å; F182-F187 AromaticContact CD1-CZ 3.58Å; F182-F187 HydrophobicContact CD1-CZ 3.58Å; F182-F187 AromaticContact CE1-CE2 3.71Å; F182-F187 HydrophobicContact CE1-CE2 3.71Å; F182-F187 AromaticContact CE1-CZ 3.96Å; F182-F187 HydrophobicContact CE1-CZ 3.96Å; F182-F187 HydrophobicContact CG-CE2 4.33Å; F182-F187 HydrophobicContact CG-CZ 4.24Å; F182-Y195 HydrophobicContact CE1-CD1 4.16Å; F182-Y195 AromaticContact CE1-CD2 3.74Å; F182-Y195 HydrophobicContact CE1-CD2 3.74Å; F182-Y195 HydrophobicContact CE1-CE1 4.35Å; F182-Y195 AromaticContact CE1-CE2 3.95Å; F182-Y195 HydrophobicContact CE1-CE2 3.95Å; F182-Y195 AromaticContact CE1-CG 3.86Å; F182-Y195 HydrophobicContact CE1-CG 3.86Å; F182-Y195 HydrophobicContact CZ-CD1 4.15Å; F182-Y195 HydrophobicContact CZ-CD2 4.43Å; F182-Y195 HydrophobicContact CZ-CG 4.08Å; F182-V204 HydrophobicContact CE2-CG1 4.07Å; F182-V204 HydrophobicContact CZ-CG1 3.9Å; F182-Y207 HydrophobicContact CB-CE1 3.67Å; F182-Y207 AromaticContact CD2-CD1 3.58Å; F182-Y207 HydrophobicContact CD2-CD1 3.58Å; F182-Y207 AromaticContact CD2-CE1 3.55Å; F182-Y207 HydrophobicContact CD2-CE1 3.55Å; F182-Y207 HydrophobicContact CD2-CG 4.34Å; F182-Y207 HydrophobicContact CE2-CD1 4.13Å; F182-Y207 HydrophobicContact CG-CD1 4.39Å; F182-Y207 AromaticContact CG-CE1 3.98Å; F182-Y207 HydrophobicContact CG-CE1 3.98Å; F182-I208 HydrophobicContact CD2-CD1 4.39Å; F182-I208 HydrophobicContact CE1-CD1 4.29Å; F182-I208 HydrophobicContact CE2-CD1 4.15Å; F182-I208 HydrophobicContact CZ-CD1 4.09Å; F182-R211 PolarHBondContact O-NE 3Å; F182-R211 PolarHBondContact O-NH2 3.39Å
183	E	88.5	Confident	84.2	Confident	95 Å²	95	74.2 Å²	74.2	44%	0.444	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.8	174.6	-68.9	170.8	-163.9	0	0	112.9	Q175 L179 L181	Q175-E183 PolarHBondContact NE2-OE1 3.47Å; Q175-E183 PolarHBondContact NE2-OE2 3.37Å; L179-E183 WeakPolarHBondContact O-CB 3.4Å; L179-E183 WeakPolarHBondContact O-CG 3.44Å; L179-E183 PolarHBondContact O-N 2.84Å; L181-E183 VanDerWaalsContact C-N 3.26Å; L181-E183 PolarHBondContact O-N 3.34Å
184	S	91.6	Very high	86.2	Confident	35 Å²	35	70.9 Å²	70.9	25%	0.245	34%	0.338	C	S	.	.	S	Bend	trans	-79.2	158.3	-178.4	80.9	0	0	0	0	113.9	R180 L181 L186 F187	R180-S184 WeakPolarHBondContact O-CB 3.42Å; R180-S184 PolarHBondContact O-N 2.79Å; L181-S184 VanDerWaalsContact O-CB 3.27Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 3.03Å; L181-S184 PolarHBondContact O-OG 3.34Å; S184-L186 PolarHBondContact O-N 3.4Å; S184-L186 PolarHBondContact OG-N 2.82Å; S184-F187 WeakPolarHBondContact O-CB 3.42Å; S184-F187 PolarHBondContact O-N 2.82Å
185	K	86.6	Confident	88.3	Confident	216 Å²	216	64.5 Å²	64.5	94%	0.939	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.5	171.4	-63.1	-174.7	178.5	-176.9	0	114.4
186	L	86	Confident	90.1	Very high	138 Å²	138	59.9 Å²	59.9	72%	0.723	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.8	175.8	-59.5	177.5	0	0	0	112	S184 D188 M191	S184-L186 PolarHBondContact O-N 3.4Å; S184-L186 PolarHBondContact OG-N 2.82Å; L186-D188 PolarHBondContact O-N 2.9Å; L186-M191 VanDerWaalsContact O-SD 3.34Å
187	F	91.1	Very high	90.8	Very high	14 Å²	14	58.7 Å²	58.7	6%	0.061	27%	0.273	C	S	.	.			trans	-85.5	96.6	-174	-165.1	-107.4	0	0	0	111.7	L181 F182 S184 M191 A192 Y195 I208 R211 F215	L181-F187 HydrophobicContact CG-CD2 4.48Å; L181-F187 WeakPolarHBondContact O-CB 3.33Å; F182-F187 AromaticContact CD1-CD2 3.89Å; F182-F187 HydrophobicContact CD1-CD2 3.89Å; F182-F187 HydrophobicContact CD1-CE1 4.33Å; F182-F187 AromaticContact CD1-CE2 3.33Å; F182-F187 HydrophobicContact CD1-CE2 3.33Å; F182-F187 AromaticContact CD1-CZ 3.58Å; F182-F187 HydrophobicContact CD1-CZ 3.58Å; F182-F187 AromaticContact CE1-CE2 3.71Å; F182-F187 HydrophobicContact CE1-CE2 3.71Å; F182-F187 AromaticContact CE1-CZ 3.96Å; F182-F187 HydrophobicContact CE1-CZ 3.96Å; F182-F187 HydrophobicContact CG-CE2 4.33Å; F182-F187 HydrophobicContact CG-CZ 4.24Å; S184-F187 WeakPolarHBondContact O-CB 3.42Å; S184-F187 PolarHBondContact O-N 2.82Å; F187-M191 HydrophobicContact CD2-CB 3.85Å; F187-M191 HydrophobicContact CD2-CE 4.37Å; F187-M191 HydrophobicContact CD2-SD 4.39Å; F187-M191 HydrophobicContact CE2-CB 3.77Å; F187-A192 HydrophobicContact CE1-CB 3.79Å; F187-A192 HydrophobicContact CZ-CB 3.84Å; F187-Y195 AromaticContact CE2-CD2 3.97Å; F187-Y195 HydrophobicContact CE2-CD2 3.97Å; F187-Y195 HydrophobicContact CE2-CE2 4.3Å; F187-I208 HydrophobicContact CE1-CD1 3.96Å; F187-I208 HydrophobicContact CZ-CD1 3.52Å; F187-R211 HydrophobicContact CE1-CG 4.2Å; F187-F215 AromaticContact CD1-CZ 3.9Å; F187-F215 HydrophobicContact CD1-CZ 3.9Å; F187-F215 HydrophobicContact CE1-CZ 4.01Å; F187-F215 WeakPolarHBondContact O-CE1 3.37Å
188	D	92.1	Very high	91.3	Very high	45 Å²	45	53.1 Å²	53.1	24%	0.241	25%	0.254	C	S	.	.			trans	-95.5	176.1	178.1	70.2	25.3	0	0	0	113.4	L186 S190 M191 A192 K816	L186-D188 PolarHBondContact O-N 2.9Å; D188-S190 VanDerWaalsContact C-N 3.28Å; D188-S190 PolarHBondContact O-N 3.15Å; D188-S190 WeakPolarHBondContact OD1-CA 3.48Å; D188-S190 VanDerWaalsContact OD1-CB 3.27Å; D188-S190 WeakPolarHBondContact OD1-CB 3.41Å; D188-S190 PolarHBondContact OD1-N 3.43Å; D188-M191 PolarHBondContact O-N 3.49Å; D188-M191 PolarHBondContact OD1-N 2.7Å; D188-A192 PolarHBondContact O-N 3.11Å; D188-K816 WeakPolarHBondContact OD2-CE 3.08Å; D188-K816 IonicContact OD2-NZ 3.13Å; D188-K816 PolarHBondContact OD2-NZ 2.89Å
189	V	94	Very high	91.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-35.8	178.7	-176.5	0	0	0	0	111.9	A192 I193 F215 E219 V220 Y223	V189-A192 PolarHBondContact O-N 3.46Å; V189-I193 HydrophobicContact CG1-CG1 4.06Å; V189-I193 WeakPolarHBondContact O-CB 3.3Å; V189-I193 VanDerWaalsContact O-CG1 3.27Å; V189-I193 WeakPolarHBondContact O-CG1 3.39Å; V189-I193 PolarHBondContact O-N 2.79Å; V189-F215 HydrophobicContact CG2-CB 3.74Å; V189-F215 HydrophobicContact CG2-CD1 3.64Å; V189-F215 HydrophobicContact CG2-CD2 3.94Å; V189-F215 HydrophobicContact CG2-CE1 4.16Å; V189-F215 HydrophobicContact CG2-CE2 4.43Å; V189-F215 HydrophobicContact CG2-CG 3.52Å; V189-E219 HydrophobicContact CG2-CB 3.81Å; V189-V220 HydrophobicContact CG1-CG2 4.3Å; V189-V220 HydrophobicContact CG2-CG2 4.24Å; V189-Y223 HydrophobicContact CB-CD2 4.34Å; V189-Y223 HydrophobicContact CB-CE2 4.27Å; V189-Y223 HydrophobicContact CG1-CD2 3.55Å; V189-Y223 HydrophobicContact CG1-CE2 3.94Å; V189-Y223 HydrophobicContact CG1-CG 4.47Å
190	S	93.8	Very high	91.9	Very high	10 Å²	10	58 Å²	58	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-45.9	176.7	175.4	0	0	0	0	110.6	D188 A192 I193 S194 Y223 Q819	D188-S190 VanDerWaalsContact C-N 3.28Å; D188-S190 PolarHBondContact O-N 3.15Å; D188-S190 WeakPolarHBondContact OD1-CA 3.48Å; D188-S190 VanDerWaalsContact OD1-CB 3.27Å; D188-S190 WeakPolarHBondContact OD1-CB 3.41Å; D188-S190 PolarHBondContact OD1-N 3.43Å; S190-A192 PolarHBondContact O-N 2.83Å; S190-I193 PolarHBondContact O-N 2.88Å; S190-S194 WeakPolarHBondContact O-CB 3.21Å; S190-S194 PolarHBondContact O-N 3.26Å; S190-Y223 WeakPolarHBondContact CB-OH 3.38Å; S190-Q819 PolarHBondContact O-NE2 3.44Å; S190-Q819 PolarHBondContact O-OE1 3.21Å; S190-Q819 PolarHBondContact OG-OE1 3.13Å
191	M	93.2	Very high	92	Very high	53 Å²	53	59.1 Å²	59.1	26%	0.261	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-45.3	173.3	-66.1	-167.6	70.7	0	0	111.8	L181 L186 F187 D188 S194 Y195	L181-M191 HydrophobicContact CD1-CE 4.11Å; L181-M191 HydrophobicContact CD2-CE 3.98Å; L181-M191 HydrophobicContact CG-CE 4.31Å; L186-M191 VanDerWaalsContact O-SD 3.34Å; F187-M191 HydrophobicContact CD2-CB 3.85Å; F187-M191 HydrophobicContact CD2-CE 4.37Å; F187-M191 HydrophobicContact CD2-SD 4.39Å; F187-M191 HydrophobicContact CE2-CB 3.77Å; D188-M191 PolarHBondContact O-N 3.49Å; D188-M191 PolarHBondContact OD1-N 2.7Å; M191-S194 WeakPolarHBondContact O-CB 3.33Å; M191-S194 PolarHBondContact O-N 2.94Å; M191-S194 VanDerWaalsContact O-N 3.14Å; M191-Y195 HydrophobicContact CE-CE2 4.22Å; M191-Y195 VanDerWaalsContact O-CD2 3.32Å; M191-Y195 WeakPolarHBondContact O-CD2 3.46Å; M191-Y195 PolarHBondContact O-N 3.44Å
192	A	95.1	Very high	92.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-51.6	178.3	0	0	0	0	0	112.5	F187 D188 V189 S190 S194 Y195 L196 I208 F215	F187-A192 HydrophobicContact CE1-CB 3.79Å; F187-A192 HydrophobicContact CZ-CB 3.84Å; D188-A192 PolarHBondContact O-N 3.11Å; V189-A192 PolarHBondContact O-N 3.46Å; S190-A192 PolarHBondContact O-N 2.83Å; A192-S194 PolarHBondContact O-N 3.32Å; A192-Y195 PolarHBondContact O-N 2.7Å; A192-L196 WeakPolarHBondContact O-CB 3.5Å; A192-L196 PolarHBondContact O-N 3.4Å; A192-I208 HydrophobicContact CB-CG2 4.11Å; A192-F215 HydrophobicContact CB-CE2 3.66Å; A192-F215 HydrophobicContact CB-CZ 3.94Å
193	I	95.6	Very high	92.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-31.1	177.1	-62.5	-64.8	0	0	0	111.3	V189 S190 Y197 L212 Y223 L227 M230 I823	V189-I193 HydrophobicContact CG1-CG1 4.06Å; V189-I193 WeakPolarHBondContact O-CB 3.3Å; V189-I193 VanDerWaalsContact O-CG1 3.27Å; V189-I193 WeakPolarHBondContact O-CG1 3.39Å; V189-I193 PolarHBondContact O-N 2.79Å; S190-I193 PolarHBondContact O-N 2.88Å; I193-Y197 WeakPolarHBondContact O-CB 3.41Å; I193-Y197 PolarHBondContact O-N 2.92Å; I193-L212 HydrophobicContact CD1-CD2 4.26Å; I193-Y223 HydrophobicContact CG1-CG 4.28Å; I193-L227 HydrophobicContact CD1-CD1 4.26Å; I193-L227 HydrophobicContact CD1-CD2 3.45Å; I193-L227 VanDerWaalsContact CD1-CD2 3.45Å; I193-L227 HydrophobicContact CD1-CG 3.75Å; I193-M230 HydrophobicContact CG2-SD 4.42Å; I193-I823 HydrophobicContact CG2-CD1 3.47Å; I193-I823 VanDerWaalsContact CG2-CD1 3.47Å
194	S	94.1	Very high	92.3	Very high	34 Å²	34	58.5 Å²	58.5	24%	0.238	30%	0.3	C	S	.	.	H	α-helix	trans	-70.3	-46.4	177.9	-169.6	0	0	0	0	111.6	S190 M191 A192 L196 Y197 K198	S190-S194 WeakPolarHBondContact O-CB 3.21Å; S190-S194 PolarHBondContact O-N 3.26Å; M191-S194 WeakPolarHBondContact O-CB 3.33Å; M191-S194 PolarHBondContact O-N 2.94Å; M191-S194 VanDerWaalsContact O-N 3.14Å; A192-S194 PolarHBondContact O-N 3.32Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 2.89Å; S194-Y197 PolarHBondContact O-N 2.95Å; S194-K198 WeakPolarHBondContact O-CB 3.48Å; S194-K198 WeakPolarHBondContact O-CG 3.44Å; S194-K198 PolarHBondContact O-N 2.9Å
195	Y	94.2	Very high	92.4	Very high	74 Å²	74	57.1 Å²	57.1	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-36.3	173.8	-82.3	-75.6	0	0	0	112.4	L178 L181 F182 F187 M191 A192 Y197 S199	L178-Y195 HydrophobicContact CD1-CD1 4.37Å; L178-Y195 HydrophobicContact CD1-CE1 3.7Å; L181-Y195 HydrophobicContact CD2-CE2 4.08Å; L181-Y195 WeakPolarHBondContact CD2-OH 3.33Å; F182-Y195 HydrophobicContact CE1-CD1 4.16Å; F182-Y195 AromaticContact CE1-CD2 3.74Å; F182-Y195 HydrophobicContact CE1-CD2 3.74Å; F182-Y195 HydrophobicContact CE1-CE1 4.35Å; F182-Y195 AromaticContact CE1-CE2 3.95Å; F182-Y195 HydrophobicContact CE1-CE2 3.95Å; F182-Y195 AromaticContact CE1-CG 3.86Å; F182-Y195 HydrophobicContact CE1-CG 3.86Å; F182-Y195 HydrophobicContact CZ-CD1 4.15Å; F182-Y195 HydrophobicContact CZ-CD2 4.43Å; F182-Y195 HydrophobicContact CZ-CG 4.08Å; F187-Y195 AromaticContact CE2-CD2 3.97Å; F187-Y195 HydrophobicContact CE2-CD2 3.97Å; F187-Y195 HydrophobicContact CE2-CE2 4.3Å; M191-Y195 HydrophobicContact CE-CE2 4.22Å; M191-Y195 VanDerWaalsContact O-CD2 3.32Å; M191-Y195 WeakPolarHBondContact O-CD2 3.46Å; M191-Y195 PolarHBondContact O-N 3.44Å; A192-Y195 PolarHBondContact O-N 2.7Å; Y195-Y197 VanDerWaalsContact C-N 3.31Å; Y195-Y197 PolarHBondContact O-N 2.8Å; Y195-S199 WeakPolarHBondContact O-CB 3.32Å; Y195-S199 PolarHBondContact O-N 3.35Å
196	L	94.9	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-31.5	176.2	-169.3	60.5	0	0	0	113	A192 S194 Q205 I208 L227 M230 V238 A241 I242	A192-L196 WeakPolarHBondContact O-CB 3.5Å; A192-L196 PolarHBondContact O-N 3.4Å; S194-L196 VanDerWaalsContact C-N 3.33Å; S194-L196 PolarHBondContact O-N 2.89Å; L196-Q205 HydrophobicContact CD1-CB 4.09Å; L196-Q205 HydrophobicContact CD1-CG 4.41Å; L196-I208 HydrophobicContact CB-CG2 3.94Å; L196-I208 HydrophobicContact CD1-CB 4.32Å; L196-I208 HydrophobicContact CD1-CG2 4.26Å; L196-I208 HydrophobicContact CD2-CG2 4.24Å; L196-I208 HydrophobicContact CG-CG2 4.38Å; L196-L227 HydrophobicContact CD2-CD2 4.2Å; L196-M230 HydrophobicContact CB-CE 4.05Å; L196-M230 HydrophobicContact CD2-CE 4.12Å; L196-M230 HydrophobicContact CG-CE 3.72Å; L196-V238 HydrophobicContact CG-CG1 4.47Å; L196-A241 HydrophobicContact CD1-CB 4.45Å; L196-I242 HydrophobicContact CD2-CD1 3.92Å; L196-I242 HydrophobicContact CD2-CG1 3.68Å; L196-I242 HydrophobicContact CG-CG1 4.49Å
197	Y	94.7	Very high	93.1	Very high	40 Å²	40	45.7 Å²	45.7	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-83.8	-38.2	177.2	178.4	-111.9	0	0	0	113.3	I193 S194 Y195 M230 M234 E822 I823 Q826	I193-Y197 WeakPolarHBondContact O-CB 3.41Å; I193-Y197 PolarHBondContact O-N 2.92Å; S194-Y197 PolarHBondContact O-N 2.95Å; Y195-Y197 VanDerWaalsContact C-N 3.31Å; Y195-Y197 PolarHBondContact O-N 2.8Å; Y197-M230 HydrophobicContact CD2-CE 4.38Å; Y197-M230 HydrophobicContact CD2-CG 4.4Å; Y197-M234 HydrophobicContact CD2-CE 3.95Å; Y197-M234 HydrophobicContact CD2-SD 3.73Å; Y197-M234 HydrophobicContact CE2-CE 4.38Å; Y197-M234 HydrophobicContact CE2-SD 4.18Å; Y197-E822 HydrophobicContact CE1-CG 3.8Å; Y197-E822 PolarHBondContact OH-O 3.27Å; Y197-I823 HydrophobicContact CD1-CD1 4.43Å; Y197-I823 HydrophobicContact CD1-CG1 3.81Å; Y197-I823 HydrophobicContact CD2-CG1 3.87Å; Y197-I823 HydrophobicContact CD2-CG2 4.38Å; Y197-I823 HydrophobicContact CE1-CG1 4.17Å; Y197-I823 HydrophobicContact CE2-CG1 4.21Å; Y197-I823 HydrophobicContact CG-CD1 4.08Å; Y197-I823 HydrophobicContact CG-CG1 3.66Å; Y197-Q826 HydrophobicContact CE2-CB 4.22Å; Y197-Q826 HydrophobicContact CE2-CG 4.35Å
198	K	93.1	Very high	93.3	Very high	94 Å²	94	45 Å²	45	41%	0.409	24%	0.238	S	C	.	.	H	α-helix	trans	-98.1	-17.9	-171.2	-58.1	-172.4	-176.2	-168	0	114.2	S194 E822	S194-K198 WeakPolarHBondContact O-CB 3.48Å; S194-K198 WeakPolarHBondContact O-CG 3.44Å; S194-K198 PolarHBondContact O-N 2.9Å; K198-E822 VanDerWaalsContact CE-OE1 3.29Å; K198-E822 WeakPolarHBondContact CE-OE1 3.35Å; K198-E822 WeakPolarHBondContact CE-OE2 3.37Å; K198-E822 VanDerWaalsContact NZ-CD 3.27Å; K198-E822 IonicContact NZ-OE1 3Å; K198-E822 PolarHBondContact NZ-OE1 3.27Å; K198-E822 IonicContact NZ-OE2 3.89Å; K198-E822 PolarHBondContact NZ-OE2 3.29Å
199	S	92.5	Very high	93.4	Very high	24 Å²	24	43 Å²	43	17%	0.168	23%	0.228	C	C	.	.			trans	-80.2	137.3	178.3	-172.5	0	0	0	0	112.8	Y195 E201 Q205	Y195-S199 WeakPolarHBondContact O-CB 3.32Å; Y195-S199 PolarHBondContact O-N 3.35Å; S199-E201 PolarHBondContact OG-N 3.45Å; S199-E201 VanDerWaalsContact OG-N 3.13Å; S199-Q205 PolarHBondContact O-NE2 2.89Å
200	K	91	Very high	93.4	Very high	196 Å²	196	48.1 Å²	48.1	85%	0.852	26%	0.256	S	S	*	.			trans	-100.2	4.8	170.3	-60.5	-177.5	-179.1	178.8	0	113.2	P202	K200-P202 WeakPolarHBondContact O-CD 3.32Å
201	E	92.1	Very high	93.4	Very high	119 Å²	119	51.1 Å²	51.1	56%	0.556	27%	0.265	S	S	*	.			trans	-93.2	116.7	-179.9	-68.4	-175	179.8	0	0	110.5	S199 G203 V204 Q205	S199-E201 PolarHBondContact OG-N 3.45Å; S199-E201 VanDerWaalsContact OG-N 3.13Å; E201-G203 PolarHBondContact O-N 3.25Å; E201-V204 HydrophobicContact CB-CB 4.1Å; E201-V204 HydrophobicContact CB-CG2 3.9Å; E201-V204 PolarHBondContact O-N 3.11Å; E201-V204 WeakPolarHBondContact OE2-CG2 3.35Å; E201-Q205 PolarHBondContact O-N 2.96Å
202	P	89.6	Confident	93.5	Very high	65 Å²	65	48.6 Å²	48.6	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-34.1	-177.9	-23.5	32.7	0	0	0	112.7	K200 V204 Q205 A206	K200-P202 WeakPolarHBondContact O-CD 3.32Å; P202-V204 PolarHBondContact O-N 3.48Å; P202-Q205 PolarHBondContact O-N 3.41Å; P202-A206 VanDerWaalsContact O-CB 3.27Å; P202-A206 WeakPolarHBondContact O-CB 3.31Å; P202-A206 PolarHBondContact O-N 3.37Å
203	G	90.7	Very high	93.5	Very high	56 Å²	56	53 Å²	53	58%	0.577	27%	0.272	S	S	*	.	H	α-helix	trans	-64	-36.9	175.8	0	0	0	0	0	113.4	E201 Y207	E201-G203 PolarHBondContact O-N 3.25Å; G203-Y207 VanDerWaalsContact O-CB 3.31Å; G203-Y207 WeakPolarHBondContact O-CB 3.33Å; G203-Y207 PolarHBondContact O-N 2.87Å
204	V	92.8	Very high	93.5	Very high	12 Å²	12	56.1 Å²	56.1	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-47.6	174.2	172.5	0	0	0	0	110.1	L178 F182 E201 P202 A206 Y207 I208	L178-V204 HydrophobicContact CD2-CG2 3.91Å; F182-V204 HydrophobicContact CE2-CG1 4.07Å; F182-V204 HydrophobicContact CZ-CG1 3.9Å; E201-V204 HydrophobicContact CB-CB 4.1Å; E201-V204 HydrophobicContact CB-CG2 3.9Å; E201-V204 PolarHBondContact O-N 3.11Å; E201-V204 WeakPolarHBondContact OE2-CG2 3.35Å; P202-V204 PolarHBondContact O-N 3.48Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.19Å; V204-Y207 PolarHBondContact O-N 3.07Å; V204-I208 HydrophobicContact CG1-CG1 4.38Å; V204-I208 WeakPolarHBondContact O-CG1 3.35Å; V204-I208 PolarHBondContact O-N 3.2Å
205	Q	94	Very high	93.5	Very high	5 Å²	5	56 Å²	56	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-46	178.3	-64.5	174.6	4.3	0	0	111.6	L196 S199 E201 P202 I208 G209 V238 A241	L196-Q205 HydrophobicContact CD1-CB 4.09Å; L196-Q205 HydrophobicContact CD1-CG 4.41Å; S199-Q205 PolarHBondContact O-NE2 2.89Å; E201-Q205 PolarHBondContact O-N 2.96Å; P202-Q205 PolarHBondContact O-N 3.41Å; Q205-I208 PolarHBondContact O-N 3.44Å; Q205-G209 PolarHBondContact O-N 3.31Å; Q205-V238 VanDerWaalsContact CD-CG2 3.46Å; Q205-V238 HydrophobicContact CG-CG2 4.26Å; Q205-V238 VanDerWaalsContact OE1-N 3.14Å; Q205-A241 HydrophobicContact CB-CB 4.34Å
206	A	93.8	Very high	93.6	Very high	45 Å²	45	55.8 Å²	55.8	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-38.3	176.9	0	0	0	0	0	113.1	P202 V204 G209 N210	P202-A206 VanDerWaalsContact O-CB 3.27Å; P202-A206 WeakPolarHBondContact O-CB 3.31Å; P202-A206 PolarHBondContact O-N 3.37Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.19Å; A206-G209 PolarHBondContact O-N 3.06Å; A206-N210 PolarHBondContact O-N 2.85Å; A206-N210 VanDerWaalsContact O-N 3.15Å; A206-N210 PolarHBondContact O-ND2 3.09Å
207	Y	93.8	Very high	93.6	Very high	70 Å²	70	59.5 Å²	59.5	28%	0.275	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-47.7	171.9	-179.1	-77	0	0	0	110.6	L179 F182 G203 V204 N210 R211	L179-Y207 HydrophobicContact CD2-CD2 4.38Å; L179-Y207 HydrophobicContact CD2-CE2 4.08Å; F182-Y207 HydrophobicContact CB-CE1 3.67Å; F182-Y207 AromaticContact CD2-CD1 3.58Å; F182-Y207 HydrophobicContact CD2-CD1 3.58Å; F182-Y207 AromaticContact CD2-CE1 3.55Å; F182-Y207 HydrophobicContact CD2-CE1 3.55Å; F182-Y207 HydrophobicContact CD2-CG 4.34Å; F182-Y207 HydrophobicContact CE2-CD1 4.13Å; F182-Y207 HydrophobicContact CG-CD1 4.39Å; F182-Y207 AromaticContact CG-CE1 3.98Å; F182-Y207 HydrophobicContact CG-CE1 3.98Å; G203-Y207 VanDerWaalsContact O-CB 3.31Å; G203-Y207 WeakPolarHBondContact O-CB 3.33Å; G203-Y207 PolarHBondContact O-N 2.87Å; V204-Y207 PolarHBondContact O-N 3.07Å; Y207-N210 PolarHBondContact O-N 2.97Å; Y207-R211 HydrophobicContact CD1-CB 4.49Å; Y207-R211 HydrophobicContact CE1-CB 4.32Å; Y207-R211 HydrophobicContact CE1-CG 4.3Å; Y207-R211 WeakPolarHBondContact O-CB 3.33Å; Y207-R211 PolarHBondContact O-N 3.46Å
208	I	94.9	Very high	93.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-42.2	179.3	-63.2	-60	0	0	0	111.7	F182 F187 A192 L196 V204 Q205 N210 R211 L212	F182-I208 HydrophobicContact CD2-CD1 4.39Å; F182-I208 HydrophobicContact CE1-CD1 4.29Å; F182-I208 HydrophobicContact CE2-CD1 4.15Å; F182-I208 HydrophobicContact CZ-CD1 4.09Å; F187-I208 HydrophobicContact CE1-CD1 3.96Å; F187-I208 HydrophobicContact CZ-CD1 3.52Å; A192-I208 HydrophobicContact CB-CG2 4.11Å; L196-I208 HydrophobicContact CB-CG2 3.94Å; L196-I208 HydrophobicContact CD1-CB 4.32Å; L196-I208 HydrophobicContact CD1-CG2 4.26Å; L196-I208 HydrophobicContact CD2-CG2 4.24Å; L196-I208 HydrophobicContact CG-CG2 4.38Å; V204-I208 HydrophobicContact CG1-CG1 4.38Å; V204-I208 WeakPolarHBondContact O-CG1 3.35Å; V204-I208 PolarHBondContact O-N 3.2Å; Q205-I208 PolarHBondContact O-N 3.44Å; I208-N210 PolarHBondContact O-N 2.98Å; I208-R211 CarbonylContact O-C 3.56Å; I208-R211 WeakPolarHBondContact O-CA 3.2Å; I208-R211 WeakPolarHBondContact O-CB 3.38Å; I208-R211 PolarHBondContact O-N 3.13Å; I208-L212 WeakPolarHBondContact O-CG 3.45Å; I208-L212 PolarHBondContact O-N 3.02Å
209	G	93.6	Very high	93.4	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-56.2	-38.1	175.3	0	0	0	0	0	113.1	Q205 A206 F213 A241	Q205-G209 PolarHBondContact O-N 3.31Å; A206-G209 PolarHBondContact O-N 3.06Å; G209-F213 WeakPolarHBondContact O-CD2 3.39Å; G209-A241 WeakPolarHBondContact CA-O 3.4Å
210	N	94.4	Very high	93.6	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	33%	0.331	S	S	*	.	H	α-helix	trans	-73.5	-36.1	170.8	-69.6	-52	0	0	0	112.6	A206 Y207 I208 L212 F213	A206-N210 PolarHBondContact O-N 2.85Å; A206-N210 VanDerWaalsContact O-N 3.15Å; A206-N210 PolarHBondContact O-ND2 3.09Å; Y207-N210 PolarHBondContact O-N 2.97Å; I208-N210 PolarHBondContact O-N 2.98Å; N210-L212 VanDerWaalsContact C-N 3.27Å; N210-L212 PolarHBondContact O-N 2.57Å; N210-F213 WeakPolarHBondContact O-CD2 3.37Å; N210-F213 PolarHBondContact O-N 2.83Å
211	R	93.8	Very high	93.8	Very high	73 Å²	73	52.7 Å²	52.7	28%	0.275	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-27.5	177.6	-158.8	66.8	164.5	146.4	-7.7	112.8	F182 F187 Y207 I208 F213 S214 F215	F182-R211 PolarHBondContact O-NE 3Å; F182-R211 PolarHBondContact O-NH2 3.39Å; F187-R211 HydrophobicContact CE1-CG 4.2Å; Y207-R211 HydrophobicContact CD1-CB 4.49Å; Y207-R211 HydrophobicContact CE1-CB 4.32Å; Y207-R211 HydrophobicContact CE1-CG 4.3Å; Y207-R211 WeakPolarHBondContact O-CB 3.33Å; Y207-R211 PolarHBondContact O-N 3.46Å; I208-R211 CarbonylContact O-C 3.56Å; I208-R211 WeakPolarHBondContact O-CA 3.2Å; I208-R211 WeakPolarHBondContact O-CB 3.38Å; I208-R211 PolarHBondContact O-N 3.13Å; R211-F213 PolarHBondContact O-N 2.91Å; R211-F213 VanDerWaalsContact O-N 3.15Å; R211-S214 WeakPolarHBondContact CD-OG 3.33Å; R211-S214 PolarHBondContact NH1-OG 3.06Å; R211-S214 PolarHBondContact O-N 3.36Å; R211-S214 PolarHBondContact O-OG 3.48Å; R211-F215 HydrophobicContact CG-CE2 4.15Å; R211-F215 HydrophobicContact CG-CZ 4.4Å; R211-F215 WeakPolarHBondContact O-CD2 3.2Å
212	L	95.3	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-52.8	-33	174	-68	179.7	0	0	0	113	I193 I208 N210 S214 V220 L227 Y245	I193-L212 HydrophobicContact CD1-CD2 4.26Å; I208-L212 WeakPolarHBondContact O-CG 3.45Å; I208-L212 PolarHBondContact O-N 3.02Å; N210-L212 VanDerWaalsContact C-N 3.27Å; N210-L212 PolarHBondContact O-N 2.57Å; L212-S214 PolarHBondContact O-N 3.18Å; L212-V220 HydrophobicContact CD2-CG1 4.44Å; L212-L227 HydrophobicContact CD1-CD2 4.11Å; L212-Y245 HydrophobicContact CB-CD1 4.33Å; L212-Y245 HydrophobicContact CB-CD2 3.63Å; L212-Y245 HydrophobicContact CB-CE2 4.07Å; L212-Y245 HydrophobicContact CB-CG 3.78Å; L212-Y245 HydrophobicContact CD1-CD1 4.25Å; L212-Y245 HydrophobicContact CD1-CG 4.14Å; L212-Y245 VanDerWaalsContact O-CE2 3.22Å; L212-Y245 WeakPolarHBondContact O-CE2 3.5Å
213	F	95.8	Very high	94.3	Very high	91 Å²	91	47 Å²	47	40%	0.399	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-71.1	-10.6	177.4	-67.2	-102.2	0	0	0	114.3	G209 N210 R211 P244 Y245 H248	G209-F213 WeakPolarHBondContact O-CD2 3.39Å; N210-F213 WeakPolarHBondContact O-CD2 3.37Å; N210-F213 PolarHBondContact O-N 2.83Å; R211-F213 PolarHBondContact O-N 2.91Å; R211-F213 VanDerWaalsContact O-N 3.15Å; F213-P244 HydrophobicContact CE2-CB 4.31Å; F213-P244 HydrophobicContact CZ-CB 4.08Å; F213-Y245 HydrophobicContact CD1-CD2 4.2Å; F213-Y245 AromaticContact CD2-CD2 3.93Å; F213-Y245 HydrophobicContact CD2-CD2 3.93Å; F213-Y245 HydrophobicContact CE1-CD2 4.4Å; F213-Y245 HydrophobicContact CE2-CD2 4.13Å; F213-Y245 AromaticContact CG-CD2 3.98Å; F213-Y245 HydrophobicContact CG-CD2 3.98Å; F213-Y245 HydrophobicContact CZ-CD2 4.37Å; F213-H248 AromaticContact CD1-ND1 3.88Å; F213-H248 HydrophobicContact CE1-CB 3.65Å; F213-H248 AromaticContact CE1-CG 3.64Å; F213-H248 AromaticContact CE1-ND1 3.72Å; F213-H248 HydrophobicContact CZ-CB 4.2Å
214	S	94.1	Very high	94.6	Very high	67 Å²	67	44.5 Å²	44.5	47%	0.469	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-100.9	-3.8	-179.6	64.8	0	0	0	0	114.6	R211 L212	R211-S214 WeakPolarHBondContact CD-OG 3.33Å; R211-S214 PolarHBondContact NH1-OG 3.06Å; R211-S214 PolarHBondContact O-N 3.36Å; R211-S214 PolarHBondContact O-OG 3.48Å; L212-S214 PolarHBondContact O-N 3.18Å
215	F	95.1	Very high	94.8	Very high	30 Å²	30	44.4 Å²	44.4	13%	0.132	25%	0.245	C	C	.	.	S	Bend	trans	-93.8	156	175.8	-66.3	-65.7	0	0	0	112	F187 V189 A192 R211 D217 V220	F187-F215 AromaticContact CD1-CZ 3.9Å; F187-F215 HydrophobicContact CD1-CZ 3.9Å; F187-F215 HydrophobicContact CE1-CZ 4.01Å; F187-F215 WeakPolarHBondContact O-CE1 3.37Å; V189-F215 HydrophobicContact CG2-CB 3.74Å; V189-F215 HydrophobicContact CG2-CD1 3.64Å; V189-F215 HydrophobicContact CG2-CD2 3.94Å; V189-F215 HydrophobicContact CG2-CE1 4.16Å; V189-F215 HydrophobicContact CG2-CE2 4.43Å; V189-F215 HydrophobicContact CG2-CG 3.52Å; A192-F215 HydrophobicContact CB-CE2 3.66Å; A192-F215 HydrophobicContact CB-CZ 3.94Å; R211-F215 HydrophobicContact CG-CE2 4.15Å; R211-F215 HydrophobicContact CG-CZ 4.4Å; R211-F215 WeakPolarHBondContact O-CD2 3.2Å; F215-D217 PolarHBondContact O-N 3.27Å; F215-V220 HydrophobicContact CB-CG2 3.73Å
216	P	95.6	Very high	94.9	Very high	70 Å²	70	44.1 Å²	44.1	46%	0.455	24%	0.243	S	C	.	.			trans	-61.2	130.7	173.5	-23.2	35.8	0	0	0	111.9	G218 E219 V220	P216-G218 PolarHBondContact O-N 3.04Å; P216-G218 VanDerWaalsContact O-N 3.11Å; P216-E219 HydrophobicContact CB-CG 4.26Å; P216-E219 HydrophobicContact CG-CG 4.45Å; P216-E219 WeakPolarHBondContact CG-OE1 3.25Å; P216-E219 PolarHBondContact O-N 3.48Å; P216-V220 PolarHBondContact O-N 3Å
217	D	94.2	Very high	95.1	Very high	78 Å²	78	42 Å²	42	42%	0.417	23%	0.226	S	C	.	.	H	α-helix	trans	-44.8	-46.3	-179.6	-97.9	20.7	0	0	0	113.4	F215 E219 V220 D221 R249	F215-D217 PolarHBondContact O-N 3.27Å; D217-E219 PolarHBondContact O-N 3.13Å; D217-V220 PolarHBondContact O-N 3.48Å; D217-D221 WeakPolarHBondContact O-CB 3.43Å; D217-D221 PolarHBondContact O-N 3.32Å; D217-R249 WeakPolarHBondContact OD1-CD 3.33Å; D217-R249 IonicContact OD1-CZ 3.15Å; D217-R249 IonicContact OD1-NE 3.52Å; D217-R249 PolarHBondContact OD1-NE 3.33Å; D217-R249 IonicContact OD1-NH1 3.64Å; D217-R249 IonicContact OD1-NH2 2.71Å; D217-R249 IonicContact OD2-CZ 3.03Å; D217-R249 IonicContact OD2-NE 3.35Å; D217-R249 PolarHBondContact OD2-NE 2.85Å; D217-R249 IonicContact OD2-NH2 3.61Å; D217-R249 PolarHBondContact OD2-NH2 3.19Å
218	G	91.9	Very high	95.1	Very high	55 Å²	55	38.7 Å²	38.7	57%	0.567	21%	0.213	S	C	*	.	H	α-helix	trans	-68.2	-26.8	-178.4	0	0	0	0	0	115.2	P216 F222	P216-G218 PolarHBondContact O-N 3.04Å; P216-G218 VanDerWaalsContact O-N 3.11Å; G218-F222 PolarHBondContact O-N 3.08Å
219	E	93.5	Very high	95.1	Very high	97 Å²	97	38.8 Å²	38.8	45%	0.453	21%	0.213	S	C	.	.	H	α-helix	trans	-74.7	-36.5	174.2	-68	-179.7	-152.2	0	0	111	V189 P216 D217 Y223	V189-E219 HydrophobicContact CG2-CB 3.81Å; P216-E219 HydrophobicContact CB-CG 4.26Å; P216-E219 HydrophobicContact CG-CG 4.45Å; P216-E219 WeakPolarHBondContact CG-OE1 3.25Å; P216-E219 PolarHBondContact O-N 3.48Å; D217-E219 PolarHBondContact O-N 3.13Å; E219-Y223 WeakPolarHBondContact O-CD2 3.48Å
220	V	95.9	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-76.4	-32.8	177	-168	0	0	0	0	111.3	V189 L212 F215 P216 D217 F222 Y223 L224 L227 Y245	V189-V220 HydrophobicContact CG1-CG2 4.3Å; V189-V220 HydrophobicContact CG2-CG2 4.24Å; L212-V220 HydrophobicContact CD2-CG1 4.44Å; F215-V220 HydrophobicContact CB-CG2 3.73Å; P216-V220 PolarHBondContact O-N 3Å; D217-V220 PolarHBondContact O-N 3.48Å; V220-F222 VanDerWaalsContact C-N 3.26Å; V220-F222 PolarHBondContact O-N 3.21Å; V220-Y223 CarbonylContact O-C 3.56Å; V220-Y223 WeakPolarHBondContact O-CA 3.45Å; V220-Y223 PolarHBondContact O-N 3.24Å; V220-L224 PolarHBondContact O-N 3.42Å; V220-L227 HydrophobicContact CG1-CD1 3.63Å; V220-Y245 HydrophobicContact CB-CE1 4.22Å; V220-Y245 WeakPolarHBondContact CB-OH 3.34Å; V220-Y245 HydrophobicContact CG1-CD1 4.38Å; V220-Y245 HydrophobicContact CG1-CE1 3.47Å; V220-Y245 VanDerWaalsContact CG1-CE1 3.47Å
221	D	95.4	Very high	95	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	19%	0.185	S	C	.	.	H	α-helix	trans	-61.9	-31.9	175.1	-73.8	-14.2	0	0	0	112.7	D217 Y223 L224 R249 F256	D217-D221 WeakPolarHBondContact O-CB 3.43Å; D217-D221 PolarHBondContact O-N 3.32Å; D221-Y223 PolarHBondContact O-N 3.4Å; D221-L224 VanDerWaalsContact O-CB 3.27Å; D221-L224 WeakPolarHBondContact O-CB 3.45Å; D221-L224 PolarHBondContact O-N 2.7Å; D221-R249 VanDerWaalsContact CG-NH2 3.3Å; D221-R249 IonicContact OD1-CZ 2.87Å; D221-R249 VanDerWaalsContact OD1-CZ 3.26Å; D221-R249 IonicContact OD1-NH1 2.8Å; D221-R249 PolarHBondContact OD1-NH1 2.79Å; D221-R249 IonicContact OD1-NH2 3.62Å; D221-R249 PolarHBondContact OD1-NH2 3.43Å; D221-R249 IonicContact OD2-CZ 2.69Å; D221-R249 IonicContact OD2-NH1 3.23Å; D221-R249 IonicContact OD2-NH2 2.73Å; D221-R249 PolarHBondContact OD2-NH2 2.96Å; D221-F256 WeakPolarHBondContact OD1-CD2 3.49Å; D221-F256 WeakPolarHBondContact OD1-CE2 3.3Å
222	F	95.8	Very high	94.8	Very high	51 Å²	51	30.2 Å²	30.2	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-32.5	171.8	177.8	-108.7	0	0	0	112.8	G218 V220 Q647 K650 I820	G218-F222 PolarHBondContact O-N 3.08Å; V220-F222 VanDerWaalsContact C-N 3.26Å; V220-F222 PolarHBondContact O-N 3.21Å; F222-Q647 HydrophobicContact CE2-CB 4.21Å; F222-Q647 HydrophobicContact CE2-CG 4.17Å; F222-Q647 HydrophobicContact CZ-CB 4.13Å; F222-Q647 HydrophobicContact CZ-CG 4.46Å; F222-Q647 PolarHBondContact O-NE2 2.98Å; F222-K650 HydrophobicContact CE2-CB 3.72Å; F222-K650 HydrophobicContact CE2-CG 4.47Å; F222-K650 HydrophobicContact CZ-CB 4.2Å; F222-I820 HydrophobicContact CE1-CD1 4.06Å; F222-I820 HydrophobicContact CZ-CD1 4.1Å
223	Y	97.1	Very high	94.5	Very high	13 Å²	13	31 Å²	31	5%	0.051	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.1	177.4	-67.8	-76.1	0	0	0	113.8	V189 S190 I193 E219 V220 D221 P225 Q226 L227 Q651 I820	V189-Y223 HydrophobicContact CB-CD2 4.34Å; V189-Y223 HydrophobicContact CB-CE2 4.27Å; V189-Y223 HydrophobicContact CG1-CD2 3.55Å; V189-Y223 HydrophobicContact CG1-CE2 3.94Å; V189-Y223 HydrophobicContact CG1-CG 4.47Å; S190-Y223 WeakPolarHBondContact CB-OH 3.38Å; I193-Y223 HydrophobicContact CG1-CG 4.28Å; E219-Y223 WeakPolarHBondContact O-CD2 3.48Å; V220-Y223 CarbonylContact O-C 3.56Å; V220-Y223 WeakPolarHBondContact O-CA 3.45Å; V220-Y223 PolarHBondContact O-N 3.24Å; D221-Y223 PolarHBondContact O-N 3.4Å; Y223-P225 VanDerWaalsContact C-CD 3.48Å; Y223-Q226 PolarHBondContact O-N 2.95Å; Y223-Q226 VanDerWaalsContact O-N 3.14Å; Y223-L227 PolarHBondContact O-N 2.9Å; Y223-Q651 PolarHBondContact OH-OE1 3.37Å; Y223-I820 HydrophobicContact CE1-CG1 4.18Å
224	L	96.9	Very high	94.2	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-55.6	-40.7	178.1	-176.9	60.5	0	0	0	113.7	V220 D221 Q226 L227 L228 L246 F256 L259 L263	V220-L224 PolarHBondContact O-N 3.42Å; D221-L224 VanDerWaalsContact O-CB 3.27Å; D221-L224 WeakPolarHBondContact O-CB 3.45Å; D221-L224 PolarHBondContact O-N 2.7Å; L224-Q226 PolarHBondContact O-N 3.02Å; L224-L227 PolarHBondContact O-N 3.23Å; L224-L228 HydrophobicContact CD1-CD1 3.73Å; L224-L228 HydrophobicContact CD1-CD2 4.45Å; L224-L228 HydrophobicContact CD1-CG 3.87Å; L224-L228 HydrophobicContact CG-CD1 3.85Å; L224-L228 HydrophobicContact CG-CG 4.37Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 VanDerWaalsContact O-CG 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.37Å; L224-L246 HydrophobicContact CD1-CD2 4.06Å; L224-F256 HydrophobicContact CD1-CE1 4.3Å; L224-F256 HydrophobicContact CD1-CE2 3.67Å; L224-F256 HydrophobicContact CD1-CZ 3.46Å; L224-F256 VanDerWaalsContact CD1-CZ 3.46Å; L224-F256 HydrophobicContact CD2-CD2 4.22Å; L224-F256 HydrophobicContact CD2-CE2 3.97Å; L224-F256 HydrophobicContact CD2-CZ 4.39Å; L224-F256 HydrophobicContact CG-CE2 4.36Å; L224-L259 HydrophobicContact CD2-CB 4.02Å; L224-L263 HydrophobicContact CD2-CD1 4.19Å; L224-L263 HydrophobicContact CG-CD1 4.09Å
225	P	96.3	Very high	93.9	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-44.7	174.5	-25.3	36.9	0	0	0	112.6	Y223 L228 N229 L263 L643 M824	Y223-P225 VanDerWaalsContact C-CD 3.48Å; P225-L228 PolarHBondContact O-N 2.9Å; P225-N229 WeakPolarHBondContact O-CB 3.45Å; P225-N229 PolarHBondContact O-N 3.36Å; P225-L263 HydrophobicContact CG-CD1 4.33Å; P225-L643 HydrophobicContact CB-CD2 4.47Å; P225-L643 HydrophobicContact CG-CD2 4.07Å; P225-M824 HydrophobicContact CB-CE 4.47Å; P225-M824 HydrophobicContact CB-SD 4.1Å
226	Q	96.6	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-48.3	179.1	-74.6	71.2	19	0	0	111.3	Y223 L224 L228 N229 M230 I820 I823 M824	Y223-Q226 PolarHBondContact O-N 2.95Å; Y223-Q226 VanDerWaalsContact O-N 3.14Å; L224-Q226 PolarHBondContact O-N 3.02Å; Q226-L228 VanDerWaalsContact C-N 3.29Å; Q226-L228 PolarHBondContact O-N 2.71Å; Q226-N229 PolarHBondContact O-N 3.01Å; Q226-M230 WeakPolarHBondContact O-CB 3.44Å; Q226-M230 VanDerWaalsContact O-CG 3.22Å; Q226-M230 WeakPolarHBondContact O-CG 3.32Å; Q226-M230 PolarHBondContact O-N 3.44Å; Q226-I820 PolarHBondContact NE2-O 3.5Å; Q226-I823 HydrophobicContact CB-CB 4.35Å; Q226-I823 HydrophobicContact CB-CG2 3.76Å; Q226-I823 HydrophobicContact CG-CB 3.96Å; Q226-I823 HydrophobicContact CG-CD1 4.5Å; Q226-I823 HydrophobicContact CG-CG2 3.89Å; Q226-M824 HydrophobicContact CG-CG 4.12Å; Q226-M824 HydrophobicContact CG-SD 4Å
227	L	96.8	Very high	93.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-41.2	176.5	-79.1	170.4	0	0	0	112.3	I193 L196 L212 V220 Y223 L224 Y231 I242	I193-L227 HydrophobicContact CD1-CD1 4.26Å; I193-L227 HydrophobicContact CD1-CD2 3.45Å; I193-L227 VanDerWaalsContact CD1-CD2 3.45Å; I193-L227 HydrophobicContact CD1-CG 3.75Å; L196-L227 HydrophobicContact CD2-CD2 4.2Å; L212-L227 HydrophobicContact CD1-CD2 4.11Å; V220-L227 HydrophobicContact CG1-CD1 3.63Å; Y223-L227 PolarHBondContact O-N 2.9Å; L224-L227 PolarHBondContact O-N 3.23Å; L227-Y231 VanDerWaalsContact O-CB 3.3Å; L227-Y231 WeakPolarHBondContact O-CB 3.45Å; L227-Y231 PolarHBondContact O-N 2.95Å; L227-I242 HydrophobicContact CD2-CD1 3.98Å; L227-I242 HydrophobicContact CD2-CG1 3.99Å; L227-I242 HydrophobicContact CD2-CG2 4.15Å
228	L	95.2	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.5	-35.2	178.1	-65.2	175.3	0	0	0	112.4	L224 P225 Q226 Y231 V232 L246 L263 L264	L224-L228 HydrophobicContact CD1-CD1 3.73Å; L224-L228 HydrophobicContact CD1-CD2 4.45Å; L224-L228 HydrophobicContact CD1-CG 3.87Å; L224-L228 HydrophobicContact CG-CD1 3.85Å; L224-L228 HydrophobicContact CG-CG 4.37Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 VanDerWaalsContact O-CG 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.33Å; L224-L228 PolarHBondContact O-N 3.37Å; P225-L228 PolarHBondContact O-N 2.9Å; Q226-L228 VanDerWaalsContact C-N 3.29Å; Q226-L228 PolarHBondContact O-N 2.71Å; L228-Y231 PolarHBondContact O-N 3.25Å; L228-V232 WeakPolarHBondContact O-CG2 3.05Å; L228-V232 PolarHBondContact O-N 3Å; L228-L246 HydrophobicContact CD2-CD1 3.59Å; L228-L246 HydrophobicContact CD2-CD2 3.98Å; L228-L246 HydrophobicContact CD2-CG 4.45Å; L228-L263 HydrophobicContact CD1-CB 3.56Å; L228-L263 HydrophobicContact CD1-CD1 3.93Å; L228-L263 HydrophobicContact CD1-CG 4.4Å; L228-L264 HydrophobicContact CD2-CD1 4.45Å; L228-L264 HydrophobicContact CD2-CD2 3.95Å; L228-L264 HydrophobicContact CD2-CG 4.01Å
229	N	93.2	Very high	93.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-44.6	173.9	-160.3	62.4	0	0	0	111	P225 Q226 V232 H233 I823 M824 Q826	P225-N229 WeakPolarHBondContact O-CB 3.45Å; P225-N229 PolarHBondContact O-N 3.36Å; Q226-N229 PolarHBondContact O-N 3.01Å; N229-V232 PolarHBondContact O-N 3.42Å; N229-H233 PolarHBondContact O-CD2 3.49Å; N229-H233 VanDerWaalsContact O-CD2 3.32Å; N229-H233 PolarHBondContact O-N 3.5Å; N229-H233 PolarHBondContact OD1-CD2 3.43Å; N229-H233 VanDerWaalsContact OD1-CD2 3.24Å; N229-I823 PolarHBondContact ND2-O 3.03Å; N229-M824 HydrophobicContact CB-CE 3.99Å; N229-M824 HydrophobicContact CB-SD 3.83Å; N229-Q826 PolarHBondContact ND2-O 2.97Å
230	M	93.6	Very high	93.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-48.3	171.6	-66	170.5	67.7	0	0	111.1	I193 L196 Y197 Q226 V232 H233 M234 V238 I242 I823	I193-M230 HydrophobicContact CG2-SD 4.42Å; L196-M230 HydrophobicContact CB-CE 4.05Å; L196-M230 HydrophobicContact CD2-CE 4.12Å; L196-M230 HydrophobicContact CG-CE 3.72Å; Y197-M230 HydrophobicContact CD2-CE 4.38Å; Y197-M230 HydrophobicContact CD2-CG 4.4Å; Q226-M230 WeakPolarHBondContact O-CB 3.44Å; Q226-M230 VanDerWaalsContact O-CG 3.22Å; Q226-M230 WeakPolarHBondContact O-CG 3.32Å; Q226-M230 PolarHBondContact O-N 3.44Å; M230-V232 VanDerWaalsContact C-N 3.27Å; M230-V232 PolarHBondContact O-N 2.98Å; M230-H233 PolarHBondContact O-N 3.03Å; M230-M234 HydrophobicContact CB-CG 4.39Å; M230-M234 HydrophobicContact CB-SD 3.78Å; M230-M234 HydrophobicContact CE-SD 3.89Å; M230-M234 HydrophobicContact CG-SD 3.66Å; M230-M234 WeakPolarHBondContact O-CB 3.43Å; M230-M234 PolarHBondContact O-N 2.76Å; M230-V238 HydrophobicContact CB-CG1 4.23Å; M230-V238 HydrophobicContact CE-CG1 3.8Å; M230-I242 HydrophobicContact CB-CD1 3.86Å; M230-I242 HydrophobicContact CE-CD1 4.3Å; M230-I823 HydrophobicContact CG-CG2 3.55Å; M230-I823 HydrophobicContact SD-CD1 4.28Å; M230-I823 HydrophobicContact SD-CG2 3.8Å
231	Y	93.2	Very high	93.1	Very high	7 Å²	7	25 Å²	25	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-29.2	177.9	-175.5	-96.9	0	0	0	114	L227 L228 G239 I242 K243 L246 L264 R280 L284	L227-Y231 VanDerWaalsContact O-CB 3.3Å; L227-Y231 WeakPolarHBondContact O-CB 3.45Å; L227-Y231 PolarHBondContact O-N 2.95Å; L228-Y231 PolarHBondContact O-N 3.25Å; Y231-G239 VanDerWaalsContact CD2-O 3.3Å; Y231-G239 WeakPolarHBondContact CD2-O 3.27Å; Y231-G239 VanDerWaalsContact CE2-O 3.28Å; Y231-G239 WeakPolarHBondContact CE2-O 3.25Å; Y231-I242 HydrophobicContact CD2-CG2 4.49Å; Y231-K243 HydrophobicContact CE2-CB 3.92Å; Y231-K243 HydrophobicContact CE2-CG 4.34Å; Y231-L246 HydrophobicContact CD2-CD1 4.41Å; Y231-L246 HydrophobicContact CG-CD1 4.23Å; Y231-L264 HydrophobicContact CD1-CD2 4Å; Y231-R280 HydrophobicContact CE1-CG 3.77Å; Y231-R280 HydrophobicContact CE2-CG 4.21Å; Y231-R280 PolarHBondContact O-NE 2.81Å; Y231-R280 PolarHBondContact O-NH2 2.87Å; Y231-R280 VanDerWaalsContact OH-CG 3.26Å; Y231-R280 WeakPolarHBondContact OH-CG 3.37Å; Y231-L284 HydrophobicContact CD1-CD2 3.88Å; Y231-L284 HydrophobicContact CE1-CB 3.76Å; Y231-L284 HydrophobicContact CE1-CD2 3.37Å; Y231-L284 HydrophobicContact CE1-CG 4.2Å; Y231-L284 HydrophobicContact CE2-CD2 4.37Å
232	V	90.1	Very high	93.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-82.5	-53.6	174.3	175.7	0	0	0	0	111	L228 N229 M230 L264 I273 R280	L228-V232 WeakPolarHBondContact O-CG2 3.05Å; L228-V232 PolarHBondContact O-N 3Å; N229-V232 PolarHBondContact O-N 3.42Å; M230-V232 VanDerWaalsContact C-N 3.27Å; M230-V232 PolarHBondContact O-N 2.98Å; V232-L264 HydrophobicContact CG2-CD2 3.89Å; V232-I273 HydrophobicContact CG1-CD1 3.95Å; V232-R280 PolarHBondContact O-NH2 3.46Å
233	H	87.7	Confident	93	Very high	16 Å²	16	23.8 Å²	23.8	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-97	-18.8	-161.3	-61.7	-89	0	0	0	115.9	N229 M230 Y267 I273 R277 Q826 G827	N229-H233 PolarHBondContact O-CD2 3.49Å; N229-H233 VanDerWaalsContact O-CD2 3.32Å; N229-H233 PolarHBondContact O-N 3.5Å; N229-H233 PolarHBondContact OD1-CD2 3.43Å; N229-H233 VanDerWaalsContact OD1-CD2 3.24Å; M230-H233 PolarHBondContact O-N 3.03Å; H233-Y267 PolarHBondContact NE2-O 3.41Å; H233-I273 WeakPolarHBondContact NE2-CD1 3.35Å; H233-I273 WeakPolarHBondContact NE2-CG1 3.22Å; H233-R277 PolarHBondContact O-NE 2.99Å; H233-Q826 HydrophobicContact CB-CG 4.4Å; H233-Q826 WeakPolarHBondContact CB-O 3.45Å; H233-G827 VanDerWaalsContact CE1-C 3.44Å; H233-G827 WeakPolarHBondContact CE1-CA 3.49Å; H233-G827 PolarHBondContact CE1-O 3.03Å; H233-G827 PolarHBondContact ND1-O 2.91Å; H233-G827 PolarHBondContact NE2-O 3.35Å
234	M	89.7	Confident	93	Very high	24 Å²	24	26.2 Å²	26.2	12%	0.118	14%	0.141	C	C	.	.	S	Bend	trans	-83.8	-176.3	179.5	-63.5	-175.7	76	0	0	113.2	Y197 M230 V238 R277 R280 Q826	Y197-M234 HydrophobicContact CD2-CE 3.95Å; Y197-M234 HydrophobicContact CD2-SD 3.73Å; Y197-M234 HydrophobicContact CE2-CE 4.38Å; Y197-M234 HydrophobicContact CE2-SD 4.18Å; M230-M234 HydrophobicContact CB-CG 4.39Å; M230-M234 HydrophobicContact CB-SD 3.78Å; M230-M234 HydrophobicContact CE-SD 3.89Å; M230-M234 HydrophobicContact CG-SD 3.66Å; M230-M234 WeakPolarHBondContact O-CB 3.43Å; M230-M234 PolarHBondContact O-N 2.76Å; M234-V238 HydrophobicContact CB-CB 4.35Å; M234-V238 HydrophobicContact CB-CG1 4.38Å; M234-V238 HydrophobicContact CE-CG1 4.47Å; M234-V238 HydrophobicContact CE-CG2 3.99Å; M234-V238 HydrophobicContact SD-CG1 3.96Å; M234-R277 PolarHBondContact O-NE 3.24Å; M234-R280 PolarHBondContact O-NH2 3.44Å; M234-Q826 HydrophobicContact CG-CG 4.15Å
235	D	87.3	Confident	92.9	Very high	55 Å²	55	26.1 Å²	26.1	29%	0.294	14%	0.14	S	C	.	.			trans	-60.8	-180	174.1	59.3	-86.8	0	0	0	113.8	E237 V238 R280	D235-E237 WeakPolarHBondContact OD2-CA 3.2Å; D235-E237 WeakPolarHBondContact OD2-CB 3.39Å; D235-E237 PolarHBondContact OD2-N 3.29Å; D235-V238 WeakPolarHBondContact OD1-CG2 3.32Å; D235-V238 PolarHBondContact OD2-N 3.49Å; D235-R280 PolarHBondContact O-NH1 3.17Å; D235-R280 PolarHBondContact O-NH2 3.4Å
236	T	87.8	Confident	92.9	Very high	95 Å²	95	25.7 Å²	25.7	58%	0.583	14%	0.137	S	C	*	.	H	α-helix	trans	-72.2	-33.5	179.5	36.3	0	0	0	0	114.1	G239 D240	T236-G239 PolarHBondContact O-N 3.37Å; T236-D240 PolarHBondContact O-N 3.01Å
237	E	90.4	Very high	92.8	Very high	97 Å²	97	26.7 Å²	26.7	45%	0.453	14%	0.144	S	C	.	.	H	α-helix	trans	-74.2	-48.2	-169.8	-56.3	179.5	143.9	0	0	110.4	D235 G239 D240 A241	D235-E237 WeakPolarHBondContact OD2-CA 3.2Å; D235-E237 WeakPolarHBondContact OD2-CB 3.39Å; D235-E237 PolarHBondContact OD2-N 3.29Å; E237-G239 VanDerWaalsContact C-N 3.25Å; E237-G239 PolarHBondContact O-N 3Å; E237-D240 PolarHBondContact O-N 3.46Å; E237-A241 WeakPolarHBondContact O-CB 3.42Å; E237-A241 PolarHBondContact O-N 2.95Å
238	V	92.5	Very high	92.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-41.1	170.3	175.8	0	0	0	0	110.7	L196 Q205 M230 M234 D235 A241 I242	L196-V238 HydrophobicContact CG-CG1 4.47Å; Q205-V238 VanDerWaalsContact CD-CG2 3.46Å; Q205-V238 HydrophobicContact CG-CG2 4.26Å; Q205-V238 VanDerWaalsContact OE1-N 3.14Å; M230-V238 HydrophobicContact CB-CG1 4.23Å; M230-V238 HydrophobicContact CE-CG1 3.8Å; M234-V238 HydrophobicContact CB-CB 4.35Å; M234-V238 HydrophobicContact CB-CG1 4.38Å; M234-V238 HydrophobicContact CE-CG1 4.47Å; M234-V238 HydrophobicContact CE-CG2 3.99Å; M234-V238 HydrophobicContact SD-CG1 3.96Å; D235-V238 WeakPolarHBondContact OD1-CG2 3.32Å; D235-V238 PolarHBondContact OD2-N 3.49Å; V238-A241 PolarHBondContact O-N 3.04Å; V238-I242 HydrophobicContact CG1-CD1 3.72Å; V238-I242 WeakPolarHBondContact O-CB 3.48Å; V238-I242 VanDerWaalsContact O-CG1 3.29Å; V238-I242 WeakPolarHBondContact O-CG1 3.19Å; V238-I242 PolarHBondContact O-N 3.3Å; V238-I242 VanDerWaalsContact O-N 3.07Å
239	G	91.2	Very high	92.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-48.9	179.1	0	0	0	0	0	113.2	Y231 T236 E237 I242 K243	Y231-G239 VanDerWaalsContact CD2-O 3.3Å; Y231-G239 WeakPolarHBondContact CD2-O 3.27Å; Y231-G239 VanDerWaalsContact CE2-O 3.28Å; Y231-G239 WeakPolarHBondContact CE2-O 3.25Å; T236-G239 PolarHBondContact O-N 3.37Å; E237-G239 VanDerWaalsContact C-N 3.25Å; E237-G239 PolarHBondContact O-N 3Å; G239-I242 PolarHBondContact O-N 3.23Å; G239-K243 VanDerWaalsContact O-CB 3.28Å; G239-K243 WeakPolarHBondContact O-CB 3.37Å; G239-K243 PolarHBondContact O-N 2.59Å; G239-K243 VanDerWaalsContact O-N 3.07Å
240	D	92.6	Very high	92.6	Very high	81 Å²	81	30.9 Å²	30.9	43%	0.433	16%	0.162	S	C	.	.	H	α-helix	trans	-78.9	-16.8	-179.8	-75.4	-48.4	0	0	0	113.1	T236 E237 K243 P244	T236-D240 PolarHBondContact O-N 3.01Å; E237-D240 PolarHBondContact O-N 3.46Å; D240-K243 WeakPolarHBondContact OD1-CD 3.09Å; D240-K243 IonicContact OD1-NZ 3.81Å; D240-K243 PolarHBondContact OD1-NZ 2.87Å; D240-P244 WeakPolarHBondContact O-CD 3.48Å
241	A	95	Very high	92.4	Very high	12 Å²	12	36.3 Å²	36.3	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-72.4	-38.7	165.8	0	0	0	0	0	113.1	L196 Q205 G209 E237 V238 P244	L196-A241 HydrophobicContact CD1-CB 4.45Å; Q205-A241 HydrophobicContact CB-CB 4.34Å; G209-A241 WeakPolarHBondContact CA-O 3.4Å; E237-A241 WeakPolarHBondContact O-CB 3.42Å; E237-A241 PolarHBondContact O-N 2.95Å; V238-A241 PolarHBondContact O-N 3.04Å; A241-P244 WeakPolarHBondContact O-CD 3.08Å
242	I	95.6	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-76.4	-37.8	179.6	-71.2	170.3	0	0	0	112.3	L196 L227 M230 Y231 V238 G239 P244 Y245 L246	L196-I242 HydrophobicContact CD2-CD1 3.92Å; L196-I242 HydrophobicContact CD2-CG1 3.68Å; L196-I242 HydrophobicContact CG-CG1 4.49Å; L227-I242 HydrophobicContact CD2-CD1 3.98Å; L227-I242 HydrophobicContact CD2-CG1 3.99Å; L227-I242 HydrophobicContact CD2-CG2 4.15Å; M230-I242 HydrophobicContact CB-CD1 3.86Å; M230-I242 HydrophobicContact CE-CD1 4.3Å; Y231-I242 HydrophobicContact CD2-CG2 4.49Å; V238-I242 HydrophobicContact CG1-CD1 3.72Å; V238-I242 WeakPolarHBondContact O-CB 3.48Å; V238-I242 VanDerWaalsContact O-CG1 3.29Å; V238-I242 WeakPolarHBondContact O-CG1 3.19Å; V238-I242 PolarHBondContact O-N 3.3Å; V238-I242 VanDerWaalsContact O-N 3.07Å; G239-I242 PolarHBondContact O-N 3.23Å; I242-P244 VanDerWaalsContact C-CD 3.47Å; I242-Y245 PolarHBondContact O-N 3.43Å; I242-Y245 VanDerWaalsContact O-N 3.17Å; I242-L246 HydrophobicContact CG2-CD1 3.57Å; I242-L246 HydrophobicContact CG2-CD2 4.35Å; I242-L246 HydrophobicContact CG2-CG 3.7Å; I242-L246 PolarHBondContact O-N 2.97Å
243	K	95	Very high	92.2	Very high	83 Å²	83	40.9 Å²	40.9	36%	0.361	22%	0.216	S	C	.	.	H	α-helix	trans	-53.6	-40.9	-171.5	179.8	-172.1	-177	-171.1	0	116.1	Y231 G239 D240 Y245 L246 V247	Y231-K243 HydrophobicContact CE2-CB 3.92Å; Y231-K243 HydrophobicContact CE2-CG 4.34Å; G239-K243 VanDerWaalsContact O-CB 3.28Å; G239-K243 WeakPolarHBondContact O-CB 3.37Å; G239-K243 PolarHBondContact O-N 2.59Å; G239-K243 VanDerWaalsContact O-N 3.07Å; D240-K243 WeakPolarHBondContact OD1-CD 3.09Å; D240-K243 IonicContact OD1-NZ 3.81Å; D240-K243 PolarHBondContact OD1-NZ 2.87Å; K243-Y245 VanDerWaalsContact C-N 3.32Å; K243-Y245 PolarHBondContact O-N 2.8Å; K243-L246 PolarHBondContact O-N 3.1Å; K243-V247 HydrophobicContact CG-CG2 4.45Å; K243-V247 WeakPolarHBondContact O-CB 3.44Å; K243-V247 WeakPolarHBondContact O-CG2 3.42Å; K243-V247 PolarHBondContact O-N 3.32Å
244	P	95.8	Very high	92.2	Very high	64 Å²	64	40.4 Å²	40.4	42%	0.416	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-42	178.2	-23.8	35	0	0	0	112	F213 D240 A241 I242 V247 H248	F213-P244 HydrophobicContact CE2-CB 4.31Å; F213-P244 HydrophobicContact CZ-CB 4.08Å; D240-P244 WeakPolarHBondContact O-CD 3.48Å; A241-P244 WeakPolarHBondContact O-CD 3.08Å; I242-P244 VanDerWaalsContact C-CD 3.47Å; P244-V247 PolarHBondContact O-N 3.31Å; P244-H248 WeakPolarHBondContact O-CB 3.41Å; P244-H248 PolarHBondContact O-N 2.81Å
245	Y	96.4	Very high	92.3	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-48	179	-177.1	-96.5	0	0	0	111.3	L212 F213 V220 I242 K243 V247 H248 R249	L212-Y245 HydrophobicContact CB-CD1 4.33Å; L212-Y245 HydrophobicContact CB-CD2 3.63Å; L212-Y245 HydrophobicContact CB-CE2 4.07Å; L212-Y245 HydrophobicContact CB-CG 3.78Å; L212-Y245 HydrophobicContact CD1-CD1 4.25Å; L212-Y245 HydrophobicContact CD1-CG 4.14Å; L212-Y245 VanDerWaalsContact O-CE2 3.22Å; L212-Y245 WeakPolarHBondContact O-CE2 3.5Å; F213-Y245 HydrophobicContact CD1-CD2 4.2Å; F213-Y245 AromaticContact CD2-CD2 3.93Å; F213-Y245 HydrophobicContact CD2-CD2 3.93Å; F213-Y245 HydrophobicContact CE1-CD2 4.4Å; F213-Y245 HydrophobicContact CE2-CD2 4.13Å; F213-Y245 AromaticContact CG-CD2 3.98Å; F213-Y245 HydrophobicContact CG-CD2 3.98Å; F213-Y245 HydrophobicContact CZ-CD2 4.37Å; V220-Y245 HydrophobicContact CB-CE1 4.22Å; V220-Y245 WeakPolarHBondContact CB-OH 3.34Å; V220-Y245 HydrophobicContact CG1-CD1 4.38Å; V220-Y245 HydrophobicContact CG1-CE1 3.47Å; V220-Y245 VanDerWaalsContact CG1-CE1 3.47Å; I242-Y245 PolarHBondContact O-N 3.43Å; I242-Y245 VanDerWaalsContact O-N 3.17Å; K243-Y245 VanDerWaalsContact C-N 3.32Å; K243-Y245 PolarHBondContact O-N 2.8Å; Y245-V247 VanDerWaalsContact C-N 3.34Å; Y245-V247 PolarHBondContact O-N 3.48Å; Y245-H248 WeakPolarHBondContact O-CB 3.31Å; Y245-H248 PolarHBondContact O-N 3.15Å; Y245-R249 HydrophobicContact CD1-CG 4.02Å; Y245-R249 HydrophobicContact CD2-CG 4.38Å; Y245-R249 HydrophobicContact CE1-CG 3.54Å; Y245-R249 HydrophobicContact CE2-CG 3.96Å; Y245-R249 HydrophobicContact CG-CG 4.41Å; Y245-R249 WeakPolarHBondContact O-CG 3.38Å; Y245-R249 PolarHBondContact O-N 2.78Å; Y245-R249 WeakPolarHBondContact OH-CD 3.34Å; Y245-R249 PolarHBondContact OH-NH1 3.49Å
246	L	95.7	Very high	92.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-45.9	176.4	-64.6	179.8	0	0	0	112.1	L224 L228 Y231 I242 K243 R249 C250 F256 L284	L224-L246 HydrophobicContact CD1-CD2 4.06Å; L228-L246 HydrophobicContact CD2-CD1 3.59Å; L228-L246 HydrophobicContact CD2-CD2 3.98Å; L228-L246 HydrophobicContact CD2-CG 4.45Å; Y231-L246 HydrophobicContact CD2-CD1 4.41Å; Y231-L246 HydrophobicContact CG-CD1 4.23Å; I242-L246 HydrophobicContact CG2-CD1 3.57Å; I242-L246 HydrophobicContact CG2-CD2 4.35Å; I242-L246 HydrophobicContact CG2-CG 3.7Å; I242-L246 PolarHBondContact O-N 2.97Å; K243-L246 PolarHBondContact O-N 3.1Å; L246-R249 PolarHBondContact O-N 2.76Å; L246-C250 WeakPolarHBondContact O-CB 3.46Å; L246-C250 PolarHBondContact O-N 2.96Å; L246-C250 PolarHBondContact O-SG 2.83Å; L246-F256 HydrophobicContact CD2-CE1 4.2Å; L246-F256 HydrophobicContact CD2-CZ 3.88Å; L246-L284 HydrophobicContact CD1-CD2 3.84Å
247	V	94.6	Very high	92.8	Very high	21 Å²	21	34.4 Å²	34.4	13%	0.127	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-35.7	-179.9	171.3	0	0	0	0	111.9	K243 P244 Y245 R251 L284 L293	K243-V247 HydrophobicContact CG-CG2 4.45Å; K243-V247 WeakPolarHBondContact O-CB 3.44Å; K243-V247 WeakPolarHBondContact O-CG2 3.42Å; K243-V247 PolarHBondContact O-N 3.32Å; P244-V247 PolarHBondContact O-N 3.31Å; Y245-V247 VanDerWaalsContact C-N 3.34Å; Y245-V247 PolarHBondContact O-N 3.48Å; V247-R251 WeakPolarHBondContact O-CG 3.27Å; V247-R251 PolarHBondContact O-N 2.85Å; V247-L284 HydrophobicContact CG2-CD1 3.92Å; V247-L293 HydrophobicContact CG1-CD2 3.91Å
248	H	94.3	Very high	92.8	Very high	85 Å²	85	30 Å²	30	39%	0.394	16%	0.16	S	C	.	.	H	α-helix	trans	-63	-53.7	172.7	174.3	-109.5	0	0	0	111.4	F213 P244 Y245 C250 R251 S252	F213-H248 AromaticContact CD1-ND1 3.88Å; F213-H248 HydrophobicContact CE1-CB 3.65Å; F213-H248 AromaticContact CE1-CG 3.64Å; F213-H248 AromaticContact CE1-ND1 3.72Å; F213-H248 HydrophobicContact CZ-CB 4.2Å; P244-H248 WeakPolarHBondContact O-CB 3.41Å; P244-H248 PolarHBondContact O-N 2.81Å; Y245-H248 WeakPolarHBondContact O-CB 3.31Å; Y245-H248 PolarHBondContact O-N 3.15Å; H248-C250 VanDerWaalsContact C-N 3.3Å; H248-C250 PolarHBondContact O-N 3.09Å; H248-R251 WeakPolarHBondContact O-CB 3.45Å; H248-R251 PolarHBondContact O-N 3.29Å; H248-S252 PolarHBondContact O-N 2.88Å; H248-S252 VanDerWaalsContact O-N 3.07Å; H248-S252 PolarHBondContact O-OG 3.25Å
249	R	93.8	Very high	92.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-33.8	-180	-63.6	-65	-55.1	-54.5	-3.7	112.9	D217 D221 Y245 L246 S252 S253 F256	D217-R249 WeakPolarHBondContact OD1-CD 3.33Å; D217-R249 IonicContact OD1-CZ 3.15Å; D217-R249 IonicContact OD1-NE 3.52Å; D217-R249 PolarHBondContact OD1-NE 3.33Å; D217-R249 IonicContact OD1-NH1 3.64Å; D217-R249 IonicContact OD1-NH2 2.71Å; D217-R249 IonicContact OD2-CZ 3.03Å; D217-R249 IonicContact OD2-NE 3.35Å; D217-R249 PolarHBondContact OD2-NE 2.85Å; D217-R249 IonicContact OD2-NH2 3.61Å; D217-R249 PolarHBondContact OD2-NH2 3.19Å; D221-R249 VanDerWaalsContact CG-NH2 3.3Å; D221-R249 IonicContact OD1-CZ 2.87Å; D221-R249 VanDerWaalsContact OD1-CZ 3.26Å; D221-R249 IonicContact OD1-NH1 2.8Å; D221-R249 PolarHBondContact OD1-NH1 2.79Å; D221-R249 IonicContact OD1-NH2 3.62Å; D221-R249 PolarHBondContact OD1-NH2 3.43Å; D221-R249 IonicContact OD2-CZ 2.69Å; D221-R249 IonicContact OD2-NH1 3.23Å; D221-R249 IonicContact OD2-NH2 2.73Å; D221-R249 PolarHBondContact OD2-NH2 2.96Å; Y245-R249 HydrophobicContact CD1-CG 4.02Å; Y245-R249 HydrophobicContact CD2-CG 4.38Å; Y245-R249 HydrophobicContact CE1-CG 3.54Å; Y245-R249 HydrophobicContact CE2-CG 3.96Å; Y245-R249 HydrophobicContact CG-CG 4.41Å; Y245-R249 WeakPolarHBondContact O-CG 3.38Å; Y245-R249 PolarHBondContact O-N 2.78Å; Y245-R249 WeakPolarHBondContact OH-CD 3.34Å; Y245-R249 PolarHBondContact OH-NH1 3.49Å; L246-R249 PolarHBondContact O-N 2.76Å; R249-S252 PolarHBondContact O-N 2.89Å; R249-S253 PolarHBondContact O-N 3.05Å; R249-F256 HydrophobicContact CB-CD1 3.47Å; R249-F256 VanDerWaalsContact CB-CD1 3.47Å; R249-F256 HydrophobicContact CB-CD2 4Å; R249-F256 HydrophobicContact CB-CE1 3.41Å; R249-F256 VanDerWaalsContact CB-CE1 3.41Å; R249-F256 HydrophobicContact CB-CE2 3.92Å; R249-F256 HydrophobicContact CB-CG 3.78Å; R249-F256 HydrophobicContact CB-CZ 3.63Å; R249-F256 HydrophobicContact CG-CE1 4.41Å; R249-F256 HydrophobicContact CG-CE2 4.31Å; R249-F256 HydrophobicContact CG-CZ 4.17Å; R249-F256 VanDerWaalsContact NH1-CE2 3.34Å
250	C	92.3	Very high	93.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-31.8	172.5	-66.9	0	0	0	0	113.5	L246 H248 S257 I288 L293 R386	L246-C250 WeakPolarHBondContact O-CB 3.46Å; L246-C250 PolarHBondContact O-N 2.96Å; L246-C250 PolarHBondContact O-SG 2.83Å; H248-C250 VanDerWaalsContact C-N 3.3Å; H248-C250 PolarHBondContact O-N 3.09Å; C250-S257 VanDerWaalsContact CA-OG 3.25Å; C250-S257 WeakPolarHBondContact CA-OG 3.43Å; C250-S257 WeakPolarHBondContact CB-OG 3.38Å; C250-S257 PolarHBondContact O-OG 2.96Å; C250-I288 HydrophobicContact CB-CG1 4.4Å; C250-L293 HydrophobicContact CB-CD1 3.78Å; C250-R386 PolarHBondContact O-NH1 3.07Å
251	R	89.7	Confident	93.1	Very high	114 Å²	114	28.5 Å²	28.5	43%	0.43	15%	0.152	S	C	.	.	H	α-helix	trans	-67.7	-49.9	172	-74	169.4	173.3	150.4	3.3	110.3	V247 H248 S253 L293 R386	V247-R251 WeakPolarHBondContact O-CG 3.27Å; V247-R251 PolarHBondContact O-N 2.85Å; H248-R251 WeakPolarHBondContact O-CB 3.45Å; H248-R251 PolarHBondContact O-N 3.29Å; R251-S253 PolarHBondContact O-N 3.32Å; R251-L293 HydrophobicContact CG-CB 4.13Å; R251-L293 HydrophobicContact CG-CD2 4.33Å; R251-L293 WeakPolarHBondContact CG-O 3.46Å; R251-R386 PolarHBondContact O-NH2 3.43Å; R251-R386 VanDerWaalsContact O-NH2 3.08Å
252	S	88.4	Confident	93	Very high	71 Å²	71	29.1 Å²	29.1	50%	0.497	15%	0.152	S	C	.	.	H	α-helix	trans	-75.1	-18.1	-175.2	-49.4	0	0	0	0	115.4	H248 R249	H248-S252 PolarHBondContact O-N 2.88Å; H248-S252 VanDerWaalsContact O-N 3.07Å; H248-S252 PolarHBondContact O-OG 3.25Å; R249-S252 PolarHBondContact O-N 2.89Å
253	S	90.1	Very high	93	Very high	33 Å²	33	29.7 Å²	29.7	23%	0.231	16%	0.155	C	C	.	.			trans	-143.9	120.5	-179.2	175.6	0	0	0	0	113	R249 R251 T255 F256 S257	R249-S253 PolarHBondContact O-N 3.05Å; R251-S253 PolarHBondContact O-N 3.32Å; S253-T255 PolarHBondContact OG-N 3.05Å; S253-F256 PolarHBondContact O-N 3.4Å; S253-F256 PolarHBondContact OG-N 2.69Å; S253-F256 VanDerWaalsContact OG-N 3.09Å; S253-S257 PolarHBondContact O-N 2.87Å; S253-S257 PolarHBondContact O-OG 2.93Å
254	I	88.7	Confident	92.8	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-70	-31.8	173.6	-164.3	175.3	0	0	0	112.6	S257 L258 R386 L387 W433 F474 E475	I254-S257 WeakPolarHBondContact O-CB 3.34Å; I254-S257 PolarHBondContact O-N 2.92Å; I254-L258 WeakPolarHBondContact O-CB 3.26Å; I254-L258 PolarHBondContact O-N 2.97Å; I254-R386 HydrophobicContact CD1-CG 3.7Å; I254-R386 HydrophobicContact CG1-CG 4.18Å; I254-L387 HydrophobicContact CD1-CD2 4.05Å; I254-L387 HydrophobicContact CG1-CD2 3.57Å; I254-W433 HydrophobicContact CD1-CH2 3.95Å; I254-W433 HydrophobicContact CD1-CZ3 4.38Å; I254-W433 HydrophobicContact CG1-CH2 3.83Å; I254-W433 HydrophobicContact CG1-CZ2 4.31Å; I254-W433 HydrophobicContact CG2-CH2 4.33Å; I254-W433 HydrophobicContact CG2-CZ2 4.18Å; I254-F474 HydrophobicContact CD1-CE1 4.15Å; I254-F474 HydrophobicContact CG2-CD1 3.94Å; I254-F474 HydrophobicContact CG2-CE1 4.42Å; I254-E475 HydrophobicContact CB-CG 4.36Å; I254-E475 HydrophobicContact CG2-CG 3.97Å
255	T	90.8	Very high	92.5	Very high	42 Å²	42	23.7 Å²	23.7	26%	0.258	13%	0.128	S	C	.	.	H	α-helix	trans	-67.7	-44.9	172.8	-59.5	0	0	0	0	110.5	S253 S257 L258 L259 W433 P435	S253-T255 PolarHBondContact OG-N 3.05Å; T255-S257 VanDerWaalsContact C-N 3.3Å; T255-S257 PolarHBondContact O-N 3.44Å; T255-L258 PolarHBondContact O-N 2.82Å; T255-L259 HydrophobicContact CG2-CD1 4.1Å; T255-L259 HydrophobicContact CG2-CG 4.38Å; T255-L259 WeakPolarHBondContact O-CG 3.4Å; T255-L259 PolarHBondContact O-N 2.96Å; T255-W433 PolarHBondContact OG1-NE1 2.91Å; T255-P435 HydrophobicContact CG2-CB 4.44Å
256	F	92.9	Very high	92.2	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.022	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-40.8	175	-172.6	-83.3	0	0	0	111.7	D221 L224 L246 R249 S253 S260	D221-F256 WeakPolarHBondContact OD1-CD2 3.49Å; D221-F256 WeakPolarHBondContact OD1-CE2 3.3Å; L224-F256 HydrophobicContact CD1-CE1 4.3Å; L224-F256 HydrophobicContact CD1-CE2 3.67Å; L224-F256 HydrophobicContact CD1-CZ 3.46Å; L224-F256 VanDerWaalsContact CD1-CZ 3.46Å; L224-F256 HydrophobicContact CD2-CD2 4.22Å; L224-F256 HydrophobicContact CD2-CE2 3.97Å; L224-F256 HydrophobicContact CD2-CZ 4.39Å; L224-F256 HydrophobicContact CG-CE2 4.36Å; L246-F256 HydrophobicContact CD2-CE1 4.2Å; L246-F256 HydrophobicContact CD2-CZ 3.88Å; R249-F256 HydrophobicContact CB-CD1 3.47Å; R249-F256 VanDerWaalsContact CB-CD1 3.47Å; R249-F256 HydrophobicContact CB-CD2 4Å; R249-F256 HydrophobicContact CB-CE1 3.41Å; R249-F256 VanDerWaalsContact CB-CE1 3.41Å; R249-F256 HydrophobicContact CB-CE2 3.92Å; R249-F256 HydrophobicContact CB-CG 3.78Å; R249-F256 HydrophobicContact CB-CZ 3.63Å; R249-F256 HydrophobicContact CG-CE1 4.41Å; R249-F256 HydrophobicContact CG-CE2 4.31Å; R249-F256 HydrophobicContact CG-CZ 4.17Å; R249-F256 VanDerWaalsContact NH1-CE2 3.34Å; S253-F256 PolarHBondContact O-N 3.4Å; S253-F256 PolarHBondContact OG-N 2.69Å; S253-F256 VanDerWaalsContact OG-N 3.09Å; F256-S260 VanDerWaalsContact CE1-OG 3.28Å; F256-S260 WeakPolarHBondContact CE1-OG 3.24Å; F256-S260 VanDerWaalsContact O-CB 3.22Å; F256-S260 WeakPolarHBondContact O-CB 3.4Å; F256-S260 PolarHBondContact O-N 3.44Å; F256-S260 PolarHBondContact O-OG 3.41Å
257	S	92.6	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-49.1	173.3	-61.2	0	0	0	0	112.2	C250 S253 I254 T255 S260 A261 I288	C250-S257 VanDerWaalsContact CA-OG 3.25Å; C250-S257 WeakPolarHBondContact CA-OG 3.43Å; C250-S257 WeakPolarHBondContact CB-OG 3.38Å; C250-S257 PolarHBondContact O-OG 2.96Å; S253-S257 PolarHBondContact O-N 2.87Å; S253-S257 PolarHBondContact O-OG 2.93Å; I254-S257 WeakPolarHBondContact O-CB 3.34Å; I254-S257 PolarHBondContact O-N 2.92Å; T255-S257 VanDerWaalsContact C-N 3.3Å; T255-S257 PolarHBondContact O-N 3.44Å; S257-S260 PolarHBondContact O-N 3.27Å; S257-A261 WeakPolarHBondContact O-CB 3.09Å; S257-A261 PolarHBondContact O-N 3.3Å; S257-I288 VanDerWaalsContact O-CG2 3.23Å; S257-I288 WeakPolarHBondContact O-CG2 3.3Å
258	L	92	Very high	91.2	Very high	6 Å²	6	23 Å²	23	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-48.7	-178.7	-176.7	69.2	0	0	0	111.7	I254 T255 S260 A261 W262 L387 Q390 W433 P435	I254-L258 WeakPolarHBondContact O-CB 3.26Å; I254-L258 PolarHBondContact O-N 2.97Å; T255-L258 PolarHBondContact O-N 2.82Å; L258-S260 VanDerWaalsContact C-N 3.35Å; L258-S260 PolarHBondContact O-N 3.22Å; L258-A261 PolarHBondContact O-N 3.01Å; L258-W262 HydrophobicContact CD1-CD2 4.23Å; L258-W262 HydrophobicContact CD1-CE3 4.49Å; L258-W262 HydrophobicContact CD1-CH2 4.01Å; L258-W262 HydrophobicContact CD1-CZ2 3.67Å; L258-W262 HydrophobicContact CD1-CZ3 4.38Å; L258-W262 HydrophobicContact CD2-CE3 4.37Å; L258-W262 HydrophobicContact CD2-CH2 3.47Å; L258-W262 VanDerWaalsContact CD2-CH2 3.47Å; L258-W262 HydrophobicContact CD2-CZ2 4.02Å; L258-W262 HydrophobicContact CD2-CZ3 3.65Å; L258-W262 HydrophobicContact CG-CD2 4.08Å; L258-W262 HydrophobicContact CG-CE3 3.86Å; L258-W262 HydrophobicContact CG-CH2 3.68Å; L258-W262 HydrophobicContact CG-CZ2 3.87Å; L258-W262 HydrophobicContact CG-CZ3 3.66Å; L258-W262 PolarHBondContact O-N 3.35Å; L258-L387 HydrophobicContact CB-CD2 4.38Å; L258-L387 HydrophobicContact CD1-CD2 4.38Å; L258-Q390 HydrophobicContact CD1-CG 4.03Å; L258-Q390 HydrophobicContact CD2-CG 3.67Å; L258-W433 HydrophobicContact CB-CZ2 4.19Å; L258-W433 HydrophobicContact CD2-CH2 3.96Å; L258-W433 HydrophobicContact CD2-CZ2 3.56Å; L258-P435 HydrophobicContact CD2-CG 3.79Å
259	L	94.2	Very high	90.1	Very high	45 Å²	45	21.5 Å²	21.5	24%	0.236	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-45.2	176.2	-66.3	176.2	0	0	0	111.2	L224 T255 A261 W262 L263 P435 L671	L224-L259 HydrophobicContact CD2-CB 4.02Å; T255-L259 HydrophobicContact CG2-CD1 4.1Å; T255-L259 HydrophobicContact CG2-CG 4.38Å; T255-L259 WeakPolarHBondContact O-CG 3.4Å; T255-L259 PolarHBondContact O-N 2.96Å; L259-A261 PolarHBondContact O-N 3.32Å; L259-W262 HydrophobicContact CD2-CE3 4.34Å; L259-W262 PolarHBondContact O-N 3.44Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 WeakPolarHBondContact O-CG 3.37Å; L259-L263 PolarHBondContact O-N 2.66Å; L259-P435 HydrophobicContact CD2-CB 4.3Å; L259-L671 HydrophobicContact CD2-CD1 3.36Å
260	S	94.8	Very high	88.8	Confident	1 Å²	1	22 Å²	22	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-42.7	177.5	-62.8	0	0	0	0	112.4	F256 S257 L258 W262 L264	F256-S260 VanDerWaalsContact CE1-OG 3.28Å; F256-S260 WeakPolarHBondContact CE1-OG 3.24Å; F256-S260 VanDerWaalsContact O-CB 3.22Å; F256-S260 WeakPolarHBondContact O-CB 3.4Å; F256-S260 PolarHBondContact O-N 3.44Å; F256-S260 PolarHBondContact O-OG 3.41Å; S257-S260 PolarHBondContact O-N 3.27Å; L258-S260 VanDerWaalsContact C-N 3.35Å; L258-S260 PolarHBondContact O-N 3.22Å; S260-W262 VanDerWaalsContact C-N 3.3Å; S260-W262 PolarHBondContact O-N 2.95Å; S260-L264 WeakPolarHBondContact O-CB 3.19Å; S260-L264 WeakPolarHBondContact O-CD1 3.4Å; S260-L264 WeakPolarHBondContact O-CG 3.46Å; S260-L264 PolarHBondContact O-N 3.47Å
261	A	92.9	Very high	86.8	Confident	2 Å²	2	30.2 Å²	30.2	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-27.5	178.5	0	0	0	0	0	113.3	S257 L258 L259 G265 R285 I288 L289	S257-A261 WeakPolarHBondContact O-CB 3.09Å; S257-A261 PolarHBondContact O-N 3.3Å; L258-A261 PolarHBondContact O-N 3.01Å; L259-A261 PolarHBondContact O-N 3.32Å; A261-G265 PolarHBondContact O-N 3Å; A261-R285 WeakPolarHBondContact O-CD 3.32Å; A261-R285 PolarHBondContact O-NE 2.93Å; A261-I288 HydrophobicContact CB-CG2 4.02Å; A261-L289 HydrophobicContact CB-CD2 4.02Å; A261-L289 HydrophobicContact CB-CG 4.21Å
262	W	93.3	Very high	85.2	Confident	26 Å²	26	32 Å²	32	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-77.7	-52.9	172.2	-75.9	-32	0	0	0	112.6	L258 L259 S260 L264 G265 A266 V394 P435 L671 M673	L258-W262 HydrophobicContact CD1-CD2 4.23Å; L258-W262 HydrophobicContact CD1-CE3 4.49Å; L258-W262 HydrophobicContact CD1-CH2 4.01Å; L258-W262 HydrophobicContact CD1-CZ2 3.67Å; L258-W262 HydrophobicContact CD1-CZ3 4.38Å; L258-W262 HydrophobicContact CD2-CE3 4.37Å; L258-W262 HydrophobicContact CD2-CH2 3.47Å; L258-W262 VanDerWaalsContact CD2-CH2 3.47Å; L258-W262 HydrophobicContact CD2-CZ2 4.02Å; L258-W262 HydrophobicContact CD2-CZ3 3.65Å; L258-W262 HydrophobicContact CG-CD2 4.08Å; L258-W262 HydrophobicContact CG-CE3 3.86Å; L258-W262 HydrophobicContact CG-CH2 3.68Å; L258-W262 HydrophobicContact CG-CZ2 3.87Å; L258-W262 HydrophobicContact CG-CZ3 3.66Å; L258-W262 PolarHBondContact O-N 3.35Å; L259-W262 HydrophobicContact CD2-CE3 4.34Å; L259-W262 PolarHBondContact O-N 3.44Å; S260-W262 VanDerWaalsContact C-N 3.3Å; S260-W262 PolarHBondContact O-N 2.95Å; W262-L264 PolarHBondContact O-N 3.31Å; W262-G265 CarbonylContact O-C 3.59Å; W262-G265 VanDerWaalsContact O-CA 3.32Å; W262-G265 WeakPolarHBondContact O-CA 3.34Å; W262-G265 PolarHBondContact O-N 3.43Å; W262-A266 PolarHBondContact O-N 2.85Å; W262-V394 HydrophobicContact CH2-CG2 4.24Å; W262-V394 HydrophobicContact CZ2-CB 4.43Å; W262-V394 HydrophobicContact CZ2-CG1 4.16Å; W262-V394 HydrophobicContact CZ2-CG2 3.98Å; W262-P435 HydrophobicContact CH2-CG 4.27Å; W262-P435 HydrophobicContact CZ3-CG 3.99Å; W262-L671 HydrophobicContact CE3-CD1 4.03Å; W262-L671 HydrophobicContact CE3-CG 4.48Å; W262-L671 HydrophobicContact CH2-CD2 4.4Å; W262-L671 HydrophobicContact CZ3-CD1 3.84Å; W262-L671 HydrophobicContact CZ3-CD2 3.89Å; W262-L671 HydrophobicContact CZ3-CG 4.08Å; W262-M673 HydrophobicContact CD2-CB 4.26Å; W262-M673 HydrophobicContact CD2-CG 3.71Å; W262-M673 HydrophobicContact CE3-CG 3.81Å; W262-M673 HydrophobicContact CG-CB 4.29Å; W262-M673 HydrophobicContact CG-CG 4.23Å; W262-M673 HydrophobicContact CH2-CG 4.03Å; W262-M673 HydrophobicContact CH2-SD 3.75Å; W262-M673 HydrophobicContact CZ2-CG 3.96Å; W262-M673 HydrophobicContact CZ2-SD 3.74Å; W262-M673 HydrophobicContact CZ3-CG 3.97Å; W262-M673 HydrophobicContact CZ3-SD 4.22Å
263	L	93.9	Very high	83.9	Confident	12 Å²	12	29.4 Å²	29.4	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-42.3	179.8	-68.5	172.6	0	0	0	111.7	L224 P225 L228 L259 G265 A266 Y267 L643 V672	L224-L263 HydrophobicContact CD2-CD1 4.19Å; L224-L263 HydrophobicContact CG-CD1 4.09Å; P225-L263 HydrophobicContact CG-CD1 4.33Å; L228-L263 HydrophobicContact CD1-CB 3.56Å; L228-L263 HydrophobicContact CD1-CD1 3.93Å; L228-L263 HydrophobicContact CD1-CG 4.4Å; L259-L263 WeakPolarHBondContact O-CB 3.47Å; L259-L263 WeakPolarHBondContact O-CG 3.37Å; L259-L263 PolarHBondContact O-N 2.66Å; L263-G265 PolarHBondContact O-N 2.97Å; L263-A266 PolarHBondContact O-N 3.25Å; L263-Y267 HydrophobicContact CB-CD2 4.22Å; L263-Y267 HydrophobicContact CB-CE2 4.02Å; L263-Y267 HydrophobicContact CD2-CE2 3.86Å; L263-Y267 HydrophobicContact CG-CE2 4.46Å; L263-Y267 WeakPolarHBondContact O-CD2 3.38Å; L263-Y267 PolarHBondContact O-N 3.09Å; L263-L643 HydrophobicContact CD2-CD2 3.89Å; L263-V672 HydrophobicContact CD2-CB 4.06Å; L263-V672 HydrophobicContact CD2-CG1 4.36Å
264	L	92.4	Very high	82.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-33	170.9	-74.8	169.7	0	0	0	112.4	L228 Y231 V232 S260 W262 S268 L284 R285 I288	L228-L264 HydrophobicContact CD2-CD1 4.45Å; L228-L264 HydrophobicContact CD2-CD2 3.95Å; L228-L264 HydrophobicContact CD2-CG 4.01Å; Y231-L264 HydrophobicContact CD1-CD2 4Å; V232-L264 HydrophobicContact CG2-CD2 3.89Å; S260-L264 WeakPolarHBondContact O-CB 3.19Å; S260-L264 WeakPolarHBondContact O-CD1 3.4Å; S260-L264 WeakPolarHBondContact O-CG 3.46Å; S260-L264 PolarHBondContact O-N 3.47Å; W262-L264 PolarHBondContact O-N 3.31Å; L264-S268 WeakPolarHBondContact O-CB 3.4Å; L264-S268 PolarHBondContact O-N 2.97Å; L264-S268 VanDerWaalsContact O-N 3.1Å; L264-S268 PolarHBondContact O-OG 3.31Å; L264-L284 HydrophobicContact CD1-CB 4.2Å; L264-L284 HydrophobicContact CD1-CD2 3.99Å; L264-L284 HydrophobicContact CD1-CG 3.89Å; L264-R285 HydrophobicContact CB-CB 4.04Å; L264-R285 HydrophobicContact CB-CG 4.36Å; L264-R285 HydrophobicContact CD1-CB 4.14Å; L264-I288 HydrophobicContact CD1-CD1 3.86Å
265	G	89.4	Confident	81.3	Confident	21 Å²	21	36 Å²	36	22%	0.216	20%	0.202	C	C	.	.	H	α-helix	trans	-70.4	-44.2	175.1	0	0	0	0	0	112.5	A261 W262 L263 S269	A261-G265 PolarHBondContact O-N 3Å; W262-G265 CarbonylContact O-C 3.59Å; W262-G265 VanDerWaalsContact O-CA 3.32Å; W262-G265 WeakPolarHBondContact O-CA 3.34Å; W262-G265 PolarHBondContact O-N 3.43Å; L263-G265 PolarHBondContact O-N 2.97Å; G265-S269 PolarHBondContact O-N 3.28Å
266	A	89.9	Confident	79.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-76.5	-26.1	-176.7	0	0	0	0	0	114	W262 L263 S269 R640 V672	W262-A266 PolarHBondContact O-N 2.85Å; L263-A266 PolarHBondContact O-N 3.25Å; A266-S269 PolarHBondContact O-OG 2.92Å; A266-R640 WeakPolarHBondContact O-CD 3.27Å; A266-R640 PolarHBondContact O-NH1 2.74Å; A266-V672 HydrophobicContact CB-CG1 3.49Å; A266-V672 VanDerWaalsContact CB-CG1 3.49Å
267	Y	86.9	Confident	78.6	Confident	5 Å²	5	46.6 Å²	46.6	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-91	-28.1	172.5	-60.1	-54.8	0	0	0	112.9	H233 L263 S269 I273 R640 M824	H233-Y267 PolarHBondContact NE2-O 3.41Å; L263-Y267 HydrophobicContact CB-CD2 4.22Å; L263-Y267 HydrophobicContact CB-CE2 4.02Å; L263-Y267 HydrophobicContact CD2-CE2 3.86Å; L263-Y267 HydrophobicContact CG-CE2 4.46Å; L263-Y267 WeakPolarHBondContact O-CD2 3.38Å; L263-Y267 PolarHBondContact O-N 3.09Å; Y267-S269 VanDerWaalsContact C-N 3.27Å; Y267-S269 PolarHBondContact O-N 3.16Å; Y267-I273 WeakPolarHBondContact O-CD1 3.37Å; Y267-R640 HydrophobicContact CE1-CG 4.13Å; Y267-M824 HydrophobicContact CD1-CE 4.42Å; Y267-M824 HydrophobicContact CE1-CE 3.57Å; Y267-M824 HydrophobicContact CE2-CE 4.26Å; Y267-M824 VanDerWaalsContact CZ-CE 3.49Å; Y267-M824 WeakPolarHBondContact OH-CE 3.28Å
268	S	82.8	Confident	77.5	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.042	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.6	176.2	-55.4	0	0	0	0	114.4	L264 D270 H278	L264-S268 WeakPolarHBondContact O-CB 3.4Å; L264-S268 PolarHBondContact O-N 2.97Å; L264-S268 VanDerWaalsContact O-N 3.1Å; L264-S268 PolarHBondContact O-OG 3.31Å; S268-D270 VanDerWaalsContact C-N 3.31Å; S268-D270 PolarHBondContact O-N 2.75Å; S268-H278 PolarHBondContact O-CE1 3.47Å; S268-H278 PolarHBondContact O-ND1 2.86Å
269	S	70.9	Confident	76.8	Confident	52 Å²	52	52 Å²	52	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.6	-178.4	58.5	0	0	0	0	114.9	G265 A266 Y267 S675	G265-S269 PolarHBondContact O-N 3.28Å; A266-S269 PolarHBondContact O-OG 2.92Å; Y267-S269 VanDerWaalsContact C-N 3.27Å; Y267-S269 PolarHBondContact O-N 3.16Å; S269-S675 WeakPolarHBondContact CB-OG 3.27Å; S269-S675 WeakPolarHBondContact OG-CB 3.44Å; S269-S675 PolarHBondContact OG-OG 3.48Å
270	D	64.9	Low	76.3	Confident	16 Å²	16	51.3 Å²	51.3	9%	0.086	27%	0.267	C	S	.	.			trans	-76.4	132.2	-173.4	-72.3	13.5	0	0	0	111.4	S268 H272 I273 R640 H829	S268-D270 VanDerWaalsContact C-N 3.31Å; S268-D270 PolarHBondContact O-N 2.75Å; D270-H272 VanDerWaalsContact C-N 3.3Å; D270-H272 PolarHBondContact O-N 2.97Å; D270-H272 VanDerWaalsContact O-N 3.11Å; D270-I273 HydrophobicContact CB-CD1 4.23Å; D270-I273 HydrophobicContact CB-CG1 4.49Å; D270-I273 WeakPolarHBondContact O-CG1 3.42Å; D270-I273 PolarHBondContact O-N 3.44Å; D270-R640 IonicContact OD1-CZ 3.1Å; D270-R640 IonicContact OD1-NH1 2.75Å; D270-R640 PolarHBondContact OD1-NH1 3.34Å; D270-R640 IonicContact OD1-NH2 3.96Å; D270-R640 IonicContact OD2-NH1 3.79Å; D270-H829 IonicContact OD2-CD2 4Å; D270-H829 PolarHBondContact OD2-N 2.93Å
271	M	51	Low	75.8	Confident	171 Å²	171	51.3 Å²	51.3	84%	0.842	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.6	-156.3	-161.9	67.2	71.5	0	0	115.5
272	H	56.5	Low	75.5	Confident	151 Å²	151	53.1 Å²	53.1	70%	0.699	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	9.1	-171.7	-65.1	-80.3	0	0	0	114.6	D270 S274 H829	D270-H272 VanDerWaalsContact C-N 3.3Å; D270-H272 PolarHBondContact O-N 2.97Å; D270-H272 VanDerWaalsContact O-N 3.11Å; H272-S274 PolarHBondContact O-N 3.19Å; H272-H829 AromaticContact CD2-CE1 3.52Å; H272-H829 AromaticContact CD2-NE2 3.92Å
273	I	61.5	Low	75.3	Confident	18 Å²	18	58.3 Å²	58.3	9%	0.092	30%	0.301	C	S	.	.			trans	-68.3	118.4	177.4	-56.5	166.4	0	0	0	109.5	V232 H233 Y267 D270 T275 R277 H278	V232-I273 HydrophobicContact CG1-CD1 3.95Å; H233-I273 WeakPolarHBondContact NE2-CD1 3.35Å; H233-I273 WeakPolarHBondContact NE2-CG1 3.22Å; Y267-I273 WeakPolarHBondContact O-CD1 3.37Å; D270-I273 HydrophobicContact CB-CD1 4.23Å; D270-I273 HydrophobicContact CB-CG1 4.49Å; D270-I273 WeakPolarHBondContact O-CG1 3.42Å; D270-I273 PolarHBondContact O-N 3.44Å; I273-T275 PolarHBondContact O-N 3.25Å; I273-R277 HydrophobicContact CG2-CB 3.61Å; I273-H278 HydrophobicContact CB-CB 4.15Å; I273-H278 HydrophobicContact CG2-CB 3.78Å; I273-H278 VanDerWaalsContact CG2-N 3.34Å
274	S	60.2	Low	75.1	Confident	60 Å²	60	58 Å²	58	42%	0.42	30%	0.3	S	S	.	.			trans	-44.9	136.4	173.9	169.7	0	0	0	0	111.8	H272 Q276 R277 H278	H272-S274 PolarHBondContact O-N 3.19Å; S274-Q276 PolarHBondContact O-N 3.09Å; S274-R277 WeakPolarHBondContact O-CA 3.2Å; S274-R277 PolarHBondContact O-N 2.78Å; S274-H278 PolarHBondContact O-N 3.17Å
275	T	63.6	Low	75	Confident	118 Å²	118	62.3 Å²	62.3	72%	0.724	32%	0.316	S	S	*	.	H	α-helix	trans	-51.7	-33.5	-173	56.7	0	0	0	0	113.2	I273 S279	I273-T275 PolarHBondContact O-N 3.25Å; T275-S279 WeakPolarHBondContact O-CB 3.43Å; T275-S279 PolarHBondContact O-N 3.46Å
276	Q	60.4	Low	74.9	Confident	161 Å²	161	68.2 Å²	68.2	75%	0.752	34%	0.336	S	S	*	.	H	α-helix	trans	-68.9	-44.6	174.8	-65.1	-176.2	-6.3	0	0	113.1	S274 S279 R280	S274-Q276 PolarHBondContact O-N 3.09Å; Q276-S279 WeakPolarHBondContact O-CB 3.34Å; Q276-S279 PolarHBondContact O-N 2.65Å; Q276-R280 PolarHBondContact O-N 3.38Å
277	R	67.1	Low	74.9	Confident	107 Å²	107	71.2 Å²	71.2	40%	0.404	35%	0.352	S	S	.	.	H	α-helix	trans	-69.1	-44.2	177.3	-73.5	-172.4	-173.4	127.5	6.8	111.7	H233 M234 I273 S274 S279 R280 G281	H233-R277 PolarHBondContact O-NE 2.99Å; M234-R277 PolarHBondContact O-NE 3.24Å; I273-R277 HydrophobicContact CG2-CB 3.61Å; S274-R277 WeakPolarHBondContact O-CA 3.2Å; S274-R277 PolarHBondContact O-N 2.78Å; R277-S279 VanDerWaalsContact C-N 3.26Å; R277-S279 PolarHBondContact O-N 2.71Å; R277-R280 WeakPolarHBondContact O-CB 3.48Å; R277-R280 PolarHBondContact O-N 3.28Å; R277-G281 PolarHBondContact O-N 2.91Å; R277-G281 VanDerWaalsContact O-N 3.07Å
278	H	69.3	Low	74.9	Confident	81 Å²	81	71.2 Å²	71.2	38%	0.375	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-38.7	174.2	-178.6	87.8	0	0	0	110.9	S268 I273 S274 T282	S268-H278 PolarHBondContact O-CE1 3.47Å; S268-H278 PolarHBondContact O-ND1 2.86Å; I273-H278 HydrophobicContact CB-CB 4.15Å; I273-H278 HydrophobicContact CG2-CB 3.78Å; I273-H278 VanDerWaalsContact CG2-N 3.34Å; S274-H278 PolarHBondContact O-N 3.17Å; H278-T282 WeakPolarHBondContact O-CB 3.32Å; H278-T282 PolarHBondContact O-N 2.92Å; H278-T282 PolarHBondContact O-OG1 2.9Å
279	S	76.4	Confident	75	Confident	40 Å²	40	72.7 Å²	72.7	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-40.2	171.1	-171.1	0	0	0	0	112.3	T275 Q276 R277 K283	T275-S279 WeakPolarHBondContact O-CB 3.43Å; T275-S279 PolarHBondContact O-N 3.46Å; Q276-S279 WeakPolarHBondContact O-CB 3.34Å; Q276-S279 PolarHBondContact O-N 2.65Å; R277-S279 VanDerWaalsContact C-N 3.26Å; R277-S279 PolarHBondContact O-N 2.71Å; S279-K283 VanDerWaalsContact O-CB 3.22Å; S279-K283 WeakPolarHBondContact O-CB 3.5Å; S279-K283 WeakPolarHBondContact O-CD 3.37Å; S279-K283 WeakPolarHBondContact O-CG 3.4Å; S279-K283 PolarHBondContact O-N 2.93Å; S279-K283 WeakPolarHBondContact OG-CE 3.48Å; S279-K283 PolarHBondContact OG-NZ 2.96Å
280	R	83.2	Confident	75.5	Confident	30 Å²	30	71.7 Å²	71.7	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-61.7	-54.2	177.2	-179.2	174.2	67.9	-163.2	-4.4	112.1	Y231 V232 M234 D235 Q276 R277 T282 K283 L284	Y231-R280 HydrophobicContact CE1-CG 3.77Å; Y231-R280 HydrophobicContact CE2-CG 4.21Å; Y231-R280 PolarHBondContact O-NE 2.81Å; Y231-R280 PolarHBondContact O-NH2 2.87Å; Y231-R280 VanDerWaalsContact OH-CG 3.26Å; Y231-R280 WeakPolarHBondContact OH-CG 3.37Å; V232-R280 PolarHBondContact O-NH2 3.46Å; M234-R280 PolarHBondContact O-NH2 3.44Å; D235-R280 PolarHBondContact O-NH1 3.17Å; D235-R280 PolarHBondContact O-NH2 3.4Å; Q276-R280 PolarHBondContact O-N 3.38Å; R277-R280 WeakPolarHBondContact O-CB 3.48Å; R277-R280 PolarHBondContact O-N 3.28Å; R280-T282 VanDerWaalsContact C-N 3.33Å; R280-T282 PolarHBondContact O-N 2.68Å; R280-K283 PolarHBondContact O-N 3.39Å; R280-L284 PolarHBondContact O-N 3.02Å
281	G	85.2	Confident	75.6	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-57.6	-45.9	177.3	0	0	0	0	0	112	R277 K283 L284 R285	R277-G281 PolarHBondContact O-N 2.91Å; R277-G281 VanDerWaalsContact O-N 3.07Å; G281-K283 PolarHBondContact O-N 3.21Å; G281-L284 PolarHBondContact O-N 3.09Å; G281-R285 WeakPolarHBondContact O-CB 3.48Å; G281-R285 PolarHBondContact O-N 3.03Å
282	T	86.2	Confident	76.4	Confident	41 Å²	41	71.2 Å²	71.2	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-37	177.5	-61	0	0	0	0	113.2	H278 R280 K286	H278-T282 WeakPolarHBondContact O-CB 3.32Å; H278-T282 PolarHBondContact O-N 2.92Å; H278-T282 PolarHBondContact O-OG1 2.9Å; R280-T282 VanDerWaalsContact C-N 3.33Å; R280-T282 PolarHBondContact O-N 2.68Å; T282-K286 HydrophobicContact CG2-CD 4.35Å; T282-K286 WeakPolarHBondContact O-CB 3.12Å; T282-K286 WeakPolarHBondContact O-CG 3.46Å; T282-K286 PolarHBondContact O-N 3.44Å
283	K	88.6	Confident	77	Confident	135 Å²	135	64.1 Å²	64.1	59%	0.587	32%	0.32	S	S	*	.	H	α-helix	trans	-64.6	-49.6	175.9	-82	162.2	175.2	152.6	0	111.3	S279 R280 G281 R285 K286 L287	S279-K283 VanDerWaalsContact O-CB 3.22Å; S279-K283 WeakPolarHBondContact O-CB 3.5Å; S279-K283 WeakPolarHBondContact O-CD 3.37Å; S279-K283 WeakPolarHBondContact O-CG 3.4Å; S279-K283 PolarHBondContact O-N 2.93Å; S279-K283 WeakPolarHBondContact OG-CE 3.48Å; S279-K283 PolarHBondContact OG-NZ 2.96Å; R280-K283 PolarHBondContact O-N 3.39Å; G281-K283 PolarHBondContact O-N 3.21Å; K283-R285 VanDerWaalsContact C-N 3.34Å; K283-R285 PolarHBondContact O-N 3.29Å; K283-K286 PolarHBondContact O-N 3.34Å; K283-L287 PolarHBondContact O-N 3.11Å
284	L	89.7	Confident	77.1	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-42.3	177.1	-179	59.1	0	0	0	110.9	Y231 L246 V247 L264 R280 G281 K286 L287 I288	Y231-L284 HydrophobicContact CD1-CD2 3.88Å; Y231-L284 HydrophobicContact CE1-CB 3.76Å; Y231-L284 HydrophobicContact CE1-CD2 3.37Å; Y231-L284 HydrophobicContact CE1-CG 4.2Å; Y231-L284 HydrophobicContact CE2-CD2 4.37Å; L246-L284 HydrophobicContact CD1-CD2 3.84Å; V247-L284 HydrophobicContact CG2-CD1 3.92Å; L264-L284 HydrophobicContact CD1-CB 4.2Å; L264-L284 HydrophobicContact CD1-CD2 3.99Å; L264-L284 HydrophobicContact CD1-CG 3.89Å; R280-L284 PolarHBondContact O-N 3.02Å; G281-L284 PolarHBondContact O-N 3.09Å; L284-K286 VanDerWaalsContact C-N 3.34Å; L284-K286 PolarHBondContact O-N 2.95Å; L284-L287 HydrophobicContact CD1-CD2 4.48Å; L284-L287 PolarHBondContact O-N 2.96Å; L284-L287 VanDerWaalsContact O-N 3.15Å; L284-I288 HydrophobicContact CD1-CD1 3.93Å; L284-I288 HydrophobicContact CD1-CG1 4.06Å; L284-I288 HydrophobicContact CD2-CD1 4.34Å; L284-I288 HydrophobicContact CG-CD1 3.73Å; L284-I288 HydrophobicContact CG-CG1 4.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.47Å; L284-I288 PolarHBondContact O-N 3.06Å
285	R	90.6	Very high	77.1	Confident	90 Å²	90	70.2 Å²	70.2	34%	0.34	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-41.1	175.4	-175.2	175.5	-179	-92.6	-1.1	112.8	A261 L264 G281 K283 I288 L289	A261-R285 WeakPolarHBondContact O-CD 3.32Å; A261-R285 PolarHBondContact O-NE 2.93Å; L264-R285 HydrophobicContact CB-CB 4.04Å; L264-R285 HydrophobicContact CB-CG 4.36Å; L264-R285 HydrophobicContact CD1-CB 4.14Å; G281-R285 WeakPolarHBondContact O-CB 3.48Å; G281-R285 PolarHBondContact O-N 3.03Å; K283-R285 VanDerWaalsContact C-N 3.34Å; K283-R285 PolarHBondContact O-N 3.29Å; R285-I288 PolarHBondContact O-N 3.04Å; R285-L289 HydrophobicContact CG-CD1 4.2Å; R285-L289 WeakPolarHBondContact O-CB 3.08Å; R285-L289 VanDerWaalsContact O-CG 3.28Å; R285-L289 WeakPolarHBondContact O-CG 3.26Å; R285-L289 PolarHBondContact O-N 3Å; R285-L289 VanDerWaalsContact O-N 3.1Å
286	K	88.5	Confident	76.2	Confident	145 Å²	145	76 Å²	76	63%	0.63	35%	0.353	S	S	*	.	H	α-helix	trans	-64.8	-40.6	174.5	-77.2	-180	177.3	-171.4	0	111.9	T282 K283 L284 L289 S290	T282-K286 HydrophobicContact CG2-CD 4.35Å; T282-K286 WeakPolarHBondContact O-CB 3.12Å; T282-K286 WeakPolarHBondContact O-CG 3.46Å; T282-K286 PolarHBondContact O-N 3.44Å; K283-K286 PolarHBondContact O-N 3.34Å; L284-K286 VanDerWaalsContact C-N 3.34Å; L284-K286 PolarHBondContact O-N 2.95Å; K286-L289 PolarHBondContact O-N 3.13Å; K286-S290 PolarHBondContact O-N 2.91Å; K286-S290 PolarHBondContact O-OG 3.45Å
287	L	88.8	Confident	75.4	Confident	64 Å²	64	73.4 Å²	73.4	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-33.8	176.8	-176.8	67.2	0	0	0	113.3	K283 L284 L289 S290 D292 L293	K283-L287 PolarHBondContact O-N 3.11Å; L284-L287 HydrophobicContact CD1-CD2 4.48Å; L284-L287 PolarHBondContact O-N 2.96Å; L284-L287 VanDerWaalsContact O-N 3.15Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-S290 WeakPolarHBondContact CA-OG 3.39Å; L287-S290 PolarHBondContact O-OG 3.1Å; L287-D292 HydrophobicContact CD1-CB 3.83Å; L287-L293 HydrophobicContact CD1-CD2 4.45Å; L287-L293 HydrophobicContact CD2-CD2 4.41Å; L287-L293 HydrophobicContact CG-CD1 4.32Å; L287-L293 HydrophobicContact CG-CD2 4.18Å; L287-L293 HydrophobicContact CG-CG 4.18Å; L287-L293 WeakPolarHBondContact O-CG 3.44Å
288	I	87.6	Confident	74	Confident	5 Å²	5	75.8 Å²	75.8	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-74.6	-29.9	175.5	-65.8	167.4	0	0	0	111.4	C250 S257 A261 L264 L284 R285 L293	C250-I288 HydrophobicContact CB-CG1 4.4Å; S257-I288 VanDerWaalsContact O-CG2 3.23Å; S257-I288 WeakPolarHBondContact O-CG2 3.3Å; A261-I288 HydrophobicContact CB-CG2 4.02Å; L264-I288 HydrophobicContact CD1-CD1 3.86Å; L284-I288 HydrophobicContact CD1-CD1 3.93Å; L284-I288 HydrophobicContact CD1-CG1 4.06Å; L284-I288 HydrophobicContact CD2-CD1 4.34Å; L284-I288 HydrophobicContact CG-CD1 3.73Å; L284-I288 HydrophobicContact CG-CG1 4.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.47Å; L284-I288 PolarHBondContact O-N 3.06Å; R285-I288 PolarHBondContact O-N 3.04Å; I288-L293 HydrophobicContact CB-CD1 4.47Å; I288-L293 HydrophobicContact CG1-CD1 3.91Å
289	L	84.8	Confident	72	Confident	36 Å²	36	80.2 Å²	80.2	19%	0.188	40%	0.395	C	S	.	.	H	α-helix	trans	-76.6	-32.1	174.3	-70.4	170.4	0	0	0	112.1	A261 R285 K286 L287 P384 L387	A261-L289 HydrophobicContact CB-CD2 4.02Å; A261-L289 HydrophobicContact CB-CG 4.21Å; R285-L289 HydrophobicContact CG-CD1 4.2Å; R285-L289 WeakPolarHBondContact O-CB 3.08Å; R285-L289 VanDerWaalsContact O-CG 3.28Å; R285-L289 WeakPolarHBondContact O-CG 3.26Å; R285-L289 PolarHBondContact O-N 3Å; R285-L289 VanDerWaalsContact O-N 3.1Å; K286-L289 PolarHBondContact O-N 3.13Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L289-P384 WeakPolarHBondContact O-CB 3.41Å; L289-P384 WeakPolarHBondContact O-CG 3.36Å; L289-L387 HydrophobicContact CD2-CD1 4.16Å
290	S	82.2	Confident	70.2	Confident	32 Å²	32	84.2 Å²	84.2	22%	0.224	42%	0.42	C	S	.	.	S	Bend	trans	-73.7	152.7	176.7	63.4	0	0	0	0	113.7	K286 L287 D292	K286-S290 PolarHBondContact O-N 2.91Å; K286-S290 PolarHBondContact O-OG 3.45Å; L287-S290 WeakPolarHBondContact CA-OG 3.39Å; L287-S290 PolarHBondContact O-OG 3.1Å; S290-D292 VanDerWaalsContact CB-OD2 3.22Å; S290-D292 WeakPolarHBondContact CB-OD2 3.39Å; S290-D292 PolarHBondContact O-N 3.19Å; S290-D292 VanDerWaalsContact O-N 3.09Å; S290-D292 PolarHBondContact OG-OD2 2.92Å
291	D	65.8	Low	67.7	Low	61 Å²	61	87.9 Å²	87.9	33%	0.326	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-70.9	0.7	179.2	-72.5	-44.3	0	0	0	113.1	L293 K294 P384 E385 R386	D291-L293 PolarHBondContact O-N 2.84Å; D291-L293 VanDerWaalsContact O-N 3.11Å; D291-K294 VanDerWaalsContact O-CB 3.25Å; D291-K294 WeakPolarHBondContact O-CB 3.46Å; D291-K294 PolarHBondContact O-N 3.27Å; D291-P384 HydrophobicContact CB-CB 4.26Å; D291-P384 VanDerWaalsContact CG-CB 3.46Å; D291-P384 WeakPolarHBondContact OD2-CA 3.47Å; D291-P384 WeakPolarHBondContact OD2-CB 3.48Å; D291-E385 PolarHBondContact OD2-N 2.86Å; D291-R386 VanDerWaalsContact OD1-CB 3.27Å; D291-R386 WeakPolarHBondContact OD1-CB 3.36Å; D291-R386 PolarHBondContact OD1-N 3.19Å
292	D	68.3	Low	65.1	Low	115 Å²	115	93.6 Å²	93.6	62%	0.615	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-60.3	-18.3	174.7	-58	-57.4	0	0	0	113.6	L287 S290	L287-D292 HydrophobicContact CD1-CB 3.83Å; S290-D292 VanDerWaalsContact CB-OD2 3.22Å; S290-D292 WeakPolarHBondContact CB-OD2 3.39Å; S290-D292 PolarHBondContact O-N 3.19Å; S290-D292 VanDerWaalsContact O-N 3.09Å; S290-D292 PolarHBondContact OG-OD2 2.92Å
293	L	68.6	Low	62.7	Low	2 Å²	2	98.2 Å²	98.2	1%	0.01	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-101.8	16.3	174.5	-58.9	-167.9	0	0	0	113.8	V247 C250 R251 L287 I288 D291 R386	V247-L293 HydrophobicContact CG1-CD2 3.91Å; C250-L293 HydrophobicContact CB-CD1 3.78Å; R251-L293 HydrophobicContact CG-CB 4.13Å; R251-L293 HydrophobicContact CG-CD2 4.33Å; R251-L293 WeakPolarHBondContact CG-O 3.46Å; L287-L293 HydrophobicContact CD1-CD2 4.45Å; L287-L293 HydrophobicContact CD2-CD2 4.41Å; L287-L293 HydrophobicContact CG-CD1 4.32Å; L287-L293 HydrophobicContact CG-CD2 4.18Å; L287-L293 HydrophobicContact CG-CG 4.18Å; L287-L293 WeakPolarHBondContact O-CG 3.44Å; I288-L293 HydrophobicContact CB-CD1 4.47Å; I288-L293 HydrophobicContact CG1-CD1 3.91Å; D291-L293 PolarHBondContact O-N 2.84Å; D291-L293 VanDerWaalsContact O-N 3.11Å; L293-R386 PolarHBondContact O-NH1 3.06Å
294	K	64.1	Low	60	Low	144 Å²	144	97.2 Å²	97.2	63%	0.626	53%	0.528	S	S	*	.	S	Bend	trans	-58	136	166.4	-168	172.2	-174.2	171.9	0	109.5	D291 R296	D291-K294 VanDerWaalsContact O-CB 3.25Å; D291-K294 WeakPolarHBondContact O-CB 3.46Å; D291-K294 PolarHBondContact O-N 3.27Å; K294-R296 PolarHBondContact O-N 2.92Å
295	P	59.3	Low	57.2	Low	63 Å²	63	100.8 Å²	100.8	41%	0.409	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-57.8	135.7	171.9	24.1	-33.5	0	0	0	109.4	S297	P295-S297 PolarHBondContact O-N 3.18Å
296	R	46.2	Very low	54.4	Low	239 Å²	239	101.9 Å²	101.9	90%	0.902	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-66.3	120.6	172.8	-74.9	-176.6	172.6	-176	-3.9	107.9	K294 D298	K294-R296 PolarHBondContact O-N 2.92Å; R296-D298 PolarHBondContact O-N 3Å
297	S	42	Very low	51.7	Low	107 Å²	107	102.2 Å²	102.2	75%	0.748	60%	0.601	S	S	*	*			trans	-69.5	115.3	162.2	49.8	0	0	0	0	108	P295 E299	P295-S297 PolarHBondContact O-N 3.18Å; S297-E299 PolarHBondContact O-N 3.01Å
298	D	38	Very low	48.9	Very low	156 Å²	156	104.3 Å²	104.3	83%	0.834	62%	0.621	S	S	*	*			trans	-63.1	116.4	165.7	-66.9	-48.8	0	0	0	108.1	R296	R296-D298 PolarHBondContact O-N 3Å
299	E	28.5	Very low	46.1	Very low	174 Å²	174	111.4 Å²	111.4	81%	0.813	66%	0.659	S	S	*	*			trans	-67.2	136.1	167.4	-72.3	-159.1	141.7	0	0	108.8	S297 S301	S297-E299 PolarHBondContact O-N 3.01Å; E299-S301 PolarHBondContact O-N 3.08Å
300	P	37.6	Very low	43.4	Very low	125 Å²	125	114.6 Å²	114.6	81%	0.812	68%	0.684	S	S	*	*			trans	-65.8	108.5	178.3	27	-33.4	0	0	0	109.3	S302	P300-S302 PolarHBondContact O-N 3.46Å
301	S	30.9	Very low	41.4	Very low	106 Å²	106	118.9 Å²	118.9	74%	0.741	71%	0.712	S	S	*	*			trans	-58.8	120.1	174.4	45	0	0	0	0	109.6	E299 V303	E299-S301 PolarHBondContact O-N 3.08Å; S301-V303 PolarHBondContact O-N 3.44Å
302	S	31.4	Very low	39.5	Very low	121 Å²	121	123.5 Å²	123.5	85%	0.846	74%	0.736	S	S	*	*			trans	-69.7	96.1	-173.5	41.4	0	0	0	0	111.2	P300 S304	P300-S302 PolarHBondContact O-N 3.46Å; S302-S304 PolarHBondContact O-N 2.92Å; S302-S304 VanDerWaalsContact O-N 3.12Å
303	V	35	Very low	38.4	Very low	137 Å²	137	123.4 Å²	123.4	83%	0.83	74%	0.741	S	S	*	*			trans	-61.2	114.6	177.3	-179.9	0	0	0	0	109.9	S301 G305	S301-V303 PolarHBondContact O-N 3.44Å; V303-G305 PolarHBondContact O-N 3.49Å
304	S	32.3	Very low	36.6	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	78%	0.776	S	S	*	*			trans	-72.6	105.9	-179.8	56.1	0	0	0	0	111.9	S302	S302-S304 PolarHBondContact O-N 2.92Å; S302-S304 VanDerWaalsContact O-N 3.12Å
305	G	30.5	Very low	35.5	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	78%	0.781	S	S	*	*			trans	-85.8	134.1	167.6	0	0	0	0	0	111.6	V303	V303-G305 PolarHBondContact O-N 3.49Å
306	S	31.2	Very low	34.9	Very low	113 Å²	113	129.2 Å²	129.2	79%	0.79	80%	0.796	S	S	*	*			trans	-111.3	134.7	-174.1	52	0	0	0	0	113.4
307	V	31.8	Very low	34.1	Very low	152 Å²	152	125 Å²	125	92%	0.921	79%	0.787	S	S	*	*			trans	-144.4	146.4	155.5	-169.8	0	0	0	0	108.6
308	S	30.6	Very low	33.6	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	78%	0.782	S	S	*	*			trans	-78.9	155.7	-172.8	-41.4	0	0	0	0	114.6
309	D	28.7	Very low	33.2	Very low	154 Å²	154	125.5 Å²	125.5	82%	0.824	77%	0.771	S	S	*	*				-168.5	-173	94.6	-138.9	-30.4	0	0	0	113.1
310	S	27.4	Very low	33.1	Very low	103 Å²	103	126 Å²	126	72%	0.72	77%	0.766	S	S	*	*			trans	-147.4	174.1	-174.3	-78.6	0	0	0	0	111.2
311	P	41.1	Very low	32.6	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	77%	0.766	S	S	*	*			cis	-142.2	-178	18.9	43.5	-23.3	0	0	0	119.4
312	L	26.8	Very low	32.6	Very low	159 Å²	159	132.7 Å²	132.7	83%	0.832	77%	0.765	S	S	*	*			trans	-42.3	172.6	164.7	-79.6	162.4	0	0	0	117.8
313	P	44.2	Very low	32.4	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	76%	0.759	S	S	*	*			cis	-137.9	-170.3	31.7	45.8	-26.1	0	0	0	115.7
314	S	30.1	Very low	32.4	Very low	107 Å²	107	132 Å²	132	75%	0.748	76%	0.756	S	S	*	*			cis	-157.2	175.3	24.5	-127.2	0	0	0	0	113.3
315	P	42.2	Very low	32.2	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	76%	0.756	S	S	*	*			trans	-99.5	-168.2	-160.7	44.7	-41.3	0	0	0	113.9
316	P	46.1	Very low	32.2	Very low	113 Å²	113	135.3 Å²	135.3	73%	0.734	75%	0.754	S	S	*	*			cis	-136.9	-158.3	16.4	40.2	-14.7	0	0	0	114.4
317	H	30.3	Very low	32.4	Very low	151 Å²	151	135.3 Å²	135.3	70%	0.699	75%	0.75	S	S	*	*			cis	-151.4	-110	12.9	-152	-6	0	0	0	117.4
318	H	30.5	Very low	32.2	Very low	142 Å²	142	135.1 Å²	135.1	66%	0.657	74%	0.743	S	S	*	*			trans	-154.6	174.5	-151.5	-81.5	8.8	0	0	0	110.5
319	H	29.8	Very low	32.2	Very low	130 Å²	130	134.6 Å²	134.6	60%	0.602	75%	0.746	S	S	*	*			cis	-167.2	177.9	-0	-117.8	34.5	0	0	0	107
320	R	27.3	Very low	32.2	Very low	186 Å²	186	133.9 Å²	133.9	70%	0.702	75%	0.751	S	S	*	*			cis	177.9	116.2	-34.1	171.6	-178	174.2	-166.6	-2.7	111.4
321	R	26.3	Very low	32.2	Very low	215 Å²	215	132.9 Å²	132.9	81%	0.811	76%	0.757	S	S	*	*			trans	69.2	135.4	162.3	-75.1	-172.2	165.5	-171.2	-3.3	122.2
322	H	31.2	Very low	31.6	Very low	156 Å²	156	132.8 Å²	132.8	72%	0.722	76%	0.759	S	S	*	*			trans	53.1	135.1	136.9	-73	-77	0	0	0	125.8
323	N	27.9	Very low	32.5	Very low	134 Å²	134	130.2 Å²	130.2	72%	0.717	75%	0.752	S	S	*	*			trans	81.5	116.6	134.9	-84.6	48.3	0	0	0	124
324	S	33.4	Very low	31.7	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	75%	0.753	S	S	*	*				60.1	128	129.8	66.2	0	0	0	0	123.1
325	S	29.1	Very low	31.6	Very low	115 Å²	115	131.6 Å²	131.6	80%	0.804	75%	0.753	S	S	*	*			trans	-156.4	143.9	147.4	58.8	0	0	0	0	112.5
326	N	29.6	Very low	30.9	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	76%	0.756	S	S	*	*			trans	-81.1	-172.7	161.8	-64.7	-8.8	0	0	0	109.2
327	V	35.6	Very low	29.9	Very low	114 Å²	114	132.2 Å²	132.2	69%	0.691	76%	0.757	S	S	*	*			cis	-155.9	-179	10.1	-141	0	0	0	0	110
328	D	29	Very low	29.7	Very low	148 Å²	148	133.3 Å²	133.3	79%	0.791	76%	0.763	S	S	*	*			trans	69.7	117	149.6	-59.8	-27.9	0	0	0	122.3
329	A	29.8	Very low	29.5	Very low	96 Å²	96	129.7 Å²	129.7	79%	0.793	76%	0.764	S	S	*	*				-176.6	126.9	99	0	0	0	0	0	114.6
330	C	28.5	Very low	29.5	Very low	139 Å²	139	131.5 Å²	131.5	94%	0.939	78%	0.778	S	S	*	*			trans	23.4	133.3	148.2	-53	0	0	0	0	123.3
331	G	27.4	Very low	29.5	Very low	82 Å²	82	128.9 Å²	128.9	85%	0.845	78%	0.782	S	S	*	*			trans	148.4	98.8	143.5	0	0	0	0	0	118.7
332	S	28.5	Very low	29.5	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	78%	0.784	S	S	*	*			trans	-106.7	171.9	160.3	-51.6	0	0	0	0	108.9
333	P	46.4	Very low	29.3	Very low	106 Å²	106	125.7 Å²	125.7	69%	0.688	78%	0.782	S	S	*	*			cis	-142.9	-178	12.4	44.1	-24.8	0	0	0	117.6
334	D	27.4	Very low	29.4	Very low	143 Å²	143	124.3 Å²	124.3	77%	0.765	78%	0.783	S	S	*	*			trans	68.8	138.6	140.8	-76.4	6.9	0	0	0	125.6
335	S	26.9	Very low	29.9	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	78%	0.781	S	S	*	*			trans	73.1	103.4	138.2	-65.1	0	0	0	0	122.4
336	A	27.1	Very low	29.8	Very low	95 Å²	95	123.6 Å²	123.6	79%	0.785	78%	0.775	S	S	*	*				62.9	116.5	112.2	0	0	0	0	0	122.2
337	D	25.5	Very low	29.9	Very low	142 Å²	142	127 Å²	127	76%	0.759	78%	0.777	S	S	*	*				85.4	172.5	128.3	-146.4	15.8	0	0	0	121.1
338	Q	26.8	Very low	29.7	Very low	174 Å²	174	131 Å²	131	81%	0.813	78%	0.78	S	S	*	*			trans	-59.2	156.2	-169.8	-65.2	150	80.5	0	0	115.2
339	G	25.9	Very low	29.7	Very low	67 Å²	67	128.8 Å²	128.8	69%	0.691	77%	0.772	S	S	*	*			cis	171	-175.8	0.1	0	0	0	0	0	114.3
340	D	29.8	Very low	29.9	Very low	168 Å²	168	132.4 Å²	132.4	90%	0.898	77%	0.772	S	S	*	*			trans	14.1	125.1	170.6	-76.1	-9.8	0	0	0	122.6
341	V	27.9	Very low	30	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	77%	0.768	S	S	*	*			trans	-141.1	122.5	153.1	-173	0	0	0	0	111.6
342	F	25.4	Very low	30	Very low	192 Å²	192	141.7 Å²	141.7	84%	0.842	77%	0.77	S	S	*	*			trans	97.4	133.8	149.9	-103.3	-133	0	0	0	125
343	V	28.5	Very low	29.9	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.685	76%	0.76	S	S	*	*			trans	73.4	93	157.8	-164.3	0	0	0	0	121.2
344	S	28	Very low	29.3	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	77%	0.766	S	S	*	*				33.6	158.1	110.2	-42.3	0	0	0	0	123
345	P	45.1	Very low	29.5	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	76%	0.763	S	S	*	*				-142.6	-177.2	-59.5	40.8	-23	0	0	0	114.9
346	S	27.6	Very low	29.7	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	77%	0.767	S	S	*	*			trans	96.4	109.2	161.1	-50.2	0	0	0	0	117
347	R	31	Very low	29.8	Very low	218 Å²	218	144.1 Å²	144.1	82%	0.823	76%	0.764	S	S	*	*				76.7	138.9	77.8	-74.6	177.6	172.3	-170	-0.7	113
348	R	30.8	Very low	30.1	Very low	199 Å²	199	143.2 Å²	143.2	75%	0.751	76%	0.764	S	S	*	*			cis	-163.4	138.4	13	-136	-178.6	174	167.3	-5.3	113.5
349	T	29	Very low	30.2	Very low	102 Å²	102	143.1 Å²	143.1	63%	0.626	77%	0.765	S	S	*	*			trans	45.5	133.7	140.1	53.6	0	0	0	0	124.9
350	H	34.8	Very low	30.3	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.796	77%	0.767	S	S	*	*			trans	66.3	167.4	160.7	-57	-61.6	0	0	0	116
351	Q	30.2	Very low	30.2	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.864	77%	0.765	S	S	*	*			cis	-145	-162.6	11.3	-160.8	137.8	-47.8	0	0	113.3
352	R	27.1	Very low	30.1	Very low	231 Å²	231	139.4 Å²	139.4	87%	0.872	77%	0.766	S	S	*	*			trans	-122.9	142.1	-164.1	-174	-159.6	-172.4	-167.4	5.7	111.1
353	S	27.4	Very low	30.1	Very low	91 Å²	91	140.4 Å²	140.4	64%	0.636	77%	0.77	S	S	*	*			trans	75.6	121.1	151.1	-179.1	0	0	0	0	122.5
354	K	33.1	Very low	30.9	Very low	187 Å²	187	140.9 Å²	140.9	81%	0.813	78%	0.776	S	S	*	*			trans	65	147.6	137	-67.8	-178.8	175.8	-172.7	0	124.2
355	S	32.4	Very low	30.8	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	78%	0.78	S	S	*	*			trans	82.9	130.1	141.2	38.1	0	0	0	0	123.5
356	D	29.7	Very low	30.1	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	79%	0.79	S	S	*	*			trans	73.3	98.6	138.6	-56.3	-17	0	0	0	124.6
357	A	29.9	Very low	30.2	Very low	88 Å²	88	138.7 Å²	138.7	73%	0.727	80%	0.795	S	S	*	*				79.3	153	109.1	0	0	0	0	0	123.5
358	T	31.5	Very low	30.1	Very low	122 Å²	122	135.5 Å²	135.5	75%	0.748	79%	0.793	S	S	*	*			trans	113.9	109.3	142.8	-48.6	0	0	0	0	118.7
359	M	29	Very low	30	Very low	172 Å²	172	136.5 Å²	136.5	85%	0.847	80%	0.797	S	S	*	*			trans	66	121.1	154.4	-61.6	-59.4	170.4	0	0	119.2
360	A	28	Very low	30.4	Very low	88 Å²	88	143.1 Å²	143.1	73%	0.727	81%	0.81	S	S	*	*				98.3	151.1	78	0	0	0	0	0	111.6
361	S	26.9	Very low	30	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	82%	0.816	S	S	*	*			cis	-165.4	152.7	-2.9	40.2	0	0	0	0	109.9
362	G	26.6	Very low	30.3	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	82%	0.815	S	S	*	*			trans	163.1	121.8	166.1	0	0	0	0	0	117.5
363	F	25	Very low	30.3	Very low	212 Å²	212	131.6 Å²	131.6	93%	0.93	81%	0.811	S	S	*	*			trans	-119.2	176.2	165.4	-98.2	-91.2	0	0	0	107.8
364	P	46	Very low	30.4	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	82%	0.82	S	S	*	*			cis	-129.6	-179.8	-8.9	37.8	-20.6	0	0	0	114.2
365	G	26.8	Very low	30.5	Very low	80 Å²	80	130.6 Å²	130.6	83%	0.825	81%	0.814	S	S	*	*			trans	172.5	147	165.7	0	0	0	0	0	113.3
366	A	30.2	Very low	30.6	Very low	112 Å²	112	135.7 Å²	135.7	93%	0.926	82%	0.823	S	S	*	*			trans	-127.2	147.2	-174.8	0	0	0	0	0	112.9
367	G	28.5	Very low	30.6	Very low	77 Å²	77	133.9 Å²	133.9	79%	0.794	82%	0.817	S	S	*	*			trans	166.1	75.2	175.1	0	0	0	0	0	118.8
368	L	28.6	Very low	30.7	Very low	151 Å²	151	138.1 Å²	138.1	79%	0.791	82%	0.822	S	S	*	*			trans	33.1	128.3	144.6	-121.1	72.7	0	0	0	123.4
369	R	29.3	Very low	30.6	Very low	219 Å²	219	136.6 Å²	136.6	83%	0.826	82%	0.822	S	S	*	*			trans	85.1	101.8	148.2	-52.8	-156.9	177.1	-123.4	-4.6	122.1
370	R	37	Very low	30.6	Very low	241 Å²	241	134.6 Å²	134.6	91%	0.909	82%	0.819	S	S	*	*			trans	25.9	110.4	132.8	-56.7	-174.7	-170.2	-169.5	3	119.3
371	T	26.5	Very low	30.9	Very low	151 Å²	151	139 Å²	139	93%	0.926	82%	0.824	S	S	*	*				-135.6	164.9	117.8	43.6	0	0	0	0	108.5
372	G	35.9	Very low	31.5	Very low	80 Å²	80	142 Å²	142	83%	0.825	82%	0.824	S	S	*	*			trans	-101.9	134.8	-163.7	0	0	0	0	0	115.5
373	S	28.3	Very low	32.2	Very low	115 Å²	115	143 Å²	143	80%	0.804	81%	0.808	S	S	*	*			trans	-160.3	85.9	161.5	44.2	0	0	0	0	109.9	P375	S373-P375 VanDerWaalsContact O-CD 3.29Å; S373-P375 WeakPolarHBondContact O-CD 3.24Å
374	N	28.8	Very low	33.5	Very low	153 Å²	153	134 Å²	134	82%	0.818	77%	0.771	S	S	*	*			trans	-82.2	114.7	178.7	-141.1	45.1	0	0	0	109.3
375	P	35.3	Very low	34.4	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	77%	0.768	S	S	*	*			trans	-67.9	157.6	170.7	30.5	-34.2	0	0	0	110	S373 V377	S373-P375 VanDerWaalsContact O-CD 3.29Å; S373-P375 WeakPolarHBondContact O-CD 3.24Å; P375-V377 PolarHBondContact O-N 3.42Å
376	K	34.6	Very low	36.7	Very low	208 Å²	208	133.7 Å²	133.7	90%	0.904	74%	0.736	S	S	*	*			trans	-68.1	91.9	-172.8	-171.4	176.5	-178.3	180	0	111.4	E378	K376-E378 PolarHBondContact O-N 2.65Å
377	V	30.4	Very low	39.3	Very low	114 Å²	114	128.7 Å²	128.7	69%	0.691	69%	0.694	S	S	*	*			trans	-59	123.9	163	176.5	0	0	0	0	107.5	P375 A379	P375-V377 PolarHBondContact O-N 3.42Å; V377-A379 PolarHBondContact O-N 3.3Å
378	E	32	Very low	42.1	Very low	177 Å²	177	130.5 Å²	130.5	83%	0.827	68%	0.676	S	S	*	*			trans	-63	118.8	166.3	-68	-171.6	128.2	0	0	107.7	K376 V380	K376-E378 PolarHBondContact O-N 2.65Å; E378-V380 PolarHBondContact O-N 3.35Å
379	A	27.8	Very low	45.1	Very low	90 Å²	90	125.5 Å²	125.5	74%	0.744	65%	0.653	S	S	*	*			trans	-64.4	100.8	177.8	0	0	0	0	0	108.6	V377 H381	V377-A379 PolarHBondContact O-N 3.3Å; A379-H381 PolarHBondContact O-N 2.89Å
380	V	30.5	Very low	48.1	Very low	129 Å²	129	115.1 Å²	115.1	78%	0.782	61%	0.614	S	S	*	*			trans	-50.2	114.8	155.2	177	0	0	0	0	105.1	E378 E382	E378-V380 PolarHBondContact O-N 3.35Å; V380-E382 PolarHBondContact O-N 3.24Å
381	H	33.8	Very low	50.6	Low	181 Å²	181	107.6 Å²	107.6	84%	0.838	59%	0.585	S	S	*	*			trans	-55.4	108.4	176.6	-109.3	-82.5	0	0	0	107.5	A379 E383	A379-H381 PolarHBondContact O-N 2.89Å; H381-E383 PolarHBondContact O-N 2.8Å; H381-E383 VanDerWaalsContact O-N 3.1Å
382	E	39.2	Very low	53.8	Low	184 Å²	184	104.2 Å²	104.2	86%	0.86	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-62.3	118.9	174.4	-76.9	-166.2	113.3	0	0	107.7	V380	V380-E382 PolarHBondContact O-N 3.24Å
383	E	41.3	Very low	56.6	Low	99 Å²	99	100.9 Å²	100.9	46%	0.463	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-69.8	120.5	-176	-95.3	-83.9	-177	0	0	108.7	H381 R391	H381-E383 PolarHBondContact O-N 2.8Å; H381-E383 VanDerWaalsContact O-N 3.1Å; E383-R391 IonicContact OE1-NH1 2.8Å; E383-R391 IonicContact OE2-CZ 3.56Å; E383-R391 IonicContact OE2-NH1 2.7Å; E383-R391 PolarHBondContact OE2-NH1 3.34Å; E383-R391 IonicContact OE2-NH2 2.87Å; E383-R391 PolarHBondContact OE2-NH2 2.91Å
384	P	53.3	Low	59.6	Low	24 Å²	24	95.7 Å²	95.7	16%	0.156	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-51.3	136.6	-163.7	19	-36.7	0	0	0	114.2	L289 D291 R388	L289-P384 WeakPolarHBondContact O-CB 3.41Å; L289-P384 WeakPolarHBondContact O-CG 3.36Å; D291-P384 HydrophobicContact CB-CB 4.26Å; D291-P384 VanDerWaalsContact CG-CB 3.46Å; D291-P384 WeakPolarHBondContact OD2-CA 3.47Å; D291-P384 WeakPolarHBondContact OD2-CB 3.48Å; P384-R388 WeakPolarHBondContact O-CB 3.47Å
385	E	63.6	Low	62.6	Low	158 Å²	158	95.1 Å²	95.1	74%	0.738	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-36.5	-167.4	-67	-161.5	134	0	0	112.8	D291 L387 R388 P389	D291-E385 PolarHBondContact OD2-N 2.86Å; E385-L387 VanDerWaalsContact C-N 3.31Å; E385-L387 PolarHBondContact O-N 2.86Å; E385-L387 VanDerWaalsContact O-N 3.15Å; E385-R388 PolarHBondContact O-N 2.92Å; E385-P389 WeakPolarHBondContact O-CD 3.33Å
386	R	76.3	Confident	65.4	Low	40 Å²	40	91.3 Å²	91.3	15%	0.151	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-42.3	-167.2	-172	-179.8	-171.9	-159	9.4	113.5	C250 R251 I254 D291 L293 E475	C250-R386 PolarHBondContact O-NH1 3.07Å; R251-R386 PolarHBondContact O-NH2 3.43Å; R251-R386 VanDerWaalsContact O-NH2 3.08Å; I254-R386 HydrophobicContact CD1-CG 3.7Å; I254-R386 HydrophobicContact CG1-CG 4.18Å; D291-R386 VanDerWaalsContact OD1-CB 3.27Å; D291-R386 WeakPolarHBondContact OD1-CB 3.36Å; D291-R386 PolarHBondContact OD1-N 3.19Å; L293-R386 PolarHBondContact O-NH1 3.06Å; R386-E475 IonicContact CZ-OE1 3.14Å; R386-E475 IonicContact NE-OE1 3.2Å; R386-E475 PolarHBondContact NE-OE1 3.15Å; R386-E475 VanDerWaalsContact NE-OE1 3.15Å; R386-E475 IonicContact NH2-OE1 2.75Å; R386-E475 PolarHBondContact NH2-OE1 3.06Å; R386-E475 IonicContact NH2-OE2 2.84Å
387	L	84.9	Confident	68.3	Low	7 Å²	7	81.4 Å²	81.4	4%	0.037	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-3.6	-175.5	-67.1	176.5	0	0	0	114.2	I254 L258 L289 E385 Q390 R391 W433	I254-L387 HydrophobicContact CD1-CD2 4.05Å; I254-L387 HydrophobicContact CG1-CD2 3.57Å; L258-L387 HydrophobicContact CB-CD2 4.38Å; L258-L387 HydrophobicContact CD1-CD2 4.38Å; L289-L387 HydrophobicContact CD2-CD1 4.16Å; E385-L387 VanDerWaalsContact C-N 3.31Å; E385-L387 PolarHBondContact O-N 2.86Å; E385-L387 VanDerWaalsContact O-N 3.15Å; L387-Q390 PolarHBondContact O-N 3.42Å; L387-R391 WeakPolarHBondContact O-CB 3.45Å; L387-R391 PolarHBondContact O-N 3.5Å; L387-R391 VanDerWaalsContact O-N 3.07Å; L387-W433 HydrophobicContact CD2-CH2 4.08Å
388	R	87	Confident	71.1	Confident	115 Å²	115	77.4 Å²	77.4	43%	0.434	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-47.8	-172.8	172	175.5	175.2	-171.3	-4.9	114.2	P384 E385 Q390 R391 E392	P384-R388 WeakPolarHBondContact O-CB 3.47Å; E385-R388 PolarHBondContact O-N 2.92Å; R388-Q390 PolarHBondContact O-N 3.14Å; R388-R391 PolarHBondContact O-N 2.91Å; R388-E392 HydrophobicContact CG-CG 4.46Å; R388-E392 WeakPolarHBondContact CG-OE1 3.45Å; R388-E392 IonicContact CZ-OE1 2.82Å; R388-E392 IonicContact NE-OE1 3.12Å; R388-E392 PolarHBondContact NE-OE1 3.24Å; R388-E392 IonicContact NH2-OE1 2.99Å; R388-E392 PolarHBondContact O-N 2.96Å
389	P	91.2	Very high	73.9	Confident	45 Å²	45	71.5 Å²	71.5	29%	0.292	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-42.3	-179.4	-24.4	35.4	0	0	0	112.8	E385 E392 F393 R431 V432	E385-P389 WeakPolarHBondContact O-CD 3.33Å; P389-E392 PolarHBondContact O-N 3.22Å; P389-F393 WeakPolarHBondContact O-CB 3.41Å; P389-F393 PolarHBondContact O-N 2.86Å; P389-R431 HydrophobicContact CB-CB 4.47Å; P389-R431 HydrophobicContact CG-CB 4.38Å; P389-V432 HydrophobicContact CB-CG1 4.13Å
390	Q	92.7	Very high	77	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-43.6	176.6	-176	65.1	5.3	0	0	112.1	L258 L387 R388 F393 V394 V432 W433	L258-Q390 HydrophobicContact CD1-CG 4.03Å; L258-Q390 HydrophobicContact CD2-CG 3.67Å; L387-Q390 PolarHBondContact O-N 3.42Å; R388-Q390 PolarHBondContact O-N 3.14Å; Q390-F393 PolarHBondContact O-N 3.1Å; Q390-V394 WeakPolarHBondContact O-CB 3.16Å; Q390-V394 WeakPolarHBondContact O-CG2 3.32Å; Q390-V394 PolarHBondContact O-N 3.16Å; Q390-V432 VanDerWaalsContact OE1-CA 3.24Å; Q390-W433 HydrophobicContact CB-CE3 4.29Å; Q390-W433 HydrophobicContact CB-CH2 4.27Å; Q390-W433 HydrophobicContact CB-CZ3 3.69Å; Q390-W433 HydrophobicContact CG-CE3 4.04Å; Q390-W433 HydrophobicContact CG-CH2 4.01Å; Q390-W433 HydrophobicContact CG-CZ3 3.69Å; Q390-W433 PolarHBondContact NE2-O 2.99Å; Q390-W433 PolarHBondContact OE1-O 3.38Å
391	R	89.9	Confident	79.9	Confident	82 Å²	82	61.6 Å²	61.6	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-38.8	175.4	-175.2	178.8	60.1	-177.4	-4.7	112.2	E383 L387 R388 K395	E383-R391 IonicContact OE1-NH1 2.8Å; E383-R391 IonicContact OE2-CZ 3.56Å; E383-R391 IonicContact OE2-NH1 2.7Å; E383-R391 PolarHBondContact OE2-NH1 3.34Å; E383-R391 IonicContact OE2-NH2 2.87Å; E383-R391 PolarHBondContact OE2-NH2 2.91Å; L387-R391 WeakPolarHBondContact O-CB 3.45Å; L387-R391 PolarHBondContact O-N 3.5Å; L387-R391 VanDerWaalsContact O-N 3.07Å; R388-R391 PolarHBondContact O-N 2.91Å; R391-K395 WeakPolarHBondContact O-CB 3.39Å; R391-K395 PolarHBondContact O-N 2.91Å
392	E	92.2	Very high	82.6	Confident	80 Å²	80	58.6 Å²	58.6	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-36.7	175.9	-73.2	-171.8	-147.2	0	0	112.8	R388 P389 S396	R388-E392 HydrophobicContact CG-CG 4.46Å; R388-E392 WeakPolarHBondContact CG-OE1 3.45Å; R388-E392 IonicContact CZ-OE1 2.82Å; R388-E392 IonicContact NE-OE1 3.12Å; R388-E392 PolarHBondContact NE-OE1 3.24Å; R388-E392 IonicContact NH2-OE1 2.99Å; R388-E392 PolarHBondContact O-N 2.96Å; P389-E392 PolarHBondContact O-N 3.22Å; E392-S396 WeakPolarHBondContact O-CB 3.35Å; E392-S396 PolarHBondContact O-N 3.29Å; E392-S396 PolarHBondContact O-OG 2.89Å
393	F	94.5	Very high	85.1	Confident	10 Å²	10	54.5 Å²	54.5	4%	0.044	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-52.9	174.2	174.2	-103.6	0	0	0	111.8	P389 Q390 K395 S396 L397 L424 L428 V432 L434	P389-F393 WeakPolarHBondContact O-CB 3.41Å; P389-F393 PolarHBondContact O-N 2.86Å; Q390-F393 PolarHBondContact O-N 3.1Å; F393-K395 PolarHBondContact O-N 3.08Å; F393-S396 WeakPolarHBondContact O-CA 3.25Å; F393-S396 VanDerWaalsContact O-CB 3.31Å; F393-S396 WeakPolarHBondContact O-CB 3.25Å; F393-S396 PolarHBondContact O-N 2.94Å; F393-L397 HydrophobicContact CD1-CD1 4.35Å; F393-L397 HydrophobicContact CE1-CD1 3.82Å; F393-L397 HydrophobicContact CZ-CD1 3.96Å; F393-L397 PolarHBondContact O-N 3.3Å; F393-L397 VanDerWaalsContact O-N 3.08Å; F393-L424 HydrophobicContact CD2-CD1 4.16Å; F393-L424 HydrophobicContact CD2-CD2 4.25Å; F393-L424 HydrophobicContact CD2-CG 4.45Å; F393-L424 HydrophobicContact CE2-CD2 3.88Å; F393-L424 HydrophobicContact CE2-CG 4.35Å; F393-L428 HydrophobicContact CD2-CD2 4.43Å; F393-L428 HydrophobicContact CE2-CD2 4.42Å; F393-V432 HydrophobicContact CB-CB 4.49Å; F393-V432 HydrophobicContact CB-CG1 3.79Å; F393-V432 HydrophobicContact CG-CB 4.39Å; F393-V432 HydrophobicContact CG-CG1 4.2Å; F393-L434 HydrophobicContact CE1-CD2 4.25Å
394	V	92.4	Very high	87.5	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-43	178.1	167.1	0	0	0	0	111.6	W262 Q390 S396 L397 F398 M673	W262-V394 HydrophobicContact CH2-CG2 4.24Å; W262-V394 HydrophobicContact CZ2-CB 4.43Å; W262-V394 HydrophobicContact CZ2-CG1 4.16Å; W262-V394 HydrophobicContact CZ2-CG2 3.98Å; Q390-V394 WeakPolarHBondContact O-CB 3.16Å; Q390-V394 WeakPolarHBondContact O-CG2 3.32Å; Q390-V394 PolarHBondContact O-N 3.16Å; V394-S396 VanDerWaalsContact C-N 3.26Å; V394-S396 PolarHBondContact O-N 3.38Å; V394-L397 PolarHBondContact O-N 2.96Å; V394-F398 HydrophobicContact CG1-CD2 3.96Å; V394-F398 HydrophobicContact CG1-CE2 3.38Å; V394-F398 HydrophobicContact CG1-CZ 3.81Å; V394-F398 WeakPolarHBondContact O-CD2 3.5Å; V394-F398 PolarHBondContact O-N 3.14Å; V394-F398 VanDerWaalsContact O-N 3.1Å; V394-M673 HydrophobicContact CG1-SD 3.5Å; V394-M673 VanDerWaalsContact CG1-SD 3.5Å; V394-M673 HydrophobicContact CG2-SD 4.34Å
395	K	91.9	Very high	89.1	Confident	140 Å²	140	50.9 Å²	50.9	61%	0.609	24%	0.24	S	C	*	.	H	α-helix	trans	-58.7	-38.3	172.2	-177.5	178.9	179.4	-178.2	0	111.9	R391 F393 C399	R391-K395 WeakPolarHBondContact O-CB 3.39Å; R391-K395 PolarHBondContact O-N 2.91Å; F393-K395 PolarHBondContact O-N 3.08Å; K395-C399 WeakPolarHBondContact O-CB 3.45Å; K395-C399 PolarHBondContact O-N 3.41Å; K395-C399 PolarHBondContact O-SG 2.9Å
396	S	94.6	Very high	90.3	Very high	25 Å²	25	48.9 Å²	48.9	18%	0.175	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-46.6	177.5	-59.5	0	0	0	0	111	E392 F393 V394 C399 I400	E392-S396 WeakPolarHBondContact O-CB 3.35Å; E392-S396 PolarHBondContact O-N 3.29Å; E392-S396 PolarHBondContact O-OG 2.89Å; F393-S396 WeakPolarHBondContact O-CA 3.25Å; F393-S396 VanDerWaalsContact O-CB 3.31Å; F393-S396 WeakPolarHBondContact O-CB 3.25Å; F393-S396 PolarHBondContact O-N 2.94Å; V394-S396 VanDerWaalsContact C-N 3.26Å; V394-S396 PolarHBondContact O-N 3.38Å; S396-C399 PolarHBondContact O-N 3.01Å; S396-I400 WeakPolarHBondContact O-CG1 3.4Å; S396-I400 PolarHBondContact O-N 2.81Å
397	L	93.8	Very high	90.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-49.1	176.5	-67	173.5	0	0	0	112.2	F393 V394 C399 I400 G401 L421 L424 Y462 I464 M679	F393-L397 HydrophobicContact CD1-CD1 4.35Å; F393-L397 HydrophobicContact CE1-CD1 3.82Å; F393-L397 HydrophobicContact CZ-CD1 3.96Å; F393-L397 PolarHBondContact O-N 3.3Å; F393-L397 VanDerWaalsContact O-N 3.08Å; V394-L397 PolarHBondContact O-N 2.96Å; L397-C399 VanDerWaalsContact C-N 3.33Å; L397-C399 PolarHBondContact O-N 3.03Å; L397-I400 WeakPolarHBondContact O-CB 3.47Å; L397-I400 PolarHBondContact O-N 2.79Å; L397-G401 PolarHBondContact O-N 3.42Å; L397-L421 HydrophobicContact CD2-CD2 3.86Å; L397-L424 HydrophobicContact CD2-CD2 3.67Å; L397-L424 HydrophobicContact CG-CD2 4.29Å; L397-Y462 PolarHBondContact O-OH 3.33Å; L397-I464 HydrophobicContact CD1-CD1 4.17Å; L397-I464 HydrophobicContact CD2-CD1 3.9Å; L397-M679 HydrophobicContact CD1-CE 3.51Å
398	F	89.2	Confident	90.9	Very high	31 Å²	31	53.2 Å²	53.2	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-38.6	176.2	-62.4	-38	0	0	0	113.5	V394 I400 G401 K402 V633 M673 S677	V394-F398 HydrophobicContact CG1-CD2 3.96Å; V394-F398 HydrophobicContact CG1-CE2 3.38Å; V394-F398 HydrophobicContact CG1-CZ 3.81Å; V394-F398 WeakPolarHBondContact O-CD2 3.5Å; V394-F398 PolarHBondContact O-N 3.14Å; V394-F398 VanDerWaalsContact O-N 3.1Å; F398-I400 VanDerWaalsContact C-N 3.25Å; F398-I400 PolarHBondContact O-N 2.92Å; F398-G401 PolarHBondContact O-N 3.09Å; F398-K402 WeakPolarHBondContact O-CG 3.45Å; F398-K402 PolarHBondContact O-N 3.3Å; F398-V633 HydrophobicContact CD1-CG1 4.13Å; F398-V633 HydrophobicContact CE1-CG1 4.15Å; F398-M673 HydrophobicContact CE1-CE 3.76Å; F398-M673 HydrophobicContact CE2-CB 4.27Å; F398-M673 HydrophobicContact CE2-SD 4.31Å; F398-M673 HydrophobicContact CZ-CB 3.82Å; F398-M673 HydrophobicContact CZ-CE 3.41Å; F398-M673 VanDerWaalsContact CZ-CE 3.41Å; F398-M673 HydrophobicContact CZ-CG 4.35Å; F398-M673 HydrophobicContact CZ-SD 3.67Å; F398-S677 WeakPolarHBondContact CE2-OG 3.46Å; F398-S677 WeakPolarHBondContact CZ-OG 3.27Å
399	C	92.1	Very high	90.9	Very high	52 Å²	52	50.1 Å²	50.1	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-28.3	175.5	-73.7	0	0	0	0	112.4	K395 S396 L397 R403	K395-C399 WeakPolarHBondContact O-CB 3.45Å; K395-C399 PolarHBondContact O-N 3.41Å; K395-C399 PolarHBondContact O-SG 2.9Å; S396-C399 PolarHBondContact O-N 3.01Å; L397-C399 VanDerWaalsContact C-N 3.33Å; L397-C399 PolarHBondContact O-N 3.03Å; C399-R403 WeakPolarHBondContact O-CG 3.34Å; C399-R403 PolarHBondContact O-N 3.38Å; C399-R403 PolarHBondContact O-NH1 2.86Å
400	I	93.6	Very high	90.7	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-53.5	170.3	-64.6	171.7	0	0	0	109.6	S396 L397 F398 K402 R403 L404 L417 E420 L421	S396-I400 WeakPolarHBondContact O-CG1 3.4Å; S396-I400 PolarHBondContact O-N 2.81Å; L397-I400 WeakPolarHBondContact O-CB 3.47Å; L397-I400 PolarHBondContact O-N 2.79Å; F398-I400 VanDerWaalsContact C-N 3.25Å; F398-I400 PolarHBondContact O-N 2.92Å; I400-K402 VanDerWaalsContact C-N 3.33Å; I400-K402 PolarHBondContact O-N 3.23Å; I400-R403 WeakPolarHBondContact O-CA 3.41Å; I400-R403 WeakPolarHBondContact O-CB 3.37Å; I400-R403 PolarHBondContact O-N 3.1Å; I400-L404 PolarHBondContact O-N 3.32Å; I400-L404 VanDerWaalsContact O-N 3.13Å; I400-L417 HydrophobicContact CG2-CD1 3.74Å; I400-E420 HydrophobicContact CB-CB 4.45Å; I400-E420 HydrophobicContact CD1-CB 3.83Å; I400-E420 HydrophobicContact CG1-CB 3.83Å; I400-E420 HydrophobicContact CG2-CB 3.81Å; I400-E420 HydrophobicContact CG2-CG 4.28Å; I400-L421 HydrophobicContact CD1-CD2 3.91Å; I400-L421 HydrophobicContact CD1-CG 4.49Å
401	G	91.3	Very high	90.4	Very high	6 Å²	6	52.4 Å²	52.4	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-54.5	-45.6	178.6	0	0	0	0	0	113.3	L397 F398 R403 L404	L397-G401 PolarHBondContact O-N 3.42Å; F398-G401 PolarHBondContact O-N 3.09Å; G401-R403 PolarHBondContact O-N 3.45Å; G401-L404 WeakPolarHBondContact O-CB 3.33Å; G401-L404 PolarHBondContact O-N 2.91Å
402	K	90.2	Very high	90.5	Very high	118 Å²	118	53 Å²	53	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-66.9	-15.4	175.9	-66.5	-173.4	179	-171.6	0	113.9	F398 I400 D676	F398-K402 WeakPolarHBondContact O-CG 3.45Å; F398-K402 PolarHBondContact O-N 3.3Å; I400-K402 VanDerWaalsContact C-N 3.33Å; I400-K402 PolarHBondContact O-N 3.23Å; K402-D676 IonicContact NZ-OD2 3.89Å; K402-D676 PolarHBondContact NZ-OD2 3.02Å
403	R	91.1	Very high	90.5	Very high	99 Å²	99	49.2 Å²	49.2	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-87.3	-20.3	167.8	-76.5	-168	-64	-79.8	9.4	113.9	C399 I400 G401 A405 T406 E420	C399-R403 WeakPolarHBondContact O-CG 3.34Å; C399-R403 PolarHBondContact O-N 3.38Å; C399-R403 PolarHBondContact O-NH1 2.86Å; I400-R403 WeakPolarHBondContact O-CA 3.41Å; I400-R403 WeakPolarHBondContact O-CB 3.37Å; I400-R403 PolarHBondContact O-N 3.1Å; G401-R403 PolarHBondContact O-N 3.45Å; R403-A405 VanDerWaalsContact C-N 3.29Å; R403-T406 PolarHBondContact O-OG1 2.94Å; R403-E420 IonicContact CZ-OE1 2.92Å; R403-E420 IonicContact CZ-OE2 3.59Å; R403-E420 IonicContact NE-OE1 2.73Å; R403-E420 PolarHBondContact NE-OE1 3.32Å; R403-E420 IonicContact NE-OE2 2.69Å; R403-E420 PolarHBondContact NE-OE2 3.05Å; R403-E420 IonicContact NH2-OE1 3.44Å; R403-E420 IonicContact NH2-OE2 3.58Å; R403-E420 PolarHBondContact NH2-OE2 3.39Å
404	L	91.1	Very high	90.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-72.3	-26	175.9	-56.3	-172.7	0	0	0	112.1	I400 G401 T406 L407 K413 R416 L417 V453 Y462	I400-L404 PolarHBondContact O-N 3.32Å; I400-L404 VanDerWaalsContact O-N 3.13Å; G401-L404 WeakPolarHBondContact O-CB 3.33Å; G401-L404 PolarHBondContact O-N 2.91Å; L404-T406 PolarHBondContact O-N 3.15Å; L404-T406 VanDerWaalsContact O-N 3.13Å; L404-L407 PolarHBondContact O-N 2.97Å; L404-K413 HydrophobicContact CB-CB 4.45Å; L404-K413 HydrophobicContact CB-CG 4.26Å; L404-K413 WeakPolarHBondContact CD2-O 3.32Å; L404-K413 VanDerWaalsContact O-CE 3.31Å; L404-K413 WeakPolarHBondContact O-CE 3.17Å; L404-R416 HydrophobicContact CD2-CB 3.96Å; L404-R416 HydrophobicContact CD2-CG 3.94Å; L404-L417 HydrophobicContact CD1-CB 4.17Å; L404-L417 HydrophobicContact CD1-CD1 4.37Å; L404-L417 HydrophobicContact CD2-CB 4.26Å; L404-V453 HydrophobicContact CD1-CG2 3.82Å; L404-Y462 HydrophobicContact CD1-CD1 4.07Å
405	A	87.6	Confident	90.4	Very high	44 Å²	44	55.3 Å²	55.3	36%	0.364	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18	179.4	0	0	0	0	0	114.9	R403 L407 D458	R403-A405 VanDerWaalsContact C-N 3.29Å; A405-L407 VanDerWaalsContact C-N 3.29Å; A405-L407 PolarHBondContact O-N 3.29Å; A405-D458 WeakPolarHBondContact CA-O 3.46Å; A405-D458 VanDerWaalsContact CB-O 3.3Å; A405-D458 WeakPolarHBondContact CB-O 3.46Å
406	T	88.1	Confident	90.5	Very high	116 Å²	116	54.3 Å²	54.3	71%	0.712	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.6	178.7	67.9	0	0	0	0	113.9	R403 L404	R403-T406 PolarHBondContact O-OG1 2.94Å; L404-T406 PolarHBondContact O-N 3.15Å; L404-T406 VanDerWaalsContact O-N 3.13Å
407	L	89.2	Confident	90.6	Very high	46 Å²	46	53.1 Å²	53.1	24%	0.241	27%	0.273	C	S	.	.			trans	-111.9	144	-177.9	-60	172.2	0	0	0	109.1	L404 A405 Q412 K413 R416	L404-L407 PolarHBondContact O-N 2.97Å; A405-L407 VanDerWaalsContact C-N 3.29Å; A405-L407 PolarHBondContact O-N 3.29Å; L407-Q412 HydrophobicContact CB-CB 4.37Å; L407-Q412 HydrophobicContact CD1-CB 4.4Å; L407-K413 HydrophobicContact CB-CG 3.89Å; L407-K413 HydrophobicContact CD1-CG 4.5Å; L407-K413 WeakPolarHBondContact O-CE 3.12Å; L407-K413 PolarHBondContact O-NZ 2.77Å; L407-R416 HydrophobicContact CD1-CB 3.67Å; L407-R416 HydrophobicContact CD1-CG 4.12Å
408	P	86.1	Confident	90.6	Very high	92 Å²	92	54.7 Å²	54.7	60%	0.597	28%	0.281	S	S	*	.	S	Bend	trans	-79.8	-47.9	178.7	27.1	-33.1	0	0	0	113.6
409	T	87.4	Confident	90.9	Very high	50 Å²	50	55.8 Å²	55.8	31%	0.307	29%	0.292	S	S	.	.	S	Bend	trans	-97.6	155.3	-167.7	90.3	0	0	0	0	114.4	E411 Q412 K413	T409-E411 VanDerWaalsContact C-N 3.27Å; T409-E411 WeakPolarHBondContact CB-OE2 3.39Å; T409-E411 PolarHBondContact O-N 3.5Å; T409-E411 PolarHBondContact OG1-OE2 3.17Å; T409-Q412 PolarHBondContact O-N 3.21Å; T409-Q412 WeakPolarHBondContact OG1-CG 3.42Å; T409-Q412 PolarHBondContact OG1-N 2.92Å; T409-K413 WeakPolarHBondContact O-CB 3.18Å; T409-K413 VanDerWaalsContact O-CG 3.25Å; T409-K413 WeakPolarHBondContact O-CG 3.12Å; T409-K413 PolarHBondContact O-N 3.48Å
410	K	86.3	Confident	91.1	Very high	17 Å²	17	54 Å²	54	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-29.6	-177.5	167.5	172.8	172.9	166.1	0	112.2	T414 V453 L454 D597 S599	K410-T414 VanDerWaalsContact O-CB 3.27Å; K410-T414 WeakPolarHBondContact O-CB 3.48Å; K410-T414 PolarHBondContact O-N 2.98Å; K410-T414 PolarHBondContact O-OG1 2.96Å; K410-V453 VanDerWaalsContact CE-O 3.31Å; K410-V453 WeakPolarHBondContact CE-O 3.14Å; K410-V453 WeakPolarHBondContact CG-O 3.46Å; K410-L454 WeakPolarHBondContact CE-O 3.38Å; K410-L454 PolarHBondContact NZ-O 3Å; K410-D597 WeakPolarHBondContact CE-OD1 3.27Å; K410-D597 IonicContact NZ-OD1 3.25Å; K410-D597 PolarHBondContact NZ-OD1 2.9Å; K410-D597 IonicContact NZ-OD2 3.94Å; K410-D597 PolarHBondContact NZ-OD2 2.7Å; K410-S599 PolarHBondContact NZ-OG 3.08Å
411	E	86.7	Confident	91.2	Very high	78 Å²	78	53.7 Å²	53.7	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-76.4	-45.3	-179.5	-53.4	60.3	-115.2	0	0	109.5	T409 T414 Q415	T409-E411 VanDerWaalsContact C-N 3.27Å; T409-E411 WeakPolarHBondContact CB-OE2 3.39Å; T409-E411 PolarHBondContact O-N 3.5Å; T409-E411 PolarHBondContact OG1-OE2 3.17Å; E411-T414 PolarHBondContact O-N 3.47Å; E411-Q415 WeakPolarHBondContact O-CB 3.49Å; E411-Q415 PolarHBondContact O-N 3.05Å
412	Q	90.5	Very high	91.4	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-44	174.2	-68.2	176.3	0.2	0	0	111	L407 T409 T414 Q415 R416	L407-Q412 HydrophobicContact CB-CB 4.37Å; L407-Q412 HydrophobicContact CD1-CB 4.4Å; T409-Q412 PolarHBondContact O-N 3.21Å; T409-Q412 WeakPolarHBondContact OG1-CG 3.42Å; T409-Q412 PolarHBondContact OG1-N 2.92Å; Q412-T414 VanDerWaalsContact C-N 3.34Å; Q412-T414 PolarHBondContact O-N 3.07Å; Q412-Q415 PolarHBondContact O-N 2.73Å; Q412-R416 WeakPolarHBondContact O-CB 3.37Å; Q412-R416 PolarHBondContact O-N 3.32Å
413	K	92.5	Very high	91.6	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-45.2	173.1	-70.4	175.5	-177	178.2	0	111.2	L404 L407 T409 R416 L417 V453 S456 K457 A460	L404-K413 HydrophobicContact CB-CB 4.45Å; L404-K413 HydrophobicContact CB-CG 4.26Å; L404-K413 WeakPolarHBondContact CD2-O 3.32Å; L404-K413 VanDerWaalsContact O-CE 3.31Å; L404-K413 WeakPolarHBondContact O-CE 3.17Å; L407-K413 HydrophobicContact CB-CG 3.89Å; L407-K413 HydrophobicContact CD1-CG 4.5Å; L407-K413 WeakPolarHBondContact O-CE 3.12Å; L407-K413 PolarHBondContact O-NZ 2.77Å; T409-K413 WeakPolarHBondContact O-CB 3.18Å; T409-K413 VanDerWaalsContact O-CG 3.25Å; T409-K413 WeakPolarHBondContact O-CG 3.12Å; T409-K413 PolarHBondContact O-N 3.48Å; K413-R416 PolarHBondContact O-N 2.94Å; K413-L417 VanDerWaalsContact O-CB 3.32Å; K413-L417 WeakPolarHBondContact O-CB 3.38Å; K413-L417 PolarHBondContact O-N 3.19Å; K413-V453 HydrophobicContact CB-CB 4.14Å; K413-V453 HydrophobicContact CB-CG1 3.99Å; K413-V453 HydrophobicContact CB-CG2 3.85Å; K413-V453 HydrophobicContact CD-CG1 4.28Å; K413-S456 PolarHBondContact NZ-O 2.87Å; K413-K457 PolarHBondContact NZ-O 2.87Å; K413-A460 HydrophobicContact CD-CB 4.11Å
414	T	92.9	Very high	91.8	Very high	15 Å²	15	50.4 Å²	50.4	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-46.6	178.2	-63	0	0	0	0	112.1	K410 E411 Q412 R416 L417 I418 V452 V453	K410-T414 VanDerWaalsContact O-CB 3.27Å; K410-T414 WeakPolarHBondContact O-CB 3.48Å; K410-T414 PolarHBondContact O-N 2.98Å; K410-T414 PolarHBondContact O-OG1 2.96Å; E411-T414 PolarHBondContact O-N 3.47Å; Q412-T414 VanDerWaalsContact C-N 3.34Å; Q412-T414 PolarHBondContact O-N 3.07Å; T414-R416 VanDerWaalsContact C-N 3.31Å; T414-R416 PolarHBondContact O-N 3.41Å; T414-L417 WeakPolarHBondContact O-CB 3.37Å; T414-L417 PolarHBondContact O-N 3.12Å; T414-L417 VanDerWaalsContact O-N 3.17Å; T414-I418 HydrophobicContact CG2-CD1 3.95Å; T414-I418 HydrophobicContact CG2-CG1 4.47Å; T414-I418 VanDerWaalsContact O-CG1 3.28Å; T414-I418 WeakPolarHBondContact O-CG1 3.13Å; T414-I418 PolarHBondContact O-N 3.31Å; T414-V452 HydrophobicContact CG2-CG1 4.28Å; T414-V453 WeakPolarHBondContact OG1-CB 3.4Å; T414-V453 PolarHBondContact OG1-N 2.56Å; T414-V453 VanDerWaalsContact OG1-N 3.13Å
415	Q	92.5	Very high	91.9	Very high	131 Å²	131	51.2 Å²	51.2	61%	0.612	28%	0.278	S	S	*	.	H	α-helix	trans	-62.6	-38	177.7	-173.1	62.5	9.4	0	0	112.1	E411 Q412 S419	E411-Q415 WeakPolarHBondContact O-CB 3.49Å; E411-Q415 PolarHBondContact O-N 3.05Å; Q412-Q415 PolarHBondContact O-N 2.73Å; Q415-S419 PolarHBondContact O-N 3.19Å
416	R	94.5	Very high	92.1	Very high	118 Å²	118	54.7 Å²	54.7	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-45.7	173.1	-174.7	63.6	-174.7	-147.5	8.2	111.4	L404 L407 Q412 K413 T414 I418 S419 E420	L404-R416 HydrophobicContact CD2-CB 3.96Å; L404-R416 HydrophobicContact CD2-CG 3.94Å; L407-R416 HydrophobicContact CD1-CB 3.67Å; L407-R416 HydrophobicContact CD1-CG 4.12Å; Q412-R416 WeakPolarHBondContact O-CB 3.37Å; Q412-R416 PolarHBondContact O-N 3.32Å; K413-R416 PolarHBondContact O-N 2.94Å; T414-R416 VanDerWaalsContact C-N 3.31Å; T414-R416 PolarHBondContact O-N 3.41Å; R416-I418 PolarHBondContact O-N 2.92Å; R416-S419 PolarHBondContact O-N 2.89Å; R416-S419 VanDerWaalsContact O-N 3.15Å; R416-S419 PolarHBondContact O-OG 3.19Å; R416-E420 HydrophobicContact CG-CG 4.18Å; R416-E420 IonicContact CZ-OE1 3.88Å; R416-E420 VanDerWaalsContact CZ-OE1 3.23Å; R416-E420 IonicContact NE-OE1 3.1Å; R416-E420 PolarHBondContact NE-OE1 3.03Å; R416-E420 IonicContact NH2-OE1 2.74Å; R416-E420 PolarHBondContact NH2-OE1 3.33Å; R416-E420 VanDerWaalsContact O-CG 3.23Å; R416-E420 WeakPolarHBondContact O-CG 3.49Å; R416-E420 PolarHBondContact O-N 3.37Å
417	L	95.7	Very high	92.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.4	-48.2	176.3	175.6	63.7	0	0	0	112	I400 L404 K413 T414 S419 E420 L421 A451 V453 Y462	I400-L417 HydrophobicContact CG2-CD1 3.74Å; L404-L417 HydrophobicContact CD1-CB 4.17Å; L404-L417 HydrophobicContact CD1-CD1 4.37Å; L404-L417 HydrophobicContact CD2-CB 4.26Å; K413-L417 VanDerWaalsContact O-CB 3.32Å; K413-L417 WeakPolarHBondContact O-CB 3.38Å; K413-L417 PolarHBondContact O-N 3.19Å; T414-L417 WeakPolarHBondContact O-CB 3.37Å; T414-L417 PolarHBondContact O-N 3.12Å; T414-L417 VanDerWaalsContact O-N 3.17Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 3.47Å; L417-E420 PolarHBondContact O-N 3.31Å; L417-L421 HydrophobicContact CD1-CD1 3.65Å; L417-L421 HydrophobicContact CD1-CD2 4.44Å; L417-L421 HydrophobicContact CD1-CG 3.86Å; L417-L421 HydrophobicContact CG-CD1 3.85Å; L417-L421 HydrophobicContact CG-CG 4.4Å; L417-L421 WeakPolarHBondContact O-CB 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.2Å; L417-L421 PolarHBondContact O-N 2.98Å; L417-A451 HydrophobicContact CD2-CB 3.88Å; L417-A451 HydrophobicContact CG-CB 4.08Å; L417-V453 HydrophobicContact CB-CG2 4.28Å; L417-V453 HydrophobicContact CD2-CG2 3.69Å; L417-Y462 HydrophobicContact CD1-CD2 3.6Å; L417-Y462 HydrophobicContact CD1-CE2 3.63Å; L417-Y462 HydrophobicContact CD1-CG 4.11Å; L417-Y462 HydrophobicContact CD2-CD2 3.67Å; L417-Y462 HydrophobicContact CD2-CG 3.86Å; L417-Y462 HydrophobicContact CG-CD2 4.29Å
418	I	95.2	Very high	92.6	Very high	33 Å²	33	53.1 Å²	53.1	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-43.9	177.5	-64.7	162.6	0	0	0	111.1	T414 R416 S422 H448 T449	T414-I418 HydrophobicContact CG2-CD1 3.95Å; T414-I418 HydrophobicContact CG2-CG1 4.47Å; T414-I418 VanDerWaalsContact O-CG1 3.28Å; T414-I418 WeakPolarHBondContact O-CG1 3.13Å; T414-I418 PolarHBondContact O-N 3.31Å; R416-I418 PolarHBondContact O-N 2.92Å; I418-S422 PolarHBondContact O-N 3.22Å; I418-S422 VanDerWaalsContact O-N 3.14Å; I418-H448 WeakPolarHBondContact CG1-O 3.31Å; I418-H448 PolarHBondContact O-ND1 2.83Å; I418-T449 HydrophobicContact CG2-CG2 4.44Å
419	S	94.8	Very high	93	Very high	54 Å²	54	49.7 Å²	49.7	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-67.4	-38.6	179.4	73.9	0	0	0	0	113.1	Q415 R416 L417 S422 L423	Q415-S419 PolarHBondContact O-N 3.19Å; R416-S419 PolarHBondContact O-N 2.89Å; R416-S419 VanDerWaalsContact O-N 3.15Å; R416-S419 PolarHBondContact O-OG 3.19Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 3.47Å; S419-S422 WeakPolarHBondContact O-CB 3.4Å; S419-S422 PolarHBondContact O-N 3.11Å; S419-L423 PolarHBondContact O-N 2.75Å
420	E	95.8	Very high	93.3	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.065	24%	0.24	C	C	.	.	H	α-helix	trans	-74.7	-38.3	-177.9	-67.4	-86.1	-167.6	0	0	112	I400 R403 R416 L417 S422 L423 L424	I400-E420 HydrophobicContact CB-CB 4.45Å; I400-E420 HydrophobicContact CD1-CB 3.83Å; I400-E420 HydrophobicContact CG1-CB 3.83Å; I400-E420 HydrophobicContact CG2-CB 3.81Å; I400-E420 HydrophobicContact CG2-CG 4.28Å; R403-E420 IonicContact CZ-OE1 2.92Å; R403-E420 IonicContact CZ-OE2 3.59Å; R403-E420 IonicContact NE-OE1 2.73Å; R403-E420 PolarHBondContact NE-OE1 3.32Å; R403-E420 IonicContact NE-OE2 2.69Å; R403-E420 PolarHBondContact NE-OE2 3.05Å; R403-E420 IonicContact NH2-OE1 3.44Å; R403-E420 IonicContact NH2-OE2 3.58Å; R403-E420 PolarHBondContact NH2-OE2 3.39Å; R416-E420 HydrophobicContact CG-CG 4.18Å; R416-E420 IonicContact CZ-OE1 3.88Å; R416-E420 VanDerWaalsContact CZ-OE1 3.23Å; R416-E420 IonicContact NE-OE1 3.1Å; R416-E420 PolarHBondContact NE-OE1 3.03Å; R416-E420 IonicContact NH2-OE1 2.74Å; R416-E420 PolarHBondContact NH2-OE1 3.33Å; R416-E420 VanDerWaalsContact O-CG 3.23Å; R416-E420 WeakPolarHBondContact O-CG 3.49Å; R416-E420 PolarHBondContact O-N 3.37Å; L417-E420 PolarHBondContact O-N 3.31Å; E420-S422 VanDerWaalsContact C-N 3.31Å; E420-L423 WeakPolarHBondContact O-CB 3.46Å; E420-L423 PolarHBondContact O-N 2.87Å; E420-L424 PolarHBondContact O-N 2.73Å
421	L	96	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.4	-28.8	173.6	-67.2	174.7	0	0	0	112.3	L397 I400 L417 L423 L424 N425 V446 H448 A451 I464	L397-L421 HydrophobicContact CD2-CD2 3.86Å; I400-L421 HydrophobicContact CD1-CD2 3.91Å; I400-L421 HydrophobicContact CD1-CG 4.49Å; L417-L421 HydrophobicContact CD1-CD1 3.65Å; L417-L421 HydrophobicContact CD1-CD2 4.44Å; L417-L421 HydrophobicContact CD1-CG 3.86Å; L417-L421 HydrophobicContact CG-CD1 3.85Å; L417-L421 HydrophobicContact CG-CG 4.4Å; L417-L421 WeakPolarHBondContact O-CB 3.24Å; L417-L421 WeakPolarHBondContact O-CG 3.2Å; L417-L421 PolarHBondContact O-N 2.98Å; L421-L423 VanDerWaalsContact C-N 3.28Å; L421-L423 PolarHBondContact O-N 2.7Å; L421-L424 HydrophobicContact CD2-CD2 4.01Å; L421-L424 WeakPolarHBondContact O-CB 3.38Å; L421-L424 PolarHBondContact O-N 3.38Å; L421-L424 VanDerWaalsContact O-N 3.15Å; L421-N425 PolarHBondContact O-N 3.36Å; L421-V446 HydrophobicContact CB-CG1 4.3Å; L421-V446 HydrophobicContact CD1-CG1 4.21Å; L421-V446 HydrophobicContact CD2-CG1 4.34Å; L421-H448 HydrophobicContact CB-CB 3.59Å; L421-A451 HydrophobicContact CD1-CB 3.35Å; L421-I464 HydrophobicContact CD1-CG2 3.63Å; L421-I464 HydrophobicContact CD2-CG2 4.42Å
422	S	95.2	Very high	93.9	Very high	42 Å²	42	47.6 Å²	47.6	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-39.9	169.9	-166.4	0	0	0	0	111.6	I418 S419 E420 L424 N425	I418-S422 PolarHBondContact O-N 3.22Å; I418-S422 VanDerWaalsContact O-N 3.14Å; S419-S422 WeakPolarHBondContact O-CB 3.4Å; S419-S422 PolarHBondContact O-N 3.11Å; E420-S422 VanDerWaalsContact C-N 3.31Å; S422-L424 VanDerWaalsContact C-N 3.34Å; S422-N425 PolarHBondContact O-N 3.16Å
423	L	94.6	Very high	94.1	Very high	105 Å²	105	43.6 Å²	43.6	55%	0.55	22%	0.215	S	C	.	.	H	α-helix	trans	-70.1	-30.4	175.3	-61.7	174.8	0	0	0	112.4	S419 E420 L421 N425 H426	S419-L423 PolarHBondContact O-N 2.75Å; E420-L423 WeakPolarHBondContact O-CB 3.46Å; E420-L423 PolarHBondContact O-N 2.87Å; L421-L423 VanDerWaalsContact C-N 3.28Å; L421-L423 PolarHBondContact O-N 2.7Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 2.82Å; L423-H426 WeakPolarHBondContact O-CB 3.43Å; L423-H426 PolarHBondContact O-N 2.89Å
424	L	94.7	Very high	94.2	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-36.1	176.1	-173	58.8	0	0	0	112.1	F393 L397 E420 L421 S422 H426 K427	F393-L424 HydrophobicContact CD2-CD1 4.16Å; F393-L424 HydrophobicContact CD2-CD2 4.25Å; F393-L424 HydrophobicContact CD2-CG 4.45Å; F393-L424 HydrophobicContact CE2-CD2 3.88Å; F393-L424 HydrophobicContact CE2-CG 4.35Å; L397-L424 HydrophobicContact CD2-CD2 3.67Å; L397-L424 HydrophobicContact CG-CD2 4.29Å; E420-L424 PolarHBondContact O-N 2.73Å; L421-L424 HydrophobicContact CD2-CD2 4.01Å; L421-L424 WeakPolarHBondContact O-CB 3.38Å; L421-L424 PolarHBondContact O-N 3.38Å; L421-L424 VanDerWaalsContact O-N 3.15Å; S422-L424 VanDerWaalsContact C-N 3.34Å; L424-H426 PolarHBondContact O-N 3.29Å; L424-H426 VanDerWaalsContact O-N 3.14Å; L424-K427 PolarHBondContact O-N 3.29Å
425	N	94.3	Very high	94.1	Very high	18 Å²	18	44.2 Å²	44.2	10%	0.096	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.8	-19.5	175.1	-77.4	-44.6	0	0	0	114.2	L421 S422 L423 K427 L428 V446	L421-N425 PolarHBondContact O-N 3.36Å; S422-N425 PolarHBondContact O-N 3.16Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 2.82Å; N425-K427 PolarHBondContact O-N 3.42Å; N425-L428 PolarHBondContact O-N 3.1Å; N425-V446 PolarHBondContact ND2-O 3.22Å; N425-V446 PolarHBondContact OD1-N 3.47Å; N425-V446 PolarHBondContact OD1-O 2.82Å
426	H	92	Very high	93.9	Very high	117 Å²	117	38.4 Å²	38.4	54%	0.542	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-68.3	-17.8	173.1	-62.8	162.4	0	0	0	113.2	L423 L424	L423-H426 WeakPolarHBondContact O-CB 3.43Å; L423-H426 PolarHBondContact O-N 2.89Å; L424-H426 PolarHBondContact O-N 3.29Å; L424-H426 VanDerWaalsContact O-N 3.14Å
427	K	93.3	Very high	93.6	Very high	123 Å²	123	34.1 Å²	34.1	54%	0.535	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-99	8.4	176.2	-55.4	-173.4	179	-174.7	0	113.8	L424 N425	L424-K427 PolarHBondContact O-N 3.29Å; N425-K427 PolarHBondContact O-N 3.42Å
428	L	94.3	Very high	93	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	22%	0.216	C	C	.	.			trans	-120.9	148.9	-175.3	-63.7	175.2	0	0	0	111.5	F393 N425 V432 V443 V446 R482	F393-L428 HydrophobicContact CD2-CD2 4.43Å; F393-L428 HydrophobicContact CE2-CD2 4.42Å; N425-L428 PolarHBondContact O-N 3.1Å; L428-V432 HydrophobicContact CD2-CG2 3.77Å; L428-V443 HydrophobicContact CD1-CG1 4.06Å; L428-V443 HydrophobicContact CD2-CG1 4.21Å; L428-V446 HydrophobicContact CD1-CG2 3.96Å; L428-R482 WeakPolarHBondContact O-CD 3.38Å
429	P	94.6	Very high	92.6	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.123	22%	0.224	C	C	.	.	S	Bend	cis	-69.1	157.4	-4.2	-17.1	32.6	0	0	0	113.4	C444 V479 P480 Y620	P429-C444 HydrophobicContact CB-CB 4.36Å; P429-C444 HydrophobicContact CG-CB 4.02Å; P429-V479 HydrophobicContact CB-CG1 4.09Å; P429-P480 HydrophobicContact CB-CB 4.19Å; P429-P480 WeakPolarHBondContact CB-O 3.23Å; P429-P480 HydrophobicContact CG-CB 4.22Å; P429-P480 WeakPolarHBondContact CG-O 3.1Å; P429-Y620 WeakPolarHBondContact CD-OH 3.11Å; P429-Y620 HydrophobicContact CG-CE1 4.41Å; P429-Y620 WeakPolarHBondContact CG-OH 3.48Å
430	A	92.1	Very high	92.5	Very high	23 Å²	23	45.3 Å²	45.3	19%	0.19	23%	0.228	C	C	.	.			trans	-150.8	177.5	175.4	0	0	0	0	0	111.2	V432 H442	A430-V432 HydrophobicContact CB-CG1 4.22Å; A430-V432 HydrophobicContact CB-CG2 4.02Å; A430-V432 WeakPolarHBondContact O-CG2 3.29Å; A430-V432 PolarHBondContact O-N 3.5Å; A430-H442 PolarHBondContact O-CD2 2.96Å
431	R	92.4	Very high	92.4	Very high	75 Å²	75	44.8 Å²	44.8	28%	0.283	23%	0.225	S	C	.	.	S	Bend	trans	-71.9	69.8	171.4	-65.5	-165.9	118	-83.4	-16.3	111	P389 F474 E475 S477 V479	P389-R431 HydrophobicContact CB-CB 4.47Å; P389-R431 HydrophobicContact CG-CB 4.38Å; R431-F474 HydrophobicContact CB-CZ 4.25Å; R431-F474 PolarHBondContact NH2-O 3Å; R431-E475 PolarHBondContact NH2-O 2.99Å; R431-S477 PolarHBondContact NH2-O 3.07Å; R431-V479 HydrophobicContact CB-CG2 4.38Å; R431-V479 HydrophobicContact CG-CG2 3.33Å
432	V	94.5	Very high	92.4	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.226	C	C	.	.			trans	-140.3	145	-173.8	-66.8	0	0	0	0	111.1	P389 Q390 F393 L428 A430 V443	P389-V432 HydrophobicContact CB-CG1 4.13Å; Q390-V432 VanDerWaalsContact OE1-CA 3.24Å; F393-V432 HydrophobicContact CB-CB 4.49Å; F393-V432 HydrophobicContact CB-CG1 3.79Å; F393-V432 HydrophobicContact CG-CB 4.39Å; F393-V432 HydrophobicContact CG-CG1 4.2Å; L428-V432 HydrophobicContact CD2-CG2 3.77Å; A430-V432 HydrophobicContact CB-CG1 4.22Å; A430-V432 HydrophobicContact CB-CG2 4.02Å; A430-V432 WeakPolarHBondContact O-CG2 3.29Å; A430-V432 PolarHBondContact O-N 3.5Å; V432-V443 HydrophobicContact CG2-CB 3.82Å; V432-V443 HydrophobicContact CG2-CG2 4.36Å; V432-V443 PolarHBondContact O-N 2.94Å
433	W	95.1	Very high	92.5	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.042	21%	0.212	C	C	.	.			trans	-148	163.9	-176.5	71.9	112.9	0	0	0	111.5	I254 T255 L258 L387 Q390 P435 H441 F474	I254-W433 HydrophobicContact CD1-CH2 3.95Å; I254-W433 HydrophobicContact CD1-CZ3 4.38Å; I254-W433 HydrophobicContact CG1-CH2 3.83Å; I254-W433 HydrophobicContact CG1-CZ2 4.31Å; I254-W433 HydrophobicContact CG2-CH2 4.33Å; I254-W433 HydrophobicContact CG2-CZ2 4.18Å; T255-W433 PolarHBondContact OG1-NE1 2.91Å; L258-W433 HydrophobicContact CB-CZ2 4.19Å; L258-W433 HydrophobicContact CD2-CH2 3.96Å; L258-W433 HydrophobicContact CD2-CZ2 3.56Å; L387-W433 HydrophobicContact CD2-CH2 4.08Å; Q390-W433 HydrophobicContact CB-CE3 4.29Å; Q390-W433 HydrophobicContact CB-CH2 4.27Å; Q390-W433 HydrophobicContact CB-CZ3 3.69Å; Q390-W433 HydrophobicContact CG-CE3 4.04Å; Q390-W433 HydrophobicContact CG-CH2 4.01Å; Q390-W433 HydrophobicContact CG-CZ3 3.69Å; Q390-W433 PolarHBondContact NE2-O 2.99Å; Q390-W433 PolarHBondContact OE1-O 3.38Å; W433-P435 WeakPolarHBondContact O-CD 3.43Å; W433-H441 WeakPolarHBondContact CB-O 3.4Å; W433-F474 HydrophobicContact CB-CD2 4.49Å; W433-F474 HydrophobicContact CB-CE2 4.13Å; W433-F474 HydrophobicContact CD2-CE1 4.26Å; W433-F474 HydrophobicContact CD2-CE2 4.34Å; W433-F474 HydrophobicContact CD2-CZ 4.04Å; W433-F474 HydrophobicContact CE3-CD1 4.46Å; W433-F474 AromaticContact CE3-CE1 3.59Å; W433-F474 HydrophobicContact CE3-CE1 3.59Å; W433-F474 AromaticContact CE3-CE2 3.91Å; W433-F474 HydrophobicContact CE3-CE2 3.91Å; W433-F474 AromaticContact CE3-CZ 3.27Å; W433-F474 HydrophobicContact CE3-CZ 3.27Å; W433-F474 HydrophobicContact CG-CE2 4.48Å; W433-F474 HydrophobicContact CH2-CE1 4.28Å; W433-F474 AromaticContact CZ3-CE1 3.61Å; W433-F474 HydrophobicContact CZ3-CE1 3.61Å; W433-F474 AromaticContact CZ3-CZ 3.67Å; W433-F474 HydrophobicContact CZ3-CZ 3.67Å
434	L	94.4	Very high	92.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.186	C	C	.	.			trans	-101.1	111.4	170.4	-63.3	-174	0	0	0	109.9	F393 T436 A437 H441 V466 L629 V631	F393-L434 HydrophobicContact CE1-CD2 4.25Å; L434-T436 PolarHBondContact O-N 3.31Å; L434-A437 PolarHBondContact O-N 3.22Å; L434-H441 PolarHBondContact N-CE1 2.9Å; L434-H441 PolarHBondContact N-NE2 3.19Å; L434-H441 PolarHBondContact O-CE1 3.45Å; L434-V466 HydrophobicContact CD1-CB 3.92Å; L434-V466 HydrophobicContact CD1-CG1 4.15Å; L434-V466 HydrophobicContact CD1-CG2 3.95Å; L434-L629 HydrophobicContact CB-CD1 4.25Å; L434-L629 HydrophobicContact CD1-CB 4Å; L434-L629 HydrophobicContact CD1-CD1 4.01Å; L434-L629 HydrophobicContact CG-CD1 4.48Å; L434-V631 HydrophobicContact CD1-CB 4.46Å; L434-V631 HydrophobicContact CD1-CG1 4.13Å; L434-V631 HydrophobicContact CD2-CG1 4.41Å
435	P	90.8	Very high	92.6	Very high	26 Å²	26	39.3 Å²	39.3	17%	0.169	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-1.9	179.1	-25.4	37.8	0	0	0	115.7	T255 L258 L259 W262 W433 L671	T255-P435 HydrophobicContact CG2-CB 4.44Å; L258-P435 HydrophobicContact CD2-CG 3.79Å; L259-P435 HydrophobicContact CD2-CB 4.3Å; W262-P435 HydrophobicContact CH2-CG 4.27Å; W262-P435 HydrophobicContact CZ3-CG 3.99Å; W433-P435 WeakPolarHBondContact O-CD 3.43Å; P435-L671 HydrophobicContact CB-CD1 4.29Å; P435-L671 HydrophobicContact CB-CD2 4.07Å; P435-L671 HydrophobicContact CG-CD2 4.18Å
436	T	87	Confident	92.7	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.7	169.2	49	0	0	0	0	112.9	L434 K669 E681	L434-T436 PolarHBondContact O-N 3.31Å; T436-K669 WeakPolarHBondContact O-CD 3.37Å; T436-K669 WeakPolarHBondContact O-CE 3.26Å; T436-K669 PolarHBondContact O-NZ 2.92Å; T436-E681 HydrophobicContact CG2-CB 4.43Å
437	A	88.2	Confident	92.8	Very high	28 Å²	28	33.2 Å²	33.2	23%	0.231	16%	0.162	C	C	.	.			trans	-77.2	141.5	179	0	0	0	0	0	111.9	L434 H439 H441 L629	L434-A437 PolarHBondContact O-N 3.22Å; A437-H439 VanDerWaalsContact C-N 3.3Å; A437-H441 VanDerWaalsContact CB-CE1 3.44Å; A437-H441 WeakPolarHBondContact CB-CE1 3.4Å; A437-L629 HydrophobicContact CB-CD1 3.75Å; A437-L629 HydrophobicContact CB-CD2 4.39Å
438	E	83	Confident	92.8	Very high	150 Å²	150	29.2 Å²	29.2	70%	0.701	15%	0.145	S	C	*	.	S	Bend	trans	-74.3	-20.8	172.9	-73.7	140.6	-148.6	0	0	113.3	K669	E438-K669 WeakPolarHBondContact OE1-CE 3.21Å; E438-K669 IonicContact OE1-NZ 2.71Å; E438-K669 PolarHBondContact OE1-NZ 2.8Å
439	H	87.5	Confident	92.7	Very high	73 Å²	73	32.9 Å²	32.9	34%	0.338	17%	0.169	S	C	.	.	S	Bend	trans	-109.5	137.6	-171.3	-54.9	62.1	0	0	0	109.8	A437 H441 E470 R627	A437-H439 VanDerWaalsContact C-N 3.3Å; H439-H441 PolarHBondContact O-ND1 3.33Å; H439-E470 HydrophobicContact CB-CG 4.13Å; H439-E470 IonicContact CD2-OE1 3.68Å; H439-E470 PolarHBondContact CD2-OE1 3.45Å; H439-E470 VanDerWaalsContact CD2-OE1 3.3Å; H439-E470 IonicContact CD2-OE2 2.7Å; H439-E470 IonicContact CG-OE1 3.69Å; H439-E470 IonicContact CG-OE2 3Å; H439-R627 PolarHBondContact CD2-NH1 3.29Å; H439-R627 PolarHBondContact CE1-NH1 3.28Å; H439-R627 PolarHBondContact ND1-NH1 2.83Å; H439-R627 PolarHBondContact NE2-NH1 3Å; H439-R627 VanDerWaalsContact NE2-NH1 3.15Å
440	Q	92.3	Very high	92.6	Very high	98 Å²	98	34 Å²	34	46%	0.458	17%	0.172	S	C	.	.			trans	-71.2	132.6	178.6	-65.9	-171.6	43.4	0	0	110.3	E470 C471 F474	Q440-E470 WeakPolarHBondContact O-CG 3.41Å; Q440-C471 WeakPolarHBondContact CB-O 3.48Å; Q440-C471 PolarHBondContact O-N 2.78Å; Q440-C471 VanDerWaalsContact O-O 3.09Å; Q440-F474 HydrophobicContact CB-CB 4.34Å
441	H	95.1	Very high	92.7	Very high	4 Å²	4	33 Å²	33	2%	0.019	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	162.6	-170.1	64.8	-92.4	0	0	0	112	W433 L434 A437 H439 V468 L469 F474	W433-H441 WeakPolarHBondContact CB-O 3.4Å; L434-H441 PolarHBondContact N-CE1 2.9Å; L434-H441 PolarHBondContact N-NE2 3.19Å; L434-H441 PolarHBondContact O-CE1 3.45Å; A437-H441 VanDerWaalsContact CB-CE1 3.44Å; A437-H441 WeakPolarHBondContact CB-CE1 3.4Å; H439-H441 PolarHBondContact O-ND1 3.33Å; H441-V468 HydrophobicContact CB-CB 4Å; H441-V468 HydrophobicContact CB-CG2 4.01Å; H441-V468 VanDerWaalsContact CD2-CG1 3.43Å; H441-V468 WeakPolarHBondContact CD2-CG1 3.5Å; H441-L469 CarbonylContact C-O 3.5Å; H441-L469 VanDerWaalsContact CA-O 3.26Å; H441-L469 WeakPolarHBondContact CA-O 3.43Å; H441-L469 WeakPolarHBondContact CB-O 3.28Å; H441-F474 VanDerWaalsContact O-CD2 3.24Å; H441-F474 WeakPolarHBondContact O-CD2 3.38Å; H441-F474 WeakPolarHBondContact O-CE2 3.3Å
442	H	95.9	Very high	92.6	Very high	2 Å²	2	30 Å²	30	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	167.7	-75.5	75.5	0	0	0	110.3	A430 C444 V468 L469 F474 P480	A430-H442 PolarHBondContact O-CD2 2.96Å; H442-C444 PolarHBondContact O-N 2.93Å; H442-V468 WeakPolarHBondContact O-CA 3.38Å; H442-L469 PolarHBondContact N-O 3.24Å; H442-L469 PolarHBondContact O-N 3.29Å; H442-F474 AromaticContact CD2-CE2 3.81Å; H442-F474 AromaticContact CE1-CD2 3.54Å; H442-F474 AromaticContact CE1-CE2 3.77Å; H442-F474 AromaticContact ND1-CD2 3.75Å; H442-F474 AromaticContact NE2-CD2 3.91Å; H442-F474 AromaticContact NE2-CE2 3.65Å; H442-P480 HydrophobicContact CB-CG 3.9Å
443	V	96.7	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.1	171.3	178.6	0	0	0	0	109.9	L428 V432 V466 V468	L428-V443 HydrophobicContact CD1-CG1 4.06Å; L428-V443 HydrophobicContact CD2-CG1 4.21Å; V432-V443 HydrophobicContact CG2-CB 3.82Å; V432-V443 HydrophobicContact CG2-CG2 4.36Å; V432-V443 PolarHBondContact O-N 2.94Å; V443-V466 HydrophobicContact CB-CG1 4.16Å; V443-V466 HydrophobicContact CG1-CG1 3.37Å; V443-V466 HydrophobicContact CG2-CG1 3.76Å; V443-V468 HydrophobicContact CG2-CG1 4.05Å
444	C	94.9	Very high	92.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-30	-178.9	63.3	0	0	0	0	113.9	P429 H442 E467 L469 Y620	P429-C444 HydrophobicContact CB-CB 4.36Å; P429-C444 HydrophobicContact CG-CB 4.02Å; H442-C444 PolarHBondContact O-N 2.93Å; C444-E467 PolarHBondContact N-O 2.86Å; C444-E467 VanDerWaalsContact SG-C 3.58Å; C444-E467 PolarHBondContact SG-O 3.21Å; C444-E467 VanDerWaalsContact SG-O 3.33Å; C444-L469 HydrophobicContact CB-CD1 4.37Å; C444-L469 HydrophobicContact CB-CG 4.22Å; C444-Y620 HydrophobicContact CB-CD1 4.27Å; C444-Y620 HydrophobicContact CB-CD2 3.98Å; C444-Y620 HydrophobicContact CB-CE1 4.21Å; C444-Y620 HydrophobicContact CB-CE2 3.92Å; C444-Y620 HydrophobicContact CB-CG 4.16Å
445	R	95.4	Very high	91.5	Very high	35 Å²	35	33.5 Å²	33.5	13%	0.132	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	155.2	-178.5	-173.1	165.5	177.3	-106	13.6	111.5	E467 E485 Y620	R445-E467 HydrophobicContact CB-CB 4.1Å; R445-E467 HydrophobicContact CB-CG 4.29Å; R445-E467 VanDerWaalsContact CD-OE1 3.24Å; R445-E467 WeakPolarHBondContact CD-OE1 3.3Å; R445-E467 WeakPolarHBondContact CG-OE1 3.3Å; R445-E467 IonicContact CZ-OE1 3.72Å; R445-E467 PolarHBondContact N-O 2.77Å; R445-E467 IonicContact NE-OE1 2.85Å; R445-E467 IonicContact NH1-OE1 3.83Å; R445-E467 PolarHBondContact NH1-OE1 2.91Å; R445-E467 WeakPolarHBondContact O-CB 3.49Å; R445-E467 PolarHBondContact O-N 2.93Å; R445-E485 IonicContact CZ-OE1 3.64Å; R445-E485 VanDerWaalsContact CZ-OE1 3.25Å; R445-E485 IonicContact NE-OE1 3.63Å; R445-E485 PolarHBondContact NE-OE1 3.41Å; R445-E485 IonicContact NH2-OE1 2.65Å; R445-E485 PolarHBondContact NH2-OE1 2.8Å; R445-Y620 HydrophobicContact CB-CD2 4.15Å; R445-Y620 HydrophobicContact CB-CE2 4Å
446	V	96.6	Very high	90.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.			trans	-115.5	115.7	168.7	174.8	0	0	0	0	107.3	L421 N425 L428 H448 V466	L421-V446 HydrophobicContact CB-CG1 4.3Å; L421-V446 HydrophobicContact CD1-CG1 4.21Å; L421-V446 HydrophobicContact CD2-CG1 4.34Å; N425-V446 PolarHBondContact ND2-O 3.22Å; N425-V446 PolarHBondContact OD1-N 3.47Å; N425-V446 PolarHBondContact OD1-O 2.82Å; L428-V446 HydrophobicContact CD1-CG2 3.96Å; V446-H448 PolarHBondContact O-N 3.48Å; V446-V466 HydrophobicContact CG2-CG2 4.47Å
447	P	95.1	Very high	90.3	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.039	21%	0.21	C	C	.	.			trans	-66.5	74.2	173.1	-22.5	35.8	0	0	0	111.2	T449 Q450 Y465 E467 I614 L628	P447-T449 PolarHBondContact O-N 3.41Å; P447-T449 VanDerWaalsContact O-N 3.1Å; P447-Q450 HydrophobicContact CB-CB 4.35Å; P447-Q450 HydrophobicContact CB-CG 3.95Å; P447-Q450 WeakPolarHBondContact O-CB 3.27Å; P447-Q450 PolarHBondContact O-N 3.08Å; P447-Y465 VanDerWaalsContact CD-O 3.26Å; P447-Y465 WeakPolarHBondContact CD-O 3.25Å; P447-E467 HydrophobicContact CG-CG 3.72Å; P447-I614 HydrophobicContact CB-CG2 4.15Å; P447-I614 HydrophobicContact CG-CG2 3.62Å; P447-L628 HydrophobicContact CG-CD1 4.29Å
448	H	93.8	Very high	89.7	Confident	39 Å²	39	45 Å²	45	18%	0.181	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32	-167.5	59.9	101.8	0	0	0	113.6	I418 L421 V446 Q450 A451	I418-H448 WeakPolarHBondContact CG1-O 3.31Å; I418-H448 PolarHBondContact O-ND1 2.83Å; L421-H448 HydrophobicContact CB-CB 3.59Å; V446-H448 PolarHBondContact O-N 3.48Å; H448-Q450 PolarHBondContact O-N 3.45Å; H448-A451 PolarHBondContact O-N 3.32Å
449	T	92	Very high	89.7	Confident	85 Å²	85	43.4 Å²	43.4	52%	0.521	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-68	-10	175.3	60.9	0	0	0	0	114.6	I418 P447	I418-T449 HydrophobicContact CG2-CG2 4.44Å; P447-T449 PolarHBondContact O-N 3.41Å; P447-T449 VanDerWaalsContact O-N 3.1Å
450	Q	91.8	Very high	89.6	Confident	42 Å²	42	40.1 Å²	40.1	20%	0.196	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-103.9	-5.2	179.9	-50.7	-57.4	-72.6	0	0	112.4	P447 H448 Y465 R613 I614	P447-Q450 HydrophobicContact CB-CB 4.35Å; P447-Q450 HydrophobicContact CB-CG 3.95Å; P447-Q450 WeakPolarHBondContact O-CB 3.27Å; P447-Q450 PolarHBondContact O-N 3.08Å; H448-Q450 PolarHBondContact O-N 3.45Å; Q450-Y465 HydrophobicContact CB-CD2 3.68Å; Q450-Y465 HydrophobicContact CB-CE2 4.25Å; Q450-Y465 WeakPolarHBondContact O-CD2 3.33Å; Q450-Y465 WeakPolarHBondContact O-CE2 3.42Å; Q450-R613 VanDerWaalsContact OE1-CZ 3.29Å; Q450-I614 HydrophobicContact CB-CD1 4.44Å; Q450-I614 HydrophobicContact CG-CD1 3.93Å; Q450-I614 HydrophobicContact CG-CG1 4.17Å
451	A	93.6	Very high	89.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.188	C	C	.	.			trans	-76.7	136.7	178.2	0	0	0	0	0	111	L417 L421 H448 I463 I464	L417-A451 HydrophobicContact CD2-CB 3.88Å; L417-A451 HydrophobicContact CG-CB 4.08Å; L421-A451 HydrophobicContact CD1-CB 3.35Å; H448-A451 PolarHBondContact O-N 3.32Å; A451-I463 WeakPolarHBondContact CA-O 3.49Å; A451-I464 HydrophobicContact CB-CG2 4Å
452	V	91.8	Very high	89.5	Confident	12 Å²	12	35.9 Å²	35.9	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144	-175.8	-167.7	0	0	0	0	111	T414 Y462 I463 A602	T414-V452 HydrophobicContact CG2-CG1 4.28Å; V452-Y462 WeakPolarHBondContact O-CA 3.47Å; V452-I463 HydrophobicContact CB-CG2 4.28Å; V452-I463 PolarHBondContact N-O 3.01Å; V452-I463 VanDerWaalsContact N-O 3.13Å; V452-I463 PolarHBondContact O-N 3.07Å; V452-A602 HydrophobicContact CG2-CB 3.91Å
453	V	91.7	Very high	89.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.5	175.1	-177.2	0	0	0	0	109.2	L404 K410 K413 T414 L417 N455 A460	L404-V453 HydrophobicContact CD1-CG2 3.82Å; K410-V453 VanDerWaalsContact CE-O 3.31Å; K410-V453 WeakPolarHBondContact CE-O 3.14Å; K410-V453 WeakPolarHBondContact CG-O 3.46Å; K413-V453 HydrophobicContact CB-CB 4.14Å; K413-V453 HydrophobicContact CB-CG1 3.99Å; K413-V453 HydrophobicContact CB-CG2 3.85Å; K413-V453 HydrophobicContact CD-CG1 4.28Å; T414-V453 WeakPolarHBondContact OG1-CB 3.4Å; T414-V453 PolarHBondContact OG1-N 2.56Å; T414-V453 VanDerWaalsContact OG1-N 3.13Å; L417-V453 HydrophobicContact CB-CG2 4.28Å; L417-V453 HydrophobicContact CD2-CG2 3.69Å; V453-N455 WeakPolarHBondContact CG1-O 3.34Å; V453-A460 HydrophobicContact CG1-CB 3.5Å
454	L	86.7	Confident	89.4	Confident	39 Å²	39	35.9 Å²	35.9	20%	0.204	19%	0.187	C	C	.	.			trans	-81	-36	-165.8	-57.9	178	0	0	0	112.9	K410 P461 I463 L603 I632	K410-L454 WeakPolarHBondContact CE-O 3.38Å; K410-L454 PolarHBondContact NZ-O 3Å; L454-P461 HydrophobicContact CB-CG 4.37Å; L454-P461 WeakPolarHBondContact CB-O 3.36Å; L454-P461 HydrophobicContact CD1-CB 4.45Å; L454-P461 HydrophobicContact CD1-CG 4.31Å; L454-P461 PolarHBondContact N-O 3.4Å; L454-I463 HydrophobicContact CD2-CB 4.28Å; L454-I463 HydrophobicContact CD2-CG2 3.93Å; L454-L603 HydrophobicContact CD2-CD1 4.46Å; L454-I632 HydrophobicContact CD1-CD1 3.96Å; L454-I632 HydrophobicContact CD1-CG1 4.16Å; L454-I632 HydrophobicContact CD1-CG2 4.02Å
455	N	81.3	Confident	89.4	Confident	53 Å²	53	36 Å²	36	28%	0.283	19%	0.187	S	C	.	.			trans	-138.1	173.8	178.7	73.9	42	0	0	0	112.7	V453 K457 A460 P461	V453-N455 WeakPolarHBondContact CG1-O 3.34Å; N455-K457 WeakPolarHBondContact OD1-CB 3.31Å; N455-K457 PolarHBondContact OD1-N 2.72Å; N455-A460 VanDerWaalsContact O-CB 3.24Å; N455-A460 WeakPolarHBondContact O-CB 3.04Å; N455-A460 WeakPolarHBondContact OD1-CA 3.49Å; N455-P461 WeakPolarHBondContact ND2-CD 3.42Å
456	S	74.8	Confident	89.5	Confident	72 Å²	72	34.3 Å²	34.3	50%	0.503	18%	0.181	S	C	.	.	S	Bend	trans	-90.1	-4	-178.4	51.8	0	0	0	0	114.7	K413	K413-S456 PolarHBondContact NZ-O 2.87Å
457	K	78.9	Confident	89.5	Confident	114 Å²	114	34.3 Å²	34.3	50%	0.496	18%	0.181	S	C	.	.	S	Bend	trans	-69	161.9	-173.6	-60.3	178.4	176.6	176	0	111.5	K413 N455 K459 A460 N883	K413-K457 PolarHBondContact NZ-O 2.87Å; N455-K457 WeakPolarHBondContact OD1-CB 3.31Å; N455-K457 PolarHBondContact OD1-N 2.72Å; K457-K459 VanDerWaalsContact C-N 3.33Å; K457-K459 PolarHBondContact O-N 2.85Å; K457-A460 WeakPolarHBondContact O-CB 3.14Å; K457-A460 PolarHBondContact O-N 2.85Å; K457-N883 WeakPolarHBondContact CE-OD1 3.25Å; K457-N883 PolarHBondContact NZ-OD1 3.21Å
458	D	75.6	Confident	89.6	Confident	119 Å²	119	34.2 Å²	34.2	64%	0.636	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-42.4	-174.1	-55.8	-26.3	0	0	0	112.1	A405 A460	A405-D458 WeakPolarHBondContact CA-O 3.46Å; A405-D458 VanDerWaalsContact CB-O 3.3Å; A405-D458 WeakPolarHBondContact CB-O 3.46Å; D458-A460 PolarHBondContact O-N 3.41Å
459	K	82.4	Confident	89.7	Confident	115 Å²	115	32.8 Å²	32.8	50%	0.5	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	43.4	171.6	-61.3	179.4	179.3	-178.3	0	112	K457 P461 G636 D637	K457-K459 VanDerWaalsContact C-N 3.33Å; K457-K459 PolarHBondContact O-N 2.85Å; K459-P461 VanDerWaalsContact O-CD 3.29Å; K459-P461 WeakPolarHBondContact O-CD 3.14Å; K459-G636 WeakPolarHBondContact CD-O 3.49Å; K459-G636 WeakPolarHBondContact CE-O 3.25Å; K459-G636 PolarHBondContact NZ-O 2.76Å; K459-D637 WeakPolarHBondContact CD-OD1 3.22Å
460	A	84.8	Confident	89.9	Confident	5 Å²	5	31.8 Å²	31.8	4%	0.041	16%	0.163	C	C	.	.			trans	-60.6	119.8	-175.7	0	0	0	0	0	111.6	K413 V453 N455 K457 D458	K413-A460 HydrophobicContact CD-CB 4.11Å; V453-A460 HydrophobicContact CG1-CB 3.5Å; N455-A460 VanDerWaalsContact O-CB 3.24Å; N455-A460 WeakPolarHBondContact O-CB 3.04Å; N455-A460 WeakPolarHBondContact OD1-CA 3.49Å; K457-A460 WeakPolarHBondContact O-CB 3.14Å; K457-A460 PolarHBondContact O-N 2.85Å; D458-A460 PolarHBondContact O-N 3.41Å
461	P	92.6	Very high	89.9	Confident	13 Å²	13	30.7 Å²	30.7	8%	0.084	16%	0.159	C	C	.	.			trans	-72.5	151.2	170.7	31.2	-32.5	0	0	0	110	L454 N455 K459 I632 V633 K634	L454-P461 HydrophobicContact CB-CG 4.37Å; L454-P461 WeakPolarHBondContact CB-O 3.36Å; L454-P461 HydrophobicContact CD1-CB 4.45Å; L454-P461 HydrophobicContact CD1-CG 4.31Å; L454-P461 PolarHBondContact N-O 3.4Å; N455-P461 WeakPolarHBondContact ND2-CD 3.42Å; K459-P461 VanDerWaalsContact O-CD 3.29Å; K459-P461 WeakPolarHBondContact O-CD 3.14Å; P461-I632 HydrophobicContact CB-CG2 4.01Å; P461-V633 WeakPolarHBondContact CA-O 3.39Å; P461-K634 HydrophobicContact CB-CG 3.98Å
462	Y	94.1	Very high	89.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.9	-178.2	66.2	-92.8	0	0	0	111.5	L397 L404 L417 V452 I464 I632 V633	L397-Y462 PolarHBondContact O-OH 3.33Å; L404-Y462 HydrophobicContact CD1-CD1 4.07Å; L417-Y462 HydrophobicContact CD1-CD2 3.6Å; L417-Y462 HydrophobicContact CD1-CE2 3.63Å; L417-Y462 HydrophobicContact CD1-CG 4.11Å; L417-Y462 HydrophobicContact CD2-CD2 3.67Å; L417-Y462 HydrophobicContact CD2-CG 3.86Å; L417-Y462 HydrophobicContact CG-CD2 4.29Å; V452-Y462 WeakPolarHBondContact O-CA 3.47Å; Y462-I464 HydrophobicContact CD2-CG2 3.65Å; Y462-I464 HydrophobicContact CE2-CG2 3.58Å; Y462-I632 WeakPolarHBondContact O-CA 3.39Å; Y462-V633 HydrophobicContact CD1-CB 4.41Å; Y462-V633 HydrophobicContact CD2-CB 4.49Å; Y462-V633 HydrophobicContact CD2-CG2 4.48Å; Y462-V633 HydrophobicContact CE1-CB 3.89Å; Y462-V633 HydrophobicContact CE1-CG1 4.22Å; Y462-V633 HydrophobicContact CE2-CB 3.99Å; Y462-V633 HydrophobicContact CE2-CG2 3.81Å; Y462-V633 PolarHBondContact N-O 2.8Å; Y462-V633 PolarHBondContact O-N 2.76Å
463	I	94	Very high	89.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.9	175.6	-170.2	168.1	0	0	0	109.8	A451 V452 L454 Y465 L603 I632 P682	A451-I463 WeakPolarHBondContact CA-O 3.49Å; V452-I463 HydrophobicContact CB-CG2 4.28Å; V452-I463 PolarHBondContact N-O 3.01Å; V452-I463 VanDerWaalsContact N-O 3.13Å; V452-I463 PolarHBondContact O-N 3.07Å; L454-I463 HydrophobicContact CD2-CB 4.28Å; L454-I463 HydrophobicContact CD2-CG2 3.93Å; I463-Y465 HydrophobicContact CD1-CE1 4.27Å; I463-L603 HydrophobicContact CD1-CD2 4.14Å; I463-I632 HydrophobicContact CB-CG1 4.12Å; I463-I632 HydrophobicContact CD1-CG1 4.41Å; I463-I632 HydrophobicContact CG1-CG1 4.19Å; I463-P682 HydrophobicContact CD1-CB 3.98Å; I463-P682 HydrophobicContact CD1-CG 3.99Å
464	I	95.7	Very high	89.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.7	168.3	64.1	178	0	0	0	110.1	L397 L421 A451 Y462 V466 S630 V631 V633	L397-I464 HydrophobicContact CD1-CD1 4.17Å; L397-I464 HydrophobicContact CD2-CD1 3.9Å; L421-I464 HydrophobicContact CD1-CG2 3.63Å; L421-I464 HydrophobicContact CD2-CG2 4.42Å; A451-I464 HydrophobicContact CB-CG2 4Å; Y462-I464 HydrophobicContact CD2-CG2 3.65Å; Y462-I464 HydrophobicContact CE2-CG2 3.58Å; I464-V466 HydrophobicContact CD1-CG2 3.93Å; I464-V466 HydrophobicContact CG1-CG2 3.96Å; I464-S630 WeakPolarHBondContact O-CA 3.32Å; I464-V631 HydrophobicContact CD1-CG1 3.86Å; I464-V631 HydrophobicContact CG1-CG1 3.49Å; I464-V631 VanDerWaalsContact CG1-CG1 3.49Å; I464-V631 PolarHBondContact N-O 2.91Å; I464-V631 PolarHBondContact O-N 2.93Å; I464-V633 HydrophobicContact CD1-CG2 4.41Å
465	Y	95.8	Very high	88.9	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.3	165.4	-56.8	-74.6	0	0	0	108.5	P447 Q450 I463 A602 W607 K610 L629	P447-Y465 VanDerWaalsContact CD-O 3.26Å; P447-Y465 WeakPolarHBondContact CD-O 3.25Å; Q450-Y465 HydrophobicContact CB-CD2 3.68Å; Q450-Y465 HydrophobicContact CB-CE2 4.25Å; Q450-Y465 WeakPolarHBondContact O-CD2 3.33Å; Q450-Y465 WeakPolarHBondContact O-CE2 3.42Å; I463-Y465 HydrophobicContact CD1-CE1 4.27Å; Y465-A602 PolarHBondContact OH-O 3.4Å; Y465-W607 HydrophobicContact CD1-CH2 4.3Å; Y465-W607 AromaticContact CD1-CZ3 3.74Å; Y465-W607 HydrophobicContact CD1-CZ3 3.74Å; Y465-W607 AromaticContact CE1-CZ3 3.73Å; Y465-W607 HydrophobicContact CE1-CZ3 3.73Å; Y465-K610 HydrophobicContact CD1-CD 4.2Å; Y465-K610 HydrophobicContact CE1-CD 3.64Å; Y465-K610 HydrophobicContact CE2-CD 4.09Å; Y465-K610 WeakPolarHBondContact OH-CE 3.48Å; Y465-L629 CarbonylContact C-O 3.53Å; Y465-L629 WeakPolarHBondContact CA-O 3.37Å
466	V	97	Very high	89.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	120.5	-171.7	-176.1	0	0	0	0	108.9	L434 V443 V446 I464 V468 L629	L434-V466 HydrophobicContact CD1-CB 3.92Å; L434-V466 HydrophobicContact CD1-CG1 4.15Å; L434-V466 HydrophobicContact CD1-CG2 3.95Å; V443-V466 HydrophobicContact CB-CG1 4.16Å; V443-V466 HydrophobicContact CG1-CG1 3.37Å; V443-V466 HydrophobicContact CG2-CG1 3.76Å; V446-V466 HydrophobicContact CG2-CG2 4.47Å; I464-V466 HydrophobicContact CD1-CG2 3.93Å; I464-V466 HydrophobicContact CG1-CG2 3.96Å; V466-V468 HydrophobicContact CG1-CG1 4.05Å; V466-L629 PolarHBondContact N-O 3.23Å; V466-L629 PolarHBondContact O-N 3.25Å
467	E	96.9	Very high	89.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.9	174.1	-58.5	-179.7	-128.3	0	0	109.7	C444 R445 P447 I614 S618 W626 L628	C444-E467 PolarHBondContact N-O 2.86Å; C444-E467 VanDerWaalsContact SG-C 3.58Å; C444-E467 PolarHBondContact SG-O 3.21Å; C444-E467 VanDerWaalsContact SG-O 3.33Å; R445-E467 HydrophobicContact CB-CB 4.1Å; R445-E467 HydrophobicContact CB-CG 4.29Å; R445-E467 VanDerWaalsContact CD-OE1 3.24Å; R445-E467 WeakPolarHBondContact CD-OE1 3.3Å; R445-E467 WeakPolarHBondContact CG-OE1 3.3Å; R445-E467 IonicContact CZ-OE1 3.72Å; R445-E467 PolarHBondContact N-O 2.77Å; R445-E467 IonicContact NE-OE1 2.85Å; R445-E467 IonicContact NH1-OE1 3.83Å; R445-E467 PolarHBondContact NH1-OE1 2.91Å; R445-E467 WeakPolarHBondContact O-CB 3.49Å; R445-E467 PolarHBondContact O-N 2.93Å; P447-E467 HydrophobicContact CG-CG 3.72Å; E467-I614 HydrophobicContact CG-CG2 4.5Å; E467-S618 VanDerWaalsContact OE2-CB 3.26Å; E467-S618 WeakPolarHBondContact OE2-CB 3.22Å; E467-S618 PolarHBondContact OE2-OG 2.89Å; E467-W626 HydrophobicContact CG-CZ2 4.01Å; E467-W626 PolarHBondContact OE2-NE1 3.21Å; E467-L628 HydrophobicContact CG-CD1 4.05Å
468	V	97	Very high	90.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151	-178.5	-51.5	0	0	0	0	111.2	H441 H442 V443 V466 R627 L629	H441-V468 HydrophobicContact CB-CB 4Å; H441-V468 HydrophobicContact CB-CG2 4.01Å; H441-V468 VanDerWaalsContact CD2-CG1 3.43Å; H441-V468 WeakPolarHBondContact CD2-CG1 3.5Å; H442-V468 WeakPolarHBondContact O-CA 3.38Å; V443-V468 HydrophobicContact CG2-CG1 4.05Å; V466-V468 HydrophobicContact CG1-CG1 4.05Å; V468-R627 HydrophobicContact CG2-CB 3.98Å; V468-R627 PolarHBondContact N-O 3.03Å; V468-R627 PolarHBondContact O-N 3.35Å; V468-L629 HydrophobicContact CG1-CD1 3.79Å; V468-L629 HydrophobicContact CG1-CG 4.2Å; V468-L629 HydrophobicContact CG2-CD1 3.97Å; V468-L629 HydrophobicContact CG2-CG 4Å
469	L	96.4	Very high	90.9	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.7	170	-62	-177.3	0	0	0	108.7	H441 H442 C444 P480 Y620 L623 N625 W626	H441-L469 CarbonylContact C-O 3.5Å; H441-L469 VanDerWaalsContact CA-O 3.26Å; H441-L469 WeakPolarHBondContact CA-O 3.43Å; H441-L469 WeakPolarHBondContact CB-O 3.28Å; H442-L469 PolarHBondContact N-O 3.24Å; H442-L469 PolarHBondContact O-N 3.29Å; C444-L469 HydrophobicContact CB-CD1 4.37Å; C444-L469 HydrophobicContact CB-CG 4.22Å; L469-P480 HydrophobicContact CB-CG 4.31Å; L469-P480 HydrophobicContact CD1-CB 3.74Å; L469-P480 HydrophobicContact CD1-CG 3.83Å; L469-Y620 HydrophobicContact CD1-CD1 4.28Å; L469-L623 HydrophobicContact CD1-CD1 3.76Å; L469-L623 HydrophobicContact CD2-CB 4.28Å; L469-L623 HydrophobicContact CD2-CD1 3.8Å; L469-L623 HydrophobicContact CG-CD1 4.47Å; L469-N625 WeakPolarHBondContact CA-O 3.37Å; L469-W626 HydrophobicContact CD2-CB 3.98Å; L469-W626 HydrophobicContact CD2-CG 4.48Å
470	E	95.3	Very high	91.3	Very high	63 Å²	63	35.2 Å²	35.2	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.3	-178.7	-166.2	172.3	141.5	0	0	111.6	H439 Q440 N625 R627	H439-E470 HydrophobicContact CB-CG 4.13Å; H439-E470 IonicContact CD2-OE1 3.68Å; H439-E470 PolarHBondContact CD2-OE1 3.45Å; H439-E470 VanDerWaalsContact CD2-OE1 3.3Å; H439-E470 IonicContact CD2-OE2 2.7Å; H439-E470 IonicContact CG-OE1 3.69Å; H439-E470 IonicContact CG-OE2 3Å; Q440-E470 WeakPolarHBondContact O-CG 3.41Å; E470-N625 HydrophobicContact CB-CB 4.32Å; E470-N625 PolarHBondContact N-O 3.17Å; E470-N625 PolarHBondContact O-ND2 3.49Å; E470-R627 WeakPolarHBondContact OE2-CD 3.37Å; E470-R627 IonicContact OE2-CZ 2.9Å; E470-R627 IonicContact OE2-NE 3.26Å; E470-R627 IonicContact OE2-NH1 3.05Å; E470-R627 PolarHBondContact OE2-NH1 2.85Å
471	C	92.3	Very high	91.5	Very high	19 Å²	19	40.8 Å²	40.8	13%	0.128	24%	0.239	C	C	.	.			trans	-149.4	138.4	-176.8	61.5	0	0	0	0	112.3	Q440 S473	Q440-C471 WeakPolarHBondContact CB-O 3.48Å; Q440-C471 PolarHBondContact O-N 2.78Å; Q440-C471 VanDerWaalsContact O-O 3.09Å; C471-S473 PolarHBondContact O-N 3.2Å; C471-S473 VanDerWaalsContact O-N 3.12Å
472	N	85.9	Confident	91.4	Very high	169 Å²	169	46.8 Å²	46.8	90%	0.904	26%	0.26	S	S	*	.	S	Bend	trans	-59.5	-28.5	-174.6	-57.5	0.7	0	0	0	114.1
473	S	86.6	Confident	91.1	Very high	37 Å²	37	48.2 Å²	48.2	26%	0.259	27%	0.267	S	S	.	.			trans	-150.5	121.3	172.6	170	0	0	0	0	110.2	C471 E475 T476 S477	C471-S473 PolarHBondContact O-N 3.2Å; C471-S473 VanDerWaalsContact O-N 3.12Å; S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.38Å; S473-E475 PolarHBondContact OG-N 3.37Å; S473-T476 WeakPolarHBondContact CB-OG1 3.27Å; S473-T476 PolarHBondContact OG-OG1 3.41Å; S473-S477 WeakPolarHBondContact O-CB 3.34Å; S473-S477 PolarHBondContact O-N 3.17Å; S473-S477 PolarHBondContact O-OG 3.27Å
474	F	88	Confident	90.3	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.5	178.9	179.7	-92.8	0	0	0	112.8	I254 R431 W433 Q440 H441 H442	I254-F474 HydrophobicContact CD1-CE1 4.15Å; I254-F474 HydrophobicContact CG2-CD1 3.94Å; I254-F474 HydrophobicContact CG2-CE1 4.42Å; R431-F474 HydrophobicContact CB-CZ 4.25Å; R431-F474 PolarHBondContact NH2-O 3Å; W433-F474 HydrophobicContact CB-CD2 4.49Å; W433-F474 HydrophobicContact CB-CE2 4.13Å; W433-F474 HydrophobicContact CD2-CE1 4.26Å; W433-F474 HydrophobicContact CD2-CE2 4.34Å; W433-F474 HydrophobicContact CD2-CZ 4.04Å; W433-F474 HydrophobicContact CE3-CD1 4.46Å; W433-F474 AromaticContact CE3-CE1 3.59Å; W433-F474 HydrophobicContact CE3-CE1 3.59Å; W433-F474 AromaticContact CE3-CE2 3.91Å; W433-F474 HydrophobicContact CE3-CE2 3.91Å; W433-F474 AromaticContact CE3-CZ 3.27Å; W433-F474 HydrophobicContact CE3-CZ 3.27Å; W433-F474 HydrophobicContact CG-CE2 4.48Å; W433-F474 HydrophobicContact CH2-CE1 4.28Å; W433-F474 AromaticContact CZ3-CE1 3.61Å; W433-F474 HydrophobicContact CZ3-CE1 3.61Å; W433-F474 AromaticContact CZ3-CZ 3.67Å; W433-F474 HydrophobicContact CZ3-CZ 3.67Å; Q440-F474 HydrophobicContact CB-CB 4.34Å; H441-F474 VanDerWaalsContact O-CD2 3.24Å; H441-F474 WeakPolarHBondContact O-CD2 3.38Å; H441-F474 WeakPolarHBondContact O-CE2 3.3Å; H442-F474 AromaticContact CD2-CE2 3.81Å; H442-F474 AromaticContact CE1-CD2 3.54Å; H442-F474 AromaticContact CE1-CE2 3.77Å; H442-F474 AromaticContact ND1-CD2 3.75Å; H442-F474 AromaticContact NE2-CD2 3.91Å; H442-F474 AromaticContact NE2-CE2 3.65Å
475	E	82.3	Confident	88.9	Confident	67 Å²	67	56.2 Å²	56.2	31%	0.313	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-35.4	-179.1	-64.8	-153.3	115.9	0	0	112.8	I254 R386 R431 S473	I254-E475 HydrophobicContact CB-CG 4.36Å; I254-E475 HydrophobicContact CG2-CG 3.97Å; R386-E475 IonicContact CZ-OE1 3.14Å; R386-E475 IonicContact NE-OE1 3.2Å; R386-E475 PolarHBondContact NE-OE1 3.15Å; R386-E475 VanDerWaalsContact NE-OE1 3.15Å; R386-E475 IonicContact NH2-OE1 2.75Å; R386-E475 PolarHBondContact NH2-OE1 3.06Å; R386-E475 IonicContact NH2-OE2 2.84Å; R431-E475 PolarHBondContact NH2-O 2.99Å; S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.38Å; S473-E475 PolarHBondContact OG-N 3.37Å
476	T	85.2	Confident	87.1	Confident	118 Å²	118	61.2 Å²	61.2	72%	0.724	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-22.9	-178.8	59.9	0	0	0	0	114.1	S473	S473-T476 WeakPolarHBondContact CB-OG1 3.27Å; S473-T476 PolarHBondContact OG-OG1 3.41Å
477	S	88.4	Confident	85	Confident	28 Å²	28	69.3 Å²	69.3	20%	0.196	37%	0.372	C	S	.	.	S	Bend	trans	-71.2	140.4	179.9	-58.4	0	0	0	0	111.8	R431 S473	R431-S477 PolarHBondContact NH2-O 3.07Å; S473-S477 WeakPolarHBondContact O-CB 3.34Å; S473-S477 PolarHBondContact O-N 3.17Å; S473-S477 PolarHBondContact O-OG 3.27Å
478	P	87.8	Confident	82.9	Confident	113 Å²	113	71.9 Å²	71.9	73%	0.734	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-70.5	155.4	172.3	31	-35.1	0	0	0	111.2
479	V	90.6	Very high	80.6	Confident	54 Å²	54	81.6 Å²	81.6	33%	0.327	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-65	133.5	172.1	179.8	0	0	0	0	109.4	P429 R431	P429-V479 HydrophobicContact CB-CG1 4.09Å; R431-V479 HydrophobicContact CB-CG2 4.38Å; R431-V479 HydrophobicContact CG-CG2 3.33Å
480	P	90.9	Very high	77.9	Confident	28 Å²	28	85.5 Å²	85.5	18%	0.182	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-57	141.6	175	-26.4	34.9	0	0	0	113.2	P429 H442 L469	P429-P480 HydrophobicContact CB-CB 4.19Å; P429-P480 WeakPolarHBondContact CB-O 3.23Å; P429-P480 HydrophobicContact CG-CB 4.22Å; P429-P480 WeakPolarHBondContact CG-O 3.1Å; H442-P480 HydrophobicContact CB-CG 3.9Å; L469-P480 HydrophobicContact CB-CG 4.31Å; L469-P480 HydrophobicContact CD1-CB 3.74Å; L469-P480 HydrophobicContact CD1-CG 3.83Å
481	T	89.2	Confident	75.5	Confident	122 Å²	122	84.7 Å²	84.7	75%	0.748	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-73.7	141	176.3	48.8	0	0	0	0	111.1	I483	T481-I483 PolarHBondContact O-N 3.41Å
482	R	90	Very high	73.2	Confident	140 Å²	140	92 Å²	92	53%	0.528	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-72.8	119.7	-178.6	-172.1	173.8	177.1	-171.6	-7.1	111	L428 P484 Y620	L428-R482 WeakPolarHBondContact O-CD 3.38Å; R482-P484 WeakPolarHBondContact O-CD 3.05Å; R482-Y620 WeakPolarHBondContact CA-OH 3.42Å
483	I	88	Confident	71	Confident	30 Å²	30	88.7 Å²	88.7	15%	0.154	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-86.9	121.7	175.1	-58.9	178.7	0	0	0	109	T481 P619 Y620	T481-I483 PolarHBondContact O-N 3.41Å; I483-P619 HydrophobicContact CB-CB 4.03Å; I483-P619 WeakPolarHBondContact CD1-O 3.41Å; I483-P619 HydrophobicContact CG2-CB 3.93Å; I483-Y620 HydrophobicContact CB-CE1 4.04Å; I483-Y620 HydrophobicContact CD1-CD1 3.72Å; I483-Y620 HydrophobicContact CD1-CE1 3.9Å; I483-Y620 HydrophobicContact CG1-CD1 4.11Å; I483-Y620 HydrophobicContact CG1-CE1 3.74Å; I483-Y620 PolarHBondContact N-OH 3.46Å
484	P	76.3	Confident	68.7	Low	62 Å²	62	90.2 Å²	90.2	40%	0.403	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-69.1	131.1	176.8	-19.7	33.2	0	0	0	111.8	R482 T486 R487	R482-P484 WeakPolarHBondContact O-CD 3.05Å; P484-T486 PolarHBondContact O-N 3.01Å; P484-T486 VanDerWaalsContact O-N 3.09Å; P484-R487 WeakPolarHBondContact O-CB 3.35Å; P484-R487 PolarHBondContact O-N 2.89Å
485	E	66.5	Low	66.5	Low	108 Å²	108	97.9 Å²	97.9	51%	0.505	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.1	-177.1	-52.1	-165.4	131.4	0	0	113.2	R445 R487 P619	R445-E485 IonicContact CZ-OE1 3.64Å; R445-E485 VanDerWaalsContact CZ-OE1 3.25Å; R445-E485 IonicContact NE-OE1 3.63Å; R445-E485 PolarHBondContact NE-OE1 3.41Å; R445-E485 IonicContact NH2-OE1 2.65Å; R445-E485 PolarHBondContact NH2-OE1 2.8Å; E485-R487 VanDerWaalsContact C-N 3.33Å; E485-R487 PolarHBondContact O-N 3.05Å; E485-P619 HydrophobicContact CB-CG 4.48Å; E485-P619 HydrophobicContact CG-CG 3.84Å
486	T	57.7	Low	64.3	Low	109 Å²	109	101.6 Å²	101.6	67%	0.669	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.4	174.3	49.1	0	0	0	0	113.6	P484 I488 R489	P484-T486 PolarHBondContact O-N 3.01Å; P484-T486 VanDerWaalsContact O-N 3.09Å; T486-I488 VanDerWaalsContact C-N 3.25Å; T486-I488 PolarHBondContact O-N 3.12Å; T486-R489 PolarHBondContact O-N 2.96Å
487	R	54	Low	62.1	Low	170 Å²	170	103.5 Å²	103.5	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-63	-30.8	-174.3	-174.7	177.8	-74.1	177.8	-3.6	112.9	P484 E485 R489 S490 A491	P484-R487 WeakPolarHBondContact O-CB 3.35Å; P484-R487 PolarHBondContact O-N 2.89Å; E485-R487 VanDerWaalsContact C-N 3.33Å; E485-R487 PolarHBondContact O-N 3.05Å; R487-R489 VanDerWaalsContact C-N 3.29Å; R487-R489 PolarHBondContact O-N 3.11Å; R487-S490 PolarHBondContact O-N 3.39Å; R487-A491 PolarHBondContact O-N 2.85Å
488	I	51.8	Low	59.2	Low	53 Å²	53	109.9 Å²	109.9	27%	0.272	58%	0.578	S	S	.	*	H	α-helix	trans	-64.4	-34.4	-177.5	-46	173.9	0	0	0	111.4	T486 S490 A491 R492 P619	T486-I488 VanDerWaalsContact C-N 3.25Å; T486-I488 PolarHBondContact O-N 3.12Å; I488-S490 VanDerWaalsContact C-N 3.34Å; I488-S490 PolarHBondContact O-N 3.33Å; I488-A491 PolarHBondContact O-N 3.2Å; I488-R492 PolarHBondContact O-N 3.08Å; I488-P619 HydrophobicContact CD1-CB 4.15Å; I488-P619 HydrophobicContact CD1-CG 4.06Å
489	R	49	Very low	56.4	Low	208 Å²	208	110.9 Å²	110.9	79%	0.785	59%	0.586	S	S	*	*	H	α-helix	trans	-68.4	-32	-176.9	-63.8	-169.5	-175.8	-166.2	1.6	112.7	T486 R487	T486-R489 PolarHBondContact O-N 2.96Å; R487-R489 VanDerWaalsContact C-N 3.29Å; R487-R489 PolarHBondContact O-N 3.11Å
490	S	41.3	Very low	53.6	Low	91 Å²	91	111.5 Å²	111.5	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-78.7	-34.8	177.7	-57.9	0	0	0	0	113.1	R487 I488 S493	R487-S490 PolarHBondContact O-N 3.39Å; I488-S490 VanDerWaalsContact C-N 3.34Å; I488-S490 PolarHBondContact O-N 3.33Å; S490-S493 PolarHBondContact O-N 3.43Å
491	A	42.8	Very low	50.7	Low	46 Å²	46	116.6 Å²	116.6	38%	0.38	63%	0.634	S	S	.	*	H	α-helix	trans	-61.6	-45.1	178.5	0	0	0	0	0	111.8	R487 I488 S493 A494 E495	R487-A491 PolarHBondContact O-N 2.85Å; I488-A491 PolarHBondContact O-N 3.2Å; A491-S493 PolarHBondContact O-N 2.79Å; A491-A494 PolarHBondContact O-N 2.99Å; A491-E495 PolarHBondContact O-N 3.32Å
492	R	45.8	Very low	48.1	Very low	174 Å²	174	117 Å²	117	66%	0.657	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-11.6	178.4	-69.5	-172.1	178.8	-172.1	1	115	I488 E616	I488-R492 PolarHBondContact O-N 3.08Å; R492-E616 PolarHBondContact NH2-O 3.13Å; R492-E616 VanDerWaalsContact NH2-O 3.16Å
493	S	37.9	Very low	45.2	Very low	98 Å²	98	113.8 Å²	113.8	69%	0.685	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-9	174.4	-58.8	0	0	0	0	113.8	S490 A491	S490-S493 PolarHBondContact O-N 3.43Å; A491-S493 PolarHBondContact O-N 2.79Å
494	A	38.8	Very low	42.4	Very low	70 Å²	70	120.8 Å²	120.8	58%	0.579	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-35.5	-178.2	0	0	0	0	0	112.7	A491 N496	A491-A494 PolarHBondContact O-N 2.99Å; A494-N496 PolarHBondContact O-N 2.93Å
495	E	41.7	Very low	40.1	Very low	167 Å²	167	121 Å²	121	78%	0.78	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	13.8	-172.3	-62.8	178.4	134.3	0	0	114.6	A491	A491-E495 PolarHBondContact O-N 3.32Å
496	N	36.8	Very low	38.3	Very low	145 Å²	145	121.1 Å²	121.1	78%	0.775	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	11.1	-176.7	-129.2	8.6	0	0	0	113.8	A494	A494-N496 PolarHBondContact O-N 2.93Å
497	L	37.9	Very low	36.8	Very low	157 Å²	157	120.9 Å²	120.9	82%	0.822	72%	0.715	S	S	*	*	S	Bend	trans	-140.7	62.3	175.6	-75.9	177.9	0	0	0	111.8
498	D	28.4	Very low	35.6	Very low	162 Å²	162	120.3 Å²	120.3	87%	0.866	72%	0.722	S	S	*	*			trans	-160.7	118.5	142.1	-123.2	-26.1	0	0	0	113
499	C	29.4	Very low	34.5	Very low	135 Å²	135	123.7 Å²	123.7	91%	0.912	75%	0.745	S	S	*	*			trans	-148.8	58.7	167.5	-163.1	0	0	0	0	109.4
500	G	30.4	Very low	33.5	Very low	66 Å²	66	118.2 Å²	118.2	68%	0.68	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-82.2	133.4	175.6	0	0	0	0	0	112.8
501	T	30	Very low	32.8	Very low	135 Å²	135	121 Å²	121	83%	0.828	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.5	177.8	-46.1	0	0	0	0	112.2
502	P	35.2	Very low	32.2	Very low	131 Å²	131	126.9 Å²	126.9	85%	0.851	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.2	-175.7	26.6	-36	0	0	0	113.7
503	G	28.9	Very low	31.3	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	77%	0.774	S	S	*	*			trans	-153.2	90.8	-179.4	0	0	0	0	0	114.8
504	N	30.1	Very low	31	Very low	178 Å²	178	130.3 Å²	130.3	95%	0.952	78%	0.78	S	S	*	*			trans	40.5	113.2	144.9	-145.5	33.2	0	0	0	120.5
505	G	28	Very low	30.4	Very low	65 Å²	65	130.5 Å²	130.5	67%	0.67	79%	0.789	S	S	*	*			trans	143.5	96.6	151.2	0	0	0	0	0	120.2
506	S	28.5	Very low	29.8	Very low	112 Å²	112	128 Å²	128	78%	0.783	79%	0.79	S	S	*	*			trans	41.9	123.3	138.8	59.8	0	0	0	0	123.9
507	S	26.5	Very low	29.3	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	79%	0.79	S	S	*	*			trans	77.8	117.7	130.1	-73	0	0	0	0	124.2
508	M	28.6	Very low	28.8	Very low	159 Å²	159	127.8 Å²	127.8	78%	0.783	79%	0.791	S	S	*	*				87.5	117.6	126.9	-62.8	-63.3	170.2	0	0	123.7
509	T	28.8	Very low	28.8	Very low	124 Å²	124	124 Å²	124	76%	0.761	77%	0.773	S	S	*	*			trans	71	130.6	131.5	57.9	0	0	0	0	124.9
510	S	27.3	Very low	28.7	Very low	93 Å²	93	123.8 Å²	123.8	65%	0.65	77%	0.768	S	S	*	*			trans	56	114.8	141.3	-87.3	0	0	0	0	123.9
511	E	27.6	Very low	29.3	Very low	150 Å²	150	125.6 Å²	125.6	70%	0.701	77%	0.767	S	S	*	*				71.6	155.1	118.3	-68.3	174.9	110.8	0	0	123.5
512	H	28.4	Very low	29.3	Very low	168 Å²	168	124.8 Å²	124.8	78%	0.778	76%	0.758	S	S	*	*			trans	74	102.6	150.6	-72.7	-15.1	0	0	0	120.6
513	R	27.1	Very low	29.2	Very low	245 Å²	245	127.8 Å²	127.8	93%	0.925	75%	0.754	S	S	*	*				125.3	142.6	102.4	-170.1	169.8	-174.8	151.8	0.5	115
514	A	31.3	Very low	29.3	Very low	99 Å²	99	130.9 Å²	130.9	82%	0.818	75%	0.753	S	S	*	*			trans	-96	149.5	177.5	0	0	0	0	0	113
515	G	27.5	Very low	29.5	Very low	75 Å²	75	128.3 Å²	128.3	77%	0.773	74%	0.74	S	S	*	*			trans	162.9	138.7	167.3	0	0	0	0	0	109.6
516	S	28.8	Very low	30	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	74%	0.742	S	S	*	*			cis	156.1	119.4	-13.9	163.4	0	0	0	0	104.8
517	F	27.1	Very low	30.3	Very low	179 Å²	179	133.2 Å²	133.2	79%	0.785	74%	0.742	S	S	*	*			trans	69.5	117.5	151.7	-158.6	-91.4	0	0	0	120.4	T519	F517-T519 WeakPolarHBondContact CE1-OG1 3.22Å; F517-T519 WeakPolarHBondContact CE2-OG1 3.28Å; F517-T519 WeakPolarHBondContact CZ-OG1 3.37Å
518	S	26	Very low	30.8	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	74%	0.744	S	S	*	*			trans	-150.1	168.1	136.2	-166	0	0	0	0	108.6
519	T	29.3	Very low	30.9	Very low	82 Å²	82	130.4 Å²	130.4	50%	0.503	73%	0.73	S	S	.	*			trans	-156.5	156.7	-160.5	-46.5	0	0	0	0	113.5	F517	F517-T519 WeakPolarHBondContact CE1-OG1 3.22Å; F517-T519 WeakPolarHBondContact CE2-OG1 3.28Å; F517-T519 WeakPolarHBondContact CZ-OG1 3.37Å
520	V	27.2	Very low	31	Very low	131 Å²	131	136 Å²	136	79%	0.794	74%	0.737	S	S	*	*			trans	63.3	159.4	164.2	-88.3	0	0	0	0	119.7
521	P	42.4	Very low	31.2	Very low	104 Å²	104	135.3 Å²	135.3	68%	0.675	74%	0.737	S	S	*	*			cis	-142.1	167	-20.7	35.6	-16.5	0	0	0	118.1
522	N	30.9	Very low	31.3	Very low	119 Å²	119	133.5 Å²	133.5	64%	0.636	74%	0.737	S	S	*	*			trans	73.9	152.9	135.9	-92.9	45.5	0	0	0	126.8
523	Y	32.5	Very low	31.5	Very low	194 Å²	194	132.7 Å²	132.7	76%	0.761	74%	0.738	S	S	*	*			trans	67.8	143.4	161.3	-59.4	-54.6	0	0	0	116.4
524	D	32.3	Very low	31.7	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	73%	0.73	S	S	*	*			cis	-146.4	141.4	-3.7	-108.7	-33.5	0	0	0	107.5
525	N	33.4	Very low	31.9	Very low	124 Å²	124	130.9 Å²	130.9	66%	0.663	73%	0.731	S	S	*	*				80.8	156.8	91.2	-164.7	60.8	0	0	0	115.2
526	D	37.9	Very low	31.9	Very low	137 Å²	137	131 Å²	131	73%	0.733	73%	0.733	S	S	*	*			trans	67.6	118.6	-177	-54.5	-36.8	0	0	0	114.9
527	D	35.4	Very low	32	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	74%	0.737	S	S	*	*			cis	107.5	132.6	14.7	-158.5	29.1	0	0	0	114.4
528	D	36.3	Very low	32.1	Very low	146 Å²	146	133.7 Å²	133.7	78%	0.781	74%	0.739	S	S	*	*			trans	49.1	167.9	178.1	-88.8	-8.6	0	0	0	120.3
529	A	32.3	Very low	32.1	Very low	58 Å²	58	135.8 Å²	135.8	48%	0.479	74%	0.736	S	S	.	*			cis	-171.1	165.8	-46.7	0	0	0	0	0	111
530	W	29.5	Very low	32.2	Very low	242 Å²	242	138.3 Å²	138.3	92%	0.917	75%	0.751	S	S	*	*			trans	65.5	163.4	171.9	-46.7	96.7	0	0	0	115.3
531	A	32.3	Very low	32.1	Very low	78 Å²	78	141.6 Å²	141.6	65%	0.645	76%	0.757	S	S	*	*			cis	-149.7	134.9	-11.1	0	0	0	0	0	106.6
532	T	30.3	Very low	31.4	Very low	112 Å²	112	139.5 Å²	139.5	69%	0.687	76%	0.755	S	S	*	*				44.6	113.1	92.4	54.1	0	0	0	0	118.1
533	D	32.5	Very low	31.1	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	77%	0.77	S	S	*	*			trans	83.3	162.7	138.4	-57.4	-32.6	0	0	0	123.7
534	D	31.8	Very low	30.8	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	77%	0.767	S	S	*	*			trans	70.8	88.8	170.3	-67.8	-17.6	0	0	0	122.5
535	I	33.7	Very low	30.5	Very low	164 Å²	164	140.6 Å²	140.6	84%	0.841	77%	0.773	S	S	*	*				29	117.5	112.2	-55	174.5	0	0	0	117
536	G	28.4	Very low	30.2	Very low	78 Å²	78	140.1 Å²	140.1	80%	0.804	78%	0.775	S	S	*	*			trans	-148.8	138.1	164.3	0	0	0	0	0	112.3
537	Q	30.8	Very low	29.6	Very low	187 Å²	187	138.7 Å²	138.7	87%	0.874	78%	0.776	S	S	*	*			trans	-86.2	153.7	175.8	-64.9	171.7	-46.8	0	0	111.6
538	L	29.2	Very low	29.3	Very low	160 Å²	160	136.9 Å²	136.9	84%	0.838	77%	0.774	S	S	*	*			trans	154.4	147.6	145.1	-84.1	158.5	0	0	0	107.5
539	Q	25.6	Very low	29.2	Very low	164 Å²	164	134.1 Å²	134.1	77%	0.766	77%	0.767	S	S	*	*			cis	164.8	113.2	-27.9	166	167.4	-17.2	0	0	104.4
540	V	31.7	Very low	29.3	Very low	134 Å²	134	137.9 Å²	137.9	81%	0.812	78%	0.778	S	S	*	*			trans	16.2	114.3	157.4	-172.7	0	0	0	0	119.2
541	E	24.9	Very low	29.4	Very low	200 Å²	200	134.1 Å²	134.1	94%	0.935	78%	0.776	S	S	*	*			trans	-176.5	157.5	130.8	-100	163.6	-160.6	0	0	107
542	G	27.3	Very low	29.4	Very low	61 Å²	61	137.5 Å²	137.5	63%	0.629	78%	0.782	S	S	*	*			cis	172.6	162.6	-2.6	0	0	0	0	0	109.6
543	E	24.6	Very low	29.7	Very low	202 Å²	202	137.1 Å²	137.1	94%	0.944	78%	0.784	S	S	*	*			trans	66.7	171.3	171.6	-48.8	-166.5	141.7	0	0	119.1
544	A	26.9	Very low	29.7	Very low	84 Å²	84	136.6 Å²	136.6	69%	0.694	78%	0.777	S	S	*	*				-164.5	170.4	-82.2	0	0	0	0	0	113.1
545	Q	25.6	Very low	29.7	Very low	185 Å²	185	138.5 Å²	138.5	86%	0.864	78%	0.778	S	S	*	*			trans	72.1	157.6	168.7	-37.4	-174.7	9	0	0	115.6
546	T	27	Very low	29.7	Very low	114 Å²	114	136 Å²	136	70%	0.699	78%	0.776	S	S	*	*			cis	-140.8	150.7	9.9	52.8	0	0	0	0	113.6
547	S	25.9	Very low	29.9	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	78%	0.776	S	S	*	*			trans	12.1	148.4	149.2	62.4	0	0	0	0	122.2
548	S	29.5	Very low	29.9	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	77%	0.774	S	S	*	*				-171.1	139.3	54.6	56.2	0	0	0	0	117.9
549	S	32.8	Very low	30.1	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	77%	0.77	S	S	*	*			trans	39	115.8	141.5	61.7	0	0	0	0	124.4
550	D	34.5	Very low	30.4	Very low	136 Å²	136	135 Å²	135	73%	0.727	78%	0.775	S	S	*	*				70.5	146	121.6	-50.3	-39	0	0	0	121.2
551	N	33	Very low	30.5	Very low	163 Å²	163	135 Å²	135	87%	0.872	78%	0.776	S	S	*	*			cis	-148.9	174.3	44.1	-73.1	-100.2	0	0	0	115
552	I	31.2	Very low	30.8	Very low	150 Å²	150	131.6 Å²	131.6	77%	0.769	77%	0.774	S	S	*	*			trans	-107.7	148.8	-166.8	-80.1	170.2	0	0	0	115.2	Q554	I552-Q554 HydrophobicContact CG2-CG 4.15Å
553	S	36.6	Very low	31.3	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	79%	0.789	S	S	*	*			trans	-163	120.8	144.4	-166.9	0	0	0	0	107.9
554	Q	33.3	Very low	31.6	Very low	138 Å²	138	137 Å²	137	65%	0.645	79%	0.788	S	S	*	*				54	126.7	67.7	-59	-170.7	1.2	0	0	112.6	I552	I552-Q554 HydrophobicContact CG2-CG 4.15Å
555	F	30.9	Very low	31.9	Very low	183 Å²	183	138.5 Å²	138.5	80%	0.803	79%	0.793	S	S	*	*			cis	-129.4	177.3	10.3	-67.5	-102.2	0	0	0	110.1
556	S	34	Very low	32.3	Very low	113 Å²	113	139.5 Å²	139.5	79%	0.79	80%	0.795	S	S	*	*			cis	-142.9	167.5	14.9	-57.8	0	0	0	0	111.8
557	V	32.3	Very low	32.5	Very low	131 Å²	131	142.3 Å²	142.3	79%	0.794	80%	0.8	S	S	*	*			trans	-129.8	152.5	172.3	-68.2	0	0	0	0	111.1
558	D	31.7	Very low	32.8	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	80%	0.799	S	S	*	*			trans	160.1	134	149	-83.9	-17.4	0	0	0	107.4
559	S	32.7	Very low	33.2	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	80%	0.8	S	S	*	*			cis	-139.2	157.5	19.1	-53.7	0	0	0	0	112.5
560	I	32.5	Very low	33.5	Very low	169 Å²	169	148.6 Å²	148.6	87%	0.867	81%	0.811	S	S	*	*			trans	-135.7	139.4	163.9	48.4	167.8	0	0	0	111
561	T	33.3	Very low	34.1	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	80%	0.796	S	S	*	*			trans	-143	88.8	172.9	54.5	0	0	0	0	112
562	S	30.5	Very low	35.2	Very low	129 Å²	129	140.5 Å²	140.5	90%	0.902	77%	0.774	S	S	*	*			trans	-177.4	145.8	138.5	-81.8	0	0	0	0	110.1
563	L	37.6	Very low	36	Very low	178 Å²	178	136.4 Å²	136.4	93%	0.932	76%	0.763	S	S	*	*			trans	-107.1	114.8	-179.3	-76.1	159.8	0	0	0	109.9
564	E	31.4	Very low	36.9	Very low	200 Å²	200	133.3 Å²	133.3	94%	0.935	75%	0.747	S	S	*	*			trans	-149.1	137.4	142.6	-138.1	177.7	155	0	0	110.3
565	S	34.3	Very low	37.9	Very low	115 Å²	115	129 Å²	129	80%	0.804	73%	0.728	S	S	*	*			trans	-103.7	109.6	-161.2	56.6	0	0	0	0	113.1
566	K	33.7	Very low	39.1	Very low	205 Å²	205	124.3 Å²	124.3	89%	0.891	71%	0.711	S	S	*	*			trans	-144.9	122.3	157.8	-105.2	166.5	-176	171.3	0	110.6
567	E	30.4	Very low	40.2	Very low	173 Å²	173	127.1 Å²	127.1	81%	0.808	70%	0.704	S	S	*	*			trans	17	122.6	167.3	-63.1	176	171.8	0	0	119.7	V569	E567-V569 PolarHBondContact O-N 3.44Å
568	P	33.6	Very low	41.3	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	69%	0.687	S	S	*	*			trans	-69.5	115.1	172.6	29.9	-33.3	0	0	0	110.6	F570	P568-F570 WeakPolarHBondContact O-CD2 3.36Å; P568-F570 PolarHBondContact O-N 2.83Å
569	V	37.5	Very low	42.4	Very low	126 Å²	126	125 Å²	125	76%	0.764	67%	0.671	S	S	*	*			trans	-66.4	107.5	176.3	-179.9	0	0	0	0	109.7	E567 I571	E567-V569 PolarHBondContact O-N 3.44Å; V569-I571 VanDerWaalsContact C-N 3.31Å; V569-I571 HydrophobicContact CG1-CG1 4.06Å; V569-I571 PolarHBondContact O-N 3.3Å
570	F	38.2	Very low	43.2	Very low	195 Å²	195	124.9 Å²	124.9	86%	0.855	66%	0.661	S	S	*	*			trans	-69.1	85.2	171.4	-84.3	-94	0	0	0	110.5	P568 A572	P568-F570 WeakPolarHBondContact O-CD2 3.36Å; P568-F570 PolarHBondContact O-N 2.83Å; F570-A572 PolarHBondContact O-N 3.27Å
571	I	47.6	Very low	44	Very low	79 Å²	79	120 Å²	120	41%	0.405	64%	0.641	S	S	.	*			trans	-71.4	110.1	170.4	-51	173	0	0	0	107.5	V569 D575 I576	V569-I571 VanDerWaalsContact C-N 3.31Å; V569-I571 HydrophobicContact CG1-CG1 4.06Å; V569-I571 PolarHBondContact O-N 3.3Å; I571-D575 HydrophobicContact CG2-CB 3.74Å; I571-I576 HydrophobicContact CB-CG1 4.4Å; I571-I576 HydrophobicContact CG2-CD1 4.44Å; I571-I576 HydrophobicContact CG2-CG1 3.61Å
572	A	56.9	Low	44.5	Very low	50 Å²	50	117.7 Å²	117.7	41%	0.413	62%	0.621	S	S	.	*			trans	-64.3	151.1	179.4	0	0	0	0	0	110.8	F570 G574 D575 I576	F570-A572 PolarHBondContact O-N 3.27Å; A572-G574 PolarHBondContact O-N 3.43Å; A572-D575 WeakPolarHBondContact CB-OD2 3.24Å; A572-D575 WeakPolarHBondContact O-CA 3.4Å; A572-D575 PolarHBondContact O-N 2.89Å; A572-I576 PolarHBondContact O-N 3.08Å
573	A	47	Very low	44.7	Very low	65 Å²	65	116.5 Å²	116.5	54%	0.537	61%	0.605	S	S	.	*	H	α-helix	trans	-60.9	-14.1	170.9	0	0	0	0	0	112.8	R577	A573-R577 WeakPolarHBondContact O-CB 3.49Å; A573-R577 WeakPolarHBondContact O-CG 3.44Å; A573-R577 PolarHBondContact O-N 3.05Å; A573-R577 PolarHBondContact O-NE 3.41Å; A573-R577 PolarHBondContact O-NH2 3.48Å
574	G	54.8	Low	44.8	Very low	38 Å²	38	115.1 Å²	115.1	39%	0.392	60%	0.597	S	S	.	*	H	α-helix	trans	-69.7	-47.1	164.4	0	0	0	0	0	112.9	A572 R577 R578	A572-G574 PolarHBondContact O-N 3.43Å; G574-R577 PolarHBondContact O-N 2.9Å; G574-R578 WeakPolarHBondContact O-CB 3.45Å; G574-R578 PolarHBondContact O-N 3.05Å
575	D	54.8	Low	45	Very low	47 Å²	47	109 Å²	109	25%	0.251	58%	0.581	S	S	.	*	H	α-helix	trans	-70.3	-34.3	177.4	-63.9	-66.3	0	0	0	113.1	I571 A572 R578 R579	I571-D575 HydrophobicContact CG2-CB 3.74Å; A572-D575 WeakPolarHBondContact CB-OD2 3.24Å; A572-D575 WeakPolarHBondContact O-CA 3.4Å; A572-D575 PolarHBondContact O-N 2.89Å; D575-R578 PolarHBondContact O-N 3.03Å; D575-R578 IonicContact OD1-CZ 2.87Å; D575-R578 IonicContact OD1-NH1 2.72Å; D575-R578 PolarHBondContact OD1-NH1 3.5Å; D575-R578 IonicContact OD1-NH2 3.15Å; D575-R578 PolarHBondContact OD1-NH2 3.34Å; D575-R579 WeakPolarHBondContact O-CB 3.45Å; D575-R579 WeakPolarHBondContact O-CG 3.47Å; D575-R579 PolarHBondContact O-N 2.9Å
576	I	56.8	Low	45.1	Very low	85 Å²	85	110.7 Å²	110.7	44%	0.436	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-46.3	172.7	-58.4	179.4	0	0	0	109.6	I571 A572 R579 L580	I571-I576 HydrophobicContact CB-CG1 4.4Å; I571-I576 HydrophobicContact CG2-CD1 4.44Å; I571-I576 HydrophobicContact CG2-CG1 3.61Å; A572-I576 PolarHBondContact O-N 3.08Å; I576-R579 PolarHBondContact O-N 2.9Å; I576-L580 HydrophobicContact CG2-CD1 3.97Å; I576-L580 WeakPolarHBondContact O-CB 3.41Å; I576-L580 VanDerWaalsContact O-CG 3.32Å; I576-L580 WeakPolarHBondContact O-CG 3.45Å; I576-L580 PolarHBondContact O-N 3.33Å
577	R	56.3	Low	44.9	Very low	173 Å²	173	104.2 Å²	104.2	65%	0.653	55%	0.554	S	S	*	*	H	α-helix	trans	-63	-42.1	173.5	-82.2	176.9	-68	-179.7	1.8	112	A573 G574 L580 S581	A573-R577 WeakPolarHBondContact O-CB 3.49Å; A573-R577 WeakPolarHBondContact O-CG 3.44Å; A573-R577 PolarHBondContact O-N 3.05Å; A573-R577 PolarHBondContact O-NE 3.41Å; A573-R577 PolarHBondContact O-NH2 3.48Å; G574-R577 PolarHBondContact O-N 2.9Å; R577-L580 PolarHBondContact O-N 3.42Å; R577-S581 WeakPolarHBondContact O-CB 3.27Å; R577-S581 PolarHBondContact O-N 3.45Å; R577-S581 PolarHBondContact O-OG 2.82Å
578	R	56.8	Low	45.4	Very low	114 Å²	114	100.2 Å²	100.2	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-61.9	-48.8	178.2	-159.9	-176.9	59.2	-101.5	-8.1	110.6	G574 D575 L580 S581 E582	G574-R578 WeakPolarHBondContact O-CB 3.45Å; G574-R578 PolarHBondContact O-N 3.05Å; D575-R578 PolarHBondContact O-N 3.03Å; D575-R578 IonicContact OD1-CZ 2.87Å; D575-R578 IonicContact OD1-NH1 2.72Å; D575-R578 PolarHBondContact OD1-NH1 3.5Å; D575-R578 IonicContact OD1-NH2 3.15Å; D575-R578 PolarHBondContact OD1-NH2 3.34Å; R578-L580 PolarHBondContact O-N 3.14Å; R578-S581 WeakPolarHBondContact CA-OG 3.48Å; R578-S581 CarbonylContact O-C 3.33Å; R578-S581 PolarHBondContact O-N 2.83Å; R578-S581 VanDerWaalsContact O-N 3.15Å; R578-S581 PolarHBondContact O-OG 3.28Å; R578-E582 VanDerWaalsContact CD-OE1 3.31Å; R578-E582 WeakPolarHBondContact CD-OE1 3.48Å; R578-E582 HydrophobicContact CG-CG 4.26Å; R578-E582 WeakPolarHBondContact CG-OE1 3.06Å; R578-E582 IonicContact NE-OE1 2.66Å; R578-E582 PolarHBondContact NE-OE1 3.13Å; R578-E582 VanDerWaalsContact NE-OE1 3.11Å; R578-E582 WeakPolarHBondContact O-CB 3.48Å; R578-E582 WeakPolarHBondContact O-CG 3.46Å; R578-E582 PolarHBondContact O-N 3.23Å
579	R	53.6	Low	45.8	Very low	129 Å²	129	97.1 Å²	97.1	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-37.1	176.2	-72.5	175.2	-178.9	164.5	2.5	113.4	D575 I576 E582 N583	D575-R579 WeakPolarHBondContact O-CB 3.45Å; D575-R579 WeakPolarHBondContact O-CG 3.47Å; D575-R579 PolarHBondContact O-N 2.9Å; I576-R579 PolarHBondContact O-N 2.9Å; R579-E582 WeakPolarHBondContact CA-OE2 3.45Å; R579-E582 PolarHBondContact O-N 2.7Å; R579-N583 WeakPolarHBondContact O-CB 3.25Å; R579-N583 PolarHBondContact O-N 2.76Å; R579-N583 PolarHBondContact O-ND2 3.37Å
580	L	50.2	Low	45.9	Very low	107 Å²	107	96.5 Å²	96.5	56%	0.56	52%	0.519	S	S	*	.	H	α-helix	trans	-67.9	-39.8	172.8	-76	170.3	0	0	0	111.9	I576 R577 R578 N583 L584	I576-L580 HydrophobicContact CG2-CD1 3.97Å; I576-L580 WeakPolarHBondContact O-CB 3.41Å; I576-L580 VanDerWaalsContact O-CG 3.32Å; I576-L580 WeakPolarHBondContact O-CG 3.45Å; I576-L580 PolarHBondContact O-N 3.33Å; R577-L580 PolarHBondContact O-N 3.42Å; R578-L580 PolarHBondContact O-N 3.14Å; L580-N583 PolarHBondContact O-N 2.9Å; L580-L584 WeakPolarHBondContact O-CB 3.48Å; L580-L584 PolarHBondContact O-N 2.92Å
581	S	49	Very low	46.4	Very low	65 Å²	65	89 Å²	89	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-72.9	-28.3	173.5	60.7	0	0	0	0	113.3	R577 R578 L584 A585	R577-S581 WeakPolarHBondContact O-CB 3.27Å; R577-S581 PolarHBondContact O-N 3.45Å; R577-S581 PolarHBondContact O-OG 2.82Å; R578-S581 WeakPolarHBondContact CA-OG 3.48Å; R578-S581 CarbonylContact O-C 3.33Å; R578-S581 PolarHBondContact O-N 2.83Å; R578-S581 VanDerWaalsContact O-N 3.15Å; R578-S581 PolarHBondContact O-OG 3.28Å; S581-L584 PolarHBondContact O-N 3.41Å; S581-A585 WeakPolarHBondContact O-CB 3.48Å; S581-A585 PolarHBondContact O-N 3.38Å
582	E	43.8	Very low	46.4	Very low	86 Å²	86	96.2 Å²	96.2	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-71.6	-36.3	172.1	-74.3	160.7	168.3	0	0	110.1	R578 R579 A585 Q586	R578-E582 VanDerWaalsContact CD-OE1 3.31Å; R578-E582 WeakPolarHBondContact CD-OE1 3.48Å; R578-E582 HydrophobicContact CG-CG 4.26Å; R578-E582 WeakPolarHBondContact CG-OE1 3.06Å; R578-E582 IonicContact NE-OE1 2.66Å; R578-E582 PolarHBondContact NE-OE1 3.13Å; R578-E582 VanDerWaalsContact NE-OE1 3.11Å; R578-E582 WeakPolarHBondContact O-CB 3.48Å; R578-E582 WeakPolarHBondContact O-CG 3.46Å; R578-E582 PolarHBondContact O-N 3.23Å; R579-E582 WeakPolarHBondContact CA-OE2 3.45Å; R579-E582 PolarHBondContact O-N 2.7Å; E582-A585 CarbonylContact O-C 3.34Å; E582-A585 PolarHBondContact O-N 3.12Å; E582-Q586 WeakPolarHBondContact O-CG 3.38Å; E582-Q586 PolarHBondContact O-N 2.84Å
583	N	33.8	Very low	46	Very low	105 Å²	105	104.4 Å²	104.4	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-70.1	-39.7	169.7	-84.2	-104.4	0	0	0	112	R579 L580 A585 Q586	R579-N583 WeakPolarHBondContact O-CB 3.25Å; R579-N583 PolarHBondContact O-N 2.76Å; R579-N583 PolarHBondContact O-ND2 3.37Å; L580-N583 PolarHBondContact O-N 2.9Å; N583-A585 VanDerWaalsContact C-N 3.27Å; N583-A585 PolarHBondContact O-N 3.01Å; N583-Q586 PolarHBondContact O-N 2.76Å
584	L	41.2	Very low	46.2	Very low	149 Å²	149	102.7 Å²	102.7	78%	0.78	51%	0.51	S	S	*	.	H	α-helix	trans	-68.6	-25.3	172.7	-113.7	68.5	0	0	0	113.1	L580 S581	L580-L584 WeakPolarHBondContact O-CB 3.48Å; L580-L584 PolarHBondContact O-N 2.92Å; S581-L584 PolarHBondContact O-N 3.41Å
585	A	34.7	Very low	46	Very low	72 Å²	72	106.2 Å²	106.2	60%	0.595	53%	0.526	S	S	*	.	H	α-helix	trans	-89.8	-7.4	174.4	0	0	0	0	0	113.3	S581 E582 N583 T587	S581-A585 WeakPolarHBondContact O-CB 3.48Å; S581-A585 PolarHBondContact O-N 3.38Å; E582-A585 CarbonylContact O-C 3.34Å; E582-A585 PolarHBondContact O-N 3.12Å; N583-A585 VanDerWaalsContact C-N 3.27Å; N583-A585 PolarHBondContact O-N 3.01Å; A585-T587 PolarHBondContact O-N 2.98Å
586	Q	35.7	Very low	45.9	Very low	150 Å²	150	110.6 Å²	110.6	70%	0.701	55%	0.545	S	S	*	.			trans	-76.5	60.8	159.7	-77.2	177.5	8.8	0	0	109.5	E582 N583	E582-Q586 WeakPolarHBondContact O-CG 3.38Å; E582-Q586 PolarHBondContact O-N 2.84Å; N583-Q586 PolarHBondContact O-N 2.76Å
587	T	30.6	Very low	46	Very low	69 Å²	69	107.8 Å²	107.8	42%	0.423	53%	0.531	S	S	.	.			trans	-64.7	141.3	162.5	50.1	0	0	0	0	108.9	A585 T589	A585-T587 PolarHBondContact O-N 2.98Å; T587-T589 PolarHBondContact O-N 2.97Å; T587-T589 VanDerWaalsContact O-N 3.1Å
588	P	41.2	Very low	46.3	Very low	88 Å²	88	101.7 Å²	101.7	57%	0.571	51%	0.514	S	S	*	.	S	Bend	trans	-63.2	116.9	-177.9	23.9	-32.8	0	0	0	110.8	T590	P588-T590 PolarHBondContact O-N 2.95Å
589	T	41.7	Very low	46.7	Very low	47 Å²	47	96.7 Å²	96.7	29%	0.288	50%	0.496	S	S	.	.			trans	34.3	71.4	167.7	66.8	0	0	0	0	115.7	T587 F591 K604 Q706 E707	T587-T589 PolarHBondContact O-N 2.97Å; T587-T589 VanDerWaalsContact O-N 3.1Å; T589-F591 PolarHBondContact O-N 2.77Å; T589-K604 PolarHBondContact O-NZ 3.04Å; T589-K604 VanDerWaalsContact O-NZ 3.15Å; T589-K604 PolarHBondContact OG1-NZ 3.05Å; T589-Q706 HydrophobicContact CG2-CG 4.42Å; T589-E707 PolarHBondContact OG1-OE1 3.23Å; T589-E707 PolarHBondContact OG1-OE2 3.32Å
590	T	39.7	Very low	47.1	Very low	114 Å²	114	90.8 Å²	90.8	70%	0.699	48%	0.475	S	S	*	.			trans	-58.8	108.1	165.9	49.5	0	0	0	0	109.7	P588 R592	P588-T590 PolarHBondContact O-N 2.95Å; T590-R592 PolarHBondContact O-N 3.14Å
591	F	49	Very low	47.9	Very low	36 Å²	36	87.8 Å²	87.8	16%	0.158	46%	0.461	C	S	.	.			trans	-57.2	131.1	178.4	-77.5	-33.7	0	0	0	110.5	T589 K604 Q695	T589-F591 PolarHBondContact O-N 2.77Å; F591-K604 HydrophobicContact CD2-CB 3.97Å; F591-K604 HydrophobicContact CD2-CD 3.39Å; F591-K604 HydrophobicContact CD2-CG 4.17Å; F591-K604 HydrophobicContact CE2-CB 4.27Å; F591-K604 HydrophobicContact CE2-CD 3.41Å; F591-K604 VanDerWaalsContact CE2-CD 3.41Å; F591-K604 HydrophobicContact CE2-CG 4.34Å; F591-K604 HydrophobicContact CG-CD 4Å; F591-K604 HydrophobicContact CZ-CD 4.03Å; F591-Q695 HydrophobicContact CD1-CB 3.79Å; F591-Q695 HydrophobicContact CD2-CB 4.46Å; F591-Q695 HydrophobicContact CE1-CB 3.53Å; F591-Q695 HydrophobicContact CE2-CB 4.23Å; F591-Q695 HydrophobicContact CG-CB 4.27Å; F591-Q695 HydrophobicContact CZ-CB 3.78Å
592	R	47.8	Very low	48.6	Very low	232 Å²	232	85.7 Å²	85.7	88%	0.875	45%	0.447	S	S	*	.			trans	-57.5	143.4	169.7	-69.7	-175.4	175.3	-171.9	-0.3	108.7	T590 D594	T590-R592 PolarHBondContact O-N 3.14Å; R592-D594 PolarHBondContact O-N 2.73Å
593	R	48.3	Very low	49.8	Very low	222 Å²	222	83.8 Å²	83.8	84%	0.838	44%	0.44	S	S	*	.			trans	-62.6	103.3	176.1	-71.6	-176.9	179.2	173.8	0.8	109.6	P595	R593-P595 WeakPolarHBondContact O-CD 3.24Å
594	D	50.2	Low	51.5	Low	28 Å²	28	80.7 Å²	80.7	15%	0.15	42%	0.422	C	S	.	.			trans	-70	117	164.9	-173.9	-13.3	0	0	0	108.5	R592 E596 D597 K694	R592-D594 PolarHBondContact O-N 2.73Å; D594-E596 PolarHBondContact O-N 3.23Å; D594-E596 WeakPolarHBondContact OD1-CB 3.45Å; D594-E596 PolarHBondContact OD1-N 3.36Å; D594-D597 CarbonylContact O-C 3.51Å; D594-D597 PolarHBondContact O-N 2.8Å; D594-K694 IonicContact OD1-NZ 2.82Å; D594-K694 IonicContact OD2-NZ 3.24Å; D594-K694 PolarHBondContact OD2-NZ 3.25Å
595	P	50.8	Low	53.3	Low	113 Å²	113	75.8 Å²	75.8	73%	0.734	40%	0.395	S	S	*	.	S	Bend	trans	-64.6	-22.7	177.6	-20.8	34.9	0	0	0	113.1	R593	R593-P595 WeakPolarHBondContact O-CD 3.24Å
596	E	52.1	Low	55.8	Low	138 Å²	138	75 Å²	75	65%	0.645	38%	0.383	S	S	*	.	S	Bend	trans	-89	-19.2	-178.6	-51.7	-177.5	144.2	0	0	112.7	D594 K694	D594-E596 PolarHBondContact O-N 3.23Å; D594-E596 WeakPolarHBondContact OD1-CB 3.45Å; D594-E596 PolarHBondContact OD1-N 3.36Å; E596-K694 IonicContact OE2-NZ 3.94Å; E596-K694 PolarHBondContact OE2-NZ 3.32Å; E596-K694 VanDerWaalsContact OE2-NZ 3.09Å
597	D	60.6	Low	58.4	Low	26 Å²	26	69.7 Å²	69.7	14%	0.139	36%	0.357	C	S	.	.			trans	-132.6	79	173.5	-152	-38.5	0	0	0	114.5	K410 D594 S599 A600	K410-D597 WeakPolarHBondContact CE-OD1 3.27Å; K410-D597 IonicContact NZ-OD1 3.25Å; K410-D597 PolarHBondContact NZ-OD1 2.9Å; K410-D597 IonicContact NZ-OD2 3.94Å; K410-D597 PolarHBondContact NZ-OD2 2.7Å; D594-D597 CarbonylContact O-C 3.51Å; D594-D597 PolarHBondContact O-N 2.8Å; D597-S599 PolarHBondContact O-N 3.13Å; D597-S599 VanDerWaalsContact OD1-CA 3.27Å; D597-S599 WeakPolarHBondContact OD1-CA 3.29Å; D597-S599 VanDerWaalsContact OD1-CB 3.31Å; D597-S599 WeakPolarHBondContact OD1-CB 3.48Å; D597-S599 PolarHBondContact OD1-N 3.01Å; D597-S599 PolarHBondContact OD1-OG 2.92Å; D597-A600 HydrophobicContact CB-CB 4.12Å; D597-A600 PolarHBondContact O-N 3.12Å; D597-A600 PolarHBondContact OD1-N 2.84Å
598	P	61.2	Low	61.2	Low	46 Å²	46	71.3 Å²	71.3	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-15.2	169.2	26.4	-35.4	0	0	0	113.8	A602	P598-A602 WeakPolarHBondContact O-CB 3.34Å; P598-A602 PolarHBondContact O-N 3.26Å
599	S	65	Low	63.6	Low	8 Å²	8	71.1 Å²	71.1	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-80.9	-36.5	179.6	75.7	0	0	0	0	112.5	K410 D597 V601 A602 L603	K410-S599 PolarHBondContact NZ-OG 3.08Å; D597-S599 PolarHBondContact O-N 3.13Å; D597-S599 VanDerWaalsContact OD1-CA 3.27Å; D597-S599 WeakPolarHBondContact OD1-CA 3.29Å; D597-S599 VanDerWaalsContact OD1-CB 3.31Å; D597-S599 WeakPolarHBondContact OD1-CB 3.48Å; D597-S599 PolarHBondContact OD1-N 3.01Å; D597-S599 PolarHBondContact OD1-OG 2.92Å; S599-V601 VanDerWaalsContact C-N 3.35Å; S599-V601 PolarHBondContact O-N 3.26Å; S599-A602 CarbonylContact O-C 3.57Å; S599-A602 PolarHBondContact O-N 3.24Å; S599-L603 WeakPolarHBondContact O-CB 3.47Å; S599-L603 VanDerWaalsContact O-CG 3.25Å; S599-L603 WeakPolarHBondContact O-CG 3.43Å; S599-L603 PolarHBondContact O-N 2.68Å
600	A	63	Low	65.9	Low	6 Å²	6	69.1 Å²	69.1	5%	0.05	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-43.5	175	0	0	0	0	0	111.8	D597 L603 K604 Q691	D597-A600 HydrophobicContact CB-CB 4.12Å; D597-A600 PolarHBondContact O-N 3.12Å; D597-A600 PolarHBondContact OD1-N 2.84Å; A600-L603 PolarHBondContact O-N 2.86Å; A600-K604 PolarHBondContact O-N 3.47Å; A600-Q691 HydrophobicContact CB-CG 3.64Å
601	V	66.3	Low	68.5	Low	44 Å²	44	65.2 Å²	65.2	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-43.9	174.6	-175.7	0	0	0	0	110.9	S599 L603 E605	S599-V601 VanDerWaalsContact C-N 3.35Å; S599-V601 PolarHBondContact O-N 3.26Å; V601-L603 PolarHBondContact O-N 3.28Å; V601-E605 PolarHBondContact O-N 3.32Å
602	A	64.8	Low	70.6	Confident	20 Å²	20	69.7 Å²	69.7	17%	0.165	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-19.7	176.9	0	0	0	0	0	113.7	V452 Y465 P598 S599 K610	V452-A602 HydrophobicContact CG2-CB 3.91Å; Y465-A602 PolarHBondContact OH-O 3.4Å; P598-A602 WeakPolarHBondContact O-CB 3.34Å; P598-A602 PolarHBondContact O-N 3.26Å; S599-A602 CarbonylContact O-C 3.57Å; S599-A602 PolarHBondContact O-N 3.24Å; A602-K610 WeakPolarHBondContact O-CE 3.29Å; A602-K610 PolarHBondContact O-NZ 3.44Å
603	L	69.1	Low	72.7	Confident	47 Å²	47	63.4 Å²	63.4	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-93.2	-37.6	178.4	-72.8	166.1	0	0	0	113.4	L454 I463 S599 A600 V601	L454-L603 HydrophobicContact CD2-CD1 4.46Å; I463-L603 HydrophobicContact CD1-CD2 4.14Å; S599-L603 WeakPolarHBondContact O-CB 3.47Å; S599-L603 VanDerWaalsContact O-CG 3.25Å; S599-L603 WeakPolarHBondContact O-CG 3.43Å; S599-L603 PolarHBondContact O-N 2.68Å; A600-L603 PolarHBondContact O-N 2.86Å; V601-L603 PolarHBondContact O-N 3.28Å
604	K	68	Low	74.9	Confident	40 Å²	40	53.2 Å²	53.2	17%	0.174	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-30.6	174.6	-176.7	167.2	-176.2	175.3	0	113.2	T589 F591 A600 P606 V687 E707	T589-K604 PolarHBondContact O-NZ 3.04Å; T589-K604 VanDerWaalsContact O-NZ 3.15Å; T589-K604 PolarHBondContact OG1-NZ 3.05Å; F591-K604 HydrophobicContact CD2-CB 3.97Å; F591-K604 HydrophobicContact CD2-CD 3.39Å; F591-K604 HydrophobicContact CD2-CG 4.17Å; F591-K604 HydrophobicContact CE2-CB 4.27Å; F591-K604 HydrophobicContact CE2-CD 3.41Å; F591-K604 VanDerWaalsContact CE2-CD 3.41Å; F591-K604 HydrophobicContact CE2-CG 4.34Å; F591-K604 HydrophobicContact CG-CD 4Å; F591-K604 HydrophobicContact CZ-CD 4.03Å; A600-K604 PolarHBondContact O-N 3.47Å; K604-P606 VanDerWaalsContact O-CD 3.26Å; K604-P606 WeakPolarHBondContact O-CD 3.4Å; K604-V687 HydrophobicContact CB-CG1 4.2Å; K604-E707 IonicContact NZ-OE1 2.76Å; K604-E707 PolarHBondContact NZ-OE1 3.34Å; K604-E707 IonicContact NZ-OE2 2.82Å
605	E	79.9	Confident	77	Confident	46 Å²	46	56.7 Å²	56.7	22%	0.215	28%	0.28	C	S	.	.	S	Bend	trans	-51.3	114.9	177.1	179	-166.3	-156.9	0	0	110.1	V601 W607 K610 R613	V601-E605 PolarHBondContact O-N 3.32Å; E605-W607 PolarHBondContact O-N 3.12Å; E605-K610 HydrophobicContact CG-CB 4.2Å; E605-K610 PolarHBondContact O-NZ 3.28Å; E605-K610 WeakPolarHBondContact OE2-CE 3.33Å; E605-K610 WeakPolarHBondContact OE2-CG 3.45Å; E605-K610 IonicContact OE2-NZ 2.69Å; E605-R613 IonicContact OE1-CZ 3.57Å; E605-R613 IonicContact OE1-NE 3.68Å; E605-R613 PolarHBondContact OE1-NE 3.11Å; E605-R613 IonicContact OE1-NH2 2.7Å; E605-R613 PolarHBondContact OE1-NH2 2.77Å; E605-R613 IonicContact OE2-CZ 2.72Å; E605-R613 IonicContact OE2-NH2 2.63Å; E605-R613 PolarHBondContact OE2-NH2 3.16Å
606	P	86.9	Confident	79	Confident	55 Å²	55	57.1 Å²	57.1	36%	0.357	27%	0.272	S	S	.	.			trans	-54.1	136	-172.2	-27.1	34.2	0	0	0	111.4	K604 E608 E609 K610	K604-P606 VanDerWaalsContact O-CD 3.26Å; K604-P606 WeakPolarHBondContact O-CD 3.4Å; P606-E608 PolarHBondContact O-N 3.13Å; P606-E608 VanDerWaalsContact O-N 3.16Å; P606-E609 HydrophobicContact CB-CG 4.16Å; P606-E609 HydrophobicContact CG-CG 4.48Å; P606-E609 PolarHBondContact O-N 2.75Å; P606-K610 PolarHBondContact O-N 3.39Å
607	W	90	Very high	80.8	Confident	38 Å²	38	52.8 Å²	52.8	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-53.4	-40.6	-174.5	175.7	-117.2	0	0	0	111.9	Y465 E605 E609 K610 V611 L628 L684 N685	Y465-W607 HydrophobicContact CD1-CH2 4.3Å; Y465-W607 AromaticContact CD1-CZ3 3.74Å; Y465-W607 HydrophobicContact CD1-CZ3 3.74Å; Y465-W607 AromaticContact CE1-CZ3 3.73Å; Y465-W607 HydrophobicContact CE1-CZ3 3.73Å; E605-W607 PolarHBondContact O-N 3.12Å; W607-E609 VanDerWaalsContact C-N 3.32Å; W607-E609 PolarHBondContact O-N 3.32Å; W607-K610 HydrophobicContact CE3-CD 4.23Å; W607-K610 HydrophobicContact CZ3-CD 4.28Å; W607-K610 PolarHBondContact O-N 2.9Å; W607-V611 HydrophobicContact CD2-CG2 3.77Å; W607-V611 VanDerWaalsContact CE2-CG2 3.49Å; W607-V611 HydrophobicContact CE3-CG2 4.23Å; W607-V611 HydrophobicContact CG-CG2 4.23Å; W607-V611 HydrophobicContact CH2-CG2 4.25Å; W607-V611 HydrophobicContact CZ2-CG2 3.77Å; W607-V611 HydrophobicContact CZ3-CG2 4.44Å; W607-V611 VanDerWaalsContact O-CB 3.27Å; W607-V611 WeakPolarHBondContact O-CB 3.26Å; W607-V611 WeakPolarHBondContact O-CG2 3.39Å; W607-V611 PolarHBondContact O-N 2.83Å; W607-L628 HydrophobicContact CH2-CB 4.11Å; W607-L628 HydrophobicContact CH2-CD2 3.64Å; W607-L628 HydrophobicContact CH2-CG 3.77Å; W607-L628 HydrophobicContact CZ2-CB 4.24Å; W607-L628 HydrophobicContact CZ2-CD2 4.37Å; W607-L628 HydrophobicContact CZ2-CG 4.4Å; W607-L628 HydrophobicContact CZ3-CD2 3.83Å; W607-L628 HydrophobicContact CZ3-CG 4.42Å; W607-L684 HydrophobicContact CB-CB 4.49Å; W607-L684 HydrophobicContact CD2-CD1 3.67Å; W607-L684 HydrophobicContact CD2-CD2 3.95Å; W607-L684 HydrophobicContact CD2-CG 4.36Å; W607-L684 HydrophobicContact CE3-CD1 4.19Å; W607-L684 HydrophobicContact CE3-CD2 3.63Å; W607-L684 HydrophobicContact CG-CD1 3.85Å; W607-L684 HydrophobicContact CG-CD2 4.46Å; W607-L684 HydrophobicContact CZ2-CD1 4.18Å; W607-L684 HydrophobicContact CZ3-CD2 4Å; W607-N685 VanDerWaalsContact CB-OD1 3.24Å; W607-N685 WeakPolarHBondContact CB-OD1 3.23Å; W607-N685 PolarHBondContact N-OD1 3.15Å
608	E	90.4	Very high	82.4	Confident	104 Å²	104	52 Å²	52	49%	0.486	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-38.3	179.6	-67	57	-127	0	0	112	P606 R612 N685	P606-E608 PolarHBondContact O-N 3.13Å; P606-E608 VanDerWaalsContact O-N 3.16Å; E608-R612 WeakPolarHBondContact O-CB 3.31Å; E608-R612 PolarHBondContact O-N 2.73Å; E608-R612 VanDerWaalsContact O-N 3.08Å; E608-N685 PolarHBondContact OE2-ND2 3.33Å; E608-N685 VanDerWaalsContact OE2-ND2 3.11Å
609	E	90.1	Very high	83.9	Confident	83 Å²	83	50 Å²	50	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-76.8	-43.2	177	-58.3	-162.9	135.2	0	0	111.6	P606 W607 V611 R612 R613	P606-E609 HydrophobicContact CB-CG 4.16Å; P606-E609 HydrophobicContact CG-CG 4.48Å; P606-E609 PolarHBondContact O-N 2.75Å; W607-E609 VanDerWaalsContact C-N 3.32Å; W607-E609 PolarHBondContact O-N 3.32Å; E609-V611 VanDerWaalsContact C-N 3.31Å; E609-V611 PolarHBondContact O-N 2.82Å; E609-R612 WeakPolarHBondContact O-CB 3.36Å; E609-R612 PolarHBondContact O-N 2.94Å; E609-R612 IonicContact OE1-NH1 3.09Å; E609-R613 VanDerWaalsContact O-CB 3.3Å; E609-R613 WeakPolarHBondContact O-CB 3.35Å; E609-R613 PolarHBondContact O-N 3.22Å
610	K	90.8	Very high	85.2	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-44.9	173.8	-176	179.7	-71.7	95.9	0	111.1	Y465 A602 E605 P606 W607 I614	Y465-K610 HydrophobicContact CD1-CD 4.2Å; Y465-K610 HydrophobicContact CE1-CD 3.64Å; Y465-K610 HydrophobicContact CE2-CD 4.09Å; Y465-K610 WeakPolarHBondContact OH-CE 3.48Å; A602-K610 WeakPolarHBondContact O-CE 3.29Å; A602-K610 PolarHBondContact O-NZ 3.44Å; E605-K610 HydrophobicContact CG-CB 4.2Å; E605-K610 PolarHBondContact O-NZ 3.28Å; E605-K610 WeakPolarHBondContact OE2-CE 3.33Å; E605-K610 WeakPolarHBondContact OE2-CG 3.45Å; E605-K610 IonicContact OE2-NZ 2.69Å; P606-K610 PolarHBondContact O-N 3.39Å; W607-K610 HydrophobicContact CE3-CD 4.23Å; W607-K610 HydrophobicContact CZ3-CD 4.28Å; W607-K610 PolarHBondContact O-N 2.9Å; K610-I614 HydrophobicContact CG-CD1 3.82Å; K610-I614 WeakPolarHBondContact O-CB 3.42Å; K610-I614 VanDerWaalsContact O-CG1 3.23Å; K610-I614 WeakPolarHBondContact O-CG1 3.5Å; K610-I614 PolarHBondContact O-N 3.15Å
611	V	94.3	Very high	86.6	Confident	32 Å²	32	49.8 Å²	49.8	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-50.8	174.2	168	0	0	0	0	110.5	W607 E609 I614 R615 W626 L628	W607-V611 HydrophobicContact CD2-CG2 3.77Å; W607-V611 VanDerWaalsContact CE2-CG2 3.49Å; W607-V611 HydrophobicContact CE3-CG2 4.23Å; W607-V611 HydrophobicContact CG-CG2 4.23Å; W607-V611 HydrophobicContact CH2-CG2 4.25Å; W607-V611 HydrophobicContact CZ2-CG2 3.77Å; W607-V611 HydrophobicContact CZ3-CG2 4.44Å; W607-V611 VanDerWaalsContact O-CB 3.27Å; W607-V611 WeakPolarHBondContact O-CB 3.26Å; W607-V611 WeakPolarHBondContact O-CG2 3.39Å; W607-V611 PolarHBondContact O-N 2.83Å; E609-V611 VanDerWaalsContact C-N 3.31Å; E609-V611 PolarHBondContact O-N 2.82Å; V611-I614 PolarHBondContact O-N 2.88Å; V611-R615 VanDerWaalsContact O-CB 3.26Å; V611-R615 WeakPolarHBondContact O-CB 3.36Å; V611-R615 PolarHBondContact O-N 2.9Å; V611-W626 HydrophobicContact CG1-CH2 4.37Å; V611-W626 HydrophobicContact CG1-CZ3 3.98Å; V611-L628 HydrophobicContact CG2-CB 4.1Å; V611-L628 HydrophobicContact CG2-CD2 3.93Å
612	R	93.1	Very high	87.9	Confident	129 Å²	129	54.2 Å²	54.2	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-56.5	-53.7	178.2	-174.3	-170.6	-55.9	124.8	4.3	111.7	E608 E609 I614 R615 E616	E608-R612 WeakPolarHBondContact O-CB 3.31Å; E608-R612 PolarHBondContact O-N 2.73Å; E608-R612 VanDerWaalsContact O-N 3.08Å; E609-R612 WeakPolarHBondContact O-CB 3.36Å; E609-R612 PolarHBondContact O-N 2.94Å; E609-R612 IonicContact OE1-NH1 3.09Å; R612-I614 PolarHBondContact O-N 2.72Å; R612-R615 WeakPolarHBondContact O-CB 3.46Å; R612-R615 PolarHBondContact O-N 3.1Å; R612-R615 VanDerWaalsContact O-N 3.11Å; R612-E616 VanDerWaalsContact CG-OE1 3.28Å; R612-E616 WeakPolarHBondContact CG-OE1 3.42Å; R612-E616 WeakPolarHBondContact O-CG 3.35Å; R612-E616 PolarHBondContact O-N 3.3Å
613	R	92.8	Very high	89.3	Confident	100 Å²	100	55.3 Å²	55.3	38%	0.377	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-38.5	-178.2	-175.2	175.3	59.4	72.8	-1.7	113	Q450 E605 E609 G617	Q450-R613 VanDerWaalsContact OE1-CZ 3.29Å; E605-R613 IonicContact OE1-CZ 3.57Å; E605-R613 IonicContact OE1-NE 3.68Å; E605-R613 PolarHBondContact OE1-NE 3.11Å; E605-R613 IonicContact OE1-NH2 2.7Å; E605-R613 PolarHBondContact OE1-NH2 2.77Å; E605-R613 IonicContact OE2-CZ 2.72Å; E605-R613 IonicContact OE2-NH2 2.63Å; E605-R613 PolarHBondContact OE2-NH2 3.16Å; E609-R613 VanDerWaalsContact O-CB 3.3Å; E609-R613 WeakPolarHBondContact O-CB 3.35Å; E609-R613 PolarHBondContact O-N 3.22Å; R613-G617 PolarHBondContact O-N 2.92Å
614	I	93.5	Very high	90.4	Very high	9 Å²	9	59 Å²	59	5%	0.046	29%	0.292	C	S	.	.	H	α-helix	trans	-72.7	-36.9	175.2	-68.6	169.8	0	0	0	111	P447 Q450 E467 K610 V611 R612 G617 S618 W626 L628	P447-I614 HydrophobicContact CB-CG2 4.15Å; P447-I614 HydrophobicContact CG-CG2 3.62Å; Q450-I614 HydrophobicContact CB-CD1 4.44Å; Q450-I614 HydrophobicContact CG-CD1 3.93Å; Q450-I614 HydrophobicContact CG-CG1 4.17Å; E467-I614 HydrophobicContact CG-CG2 4.5Å; K610-I614 HydrophobicContact CG-CD1 3.82Å; K610-I614 WeakPolarHBondContact O-CB 3.42Å; K610-I614 VanDerWaalsContact O-CG1 3.23Å; K610-I614 WeakPolarHBondContact O-CG1 3.5Å; K610-I614 PolarHBondContact O-N 3.15Å; V611-I614 PolarHBondContact O-N 2.88Å; R612-I614 PolarHBondContact O-N 2.72Å; I614-G617 CarbonylContact O-C 3.52Å; I614-G617 PolarHBondContact O-N 2.89Å; I614-S618 VanDerWaalsContact O-CB 3.31Å; I614-S618 WeakPolarHBondContact O-CB 3.36Å; I614-S618 PolarHBondContact O-N 2.95Å; I614-S618 VanDerWaalsContact O-N 3.15Å; I614-W626 HydrophobicContact CG2-CH2 4.48Å; I614-W626 HydrophobicContact CG2-CZ2 4.17Å; I614-L628 HydrophobicContact CB-CD2 4.43Å; I614-L628 HydrophobicContact CD1-CD1 4.48Å; I614-L628 HydrophobicContact CD1-CD2 3.69Å; I614-L628 HydrophobicContact CG2-CD1 3.93Å; I614-L628 HydrophobicContact CG2-CD2 4.48Å
615	R	94.6	Very high	91.7	Very high	100 Å²	100	60.1 Å²	60.1	38%	0.377	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-46.3	176.7	-164	175.9	-170	163.2	9.9	111.9	V611 R612 G617 S618 G621 L623 W626	V611-R615 VanDerWaalsContact O-CB 3.26Å; V611-R615 WeakPolarHBondContact O-CB 3.36Å; V611-R615 PolarHBondContact O-N 2.9Å; R612-R615 WeakPolarHBondContact O-CB 3.46Å; R612-R615 PolarHBondContact O-N 3.1Å; R612-R615 VanDerWaalsContact O-N 3.11Å; R615-G617 PolarHBondContact O-N 2.63Å; R615-S618 WeakPolarHBondContact O-CB 3.4Å; R615-S618 PolarHBondContact O-N 3.42Å; R615-S618 VanDerWaalsContact O-N 3.13Å; R615-G621 VanDerWaalsContact CG-O 3.29Å; R615-G621 WeakPolarHBondContact CG-O 3.35Å; R615-G621 PolarHBondContact NE-O 2.95Å; R615-L623 PolarHBondContact NH2-O 3.43Å; R615-W626 HydrophobicContact CB-CE3 4.23Å; R615-W626 HydrophobicContact CB-CH2 3.6Å; R615-W626 HydrophobicContact CB-CZ2 4.22Å; R615-W626 HydrophobicContact CB-CZ3 3.61Å; R615-W626 HydrophobicContact CG-CD2 4.2Å; R615-W626 HydrophobicContact CG-CE3 3.71Å; R615-W626 HydrophobicContact CG-CH2 4Å; R615-W626 HydrophobicContact CG-CZ2 4.45Å; R615-W626 HydrophobicContact CG-CZ3 3.6Å
616	E	93	Very high	92.5	Very high	123 Å²	123	58.4 Å²	58.4	58%	0.575	29%	0.292	S	S	*	.	H	α-helix	trans	-63.8	-27.6	177.6	-71.5	168.8	-170	0	0	113.5	R492 R612	R492-E616 PolarHBondContact NH2-O 3.13Å; R492-E616 VanDerWaalsContact NH2-O 3.16Å; R612-E616 VanDerWaalsContact CG-OE1 3.28Å; R612-E616 WeakPolarHBondContact CG-OE1 3.42Å; R612-E616 WeakPolarHBondContact O-CG 3.35Å; R612-E616 PolarHBondContact O-N 3.3Å
617	G	89.5	Confident	92.9	Very high	46 Å²	46	60.3 Å²	60.3	47%	0.474	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	8.6	175	0	0	0	0	0	115	R613 I614 R615	R613-G617 PolarHBondContact O-N 2.92Å; I614-G617 CarbonylContact O-C 3.52Å; I614-G617 PolarHBondContact O-N 2.89Å; R615-G617 PolarHBondContact O-N 2.63Å
618	S	93.6	Very high	93.2	Very high	10 Å²	10	59.1 Å²	59.1	7%	0.07	29%	0.288	C	S	.	.			trans	-103.4	137.6	-174.1	170.1	0	0	0	0	113.5	E467 I614 R615 Y620 G621	E467-S618 VanDerWaalsContact OE2-CB 3.26Å; E467-S618 WeakPolarHBondContact OE2-CB 3.22Å; E467-S618 PolarHBondContact OE2-OG 2.89Å; I614-S618 VanDerWaalsContact O-CB 3.31Å; I614-S618 WeakPolarHBondContact O-CB 3.36Å; I614-S618 PolarHBondContact O-N 2.95Å; I614-S618 VanDerWaalsContact O-N 3.15Å; R615-S618 WeakPolarHBondContact O-CB 3.4Å; R615-S618 PolarHBondContact O-N 3.42Å; R615-S618 VanDerWaalsContact O-N 3.13Å; S618-Y620 PolarHBondContact O-N 2.86Å; S618-Y620 PolarHBondContact OG-N 2.95Å; S618-G621 PolarHBondContact O-N 3.42Å; S618-G621 PolarHBondContact OG-N 3.36Å
619	P	92.6	Very high	93.4	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.019	27%	0.273	C	S	.	.	S	Bend	trans	-59.3	-26.2	165.6	-19	30.3	0	0	0	114.2	I483 E485 I488 H622	I483-P619 HydrophobicContact CB-CB 4.03Å; I483-P619 WeakPolarHBondContact CD1-O 3.41Å; I483-P619 HydrophobicContact CG2-CB 3.93Å; E485-P619 HydrophobicContact CB-CG 4.48Å; E485-P619 HydrophobicContact CG-CG 3.84Å; I488-P619 HydrophobicContact CD1-CB 4.15Å; I488-P619 HydrophobicContact CD1-CG 4.06Å; P619-H622 PolarHBondContact O-CE1 3.26Å; P619-H622 PolarHBondContact O-ND1 3.47Å; P619-H622 VanDerWaalsContact O-ND1 3.17Å
620	Y	94	Very high	93.7	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.027	26%	0.259	C	S	.	.	S	Bend	trans	-104.6	-11.4	-176.7	-55.6	-77.5	0	0	0	113.1	P429 C444 R445 L469 R482 I483 S618 H622 L623	P429-Y620 WeakPolarHBondContact CD-OH 3.11Å; P429-Y620 HydrophobicContact CG-CE1 4.41Å; P429-Y620 WeakPolarHBondContact CG-OH 3.48Å; C444-Y620 HydrophobicContact CB-CD1 4.27Å; C444-Y620 HydrophobicContact CB-CD2 3.98Å; C444-Y620 HydrophobicContact CB-CE1 4.21Å; C444-Y620 HydrophobicContact CB-CE2 3.92Å; C444-Y620 HydrophobicContact CB-CG 4.16Å; R445-Y620 HydrophobicContact CB-CD2 4.15Å; R445-Y620 HydrophobicContact CB-CE2 4Å; L469-Y620 HydrophobicContact CD1-CD1 4.28Å; R482-Y620 WeakPolarHBondContact CA-OH 3.42Å; I483-Y620 HydrophobicContact CB-CE1 4.04Å; I483-Y620 HydrophobicContact CD1-CD1 3.72Å; I483-Y620 HydrophobicContact CD1-CE1 3.9Å; I483-Y620 HydrophobicContact CG1-CD1 4.11Å; I483-Y620 HydrophobicContact CG1-CE1 3.74Å; I483-Y620 PolarHBondContact N-OH 3.46Å; S618-Y620 PolarHBondContact O-N 2.86Å; S618-Y620 PolarHBondContact OG-N 2.95Å; Y620-H622 PolarHBondContact O-N 3.02Å; Y620-H622 VanDerWaalsContact O-N 3.12Å; Y620-L623 HydrophobicContact CD1-CD1 4.26Å; Y620-L623 VanDerWaalsContact O-CB 3.29Å; Y620-L623 WeakPolarHBondContact O-CB 3.47Å; Y620-L623 WeakPolarHBondContact O-CG 3.48Å; Y620-L623 PolarHBondContact O-N 3.36Å
621	G	92.4	Very high	93.9	Very high	3 Å²	3	52 Å²	52	3%	0.031	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-171.7	0	0	0	0	0	114.9	R615 S618 L623	R615-G621 VanDerWaalsContact CG-O 3.29Å; R615-G621 WeakPolarHBondContact CG-O 3.35Å; R615-G621 PolarHBondContact NE-O 2.95Å; S618-G621 PolarHBondContact O-N 3.42Å; S618-G621 PolarHBondContact OG-N 3.36Å; G621-L623 PolarHBondContact O-N 2.97Å
622	H	92.2	Very high	93.9	Very high	137 Å²	137	51.8 Å²	51.8	63%	0.634	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.3	174.6	68.5	-87.2	0	0	0	113.8	P619 Y620	P619-H622 PolarHBondContact O-CE1 3.26Å; P619-H622 PolarHBondContact O-ND1 3.47Å; P619-H622 VanDerWaalsContact O-ND1 3.17Å; Y620-H622 PolarHBondContact O-N 3.02Å; Y620-H622 VanDerWaalsContact O-N 3.12Å
623	L	94.3	Very high	94	Very high	44 Å²	44	45.7 Å²	45.7	23%	0.23	23%	0.232	C	C	.	.	S	Bend	trans	-77.1	143.9	-178.5	-61.7	171.9	0	0	0	111.2	L469 R615 Y620 G621 W626	L469-L623 HydrophobicContact CD1-CD1 3.76Å; L469-L623 HydrophobicContact CD2-CB 4.28Å; L469-L623 HydrophobicContact CD2-CD1 3.8Å; L469-L623 HydrophobicContact CG-CD1 4.47Å; R615-L623 PolarHBondContact NH2-O 3.43Å; Y620-L623 HydrophobicContact CD1-CD1 4.26Å; Y620-L623 VanDerWaalsContact O-CB 3.29Å; Y620-L623 WeakPolarHBondContact O-CB 3.47Å; Y620-L623 WeakPolarHBondContact O-CG 3.48Å; Y620-L623 PolarHBondContact O-N 3.36Å; G621-L623 PolarHBondContact O-N 2.97Å; L623-W626 HydrophobicContact CB-CB 4.31Å; L623-W626 WeakPolarHBondContact O-CB 3.28Å; L623-W626 PolarHBondContact O-N 3.44Å
624	P	93	Very high	94	Very high	123 Å²	123	41.8 Å²	41.8	80%	0.799	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-31.4	-177.3	28.7	-34.7	0	0	0	112.7	W626	P624-W626 VanDerWaalsContact C-N 3.29Å; P624-W626 PolarHBondContact O-N 2.89Å
625	N	94.2	Very high	93.8	Very high	65 Å²	65	41.8 Å²	41.8	35%	0.348	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.9	176.1	68.7	-33.6	0	0	0	113.5	L469 E470	L469-N625 WeakPolarHBondContact CA-O 3.37Å; E470-N625 HydrophobicContact CB-CB 4.32Å; E470-N625 PolarHBondContact N-O 3.17Å; E470-N625 PolarHBondContact O-ND2 3.49Å
626	W	96.4	Very high	93.3	Very high	9 Å²	9	37.8 Å²	37.8	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.4	173.2	-179.2	94.7	0	0	0	111.1	E467 L469 V611 I614 R615 L623 P624 L628	E467-W626 HydrophobicContact CG-CZ2 4.01Å; E467-W626 PolarHBondContact OE2-NE1 3.21Å; L469-W626 HydrophobicContact CD2-CB 3.98Å; L469-W626 HydrophobicContact CD2-CG 4.48Å; V611-W626 HydrophobicContact CG1-CH2 4.37Å; V611-W626 HydrophobicContact CG1-CZ3 3.98Å; I614-W626 HydrophobicContact CG2-CH2 4.48Å; I614-W626 HydrophobicContact CG2-CZ2 4.17Å; R615-W626 HydrophobicContact CB-CE3 4.23Å; R615-W626 HydrophobicContact CB-CH2 3.6Å; R615-W626 HydrophobicContact CB-CZ2 4.22Å; R615-W626 HydrophobicContact CB-CZ3 3.61Å; R615-W626 HydrophobicContact CG-CD2 4.2Å; R615-W626 HydrophobicContact CG-CE3 3.71Å; R615-W626 HydrophobicContact CG-CH2 4Å; R615-W626 HydrophobicContact CG-CZ2 4.45Å; R615-W626 HydrophobicContact CG-CZ3 3.6Å; L623-W626 HydrophobicContact CB-CB 4.31Å; L623-W626 WeakPolarHBondContact O-CB 3.28Å; L623-W626 PolarHBondContact O-N 3.44Å; P624-W626 VanDerWaalsContact C-N 3.29Å; P624-W626 PolarHBondContact O-N 2.89Å; W626-L628 HydrophobicContact CH2-CB 3.91Å; W626-L628 HydrophobicContact CZ2-CB 4.39Å; W626-L628 HydrophobicContact CZ2-CD1 4.35Å; W626-L628 HydrophobicContact CZ3-CB 4.41Å
627	R	96	Very high	92.9	Very high	96 Å²	96	34 Å²	34	36%	0.362	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.7	172.4	-65.7	177.1	70.1	164.2	2.6	110	H439 V468 E470	H439-R627 PolarHBondContact CD2-NH1 3.29Å; H439-R627 PolarHBondContact CE1-NH1 3.28Å; H439-R627 PolarHBondContact ND1-NH1 2.83Å; H439-R627 PolarHBondContact NE2-NH1 3Å; H439-R627 VanDerWaalsContact NE2-NH1 3.15Å; V468-R627 HydrophobicContact CG2-CB 3.98Å; V468-R627 PolarHBondContact N-O 3.03Å; V468-R627 PolarHBondContact O-N 3.35Å; E470-R627 WeakPolarHBondContact OE2-CD 3.37Å; E470-R627 IonicContact OE2-CZ 2.9Å; E470-R627 IonicContact OE2-NE 3.26Å; E470-R627 IonicContact OE2-NH1 3.05Å; E470-R627 PolarHBondContact OE2-NH1 2.85Å
628	L	96.1	Very high	92.9	Very high	13 Å²	13	34 Å²	34	7%	0.068	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138	166.9	-165.3	68.8	0	0	0	109.1	P447 E467 W607 V611 I614 W626	P447-L628 HydrophobicContact CG-CD1 4.29Å; E467-L628 HydrophobicContact CG-CD1 4.05Å; W607-L628 HydrophobicContact CH2-CB 4.11Å; W607-L628 HydrophobicContact CH2-CD2 3.64Å; W607-L628 HydrophobicContact CH2-CG 3.77Å; W607-L628 HydrophobicContact CZ2-CB 4.24Å; W607-L628 HydrophobicContact CZ2-CD2 4.37Å; W607-L628 HydrophobicContact CZ2-CG 4.4Å; W607-L628 HydrophobicContact CZ3-CD2 3.83Å; W607-L628 HydrophobicContact CZ3-CG 4.42Å; V611-L628 HydrophobicContact CG2-CB 4.1Å; V611-L628 HydrophobicContact CG2-CD2 3.93Å; I614-L628 HydrophobicContact CB-CD2 4.43Å; I614-L628 HydrophobicContact CD1-CD1 4.48Å; I614-L628 HydrophobicContact CD1-CD2 3.69Å; I614-L628 HydrophobicContact CG2-CD1 3.93Å; I614-L628 HydrophobicContact CG2-CD2 4.48Å; W626-L628 HydrophobicContact CH2-CB 3.91Å; W626-L628 HydrophobicContact CZ2-CB 4.39Å; W626-L628 HydrophobicContact CZ2-CD1 4.35Å; W626-L628 HydrophobicContact CZ3-CB 4.41Å
629	L	95.9	Very high	92.9	Very high	31 Å²	31	33.6 Å²	33.6	16%	0.162	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	165	168.4	-61.2	-179.7	0	0	0	109.6	L434 A437 Y465 V466 V468	L434-L629 HydrophobicContact CB-CD1 4.25Å; L434-L629 HydrophobicContact CD1-CB 4Å; L434-L629 HydrophobicContact CD1-CD1 4.01Å; L434-L629 HydrophobicContact CG-CD1 4.48Å; A437-L629 HydrophobicContact CB-CD1 3.75Å; A437-L629 HydrophobicContact CB-CD2 4.39Å; Y465-L629 CarbonylContact C-O 3.53Å; Y465-L629 WeakPolarHBondContact CA-O 3.37Å; V466-L629 PolarHBondContact N-O 3.23Å; V466-L629 PolarHBondContact O-N 3.25Å; V468-L629 HydrophobicContact CG1-CD1 3.79Å; V468-L629 HydrophobicContact CG1-CG 4.2Å; V468-L629 HydrophobicContact CG2-CD1 3.97Å; V468-L629 HydrophobicContact CG2-CG 4Å
630	S	94.8	Very high	92.9	Very high	13 Å²	13	34.4 Å²	34.4	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.2	176.8	51.3	0	0	0	0	110	I464 P682	I464-S630 WeakPolarHBondContact O-CA 3.32Å; S630-P682 WeakPolarHBondContact O-CD 3.26Å; S630-P682 VanDerWaalsContact OG-CG 3.28Å; S630-P682 WeakPolarHBondContact OG-CG 3.27Å
631	V	95.8	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	137.6	176.6	65	0	0	0	0	110.8	L434 I464 M679	L434-V631 HydrophobicContact CD1-CB 4.46Å; L434-V631 HydrophobicContact CD1-CG1 4.13Å; L434-V631 HydrophobicContact CD2-CG1 4.41Å; I464-V631 HydrophobicContact CD1-CG1 3.86Å; I464-V631 HydrophobicContact CG1-CG1 3.49Å; I464-V631 VanDerWaalsContact CG1-CG1 3.49Å; I464-V631 PolarHBondContact N-O 2.91Å; I464-V631 PolarHBondContact O-N 2.93Å; V631-M679 HydrophobicContact CG2-CB 3.61Å; V631-M679 HydrophobicContact CG2-CG 3.63Å; V631-M679 HydrophobicContact CG2-SD 4Å
632	I	95.3	Very high	93	Very high	27 Å²	27	35.1 Å²	35.1	14%	0.138	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.5	168.4	-63.8	168.4	0	0	0	107.9	L454 P461 Y462 I463 M679 I680 P682	L454-I632 HydrophobicContact CD1-CD1 3.96Å; L454-I632 HydrophobicContact CD1-CG1 4.16Å; L454-I632 HydrophobicContact CD1-CG2 4.02Å; P461-I632 HydrophobicContact CB-CG2 4.01Å; Y462-I632 WeakPolarHBondContact O-CA 3.39Å; I463-I632 HydrophobicContact CB-CG1 4.12Å; I463-I632 HydrophobicContact CD1-CG1 4.41Å; I463-I632 HydrophobicContact CG1-CG1 4.19Å; I632-M679 CarbonylContact O-C 3.49Å; I632-M679 VanDerWaalsContact O-CA 3.26Å; I632-M679 WeakPolarHBondContact O-CA 3.06Å; I632-I680 HydrophobicContact CB-CB 4.25Å; I632-I680 PolarHBondContact N-O 3.42Å; I632-I680 PolarHBondContact O-N 2.88Å; I632-P682 HydrophobicContact CD1-CB 3.83Å; I632-P682 HydrophobicContact CG1-CB 4.02Å
633	V	95	Very high	93.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.5	174.9	-169	0	0	0	0	108.8	F398 P461 Y462 I464 M679	F398-V633 HydrophobicContact CD1-CG1 4.13Å; F398-V633 HydrophobicContact CE1-CG1 4.15Å; P461-V633 WeakPolarHBondContact CA-O 3.39Å; Y462-V633 HydrophobicContact CD1-CB 4.41Å; Y462-V633 HydrophobicContact CD2-CB 4.49Å; Y462-V633 HydrophobicContact CD2-CG2 4.48Å; Y462-V633 HydrophobicContact CE1-CB 3.89Å; Y462-V633 HydrophobicContact CE1-CG1 4.22Å; Y462-V633 HydrophobicContact CE2-CB 3.99Å; Y462-V633 HydrophobicContact CE2-CG2 3.81Å; Y462-V633 PolarHBondContact N-O 2.8Å; Y462-V633 PolarHBondContact O-N 2.76Å; I464-V633 HydrophobicContact CD1-CG2 4.41Å; V633-M679 HydrophobicContact CG2-CE 4.16Å; V633-M679 HydrophobicContact CG2-CG 4.24Å
634	K	92.7	Very high	93.2	Very high	19 Å²	19	27.3 Å²	27.3	8%	0.083	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.4	171.5	-81.1	-165.5	171.1	-176.1	0	109.2	P461 D637 L639 E642 G678 I680 D759	P461-K634 HydrophobicContact CB-CG 3.98Å; K634-D637 HydrophobicContact CB-CB 4.38Å; K634-D637 HydrophobicContact CD-CB 4.26Å; K634-L639 HydrophobicContact CB-CD1 4.26Å; K634-L639 HydrophobicContact CB-CD2 3.94Å; K634-L639 HydrophobicContact CD-CD1 4.42Å; K634-L639 HydrophobicContact CD-CD2 3.48Å; K634-L639 VanDerWaalsContact CD-CD2 3.48Å; K634-L639 HydrophobicContact CG-CD2 4.26Å; K634-E642 IonicContact NZ-OE1 2.73Å; K634-E642 PolarHBondContact NZ-OE1 3.34Å; K634-G678 PolarHBondContact N-O 3.02Å; K634-G678 PolarHBondContact O-N 2.82Å; K634-I680 HydrophobicContact CD-CD1 3.73Å; K634-I680 HydrophobicContact CG-CD1 4.15Å; K634-D759 IonicContact NZ-OD1 2.65Å; K634-D759 IonicContact NZ-OD2 3.83Å; K634-D759 PolarHBondContact NZ-OD2 2.89Å
635	C	88.8	Confident	93.4	Very high	8 Å²	8	21.5 Å²	21.5	5%	0.054	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	104.1	-173.7	-71.2	0	0	0	0	110.9
636	G	83.3	Confident	93.5	Very high	16 Å²	16	20.6 Å²	20.6	17%	0.165	10%	0.101	C	C	.	.	S	Bend	trans	106.3	3.1	-176.8	0	0	0	0	0	114.3	K459 D676	K459-G636 WeakPolarHBondContact CD-O 3.49Å; K459-G636 WeakPolarHBondContact CE-O 3.25Å; K459-G636 PolarHBondContact NZ-O 2.76Å; G636-D676 CarbonylContact C-O 3.27Å; G636-D676 VanDerWaalsContact C-O 3.26Å; G636-D676 WeakPolarHBondContact CA-O 3.43Å; G636-D676 PolarHBondContact N-O 3.31Å
637	D	86.3	Confident	93.5	Very high	45 Å²	45	20.4 Å²	20.4	24%	0.241	10%	0.1	C	C	.	.			trans	-115	141.3	-175.5	-51.3	-43.9	0	0	0	111.1	K459 K634 L639 D676 S677	K459-D637 WeakPolarHBondContact CD-OD1 3.22Å; K634-D637 HydrophobicContact CB-CB 4.38Å; K634-D637 HydrophobicContact CD-CB 4.26Å; D637-L639 HydrophobicContact CB-CD2 3.98Å; D637-L639 PolarHBondContact O-N 3.03Å; D637-D676 PolarHBondContact N-O 2.82Å; D637-D676 CarbonylContact O-C 3.55Å; D637-D676 VanDerWaalsContact O-C 3.28Å; D637-S677 PolarHBondContact O-N 3.45Å
638	D	88.8	Confident	93.6	Very high	45 Å²	45	15.8 Å²	15.8	24%	0.241	8%	0.083	C	C	.	.			trans	-89.4	102.4	-179.1	-176.3	1.5	0	0	0	111.3	R640 S675 L830	D638-R640 VanDerWaalsContact CG-NE 3.33Å; D638-R640 PolarHBondContact O-N 3.24Å; D638-R640 WeakPolarHBondContact OD1-CB 3.32Å; D638-R640 WeakPolarHBondContact OD1-CG 3.43Å; D638-R640 IonicContact OD1-CZ 3.91Å; D638-R640 PolarHBondContact OD1-N 3.22Å; D638-R640 IonicContact OD1-NE 3.26Å; D638-R640 PolarHBondContact OD1-NE 2.97Å; D638-R640 IonicContact OD2-CZ 2.67Å; D638-R640 VanDerWaalsContact OD2-CZ 3.26Å; D638-R640 IonicContact OD2-NE 3.48Å; D638-R640 PolarHBondContact OD2-NE 3.13Å; D638-R640 IonicContact OD2-NH2 3.48Å; D638-R640 PolarHBondContact OD2-NH2 3.18Å; D638-S675 WeakPolarHBondContact CB-O 3.49Å; D638-L830 VanDerWaalsContact OD2-CD2 3.31Å; D638-L830 WeakPolarHBondContact OD2-CD2 3.45Å
639	L	93.2	Very high	93.6	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	6.6	-176.4	-42.6	-160.8	0	0	0	113	K634 D637 Q641 E642 L643 I670 V672 I680	K634-L639 HydrophobicContact CB-CD1 4.26Å; K634-L639 HydrophobicContact CB-CD2 3.94Å; K634-L639 HydrophobicContact CD-CD1 4.42Å; K634-L639 HydrophobicContact CD-CD2 3.48Å; K634-L639 VanDerWaalsContact CD-CD2 3.48Å; K634-L639 HydrophobicContact CG-CD2 4.26Å; D637-L639 HydrophobicContact CB-CD2 3.98Å; D637-L639 PolarHBondContact O-N 3.03Å; L639-Q641 VanDerWaalsContact C-N 3.26Å; L639-Q641 PolarHBondContact O-N 3.21Å; L639-E642 HydrophobicContact CB-CB 4.46Å; L639-E642 WeakPolarHBondContact CD2-OE2 3.24Å; L639-E642 PolarHBondContact O-N 3.06Å; L639-L643 WeakPolarHBondContact O-CB 3.31Å; L639-L643 PolarHBondContact O-N 2.81Å; L639-I670 HydrophobicContact CB-CG2 3.86Å; L639-I670 HydrophobicContact CD1-CG2 4.3Å; L639-V672 HydrophobicContact CB-CG2 4.15Å; L639-I680 HydrophobicContact CD1-CD1 4.24Å; L639-I680 HydrophobicContact CD1-CG1 3.82Å
640	R	93.1	Very high	93.7	Very high	19 Å²	19	17 Å²	17	7%	0.072	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-32.1	178.5	-68.1	177.6	-65.5	166.8	13.4	112.3	A266 Y267 D270 D638 L644 V672 L830	A266-R640 WeakPolarHBondContact O-CD 3.27Å; A266-R640 PolarHBondContact O-NH1 2.74Å; Y267-R640 HydrophobicContact CE1-CG 4.13Å; D270-R640 IonicContact OD1-CZ 3.1Å; D270-R640 IonicContact OD1-NH1 2.75Å; D270-R640 PolarHBondContact OD1-NH1 3.34Å; D270-R640 IonicContact OD1-NH2 3.96Å; D270-R640 IonicContact OD2-NH1 3.79Å; D638-R640 VanDerWaalsContact CG-NE 3.33Å; D638-R640 PolarHBondContact O-N 3.24Å; D638-R640 WeakPolarHBondContact OD1-CB 3.32Å; D638-R640 WeakPolarHBondContact OD1-CG 3.43Å; D638-R640 IonicContact OD1-CZ 3.91Å; D638-R640 PolarHBondContact OD1-N 3.22Å; D638-R640 IonicContact OD1-NE 3.26Å; D638-R640 PolarHBondContact OD1-NE 2.97Å; D638-R640 IonicContact OD2-CZ 2.67Å; D638-R640 VanDerWaalsContact OD2-CZ 3.26Å; D638-R640 IonicContact OD2-NE 3.48Å; D638-R640 PolarHBondContact OD2-NE 3.13Å; D638-R640 IonicContact OD2-NH2 3.48Å; D638-R640 PolarHBondContact OD2-NH2 3.18Å; R640-L644 PolarHBondContact O-N 3.37Å; R640-V672 HydrophobicContact CG-CG1 3.91Å; R640-V672 HydrophobicContact CG-CG2 4.24Å; R640-L830 HydrophobicContact CB-CD1 3.88Å; R640-L830 HydrophobicContact CB-CD2 3.86Å
641	Q	92.8	Very high	93.8	Very high	19 Å²	19	17 Å²	17	9%	0.089	9%	0.085	C	C	.	.	H	α-helix	trans	-72.9	-42	173	-65.8	-172.1	100	0	0	112.2	L639 L643 L644 A645 G761 I763 L830	L639-Q641 VanDerWaalsContact C-N 3.26Å; L639-Q641 PolarHBondContact O-N 3.21Å; Q641-L643 VanDerWaalsContact C-N 3.3Å; Q641-L643 PolarHBondContact O-N 3.01Å; Q641-L644 WeakPolarHBondContact O-CB 3.48Å; Q641-L644 PolarHBondContact O-N 2.69Å; Q641-A645 PolarHBondContact O-N 3.49Å; Q641-G761 PolarHBondContact NE2-O 2.55Å; Q641-G761 VanDerWaalsContact NE2-O 3.12Å; Q641-I763 HydrophobicContact CB-CD1 4.37Å; Q641-L830 HydrophobicContact CG-CB 4.21Å; Q641-L830 HydrophobicContact CG-CD1 4.15Å; Q641-L830 HydrophobicContact CG-CD2 4.24Å; Q641-L830 HydrophobicContact CG-CG 4.44Å
642	E	94.4	Very high	94	Very high	6 Å²	6	17 Å²	17	3%	0.028	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-37.9	174.8	-65.1	-176.5	156.1	0	0	111.7	K634 L639 A645 Y646 I670 I680	K634-E642 IonicContact NZ-OE1 2.73Å; K634-E642 PolarHBondContact NZ-OE1 3.34Å; L639-E642 HydrophobicContact CB-CB 4.46Å; L639-E642 WeakPolarHBondContact CD2-OE2 3.24Å; L639-E642 PolarHBondContact O-N 3.06Å; E642-A645 WeakPolarHBondContact O-CB 2.75Å; E642-A645 PolarHBondContact O-N 2.72Å; E642-Y646 PolarHBondContact O-N 2.98Å; E642-I670 HydrophobicContact CB-CD1 3.98Å; E642-I670 HydrophobicContact CB-CG1 4.09Å; E642-I670 HydrophobicContact CB-CG2 4.12Å; E642-I680 VanDerWaalsContact OE2-CD1 3.27Å; E642-I680 WeakPolarHBondContact OE2-CD1 3.27Å
643	L	95.9	Very high	94.1	Very high	14 Å²	14	17.5 Å²	17.5	7%	0.073	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-41.4	175.6	178.5	61.4	0	0	0	111.9	P225 L263 L639 Q641 A645 Y646 Q647 I670 V672	P225-L643 HydrophobicContact CB-CD2 4.47Å; P225-L643 HydrophobicContact CG-CD2 4.07Å; L263-L643 HydrophobicContact CD2-CD2 3.89Å; L639-L643 WeakPolarHBondContact O-CB 3.31Å; L639-L643 PolarHBondContact O-N 2.81Å; Q641-L643 VanDerWaalsContact C-N 3.3Å; Q641-L643 PolarHBondContact O-N 3.01Å; L643-A645 VanDerWaalsContact C-N 3.34Å; L643-Y646 HydrophobicContact CD1-CD1 4.22Å; L643-Y646 PolarHBondContact O-N 3.21Å; L643-Q647 PolarHBondContact O-N 2.81Å; L643-I670 HydrophobicContact CB-CB 4.31Å; L643-I670 HydrophobicContact CB-CG2 3.99Å; L643-I670 HydrophobicContact CD1-CB 4.28Å; L643-V672 HydrophobicContact CB-CG2 3.94Å; L643-V672 HydrophobicContact CD2-CB 4.35Å; L643-V672 HydrophobicContact CD2-CG2 3.7Å; L643-V672 HydrophobicContact CG-CG2 4.43Å
644	L	95.9	Very high	94.2	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-43.2	173.6	178.2	62.6	0	0	0	111.2	R640 Q641 Q647 F648 I763 L764 I820 V821 M824 F833	R640-L644 PolarHBondContact O-N 3.37Å; Q641-L644 WeakPolarHBondContact O-CB 3.48Å; Q641-L644 PolarHBondContact O-N 2.69Å; L644-Q647 PolarHBondContact O-N 3.21Å; L644-F648 WeakPolarHBondContact O-CB 3.47Å; L644-F648 PolarHBondContact O-N 3.38Å; L644-I763 HydrophobicContact CD2-CD1 4.33Å; L644-L764 HydrophobicContact CD2-CD1 4.37Å; L644-I820 HydrophobicContact CD1-CG2 3.9Å; L644-V821 HydrophobicContact CD1-CG2 4.38Å; L644-M824 HydrophobicContact CD1-CB 4.02Å; L644-M824 HydrophobicContact CD1-CG 4.07Å; L644-F833 HydrophobicContact CD2-CE1 4.3Å; L644-F833 HydrophobicContact CD2-CZ 3.71Å
645	A	96.2	Very high	94.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-45.5	173.6	0	0	0	0	0	111.6	Q641 E642 L643 Q647 F648 L649 L737 F760 I763	Q641-A645 PolarHBondContact O-N 3.49Å; E642-A645 WeakPolarHBondContact O-CB 2.75Å; E642-A645 PolarHBondContact O-N 2.72Å; L643-A645 VanDerWaalsContact C-N 3.34Å; A645-Q647 VanDerWaalsContact C-N 3.34Å; A645-Q647 PolarHBondContact O-N 3.34Å; A645-F648 WeakPolarHBondContact O-CB 3.22Å; A645-F648 PolarHBondContact O-N 2.99Å; A645-F648 VanDerWaalsContact O-N 3.12Å; A645-L649 HydrophobicContact CB-CD1 4.41Å; A645-L649 WeakPolarHBondContact O-CB 3.48Å; A645-L649 WeakPolarHBondContact O-CD1 3.19Å; A645-L649 PolarHBondContact O-N 3.12Å; A645-L737 HydrophobicContact CB-CD2 3.93Å; A645-F760 HydrophobicContact CB-CB 3.48Å; A645-F760 VanDerWaalsContact CB-CB 3.48Å; A645-F760 HydrophobicContact CB-CD1 4.17Å; A645-F760 HydrophobicContact CB-CD2 4.24Å; A645-F760 HydrophobicContact CB-CG 3.71Å; A645-I763 HydrophobicContact CB-CD1 4.41Å
646	Y	96.9	Very high	94.9	Very high	47 Å²	47	19.2 Å²	19.2	18%	0.184	10%	0.101	C	C	.	.	H	α-helix	trans	-55.7	-45.2	176.1	166.6	-99.2	0	0	0	112.5	E642 L643 L649 K650 P667 Y668 K669 I670	E642-Y646 PolarHBondContact O-N 2.98Å; L643-Y646 HydrophobicContact CD1-CD1 4.22Å; L643-Y646 PolarHBondContact O-N 3.21Å; Y646-L649 PolarHBondContact O-N 3.43Å; Y646-K650 HydrophobicContact CD2-CG 4.29Å; Y646-K650 HydrophobicContact CE1-CG 4.21Å; Y646-K650 HydrophobicContact CE2-CD 4.4Å; Y646-K650 HydrophobicContact CE2-CG 3.76Å; Y646-K650 WeakPolarHBondContact O-CB 3.33Å; Y646-K650 PolarHBondContact O-N 2.97Å; Y646-P667 HydrophobicContact CD2-CB 3.98Å; Y646-P667 HydrophobicContact CE2-CB 4.11Å; Y646-Y668 WeakPolarHBondContact CD2-O 3.24Å; Y646-K669 HydrophobicContact CE2-CG 4.31Å; Y646-I670 HydrophobicContact CG-CG1 4.42Å
647	Q	97.1	Very high	95.6	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-43.5	175.5	-69.1	-175.7	-62.6	0	0	111.9	F222 L643 L644 A645 K650 Q651 I820	F222-Q647 HydrophobicContact CE2-CB 4.21Å; F222-Q647 HydrophobicContact CE2-CG 4.17Å; F222-Q647 HydrophobicContact CZ-CB 4.13Å; F222-Q647 HydrophobicContact CZ-CG 4.46Å; F222-Q647 PolarHBondContact O-NE2 2.98Å; L643-Q647 PolarHBondContact O-N 2.81Å; L644-Q647 PolarHBondContact O-N 3.21Å; A645-Q647 VanDerWaalsContact C-N 3.34Å; A645-Q647 PolarHBondContact O-N 3.34Å; Q647-K650 PolarHBondContact O-N 3.06Å; Q647-Q651 WeakPolarHBondContact O-CB 3.41Å; Q647-Q651 PolarHBondContact O-N 3.26Å; Q647-I820 HydrophobicContact CB-CG2 3.82Å
648	F	96.8	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-45.9	176.6	-168.7	-83.5	0	0	0	112	L644 A645 Q651 L652 L736 L737 V817 V821 L842	L644-F648 WeakPolarHBondContact O-CB 3.47Å; L644-F648 PolarHBondContact O-N 3.38Å; A645-F648 WeakPolarHBondContact O-CB 3.22Å; A645-F648 PolarHBondContact O-N 2.99Å; A645-F648 VanDerWaalsContact O-N 3.12Å; F648-Q651 PolarHBondContact O-N 3.02Å; F648-L652 HydrophobicContact CD1-CD1 3.93Å; F648-L652 HydrophobicContact CD1-CG 4.49Å; F648-L652 HydrophobicContact CE1-CD1 3.57Å; F648-L652 HydrophobicContact CE1-CG 4.36Å; F648-L652 PolarHBondContact O-N 3.18Å; F648-L736 HydrophobicContact CE1-CB 4.27Å; F648-L736 HydrophobicContact CZ-CB 4.01Å; F648-L737 HydrophobicContact CD1-CB 4.25Å; F648-L737 HydrophobicContact CD1-CD1 4.23Å; F648-L737 HydrophobicContact CD1-CD2 4.1Å; F648-L737 HydrophobicContact CD1-CG 4.43Å; F648-L737 HydrophobicContact CD2-CD1 3.92Å; F648-L737 HydrophobicContact CE1-CB 3.87Å; F648-L737 HydrophobicContact CE1-CD1 4.35Å; F648-L737 HydrophobicContact CE1-CG 4.49Å; F648-L737 HydrophobicContact CE2-CD1 4.03Å; F648-L737 HydrophobicContact CG-CD1 4.02Å; F648-L737 HydrophobicContact CG-CD2 4.35Å; F648-L737 HydrophobicContact CZ-CB 4.15Å; F648-L737 HydrophobicContact CZ-CD1 4.26Å; F648-V817 HydrophobicContact CD2-CG1 3.64Å; F648-V817 HydrophobicContact CE1-CG1 4.38Å; F648-V817 HydrophobicContact CE2-CG1 3.23Å; F648-V817 HydrophobicContact CG-CG1 4.37Å; F648-V817 HydrophobicContact CZ-CG1 3.65Å; F648-V821 HydrophobicContact CD2-CG2 3.94Å; F648-V821 HydrophobicContact CE2-CG2 4.25Å; F648-L842 HydrophobicContact CE2-CD1 4.2Å; F648-L842 HydrophobicContact CE2-CD2 4.4Å; F648-L842 HydrophobicContact CZ-CD1 4.32Å
649	L	97.7	Very high	96.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-42.6	175.8	-89	76.9	0	0	0	111.8	A645 Y646 Q651 L652 Q653 I665 P667 Y730 I733 L737 F760	A645-L649 HydrophobicContact CB-CD1 4.41Å; A645-L649 WeakPolarHBondContact O-CB 3.48Å; A645-L649 WeakPolarHBondContact O-CD1 3.19Å; A645-L649 PolarHBondContact O-N 3.12Å; Y646-L649 PolarHBondContact O-N 3.43Å; L649-Q651 VanDerWaalsContact C-N 3.34Å; L649-Q651 PolarHBondContact O-N 3.44Å; L649-L652 PolarHBondContact O-N 3.19Å; L649-Q653 WeakPolarHBondContact O-CB 3.5Å; L649-Q653 PolarHBondContact O-N 3.12Å; L649-I665 HydrophobicContact CB-CD1 4.43Å; L649-I665 VanDerWaalsContact O-CD1 3.29Å; L649-I665 WeakPolarHBondContact O-CD1 3.26Å; L649-P667 HydrophobicContact CB-CB 3.82Å; L649-P667 HydrophobicContact CB-CG 4Å; L649-P667 HydrophobicContact CD2-CB 4.45Å; L649-Y730 HydrophobicContact CD2-CE1 4.09Å; L649-I733 HydrophobicContact CD1-CD1 4.31Å; L649-I733 HydrophobicContact CD1-CG2 3.88Å; L649-I733 HydrophobicContact CD2-CD1 3.98Å; L649-I733 HydrophobicContact CG-CD1 3.69Å; L649-I733 HydrophobicContact CG-CG1 4.31Å; L649-I733 HydrophobicContact CG-CG2 4.43Å; L649-L737 HydrophobicContact CD1-CD2 4.34Å; L649-F760 HydrophobicContact CD1-CE1 4.34Å; L649-F760 HydrophobicContact CD1-CZ 4.27Å; L649-F760 HydrophobicContact CD2-CE2 4.18Å; L649-F760 HydrophobicContact CD2-CZ 3.96Å
650	K	97.6	Very high	96.7	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.287	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-38.1	175.1	-82.7	-70.4	174.4	-165	0	112.5	F222 Y646 Q647 Q653 S654 P667	F222-K650 HydrophobicContact CE2-CB 3.72Å; F222-K650 HydrophobicContact CE2-CG 4.47Å; F222-K650 HydrophobicContact CZ-CB 4.2Å; Y646-K650 HydrophobicContact CD2-CG 4.29Å; Y646-K650 HydrophobicContact CE1-CG 4.21Å; Y646-K650 HydrophobicContact CE2-CD 4.4Å; Y646-K650 HydrophobicContact CE2-CG 3.76Å; Y646-K650 WeakPolarHBondContact O-CB 3.33Å; Y646-K650 PolarHBondContact O-N 2.97Å; Q647-K650 PolarHBondContact O-N 3.06Å; K650-Q653 PolarHBondContact O-N 3.43Å; K650-S654 PolarHBondContact O-N 3.42Å; K650-S654 VanDerWaalsContact O-N 3.08Å; K650-P667 HydrophobicContact CD-CB 4.14Å; K650-P667 HydrophobicContact CD-CG 4.03Å; K650-P667 HydrophobicContact CG-CB 3.92Å; K650-P667 HydrophobicContact CG-CG 4.19Å
651	Q	97.6	Very high	97	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-44.2	177	-169.3	60.8	66.6	0	0	111.5	Y223 Q647 F648 L649 S654 I655 K816 V817 I820	Y223-Q651 PolarHBondContact OH-OE1 3.37Å; Q647-Q651 WeakPolarHBondContact O-CB 3.41Å; Q647-Q651 PolarHBondContact O-N 3.26Å; F648-Q651 PolarHBondContact O-N 3.02Å; L649-Q651 VanDerWaalsContact C-N 3.34Å; L649-Q651 PolarHBondContact O-N 3.44Å; Q651-S654 PolarHBondContact O-N 3.01Å; Q651-I655 HydrophobicContact CG-CD1 4.04Å; Q651-I655 WeakPolarHBondContact O-CD1 3.33Å; Q651-I655 VanDerWaalsContact O-CG1 3.24Å; Q651-I655 WeakPolarHBondContact O-CG1 3.3Å; Q651-I655 PolarHBondContact O-N 3.28Å; Q651-K816 HydrophobicContact CG-CB 4.43Å; Q651-V817 HydrophobicContact CG-CG2 3.88Å; Q651-I820 HydrophobicContact CB-CD1 3.63Å; Q651-I820 HydrophobicContact CG-CD1 3.79Å
652	L	97.9	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-38.9	174.4	-72.3	179.1	0	0	0	112.7	F648 L649 S654 I655 W656 I733 L736 A810 V817	F648-L652 HydrophobicContact CD1-CD1 3.93Å; F648-L652 HydrophobicContact CD1-CG 4.49Å; F648-L652 HydrophobicContact CE1-CD1 3.57Å; F648-L652 HydrophobicContact CE1-CG 4.36Å; F648-L652 PolarHBondContact O-N 3.18Å; L649-L652 PolarHBondContact O-N 3.19Å; L652-S654 VanDerWaalsContact C-N 3.32Å; L652-S654 PolarHBondContact O-N 3.27Å; L652-I655 HydrophobicContact CD2-CD1 4.36Å; L652-I655 PolarHBondContact O-N 3.44Å; L652-W656 HydrophobicContact CB-CD2 4.5Å; L652-W656 HydrophobicContact CB-CE3 4.41Å; L652-W656 HydrophobicContact CB-CH2 4.15Å; L652-W656 HydrophobicContact CB-CZ2 4.21Å; L652-W656 HydrophobicContact CB-CZ3 4.26Å; L652-W656 HydrophobicContact CD1-CH2 4.12Å; L652-W656 HydrophobicContact CD1-CZ2 4.15Å; L652-W656 HydrophobicContact CD2-CZ2 4.3Å; L652-W656 HydrophobicContact CG-CZ2 4.46Å; L652-W656 PolarHBondContact O-N 2.96Å; L652-I733 HydrophobicContact CD1-CG1 4.16Å; L652-L736 HydrophobicContact CD1-CD1 4.27Å; L652-A810 HydrophobicContact CD2-CB 4.02Å; L652-V817 HydrophobicContact CD2-CG2 4.16Å
653	Q	98.2	Very high	97.4	Very high	36 Å²	36	41.6 Å²	41.6	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-47.9	173.9	178.1	164.3	70.9	0	0	111.1	L649 K650 Q657 I665 P667	L649-Q653 WeakPolarHBondContact O-CB 3.5Å; L649-Q653 PolarHBondContact O-N 3.12Å; K650-Q653 PolarHBondContact O-N 3.43Å; Q653-Q657 WeakPolarHBondContact O-CB 3.42Å; Q653-Q657 WeakPolarHBondContact O-CG 3.36Å; Q653-Q657 PolarHBondContact O-N 3.32Å; Q653-Q657 VanDerWaalsContact O-N 3.1Å; Q653-I665 HydrophobicContact CB-CD1 3.91Å; Q653-I665 HydrophobicContact CB-CG1 4.12Å; Q653-I665 PolarHBondContact NE2-O 3.48Å; Q653-P667 HydrophobicContact CB-CG 4.41Å
654	S	97.3	Very high	97.5	Very high	60 Å²	60	43.6 Å²	43.6	42%	0.42	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-42.3	177.1	-174.9	0	0	0	0	112.4	K650 Q651 L652 Q657 Q658	K650-S654 PolarHBondContact O-N 3.42Å; K650-S654 VanDerWaalsContact O-N 3.08Å; Q651-S654 PolarHBondContact O-N 3.01Å; L652-S654 VanDerWaalsContact C-N 3.32Å; L652-S654 PolarHBondContact O-N 3.27Å; S654-Q657 PolarHBondContact O-N 2.96Å; S654-Q658 WeakPolarHBondContact O-CB 3.42Å; S654-Q658 PolarHBondContact O-N 3.3Å
655	I	97.8	Very high	97.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-47.7	178.5	-71.4	161.1	0	0	0	111.8	Q651 L652 Q657 Q658 E659 A809 H813 V817	Q651-I655 HydrophobicContact CG-CD1 4.04Å; Q651-I655 WeakPolarHBondContact O-CD1 3.33Å; Q651-I655 VanDerWaalsContact O-CG1 3.24Å; Q651-I655 WeakPolarHBondContact O-CG1 3.3Å; Q651-I655 PolarHBondContact O-N 3.28Å; L652-I655 HydrophobicContact CD2-CD1 4.36Å; L652-I655 PolarHBondContact O-N 3.44Å; I655-Q657 VanDerWaalsContact C-N 3.35Å; I655-Q657 PolarHBondContact O-N 3.5Å; I655-Q658 PolarHBondContact O-N 2.49Å; I655-E659 HydrophobicContact CG2-CG 4.5Å; I655-E659 WeakPolarHBondContact O-CB 3.34Å; I655-E659 WeakPolarHBondContact O-CG 3.39Å; I655-E659 PolarHBondContact O-N 2.88Å; I655-A809 HydrophobicContact CG2-CB 4.28Å; I655-A809 WeakPolarHBondContact CG2-O 3.35Å; I655-H813 HydrophobicContact CD1-CB 3.54Å; I655-H813 HydrophobicContact CG1-CB 3.62Å; I655-H813 HydrophobicContact CG2-CB 4.16Å; I655-V817 HydrophobicContact CD1-CG2 3.52Å
656	W	98.3	Very high	97.6	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.011	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-34	-179.7	-62.6	-32.5	0	0	0	112.3	L652 R660 V661 L663 I665 L732 I733 G806	L652-W656 HydrophobicContact CB-CD2 4.5Å; L652-W656 HydrophobicContact CB-CE3 4.41Å; L652-W656 HydrophobicContact CB-CH2 4.15Å; L652-W656 HydrophobicContact CB-CZ2 4.21Å; L652-W656 HydrophobicContact CB-CZ3 4.26Å; L652-W656 HydrophobicContact CD1-CH2 4.12Å; L652-W656 HydrophobicContact CD1-CZ2 4.15Å; L652-W656 HydrophobicContact CD2-CZ2 4.3Å; L652-W656 HydrophobicContact CG-CZ2 4.46Å; L652-W656 PolarHBondContact O-N 2.96Å; W656-R660 CarbonylContact O-C 3.48Å; W656-R660 WeakPolarHBondContact O-CA 3.29Å; W656-R660 PolarHBondContact O-N 3.35Å; W656-V661 HydrophobicContact CB-CB 4.37Å; W656-V661 PolarHBondContact O-N 2.94Å; W656-L663 HydrophobicContact CB-CB 4.5Å; W656-L663 HydrophobicContact CD2-CB 4.01Å; W656-L663 HydrophobicContact CD2-CD1 3.63Å; W656-L663 HydrophobicContact CD2-CG 4.46Å; W656-L663 HydrophobicContact CE3-CB 3.71Å; W656-L663 HydrophobicContact CE3-CD1 3.94Å; W656-L663 HydrophobicContact CE3-CG 4.5Å; W656-L663 HydrophobicContact CG-CB 4.35Å; W656-L663 HydrophobicContact CG-CD1 4.09Å; W656-L663 HydrophobicContact CH2-CD1 4.13Å; W656-L663 HydrophobicContact CZ2-CD1 3.85Å; W656-L663 HydrophobicContact CZ3-CB 4.22Å; W656-L663 HydrophobicContact CZ3-CD1 4.16Å; W656-I665 HydrophobicContact CE3-CD1 4.25Å; W656-I665 HydrophobicContact CE3-CG1 4.49Å; W656-I665 HydrophobicContact CZ3-CD1 3.8Å; W656-I665 HydrophobicContact CZ3-CG1 4.2Å; W656-I665 HydrophobicContact CZ3-CG2 3.9Å; W656-L732 HydrophobicContact CH2-CB 4.21Å; W656-L732 HydrophobicContact CH2-CD1 4.43Å; W656-L732 HydrophobicContact CZ2-CB 4.11Å; W656-L732 HydrophobicContact CZ2-CD1 3.81Å; W656-I733 HydrophobicContact CH2-CG1 4.38Å; W656-G806 PolarHBondContact NE1-O 2.9Å
657	Q	97.7	Very high	97.6	Very high	133 Å²	133	47.1 Å²	47.1	62%	0.621	22%	0.22	S	C	*	.	H	α-helix	trans	-64.2	-44	170.4	-73.1	170.5	-9.8	0	0	112.2	Q653 S654 I655 R660	Q653-Q657 WeakPolarHBondContact O-CB 3.42Å; Q653-Q657 WeakPolarHBondContact O-CG 3.36Å; Q653-Q657 PolarHBondContact O-N 3.32Å; Q653-Q657 VanDerWaalsContact O-N 3.1Å; S654-Q657 PolarHBondContact O-N 2.96Å; I655-Q657 VanDerWaalsContact C-N 3.35Å; I655-Q657 PolarHBondContact O-N 3.5Å; Q657-R660 PolarHBondContact O-N 2.7Å
658	Q	96.8	Very high	97.5	Very high	117 Å²	117	47.8 Å²	47.8	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-45.9	177.1	177	174.1	-9.5	0	0	112.2	S654 I655 R660	S654-Q658 WeakPolarHBondContact O-CB 3.42Å; S654-Q658 PolarHBondContact O-N 3.3Å; I655-Q658 PolarHBondContact O-N 2.49Å; Q658-R660 PolarHBondContact O-N 2.9Å
659	E	97.8	Very high	97.4	Very high	57 Å²	57	49.8 Å²	49.8	27%	0.266	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.3	179	-63.9	-68.5	143.7	0	0	113.2	I655 V661 A809 K812 H813	I655-E659 HydrophobicContact CG2-CG 4.5Å; I655-E659 WeakPolarHBondContact O-CB 3.34Å; I655-E659 WeakPolarHBondContact O-CG 3.39Å; I655-E659 PolarHBondContact O-N 2.88Å; E659-V661 HydrophobicContact CB-CG2 4.12Å; E659-V661 PolarHBondContact O-N 3.15Å; E659-A809 HydrophobicContact CB-CB 3.77Å; E659-A809 HydrophobicContact CG-CB 3.78Å; E659-K812 WeakPolarHBondContact OE2-CD 3.5Å; E659-K812 WeakPolarHBondContact OE2-CE 3.3Å; E659-K812 IonicContact OE2-NZ 2.78Å; E659-K812 PolarHBondContact OE2-NZ 3.43Å; E659-H813 IonicContact OE1-CD2 3.3Å; E659-H813 IonicContact OE1-CE1 3.97Å; E659-H813 IonicContact OE1-NE2 3.73Å; E659-H813 PolarHBondContact OE1-NE2 2.84Å
660	R	98	Very high	97.3	Very high	225 Å²	225	50.5 Å²	50.5	85%	0.849	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	28	-178.8	-55.1	-179.1	177.9	-178.5	-1.9	114.8	W656 Q657 Q658	W656-R660 CarbonylContact O-C 3.48Å; W656-R660 WeakPolarHBondContact O-CA 3.29Å; W656-R660 PolarHBondContact O-N 3.35Å; Q657-R660 PolarHBondContact O-N 2.7Å; Q658-R660 PolarHBondContact O-N 2.9Å
661	V	98.2	Very high	97.2	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.103	22%	0.223	C	C	.	.			trans	-78.2	123	172.2	-169.9	0	0	0	0	108	W656 E659 L663 Q805 A809	W656-V661 HydrophobicContact CB-CB 4.37Å; W656-V661 PolarHBondContact O-N 2.94Å; E659-V661 HydrophobicContact CB-CG2 4.12Å; E659-V661 PolarHBondContact O-N 3.15Å; V661-L663 HydrophobicContact CG1-CD1 4.13Å; V661-L663 HydrophobicContact CG1-CG 3.9Å; V661-L663 PolarHBondContact O-N 3.48Å; V661-Q805 HydrophobicContact CG1-CB 3.75Å; V661-Q805 HydrophobicContact CG2-CB 4.27Å; V661-A809 HydrophobicContact CG2-CB 3.83Å
662	P	97.4	Very high	97	Very high	53 Å²	53	47.3 Å²	47.3	34%	0.344	22%	0.221	S	C	.	.			trans	-81.7	58.5	-176.3	35.3	-35.9	0	0	0	111.1	Q725 L802	P662-Q725 VanDerWaalsContact O-CD 3.3Å; P662-Q725 VanDerWaalsContact O-CG 3.27Å; P662-Q725 WeakPolarHBondContact O-CG 3.4Å; P662-L802 HydrophobicContact CG-CD2 3.76Å
663	L	98.3	Very high	96.6	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.105	22%	0.223	C	C	.	.			trans	-92.1	137.4	168	-75.4	178	0	0	0	109.7	W656 V661 A728 L732 L802	W656-L663 HydrophobicContact CB-CB 4.5Å; W656-L663 HydrophobicContact CD2-CB 4.01Å; W656-L663 HydrophobicContact CD2-CD1 3.63Å; W656-L663 HydrophobicContact CD2-CG 4.46Å; W656-L663 HydrophobicContact CE3-CB 3.71Å; W656-L663 HydrophobicContact CE3-CD1 3.94Å; W656-L663 HydrophobicContact CE3-CG 4.5Å; W656-L663 HydrophobicContact CG-CB 4.35Å; W656-L663 HydrophobicContact CG-CD1 4.09Å; W656-L663 HydrophobicContact CH2-CD1 4.13Å; W656-L663 HydrophobicContact CZ2-CD1 3.85Å; W656-L663 HydrophobicContact CZ3-CB 4.22Å; W656-L663 HydrophobicContact CZ3-CD1 4.16Å; V661-L663 HydrophobicContact CG1-CD1 4.13Å; V661-L663 HydrophobicContact CG1-CG 3.9Å; V661-L663 PolarHBondContact O-N 3.48Å; L663-A728 HydrophobicContact CD2-CB 3.47Å; L663-A728 VanDerWaalsContact CD2-CB 3.47Å; L663-L732 HydrophobicContact CD1-CD1 3.73Å; L663-L802 HydrophobicContact CD2-CB 3.85Å; L663-L802 HydrophobicContact CD2-CD1 4.42Å
664	W	98.5	Very high	96.2	Very high	55 Å²	55	47.3 Å²	47.3	21%	0.208	22%	0.224	C	C	.	.			trans	-111.8	132.2	-178.4	-170.8	109.3	0	0	0	110.3	K666 Q725 S726 Y730 H754 I756	W664-K666 HydrophobicContact CH2-CB 3.73Å; W664-K666 HydrophobicContact CH2-CD 4.14Å; W664-K666 HydrophobicContact CH2-CG 4.37Å; W664-K666 HydrophobicContact CZ2-CB 4.46Å; W664-K666 HydrophobicContact CZ2-CD 4.16Å; W664-K666 HydrophobicContact CZ3-CB 3.9Å; W664-Q725 HydrophobicContact CB-CB 4.24Å; W664-Q725 PolarHBondContact N-O 3.41Å; W664-Q725 VanDerWaalsContact N-O 3.08Å; W664-S726 WeakPolarHBondContact O-CA 3.49Å; W664-Y730 HydrophobicContact CZ3-CE2 4.42Å; W664-H754 AromaticContact CD1-CD2 3.67Å; W664-H754 AromaticContact CD1-NE2 3.41Å; W664-H754 HydrophobicContact CD2-CB 4.25Å; W664-H754 AromaticContact CD2-CD2 3.34Å; W664-H754 AromaticContact CD2-CG 3.83Å; W664-H754 AromaticContact CD2-NE2 3.85Å; W664-H754 AromaticContact CE2-CD2 3.36Å; W664-H754 AromaticContact CE2-CE1 3.78Å; W664-H754 AromaticContact CE2-CG 3.62Å; W664-H754 AromaticContact CE2-ND1 3.86Å; W664-H754 AromaticContact CE2-NE2 3.48Å; W664-H754 HydrophobicContact CE3-CB 3.85Å; W664-H754 AromaticContact CE3-CD2 3.8Å; W664-H754 AromaticContact CE3-CG 3.96Å; W664-H754 AromaticContact CG-CD2 3.55Å; W664-H754 AromaticContact CG-NE2 3.81Å; W664-H754 HydrophobicContact CH2-CB 3.5Å; W664-H754 AromaticContact CH2-CG 3.66Å; W664-H754 HydrophobicContact CZ2-CB 3.95Å; W664-H754 AromaticContact CZ2-CD2 3.81Å; W664-H754 AromaticContact CZ2-CE1 3.88Å; W664-H754 AromaticContact CZ2-CG 3.55Å; W664-H754 AromaticContact CZ2-ND1 3.58Å; W664-H754 HydrophobicContact CZ3-CB 3.47Å; W664-H754 VanDerWaalsContact CZ3-CB 3.47Å; W664-H754 AromaticContact CZ3-CG 3.89Å; W664-H754 AromaticContact NE1-CD2 3.56Å; W664-H754 AromaticContact NE1-CE1 3.64Å; W664-H754 AromaticContact NE1-NE2 3.19Å; W664-H754 PolarHBondContact NE1-NE2 3.21Å; W664-H754 VanDerWaalsContact NE1-NE2 3.19Å; W664-I756 HydrophobicContact CH2-CD1 3.84Å; W664-I756 HydrophobicContact CH2-CG1 3.68Å; W664-I756 HydrophobicContact CZ3-CD1 4.31Å; W664-I756 HydrophobicContact CZ3-CG1 3.62Å
665	I	97.9	Very high	95.7	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	22%	0.216	C	C	.	.			trans	-147.5	152.6	171.4	56.2	168.5	0	0	0	110.1	L649 Q653 W656 P667 Y730 I733	L649-I665 HydrophobicContact CB-CD1 4.43Å; L649-I665 VanDerWaalsContact O-CD1 3.29Å; L649-I665 WeakPolarHBondContact O-CD1 3.26Å; Q653-I665 HydrophobicContact CB-CD1 3.91Å; Q653-I665 HydrophobicContact CB-CG1 4.12Å; Q653-I665 PolarHBondContact NE2-O 3.48Å; W656-I665 HydrophobicContact CE3-CD1 4.25Å; W656-I665 HydrophobicContact CE3-CG1 4.49Å; W656-I665 HydrophobicContact CZ3-CD1 3.8Å; W656-I665 HydrophobicContact CZ3-CG1 4.2Å; W656-I665 HydrophobicContact CZ3-CG2 3.9Å; I665-P667 HydrophobicContact CD1-CG 4.43Å; I665-P667 WeakPolarHBondContact O-CD 2.96Å; I665-Y730 HydrophobicContact CB-CE2 4.16Å; I665-Y730 HydrophobicContact CG2-CD2 4.12Å; I665-Y730 HydrophobicContact CG2-CE2 3.95Å; I665-Y730 HydrophobicContact CG2-CG 4.47Å; I665-I733 HydrophobicContact CB-CD1 4.31Å; I665-I733 HydrophobicContact CD1-CD1 4.02Å; I665-I733 HydrophobicContact CG2-CD1 3.64Å
666	K	96.9	Very high	95.3	Very high	108 Å²	108	49.1 Å²	49.1	47%	0.47	23%	0.232	S	C	.	.			trans	-118.7	85.6	179.8	-162.8	85	171.5	-157.5	0	111.2	W664 Y668 Y730 I756	W664-K666 HydrophobicContact CH2-CB 3.73Å; W664-K666 HydrophobicContact CH2-CD 4.14Å; W664-K666 HydrophobicContact CH2-CG 4.37Å; W664-K666 HydrophobicContact CZ2-CB 4.46Å; W664-K666 HydrophobicContact CZ2-CD 4.16Å; W664-K666 HydrophobicContact CZ3-CB 3.9Å; K666-Y668 PolarHBondContact O-N 2.73Å; K666-Y730 PolarHBondContact N-OH 3.03Å; K666-Y730 PolarHBondContact O-OH 2.74Å; K666-I756 HydrophobicContact CB-CD1 4.32Å; K666-I756 HydrophobicContact CB-CG1 4.15Å; K666-I756 HydrophobicContact CB-CG2 4.15Å; K666-I756 HydrophobicContact CG-CD1 4.49Å
667	P	96.3	Very high	94.9	Very high	12 Å²	12	49.2 Å²	49.2	8%	0.078	23%	0.233	C	C	.	.			trans	-76	111.5	172.7	-2.6	19.2	0	0	0	109.2	Y646 L649 K650 Q653 I665	Y646-P667 HydrophobicContact CD2-CB 3.98Å; Y646-P667 HydrophobicContact CE2-CB 4.11Å; L649-P667 HydrophobicContact CB-CB 3.82Å; L649-P667 HydrophobicContact CB-CG 4Å; L649-P667 HydrophobicContact CD2-CB 4.45Å; K650-P667 HydrophobicContact CD-CB 4.14Å; K650-P667 HydrophobicContact CD-CG 4.03Å; K650-P667 HydrophobicContact CG-CB 3.92Å; K650-P667 HydrophobicContact CG-CG 4.19Å; Q653-P667 HydrophobicContact CB-CG 4.41Å; I665-P667 HydrophobicContact CD1-CG 4.43Å; I665-P667 WeakPolarHBondContact O-CD 2.96Å
668	Y	94.4	Very high	94.7	Very high	18 Å²	18	42.9 Å²	42.9	7%	0.071	20%	0.203	C	C	.	.			trans	-93.2	140.4	-179.4	56.5	-92.2	0	0	0	110.9	Y646 K666 I670 I680 V683 I758 D759 F760	Y646-Y668 WeakPolarHBondContact CD2-O 3.24Å; K666-Y668 PolarHBondContact O-N 2.73Å; Y668-I670 HydrophobicContact CD2-CD1 3.88Å; Y668-I670 HydrophobicContact CE2-CD1 3.52Å; Y668-I670 PolarHBondContact O-N 3.26Å; Y668-I680 HydrophobicContact CD2-CG2 3.51Å; Y668-I680 HydrophobicContact CE2-CG2 3.54Å; Y668-V683 HydrophobicContact CD1-CG2 4.26Å; Y668-I758 HydrophobicContact CE1-CB 4.45Å; Y668-I758 HydrophobicContact CE1-CG2 3.91Å; Y668-I758 WeakPolarHBondContact OH-CA 3.38Å; Y668-D759 PolarHBondContact OH-N 3.28Å; Y668-F760 HydrophobicContact CE1-CE2 4.12Å
669	K	94.3	Very high	94.6	Very high	41 Å²	41	37.4 Å²	37.4	18%	0.178	18%	0.178	C	C	.	.			trans	-67.3	132.6	-169.9	-64.5	162.4	-159.6	138.4	0	112.7	T436 E438 Y646 E681	T436-K669 WeakPolarHBondContact O-CD 3.37Å; T436-K669 WeakPolarHBondContact O-CE 3.26Å; T436-K669 PolarHBondContact O-NZ 2.92Å; E438-K669 WeakPolarHBondContact OE1-CE 3.21Å; E438-K669 IonicContact OE1-NZ 2.71Å; E438-K669 PolarHBondContact OE1-NZ 2.8Å; Y646-K669 HydrophobicContact CE2-CG 4.31Å; K669-E681 HydrophobicContact CB-CB 3.97Å; K669-E681 WeakPolarHBondContact CB-OE2 3.48Å; K669-E681 WeakPolarHBondContact CD-OE1 3.4Å; K669-E681 WeakPolarHBondContact CD-OE2 3.32Å; K669-E681 WeakPolarHBondContact CE-OE1 3.35Å; K669-E681 WeakPolarHBondContact CG-OE2 3.47Å; K669-E681 PolarHBondContact N-OE2 3.01Å; K669-E681 IonicContact NZ-OE1 3.06Å; K669-E681 PolarHBondContact NZ-OE1 3.05Å; K669-E681 IonicContact NZ-OE2 3.45Å; K669-E681 PolarHBondContact O-N 3.27Å
670	I	95.8	Very high	94.5	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.087	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.7	173.3	-52.3	-61.7	0	0	0	109.5	L639 E642 L643 Y646 Y668 I680	L639-I670 HydrophobicContact CB-CG2 3.86Å; L639-I670 HydrophobicContact CD1-CG2 4.3Å; E642-I670 HydrophobicContact CB-CD1 3.98Å; E642-I670 HydrophobicContact CB-CG1 4.09Å; E642-I670 HydrophobicContact CB-CG2 4.12Å; L643-I670 HydrophobicContact CB-CB 4.31Å; L643-I670 HydrophobicContact CB-CG2 3.99Å; L643-I670 HydrophobicContact CD1-CB 4.28Å; Y646-I670 HydrophobicContact CG-CG1 4.42Å; Y668-I670 HydrophobicContact CD2-CD1 3.88Å; Y668-I670 HydrophobicContact CE2-CD1 3.52Å; Y668-I670 PolarHBondContact O-N 3.26Å; I670-I680 HydrophobicContact CD1-CD1 4.45Å; I670-I680 HydrophobicContact CD1-CG1 4.05Å; I670-I680 HydrophobicContact CD1-CG2 4.16Å
671	L	95	Very high	94.3	Very high	10 Å²	10	27 Å²	27	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	96.7	179.1	-176.7	61.7	0	0	0	110.8	L259 W262 P435 M673 G678 M679	L259-L671 HydrophobicContact CD2-CD1 3.36Å; W262-L671 HydrophobicContact CE3-CD1 4.03Å; W262-L671 HydrophobicContact CE3-CG 4.48Å; W262-L671 HydrophobicContact CH2-CD2 4.4Å; W262-L671 HydrophobicContact CZ3-CD1 3.84Å; W262-L671 HydrophobicContact CZ3-CD2 3.89Å; W262-L671 HydrophobicContact CZ3-CG 4.08Å; P435-L671 HydrophobicContact CB-CD1 4.29Å; P435-L671 HydrophobicContact CB-CD2 4.07Å; P435-L671 HydrophobicContact CG-CD2 4.18Å; L671-M673 HydrophobicContact CD2-SD 4.47Å; L671-M673 HydrophobicContact CG-CG 4.22Å; L671-G678 CarbonylContact O-C 3.48Å; L671-G678 WeakPolarHBondContact O-CA 3.46Å; L671-M679 HydrophobicContact CB-CB 4.08Å; L671-M679 HydrophobicContact CD2-CB 4.25Å; L671-M679 HydrophobicContact CD2-SD 4.29Å; L671-M679 PolarHBondContact N-O 3.25Å; L671-M679 PolarHBondContact O-N 2.98Å
672	V	94.8	Very high	94	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.5	173.3	175.6	0	0	0	0	109.5	L263 A266 L639 R640 L643	L263-V672 HydrophobicContact CD2-CB 4.06Å; L263-V672 HydrophobicContact CD2-CG1 4.36Å; A266-V672 HydrophobicContact CB-CG1 3.49Å; A266-V672 VanDerWaalsContact CB-CG1 3.49Å; L639-V672 HydrophobicContact CB-CG2 4.15Å; R640-V672 HydrophobicContact CG-CG1 3.91Å; R640-V672 HydrophobicContact CG-CG2 4.24Å; L643-V672 HydrophobicContact CB-CG2 3.94Å; L643-V672 HydrophobicContact CD2-CB 4.35Å; L643-V672 HydrophobicContact CD2-CG2 3.7Å; L643-V672 HydrophobicContact CG-CG2 4.43Å
673	M	89.7	Confident	93.7	Very high	11 Å²	11	25.2 Å²	25.2	5%	0.054	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-28.9	-179.6	-70.5	-175.3	-84.5	0	0	113.2	W262 V394 F398 L671 S677 M679	W262-M673 HydrophobicContact CD2-CB 4.26Å; W262-M673 HydrophobicContact CD2-CG 3.71Å; W262-M673 HydrophobicContact CE3-CG 3.81Å; W262-M673 HydrophobicContact CG-CB 4.29Å; W262-M673 HydrophobicContact CG-CG 4.23Å; W262-M673 HydrophobicContact CH2-CG 4.03Å; W262-M673 HydrophobicContact CH2-SD 3.75Å; W262-M673 HydrophobicContact CZ2-CG 3.96Å; W262-M673 HydrophobicContact CZ2-SD 3.74Å; W262-M673 HydrophobicContact CZ3-CG 3.97Å; W262-M673 HydrophobicContact CZ3-SD 4.22Å; V394-M673 HydrophobicContact CG1-SD 3.5Å; V394-M673 VanDerWaalsContact CG1-SD 3.5Å; V394-M673 HydrophobicContact CG2-SD 4.34Å; F398-M673 HydrophobicContact CE1-CE 3.76Å; F398-M673 HydrophobicContact CE2-CB 4.27Å; F398-M673 HydrophobicContact CE2-SD 4.31Å; F398-M673 HydrophobicContact CZ-CB 3.82Å; F398-M673 HydrophobicContact CZ-CE 3.41Å; F398-M673 VanDerWaalsContact CZ-CE 3.41Å; F398-M673 HydrophobicContact CZ-CG 4.35Å; F398-M673 HydrophobicContact CZ-SD 3.67Å; L671-M673 HydrophobicContact CD2-SD 4.47Å; L671-M673 HydrophobicContact CG-CG 4.22Å; M673-S677 PolarHBondContact N-O 3.24Å; M673-S677 VanDerWaalsContact N-O 3.11Å; M673-M679 HydrophobicContact CE-CB 3.78Å; M673-M679 HydrophobicContact CE-CE 3.86Å; M673-M679 HydrophobicContact CE-CG 3.38Å; M673-M679 HydrophobicContact CE-SD 3.57Å; M673-M679 VanDerWaalsContact CE-SD 3.57Å; M673-M679 HydrophobicContact SD-CE 4.44Å; M673-M679 HydrophobicContact SD-SD 4.27Å
674	S	88.6	Confident	93.3	Very high	25 Å²	25	27.4 Å²	27.4	18%	0.175	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-178.3	165.2	64.6	0	0	0	0	109.1	D676 S677	S674-D676 WeakPolarHBondContact CB-OD1 3.45Å; S674-D676 PolarHBondContact O-N 2.7Å; S674-D676 PolarHBondContact OG-N 3.39Å; S674-D676 VanDerWaalsContact OG-N 3.14Å; S674-D676 PolarHBondContact OG-OD1 2.74Å; S674-S677 PolarHBondContact N-O 2.99Å; S674-S677 VanDerWaalsContact N-O 3.12Å; S674-S677 PolarHBondContact OG-N 3.34Å; S674-S677 PolarHBondContact OG-OG 3.37Å
675	S	86.8	Confident	92.8	Very high	38 Å²	38	27 Å²	27	27%	0.266	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.1	167.7	35.6	0	0	0	0	114.2	S269 D638	S269-S675 WeakPolarHBondContact CB-OG 3.27Å; S269-S675 WeakPolarHBondContact OG-CB 3.44Å; S269-S675 PolarHBondContact OG-OG 3.48Å; D638-S675 WeakPolarHBondContact CB-O 3.49Å
676	D	88.9	Confident	92.4	Very high	62 Å²	62	26.9 Å²	26.9	33%	0.332	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	8	175.5	82	-49.9	0	0	0	113.7	K402 G636 D637 S674	K402-D676 IonicContact NZ-OD2 3.89Å; K402-D676 PolarHBondContact NZ-OD2 3.02Å; G636-D676 CarbonylContact C-O 3.27Å; G636-D676 VanDerWaalsContact C-O 3.26Å; G636-D676 WeakPolarHBondContact CA-O 3.43Å; G636-D676 PolarHBondContact N-O 3.31Å; D637-D676 PolarHBondContact N-O 2.82Å; D637-D676 CarbonylContact O-C 3.55Å; D637-D676 VanDerWaalsContact O-C 3.28Å; S674-D676 WeakPolarHBondContact CB-OD1 3.45Å; S674-D676 PolarHBondContact O-N 2.7Å; S674-D676 PolarHBondContact OG-N 3.39Å; S674-D676 VanDerWaalsContact OG-N 3.14Å; S674-D676 PolarHBondContact OG-OD1 2.74Å
677	S	89.9	Confident	92	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.028	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	151.6	-177.4	69.5	0	0	0	0	114.7	F398 D637 M673 S674	F398-S677 WeakPolarHBondContact CE2-OG 3.46Å; F398-S677 WeakPolarHBondContact CZ-OG 3.27Å; D637-S677 PolarHBondContact O-N 3.45Å; M673-S677 PolarHBondContact N-O 3.24Å; M673-S677 VanDerWaalsContact N-O 3.11Å; S674-S677 PolarHBondContact N-O 2.99Å; S674-S677 VanDerWaalsContact N-O 3.12Å; S674-S677 PolarHBondContact OG-N 3.34Å; S674-S677 PolarHBondContact OG-OG 3.37Å
678	G	93.8	Very high	91.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	-177.9	177.9	0	0	0	0	0	113.4	K634 L671	K634-G678 PolarHBondContact N-O 3.02Å; K634-G678 PolarHBondContact O-N 2.82Å; L671-G678 CarbonylContact O-C 3.48Å; L671-G678 WeakPolarHBondContact O-CA 3.46Å
679	M	95.3	Very high	91.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.1	173.6	-84.8	163.9	-169.4	0	0	110	L397 V631 I632 V633 L671 M673	L397-M679 HydrophobicContact CD1-CE 3.51Å; V631-M679 HydrophobicContact CG2-CB 3.61Å; V631-M679 HydrophobicContact CG2-CG 3.63Å; V631-M679 HydrophobicContact CG2-SD 4Å; I632-M679 CarbonylContact O-C 3.49Å; I632-M679 VanDerWaalsContact O-CA 3.26Å; I632-M679 WeakPolarHBondContact O-CA 3.06Å; V633-M679 HydrophobicContact CG2-CE 4.16Å; V633-M679 HydrophobicContact CG2-CG 4.24Å; L671-M679 HydrophobicContact CB-CB 4.08Å; L671-M679 HydrophobicContact CD2-CB 4.25Å; L671-M679 HydrophobicContact CD2-SD 4.29Å; L671-M679 PolarHBondContact N-O 3.25Å; L671-M679 PolarHBondContact O-N 2.98Å; M673-M679 HydrophobicContact CE-CB 3.78Å; M673-M679 HydrophobicContact CE-CE 3.86Å; M673-M679 HydrophobicContact CE-CG 3.38Å; M673-M679 HydrophobicContact CE-SD 3.57Å; M673-M679 VanDerWaalsContact CE-SD 3.57Å; M673-M679 HydrophobicContact SD-CE 4.44Å; M673-M679 HydrophobicContact SD-SD 4.27Å
680	I	95.3	Very high	91.1	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.067	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.1	178.8	-58.9	179.1	0	0	0	108.2	I632 K634 L639 E642 Y668 I670 P682	I632-I680 HydrophobicContact CB-CB 4.25Å; I632-I680 PolarHBondContact N-O 3.42Å; I632-I680 PolarHBondContact O-N 2.88Å; K634-I680 HydrophobicContact CD-CD1 3.73Å; K634-I680 HydrophobicContact CG-CD1 4.15Å; L639-I680 HydrophobicContact CD1-CD1 4.24Å; L639-I680 HydrophobicContact CD1-CG1 3.82Å; E642-I680 VanDerWaalsContact OE2-CD1 3.27Å; E642-I680 WeakPolarHBondContact OE2-CD1 3.27Å; Y668-I680 HydrophobicContact CD2-CG2 3.51Å; Y668-I680 HydrophobicContact CE2-CG2 3.54Å; I670-I680 HydrophobicContact CD1-CD1 4.45Å; I670-I680 HydrophobicContact CD1-CG1 4.05Å; I670-I680 HydrophobicContact CD1-CG2 4.16Å; I680-P682 WeakPolarHBondContact O-CD 3.48Å
681	E	93.8	Very high	90.6	Very high	50 Å²	50	22 Å²	22	23%	0.234	12%	0.123	C	C	.	.			trans	-68.9	113.6	165.8	-179.5	177.5	-121.8	0	0	109	T436 K669	T436-E681 HydrophobicContact CG2-CB 4.43Å; K669-E681 HydrophobicContact CB-CB 3.97Å; K669-E681 WeakPolarHBondContact CB-OE2 3.48Å; K669-E681 WeakPolarHBondContact CD-OE1 3.4Å; K669-E681 WeakPolarHBondContact CD-OE2 3.32Å; K669-E681 WeakPolarHBondContact CE-OE1 3.35Å; K669-E681 WeakPolarHBondContact CG-OE2 3.47Å; K669-E681 PolarHBondContact N-OE2 3.01Å; K669-E681 IonicContact NZ-OE1 3.06Å; K669-E681 PolarHBondContact NZ-OE1 3.05Å; K669-E681 IonicContact NZ-OE2 3.45Å; K669-E681 PolarHBondContact O-N 3.27Å
682	P	92.3	Very high	90.2	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.071	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-68.6	144.9	180	27.8	-33.6	0	0	0	110.8	I463 S630 I632 I680 L684	I463-P682 HydrophobicContact CD1-CB 3.98Å; I463-P682 HydrophobicContact CD1-CG 3.99Å; S630-P682 WeakPolarHBondContact O-CD 3.26Å; S630-P682 VanDerWaalsContact OG-CG 3.28Å; S630-P682 WeakPolarHBondContact OG-CG 3.27Å; I632-P682 HydrophobicContact CD1-CB 3.83Å; I632-P682 HydrophobicContact CG1-CB 4.02Å; I680-P682 WeakPolarHBondContact O-CD 3.48Å; P682-L684 PolarHBondContact O-N 3.24Å
683	V	91.6	Very high	89.7	Confident	21 Å²	21	25 Å²	25	13%	0.127	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-70.1	124.6	164.1	-176.5	0	0	0	0	107.9	Y668 A686 L748 I756 I758	Y668-V683 HydrophobicContact CD1-CG2 4.26Å; V683-A686 HydrophobicContact CB-CB 4.48Å; V683-A686 HydrophobicContact CG1-CB 3.61Å; V683-L748 HydrophobicContact CB-CD1 3.75Å; V683-L748 HydrophobicContact CG1-CD1 4.12Å; V683-L748 HydrophobicContact CG2-CD1 3.95Å; V683-I756 HydrophobicContact CG1-CD1 3.48Å; V683-I756 VanDerWaalsContact CG1-CD1 3.48Å; V683-I756 HydrophobicContact CG2-CG2 4Å; V683-I758 HydrophobicContact CG2-CG2 4.49Å
684	L	89.4	Confident	89.4	Confident	67 Å²	67	27.4 Å²	27.4	35%	0.351	14%	0.144	S	C	.	.	S	Bend	trans	-91.1	156.4	178.3	-63.6	171.5	0	0	0	110.6	W607 P682 A686	W607-L684 HydrophobicContact CB-CB 4.49Å; W607-L684 HydrophobicContact CD2-CD1 3.67Å; W607-L684 HydrophobicContact CD2-CD2 3.95Å; W607-L684 HydrophobicContact CD2-CG 4.36Å; W607-L684 HydrophobicContact CE3-CD1 4.19Å; W607-L684 HydrophobicContact CE3-CD2 3.63Å; W607-L684 HydrophobicContact CG-CD1 3.85Å; W607-L684 HydrophobicContact CG-CD2 4.46Å; W607-L684 HydrophobicContact CZ2-CD1 4.18Å; W607-L684 HydrophobicContact CZ3-CD2 4Å; P682-L684 PolarHBondContact O-N 3.24Å; L684-A686 PolarHBondContact O-N 3.28Å
685	N	88.2	Confident	88.9	Confident	45 Å²	45	28 Å²	28	24%	0.241	14%	0.144	C	C	.	.	S	Bend	trans	52.6	34.2	179.2	-60.8	-4.9	0	0	0	113.8	W607 E608 D750 S751	W607-N685 VanDerWaalsContact CB-OD1 3.24Å; W607-N685 WeakPolarHBondContact CB-OD1 3.23Å; W607-N685 PolarHBondContact N-OD1 3.15Å; E608-N685 PolarHBondContact OE2-ND2 3.33Å; E608-N685 VanDerWaalsContact OE2-ND2 3.11Å; N685-D750 WeakPolarHBondContact O-CA 3.4Å; N685-S751 PolarHBondContact O-N 3.25Å; N685-S751 VanDerWaalsContact O-N 3.1Å
686	A	89.7	Confident	88.7	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.5	-178.6	0	0	0	0	0	112.5	V683 L684 L748 L749 D750	V683-A686 HydrophobicContact CB-CB 4.48Å; V683-A686 HydrophobicContact CG1-CB 3.61Å; L684-A686 PolarHBondContact O-N 3.28Å; A686-L748 HydrophobicContact CB-CB 4.18Å; A686-L748 HydrophobicContact CB-CD1 4.27Å; A686-L749 VanDerWaalsContact CA-O 3.24Å; A686-L749 WeakPolarHBondContact CA-O 3.14Å; A686-L749 WeakPolarHBondContact CB-O 3.45Å; A686-D750 HydrophobicContact CB-CB 3.94Å
687	V	88.9	Confident	88.5	Confident	15 Å²	15	31.1 Å²	31.1	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.3	-178	-72.9	0	0	0	0	110.3	K604 V692 L748 L749	K604-V687 HydrophobicContact CB-CG1 4.2Å; V687-V692 HydrophobicContact CG2-CG2 3.61Å; V687-L748 CarbonylContact O-C 3.26Å; V687-L748 VanDerWaalsContact O-CA 3.25Å; V687-L748 WeakPolarHBondContact O-CA 3.43Å; V687-L749 PolarHBondContact N-O 3.36Å; V687-L749 PolarHBondContact O-N 3.36Å
688	S	90.6	Very high	88.4	Confident	23 Å²	23	34 Å²	34	16%	0.161	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	147.4	178.8	64.4	0	0	0	0	111.7	H690 Q691 V692 I747	S688-H690 PolarHBondContact O-N 3.14Å; S688-Q691 WeakPolarHBondContact O-CA 3.07Å; S688-Q691 WeakPolarHBondContact O-CB 3.46Å; S688-Q691 PolarHBondContact O-N 2.94Å; S688-Q691 WeakPolarHBondContact OG-CB 3.37Å; S688-Q691 PolarHBondContact OG-N 3.45Å; S688-V692 PolarHBondContact O-N 2.95Å; S688-I747 WeakPolarHBondContact CA-O 3.45Å
689	L	89.8	Confident	88.2	Confident	12 Å²	12	35.9 Å²	35.9	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-34	176.2	-69.3	177.3	0	0	0	111.9	Q691 V692 R693 L700 N744 I747 L749 F784	L689-Q691 VanDerWaalsContact C-N 3.33Å; L689-Q691 PolarHBondContact O-N 3.48Å; L689-V692 PolarHBondContact O-N 3.48Å; L689-R693 WeakPolarHBondContact O-CB 3.17Å; L689-R693 PolarHBondContact O-N 3.26Å; L689-L700 HydrophobicContact CD2-CD1 3.69Å; L689-L700 HydrophobicContact CD2-CD2 4.33Å; L689-N744 HydrophobicContact CB-CB 4.42Å; L689-N744 PolarHBondContact N-O 2.83Å; L689-I747 HydrophobicContact CD1-CB 3.92Å; L689-I747 HydrophobicContact CD1-CG2 3.56Å; L689-I747 HydrophobicContact CG-CB 4.41Å; L689-I747 HydrophobicContact CG-CG2 4.16Å; L689-I747 PolarHBondContact N-O 2.77Å; L689-L749 HydrophobicContact CD2-CB 3.84Å; L689-L749 HydrophobicContact CD2-CD2 4.26Å; L689-F784 HydrophobicContact CD1-CE1 3.62Å; L689-F784 HydrophobicContact CD1-CZ 3.58Å
690	H	85.7	Confident	88	Confident	29 Å²	29	36.3 Å²	36.3	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-47.7	169.5	173.5	60.6	0	0	0	112	S688 R693 K694 N744 G884 I885 M886	S688-H690 PolarHBondContact O-N 3.14Å; H690-R693 PolarHBondContact O-N 2.7Å; H690-K694 PolarHBondContact O-N 2.9Å; H690-N744 HydrophobicContact CB-CB 3.97Å; H690-N744 PolarHBondContact N-O 3.35Å; H690-N744 VanDerWaalsContact N-O 3.16Å; H690-G884 PolarHBondContact CE1-O 3.03Å; H690-I885 HydrophobicContact CB-CG2 4.08Å; H690-M886 PolarHBondContact CE1-N 2.66Å; H690-M886 PolarHBondContact ND1-N 3.2Å; H690-M886 PolarHBondContact ND1-O 3.33Å
691	Q	84.3	Confident	88	Confident	13 Å²	13	37.2 Å²	37.2	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-72.3	-35.8	-177.1	-166.4	63.7	19.9	0	0	112.1	A600 S688 L689 K694 Q695	A600-Q691 HydrophobicContact CB-CG 3.64Å; S688-Q691 WeakPolarHBondContact O-CA 3.07Å; S688-Q691 WeakPolarHBondContact O-CB 3.46Å; S688-Q691 PolarHBondContact O-N 2.94Å; S688-Q691 WeakPolarHBondContact OG-CB 3.37Å; S688-Q691 PolarHBondContact OG-N 3.45Å; L689-Q691 VanDerWaalsContact C-N 3.33Å; L689-Q691 PolarHBondContact O-N 3.48Å; Q691-K694 PolarHBondContact O-N 2.78Å; Q691-Q695 HydrophobicContact CG-CG 4.42Å; Q691-Q695 VanDerWaalsContact CG-OE1 3.3Å; Q691-Q695 WeakPolarHBondContact O-CB 3.45Å; Q691-Q695 WeakPolarHBondContact O-CG 3.37Å; Q691-Q695 PolarHBondContact O-N 3.02Å
692	V	86.4	Confident	88	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.024	20%	0.2	C	C	.	.	H	α-helix	trans	-54.1	-55	168.1	175.3	0	0	0	0	109.3	V687 S688 L689 K694 Q695 S696 Y703 L749	V687-V692 HydrophobicContact CG2-CG2 3.61Å; S688-V692 PolarHBondContact O-N 2.95Å; L689-V692 PolarHBondContact O-N 3.48Å; V692-K694 PolarHBondContact O-N 2.9Å; V692-Q695 PolarHBondContact O-N 3.38Å; V692-S696 WeakPolarHBondContact O-CB 3.39Å; V692-S696 PolarHBondContact O-N 2.99Å; V692-S696 PolarHBondContact O-OG 3.22Å; V692-Y703 HydrophobicContact CG1-CD1 3.81Å; V692-Y703 HydrophobicContact CG1-CD2 3.65Å; V692-Y703 HydrophobicContact CG1-CE1 4.07Å; V692-Y703 HydrophobicContact CG1-CE2 3.89Å; V692-Y703 HydrophobicContact CG1-CG 3.59Å; V692-L749 HydrophobicContact CG2-CD2 4.47Å
693	R	85.1	Confident	88	Confident	73 Å²	73	38.9 Å²	38.9	28%	0.275	20%	0.199	S	C	.	.	H	α-helix	trans	-58.4	-46.3	178.7	-163.9	-174.9	-163.5	106.9	13.7	112.6	L689 H690 Q695 Q697 E783 M886	L689-R693 WeakPolarHBondContact O-CB 3.17Å; L689-R693 PolarHBondContact O-N 3.26Å; H690-R693 PolarHBondContact O-N 2.7Å; R693-Q695 VanDerWaalsContact C-N 3.29Å; R693-Q695 PolarHBondContact O-N 3.13Å; R693-Q697 WeakPolarHBondContact O-CA 3.4Å; R693-Q697 PolarHBondContact O-N 2.89Å; R693-E783 IonicContact CZ-OE1 2.76Å; R693-E783 VanDerWaalsContact CZ-OE1 3.24Å; R693-E783 IonicContact NH1-OE1 2.7Å; R693-E783 PolarHBondContact NH1-OE1 3.34Å; R693-E783 IonicContact NH1-OE2 2.77Å; R693-E783 PolarHBondContact NH1-OE2 3.12Å; R693-E783 IonicContact NH2-OE1 3.2Å; R693-E783 PolarHBondContact NH2-OE1 2.93Å; R693-M886 HydrophobicContact CG-SD 4.09Å
694	K	83.3	Confident	88.1	Confident	62 Å²	62	37.9 Å²	37.9	27%	0.27	19%	0.193	S	C	.	.	H	α-helix	trans	-60.3	-37.1	178.8	-162.7	-161.9	-179.2	-163.3	0	111.8	D594 E596 H690 Q691 V692 Q697	D594-K694 IonicContact OD1-NZ 2.82Å; D594-K694 IonicContact OD2-NZ 3.24Å; D594-K694 PolarHBondContact OD2-NZ 3.25Å; E596-K694 IonicContact OE2-NZ 3.94Å; E596-K694 PolarHBondContact OE2-NZ 3.32Å; E596-K694 VanDerWaalsContact OE2-NZ 3.09Å; H690-K694 PolarHBondContact O-N 2.9Å; Q691-K694 PolarHBondContact O-N 2.78Å; V692-K694 PolarHBondContact O-N 2.9Å; K694-Q697 PolarHBondContact O-NE2 3.35Å
695	Q	78.4	Confident	88.3	Confident	39 Å²	39	36.6 Å²	36.6	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-99	-28.4	-171	-63.3	-170.3	-76.5	0	0	115	F591 Q691 V692 R693	F591-Q695 HydrophobicContact CD1-CB 3.79Å; F591-Q695 HydrophobicContact CD2-CB 4.46Å; F591-Q695 HydrophobicContact CE1-CB 3.53Å; F591-Q695 HydrophobicContact CE2-CB 4.23Å; F591-Q695 HydrophobicContact CG-CB 4.27Å; F591-Q695 HydrophobicContact CZ-CB 3.78Å; Q691-Q695 HydrophobicContact CG-CG 4.42Å; Q691-Q695 VanDerWaalsContact CG-OE1 3.3Å; Q691-Q695 WeakPolarHBondContact O-CB 3.45Å; Q691-Q695 WeakPolarHBondContact O-CG 3.37Å; Q691-Q695 PolarHBondContact O-N 3.02Å; V692-Q695 PolarHBondContact O-N 3.38Å; R693-Q695 VanDerWaalsContact C-N 3.29Å; R693-Q695 PolarHBondContact O-N 3.13Å
696	S	82.5	Confident	88.5	Confident	25 Å²	25	39.4 Å²	39.4	18%	0.175	20%	0.198	C	C	.	.	H	α-helix	trans	-85	-34.2	172.7	70.3	0	0	0	0	112.5	V692 L698	V692-S696 WeakPolarHBondContact O-CB 3.39Å; V692-S696 PolarHBondContact O-N 2.99Å; V692-S696 PolarHBondContact O-OG 3.22Å; S696-L698 PolarHBondContact O-N 3.21Å; S696-L698 PolarHBondContact OG-N 3.31Å; S696-L698 VanDerWaalsContact OG-N 3.08Å
697	Q	84.4	Confident	88.5	Confident	139 Å²	139	41.3 Å²	41.3	65%	0.65	21%	0.206	S	C	*	.			trans	56.9	23.2	-165.7	-58.6	-69.5	-41	0	0	113.4	R693 K694	R693-Q697 WeakPolarHBondContact O-CA 3.4Å; R693-Q697 PolarHBondContact O-N 2.89Å; K694-Q697 PolarHBondContact O-NE2 3.35Å
698	L	86.9	Confident	88.7	Confident	65 Å²	65	41.9 Å²	41.9	34%	0.34	21%	0.208	S	C	.	.	S	Bend	trans	-106	165.8	178.7	-63.7	-176	0	0	0	111.8	S696 D702 Q706	S696-L698 PolarHBondContact O-N 3.21Å; S696-L698 PolarHBondContact OG-N 3.31Å; S696-L698 VanDerWaalsContact OG-N 3.08Å; L698-D702 HydrophobicContact CB-CB 3.95Å; L698-D702 HydrophobicContact CD1-CB 4.21Å; L698-D702 HydrophobicContact CD2-CB 4.46Å; L698-D702 HydrophobicContact CG-CB 4.44Å; L698-Q706 HydrophobicContact CD1-CB 4.41Å; L698-Q706 VanDerWaalsContact CD1-OE1 3.26Å
699	S	90.8	Very high	88.8	Confident	40 Å²	40	42 Å²	42	28%	0.28	21%	0.212	S	C	.	.			trans	-68.3	165.5	162.8	83.5	0	0	0	0	110.9	L701 D702 Y703	S699-L701 VanDerWaalsContact C-N 3.31Å; S699-L701 PolarHBondContact O-N 2.92Å; S699-L701 PolarHBondContact OG-N 3.32Å; S699-D702 VanDerWaalsContact CB-OD2 3.26Å; S699-D702 WeakPolarHBondContact CB-OD2 3.15Å; S699-D702 PolarHBondContact O-N 3.12Å; S699-D702 PolarHBondContact OG-N 3.26Å; S699-D702 VanDerWaalsContact OG-N 3.1Å; S699-D702 PolarHBondContact OG-OD2 2.99Å; S699-Y703 WeakPolarHBondContact O-CB 3.21Å; S699-Y703 PolarHBondContact O-N 3.18Å
700	L	91.7	Very high	89	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.063	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-36.5	177.4	-169.8	61.1	0	0	0	112.1	L689 Y703 F704 F723 L749 E783 F784 V787	L689-L700 HydrophobicContact CD2-CD1 3.69Å; L689-L700 HydrophobicContact CD2-CD2 4.33Å; L700-Y703 PolarHBondContact O-N 3.47Å; L700-F704 HydrophobicContact CD1-CD2 4.36Å; L700-F704 HydrophobicContact CD1-CE2 4.17Å; L700-F704 HydrophobicContact CG-CD2 4.39Å; L700-F704 HydrophobicContact CG-CE2 4.31Å; L700-F704 VanDerWaalsContact O-CD2 3.3Å; L700-F704 WeakPolarHBondContact O-CD2 3.5Å; L700-F704 PolarHBondContact O-N 2.9Å; L700-F704 VanDerWaalsContact O-N 3.07Å; L700-F723 HydrophobicContact CD2-CE2 3.99Å; L700-F723 HydrophobicContact CD2-CZ 4Å; L700-L749 HydrophobicContact CD1-CD2 4.22Å; L700-E783 HydrophobicContact CB-CB 4.3Å; L700-F784 HydrophobicContact CD2-CD1 3.75Å; L700-F784 HydrophobicContact CD2-CE1 3.89Å; L700-V787 HydrophobicContact CB-CG2 4.18Å; L700-V787 HydrophobicContact CD2-CG2 4.09Å; L700-V787 HydrophobicContact CG-CG2 3.86Å
701	L	93.9	Very high	89.4	Confident	32 Å²	32	48.7 Å²	48.7	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-44.3	175.9	175.6	59.8	0	0	0	111.6	S699 Y703 F704 L705 F711 F716 D786 V787	S699-L701 VanDerWaalsContact C-N 3.31Å; S699-L701 PolarHBondContact O-N 2.92Å; S699-L701 PolarHBondContact OG-N 3.32Å; L701-Y703 VanDerWaalsContact C-N 3.28Å; L701-Y703 PolarHBondContact O-N 3.03Å; L701-F704 WeakPolarHBondContact O-CB 3.03Å; L701-F704 PolarHBondContact O-N 2.78Å; L701-F704 VanDerWaalsContact O-N 3.15Å; L701-L705 HydrophobicContact CD1-CD1 4.33Å; L701-L705 HydrophobicContact CD1-CG 4.34Å; L701-L705 HydrophobicContact CG-CD1 4.13Å; L701-L705 WeakPolarHBondContact O-CG 3.14Å; L701-L705 PolarHBondContact O-N 3.49Å; L701-F711 HydrophobicContact CD1-CE1 3.96Å; L701-F711 HydrophobicContact CD1-CZ 4.45Å; L701-F711 HydrophobicContact CD2-CE1 4.38Å; L701-F711 HydrophobicContact CD2-CZ 4.37Å; L701-F716 HydrophobicContact CD1-CE2 4.13Å; L701-F716 HydrophobicContact CD1-CZ 4.03Å; L701-D786 HydrophobicContact CD2-CB 4.43Å; L701-V787 HydrophobicContact CB-CG2 4.16Å
702	D	93.6	Very high	89.8	Confident	79 Å²	79	54 Å²	54	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-35.6	177.1	-63.5	-52.9	0	0	0	111.9	L698 S699 L705 Q706	L698-D702 HydrophobicContact CB-CB 3.95Å; L698-D702 HydrophobicContact CD1-CB 4.21Å; L698-D702 HydrophobicContact CD2-CB 4.46Å; L698-D702 HydrophobicContact CG-CB 4.44Å; S699-D702 VanDerWaalsContact CB-OD2 3.26Å; S699-D702 WeakPolarHBondContact CB-OD2 3.15Å; S699-D702 PolarHBondContact O-N 3.12Å; S699-D702 PolarHBondContact OG-N 3.26Å; S699-D702 VanDerWaalsContact OG-N 3.1Å; S699-D702 PolarHBondContact OG-OD2 2.99Å; D702-L705 PolarHBondContact O-N 3.46Å; D702-Q706 WeakPolarHBondContact O-CB 3.23Å; D702-Q706 PolarHBondContact O-N 3.29Å
703	Y	92.8	Very high	90.2	Very high	16 Å²	16	56 Å²	56	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-43.1	172	178.9	-95.8	0	0	0	112.3	V692 S699 L700 L701 L705 Q706 E707 L749	V692-Y703 HydrophobicContact CG1-CD1 3.81Å; V692-Y703 HydrophobicContact CG1-CD2 3.65Å; V692-Y703 HydrophobicContact CG1-CE1 4.07Å; V692-Y703 HydrophobicContact CG1-CE2 3.89Å; V692-Y703 HydrophobicContact CG1-CG 3.59Å; S699-Y703 WeakPolarHBondContact O-CB 3.21Å; S699-Y703 PolarHBondContact O-N 3.18Å; L700-Y703 PolarHBondContact O-N 3.47Å; L701-Y703 VanDerWaalsContact C-N 3.28Å; L701-Y703 PolarHBondContact O-N 3.03Å; Y703-L705 VanDerWaalsContact C-N 3.32Å; Y703-L705 PolarHBondContact O-N 2.86Å; Y703-Q706 PolarHBondContact O-N 3.47Å; Y703-E707 HydrophobicContact CE1-CB 4.4Å; Y703-E707 PolarHBondContact O-N 2.7Å; Y703-L749 HydrophobicContact CD1-CD2 4.01Å; Y703-L749 HydrophobicContact CE1-CD2 3.71Å
704	F	93.9	Very high	90.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-41.5	173.4	-92.9	-116.8	0	0	0	111.6	L700 L701 Q706 H708 F716 A719 F723 L749 V787	L700-F704 HydrophobicContact CD1-CD2 4.36Å; L700-F704 HydrophobicContact CD1-CE2 4.17Å; L700-F704 HydrophobicContact CG-CD2 4.39Å; L700-F704 HydrophobicContact CG-CE2 4.31Å; L700-F704 VanDerWaalsContact O-CD2 3.3Å; L700-F704 WeakPolarHBondContact O-CD2 3.5Å; L700-F704 PolarHBondContact O-N 2.9Å; L700-F704 VanDerWaalsContact O-N 3.07Å; L701-F704 WeakPolarHBondContact O-CB 3.03Å; L701-F704 PolarHBondContact O-N 2.78Å; L701-F704 VanDerWaalsContact O-N 3.15Å; F704-Q706 VanDerWaalsContact C-N 3.32Å; F704-Q706 PolarHBondContact O-N 3.05Å; F704-H708 AromaticContact CD1-CD2 3.86Å; F704-H708 WeakPolarHBondContact O-CA 3.4Å; F704-H708 WeakPolarHBondContact O-CB 3.29Å; F704-H708 PolarHBondContact O-N 3Å; F704-F716 HydrophobicContact CB-CD2 4.39Å; F704-F716 HydrophobicContact CB-CE2 4Å; F704-A719 HydrophobicContact CD1-CB 4.18Å; F704-A719 HydrophobicContact CE1-CB 4.01Å; F704-F723 HydrophobicContact CE1-CB 4.07Å; F704-F723 HydrophobicContact CE1-CD2 4.44Å; F704-F723 HydrophobicContact CE1-CG 4.44Å; F704-F723 HydrophobicContact CE2-CD2 4.26Å; F704-F723 HydrophobicContact CZ-CB 4.03Å; F704-F723 AromaticContact CZ-CD2 3.63Å; F704-F723 HydrophobicContact CZ-CD2 3.63Å; F704-F723 HydrophobicContact CZ-CE2 4.37Å; F704-F723 HydrophobicContact CZ-CG 4.05Å; F704-L749 HydrophobicContact CE2-CD1 3.92Å; F704-L749 HydrophobicContact CE2-CD2 3.83Å; F704-L749 HydrophobicContact CZ-CD1 3.88Å; F704-V787 HydrophobicContact CD1-CG1 4.1Å; F704-V787 HydrophobicContact CD2-CG2 4.44Å; F704-V787 HydrophobicContact CE1-CG1 4.01Å; F704-V787 HydrophobicContact CE2-CG1 4.46Å; F704-V787 HydrophobicContact CG-CG1 4.38Å; F704-V787 HydrophobicContact CZ-CG1 4.2Å
705	L	93.4	Very high	91.3	Very high	41 Å²	41	60 Å²	60	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-32.1	176.2	-68	167.9	0	0	0	112.7	L701 D702 Y703 G709 F711 F716	L701-L705 HydrophobicContact CD1-CD1 4.33Å; L701-L705 HydrophobicContact CD1-CG 4.34Å; L701-L705 HydrophobicContact CG-CD1 4.13Å; L701-L705 WeakPolarHBondContact O-CG 3.14Å; L701-L705 PolarHBondContact O-N 3.49Å; D702-L705 PolarHBondContact O-N 3.46Å; Y703-L705 VanDerWaalsContact C-N 3.32Å; Y703-L705 PolarHBondContact O-N 2.86Å; L705-G709 WeakPolarHBondContact CA-O 3.4Å; L705-G709 CarbonylContact O-C 3.5Å; L705-G709 WeakPolarHBondContact O-CA 3.31Å; L705-G709 PolarHBondContact O-N 2.99Å; L705-F711 HydrophobicContact CD1-CE1 4.41Å; L705-F711 HydrophobicContact CD1-CE2 3.89Å; L705-F711 HydrophobicContact CD1-CZ 3.71Å; L705-F711 HydrophobicContact CD2-CD1 4.09Å; L705-F711 HydrophobicContact CD2-CD2 3.8Å; L705-F711 HydrophobicContact CD2-CE1 4.07Å; L705-F711 HydrophobicContact CD2-CE2 3.77Å; L705-F711 HydrophobicContact CD2-CG 3.97Å; L705-F711 HydrophobicContact CD2-CZ 3.91Å; L705-F711 HydrophobicContact CG-CE2 4.5Å; L705-F711 HydrophobicContact CG-CZ 4.36Å; L705-F716 HydrophobicContact CD2-CD2 3.9Å; L705-F716 HydrophobicContact CD2-CE2 3.64Å; L705-F716 HydrophobicContact CD2-CZ 4.35Å; L705-F716 HydrophobicContact CG-CE2 4.05Å
706	Q	92.3	Very high	92.2	Very high	104 Å²	104	58.2 Å²	58.2	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-74.3	-48.8	176.7	-176.3	178.1	34.1	0	0	112.7	T589 L698 D702 Y703 F704	T589-Q706 HydrophobicContact CG2-CG 4.42Å; L698-Q706 HydrophobicContact CD1-CB 4.41Å; L698-Q706 VanDerWaalsContact CD1-OE1 3.26Å; D702-Q706 WeakPolarHBondContact O-CB 3.23Å; D702-Q706 PolarHBondContact O-N 3.29Å; Y703-Q706 PolarHBondContact O-N 3.47Å; F704-Q706 VanDerWaalsContact C-N 3.32Å; F704-Q706 PolarHBondContact O-N 3.05Å
707	E	90.1	Very high	92.8	Very high	45 Å²	45	60.7 Å²	60.7	21%	0.21	33%	0.33	C	S	.	.	H	α-helix	trans	-87.7	-24.4	-171.4	-159.4	86.4	152.1	0	0	112.5	T589 K604 Y703	T589-E707 PolarHBondContact OG1-OE1 3.23Å; T589-E707 PolarHBondContact OG1-OE2 3.32Å; K604-E707 IonicContact NZ-OE1 2.76Å; K604-E707 PolarHBondContact NZ-OE1 3.34Å; K604-E707 IonicContact NZ-OE2 2.82Å; Y703-E707 HydrophobicContact CE1-CB 4.4Å; Y703-E707 PolarHBondContact O-N 2.7Å
708	H	93.1	Very high	93.5	Very high	26 Å²	26	57.2 Å²	57.2	12%	0.12	32%	0.318	C	S	.	.	H	α-helix	trans	-117.2	-3.1	-179.2	-49.5	-54	0	0	0	114.4	F704 T713 A715 F716 A719	F704-H708 AromaticContact CD1-CD2 3.86Å; F704-H708 WeakPolarHBondContact O-CA 3.4Å; F704-H708 WeakPolarHBondContact O-CB 3.29Å; F704-H708 PolarHBondContact O-N 3Å; H708-T713 PolarHBondContact O-OG1 3.4Å; H708-A715 HydrophobicContact CB-CB 4.46Å; H708-A715 WeakPolarHBondContact O-CB 3.33Å; H708-F716 HydrophobicContact CB-CB 4.44Å; H708-F716 PolarHBondContact O-N 3.46Å; H708-A719 HydrophobicContact CB-CB 4.22Å; H708-A719 WeakPolarHBondContact CD2-CB 3.4Å
709	G	92.9	Very high	94	Very high	25 Å²	25	54.3 Å²	54.3	26%	0.258	30%	0.303	S	S	.	.			trans	86.5	-176.6	179.1	0	0	0	0	0	114.2	L705 F716	L705-G709 WeakPolarHBondContact CA-O 3.4Å; L705-G709 CarbonylContact O-C 3.5Å; L705-G709 WeakPolarHBondContact O-CA 3.31Å; L705-G709 PolarHBondContact O-N 2.99Å; G709-F716 WeakPolarHBondContact O-CD2 3.43Å
710	S	94.5	Very high	94.3	Very high	65 Å²	65	53.2 Å²	53.2	46%	0.455	29%	0.294	S	S	.	.	S	Bend	trans	-65.7	162.1	-173.6	61.7	0	0	0	0	113.8	T712 T713 F716	S710-T712 PolarHBondContact O-N 3.26Å; S710-T713 WeakPolarHBondContact O-CG2 3.45Å; S710-T713 PolarHBondContact O-N 3.1Å; S710-T713 PolarHBondContact O-OG1 3.25Å; S710-F716 WeakPolarHBondContact O-CB 3.44Å
711	F	93	Very high	94.6	Very high	117 Å²	117	58.5 Å²	58.5	51%	0.513	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-23	-179.2	-60.7	-82	0	0	0	116.8	L701 L705 F716	L701-F711 HydrophobicContact CD1-CE1 3.96Å; L701-F711 HydrophobicContact CD1-CZ 4.45Å; L701-F711 HydrophobicContact CD2-CE1 4.38Å; L701-F711 HydrophobicContact CD2-CZ 4.37Å; L705-F711 HydrophobicContact CD1-CE1 4.41Å; L705-F711 HydrophobicContact CD1-CE2 3.89Å; L705-F711 HydrophobicContact CD1-CZ 3.71Å; L705-F711 HydrophobicContact CD2-CD1 4.09Å; L705-F711 HydrophobicContact CD2-CD2 3.8Å; L705-F711 HydrophobicContact CD2-CE1 4.07Å; L705-F711 HydrophobicContact CD2-CE2 3.77Å; L705-F711 HydrophobicContact CD2-CG 3.97Å; L705-F711 HydrophobicContact CD2-CZ 3.91Å; L705-F711 HydrophobicContact CG-CE2 4.5Å; L705-F711 HydrophobicContact CG-CZ 4.36Å; F711-F716 HydrophobicContact CB-CE1 4.5Å; F711-F716 AromaticContact CD1-CE1 3.86Å; F711-F716 HydrophobicContact CD1-CE1 3.86Å; F711-F716 HydrophobicContact CD1-CE2 4.41Å; F711-F716 AromaticContact CD1-CZ 3.7Å; F711-F716 HydrophobicContact CD1-CZ 3.7Å; F711-F716 HydrophobicContact CE1-CZ 4.1Å
712	T	92.3	Very high	94.8	Very high	125 Å²	125	58.1 Å²	58.1	77%	0.767	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	0.3	-178.5	55.6	0	0	0	0	114.4	S710	S710-T712 PolarHBondContact O-N 3.26Å
713	T	96.3	Very high	95	Very high	45 Å²	45	54.4 Å²	54.4	28%	0.276	29%	0.291	S	S	.	.	S	Bend	trans	-79.3	145.3	176.9	72	0	0	0	0	111.3	H708 S710 A715 F716 L717	H708-T713 PolarHBondContact O-OG1 3.4Å; S710-T713 WeakPolarHBondContact O-CG2 3.45Å; S710-T713 PolarHBondContact O-N 3.1Å; S710-T713 PolarHBondContact O-OG1 3.25Å; T713-A715 PolarHBondContact O-N 3.35Å; T713-F716 PolarHBondContact O-N 3.48Å; T713-F716 VanDerWaalsContact OG1-CB 3.25Å; T713-F716 WeakPolarHBondContact OG1-CB 3.42Å; T713-F716 PolarHBondContact OG1-N 3.46Å; T713-L717 WeakPolarHBondContact O-CG 3.45Å; T713-L717 PolarHBondContact O-N 3.47Å
714	E	95.6	Very high	95.3	Very high	165 Å²	165	53.6 Å²	53.6	77%	0.771	29%	0.288	S	S	*	.	H	α-helix	trans	-59.9	-33.1	173.6	-175.6	173.6	-163.4	0	0	111.6	T718	E714-T718 WeakPolarHBondContact O-CB 3.26Å; E714-T718 PolarHBondContact O-N 3.08Å; E714-T718 PolarHBondContact O-OG1 3.33Å
715	A	95.1	Very high	95.5	Very high	55 Å²	55	54.6 Å²	54.6	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-48.3	176.2	0	0	0	0	0	112.1	H708 T713 T718 A719	H708-A715 HydrophobicContact CB-CB 4.46Å; H708-A715 WeakPolarHBondContact O-CB 3.33Å; T713-A715 PolarHBondContact O-N 3.35Å; A715-T718 PolarHBondContact O-N 3.17Å; A715-A719 WeakPolarHBondContact O-CB 3.47Å; A715-A719 PolarHBondContact O-N 3.04Å
716	F	96.6	Very high	95.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-47.8	175.3	178.8	-85.6	0	0	0	111.3	L701 F704 L705 H708 G709 S710 F711 T713 T718 A719 Q720	L701-F716 HydrophobicContact CD1-CE2 4.13Å; L701-F716 HydrophobicContact CD1-CZ 4.03Å; F704-F716 HydrophobicContact CB-CD2 4.39Å; F704-F716 HydrophobicContact CB-CE2 4Å; L705-F716 HydrophobicContact CD2-CD2 3.9Å; L705-F716 HydrophobicContact CD2-CE2 3.64Å; L705-F716 HydrophobicContact CD2-CZ 4.35Å; L705-F716 HydrophobicContact CG-CE2 4.05Å; H708-F716 HydrophobicContact CB-CB 4.44Å; H708-F716 PolarHBondContact O-N 3.46Å; G709-F716 WeakPolarHBondContact O-CD2 3.43Å; S710-F716 WeakPolarHBondContact O-CB 3.44Å; F711-F716 HydrophobicContact CB-CE1 4.5Å; F711-F716 AromaticContact CD1-CE1 3.86Å; F711-F716 HydrophobicContact CD1-CE1 3.86Å; F711-F716 HydrophobicContact CD1-CE2 4.41Å; F711-F716 AromaticContact CD1-CZ 3.7Å; F711-F716 HydrophobicContact CD1-CZ 3.7Å; F711-F716 HydrophobicContact CE1-CZ 4.1Å; T713-F716 PolarHBondContact O-N 3.48Å; T713-F716 VanDerWaalsContact OG1-CB 3.25Å; T713-F716 WeakPolarHBondContact OG1-CB 3.42Å; T713-F716 PolarHBondContact OG1-N 3.46Å; F716-T718 VanDerWaalsContact C-N 3.28Å; F716-T718 PolarHBondContact O-N 2.85Å; F716-A719 PolarHBondContact O-N 2.92Å; F716-Q720 HydrophobicContact CE1-CB 4.26Å; F716-Q720 VanDerWaalsContact O-CB 3.25Å; F716-Q720 WeakPolarHBondContact O-CB 3.48Å; F716-Q720 PolarHBondContact O-N 2.8Å
717	L	96.7	Very high	96	Very high	77 Å²	77	47.7 Å²	47.7	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-34.4	-179.3	-67.4	170.1	0	0	0	112.2	T713 R721	T713-L717 WeakPolarHBondContact O-CG 3.45Å; T713-L717 PolarHBondContact O-N 3.47Å; L717-R721 WeakPolarHBondContact O-CB 3.15Å; L717-R721 PolarHBondContact O-N 2.94Å; L717-R721 VanDerWaalsContact O-N 3.11Å
718	T	97.4	Very high	96.4	Very high	66 Å²	66	45.6 Å²	45.6	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-69.6	-48.6	173.2	-60.3	0	0	0	0	111.5	E714 A715 F716 Q720 R721 N722	E714-T718 WeakPolarHBondContact O-CB 3.26Å; E714-T718 PolarHBondContact O-N 3.08Å; E714-T718 PolarHBondContact O-OG1 3.33Å; A715-T718 PolarHBondContact O-N 3.17Å; F716-T718 VanDerWaalsContact C-N 3.28Å; F716-T718 PolarHBondContact O-N 2.85Å; T718-Q720 PolarHBondContact O-N 3.45Å; T718-R721 WeakPolarHBondContact O-CB 3.42Å; T718-R721 PolarHBondContact O-N 2.94Å; T718-N722 WeakPolarHBondContact O-CB 3.46Å; T718-N722 PolarHBondContact O-N 2.94Å; T718-N722 PolarHBondContact O-OD1 3.09Å
719	A	97.3	Very high	96.6	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-42	178.6	0	0	0	0	0	112.1	F704 H708 A715 F716 R721 N722 F723	F704-A719 HydrophobicContact CD1-CB 4.18Å; F704-A719 HydrophobicContact CE1-CB 4.01Å; H708-A719 HydrophobicContact CB-CB 4.22Å; H708-A719 WeakPolarHBondContact CD2-CB 3.4Å; A715-A719 WeakPolarHBondContact O-CB 3.47Å; A715-A719 PolarHBondContact O-N 3.04Å; F716-A719 PolarHBondContact O-N 2.92Å; A719-R721 PolarHBondContact O-N 3.4Å; A719-N722 WeakPolarHBondContact O-CB 3.5Å; A719-N722 PolarHBondContact O-N 2.91Å; A719-F723 WeakPolarHBondContact O-CB 3.44Å; A719-F723 PolarHBondContact O-N 2.87Å
720	Q	97.8	Very high	96.8	Very high	18 Å²	18	43.1 Å²	43.1	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-42.4	173.9	-178.6	-178.7	59.7	0	0	111.7	F716 T718 F723 V724 V787 M795	F716-Q720 HydrophobicContact CE1-CB 4.26Å; F716-Q720 VanDerWaalsContact O-CB 3.25Å; F716-Q720 WeakPolarHBondContact O-CB 3.48Å; F716-Q720 PolarHBondContact O-N 2.8Å; T718-Q720 PolarHBondContact O-N 3.45Å; Q720-F723 WeakPolarHBondContact O-CB 3.49Å; Q720-F723 PolarHBondContact O-N 2.97Å; Q720-V724 WeakPolarHBondContact O-CG2 3.37Å; Q720-V724 PolarHBondContact O-N 3.42Å; Q720-V787 WeakPolarHBondContact CG-O 3.16Å; Q720-V787 PolarHBondContact NE2-O 2.72Å; Q720-M795 HydrophobicContact CG-CE 4.5Å; Q720-M795 HydrophobicContact CG-CG 4.14Å
721	R	98	Very high	96.9	Very high	123 Å²	123	40.2 Å²	40.2	46%	0.464	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-44.1	175	-177.3	-177.7	-176.2	157.8	7.3	111.8	L717 T718 A719 F723 V724 Q725 M795	L717-R721 WeakPolarHBondContact O-CB 3.15Å; L717-R721 PolarHBondContact O-N 2.94Å; L717-R721 VanDerWaalsContact O-N 3.11Å; T718-R721 WeakPolarHBondContact O-CB 3.42Å; T718-R721 PolarHBondContact O-N 2.94Å; A719-R721 PolarHBondContact O-N 3.4Å; R721-F723 VanDerWaalsContact C-N 3.32Å; R721-V724 PolarHBondContact O-N 3.43Å; R721-Q725 HydrophobicContact CG-CG 4.37Å; R721-Q725 VanDerWaalsContact NE-NE2 3.17Å; R721-Q725 WeakPolarHBondContact O-CB 3.5Å; R721-Q725 WeakPolarHBondContact O-CG 3.42Å; R721-Q725 PolarHBondContact O-N 2.85Å; R721-M795 HydrophobicContact CB-CE 4.09Å
722	N	98.4	Very high	97.1	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-41.2	177.2	-73.2	-4.5	0	0	0	111.1	T718 A719 S726 E752 H754	T718-N722 WeakPolarHBondContact O-CB 3.46Å; T718-N722 PolarHBondContact O-N 2.94Å; T718-N722 PolarHBondContact O-OD1 3.09Å; A719-N722 WeakPolarHBondContact O-CB 3.5Å; A719-N722 PolarHBondContact O-N 2.91Å; N722-S726 VanDerWaalsContact O-CB 3.3Å; N722-S726 WeakPolarHBondContact O-CB 3.33Å; N722-S726 PolarHBondContact O-N 3.3Å; N722-S726 PolarHBondContact O-OG 3.22Å; N722-E752 VanDerWaalsContact CB-O 3.31Å; N722-E752 WeakPolarHBondContact CB-O 3.19Å; N722-E752 PolarHBondContact ND2-O 3.46Å; N722-H754 WeakPolarHBondContact CB-NE2 3.48Å; N722-H754 VanDerWaalsContact CG-NE2 3.34Å
723	F	98.3	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-48.7	171.7	-173.6	-96.7	0	0	0	111.9	L700 F704 A719 Q720 R721 S726 C727 L749 G753 I755 F784 V787 M788	L700-F723 HydrophobicContact CD2-CE2 3.99Å; L700-F723 HydrophobicContact CD2-CZ 4Å; F704-F723 HydrophobicContact CE1-CB 4.07Å; F704-F723 HydrophobicContact CE1-CD2 4.44Å; F704-F723 HydrophobicContact CE1-CG 4.44Å; F704-F723 HydrophobicContact CE2-CD2 4.26Å; F704-F723 HydrophobicContact CZ-CB 4.03Å; F704-F723 AromaticContact CZ-CD2 3.63Å; F704-F723 HydrophobicContact CZ-CD2 3.63Å; F704-F723 HydrophobicContact CZ-CE2 4.37Å; F704-F723 HydrophobicContact CZ-CG 4.05Å; A719-F723 WeakPolarHBondContact O-CB 3.44Å; A719-F723 PolarHBondContact O-N 2.87Å; Q720-F723 WeakPolarHBondContact O-CB 3.49Å; Q720-F723 PolarHBondContact O-N 2.97Å; R721-F723 VanDerWaalsContact C-N 3.32Å; F723-S726 PolarHBondContact O-OG 3.49Å; F723-S726 VanDerWaalsContact O-OG 3.05Å; F723-C727 WeakPolarHBondContact O-CB 3.42Å; F723-C727 PolarHBondContact O-N 3.11Å; F723-L749 HydrophobicContact CD2-CD1 4.5Å; F723-G753 VanDerWaalsContact CA-O 3.26Å; F723-G753 WeakPolarHBondContact CA-O 3.2Å; F723-G753 WeakPolarHBondContact CB-O 3.49Å; F723-G753 PolarHBondContact N-O 3.47Å; F723-I755 HydrophobicContact CD2-CG2 3.57Å; F723-I755 HydrophobicContact CE2-CG2 3.36Å; F723-I755 HydrophobicContact CZ-CG2 4.33Å; F723-F784 HydrophobicContact CE1-CB 4.16Å; F723-F784 HydrophobicContact CE1-CG 4.33Å; F723-F784 HydrophobicContact CZ-CB 4.02Å; F723-F784 AromaticContact CZ-CD1 3.88Å; F723-F784 HydrophobicContact CZ-CD1 3.88Å; F723-F784 HydrophobicContact CZ-CD2 4.1Å; F723-F784 HydrophobicContact CZ-CE1 4.39Å; F723-F784 AromaticContact CZ-CG 3.73Å; F723-F784 HydrophobicContact CZ-CG 3.73Å; F723-V787 HydrophobicContact CB-CG1 4.37Å; F723-V787 HydrophobicContact CD1-CB 4.16Å; F723-V787 HydrophobicContact CD1-CG1 3.48Å; F723-V787 VanDerWaalsContact CD1-CG1 3.48Å; F723-V787 HydrophobicContact CD2-CG1 4.31Å; F723-V787 HydrophobicContact CE1-CB 3.88Å; F723-V787 HydrophobicContact CE1-CG1 3.71Å; F723-V787 HydrophobicContact CE2-CG1 4.5Å; F723-V787 HydrophobicContact CG-CG1 3.81Å; F723-V787 HydrophobicContact CZ-CB 4.29Å; F723-V787 HydrophobicContact CZ-CG1 4.22Å; F723-M788 HydrophobicContact CD1-CE 4.14Å; F723-M788 HydrophobicContact CD1-CG 4.29Å; F723-M788 HydrophobicContact CE1-CE 3.83Å; F723-M788 HydrophobicContact CE1-CG 4.29Å
724	V	98.3	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-48.8	176.9	166.1	0	0	0	0	112.3	Q720 R721 S726 C727 A728 M788 M795 Y798 L802	Q720-V724 WeakPolarHBondContact O-CG2 3.37Å; Q720-V724 PolarHBondContact O-N 3.42Å; R721-V724 PolarHBondContact O-N 3.43Å; V724-S726 VanDerWaalsContact C-N 3.33Å; V724-S726 PolarHBondContact O-N 3.01Å; V724-C727 PolarHBondContact O-N 2.96Å; V724-A728 WeakPolarHBondContact O-CB 3.48Å; V724-A728 PolarHBondContact O-N 3.43Å; V724-M788 HydrophobicContact CG2-CB 4.49Å; V724-M788 HydrophobicContact CG2-CG 3.78Å; V724-M788 HydrophobicContact CG2-SD 4.27Å; V724-M795 HydrophobicContact CG2-CB 4.01Å; V724-M795 HydrophobicContact CG2-SD 4.19Å; V724-Y798 HydrophobicContact CG1-CD1 3.63Å; V724-Y798 HydrophobicContact CG1-CE1 4.2Å; V724-Y798 HydrophobicContact CG1-CG 4.45Å; V724-L802 HydrophobicContact CG1-CD1 4.02Å
725	Q	98.4	Very high	97.2	Very high	20 Å²	20	19.3 Å²	19.3	9%	0.093	10%	0.102	C	C	.	.	H	α-helix	trans	-67.5	-33.3	-176.7	-71.3	-175.7	-12.4	0	0	112.7	P662 W664 R721 G729 Y798 L802	P662-Q725 VanDerWaalsContact O-CD 3.3Å; P662-Q725 VanDerWaalsContact O-CG 3.27Å; P662-Q725 WeakPolarHBondContact O-CG 3.4Å; W664-Q725 HydrophobicContact CB-CB 4.24Å; W664-Q725 PolarHBondContact N-O 3.41Å; W664-Q725 VanDerWaalsContact N-O 3.08Å; R721-Q725 HydrophobicContact CG-CG 4.37Å; R721-Q725 VanDerWaalsContact NE-NE2 3.17Å; R721-Q725 WeakPolarHBondContact O-CB 3.5Å; R721-Q725 WeakPolarHBondContact O-CG 3.42Å; R721-Q725 PolarHBondContact O-N 2.85Å; Q725-G729 PolarHBondContact O-N 3.34Å; Q725-Y798 HydrophobicContact CG-CE1 4.22Å; Q725-Y798 PolarHBondContact NE2-OH 3.27Å; Q725-L802 HydrophobicContact CB-CD1 4.46Å; Q725-L802 HydrophobicContact CG-CD1 3.82Å
726	S	98.4	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-77.6	-42	173.7	58	0	0	0	0	112.7	W664 N722 F723 V724 A728 G729 Y730 H754 I755	W664-S726 WeakPolarHBondContact O-CA 3.49Å; N722-S726 VanDerWaalsContact O-CB 3.3Å; N722-S726 WeakPolarHBondContact O-CB 3.33Å; N722-S726 PolarHBondContact O-N 3.3Å; N722-S726 PolarHBondContact O-OG 3.22Å; F723-S726 PolarHBondContact O-OG 3.49Å; F723-S726 VanDerWaalsContact O-OG 3.05Å; V724-S726 VanDerWaalsContact C-N 3.33Å; V724-S726 PolarHBondContact O-N 3.01Å; S726-A728 PolarHBondContact O-N 2.67Å; S726-G729 PolarHBondContact O-N 3.36Å; S726-Y730 WeakPolarHBondContact O-CD2 3.39Å; S726-Y730 PolarHBondContact O-N 3.46Å; S726-H754 WeakPolarHBondContact OG-CA 3.39Å; S726-I755 WeakPolarHBondContact CB-O 3.27Å; S726-I755 PolarHBondContact OG-N 2.78Å
727	C	97.7	Very high	97	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-44	177.7	-169.3	0	0	0	0	111.9	F723 V724 G729 S731 I755 M788 Y799	F723-C727 WeakPolarHBondContact O-CB 3.42Å; F723-C727 PolarHBondContact O-N 3.11Å; V724-C727 PolarHBondContact O-N 2.96Å; C727-G729 VanDerWaalsContact C-N 3.32Å; C727-G729 PolarHBondContact O-N 3.33Å; C727-S731 VanDerWaalsContact O-CB 3.24Å; C727-S731 WeakPolarHBondContact O-CB 3.43Å; C727-S731 PolarHBondContact O-N 2.85Å; C727-S731 PolarHBondContact O-OG 3Å; C727-I755 HydrophobicContact CB-CD1 3.94Å; C727-I755 HydrophobicContact CB-CG1 4.38Å; C727-M788 HydrophobicContact CB-CE 3.74Å; C727-M788 VanDerWaalsContact SG-CE 3.58Å; C727-Y799 HydrophobicContact CB-CD2 4.38Å; C727-Y799 HydrophobicContact CB-CE2 4.17Å
728	A	98.1	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62	-39.9	175.2	0	0	0	0	0	112	L663 V724 S726 S731 L732 Y799 L802 M803	L663-A728 HydrophobicContact CD2-CB 3.47Å; L663-A728 VanDerWaalsContact CD2-CB 3.47Å; V724-A728 WeakPolarHBondContact O-CB 3.48Å; V724-A728 PolarHBondContact O-N 3.43Å; S726-A728 PolarHBondContact O-N 2.67Å; A728-S731 PolarHBondContact O-N 2.88Å; A728-L732 WeakPolarHBondContact O-CG 3.32Å; A728-L732 PolarHBondContact O-N 3.28Å; A728-L732 VanDerWaalsContact O-N 3.14Å; A728-Y799 HydrophobicContact CB-CD2 3.77Å; A728-Y799 HydrophobicContact CB-CE2 4.08Å; A728-L802 HydrophobicContact CB-CB 3.82Å; A728-L802 HydrophobicContact CB-CD1 4.41Å; A728-M803 HydrophobicContact CB-CG 4.01Å
729	G	97.9	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.8	-48	179	0	0	0	0	0	112.5	Q725 S726 C727 L732 I733	Q725-G729 PolarHBondContact O-N 3.34Å; S726-G729 PolarHBondContact O-N 3.36Å; C727-G729 VanDerWaalsContact C-N 3.32Å; C727-G729 PolarHBondContact O-N 3.33Å; G729-L732 PolarHBondContact O-N 3.23Å; G729-I733 WeakPolarHBondContact O-CG1 3.33Å; G729-I733 PolarHBondContact O-N 3Å
730	Y	97.8	Very high	95.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-73.2	-27.1	177.4	-77.8	-73.2	0	0	0	113.6	L649 W664 I665 K666 S726 I733 C734 I755 H757 F760	L649-Y730 HydrophobicContact CD2-CE1 4.09Å; W664-Y730 HydrophobicContact CZ3-CE2 4.42Å; I665-Y730 HydrophobicContact CB-CE2 4.16Å; I665-Y730 HydrophobicContact CG2-CD2 4.12Å; I665-Y730 HydrophobicContact CG2-CE2 3.95Å; I665-Y730 HydrophobicContact CG2-CG 4.47Å; K666-Y730 PolarHBondContact N-OH 3.03Å; K666-Y730 PolarHBondContact O-OH 2.74Å; S726-Y730 WeakPolarHBondContact O-CD2 3.39Å; S726-Y730 PolarHBondContact O-N 3.46Å; Y730-I733 HydrophobicContact CD1-CD1 3.71Å; Y730-I733 HydrophobicContact CE1-CD1 3.92Å; Y730-I733 HydrophobicContact CG-CD1 4.38Å; Y730-I733 PolarHBondContact O-N 3.3Å; Y730-C734 WeakPolarHBondContact O-CB 3.43Å; Y730-C734 PolarHBondContact O-N 3.01Å; Y730-C734 PolarHBondContact O-SG 3Å; Y730-I755 HydrophobicContact CD2-CG1 4.42Å; Y730-I755 VanDerWaalsContact CD2-O 3.32Å; Y730-I755 WeakPolarHBondContact CD2-O 3.49Å; Y730-I755 WeakPolarHBondContact CE2-O 3.45Å; Y730-H757 HydrophobicContact CD1-CB 3.55Å; Y730-H757 AromaticContact CD1-CG 3.66Å; Y730-H757 HydrophobicContact CE1-CB 3.8Å; Y730-H757 HydrophobicContact CG-CB 4.23Å; Y730-H757 AromaticContact CG-CD2 3.79Å; Y730-H757 AromaticContact CG-CG 3.9Å; Y730-F760 HydrophobicContact CE1-CZ 4.35Å
731	S	96.4	Very high	94.9	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-62	-46.4	170.1	-61	0	0	0	0	111.1	C727 A728 C734 Y735 Y799	C727-S731 VanDerWaalsContact O-CB 3.24Å; C727-S731 WeakPolarHBondContact O-CB 3.43Å; C727-S731 PolarHBondContact O-N 2.85Å; C727-S731 PolarHBondContact O-OG 3Å; A728-S731 PolarHBondContact O-N 2.88Å; S731-C734 PolarHBondContact O-N 3.26Å; S731-Y735 WeakPolarHBondContact O-CB 3.11Å; S731-Y735 PolarHBondContact O-N 3.31Å; S731-Y799 PolarHBondContact OG-OH 2.94Å
732	L	97.3	Very high	94.4	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-64.8	-39.8	174.9	-71.6	178.5	0	0	0	112.9	W656 L663 A728 G729 L736 M803 L807	W656-L732 HydrophobicContact CH2-CB 4.21Å; W656-L732 HydrophobicContact CH2-CD1 4.43Å; W656-L732 HydrophobicContact CZ2-CB 4.11Å; W656-L732 HydrophobicContact CZ2-CD1 3.81Å; L663-L732 HydrophobicContact CD1-CD1 3.73Å; A728-L732 WeakPolarHBondContact O-CG 3.32Å; A728-L732 PolarHBondContact O-N 3.28Å; A728-L732 VanDerWaalsContact O-N 3.14Å; G729-L732 PolarHBondContact O-N 3.23Å; L732-L736 WeakPolarHBondContact O-CB 3.44Å; L732-L736 WeakPolarHBondContact O-CG 3.46Å; L732-L736 PolarHBondContact O-N 2.9Å; L732-M803 HydrophobicContact CD2-CB 4.4Å; L732-M803 HydrophobicContact CD2-CE 4.1Å; L732-M803 HydrophobicContact CG-CG 4.48Å; L732-L807 HydrophobicContact CD2-CB 4.1Å
733	I	96.3	Very high	93.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-59.7	-50.6	173.4	-72.3	161.2	0	0	0	110.6	L649 L652 W656 I665 G729 Y730 Y735 L736 L737 V739 F760	L649-I733 HydrophobicContact CD1-CD1 4.31Å; L649-I733 HydrophobicContact CD1-CG2 3.88Å; L649-I733 HydrophobicContact CD2-CD1 3.98Å; L649-I733 HydrophobicContact CG-CD1 3.69Å; L649-I733 HydrophobicContact CG-CG1 4.31Å; L649-I733 HydrophobicContact CG-CG2 4.43Å; L652-I733 HydrophobicContact CD1-CG1 4.16Å; W656-I733 HydrophobicContact CH2-CG1 4.38Å; I665-I733 HydrophobicContact CB-CD1 4.31Å; I665-I733 HydrophobicContact CD1-CD1 4.02Å; I665-I733 HydrophobicContact CG2-CD1 3.64Å; G729-I733 WeakPolarHBondContact O-CG1 3.33Å; G729-I733 PolarHBondContact O-N 3Å; Y730-I733 HydrophobicContact CD1-CD1 3.71Å; Y730-I733 HydrophobicContact CE1-CD1 3.92Å; Y730-I733 HydrophobicContact CG-CD1 4.38Å; Y730-I733 PolarHBondContact O-N 3.3Å; I733-Y735 VanDerWaalsContact C-N 3.33Å; I733-Y735 PolarHBondContact O-N 3.13Å; I733-L736 PolarHBondContact O-N 3Å; I733-L737 VanDerWaalsContact O-CB 3.22Å; I733-L737 WeakPolarHBondContact O-CB 3.36Å; I733-L737 PolarHBondContact O-N 3.22Å; I733-V739 HydrophobicContact CG2-CG2 4.15Å; I733-F760 HydrophobicContact CG2-CE1 4.19Å
734	C	94.4	Very high	93.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.2	-43.1	-177.2	-68.9	0	0	0	0	111.3	Y730 S731 Q738 V739 H757 A777 F778	Y730-C734 WeakPolarHBondContact O-CB 3.43Å; Y730-C734 PolarHBondContact O-N 3.01Å; Y730-C734 PolarHBondContact O-SG 3Å; S731-C734 PolarHBondContact O-N 3.26Å; C734-Q738 WeakPolarHBondContact O-CA 3.35Å; C734-Q738 PolarHBondContact O-N 3Å; C734-V739 HydrophobicContact CB-CB 4.39Å; C734-V739 PolarHBondContact O-N 3.11Å; C734-V739 VanDerWaalsContact O-N 3.15Å; C734-H757 VanDerWaalsContact SG-CE1 3.57Å; C734-H757 PolarHBondContact SG-ND1 3.04Å; C734-A777 CarbonylContact C-O 3.55Å; C734-A777 VanDerWaalsContact C-O 3.27Å; C734-F778 HydrophobicContact CB-CB 3.71Å
735	Y	94.4	Very high	92.5	Very high	13 Å²	13	8 Å²	8	5%	0.051	4%	0.043	C	C	.	.	H	α-helix	trans	-61.8	-56.5	173.8	169.1	-109.1	0	0	0	112.7	S731 I733 Q738 A777 L807 R845 H847 L862	S731-Y735 WeakPolarHBondContact O-CB 3.11Å; S731-Y735 PolarHBondContact O-N 3.31Å; I733-Y735 VanDerWaalsContact C-N 3.33Å; I733-Y735 PolarHBondContact O-N 3.13Å; Y735-Q738 PolarHBondContact O-N 3.19Å; Y735-Q738 PolarHBondContact O-NE2 3.22Å; Y735-A777 HydrophobicContact CD2-CB 3.97Å; Y735-A777 PolarHBondContact N-O 3.28Å; Y735-L807 HydrophobicContact CE1-CD1 4.44Å; Y735-R845 HydrophobicContact CE1-CB 4.21Å; Y735-R845 WeakPolarHBondContact CE1-O 3.46Å; Y735-R845 HydrophobicContact CE2-CG 4.33Å; Y735-R845 VanDerWaalsContact O-CD 3.27Å; Y735-R845 WeakPolarHBondContact O-CD 3.3Å; Y735-R845 PolarHBondContact O-NE 3.27Å; Y735-R845 PolarHBondContact OH-O 3.37Å; Y735-H847 PolarHBondContact OH-CD2 3.42Å; Y735-H847 PolarHBondContact OH-NE2 3.17Å; Y735-L862 HydrophobicContact CD1-CD1 4.43Å; Y735-L862 HydrophobicContact CD2-CD1 4.04Å; Y735-L862 HydrophobicContact CD2-CD2 3.76Å; Y735-L862 HydrophobicContact CE1-CD1 4.31Å; Y735-L862 HydrophobicContact CE2-CD1 3.89Å; Y735-L862 HydrophobicContact CE2-CD2 3.72Å; Y735-L862 HydrophobicContact CE2-CG 4.48Å; Y735-L862 HydrophobicContact CG-CD1 4.3Å
736	L	94.9	Very high	92.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.9	-46.8	-174.2	-70.7	174.1	0	0	0	112.1	F648 L652 L732 I733 Q738 L807 A810 L842 R845 F846	F648-L736 HydrophobicContact CE1-CB 4.27Å; F648-L736 HydrophobicContact CZ-CB 4.01Å; L652-L736 HydrophobicContact CD1-CD1 4.27Å; L732-L736 WeakPolarHBondContact O-CB 3.44Å; L732-L736 WeakPolarHBondContact O-CG 3.46Å; L732-L736 PolarHBondContact O-N 2.9Å; I733-L736 PolarHBondContact O-N 3Å; L736-Q738 VanDerWaalsContact C-N 3.33Å; L736-L807 HydrophobicContact CD2-CD1 4.22Å; L736-A810 HydrophobicContact CD1-CB 4.21Å; L736-L842 WeakPolarHBondContact O-CD1 3.47Å; L736-R845 HydrophobicContact CD2-CB 4.4Å; L736-R845 VanDerWaalsContact O-CZ 3.26Å; L736-R845 PolarHBondContact O-NE 2.84Å; L736-R845 PolarHBondContact O-NH2 2.94Å; L736-F846 HydrophobicContact CD1-CE1 4.46Å; L736-F846 HydrophobicContact CD2-CD1 4.44Å; L736-F846 HydrophobicContact CD2-CD2 4.45Å; L736-F846 HydrophobicContact CD2-CE1 4.34Å; L736-F846 HydrophobicContact CD2-CE2 4.33Å; L736-F846 HydrophobicContact CD2-CZ 4.28Å
737	L	92.6	Very high	91.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-83	-8.8	-177.6	-169.8	58.1	0	0	0	112.9	A645 F648 L649 I733 V739 I763 L764	A645-L737 HydrophobicContact CB-CD2 3.93Å; F648-L737 HydrophobicContact CD1-CB 4.25Å; F648-L737 HydrophobicContact CD1-CD1 4.23Å; F648-L737 HydrophobicContact CD1-CD2 4.1Å; F648-L737 HydrophobicContact CD1-CG 4.43Å; F648-L737 HydrophobicContact CD2-CD1 3.92Å; F648-L737 HydrophobicContact CE1-CB 3.87Å; F648-L737 HydrophobicContact CE1-CD1 4.35Å; F648-L737 HydrophobicContact CE1-CG 4.49Å; F648-L737 HydrophobicContact CE2-CD1 4.03Å; F648-L737 HydrophobicContact CG-CD1 4.02Å; F648-L737 HydrophobicContact CG-CD2 4.35Å; F648-L737 HydrophobicContact CZ-CB 4.15Å; F648-L737 HydrophobicContact CZ-CD1 4.26Å; L649-L737 HydrophobicContact CD1-CD2 4.34Å; I733-L737 VanDerWaalsContact O-CB 3.22Å; I733-L737 WeakPolarHBondContact O-CB 3.36Å; I733-L737 PolarHBondContact O-N 3.22Å; L737-V739 HydrophobicContact CB-CG2 3.98Å; L737-V739 HydrophobicContact CD2-CG2 4.09Å; L737-V739 HydrophobicContact CG-CG2 4.16Å; L737-I763 HydrophobicContact CD1-CD1 4.42Å; L737-I763 HydrophobicContact CD2-CG2 4.05Å; L737-I763 HydrophobicContact CG-CB 4.13Å; L737-I763 HydrophobicContact CG-CG2 4.04Å; L737-L764 HydrophobicContact CD1-CD1 4.42Å; L737-L764 HydrophobicContact CD1-CD2 4Å; L737-L764 HydrophobicContact CD1-CG 3.99Å; L737-L764 WeakPolarHBondContact O-CA 3.22Å; L737-L764 PolarHBondContact O-N 3.45Å
738	Q	91.2	Very high	91.7	Very high	37 Å²	37	9 Å²	9	17%	0.173	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	57.5	-171.2	-74.6	-64.8	-60.3	0	0	111.6	C734 Y735 L736 I763 L764	C734-Q738 WeakPolarHBondContact O-CA 3.35Å; C734-Q738 PolarHBondContact O-N 3Å; Y735-Q738 PolarHBondContact O-N 3.19Å; Y735-Q738 PolarHBondContact O-NE2 3.22Å; L736-Q738 VanDerWaalsContact C-N 3.33Å; Q738-I763 CarbonylContact O-C 3.59Å; Q738-I763 WeakPolarHBondContact O-CA 3.38Å; Q738-L764 PolarHBondContact O-N 3.43Å
739	V	89.6	Confident	91.6	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.024	5%	0.049	C	C	.	.			trans	-72.4	132.9	175.8	-170.5	0	0	0	0	109	I733 C734 L737 F760 I763	I733-V739 HydrophobicContact CG2-CG2 4.15Å; C734-V739 HydrophobicContact CB-CB 4.39Å; C734-V739 PolarHBondContact O-N 3.11Å; C734-V739 VanDerWaalsContact O-N 3.15Å; L737-V739 HydrophobicContact CB-CG2 3.98Å; L737-V739 HydrophobicContact CD2-CG2 4.09Å; L737-V739 HydrophobicContact CG-CG2 4.16Å; V739-F760 HydrophobicContact CG1-CD1 3.79Å; V739-F760 HydrophobicContact CG1-CE1 4.1Å; V739-F760 HydrophobicContact CG2-CD1 3.89Å; V739-F760 HydrophobicContact CG2-CE1 3.96Å; V739-I763 HydrophobicContact CG1-CG2 4.44Å; V739-I763 HydrophobicContact CG2-CG2 4.17Å
740	K	83	Confident	91.4	Very high	22 Å²	22	10 Å²	10	10%	0.096	5%	0.053	C	C	.	.			trans	-117.7	176.4	-179.7	-60.9	-59.6	171.7	-175.1	0	111.4	R742 F762 E774 S776	K740-R742 PolarHBondContact O-NE 3.14Å; K740-R742 PolarHBondContact O-NH2 2.95Å; K740-F762 HydrophobicContact CB-CB 3.97Å; K740-F762 PolarHBondContact N-O 3.14Å; K740-E774 WeakPolarHBondContact CA-OE2 3.36Å; K740-E774 WeakPolarHBondContact CB-OE2 3.46Å; K740-E774 HydrophobicContact CD-CB 4.3Å; K740-E774 HydrophobicContact CD-CG 4.21Å; K740-E774 WeakPolarHBondContact CD-OE2 3.4Å; K740-E774 PolarHBondContact NZ-O 3.37Å; K740-S776 PolarHBondContact NZ-O 2.98Å
741	D	82.1	Confident	91	Very high	23 Å²	23	13.6 Å²	13.6	12%	0.123	8%	0.079	C	C	.	.			trans	57.8	52.4	-174.6	-156.5	-11.7	0	0	0	112.1	H743 N746 F762 P768 E774 Y875 Q879	D741-H743 PolarHBondContact O-N 3.33Å; D741-H743 IonicContact OD1-CD2 3.87Å; D741-H743 PolarHBondContact OD1-CD2 3.3Å; D741-H743 IonicContact OD1-NE2 2.74Å; D741-N746 PolarHBondContact O-ND2 3.2Å; D741-F762 HydrophobicContact CB-CD2 3.75Å; D741-F762 HydrophobicContact CB-CE2 4.35Å; D741-P768 HydrophobicContact CB-CG 4.32Å; D741-E774 PolarHBondContact N-OE1 3.44Å; D741-E774 PolarHBondContact N-OE2 3.15Å; D741-Y875 VanDerWaalsContact CG-OH 3.29Å; D741-Y875 WeakPolarHBondContact OD1-CE1 3.37Å; D741-Y875 PolarHBondContact OD1-OH 3.18Å; D741-Q879 PolarHBondContact OD1-NE2 2.96Å
742	R	86.3	Confident	90.9	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.019	10%	0.104	C	C	.	.			trans	-95.7	83.2	-177.2	-64.3	-55.3	86.6	-175.5	6.8	112.2	K740 I758 D759 E774 K779	K740-R742 PolarHBondContact O-NE 3.14Å; K740-R742 PolarHBondContact O-NH2 2.95Å; R742-I758 PolarHBondContact NH1-O 3.46Å; R742-D759 PolarHBondContact NH2-O 3.47Å; R742-E774 PolarHBondContact N-OE1 2.95Å; R742-K779 HydrophobicContact CB-CB 4.31Å; R742-K779 VanDerWaalsContact O-CD 3.28Å; R742-K779 WeakPolarHBondContact O-CD 3.4Å
743	H	84.4	Confident	90.8	Very high	13 Å²	13	19 Å²	19	6%	0.06	10%	0.104	C	C	.	.			trans	-112.5	169.5	176.1	62.5	54.6	0	0	0	113.3	D741 G745 N746 Q879 I885	D741-H743 PolarHBondContact O-N 3.33Å; D741-H743 IonicContact OD1-CD2 3.87Å; D741-H743 PolarHBondContact OD1-CD2 3.3Å; D741-H743 IonicContact OD1-NE2 2.74Å; H743-G745 WeakPolarHBondContact ND1-CA 3.4Å; H743-G745 PolarHBondContact ND1-N 2.87Å; H743-G745 VanDerWaalsContact ND1-N 3.1Å; H743-G745 PolarHBondContact O-N 2.73Å; H743-G745 VanDerWaalsContact O-N 3.08Å; H743-N746 PolarHBondContact CE1-ND2 3.14Å; H743-N746 VanDerWaalsContact CE1-ND2 3.3Å; H743-N746 PolarHBondContact CE1-OD1 3.39Å; H743-N746 PolarHBondContact ND1-N 3.06Å; H743-N746 PolarHBondContact NE2-ND2 3.48Å; H743-N746 PolarHBondContact O-N 2.8Å; H743-Q879 HydrophobicContact CB-CB 4.35Å; H743-Q879 HydrophobicContact CB-CG 4.04Å; H743-Q879 VanDerWaalsContact CD2-CD 3.43Å; H743-Q879 PolarHBondContact CD2-NE2 2.95Å; H743-I885 VanDerWaalsContact CE1-CD1 3.46Å; H743-I885 WeakPolarHBondContact CE1-CD1 3.29Å
744	N	86.4	Confident	90.8	Very high	11 Å²	11	19.2 Å²	19.2	6%	0.059	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-58.3	-25.3	-176.3	-68.4	-10.7	0	0	0	114.7	L689 H690 K779 I885 M886	L689-N744 HydrophobicContact CB-CB 4.42Å; L689-N744 PolarHBondContact N-O 2.83Å; H690-N744 HydrophobicContact CB-CB 3.97Å; H690-N744 PolarHBondContact N-O 3.35Å; H690-N744 VanDerWaalsContact N-O 3.16Å; N744-K779 PolarHBondContact OD1-NZ 2.69Å; N744-I885 HydrophobicContact CB-CG2 4.27Å; N744-M886 WeakPolarHBondContact CB-O 3Å; N744-M886 PolarHBondContact ND2-O 3.12Å; N744-M886 PolarHBondContact ND2-OXT 2.89Å
745	G	85.1	Confident	91	Very high	16 Å²	16	19.3 Å²	19.3	17%	0.165	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-72.5	-21.1	170.8	0	0	0	0	0	116.2	H743	H743-G745 WeakPolarHBondContact ND1-CA 3.4Å; H743-G745 PolarHBondContact ND1-N 2.87Å; H743-G745 VanDerWaalsContact ND1-N 3.1Å; H743-G745 PolarHBondContact O-N 2.73Å; H743-G745 VanDerWaalsContact O-N 3.08Å
746	N	90.5	Very high	91.1	Very high	21 Å²	21	18.7 Å²	18.7	11%	0.112	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-102.3	5.2	-176.5	-71.7	-11.6	0	0	0	112.7	D741 H743 I758	D741-N746 PolarHBondContact O-ND2 3.2Å; H743-N746 PolarHBondContact CE1-ND2 3.14Å; H743-N746 VanDerWaalsContact CE1-ND2 3.3Å; H743-N746 PolarHBondContact CE1-OD1 3.39Å; H743-N746 PolarHBondContact ND1-N 3.06Å; H743-N746 PolarHBondContact NE2-ND2 3.48Å; H743-N746 PolarHBondContact O-N 2.8Å; N746-I758 WeakPolarHBondContact O-CG1 3.42Å; N746-I758 PolarHBondContact O-N 3Å
747	I	93.6	Very high	91.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114.5	173.9	-55	177.2	0	0	0	106.5	S688 L689 I755 K779 F784	S688-I747 WeakPolarHBondContact CA-O 3.45Å; L689-I747 HydrophobicContact CD1-CB 3.92Å; L689-I747 HydrophobicContact CD1-CG2 3.56Å; L689-I747 HydrophobicContact CG-CB 4.41Å; L689-I747 HydrophobicContact CG-CG2 4.16Å; L689-I747 PolarHBondContact N-O 2.77Å; I747-I755 HydrophobicContact CG2-CB 3.95Å; I747-I755 HydrophobicContact CG2-CD1 4.33Å; I747-I755 HydrophobicContact CG2-CG2 4.41Å; I747-K779 HydrophobicContact CD1-CD 4.33Å; I747-F784 HydrophobicContact CD1-CZ 4.28Å
748	L	94.4	Very high	91.1	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.11	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	155.2	170.3	-55.2	173.9	0	0	0	110.3	V683 A686 V687 I755 I756 I758	V683-L748 HydrophobicContact CB-CD1 3.75Å; V683-L748 HydrophobicContact CG1-CD1 4.12Å; V683-L748 HydrophobicContact CG2-CD1 3.95Å; A686-L748 HydrophobicContact CB-CB 4.18Å; A686-L748 HydrophobicContact CB-CD1 4.27Å; V687-L748 CarbonylContact O-C 3.26Å; V687-L748 VanDerWaalsContact O-CA 3.25Å; V687-L748 WeakPolarHBondContact O-CA 3.43Å; L748-I755 CarbonylContact O-C 3.48Å; L748-I755 VanDerWaalsContact O-CA 3.25Å; L748-I755 WeakPolarHBondContact O-CA 3.46Å; L748-I756 HydrophobicContact CB-CB 4.23Å; L748-I756 PolarHBondContact N-O 3.41Å; L748-I756 PolarHBondContact O-N 3.1Å; L748-I758 HydrophobicContact CD1-CD1 4.27Å; L748-I758 HydrophobicContact CD1-CG2 3.65Å; L748-I758 HydrophobicContact CD2-CD1 4.01Å; L748-I758 HydrophobicContact CG-CD1 4.02Å; L748-I758 HydrophobicContact CG-CG1 4.33Å; L748-I758 HydrophobicContact CG-CG2 4.07Å
749	L	94.5	Very high	91	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.7	164.1	-179.9	66.9	0	0	0	107.6	A686 V687 L689 V692 L700 Y703 F704 F723 H754 I755	A686-L749 VanDerWaalsContact CA-O 3.24Å; A686-L749 WeakPolarHBondContact CA-O 3.14Å; A686-L749 WeakPolarHBondContact CB-O 3.45Å; V687-L749 PolarHBondContact N-O 3.36Å; V687-L749 PolarHBondContact O-N 3.36Å; L689-L749 HydrophobicContact CD2-CB 3.84Å; L689-L749 HydrophobicContact CD2-CD2 4.26Å; V692-L749 HydrophobicContact CG2-CD2 4.47Å; L700-L749 HydrophobicContact CD1-CD2 4.22Å; Y703-L749 HydrophobicContact CD1-CD2 4.01Å; Y703-L749 HydrophobicContact CE1-CD2 3.71Å; F704-L749 HydrophobicContact CE2-CD1 3.92Å; F704-L749 HydrophobicContact CE2-CD2 3.83Å; F704-L749 HydrophobicContact CZ-CD1 3.88Å; F723-L749 HydrophobicContact CD2-CD1 4.5Å; L749-H754 WeakPolarHBondContact CA-O 3.44Å; L749-I755 HydrophobicContact CD1-CG2 4.45Å
750	D	93.5	Very high	91	Very high	16 Å²	16	21.7 Å²	21.7	9%	0.086	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	167.7	173.9	76.1	17.1	0	0	0	113	N685 A686 E752 G753 H754 I756	N685-D750 WeakPolarHBondContact O-CA 3.4Å; A686-D750 HydrophobicContact CB-CB 3.94Å; D750-E752 PolarHBondContact O-N 3.34Å; D750-E752 VanDerWaalsContact O-N 3.11Å; D750-E752 WeakPolarHBondContact OD1-CA 3.35Å; D750-E752 WeakPolarHBondContact OD1-CB 3.08Å; D750-E752 PolarHBondContact OD1-N 3.11Å; D750-G753 PolarHBondContact O-N 2.85Å; D750-G753 VanDerWaalsContact O-N 3.07Å; D750-G753 PolarHBondContact OD1-N 3.02Å; D750-G753 VanDerWaalsContact OD1-N 3.09Å; D750-H754 PolarHBondContact N-O 3.03Å; D750-H754 IonicContact OD1-CG 3.9Å; D750-H754 PolarHBondContact OD1-N 3.23Å; D750-H754 IonicContact OD1-ND1 2.91Å; D750-H754 PolarHBondContact OD1-ND1 2.89Å; D750-H754 VanDerWaalsContact OD1-ND1 3.13Å; D750-H754 IonicContact OD2-CG 2.59Å; D750-H754 IonicContact OD2-ND1 3.11Å; D750-H754 PolarHBondContact OD2-ND1 3.34Å; D750-I756 HydrophobicContact CB-CD1 4.11Å
751	S	90.7	Very high	91	Very high	77 Å²	77	21.5 Å²	21.5	54%	0.538	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-7.2	179.1	56.1	0	0	0	0	115	N685	N685-S751 PolarHBondContact O-N 3.25Å; N685-S751 VanDerWaalsContact O-N 3.1Å
752	E	93.4	Very high	91.2	Very high	118 Å²	118	23.7 Å²	23.7	55%	0.551	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	0.8	175.7	-65.4	175.5	-135.8	0	0	112	N722 D750 H754	N722-E752 VanDerWaalsContact CB-O 3.31Å; N722-E752 WeakPolarHBondContact CB-O 3.19Å; N722-E752 PolarHBondContact ND2-O 3.46Å; D750-E752 PolarHBondContact O-N 3.34Å; D750-E752 VanDerWaalsContact O-N 3.11Å; D750-E752 WeakPolarHBondContact OD1-CA 3.35Å; D750-E752 WeakPolarHBondContact OD1-CB 3.08Å; D750-E752 PolarHBondContact OD1-N 3.11Å; E752-H754 IonicContact OE2-CE1 3.77Å; E752-H754 PolarHBondContact OE2-CE1 3.4Å
753	G	94.8	Very high	91.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	90.8	2.6	178.7	0	0	0	0	0	115.2	F723 D750	F723-G753 VanDerWaalsContact CA-O 3.26Å; F723-G753 WeakPolarHBondContact CA-O 3.2Å; F723-G753 WeakPolarHBondContact CB-O 3.49Å; F723-G753 PolarHBondContact N-O 3.47Å; D750-G753 PolarHBondContact O-N 2.85Å; D750-G753 VanDerWaalsContact O-N 3.07Å; D750-G753 PolarHBondContact OD1-N 3.02Å; D750-G753 VanDerWaalsContact OD1-N 3.09Å
754	H	97.8	Very high	91.4	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	13%	0.132	C	C	.	.			trans	-78.2	141.9	179	-49.2	94.3	0	0	0	111.9	W664 N722 S726 L749 D750 E752	W664-H754 AromaticContact CD1-CD2 3.67Å; W664-H754 AromaticContact CD1-NE2 3.41Å; W664-H754 HydrophobicContact CD2-CB 4.25Å; W664-H754 AromaticContact CD2-CD2 3.34Å; W664-H754 AromaticContact CD2-CG 3.83Å; W664-H754 AromaticContact CD2-NE2 3.85Å; W664-H754 AromaticContact CE2-CD2 3.36Å; W664-H754 AromaticContact CE2-CE1 3.78Å; W664-H754 AromaticContact CE2-CG 3.62Å; W664-H754 AromaticContact CE2-ND1 3.86Å; W664-H754 AromaticContact CE2-NE2 3.48Å; W664-H754 HydrophobicContact CE3-CB 3.85Å; W664-H754 AromaticContact CE3-CD2 3.8Å; W664-H754 AromaticContact CE3-CG 3.96Å; W664-H754 AromaticContact CG-CD2 3.55Å; W664-H754 AromaticContact CG-NE2 3.81Å; W664-H754 HydrophobicContact CH2-CB 3.5Å; W664-H754 AromaticContact CH2-CG 3.66Å; W664-H754 HydrophobicContact CZ2-CB 3.95Å; W664-H754 AromaticContact CZ2-CD2 3.81Å; W664-H754 AromaticContact CZ2-CE1 3.88Å; W664-H754 AromaticContact CZ2-CG 3.55Å; W664-H754 AromaticContact CZ2-ND1 3.58Å; W664-H754 HydrophobicContact CZ3-CB 3.47Å; W664-H754 VanDerWaalsContact CZ3-CB 3.47Å; W664-H754 AromaticContact CZ3-CG 3.89Å; W664-H754 AromaticContact NE1-CD2 3.56Å; W664-H754 AromaticContact NE1-CE1 3.64Å; W664-H754 AromaticContact NE1-NE2 3.19Å; W664-H754 PolarHBondContact NE1-NE2 3.21Å; W664-H754 VanDerWaalsContact NE1-NE2 3.19Å; N722-H754 WeakPolarHBondContact CB-NE2 3.48Å; N722-H754 VanDerWaalsContact CG-NE2 3.34Å; S726-H754 WeakPolarHBondContact OG-CA 3.39Å; L749-H754 WeakPolarHBondContact CA-O 3.44Å; D750-H754 PolarHBondContact N-O 3.03Å; D750-H754 IonicContact OD1-CG 3.9Å; D750-H754 PolarHBondContact OD1-N 3.23Å; D750-H754 IonicContact OD1-ND1 2.91Å; D750-H754 PolarHBondContact OD1-ND1 2.89Å; D750-H754 VanDerWaalsContact OD1-ND1 3.13Å; D750-H754 IonicContact OD2-CG 2.59Å; D750-H754 IonicContact OD2-ND1 3.11Å; D750-H754 PolarHBondContact OD2-ND1 3.34Å; E752-H754 IonicContact OE2-CE1 3.77Å; E752-H754 PolarHBondContact OE2-CE1 3.4Å
755	I	97.1	Very high	91.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.8	164.3	74.6	170.2	0	0	0	111.3	F723 S726 C727 Y730 I747 L748 L749 F784	F723-I755 HydrophobicContact CD2-CG2 3.57Å; F723-I755 HydrophobicContact CE2-CG2 3.36Å; F723-I755 HydrophobicContact CZ-CG2 4.33Å; S726-I755 WeakPolarHBondContact CB-O 3.27Å; S726-I755 PolarHBondContact OG-N 2.78Å; C727-I755 HydrophobicContact CB-CD1 3.94Å; C727-I755 HydrophobicContact CB-CG1 4.38Å; Y730-I755 HydrophobicContact CD2-CG1 4.42Å; Y730-I755 VanDerWaalsContact CD2-O 3.32Å; Y730-I755 WeakPolarHBondContact CD2-O 3.49Å; Y730-I755 WeakPolarHBondContact CE2-O 3.45Å; I747-I755 HydrophobicContact CG2-CB 3.95Å; I747-I755 HydrophobicContact CG2-CD1 4.33Å; I747-I755 HydrophobicContact CG2-CG2 4.41Å; L748-I755 CarbonylContact O-C 3.48Å; L748-I755 VanDerWaalsContact O-CA 3.25Å; L748-I755 WeakPolarHBondContact O-CA 3.46Å; L749-I755 HydrophobicContact CD1-CG2 4.45Å; I755-F784 HydrophobicContact CD1-CE2 4.06Å
756	I	97.1	Very high	90.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	110.6	-179.5	-58.4	161.1	0	0	0	108.7	W664 K666 V683 L748 D750 I758	W664-I756 HydrophobicContact CH2-CD1 3.84Å; W664-I756 HydrophobicContact CH2-CG1 3.68Å; W664-I756 HydrophobicContact CZ3-CD1 4.31Å; W664-I756 HydrophobicContact CZ3-CG1 3.62Å; K666-I756 HydrophobicContact CB-CD1 4.32Å; K666-I756 HydrophobicContact CB-CG1 4.15Å; K666-I756 HydrophobicContact CB-CG2 4.15Å; K666-I756 HydrophobicContact CG-CD1 4.49Å; V683-I756 HydrophobicContact CG1-CD1 3.48Å; V683-I756 VanDerWaalsContact CG1-CD1 3.48Å; V683-I756 HydrophobicContact CG2-CG2 4Å; L748-I756 HydrophobicContact CB-CB 4.23Å; L748-I756 PolarHBondContact N-O 3.41Å; L748-I756 PolarHBondContact O-N 3.1Å; D750-I756 HydrophobicContact CB-CD1 4.11Å; I756-I758 HydrophobicContact CG2-CG2 4.42Å
757	H	94.9	Very high	89.7	Confident	5 Å²	5	25.6 Å²	25.6	2%	0.023	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.3	175.6	-68.7	-155.9	0	0	0	110.3	Y730 C734 F760	Y730-H757 HydrophobicContact CD1-CB 3.55Å; Y730-H757 AromaticContact CD1-CG 3.66Å; Y730-H757 HydrophobicContact CE1-CB 3.8Å; Y730-H757 HydrophobicContact CG-CB 4.23Å; Y730-H757 AromaticContact CG-CD2 3.79Å; Y730-H757 AromaticContact CG-CG 3.9Å; C734-H757 VanDerWaalsContact SG-CE1 3.57Å; C734-H757 PolarHBondContact SG-ND1 3.04Å; H757-F760 HydrophobicContact CB-CZ 4Å; H757-F760 WeakPolarHBondContact O-CE2 3.49Å; H757-F760 WeakPolarHBondContact O-CZ 3.42Å
758	I	92.9	Very high	88.3	Confident	42 Å²	42	26.3 Å²	26.3	22%	0.215	15%	0.151	C	C	.	.			trans	-123.5	172.9	177.6	60.2	166.5	0	0	0	111.4	Y668 V683 R742 N746 L748 I756	Y668-I758 HydrophobicContact CE1-CB 4.45Å; Y668-I758 HydrophobicContact CE1-CG2 3.91Å; Y668-I758 WeakPolarHBondContact OH-CA 3.38Å; V683-I758 HydrophobicContact CG2-CG2 4.49Å; R742-I758 PolarHBondContact NH1-O 3.46Å; N746-I758 WeakPolarHBondContact O-CG1 3.42Å; N746-I758 PolarHBondContact O-N 3Å; L748-I758 HydrophobicContact CD1-CD1 4.27Å; L748-I758 HydrophobicContact CD1-CG2 3.65Å; L748-I758 HydrophobicContact CD2-CD1 4.01Å; L748-I758 HydrophobicContact CG-CD1 4.02Å; L748-I758 HydrophobicContact CG-CG1 4.33Å; L748-I758 HydrophobicContact CG-CG2 4.07Å; I756-I758 HydrophobicContact CG2-CG2 4.42Å
759	D	88.3	Confident	86.6	Confident	54 Å²	54	35.7 Å²	35.7	29%	0.289	19%	0.185	S	C	.	.			trans	51.7	83.2	-177.1	-151.2	-53.3	0	0	0	113.3	K634 Y668 R742 G761	K634-D759 IonicContact NZ-OD1 2.65Å; K634-D759 IonicContact NZ-OD2 3.83Å; K634-D759 PolarHBondContact NZ-OD2 2.89Å; Y668-D759 PolarHBondContact OH-N 3.28Å; R742-D759 PolarHBondContact NH2-O 3.47Å; D759-G761 PolarHBondContact O-N 2.93Å; D759-G761 PolarHBondContact OD1-N 2.7Å
760	F	90.1	Very high	84.7	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	22%	0.222	C	C	.	.			trans	-89.7	34	176.2	-64.6	-84.5	0	0	0	111.8	A645 L649 Y668 Y730 I733 V739 H757 F762 I763	A645-F760 HydrophobicContact CB-CB 3.48Å; A645-F760 VanDerWaalsContact CB-CB 3.48Å; A645-F760 HydrophobicContact CB-CD1 4.17Å; A645-F760 HydrophobicContact CB-CD2 4.24Å; A645-F760 HydrophobicContact CB-CG 3.71Å; L649-F760 HydrophobicContact CD1-CE1 4.34Å; L649-F760 HydrophobicContact CD1-CZ 4.27Å; L649-F760 HydrophobicContact CD2-CE2 4.18Å; L649-F760 HydrophobicContact CD2-CZ 3.96Å; Y668-F760 HydrophobicContact CE1-CE2 4.12Å; Y730-F760 HydrophobicContact CE1-CZ 4.35Å; I733-F760 HydrophobicContact CG2-CE1 4.19Å; V739-F760 HydrophobicContact CG1-CD1 3.79Å; V739-F760 HydrophobicContact CG1-CE1 4.1Å; V739-F760 HydrophobicContact CG2-CD1 3.89Å; V739-F760 HydrophobicContact CG2-CE1 3.96Å; H757-F760 HydrophobicContact CB-CZ 4Å; H757-F760 WeakPolarHBondContact O-CE2 3.49Å; H757-F760 WeakPolarHBondContact O-CZ 3.42Å; F760-F762 PolarHBondContact O-N 2.91Å; F760-I763 HydrophobicContact CB-CG2 4.15Å; F760-I763 HydrophobicContact CD1-CG2 4.42Å
761	G	83.2	Confident	82.8	Confident	18 Å²	18	44.9 Å²	44.9	19%	0.186	23%	0.234	C	C	.	.			trans	-65.5	-20.7	178.8	0	0	0	0	0	114.9	Q641 D759	Q641-G761 PolarHBondContact NE2-O 2.55Å; Q641-G761 VanDerWaalsContact NE2-O 3.12Å; D759-G761 PolarHBondContact O-N 2.93Å; D759-G761 PolarHBondContact OD1-N 2.7Å
762	F	85.7	Confident	81	Confident	68 Å²	68	43.8 Å²	43.8	30%	0.298	23%	0.234	S	C	.	.	S	Bend	trans	-123.1	104.6	176.1	-56.2	-70.8	0	0	0	111.1	K740 D741 F760 S766 P768	K740-F762 HydrophobicContact CB-CB 3.97Å; K740-F762 PolarHBondContact N-O 3.14Å; D741-F762 HydrophobicContact CB-CD2 3.75Å; D741-F762 HydrophobicContact CB-CE2 4.35Å; F760-F762 PolarHBondContact O-N 2.91Å; F762-S766 WeakPolarHBondContact CA-OG 3.49Å; F762-P768 HydrophobicContact CD2-CB 4.36Å; F762-P768 HydrophobicContact CE1-CB 4.37Å; F762-P768 HydrophobicContact CE2-CB 4.13Å; F762-P768 HydrophobicContact CZ-CB 4.14Å
763	I	88.9	Confident	79	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	-137.3	163.2	-179.7	58.6	173.9	0	0	0	112.4	Q641 L644 A645 L737 Q738 V739 F760 S765 S766 C832	Q641-I763 HydrophobicContact CB-CD1 4.37Å; L644-I763 HydrophobicContact CD2-CD1 4.33Å; A645-I763 HydrophobicContact CB-CD1 4.41Å; L737-I763 HydrophobicContact CD1-CD1 4.42Å; L737-I763 HydrophobicContact CD2-CG2 4.05Å; L737-I763 HydrophobicContact CG-CB 4.13Å; L737-I763 HydrophobicContact CG-CG2 4.04Å; Q738-I763 CarbonylContact O-C 3.59Å; Q738-I763 WeakPolarHBondContact O-CA 3.38Å; V739-I763 HydrophobicContact CG1-CG2 4.44Å; V739-I763 HydrophobicContact CG2-CG2 4.17Å; F760-I763 HydrophobicContact CB-CG2 4.15Å; F760-I763 HydrophobicContact CD1-CG2 4.42Å; I763-S765 PolarHBondContact O-N 3.43Å; I763-S765 VanDerWaalsContact O-N 3.08Å; I763-S766 PolarHBondContact N-OG 2.77Å; I763-S766 PolarHBondContact O-N 2.9Å; I763-S766 PolarHBondContact O-OG 3.18Å; I763-C832 HydrophobicContact CG1-CB 3.89Å; I763-C832 WeakPolarHBondContact O-CB 3.46Å
764	L	86.6	Confident	77.2	Confident	16 Å²	16	44.3 Å²	44.3	8%	0.084	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-100.9	173.3	-64.6	169	0	0	0	113.8	L644 L737 Q738 V821 C832 F833 T838 L842	L644-L764 HydrophobicContact CD2-CD1 4.37Å; L737-L764 HydrophobicContact CD1-CD1 4.42Å; L737-L764 HydrophobicContact CD1-CD2 4Å; L737-L764 HydrophobicContact CD1-CG 3.99Å; L737-L764 WeakPolarHBondContact O-CA 3.22Å; L737-L764 PolarHBondContact O-N 3.45Å; Q738-L764 PolarHBondContact O-N 3.43Å; L764-V821 HydrophobicContact CD1-CG1 3.64Å; L764-C832 HydrophobicContact CB-CB 4.15Å; L764-C832 WeakPolarHBondContact CB-O 3.43Å; L764-C832 HydrophobicContact CD1-CB 4.36Å; L764-F833 HydrophobicContact CD1-CE1 4.26Å; L764-T838 HydrophobicContact CB-CG2 3.82Å; L764-T838 HydrophobicContact CD1-CG2 3.96Å; L764-T838 HydrophobicContact CD2-CG2 4.27Å; L764-T838 HydrophobicContact CG-CG2 4.25Å; L764-L842 HydrophobicContact CD2-CD1 4.43Å; L764-L842 HydrophobicContact CD2-CD2 4.46Å
765	S	82	Confident	75.4	Confident	40 Å²	40	49 Å²	49	28%	0.28	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	0.9	179.5	-55.5	0	0	0	0	113.6	I763 C832 H834 T838	I763-S765 PolarHBondContact O-N 3.43Å; I763-S765 VanDerWaalsContact O-N 3.08Å; S765-C832 WeakPolarHBondContact CB-O 3.43Å; S765-C832 PolarHBondContact N-O 2.65Å; S765-C832 VanDerWaalsContact N-O 3.13Å; S765-H834 WeakPolarHBondContact CB-ND1 3.5Å; S765-T838 PolarHBondContact OG-OG1 2.71Å
766	S	77.4	Confident	73.9	Confident	9 Å²	9	49.6 Å²	49.6	6%	0.063	27%	0.269	C	S	.	.			trans	-85.8	147.4	175.4	64	0	0	0	0	111.8	F762 I763	F762-S766 WeakPolarHBondContact CA-OG 3.49Å; I763-S766 PolarHBondContact N-OG 2.77Å; I763-S766 PolarHBondContact O-N 2.9Å; I763-S766 PolarHBondContact O-OG 3.18Å
767	S	66.9	Low	72.4	Confident	42 Å²	42	50.4 Å²	50.4	29%	0.294	28%	0.275	S	S	.	.			trans	-143.7	139.3	-179.5	-178.2	0	0	0	0	110.3	R769	S767-R769 PolarHBondContact O-N 2.69Å
768	P	63.2	Low	71.9	Confident	15 Å²	15	50.6 Å²	50.6	10%	0.097	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61	113.2	176.1	24	-33.3	0	0	0	111.1	D741 F762 N770 L771	D741-P768 HydrophobicContact CB-CG 4.32Å; F762-P768 HydrophobicContact CD2-CB 4.36Å; F762-P768 HydrophobicContact CE1-CB 4.37Å; F762-P768 HydrophobicContact CE2-CB 4.13Å; F762-P768 HydrophobicContact CZ-CB 4.14Å; P768-N770 PolarHBondContact O-N 3.24Å; P768-L771 PolarHBondContact O-N 2.93Å
769	R	60.2	Low	71.5	Confident	218 Å²	218	48.8 Å²	48.8	82%	0.823	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	56.6	25.6	175.1	-55.9	-176	-178.7	-151.3	1.2	115.7	S767 L771	S767-R769 PolarHBondContact O-N 2.69Å; R769-L771 HydrophobicContact CB-CD1 4.11Å; R769-L771 HydrophobicContact CB-CG 3.97Å; R769-L771 PolarHBondContact O-N 2.79Å
770	N	53.4	Low	71.5	Confident	148 Å²	148	46.4 Å²	46.4	79%	0.791	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	55.5	19.9	-178.4	-62.1	-14.8	0	0	0	114.9	P768 G772	P768-N770 PolarHBondContact O-N 3.24Å; N770-G772 VanDerWaalsContact C-N 3.26Å; N770-G772 PolarHBondContact O-N 2.74Å
771	L	53.9	Low	71.4	Confident	64 Å²	64	47.5 Å²	47.5	34%	0.335	26%	0.261	S	S	.	.			trans	-71.3	-16.4	-169.1	-70.4	171.7	0	0	0	114.4	P768 R769 F773	P768-L771 PolarHBondContact O-N 2.93Å; R769-L771 HydrophobicContact CB-CD1 4.11Å; R769-L771 HydrophobicContact CB-CG 3.97Å; R769-L771 PolarHBondContact O-N 2.79Å; L771-F773 HydrophobicContact CB-CD2 3.7Å; L771-F773 HydrophobicContact CB-CE2 3.82Å; L771-F773 HydrophobicContact CB-CG 4.35Å; L771-F773 HydrophobicContact CD1-CD2 4.35Å; L771-F773 HydrophobicContact CD1-CE2 4.2Å; L771-F773 HydrophobicContact CD2-CE2 4.06Å; L771-F773 HydrophobicContact CG-CD2 4.48Å; L771-F773 HydrophobicContact CG-CE2 4.24Å; L771-F773 WeakPolarHBondContact O-CD1 3.24Å; L771-F773 PolarHBondContact O-N 3.3Å
772	G	53.1	Low	71.6	Confident	53 Å²	53	50.4 Å²	50.4	55%	0.546	28%	0.278	S	S	.	.			trans	67.4	-6.4	174.4	0	0	0	0	0	116.3	N770 E774	N770-G772 VanDerWaalsContact C-N 3.26Å; N770-G772 PolarHBondContact O-N 2.74Å; G772-E774 VanDerWaalsContact C-N 3.33Å; G772-E774 PolarHBondContact O-N 3.5Å
773	F	51.1	Low	71.8	Confident	101 Å²	101	49.4 Å²	49.4	44%	0.443	27%	0.274	S	S	.	.			trans	-64.7	-29.1	-172.9	-59.2	-42.9	0	0	0	114.4	L771 T775 T871	L771-F773 HydrophobicContact CB-CD2 3.7Å; L771-F773 HydrophobicContact CB-CE2 3.82Å; L771-F773 HydrophobicContact CB-CG 4.35Å; L771-F773 HydrophobicContact CD1-CD2 4.35Å; L771-F773 HydrophobicContact CD1-CE2 4.2Å; L771-F773 HydrophobicContact CD2-CE2 4.06Å; L771-F773 HydrophobicContact CG-CD2 4.48Å; L771-F773 HydrophobicContact CG-CE2 4.24Å; L771-F773 WeakPolarHBondContact O-CD1 3.24Å; L771-F773 PolarHBondContact O-N 3.3Å; F773-T775 PolarHBondContact O-N 2.99Å; F773-T871 WeakPolarHBondContact O-CB 3.45Å; F773-T871 WeakPolarHBondContact O-CG2 3.47Å
774	E	57.6	Low	72.1	Confident	29 Å²	29	49.6 Å²	49.6	14%	0.136	28%	0.275	C	S	.	.			trans	-87.9	73.5	-173	-162	177.9	-153.3	0	0	112.4	K740 D741 R742 G772	K740-E774 WeakPolarHBondContact CA-OE2 3.36Å; K740-E774 WeakPolarHBondContact CB-OE2 3.46Å; K740-E774 HydrophobicContact CD-CB 4.3Å; K740-E774 HydrophobicContact CD-CG 4.21Å; K740-E774 WeakPolarHBondContact CD-OE2 3.4Å; K740-E774 PolarHBondContact NZ-O 3.37Å; D741-E774 PolarHBondContact N-OE1 3.44Å; D741-E774 PolarHBondContact N-OE2 3.15Å; R742-E774 PolarHBondContact N-OE1 2.95Å; G772-E774 VanDerWaalsContact C-N 3.33Å; G772-E774 PolarHBondContact O-N 3.5Å
775	T	59.8	Low	72.5	Confident	103 Å²	103	49.2 Å²	49.2	63%	0.632	27%	0.274	S	S	*	.			trans	-76.4	-21.4	-177.6	51.1	0	0	0	0	114.7	F773 T871	F773-T775 PolarHBondContact O-N 2.99Å; T775-T871 PolarHBondContact OG1-OG1 2.99Å
776	S	64.9	Low	73	Confident	13 Å²	13	50.9 Å²	50.9	9%	0.091	28%	0.28	C	S	.	.	S	Bend	trans	-70.7	155.8	-179.3	-60.9	0	0	0	0	113.3	K740 S869	K740-S776 PolarHBondContact NZ-O 2.98Å; S776-S869 WeakPolarHBondContact OG-CB 3.47Å; S776-S869 PolarHBondContact OG-OG 2.99Å
777	A	67.2	Low	73.9	Confident	16 Å²	16	50.5 Å²	50.5	13%	0.132	28%	0.277	C	S	.	.	S	Bend	trans	-75.7	-34.5	177.5	0	0	0	0	0	113	C734 Y735 L862	C734-A777 CarbonylContact C-O 3.55Å; C734-A777 VanDerWaalsContact C-O 3.27Å; Y735-A777 HydrophobicContact CD2-CB 3.97Å; Y735-A777 PolarHBondContact N-O 3.28Å; A777-L862 HydrophobicContact CB-CD2 3.87Å
778	F	83.5	Confident	75.3	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.039	26%	0.263	C	S	.	.	S	Bend	trans	-156.7	171.7	176.5	50.3	-92	0	0	0	109.7	C734 L780 Y799 M803 L862 V863	C734-F778 HydrophobicContact CB-CB 3.71Å; F778-L780 HydrophobicContact CD2-CB 4.1Å; F778-L780 HydrophobicContact CE2-CB 3.96Å; F778-L780 HydrophobicContact CE2-CD2 4.12Å; F778-Y799 WeakPolarHBondContact CE2-OH 3.23Å; F778-M803 HydrophobicContact CE1-CE 3.69Å; F778-M803 HydrophobicContact CZ-CE 3.83Å; F778-M803 HydrophobicContact CZ-SD 4.22Å; F778-L862 HydrophobicContact CE1-CB 4.18Å; F778-V863 HydrophobicContact CZ-CG2 4.08Å
779	K	83.9	Confident	76.7	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.022	28%	0.283	C	S	.	.			trans	-91.5	124.3	173.5	177.7	162.5	-172.6	177	0	110	R742 N744 I747 T781 T872 D876	R742-K779 HydrophobicContact CB-CB 4.31Å; R742-K779 VanDerWaalsContact O-CD 3.28Å; R742-K779 WeakPolarHBondContact O-CD 3.4Å; N744-K779 PolarHBondContact OD1-NZ 2.69Å; I747-K779 HydrophobicContact CD1-CD 4.33Å; K779-T781 HydrophobicContact CD-CG2 4.47Å; K779-T781 HydrophobicContact CG-CG2 4.23Å; K779-T872 HydrophobicContact CD-CG2 3.97Å; K779-T872 HydrophobicContact CG-CG2 3.96Å; K779-D876 WeakPolarHBondContact CE-OD2 3.12Å; K779-D876 IonicContact NZ-OD1 2.73Å; K779-D876 PolarHBondContact NZ-OD1 3.33Å; K779-D876 IonicContact NZ-OD2 2.77Å; K779-D876 PolarHBondContact NZ-OD2 3.41Å
780	L	88.1	Confident	78.2	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	25%	0.254	C	S	.	.			trans	-141.5	107.3	171.8	179.9	61.4	0	0	0	107.9	F778 F784 V785 M788 F796 Y799 V863 M867	F778-L780 HydrophobicContact CD2-CB 4.1Å; F778-L780 HydrophobicContact CE2-CB 3.96Å; F778-L780 HydrophobicContact CE2-CD2 4.12Å; L780-F784 HydrophobicContact CD1-CB 3.86Å; L780-F784 HydrophobicContact CD1-CD2 4.24Å; L780-V785 HydrophobicContact CD1-CG2 4.2Å; L780-V785 HydrophobicContact CG-CG2 4.31Å; L780-M788 HydrophobicContact CD1-CE 4.46Å; L780-F796 HydrophobicContact CD2-CE2 4.43Å; L780-Y799 HydrophobicContact CD2-CE1 4.08Å; L780-V863 HydrophobicContact CD2-CG1 3.9Å; L780-M867 HydrophobicContact CD2-CG 3.53Å; L780-M867 HydrophobicContact CD2-SD 4.2Å; L780-M867 HydrophobicContact CG-CG 3.88Å
781	T	88	Confident	80	Confident	27 Å²	27	38.4 Å²	38.4	17%	0.166	24%	0.241	C	C	.	.			trans	-94.5	166	-178.4	56.5	0	0	0	0	111.2	K779 E783 F784 V785	K779-T781 HydrophobicContact CD-CG2 4.47Å; K779-T781 HydrophobicContact CG-CG2 4.23Å; T781-E783 VanDerWaalsContact C-N 3.28Å; T781-E783 PolarHBondContact O-N 3.29Å; T781-F784 PolarHBondContact O-N 3.45Å; T781-F784 WeakPolarHBondContact OG1-CD1 3.42Å; T781-F784 PolarHBondContact OG1-N 2.83Å; T781-V785 PolarHBondContact O-N 3.09Å
782	S	87.4	Confident	81.8	Confident	79 Å²	79	42.8 Å²	42.8	55%	0.552	26%	0.264	S	S	*	.	H	α-helix	trans	-55.8	-46.2	168.7	50.8	0	0	0	0	110.8	F784 V785 D786	S782-F784 PolarHBondContact O-N 3.5Å; S782-V785 CarbonylContact O-C 3.56Å; S782-V785 WeakPolarHBondContact O-CA 3.43Å; S782-V785 WeakPolarHBondContact O-CB 3.42Å; S782-V785 PolarHBondContact O-N 3.48Å; S782-D786 PolarHBondContact O-N 2.92Å
783	E	90.4	Very high	83.7	Confident	46 Å²	46	40.9 Å²	40.9	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-28.1	178.3	-62.9	175.2	173.5	0	0	113.5	R693 L700 T781 D786 V787	R693-E783 IonicContact CZ-OE1 2.76Å; R693-E783 VanDerWaalsContact CZ-OE1 3.24Å; R693-E783 IonicContact NH1-OE1 2.7Å; R693-E783 PolarHBondContact NH1-OE1 3.34Å; R693-E783 IonicContact NH1-OE2 2.77Å; R693-E783 PolarHBondContact NH1-OE2 3.12Å; R693-E783 IonicContact NH2-OE1 3.2Å; R693-E783 PolarHBondContact NH2-OE1 2.93Å; L700-E783 HydrophobicContact CB-CB 4.3Å; T781-E783 VanDerWaalsContact C-N 3.28Å; T781-E783 PolarHBondContact O-N 3.29Å; E783-D786 WeakPolarHBondContact CA-OD2 3.44Å; E783-D786 PolarHBondContact N-OD2 3.28Å; E783-V787 WeakPolarHBondContact O-CG2 3.32Å; E783-V787 PolarHBondContact O-N 2.91Å
784	F	94.6	Very high	85.8	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-77.1	-42	173	-76.4	22.7	0	0	0	111.4	L689 L700 F723 I747 I755 L780 T781 S782 D786 V787 M788	L689-F784 HydrophobicContact CD1-CE1 3.62Å; L689-F784 HydrophobicContact CD1-CZ 3.58Å; L700-F784 HydrophobicContact CD2-CD1 3.75Å; L700-F784 HydrophobicContact CD2-CE1 3.89Å; F723-F784 HydrophobicContact CE1-CB 4.16Å; F723-F784 HydrophobicContact CE1-CG 4.33Å; F723-F784 HydrophobicContact CZ-CB 4.02Å; F723-F784 AromaticContact CZ-CD1 3.88Å; F723-F784 HydrophobicContact CZ-CD1 3.88Å; F723-F784 HydrophobicContact CZ-CD2 4.1Å; F723-F784 HydrophobicContact CZ-CE1 4.39Å; F723-F784 AromaticContact CZ-CG 3.73Å; F723-F784 HydrophobicContact CZ-CG 3.73Å; I747-F784 HydrophobicContact CD1-CZ 4.28Å; I755-F784 HydrophobicContact CD1-CE2 4.06Å; L780-F784 HydrophobicContact CD1-CB 3.86Å; L780-F784 HydrophobicContact CD1-CD2 4.24Å; T781-F784 PolarHBondContact O-N 3.45Å; T781-F784 WeakPolarHBondContact OG1-CD1 3.42Å; T781-F784 PolarHBondContact OG1-N 2.83Å; S782-F784 PolarHBondContact O-N 3.5Å; F784-D786 VanDerWaalsContact C-N 3.31Å; F784-V787 PolarHBondContact O-N 3.47Å; F784-M788 VanDerWaalsContact O-CG 3.32Å; F784-M788 WeakPolarHBondContact O-CG 3.46Å; F784-M788 PolarHBondContact O-N 2.75Å
785	V	94.8	Very high	87.6	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-36.1	176.2	178.3	0	0	0	0	111.1	L780 T781 S782 M788 G789 G790 L791 F796 M867	L780-V785 HydrophobicContact CD1-CG2 4.2Å; L780-V785 HydrophobicContact CG-CG2 4.31Å; T781-V785 PolarHBondContact O-N 3.09Å; S782-V785 CarbonylContact O-C 3.56Å; S782-V785 WeakPolarHBondContact O-CA 3.43Å; S782-V785 WeakPolarHBondContact O-CB 3.42Å; S782-V785 PolarHBondContact O-N 3.48Å; V785-M788 CarbonylContact O-C 3.55Å; V785-M788 WeakPolarHBondContact O-CA 3.36Å; V785-M788 WeakPolarHBondContact O-CB 3.22Å; V785-M788 PolarHBondContact O-N 3.48Å; V785-G789 PolarHBondContact O-N 3.24Å; V785-G789 VanDerWaalsContact O-N 3.14Å; V785-G790 PolarHBondContact O-N 3.14Å; V785-L791 HydrophobicContact CG1-CD2 3.86Å; V785-L791 HydrophobicContact CG1-CG 4.12Å; V785-F796 HydrophobicContact CG1-CD2 4.21Å; V785-F796 HydrophobicContact CG1-CE2 4.35Å; V785-F796 HydrophobicContact CG2-CD2 4.28Å; V785-F796 HydrophobicContact CG2-CE2 3.88Å; V785-M867 HydrophobicContact CG2-SD 3.95Å
786	D	94.4	Very high	89.4	Confident	75 Å²	75	38.8 Å²	38.8	40%	0.401	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-43.2	176.1	-57.7	-35.3	0	0	0	110.8	L701 S782 E783 F784 M788 G789	L701-D786 HydrophobicContact CD2-CB 4.43Å; S782-D786 PolarHBondContact O-N 2.92Å; E783-D786 WeakPolarHBondContact CA-OD2 3.44Å; E783-D786 PolarHBondContact N-OD2 3.28Å; F784-D786 VanDerWaalsContact C-N 3.31Å; D786-M788 VanDerWaalsContact C-N 3.27Å; D786-M788 PolarHBondContact O-N 2.73Å; D786-G789 PolarHBondContact O-N 3.03Å
787	V	95.3	Very high	90.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-34	170	173.6	0	0	0	0	111.9	L700 L701 F704 Q720 F723 E783 F784 G789	L700-V787 HydrophobicContact CB-CG2 4.18Å; L700-V787 HydrophobicContact CD2-CG2 4.09Å; L700-V787 HydrophobicContact CG-CG2 3.86Å; L701-V787 HydrophobicContact CB-CG2 4.16Å; F704-V787 HydrophobicContact CD1-CG1 4.1Å; F704-V787 HydrophobicContact CD2-CG2 4.44Å; F704-V787 HydrophobicContact CE1-CG1 4.01Å; F704-V787 HydrophobicContact CE2-CG1 4.46Å; F704-V787 HydrophobicContact CG-CG1 4.38Å; F704-V787 HydrophobicContact CZ-CG1 4.2Å; Q720-V787 WeakPolarHBondContact CG-O 3.16Å; Q720-V787 PolarHBondContact NE2-O 2.72Å; F723-V787 HydrophobicContact CB-CG1 4.37Å; F723-V787 HydrophobicContact CD1-CB 4.16Å; F723-V787 HydrophobicContact CD1-CG1 3.48Å; F723-V787 VanDerWaalsContact CD1-CG1 3.48Å; F723-V787 HydrophobicContact CD2-CG1 4.31Å; F723-V787 HydrophobicContact CE1-CB 3.88Å; F723-V787 HydrophobicContact CE1-CG1 3.71Å; F723-V787 HydrophobicContact CE2-CG1 4.5Å; F723-V787 HydrophobicContact CG-CG1 3.81Å; F723-V787 HydrophobicContact CZ-CB 4.29Å; F723-V787 HydrophobicContact CZ-CG1 4.22Å; E783-V787 WeakPolarHBondContact O-CG2 3.32Å; E783-V787 PolarHBondContact O-N 2.91Å; F784-V787 PolarHBondContact O-N 3.47Å; V787-G789 PolarHBondContact O-N 2.82Å
788	M	95.8	Very high	92.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	5.4	173.8	-61.2	-177.4	-162.6	0	0	114.3	F723 V724 C727 L780 F784 V785 D786 M795 F796 Y799	F723-M788 HydrophobicContact CD1-CE 4.14Å; F723-M788 HydrophobicContact CD1-CG 4.29Å; F723-M788 HydrophobicContact CE1-CE 3.83Å; F723-M788 HydrophobicContact CE1-CG 4.29Å; V724-M788 HydrophobicContact CG2-CB 4.49Å; V724-M788 HydrophobicContact CG2-CG 3.78Å; V724-M788 HydrophobicContact CG2-SD 4.27Å; C727-M788 HydrophobicContact CB-CE 3.74Å; C727-M788 VanDerWaalsContact SG-CE 3.58Å; L780-M788 HydrophobicContact CD1-CE 4.46Å; F784-M788 VanDerWaalsContact O-CG 3.32Å; F784-M788 WeakPolarHBondContact O-CG 3.46Å; F784-M788 PolarHBondContact O-N 2.75Å; V785-M788 CarbonylContact O-C 3.55Å; V785-M788 WeakPolarHBondContact O-CA 3.36Å; V785-M788 WeakPolarHBondContact O-CB 3.22Å; V785-M788 PolarHBondContact O-N 3.48Å; D786-M788 VanDerWaalsContact C-N 3.27Å; D786-M788 PolarHBondContact O-N 2.73Å; M788-M795 WeakPolarHBondContact O-CB 3.38Å; M788-F796 HydrophobicContact CB-CB 4.16Å; M788-F796 HydrophobicContact SD-CD2 3.98Å; M788-Y799 HydrophobicContact CE-CD2 3.83Å; M788-Y799 HydrophobicContact CE-CE2 4.15Å; M788-Y799 HydrophobicContact CE-CG 4.18Å; M788-Y799 HydrophobicContact SD-CD1 4.26Å; M788-Y799 HydrophobicContact SD-CD2 4.1Å; M788-Y799 HydrophobicContact SD-CG 3.82Å
789	G	92.3	Very high	93.1	Very high	50 Å²	50	43.7 Å²	43.7	52%	0.515	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	21	177.5	0	0	0	0	0	115.1	V785 D786 V787	V785-G789 PolarHBondContact O-N 3.24Å; V785-G789 VanDerWaalsContact O-N 3.14Å; D786-G789 PolarHBondContact O-N 3.03Å; V787-G789 PolarHBondContact O-N 2.82Å
790	G	92.8	Very high	93.7	Very high	21 Å²	21	45.4 Å²	45.4	22%	0.216	26%	0.261	C	S	.	.			trans	91.3	172.7	177.4	0	0	0	0	0	114.6	V785 D792 G793 F796	V785-G790 PolarHBondContact O-N 3.14Å; G790-D792 VanDerWaalsContact C-N 3.29Å; G790-D792 PolarHBondContact O-N 3.28Å; G790-G793 PolarHBondContact O-N 3.3Å; G790-G793 VanDerWaalsContact O-N 3.1Å; G790-F796 VanDerWaalsContact O-CB 3.25Å; G790-F796 WeakPolarHBondContact O-CB 3.38Å
791	L	90.6	Very high	94.1	Very high	98 Å²	98	49.1 Å²	49.1	51%	0.513	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31	-176.1	-67	171.8	0	0	0	113.8	V785 F796 M867	V785-L791 HydrophobicContact CG1-CD2 3.86Å; V785-L791 HydrophobicContact CG1-CG 4.12Å; L791-F796 HydrophobicContact CD2-CE1 4.13Å; L791-F796 HydrophobicContact CD2-CZ 3.99Å; L791-F796 WeakPolarHBondContact O-CD1 3.4Å; L791-M867 HydrophobicContact CD2-CE 3.8Å; L791-M867 HydrophobicContact CD2-SD 3.48Å; L791-M867 WeakPolarHBondContact CD2-SD 3.41Å
792	D	91.3	Very high	94.6	Very high	156 Å²	156	47.9 Å²	47.9	83%	0.834	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6.4	177.6	-58.3	-64.1	0	0	0	112.5	G790	G790-D792 VanDerWaalsContact C-N 3.29Å; G790-D792 PolarHBondContact O-N 3.28Å
793	G	92.9	Very high	95.1	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	25%	0.245	C	C	.	.			trans	-75.5	141.1	-177.6	0	0	0	0	0	113.3	G790 M795 F796 I797	G790-G793 PolarHBondContact O-N 3.3Å; G790-G793 VanDerWaalsContact O-N 3.1Å; G793-M795 PolarHBondContact O-N 3.05Å; G793-M795 VanDerWaalsContact O-N 3.11Å; G793-F796 WeakPolarHBondContact O-CB 3.31Å; G793-F796 PolarHBondContact O-N 2.95Å; G793-I797 PolarHBondContact O-N 3.4Å
794	D	95.7	Very high	95.5	Very high	143 Å²	143	43.2 Å²	43.2	77%	0.765	24%	0.241	S	C	*	.	H	α-helix	trans	-51.4	-38.1	178.9	-71.5	-41.3	0	0	0	112.8	I797 Y798	D794-I797 PolarHBondContact O-N 2.97Å; D794-Y798 VanDerWaalsContact O-CB 3.3Å; D794-Y798 WeakPolarHBondContact O-CB 3.47Å; D794-Y798 PolarHBondContact O-N 2.97Å
795	M	96.8	Very high	95.7	Very high	41 Å²	41	46.5 Å²	46.5	20%	0.202	26%	0.257	C	S	.	.	H	α-helix	trans	-71.9	-30.1	179.2	-79	-67.3	-169	0	0	113.2	Q720 R721 V724 M788 G793 Y798 Y799	Q720-M795 HydrophobicContact CG-CE 4.5Å; Q720-M795 HydrophobicContact CG-CG 4.14Å; R721-M795 HydrophobicContact CB-CE 4.09Å; V724-M795 HydrophobicContact CG2-CB 4.01Å; V724-M795 HydrophobicContact CG2-SD 4.19Å; M788-M795 WeakPolarHBondContact O-CB 3.38Å; G793-M795 PolarHBondContact O-N 3.05Å; G793-M795 VanDerWaalsContact O-N 3.11Å; M795-Y798 HydrophobicContact SD-CD1 4.1Å; M795-Y799 WeakPolarHBondContact O-CB 3.49Å; M795-Y799 PolarHBondContact O-N 3.35Å
796	F	96.8	Very high	95.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-75.7	-36.3	171.9	-175.6	-100.5	0	0	0	111.9	L780 V785 M788 G790 L791 G793 Y798 Y799 K800 V863 M867	L780-F796 HydrophobicContact CD2-CE2 4.43Å; V785-F796 HydrophobicContact CG1-CD2 4.21Å; V785-F796 HydrophobicContact CG1-CE2 4.35Å; V785-F796 HydrophobicContact CG2-CD2 4.28Å; V785-F796 HydrophobicContact CG2-CE2 3.88Å; M788-F796 HydrophobicContact CB-CB 4.16Å; M788-F796 HydrophobicContact SD-CD2 3.98Å; G790-F796 VanDerWaalsContact O-CB 3.25Å; G790-F796 WeakPolarHBondContact O-CB 3.38Å; L791-F796 HydrophobicContact CD2-CE1 4.13Å; L791-F796 HydrophobicContact CD2-CZ 3.99Å; L791-F796 WeakPolarHBondContact O-CD1 3.4Å; G793-F796 WeakPolarHBondContact O-CB 3.31Å; G793-F796 PolarHBondContact O-N 2.95Å; F796-Y798 VanDerWaalsContact C-N 3.33Å; F796-Y799 HydrophobicContact CD2-CD1 4.27Å; F796-Y799 HydrophobicContact CE2-CD1 4.24Å; F796-Y799 HydrophobicContact CE2-CE1 4.47Å; F796-Y799 WeakPolarHBondContact O-CB 3.34Å; F796-Y799 PolarHBondContact O-N 2.94Å; F796-K800 HydrophobicContact CE1-CD 4.08Å; F796-K800 PolarHBondContact O-N 3.2Å; F796-K800 VanDerWaalsContact O-N 3.09Å; F796-V863 HydrophobicContact CE2-CG1 4.17Å; F796-V863 HydrophobicContact CZ-CG1 3.61Å; F796-M867 HydrophobicContact CE2-SD 4.07Å; F796-M867 HydrophobicContact CZ-CE 4.1Å; F796-M867 HydrophobicContact CZ-SD 3.72Å
797	I	96.6	Very high	96	Very high	93 Å²	93	42.6 Å²	42.6	48%	0.477	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-42.7	169.7	-61.6	171	0	0	0	110	G793 D794 K800 M801	G793-I797 PolarHBondContact O-N 3.4Å; D794-I797 PolarHBondContact O-N 2.97Å; I797-K800 PolarHBondContact O-N 3.45Å; I797-M801 PolarHBondContact O-N 3Å
798	Y	97.9	Very high	96.1	Very high	49 Å²	49	43.8 Å²	43.8	19%	0.192	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-43.6	174.5	-176	-128.5	0	0	0	112	V724 Q725 D794 M795 F796 K800 M801 L802	V724-Y798 HydrophobicContact CG1-CD1 3.63Å; V724-Y798 HydrophobicContact CG1-CE1 4.2Å; V724-Y798 HydrophobicContact CG1-CG 4.45Å; Q725-Y798 HydrophobicContact CG-CE1 4.22Å; Q725-Y798 PolarHBondContact NE2-OH 3.27Å; D794-Y798 VanDerWaalsContact O-CB 3.3Å; D794-Y798 WeakPolarHBondContact O-CB 3.47Å; D794-Y798 PolarHBondContact O-N 2.97Å; M795-Y798 HydrophobicContact SD-CD1 4.1Å; F796-Y798 VanDerWaalsContact C-N 3.33Å; Y798-K800 PolarHBondContact O-N 3.47Å; Y798-M801 HydrophobicContact CD2-CE 3.64Å; Y798-M801 HydrophobicContact CE2-CE 3.71Å; Y798-M801 PolarHBondContact O-N 2.95Å; Y798-L802 HydrophobicContact CD1-CD1 4.08Å; Y798-L802 HydrophobicContact CD2-CG 4.23Å; Y798-L802 HydrophobicContact CE1-CD1 3.72Å; Y798-L802 HydrophobicContact CE1-CG 4.34Å; Y798-L802 HydrophobicContact CE2-CD1 4.22Å; Y798-L802 HydrophobicContact CE2-CD2 3.86Å; Y798-L802 HydrophobicContact CE2-CG 3.95Å; Y798-L802 HydrophobicContact CG-CD1 4.48Å; Y798-L802 WeakPolarHBondContact O-CG 3.44Å; Y798-L802 PolarHBondContact O-N 3.15Å
799	Y	98.1	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.1	-50.2	171.9	165.2	-100.6	0	0	0	112.1	C727 A728 S731 F778 L780 M788 M795 F796 M801 L802 M803 V863	C727-Y799 HydrophobicContact CB-CD2 4.38Å; C727-Y799 HydrophobicContact CB-CE2 4.17Å; A728-Y799 HydrophobicContact CB-CD2 3.77Å; A728-Y799 HydrophobicContact CB-CE2 4.08Å; S731-Y799 PolarHBondContact OG-OH 2.94Å; F778-Y799 WeakPolarHBondContact CE2-OH 3.23Å; L780-Y799 HydrophobicContact CD2-CE1 4.08Å; M788-Y799 HydrophobicContact CE-CD2 3.83Å; M788-Y799 HydrophobicContact CE-CE2 4.15Å; M788-Y799 HydrophobicContact CE-CG 4.18Å; M788-Y799 HydrophobicContact SD-CD1 4.26Å; M788-Y799 HydrophobicContact SD-CD2 4.1Å; M788-Y799 HydrophobicContact SD-CG 3.82Å; M795-Y799 WeakPolarHBondContact O-CB 3.49Å; M795-Y799 PolarHBondContact O-N 3.35Å; F796-Y799 HydrophobicContact CD2-CD1 4.27Å; F796-Y799 HydrophobicContact CE2-CD1 4.24Å; F796-Y799 HydrophobicContact CE2-CE1 4.47Å; F796-Y799 WeakPolarHBondContact O-CB 3.34Å; F796-Y799 PolarHBondContact O-N 2.94Å; Y799-M801 PolarHBondContact O-N 2.67Å; Y799-L802 PolarHBondContact O-N 3.39Å; Y799-M803 HydrophobicContact CE1-SD 3.81Å; Y799-M803 HydrophobicContact CE2-CG 4.4Å; Y799-M803 HydrophobicContact CE2-SD 4.05Å; Y799-M803 PolarHBondContact O-N 2.87Å; Y799-M803 PolarHBondContact OH-SD 3.07Å; Y799-V863 HydrophobicContact CE1-CG1 4.29Å; Y799-V863 HydrophobicContact CE1-CG2 3.8Å
800	K	97.2	Very high	96.5	Very high	40 Å²	40	41.5 Å²	41.5	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-41.1	177.1	-69.1	-166.3	-73	173.5	0	112.4	F796 I797 Y798 M803 L804 E860 V863	F796-K800 HydrophobicContact CE1-CD 4.08Å; F796-K800 PolarHBondContact O-N 3.2Å; F796-K800 VanDerWaalsContact O-N 3.09Å; I797-K800 PolarHBondContact O-N 3.45Å; Y798-K800 PolarHBondContact O-N 3.47Å; K800-M803 PolarHBondContact O-N 3.34Å; K800-L804 PolarHBondContact O-N 3.04Å; K800-L804 VanDerWaalsContact O-N 3.13Å; K800-E860 WeakPolarHBondContact CD-OE1 3.28Å; K800-E860 IonicContact NZ-OE1 2.72Å; K800-E860 PolarHBondContact NZ-OE1 3.08Å; K800-E860 IonicContact NZ-OE2 2.6Å; K800-E860 PolarHBondContact NZ-OE2 3.46Å; K800-V863 HydrophobicContact CD-CG1 4.34Å; K800-V863 HydrophobicContact CG-CG2 4.3Å
801	M	97.3	Very high	96.7	Very high	83 Å²	83	42.1 Å²	42.1	41%	0.409	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-41.2	175.7	-170.8	-168.5	73.9	0	0	112.3	I797 Y798 Y799 L804 Q805	I797-M801 PolarHBondContact O-N 3Å; Y798-M801 HydrophobicContact CD2-CE 3.64Å; Y798-M801 HydrophobicContact CE2-CE 3.71Å; Y798-M801 PolarHBondContact O-N 2.95Å; Y799-M801 PolarHBondContact O-N 2.67Å; M801-L804 PolarHBondContact O-N 2.96Å; M801-Q805 WeakPolarHBondContact O-CG 3.22Å; M801-Q805 PolarHBondContact O-N 2.98Å
802	L	98.4	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-38.6	177	-71.6	-179.9	0	0	0	112.4	P662 L663 V724 Q725 A728 Y798 Y799 G806	P662-L802 HydrophobicContact CG-CD2 3.76Å; L663-L802 HydrophobicContact CD2-CB 3.85Å; L663-L802 HydrophobicContact CD2-CD1 4.42Å; V724-L802 HydrophobicContact CG1-CD1 4.02Å; Q725-L802 HydrophobicContact CB-CD1 4.46Å; Q725-L802 HydrophobicContact CG-CD1 3.82Å; A728-L802 HydrophobicContact CB-CB 3.82Å; A728-L802 HydrophobicContact CB-CD1 4.41Å; Y798-L802 HydrophobicContact CD1-CD1 4.08Å; Y798-L802 HydrophobicContact CD2-CG 4.23Å; Y798-L802 HydrophobicContact CE1-CD1 3.72Å; Y798-L802 HydrophobicContact CE1-CG 4.34Å; Y798-L802 HydrophobicContact CE2-CD1 4.22Å; Y798-L802 HydrophobicContact CE2-CD2 3.86Å; Y798-L802 HydrophobicContact CE2-CG 3.95Å; Y798-L802 HydrophobicContact CG-CD1 4.48Å; Y798-L802 WeakPolarHBondContact O-CG 3.44Å; Y798-L802 PolarHBondContact O-N 3.15Å; Y799-L802 PolarHBondContact O-N 3.39Å; L802-G806 PolarHBondContact O-N 2.89Å
803	M	97.9	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-44.8	172.4	-74.5	-169.1	70	0	0	111.8	A728 L732 F778 Y799 K800 G806 L807 V859 V863	A728-M803 HydrophobicContact CB-CG 4.01Å; L732-M803 HydrophobicContact CD2-CB 4.4Å; L732-M803 HydrophobicContact CD2-CE 4.1Å; L732-M803 HydrophobicContact CG-CG 4.48Å; F778-M803 HydrophobicContact CE1-CE 3.69Å; F778-M803 HydrophobicContact CZ-CE 3.83Å; F778-M803 HydrophobicContact CZ-SD 4.22Å; Y799-M803 HydrophobicContact CE1-SD 3.81Å; Y799-M803 HydrophobicContact CE2-CG 4.4Å; Y799-M803 HydrophobicContact CE2-SD 4.05Å; Y799-M803 PolarHBondContact O-N 2.87Å; Y799-M803 PolarHBondContact OH-SD 3.07Å; K800-M803 PolarHBondContact O-N 3.34Å; M803-G806 PolarHBondContact O-N 3.38Å; M803-L807 VanDerWaalsContact O-CB 3.32Å; M803-L807 WeakPolarHBondContact O-CB 3.5Å; M803-L807 PolarHBondContact O-N 3.26Å; M803-V859 HydrophobicContact CB-CG1 3.81Å; M803-V859 HydrophobicContact CB-CG2 4.45Å; M803-V863 HydrophobicContact SD-CG2 3.84Å
804	L	98.1	Very high	97.3	Very high	27 Å²	27	37.2 Å²	37.2	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-50.2	177.2	179.5	58.8	0	0	0	112	K800 M801 G806 L807 I808 L855 Q856 V859	K800-L804 PolarHBondContact O-N 3.04Å; K800-L804 VanDerWaalsContact O-N 3.13Å; M801-L804 PolarHBondContact O-N 2.96Å; L804-G806 VanDerWaalsContact C-N 3.35Å; L804-G806 PolarHBondContact O-N 2.81Å; L804-L807 PolarHBondContact O-N 3.03Å; L804-I808 HydrophobicContact CD1-CD1 3.87Å; L804-I808 HydrophobicContact CD1-CG1 4.34Å; L804-I808 HydrophobicContact CG-CD1 3.93Å; L804-I808 WeakPolarHBondContact O-CG1 3.33Å; L804-I808 PolarHBondContact O-N 3.31Å; L804-L855 HydrophobicContact CD1-CB 3.54Å; L804-L855 HydrophobicContact CD1-CD1 4.48Å; L804-Q856 HydrophobicContact CD1-CB 4.44Å; L804-Q856 HydrophobicContact CD2-CB 3.83Å; L804-Q856 HydrophobicContact CD2-CG 4.04Å; L804-V859 HydrophobicContact CB-CG2 4.27Å; L804-V859 HydrophobicContact CD1-CG2 4.4Å
805	Q	98.3	Very high	97.1	Very high	74 Å²	74	34.8 Å²	34.8	35%	0.346	16%	0.162	S	C	.	.	H	α-helix	trans	-61.1	-42.5	178.3	-70.6	177.4	-4.2	0	0	112	V661 M801 I808 A809	V661-Q805 HydrophobicContact CG1-CB 3.75Å; V661-Q805 HydrophobicContact CG2-CB 4.27Å; M801-Q805 WeakPolarHBondContact O-CG 3.22Å; M801-Q805 PolarHBondContact O-N 2.98Å; Q805-I808 PolarHBondContact O-N 3.47Å; Q805-A809 WeakPolarHBondContact O-CB 3.35Å; Q805-A809 PolarHBondContact O-N 2.87Å
806	G	98.2	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-35.4	177.5	0	0	0	0	0	113.8	W656 L802 M803 L804 A810	W656-G806 PolarHBondContact NE1-O 2.9Å; L802-G806 PolarHBondContact O-N 2.89Å; M803-G806 PolarHBondContact O-N 3.38Å; L804-G806 VanDerWaalsContact C-N 3.35Å; L804-G806 PolarHBondContact O-N 2.81Å; G806-A810 VanDerWaalsContact O-CB 3.27Å; G806-A810 WeakPolarHBondContact O-CB 3.13Å; G806-A810 PolarHBondContact O-N 3.48Å
807	L	98	Very high	96.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-72.2	-40.2	175.6	-174.9	57.9	0	0	0	111.8	L732 Y735 L736 M803 L804 A810 R811 L855 L858 V859	L732-L807 HydrophobicContact CD2-CB 4.1Å; Y735-L807 HydrophobicContact CE1-CD1 4.44Å; L736-L807 HydrophobicContact CD2-CD1 4.22Å; M803-L807 VanDerWaalsContact O-CB 3.32Å; M803-L807 WeakPolarHBondContact O-CB 3.5Å; M803-L807 PolarHBondContact O-N 3.26Å; L804-L807 PolarHBondContact O-N 3.03Å; L807-A810 PolarHBondContact O-N 2.86Å; L807-R811 WeakPolarHBondContact O-CG 3.32Å; L807-R811 PolarHBondContact O-N 3.29Å; L807-L855 HydrophobicContact CD2-CD1 4.43Å; L807-L855 HydrophobicContact CD2-CD2 3.93Å; L807-L855 HydrophobicContact CG-CD1 4.33Å; L807-L855 HydrophobicContact CG-CD2 4.48Å; L807-L858 HydrophobicContact CD2-CD2 4.41Å; L807-V859 HydrophobicContact CD2-CG2 4.37Å
808	I	97.7	Very high	96.8	Very high	26 Å²	26	31 Å²	31	13%	0.133	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-45.9	172.6	-69.2	164.2	0	0	0	110.5	L804 Q805 R811 K812 E852 L855	L804-I808 HydrophobicContact CD1-CD1 3.87Å; L804-I808 HydrophobicContact CD1-CG1 4.34Å; L804-I808 HydrophobicContact CG-CD1 3.93Å; L804-I808 WeakPolarHBondContact O-CG1 3.33Å; L804-I808 PolarHBondContact O-N 3.31Å; Q805-I808 PolarHBondContact O-N 3.47Å; I808-R811 WeakPolarHBondContact O-CB 3.39Å; I808-R811 PolarHBondContact O-N 2.91Å; I808-K812 PolarHBondContact O-N 3.3Å; I808-E852 HydrophobicContact CD1-CB 4.28Å; I808-E852 HydrophobicContact CD1-CG 3.98Å; I808-E852 HydrophobicContact CG1-CG 4.35Å; I808-L855 HydrophobicContact CG1-CD1 3.67Å
809	A	97.9	Very high	96.6	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-45.2	174.1	0	0	0	0	0	112.1	I655 E659 V661 Q805 R811 K812 H813	I655-A809 HydrophobicContact CG2-CB 4.28Å; I655-A809 WeakPolarHBondContact CG2-O 3.35Å; E659-A809 HydrophobicContact CB-CB 3.77Å; E659-A809 HydrophobicContact CG-CB 3.78Å; V661-A809 HydrophobicContact CG2-CB 3.83Å; Q805-A809 WeakPolarHBondContact O-CB 3.35Å; Q805-A809 PolarHBondContact O-N 2.87Å; A809-R811 VanDerWaalsContact C-N 3.33Å; A809-R811 PolarHBondContact O-N 2.96Å; A809-K812 PolarHBondContact O-N 3.23Å; A809-H813 PolarHBondContact O-CD2 2.8Å
810	A	97.4	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-36.5	177.1	0	0	0	0	0	112.5	L652 L736 G806 L807 H813 M814 F846	L652-A810 HydrophobicContact CD2-CB 4.02Å; L736-A810 HydrophobicContact CD1-CB 4.21Å; G806-A810 VanDerWaalsContact O-CB 3.27Å; G806-A810 WeakPolarHBondContact O-CB 3.13Å; G806-A810 PolarHBondContact O-N 3.48Å; L807-A810 PolarHBondContact O-N 2.86Å; A810-H813 PolarHBondContact O-N 3.4Å; A810-M814 WeakPolarHBondContact O-CA 3.2Å; A810-M814 PolarHBondContact O-N 3.26Å; A810-M814 VanDerWaalsContact O-N 3.08Å; A810-F846 HydrophobicContact CB-CD1 4.48Å; A810-F846 HydrophobicContact CB-CE1 3.99Å; A810-F846 WeakPolarHBondContact O-CE1 3.19Å
811	R	97	Very high	96.4	Very high	35 Å²	35	26.9 Å²	26.9	13%	0.132	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-50.8	173.1	-80.2	176.4	71.1	-179.1	5.4	112.2	L807 I808 A809 H813 M814 F846 H847 M848 L850 L855	L807-R811 WeakPolarHBondContact O-CG 3.32Å; L807-R811 PolarHBondContact O-N 3.29Å; I808-R811 WeakPolarHBondContact O-CB 3.39Å; I808-R811 PolarHBondContact O-N 2.91Å; A809-R811 VanDerWaalsContact C-N 3.33Å; A809-R811 PolarHBondContact O-N 2.96Å; R811-H813 PolarHBondContact O-N 2.97Å; R811-M814 WeakPolarHBondContact O-CB 3.48Å; R811-M814 PolarHBondContact O-N 2.89Å; R811-F846 WeakPolarHBondContact CD-O 3.34Å; R811-F846 HydrophobicContact CG-CB 4.39Å; R811-F846 HydrophobicContact CG-CD1 4.47Å; R811-F846 WeakPolarHBondContact CG-O 3.46Å; R811-H847 PolarHBondContact NH2-O 3.1Å; R811-M848 HydrophobicContact CB-CE 4.32Å; R811-M848 HydrophobicContact CB-SD 4.17Å; R811-M848 HydrophobicContact CG-SD 4.2Å; R811-M848 PolarHBondContact NH2-O 3.27Å; R811-M848 WeakPolarHBondContact O-CE 3.29Å; R811-L850 VanDerWaalsContact CZ-O 3.27Å; R811-L850 PolarHBondContact NH1-O 2.9Å; R811-L850 PolarHBondContact NH2-O 3.15Å; R811-L855 VanDerWaalsContact NH1-CD1 3.25Å
812	K	96	Very high	96.2	Very high	129 Å²	129	25 Å²	25	56%	0.561	12%	0.115	S	C	*	.	H	α-helix	trans	-52.3	-31.5	-177.9	-67.6	174.6	-170.9	-179.1	0	113.3	E659 I808 A809	E659-K812 WeakPolarHBondContact OE2-CD 3.5Å; E659-K812 WeakPolarHBondContact OE2-CE 3.3Å; E659-K812 IonicContact OE2-NZ 2.78Å; E659-K812 PolarHBondContact OE2-NZ 3.43Å; I808-K812 PolarHBondContact O-N 3.3Å; A809-K812 PolarHBondContact O-N 3.23Å
813	H	96.1	Very high	96	Very high	28 Å²	28	25 Å²	25	13%	0.13	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	16.3	-176.1	-60.2	-85.2	0	0	0	113.9	I655 E659 A809 A810 R811 E815 K816	I655-H813 HydrophobicContact CD1-CB 3.54Å; I655-H813 HydrophobicContact CG1-CB 3.62Å; I655-H813 HydrophobicContact CG2-CB 4.16Å; E659-H813 IonicContact OE1-CD2 3.3Å; E659-H813 IonicContact OE1-CE1 3.97Å; E659-H813 IonicContact OE1-NE2 3.73Å; E659-H813 PolarHBondContact OE1-NE2 2.84Å; A809-H813 PolarHBondContact O-CD2 2.8Å; A810-H813 PolarHBondContact O-N 3.4Å; R811-H813 PolarHBondContact O-N 2.97Å; H813-E815 VanDerWaalsContact C-N 3.31Å; H813-E815 PolarHBondContact O-N 3.42Å; H813-E815 VanDerWaalsContact O-N 3.14Å; H813-K816 WeakPolarHBondContact O-CB 3.33Å; H813-K816 PolarHBondContact O-N 3.29Å
814	M	95.3	Very high	95.7	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.034	12%	0.116	C	C	.	.	H	α-helix	trans	-48.8	-44.7	-172.8	174.5	-171.1	77.3	0	0	114	A810 R811 K816 V817 L818 K843 F846 M848	A810-M814 WeakPolarHBondContact O-CA 3.2Å; A810-M814 PolarHBondContact O-N 3.26Å; A810-M814 VanDerWaalsContact O-N 3.08Å; R811-M814 WeakPolarHBondContact O-CB 3.48Å; R811-M814 PolarHBondContact O-N 2.89Å; M814-K816 PolarHBondContact O-N 2.91Å; M814-V817 PolarHBondContact O-N 3.49Å; M814-L818 HydrophobicContact CE-CD1 3.78Å; M814-L818 HydrophobicContact CG-CD1 3.68Å; M814-L818 HydrophobicContact CG-CG 3.87Å; M814-L818 PolarHBondContact O-N 2.95Å; M814-L818 HydrophobicContact SD-CD1 3.93Å; M814-K843 HydrophobicContact CE-CD 4.25Å; M814-K843 HydrophobicContact CE-CG 4.21Å; M814-K843 HydrophobicContact SD-CG 4.07Å; M814-F846 HydrophobicContact CB-CD1 3.82Å; M814-F846 HydrophobicContact CB-CE1 4.02Å; M814-F846 HydrophobicContact CB-CG 4.13Å; M814-F846 HydrophobicContact CG-CB 4.05Å; M814-F846 HydrophobicContact CG-CD1 3.73Å; M814-F846 HydrophobicContact CG-CD2 3.64Å; M814-F846 HydrophobicContact CG-CE1 4Å; M814-F846 HydrophobicContact CG-CE2 3.95Å; M814-F846 HydrophobicContact CG-CG 3.53Å; M814-F846 HydrophobicContact CG-CZ 4.11Å; M814-F846 HydrophobicContact SD-CB 3.51Å; M814-F846 VanDerWaalsContact SD-CB 3.51Å; M814-F846 HydrophobicContact SD-CD1 4.34Å; M814-F846 HydrophobicContact SD-CD2 3.94Å; M814-F846 HydrophobicContact SD-CG 3.69Å; M814-M848 HydrophobicContact CB-CE 3.61Å; M814-M848 HydrophobicContact CE-CE 3.61Å; M814-M848 HydrophobicContact CE-CG 4.03Å; M814-M848 HydrophobicContact CG-CE 4.2Å; M814-M848 HydrophobicContact SD-CE 3.59Å; M814-M848 VanDerWaalsContact SD-CE 3.59Å; M814-M848 HydrophobicContact SD-CG 3.68Å; M814-M848 HydrophobicContact SD-SD 4.46Å
815	E	92.9	Very high	95.4	Very high	92 Å²	92	25.9 Å²	25.9	43%	0.43	12%	0.118	S	C	.	.	H	α-helix	trans	-63	-30.3	-175.9	-66.7	-70.1	142.4	0	0	112.2	H813 V817 Q819 K843	H813-E815 VanDerWaalsContact C-N 3.31Å; H813-E815 PolarHBondContact O-N 3.42Å; H813-E815 VanDerWaalsContact O-N 3.14Å; E815-V817 VanDerWaalsContact C-N 3.34Å; E815-Q819 VanDerWaalsContact O-CB 3.24Å; E815-Q819 WeakPolarHBondContact O-CB 3.39Å; E815-Q819 PolarHBondContact O-N 3.39Å; E815-K843 IonicContact OE1-NZ 2.74Å; E815-K843 PolarHBondContact OE1-NZ 3.48Å
816	K	93.9	Very high	94.8	Very high	53 Å²	53	26 Å²	26	23%	0.23	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-35.3	173.1	-59.7	-164.5	167.5	-171.8	0	112.3	D188 Q651 H813 M814	D188-K816 WeakPolarHBondContact OD2-CE 3.08Å; D188-K816 IonicContact OD2-NZ 3.13Å; D188-K816 PolarHBondContact OD2-NZ 2.89Å; Q651-K816 HydrophobicContact CG-CB 4.43Å; H813-K816 WeakPolarHBondContact O-CB 3.33Å; H813-K816 PolarHBondContact O-N 3.29Å; M814-K816 PolarHBondContact O-N 2.91Å
817	V	94.3	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-77.3	-42.5	178.2	-176.4	0	0	0	0	110.9	F648 Q651 L652 I655 M814 E815 F846	F648-V817 HydrophobicContact CD2-CG1 3.64Å; F648-V817 HydrophobicContact CE1-CG1 4.38Å; F648-V817 HydrophobicContact CE2-CG1 3.23Å; F648-V817 HydrophobicContact CG-CG1 4.37Å; F648-V817 HydrophobicContact CZ-CG1 3.65Å; Q651-V817 HydrophobicContact CG-CG2 3.88Å; L652-V817 HydrophobicContact CD2-CG2 4.16Å; I655-V817 HydrophobicContact CD1-CG2 3.52Å; M814-V817 PolarHBondContact O-N 3.49Å; E815-V817 VanDerWaalsContact C-N 3.34Å; V817-F846 HydrophobicContact CB-CZ 4.12Å; V817-F846 HydrophobicContact CG1-CZ 3.99Å
818	L	94.6	Very high	93.2	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-45.4	175.4	-72.5	178.3	0	0	0	111.7	M814 I820 V821 E822 L842 K843 F846	M814-L818 HydrophobicContact CE-CD1 3.78Å; M814-L818 HydrophobicContact CG-CD1 3.68Å; M814-L818 HydrophobicContact CG-CG 3.87Å; M814-L818 PolarHBondContact O-N 2.95Å; M814-L818 HydrophobicContact SD-CD1 3.93Å; L818-I820 VanDerWaalsContact C-N 3.28Å; L818-I820 PolarHBondContact O-N 3.2Å; L818-V821 PolarHBondContact O-N 3.47Å; L818-E822 WeakPolarHBondContact O-CB 3.35Å; L818-E822 PolarHBondContact O-N 2.9Å; L818-L842 HydrophobicContact CD2-CB 4.21Å; L818-L842 HydrophobicContact CD2-CD2 3.74Å; L818-L842 HydrophobicContact CD2-CG 3.66Å; L818-K843 HydrophobicContact CD1-CB 4.11Å; L818-K843 HydrophobicContact CD1-CD 3.82Å; L818-K843 HydrophobicContact CD1-CG 4.01Å; L818-K843 HydrophobicContact CD2-CB 4.16Å; L818-F846 HydrophobicContact CD2-CE2 4.4Å
819	Q	95	Very high	92.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-51.1	-45	-179.2	176	-176.1	36.8	0	0	113.1	S190 E815 V821 E822 I823	S190-Q819 PolarHBondContact O-NE2 3.44Å; S190-Q819 PolarHBondContact O-OE1 3.21Å; S190-Q819 PolarHBondContact OG-OE1 3.13Å; E815-Q819 VanDerWaalsContact O-CB 3.24Å; E815-Q819 WeakPolarHBondContact O-CB 3.39Å; E815-Q819 PolarHBondContact O-N 3.39Å; Q819-V821 PolarHBondContact O-N 2.66Å; Q819-E822 PolarHBondContact O-N 3.07Å; Q819-I823 HydrophobicContact CG-CD1 3.63Å; Q819-I823 HydrophobicContact CG-CG1 4.32Å; Q819-I823 WeakPolarHBondContact O-CG1 3.34Å; Q819-I823 PolarHBondContact O-N 3.03Å
820	I	95.5	Very high	91.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-40.1	-179.3	-70.2	170.6	0	0	0	110.7	F222 Y223 Q226 L644 Q647 Q651 L818 M824	F222-I820 HydrophobicContact CE1-CD1 4.06Å; F222-I820 HydrophobicContact CZ-CD1 4.1Å; Y223-I820 HydrophobicContact CE1-CG1 4.18Å; Q226-I820 PolarHBondContact NE2-O 3.5Å; L644-I820 HydrophobicContact CD1-CG2 3.9Å; Q647-I820 HydrophobicContact CB-CG2 3.82Å; Q651-I820 HydrophobicContact CB-CD1 3.63Å; Q651-I820 HydrophobicContact CG-CD1 3.79Å; L818-I820 VanDerWaalsContact C-N 3.28Å; L818-I820 PolarHBondContact O-N 3.2Å; I820-M824 WeakPolarHBondContact O-CB 3.49Å; I820-M824 WeakPolarHBondContact O-CG 3.49Å
821	V	94.3	Very high	90.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-83.6	-39.8	-178.8	-170.8	0	0	0	0	111.6	L644 F648 L764 L818 Q819 M824 Q825 F833 I839 L842	L644-V821 HydrophobicContact CD1-CG2 4.38Å; F648-V821 HydrophobicContact CD2-CG2 3.94Å; F648-V821 HydrophobicContact CE2-CG2 4.25Å; L764-V821 HydrophobicContact CD1-CG1 3.64Å; L818-V821 PolarHBondContact O-N 3.47Å; Q819-V821 PolarHBondContact O-N 2.66Å; V821-M824 PolarHBondContact O-N 3.26Å; V821-Q825 PolarHBondContact O-N 3.1Å; V821-F833 HydrophobicContact CG1-CE1 3.83Å; V821-I839 HydrophobicContact CB-CD1 4.04Å; V821-I839 HydrophobicContact CG1-CD1 3.66Å; V821-L842 HydrophobicContact CB-CD2 3.97Å; V821-L842 HydrophobicContact CG1-CD2 4.1Å; V821-L842 HydrophobicContact CG2-CD2 3.79Å
822	E	93.4	Very high	90.3	Very high	44 Å²	44	34.2 Å²	34.2	21%	0.206	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-46.8	179.7	-170.9	-175.4	-171.6	0	0	111.6	Y197 K198 L818 Q819 Q825 I839	Y197-E822 HydrophobicContact CE1-CG 3.8Å; Y197-E822 PolarHBondContact OH-O 3.27Å; K198-E822 VanDerWaalsContact CE-OE1 3.29Å; K198-E822 WeakPolarHBondContact CE-OE1 3.35Å; K198-E822 WeakPolarHBondContact CE-OE2 3.37Å; K198-E822 VanDerWaalsContact NZ-CD 3.27Å; K198-E822 IonicContact NZ-OE1 3Å; K198-E822 PolarHBondContact NZ-OE1 3.27Å; K198-E822 IonicContact NZ-OE2 3.89Å; K198-E822 PolarHBondContact NZ-OE2 3.29Å; L818-E822 WeakPolarHBondContact O-CB 3.35Å; L818-E822 PolarHBondContact O-N 2.9Å; Q819-E822 PolarHBondContact O-N 3.07Å; E822-Q825 PolarHBondContact O-N 2.88Å; E822-I839 HydrophobicContact CB-CD1 4.26Å
823	I	93.9	Very high	89.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.2	-34.7	179.9	-61.4	175.7	0	0	0	111.6	I193 Y197 Q226 N229 M230 Q819 Q825 Q826	I193-I823 HydrophobicContact CG2-CD1 3.47Å; I193-I823 VanDerWaalsContact CG2-CD1 3.47Å; Y197-I823 HydrophobicContact CD1-CD1 4.43Å; Y197-I823 HydrophobicContact CD1-CG1 3.81Å; Y197-I823 HydrophobicContact CD2-CG1 3.87Å; Y197-I823 HydrophobicContact CD2-CG2 4.38Å; Y197-I823 HydrophobicContact CE1-CG1 4.17Å; Y197-I823 HydrophobicContact CE2-CG1 4.21Å; Y197-I823 HydrophobicContact CG-CD1 4.08Å; Y197-I823 HydrophobicContact CG-CG1 3.66Å; Q226-I823 HydrophobicContact CB-CB 4.35Å; Q226-I823 HydrophobicContact CB-CG2 3.76Å; Q226-I823 HydrophobicContact CG-CB 3.96Å; Q226-I823 HydrophobicContact CG-CD1 4.5Å; Q226-I823 HydrophobicContact CG-CG2 3.89Å; N229-I823 PolarHBondContact ND2-O 3.03Å; M230-I823 HydrophobicContact CG-CG2 3.55Å; M230-I823 HydrophobicContact SD-CD1 4.28Å; M230-I823 HydrophobicContact SD-CG2 3.8Å; Q819-I823 HydrophobicContact CG-CD1 3.63Å; Q819-I823 HydrophobicContact CG-CG1 4.32Å; Q819-I823 WeakPolarHBondContact O-CG1 3.34Å; Q819-I823 PolarHBondContact O-N 3.03Å; I823-Q825 VanDerWaalsContact C-N 3.31Å; I823-Q825 PolarHBondContact O-N 3.32Å; I823-Q826 WeakPolarHBondContact O-CB 3.42Å; I823-Q826 PolarHBondContact O-N 3.45Å
824	M	92.9	Very high	89.1	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-77.6	-14.2	178.8	-67.6	-52.7	-52.5	0	0	113.8	P225 Q226 N229 Y267 L644 I820 V821 Q826 S828 F833	P225-M824 HydrophobicContact CB-CE 4.47Å; P225-M824 HydrophobicContact CB-SD 4.1Å; Q226-M824 HydrophobicContact CG-CG 4.12Å; Q226-M824 HydrophobicContact CG-SD 4Å; N229-M824 HydrophobicContact CB-CE 3.99Å; N229-M824 HydrophobicContact CB-SD 3.83Å; Y267-M824 HydrophobicContact CD1-CE 4.42Å; Y267-M824 HydrophobicContact CE1-CE 3.57Å; Y267-M824 HydrophobicContact CE2-CE 4.26Å; Y267-M824 VanDerWaalsContact CZ-CE 3.49Å; Y267-M824 WeakPolarHBondContact OH-CE 3.28Å; L644-M824 HydrophobicContact CD1-CB 4.02Å; L644-M824 HydrophobicContact CD1-CG 4.07Å; I820-M824 WeakPolarHBondContact O-CB 3.49Å; I820-M824 WeakPolarHBondContact O-CG 3.49Å; V821-M824 PolarHBondContact O-N 3.26Å; M824-Q826 VanDerWaalsContact C-N 3.35Å; M824-S828 WeakPolarHBondContact O-CB 3.44Å; M824-F833 HydrophobicContact CB-CZ 4.26Å; M824-F833 VanDerWaalsContact O-CE2 3.23Å; M824-F833 WeakPolarHBondContact O-CE2 3.19Å
825	Q	90.9	Very high	88.2	Confident	39 Å²	39	35 Å²	35	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-72.7	-27.9	168.2	178.8	165.1	69	0	0	112.2	V821 E822 I823 G827 S828 F833 G835 I839	V821-Q825 PolarHBondContact O-N 3.1Å; E822-Q825 PolarHBondContact O-N 2.88Å; I823-Q825 VanDerWaalsContact C-N 3.31Å; I823-Q825 PolarHBondContact O-N 3.32Å; Q825-G827 PolarHBondContact O-N 2.91Å; Q825-S828 PolarHBondContact O-N 3.35Å; Q825-S828 VanDerWaalsContact O-N 3.1Å; Q825-F833 HydrophobicContact CB-CD1 3.83Å; Q825-F833 HydrophobicContact CB-CD2 4.45Å; Q825-F833 HydrophobicContact CB-CE1 3.77Å; Q825-F833 HydrophobicContact CB-CE2 4.4Å; Q825-F833 HydrophobicContact CB-CG 4.18Å; Q825-F833 HydrophobicContact CB-CZ 4.07Å; Q825-F833 HydrophobicContact CG-CB 4.33Å; Q825-F833 HydrophobicContact CG-CD1 3.96Å; Q825-F833 HydrophobicContact CG-CE1 4.42Å; Q825-F833 HydrophobicContact CG-CG 4.06Å; Q825-G835 PolarHBondContact NE2-O 3.13Å; Q825-I839 VanDerWaalsContact OE1-CG1 3.3Å
826	Q	85.7	Confident	87.5	Confident	76 Å²	76	35.4 Å²	35.4	36%	0.355	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	108.4	-171.2	-178.1	56.6	29.8	0	0	112.1	Y197 N229 H233 M234 I823 M824 S828	Y197-Q826 HydrophobicContact CE2-CB 4.22Å; Y197-Q826 HydrophobicContact CE2-CG 4.35Å; N229-Q826 PolarHBondContact ND2-O 2.97Å; H233-Q826 HydrophobicContact CB-CG 4.4Å; H233-Q826 WeakPolarHBondContact CB-O 3.45Å; M234-Q826 HydrophobicContact CG-CG 4.15Å; I823-Q826 WeakPolarHBondContact O-CB 3.42Å; I823-Q826 PolarHBondContact O-N 3.45Å; M824-Q826 VanDerWaalsContact C-N 3.35Å; Q826-S828 PolarHBondContact O-N 3.11Å
827	G	78	Confident	87	Confident	29 Å²	29	35.4 Å²	35.4	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	10.4	179.9	0	0	0	0	0	115.7	H233 Q825	H233-G827 VanDerWaalsContact CE1-C 3.44Å; H233-G827 WeakPolarHBondContact CE1-CA 3.49Å; H233-G827 PolarHBondContact CE1-O 3.03Å; H233-G827 PolarHBondContact ND1-O 2.91Å; H233-G827 PolarHBondContact NE2-O 3.35Å; Q825-G827 PolarHBondContact O-N 2.91Å
828	S	83.7	Confident	86.7	Confident	20 Å²	20	35.7 Å²	35.7	14%	0.14	21%	0.212	C	C	.	.			trans	-89.5	138	-175.2	179.6	0	0	0	0	112.5	M824 Q825 Q826 L830	M824-S828 WeakPolarHBondContact O-CB 3.44Å; Q825-S828 PolarHBondContact O-N 3.35Å; Q825-S828 VanDerWaalsContact O-N 3.1Å; Q826-S828 PolarHBondContact O-N 3.11Å; S828-L830 WeakPolarHBondContact OG-CG 3.25Å; S828-L830 PolarHBondContact OG-N 3.41Å
829	H	77.5	Confident	86.5	Confident	108 Å²	108	36.8 Å²	36.8	50%	0.5	22%	0.218	S	C	.	.			trans	-102.8	18.4	176	-69.3	-95.4	0	0	0	113.6	D270 H272	D270-H829 IonicContact OD2-CD2 4Å; D270-H829 PolarHBondContact OD2-N 2.93Å; H272-H829 AromaticContact CD2-CE1 3.52Å; H272-H829 AromaticContact CD2-NE2 3.92Å
830	L	84.6	Confident	86.3	Confident	5 Å²	5	44 Å²	44	3%	0.026	25%	0.245	C	C	.	.			trans	-66.1	135.9	178.4	-63.6	176.7	0	0	0	111.9	D638 R640 Q641 S828 C832 F833	D638-L830 VanDerWaalsContact OD2-CD2 3.31Å; D638-L830 WeakPolarHBondContact OD2-CD2 3.45Å; R640-L830 HydrophobicContact CB-CD1 3.88Å; R640-L830 HydrophobicContact CB-CD2 3.86Å; Q641-L830 HydrophobicContact CG-CB 4.21Å; Q641-L830 HydrophobicContact CG-CD1 4.15Å; Q641-L830 HydrophobicContact CG-CD2 4.24Å; Q641-L830 HydrophobicContact CG-CG 4.44Å; S828-L830 WeakPolarHBondContact OG-CG 3.25Å; S828-L830 PolarHBondContact OG-N 3.41Å; L830-C832 VanDerWaalsContact CB-SG 3.58Å; L830-C832 PolarHBondContact O-N 3.21Å; L830-F833 HydrophobicContact CB-CD2 3.98Å; L830-F833 HydrophobicContact CB-CE2 4.24Å; L830-F833 HydrophobicContact CD1-CE2 4.21Å; L830-F833 PolarHBondContact O-N 3.34Å
831	P	82.9	Confident	86.1	Confident	75 Å²	75	44.7 Å²	44.7	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-25.3	-178.7	-30.3	36.5	0	0	0	115.8	F833 H834	P831-F833 PolarHBondContact O-N 3.49Å; P831-H834 PolarHBondContact O-CE1 3.44Å; P831-H834 VanDerWaalsContact O-CE1 3.28Å; P831-H834 PolarHBondContact O-ND1 3.05Å
832	C	84	Confident	86.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.3	175.2	57.3	0	0	0	0	114.7	I763 L764 S765 L830	I763-C832 HydrophobicContact CG1-CB 3.89Å; I763-C832 WeakPolarHBondContact O-CB 3.46Å; L764-C832 HydrophobicContact CB-CB 4.15Å; L764-C832 WeakPolarHBondContact CB-O 3.43Å; L764-C832 HydrophobicContact CD1-CB 4.36Å; S765-C832 WeakPolarHBondContact CB-O 3.43Å; S765-C832 PolarHBondContact N-O 2.65Å; S765-C832 VanDerWaalsContact N-O 3.13Å; L830-C832 VanDerWaalsContact CB-SG 3.58Å; L830-C832 PolarHBondContact O-N 3.21Å
833	F	86.6	Confident	86.1	Confident	22 Å²	22	47.1 Å²	47.1	10%	0.096	26%	0.261	C	S	.	.			trans	-107	109.7	-175.2	-62.9	-51.8	0	0	0	112.7	L644 L764 V821 M824 Q825 L830 P831 T838	L644-F833 HydrophobicContact CD2-CE1 4.3Å; L644-F833 HydrophobicContact CD2-CZ 3.71Å; L764-F833 HydrophobicContact CD1-CE1 4.26Å; V821-F833 HydrophobicContact CG1-CE1 3.83Å; M824-F833 HydrophobicContact CB-CZ 4.26Å; M824-F833 VanDerWaalsContact O-CE2 3.23Å; M824-F833 WeakPolarHBondContact O-CE2 3.19Å; Q825-F833 HydrophobicContact CB-CD1 3.83Å; Q825-F833 HydrophobicContact CB-CD2 4.45Å; Q825-F833 HydrophobicContact CB-CE1 3.77Å; Q825-F833 HydrophobicContact CB-CE2 4.4Å; Q825-F833 HydrophobicContact CB-CG 4.18Å; Q825-F833 HydrophobicContact CB-CZ 4.07Å; Q825-F833 HydrophobicContact CG-CB 4.33Å; Q825-F833 HydrophobicContact CG-CD1 3.96Å; Q825-F833 HydrophobicContact CG-CE1 4.42Å; Q825-F833 HydrophobicContact CG-CG 4.06Å; L830-F833 HydrophobicContact CB-CD2 3.98Å; L830-F833 HydrophobicContact CB-CE2 4.24Å; L830-F833 HydrophobicContact CD1-CE2 4.21Å; L830-F833 PolarHBondContact O-N 3.34Å; P831-F833 PolarHBondContact O-N 3.49Å; F833-T838 HydrophobicContact CD1-CG2 4.11Å
834	H	80.6	Confident	86.1	Confident	115 Å²	115	52.2 Å²	52.2	53%	0.532	29%	0.285	S	S	.	.			trans	-109.6	61.2	174.5	-78	56.8	0	0	0	110.4	S765 P831 S837 T838	S765-H834 WeakPolarHBondContact CB-ND1 3.5Å; P831-H834 PolarHBondContact O-CE1 3.44Å; P831-H834 VanDerWaalsContact O-CE1 3.28Å; P831-H834 PolarHBondContact O-ND1 3.05Å; H834-S837 PolarHBondContact O-OG 2.76Å; H834-T838 PolarHBondContact N-OG1 3.48Å
835	G	76.6	Confident	86.2	Confident	45 Å²	45	53.9 Å²	53.9	46%	0.464	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-154.1	-177.2	0	0	0	0	0	113.6	Q825 S837 T838	Q825-G835 PolarHBondContact NE2-O 3.13Å; G835-S837 PolarHBondContact O-N 3.49Å; G835-T838 PolarHBondContact O-N 3Å
836	S	77.8	Confident	86.4	Confident	100 Å²	100	52 Å²	52	70%	0.699	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-15.5	-177.1	55.3	0	0	0	0	114.6	T838 R840	S836-T838 VanDerWaalsContact C-N 3.29Å; S836-T838 PolarHBondContact O-N 3.15Å; S836-R840 PolarHBondContact O-N 2.85Å
837	S	84.8	Confident	86.8	Confident	53 Å²	53	51.1 Å²	51.1	37%	0.371	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-35.4	176.7	76.8	0	0	0	0	112.6	H834 G835 R840 G841	H834-S837 PolarHBondContact O-OG 2.76Å; G835-S837 PolarHBondContact O-N 3.49Å; S837-R840 PolarHBondContact O-N 3.41Å; S837-G841 PolarHBondContact O-N 3.07Å
838	T	88.3	Confident	87.5	Confident	5 Å²	5	54 Å²	54	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-47.2	-175.6	-56.1	0	0	0	0	112.2	L764 S765 F833 H834 G835 S836 L842	L764-T838 HydrophobicContact CB-CG2 3.82Å; L764-T838 HydrophobicContact CD1-CG2 3.96Å; L764-T838 HydrophobicContact CD2-CG2 4.27Å; L764-T838 HydrophobicContact CG-CG2 4.25Å; S765-T838 PolarHBondContact OG-OG1 2.71Å; F833-T838 HydrophobicContact CD1-CG2 4.11Å; H834-T838 PolarHBondContact N-OG1 3.48Å; G835-T838 PolarHBondContact O-N 3Å; S836-T838 VanDerWaalsContact C-N 3.29Å; S836-T838 PolarHBondContact O-N 3.15Å; T838-L842 WeakPolarHBondContact O-CB 3.46Å; T838-L842 PolarHBondContact O-N 3.25Å
839	I	90.7	Very high	88	Confident	27 Å²	27	58.4 Å²	58.4	14%	0.138	32%	0.316	C	S	.	.	H	α-helix	trans	-71.7	-38.8	179.2	-57	-60	0	0	0	111	V821 E822 Q825 L842 K843	V821-I839 HydrophobicContact CB-CD1 4.04Å; V821-I839 HydrophobicContact CG1-CD1 3.66Å; E822-I839 HydrophobicContact CB-CD1 4.26Å; Q825-I839 VanDerWaalsContact OE1-CG1 3.3Å; I839-L842 PolarHBondContact O-N 2.91Å; I839-K843 WeakPolarHBondContact O-CB 3.49Å; I839-K843 PolarHBondContact O-N 3.23Å
840	R	90.8	Very high	88.8	Confident	157 Å²	157	55.4 Å²	55.4	59%	0.592	30%	0.303	S	S	*	.	H	α-helix	trans	-61.7	-50.5	175.8	-164.9	-175.3	68.2	-145.1	-4.7	111.1	S836 S837 L842 K843 E844	S836-R840 PolarHBondContact O-N 2.85Å; S837-R840 PolarHBondContact O-N 3.41Å; R840-L842 VanDerWaalsContact C-N 3.31Å; R840-L842 PolarHBondContact O-N 2.77Å; R840-K843 PolarHBondContact O-N 3.02Å; R840-K843 VanDerWaalsContact O-N 3.14Å; R840-E844 WeakPolarHBondContact CD-OE1 3.32Å; R840-E844 HydrophobicContact CG-CG 4.48Å; R840-E844 VanDerWaalsContact CG-OE1 3.3Å; R840-E844 WeakPolarHBondContact CG-OE1 3.47Å; R840-E844 IonicContact NE-OE1 3.66Å; R840-E844 PolarHBondContact NE-OE1 2.93Å; R840-E844 VanDerWaalsContact NE-OE1 3.15Å; R840-E844 WeakPolarHBondContact O-CB 3.41Å; R840-E844 VanDerWaalsContact O-CG 3.3Å; R840-E844 WeakPolarHBondContact O-CG 3.36Å; R840-E844 PolarHBondContact O-N 2.93Å
841	G	91	Very high	89.4	Confident	14 Å²	14	58.2 Å²	58.2	14%	0.144	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-35	177.3	0	0	0	0	0	113.4	S837 E844 R845	S837-G841 PolarHBondContact O-N 3.07Å; G841-E844 WeakPolarHBondContact CA-OE2 3.44Å; G841-R845 VanDerWaalsContact C-NH1 3.26Å; G841-R845 WeakPolarHBondContact O-CG 3.2Å; G841-R845 PolarHBondContact O-N 3.46Å; G841-R845 PolarHBondContact O-NH1 3.26Å
842	L	93.1	Very high	89.9	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-46.2	172.3	179.9	60.8	0	0	0	111.3	F648 L736 L764 L818 V821 T838 I839 R840 R845 F846	F648-L842 HydrophobicContact CE2-CD1 4.2Å; F648-L842 HydrophobicContact CE2-CD2 4.4Å; F648-L842 HydrophobicContact CZ-CD1 4.32Å; L736-L842 WeakPolarHBondContact O-CD1 3.47Å; L764-L842 HydrophobicContact CD2-CD1 4.43Å; L764-L842 HydrophobicContact CD2-CD2 4.46Å; L818-L842 HydrophobicContact CD2-CB 4.21Å; L818-L842 HydrophobicContact CD2-CD2 3.74Å; L818-L842 HydrophobicContact CD2-CG 3.66Å; V821-L842 HydrophobicContact CB-CD2 3.97Å; V821-L842 HydrophobicContact CG1-CD2 4.1Å; V821-L842 HydrophobicContact CG2-CD2 3.79Å; T838-L842 WeakPolarHBondContact O-CB 3.46Å; T838-L842 PolarHBondContact O-N 3.25Å; I839-L842 PolarHBondContact O-N 2.91Å; R840-L842 VanDerWaalsContact C-N 3.31Å; R840-L842 PolarHBondContact O-N 2.77Å; L842-R845 PolarHBondContact O-N 3.21Å; L842-F846 HydrophobicContact CD1-CE2 4.12Å; L842-F846 HydrophobicContact CG-CE2 4.29Å; L842-F846 VanDerWaalsContact O-CD2 3.25Å; L842-F846 WeakPolarHBondContact O-CD2 3.47Å
843	K	94.1	Very high	90.4	Very high	94 Å²	94	66 Å²	66	41%	0.409	35%	0.351	S	S	.	.	H	α-helix	trans	-65.1	-37.2	177.2	-174	159.9	-175.1	144.7	0	112.7	M814 E815 L818 I839 R840 R845 F846	M814-K843 HydrophobicContact CE-CD 4.25Å; M814-K843 HydrophobicContact CE-CG 4.21Å; M814-K843 HydrophobicContact SD-CG 4.07Å; E815-K843 IonicContact OE1-NZ 2.74Å; E815-K843 PolarHBondContact OE1-NZ 3.48Å; L818-K843 HydrophobicContact CD1-CB 4.11Å; L818-K843 HydrophobicContact CD1-CD 3.82Å; L818-K843 HydrophobicContact CD1-CG 4.01Å; L818-K843 HydrophobicContact CD2-CB 4.16Å; I839-K843 WeakPolarHBondContact O-CB 3.49Å; I839-K843 PolarHBondContact O-N 3.23Å; R840-K843 PolarHBondContact O-N 3.02Å; R840-K843 VanDerWaalsContact O-N 3.14Å; K843-R845 VanDerWaalsContact C-N 3.32Å; K843-R845 PolarHBondContact O-N 2.96Å; K843-F846 PolarHBondContact O-N 3.41Å
844	E	94.2	Very high	90.8	Very high	107 Å²	107	69.1 Å²	69.1	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-40.5	174.4	-74.6	161.7	178.2	0	0	111.4	R840 G841 F846 H847	R840-E844 WeakPolarHBondContact CD-OE1 3.32Å; R840-E844 HydrophobicContact CG-CG 4.48Å; R840-E844 VanDerWaalsContact CG-OE1 3.3Å; R840-E844 WeakPolarHBondContact CG-OE1 3.47Å; R840-E844 IonicContact NE-OE1 3.66Å; R840-E844 PolarHBondContact NE-OE1 2.93Å; R840-E844 VanDerWaalsContact NE-OE1 3.15Å; R840-E844 WeakPolarHBondContact O-CB 3.41Å; R840-E844 VanDerWaalsContact O-CG 3.3Å; R840-E844 WeakPolarHBondContact O-CG 3.36Å; R840-E844 PolarHBondContact O-N 2.93Å; G841-E844 WeakPolarHBondContact CA-OE2 3.44Å; E844-F846 PolarHBondContact O-N 3.32Å; E844-H847 PolarHBondContact O-CD2 3.25Å; E844-H847 PolarHBondContact O-N 2.96Å
845	R	94.9	Very high	91.6	Very high	41 Å²	41	63.7 Å²	63.7	16%	0.155	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.7	177	-70.1	-172.4	-58.4	-87.3	9.9	115.7	Y735 L736 G841 L842 K843 H847	Y735-R845 HydrophobicContact CE1-CB 4.21Å; Y735-R845 WeakPolarHBondContact CE1-O 3.46Å; Y735-R845 HydrophobicContact CE2-CG 4.33Å; Y735-R845 VanDerWaalsContact O-CD 3.27Å; Y735-R845 WeakPolarHBondContact O-CD 3.3Å; Y735-R845 PolarHBondContact O-NE 3.27Å; Y735-R845 PolarHBondContact OH-O 3.37Å; L736-R845 HydrophobicContact CD2-CB 4.4Å; L736-R845 VanDerWaalsContact O-CZ 3.26Å; L736-R845 PolarHBondContact O-NE 2.84Å; L736-R845 PolarHBondContact O-NH2 2.94Å; G841-R845 VanDerWaalsContact C-NH1 3.26Å; G841-R845 WeakPolarHBondContact O-CG 3.2Å; G841-R845 PolarHBondContact O-N 3.46Å; G841-R845 PolarHBondContact O-NH1 3.26Å; L842-R845 PolarHBondContact O-N 3.21Å; K843-R845 VanDerWaalsContact C-N 3.32Å; K843-R845 PolarHBondContact O-N 2.96Å; R845-H847 VanDerWaalsContact C-N 3.32Å; R845-H847 PolarHBondContact O-CD2 3.43Å
846	F	95.4	Very high	92.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.8	166.5	-74	-93.8	0	0	0	112.6	L736 A810 R811 M814 V817 L818 L842 K843 E844 M848	L736-F846 HydrophobicContact CD1-CE1 4.46Å; L736-F846 HydrophobicContact CD2-CD1 4.44Å; L736-F846 HydrophobicContact CD2-CD2 4.45Å; L736-F846 HydrophobicContact CD2-CE1 4.34Å; L736-F846 HydrophobicContact CD2-CE2 4.33Å; L736-F846 HydrophobicContact CD2-CZ 4.28Å; A810-F846 HydrophobicContact CB-CD1 4.48Å; A810-F846 HydrophobicContact CB-CE1 3.99Å; A810-F846 WeakPolarHBondContact O-CE1 3.19Å; R811-F846 WeakPolarHBondContact CD-O 3.34Å; R811-F846 HydrophobicContact CG-CB 4.39Å; R811-F846 HydrophobicContact CG-CD1 4.47Å; R811-F846 WeakPolarHBondContact CG-O 3.46Å; M814-F846 HydrophobicContact CB-CD1 3.82Å; M814-F846 HydrophobicContact CB-CE1 4.02Å; M814-F846 HydrophobicContact CB-CG 4.13Å; M814-F846 HydrophobicContact CG-CB 4.05Å; M814-F846 HydrophobicContact CG-CD1 3.73Å; M814-F846 HydrophobicContact CG-CD2 3.64Å; M814-F846 HydrophobicContact CG-CE1 4Å; M814-F846 HydrophobicContact CG-CE2 3.95Å; M814-F846 HydrophobicContact CG-CG 3.53Å; M814-F846 HydrophobicContact CG-CZ 4.11Å; M814-F846 HydrophobicContact SD-CB 3.51Å; M814-F846 VanDerWaalsContact SD-CB 3.51Å; M814-F846 HydrophobicContact SD-CD1 4.34Å; M814-F846 HydrophobicContact SD-CD2 3.94Å; M814-F846 HydrophobicContact SD-CG 3.69Å; V817-F846 HydrophobicContact CB-CZ 4.12Å; V817-F846 HydrophobicContact CG1-CZ 3.99Å; L818-F846 HydrophobicContact CD2-CE2 4.4Å; L842-F846 HydrophobicContact CD1-CE2 4.12Å; L842-F846 HydrophobicContact CG-CE2 4.29Å; L842-F846 VanDerWaalsContact O-CD2 3.25Å; L842-F846 WeakPolarHBondContact O-CD2 3.47Å; K843-F846 PolarHBondContact O-N 3.41Å; E844-F846 PolarHBondContact O-N 3.32Å; F846-M848 VanDerWaalsContact C-N 3.27Å; F846-M848 HydrophobicContact CB-CG 4.39Å; F846-M848 PolarHBondContact O-N 3.47Å; F846-M848 VanDerWaalsContact O-N 3.14Å
847	H	93.9	Very high	93.4	Very high	56 Å²	56	67.8 Å²	67.8	26%	0.259	34%	0.339	S	S	.	.			trans	47.8	45.8	173.6	-72.8	-83.3	0	0	0	114.1	Y735 R811 E844 R845 S849 L850 L855 L858	Y735-H847 PolarHBondContact OH-CD2 3.42Å; Y735-H847 PolarHBondContact OH-NE2 3.17Å; R811-H847 PolarHBondContact NH2-O 3.1Å; E844-H847 PolarHBondContact O-CD2 3.25Å; E844-H847 PolarHBondContact O-N 2.96Å; R845-H847 VanDerWaalsContact C-N 3.32Å; R845-H847 PolarHBondContact O-CD2 3.43Å; H847-S849 PolarHBondContact O-N 3.49Å; H847-L850 HydrophobicContact CB-CB 4.38Å; H847-L850 HydrophobicContact CB-CD1 3.8Å; H847-L850 HydrophobicContact CB-CG 3.97Å; H847-L850 PolarHBondContact O-N 3.01Å; H847-L855 HydrophobicContact CB-CD2 4.06Å; H847-L858 HydrophobicContact CB-CD2 4.31Å; H847-L858 VanDerWaalsContact CD2-CD2 3.42Å; H847-L858 WeakPolarHBondContact CD2-CD2 3.3Å
848	M	93.3	Very high	93.9	Very high	89 Å²	89	66.3 Å²	66.3	44%	0.438	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.1	-171	-82.7	-63	-155	0	0	115.6	R811 M814 F846	R811-M848 HydrophobicContact CB-CE 4.32Å; R811-M848 HydrophobicContact CB-SD 4.17Å; R811-M848 HydrophobicContact CG-SD 4.2Å; R811-M848 PolarHBondContact NH2-O 3.27Å; R811-M848 WeakPolarHBondContact O-CE 3.29Å; M814-M848 HydrophobicContact CB-CE 3.61Å; M814-M848 HydrophobicContact CE-CE 3.61Å; M814-M848 HydrophobicContact CE-CG 4.03Å; M814-M848 HydrophobicContact CG-CE 4.2Å; M814-M848 HydrophobicContact SD-CE 3.59Å; M814-M848 VanDerWaalsContact SD-CE 3.59Å; M814-M848 HydrophobicContact SD-CG 3.68Å; M814-M848 HydrophobicContact SD-SD 4.46Å; F846-M848 VanDerWaalsContact C-N 3.27Å; F846-M848 HydrophobicContact CB-CG 4.39Å; F846-M848 PolarHBondContact O-N 3.47Å; F846-M848 VanDerWaalsContact O-N 3.14Å
849	S	93.8	Very high	94.3	Very high	113 Å²	113	66.3 Å²	66.3	79%	0.79	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.1	175.6	48.8	0	0	0	0	115	H847	H847-S849 PolarHBondContact O-N 3.49Å
850	L	94.4	Very high	94.4	Very high	45 Å²	45	68.6 Å²	68.6	24%	0.236	34%	0.338	C	S	.	.			trans	-87.3	147.5	-177.1	-62.4	-169.9	0	0	0	112.5	R811 H847 Q854 L855 L858	R811-L850 VanDerWaalsContact CZ-O 3.27Å; R811-L850 PolarHBondContact NH1-O 2.9Å; R811-L850 PolarHBondContact NH2-O 3.15Å; H847-L850 HydrophobicContact CB-CB 4.38Å; H847-L850 HydrophobicContact CB-CD1 3.8Å; H847-L850 HydrophobicContact CB-CG 3.97Å; H847-L850 PolarHBondContact O-N 3.01Å; L850-Q854 VanDerWaalsContact CA-OE1 3.31Å; L850-Q854 HydrophobicContact CB-CB 3.9Å; L850-Q854 HydrophobicContact CD1-CB 4.35Å; L850-Q854 HydrophobicContact CD2-CB 4.27Å; L850-Q854 HydrophobicContact CG-CB 4.39Å; L850-L855 HydrophobicContact CB-CD2 4.33Å; L850-L855 HydrophobicContact CD1-CD2 4.4Å; L850-L858 HydrophobicContact CD1-CD2 4.42Å
851	T	95.8	Very high	94.5	Very high	65 Å²	65	67.6 Å²	67.6	40%	0.399	34%	0.339	S	S	.	.			trans	-74.8	174.8	168.7	73.7	0	0	0	0	111.7	E853 Q854 L855	T851-E853 WeakPolarHBondContact CB-OE2 3.27Å; T851-E853 PolarHBondContact OG1-OE2 3.1Å; T851-Q854 PolarHBondContact O-N 3.49Å; T851-Q854 WeakPolarHBondContact OG1-CG 3.31Å; T851-Q854 PolarHBondContact OG1-N 3.48Å; T851-L855 PolarHBondContact O-N 2.94Å
852	E	94.1	Very high	94.6	Very high	113 Å²	113	68.1 Å²	68.1	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-72.1	-32.7	179.5	-63.5	-168.1	170.5	0	0	112.2	I808 L855 Q856	I808-E852 HydrophobicContact CD1-CB 4.28Å; I808-E852 HydrophobicContact CD1-CG 3.98Å; I808-E852 HydrophobicContact CG1-CG 4.35Å; E852-L855 WeakPolarHBondContact O-CB 3.35Å; E852-L855 PolarHBondContact O-N 2.93Å; E852-Q856 PolarHBondContact O-N 2.97Å
853	E	94.5	Very high	94.6	Very high	126 Å²	126	68.1 Å²	68.1	59%	0.589	34%	0.339	S	S	*	.	H	α-helix	trans	-66.8	-38.4	172.7	-46.9	81.2	177.7	0	0	111.1	T851 Q856 L857	T851-E853 WeakPolarHBondContact CB-OE2 3.27Å; T851-E853 PolarHBondContact OG1-OE2 3.1Å; E853-Q856 WeakPolarHBondContact O-CB 3.49Å; E853-Q856 PolarHBondContact O-N 3.07Å; E853-L857 PolarHBondContact O-N 3.43Å; E853-L857 VanDerWaalsContact O-N 3.13Å
854	Q	96	Very high	94.3	Very high	87 Å²	87	66.1 Å²	66.1	41%	0.407	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-32.8	173.8	-70.5	174	-17.5	0	0	112.1	L850 T851 L858	L850-Q854 VanDerWaalsContact CA-OE1 3.31Å; L850-Q854 HydrophobicContact CB-CB 3.9Å; L850-Q854 HydrophobicContact CD1-CB 4.35Å; L850-Q854 HydrophobicContact CD2-CB 4.27Å; L850-Q854 HydrophobicContact CG-CB 4.39Å; T851-Q854 PolarHBondContact O-N 3.49Å; T851-Q854 WeakPolarHBondContact OG1-CG 3.31Å; T851-Q854 PolarHBondContact OG1-N 3.48Å; Q854-L858 PolarHBondContact O-N 3.46Å
855	L	95.7	Very high	94	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-36.8	168.7	-74.6	-170.4	0	0	0	112.6	L804 L807 I808 R811 H847 L850 T851 E852 L857 L858 V859	L804-L855 HydrophobicContact CD1-CB 3.54Å; L804-L855 HydrophobicContact CD1-CD1 4.48Å; L807-L855 HydrophobicContact CD2-CD1 4.43Å; L807-L855 HydrophobicContact CD2-CD2 3.93Å; L807-L855 HydrophobicContact CG-CD1 4.33Å; L807-L855 HydrophobicContact CG-CD2 4.48Å; I808-L855 HydrophobicContact CG1-CD1 3.67Å; R811-L855 VanDerWaalsContact NH1-CD1 3.25Å; H847-L855 HydrophobicContact CB-CD2 4.06Å; L850-L855 HydrophobicContact CB-CD2 4.33Å; L850-L855 HydrophobicContact CD1-CD2 4.4Å; T851-L855 PolarHBondContact O-N 2.94Å; E852-L855 WeakPolarHBondContact O-CB 3.35Å; E852-L855 PolarHBondContact O-N 2.93Å; L855-L857 VanDerWaalsContact C-N 3.32Å; L855-L857 PolarHBondContact O-N 3.07Å; L855-L858 HydrophobicContact CD2-CD2 4.01Å; L855-L858 WeakPolarHBondContact O-CB 3.28Å; L855-L858 PolarHBondContact O-N 2.9Å; L855-V859 WeakPolarHBondContact O-CG2 3.33Å; L855-V859 PolarHBondContact O-N 3.35Å
856	Q	96.1	Very high	93.5	Very high	117 Å²	117	61.4 Å²	61.4	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.3	-174.2	175.8	-5.4	0	0	110.9	L804 E852 E853 V859 E860	L804-Q856 HydrophobicContact CD1-CB 4.44Å; L804-Q856 HydrophobicContact CD2-CB 3.83Å; L804-Q856 HydrophobicContact CD2-CG 4.04Å; E852-Q856 PolarHBondContact O-N 2.97Å; E853-Q856 WeakPolarHBondContact O-CB 3.49Å; E853-Q856 PolarHBondContact O-N 3.07Å; Q856-V859 PolarHBondContact O-N 2.87Å; Q856-E860 PolarHBondContact O-N 3.02Å
857	L	96.5	Very high	92.9	Very high	114 Å²	114	63.8 Å²	63.8	60%	0.597	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-38.6	173.2	-66	174.2	0	0	0	112.6	E853 L855 E860 Q861	E853-L857 PolarHBondContact O-N 3.43Å; E853-L857 VanDerWaalsContact O-N 3.13Å; L855-L857 VanDerWaalsContact C-N 3.32Å; L855-L857 PolarHBondContact O-N 3.07Å; L857-E860 PolarHBondContact O-N 3.42Å; L857-Q861 VanDerWaalsContact O-CG 3.27Å; L857-Q861 WeakPolarHBondContact O-CG 3.33Å; L857-Q861 PolarHBondContact O-N 3.45Å
858	L	95.6	Very high	91.7	Very high	23 Å²	23	69.8 Å²	69.8	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-42.4	174.3	175.6	64.8	0	0	0	112	L807 H847 L850 Q854 L855 Q861 L862	L807-L858 HydrophobicContact CD2-CD2 4.41Å; H847-L858 HydrophobicContact CB-CD2 4.31Å; H847-L858 VanDerWaalsContact CD2-CD2 3.42Å; H847-L858 WeakPolarHBondContact CD2-CD2 3.3Å; L850-L858 HydrophobicContact CD1-CD2 4.42Å; Q854-L858 PolarHBondContact O-N 3.46Å; L855-L858 HydrophobicContact CD2-CD2 4.01Å; L855-L858 WeakPolarHBondContact O-CB 3.28Å; L855-L858 PolarHBondContact O-N 2.9Å; L858-Q861 PolarHBondContact O-N 3.47Å; L858-L862 HydrophobicContact CD1-CD1 4.17Å; L858-L862 HydrophobicContact CD1-CG 4.16Å; L858-L862 HydrophobicContact CG-CD1 3.97Å; L858-L862 HydrophobicContact CG-CG 4.39Å; L858-L862 WeakPolarHBondContact O-CB 3.28Å; L858-L862 VanDerWaalsContact O-CG 3.25Å; L858-L862 WeakPolarHBondContact O-CG 3.28Å; L858-L862 PolarHBondContact O-N 3.07Å
859	V	95.9	Very high	90.5	Very high	5 Å²	5	66 Å²	66	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-44.1	177.5	169.2	0	0	0	0	110.7	M803 L804 L807 L855 Q856 Q861 L862 V863	M803-V859 HydrophobicContact CB-CG1 3.81Å; M803-V859 HydrophobicContact CB-CG2 4.45Å; L804-V859 HydrophobicContact CB-CG2 4.27Å; L804-V859 HydrophobicContact CD1-CG2 4.4Å; L807-V859 HydrophobicContact CD2-CG2 4.37Å; L855-V859 WeakPolarHBondContact O-CG2 3.33Å; L855-V859 PolarHBondContact O-N 3.35Å; Q856-V859 PolarHBondContact O-N 2.87Å; V859-Q861 PolarHBondContact O-N 3.34Å; V859-L862 PolarHBondContact O-N 2.88Å; V859-V863 WeakPolarHBondContact O-CG2 3.26Å; V859-V863 PolarHBondContact O-N 3.49Å
860	E	93.9	Very high	88.8	Confident	75 Å²	75	66.6 Å²	66.6	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-48.8	175	-160.6	68.1	-120.1	0	0	110.9	K800 Q856 L857 L862 V863 D864	K800-E860 WeakPolarHBondContact CD-OE1 3.28Å; K800-E860 IonicContact NZ-OE1 2.72Å; K800-E860 PolarHBondContact NZ-OE1 3.08Å; K800-E860 IonicContact NZ-OE2 2.6Å; K800-E860 PolarHBondContact NZ-OE2 3.46Å; Q856-E860 PolarHBondContact O-N 3.02Å; L857-E860 PolarHBondContact O-N 3.42Å; E860-L862 PolarHBondContact O-N 3.06Å; E860-V863 PolarHBondContact O-N 2.83Å; E860-D864 WeakPolarHBondContact O-CB 3.39Å; E860-D864 PolarHBondContact O-N 2.92Å
861	Q	92.9	Very high	87.1	Confident	135 Å²	135	66.2 Å²	66.2	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-59.8	-39.2	176.5	-72.4	171.2	5.6	0	0	113.6	L857 L858 V859 G865	L857-Q861 VanDerWaalsContact O-CG 3.27Å; L857-Q861 WeakPolarHBondContact O-CG 3.33Å; L857-Q861 PolarHBondContact O-N 3.45Å; L858-Q861 PolarHBondContact O-N 3.47Å; V859-Q861 PolarHBondContact O-N 3.34Å; Q861-G865 PolarHBondContact O-N 2.72Å
862	L	92.9	Very high	85.5	Confident	25 Å²	25	63.9 Å²	63.9	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-36.8	178	-75.7	171	0	0	0	112.3	Y735 A777 F778 L858 V859 E860 S866	Y735-L862 HydrophobicContact CD1-CD1 4.43Å; Y735-L862 HydrophobicContact CD2-CD1 4.04Å; Y735-L862 HydrophobicContact CD2-CD2 3.76Å; Y735-L862 HydrophobicContact CE1-CD1 4.31Å; Y735-L862 HydrophobicContact CE2-CD1 3.89Å; Y735-L862 HydrophobicContact CE2-CD2 3.72Å; Y735-L862 HydrophobicContact CE2-CG 4.48Å; Y735-L862 HydrophobicContact CG-CD1 4.3Å; A777-L862 HydrophobicContact CB-CD2 3.87Å; F778-L862 HydrophobicContact CE1-CB 4.18Å; L858-L862 HydrophobicContact CD1-CD1 4.17Å; L858-L862 HydrophobicContact CD1-CG 4.16Å; L858-L862 HydrophobicContact CG-CD1 3.97Å; L858-L862 HydrophobicContact CG-CG 4.39Å; L858-L862 WeakPolarHBondContact O-CB 3.28Å; L858-L862 VanDerWaalsContact O-CG 3.25Å; L858-L862 WeakPolarHBondContact O-CG 3.28Å; L858-L862 PolarHBondContact O-N 3.07Å; V859-L862 PolarHBondContact O-N 2.88Å; E860-L862 PolarHBondContact O-N 3.06Å; L862-S866 VanDerWaalsContact O-CB 3.32Å; L862-S866 WeakPolarHBondContact O-CB 3.48Å; L862-S866 PolarHBondContact O-N 3.32Å; L862-S866 PolarHBondContact O-OG 3.22Å
863	V	92.9	Very high	84.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72.2	-50.2	177.2	170.4	0	0	0	0	110.2	F778 L780 F796 Y799 K800 M803 V859 E860 G865 S866 M867	F778-V863 HydrophobicContact CZ-CG2 4.08Å; L780-V863 HydrophobicContact CD2-CG1 3.9Å; F796-V863 HydrophobicContact CE2-CG1 4.17Å; F796-V863 HydrophobicContact CZ-CG1 3.61Å; Y799-V863 HydrophobicContact CE1-CG1 4.29Å; Y799-V863 HydrophobicContact CE1-CG2 3.8Å; K800-V863 HydrophobicContact CD-CG1 4.34Å; K800-V863 HydrophobicContact CG-CG2 4.3Å; M803-V863 HydrophobicContact SD-CG2 3.84Å; V859-V863 WeakPolarHBondContact O-CG2 3.26Å; V859-V863 PolarHBondContact O-N 3.49Å; E860-V863 PolarHBondContact O-N 2.83Å; V863-G865 PolarHBondContact O-N 2.77Å; V863-S866 PolarHBondContact O-N 2.9Å; V863-S866 VanDerWaalsContact O-N 3.08Å; V863-M867 HydrophobicContact CG1-CE 4.02Å; V863-M867 HydrophobicContact CG1-SD 4.27Å; V863-M867 WeakPolarHBondContact O-CG 3.49Å; V863-M867 PolarHBondContact O-N 2.86Å
864	D	88.7	Confident	82.4	Confident	53 Å²	53	64.7 Å²	64.7	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-43.9	178.6	-130.1	-8.5	0	0	0	112.1	E860 S866 M867 R868	E860-D864 WeakPolarHBondContact O-CB 3.39Å; E860-D864 PolarHBondContact O-N 2.92Å; D864-S866 VanDerWaalsContact C-N 3.28Å; D864-S866 PolarHBondContact O-N 3.42Å; D864-M867 PolarHBondContact O-N 3.29Å; D864-R868 WeakPolarHBondContact O-CB 3.47Å; D864-R868 WeakPolarHBondContact O-CG 3.12Å; D864-R868 PolarHBondContact O-N 3.41Å; D864-R868 VanDerWaalsContact O-N 3.12Å; D864-R868 IonicContact OD1-CZ 3.15Å; D864-R868 IonicContact OD1-NE 2.8Å; D864-R868 PolarHBondContact OD1-NE 2.91Å; D864-R868 IonicContact OD1-NH2 2.71Å; D864-R868 PolarHBondContact OD1-NH2 3.02Å; D864-R868 IonicContact OD2-CZ 3.65Å; D864-R868 IonicContact OD2-NE 2.74Å; D864-R868 IonicContact OD2-NH2 2.92Å; D864-R868 PolarHBondContact OD2-NH2 2.85Å
865	G	86.2	Confident	81	Confident	45 Å²	45	61.2 Å²	61.2	46%	0.464	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-19.2	176.4	0	0	0	0	0	114.8	Q861 V863	Q861-G865 PolarHBondContact O-N 2.72Å; V863-G865 PolarHBondContact O-N 2.77Å
866	S	85.9	Confident	79.6	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-88.3	-39.6	174.8	-59	0	0	0	0	111.7	L862 V863 D864 S869	L862-S866 VanDerWaalsContact O-CB 3.32Å; L862-S866 WeakPolarHBondContact O-CB 3.48Å; L862-S866 PolarHBondContact O-N 3.32Å; L862-S866 PolarHBondContact O-OG 3.22Å; V863-S866 PolarHBondContact O-N 2.9Å; V863-S866 VanDerWaalsContact O-N 3.08Å; D864-S866 VanDerWaalsContact C-N 3.28Å; D864-S866 PolarHBondContact O-N 3.42Å; S866-S869 WeakPolarHBondContact O-CB 3.21Å; S866-S869 PolarHBondContact O-N 2.87Å
867	M	81.4	Confident	78.1	Confident	50 Å²	50	60.2 Å²	60.2	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.6	-66.7	-173	-59.4	0	0	112.9	L780 V785 L791 F796 V863 D864 S869	L780-M867 HydrophobicContact CD2-CG 3.53Å; L780-M867 HydrophobicContact CD2-SD 4.2Å; L780-M867 HydrophobicContact CG-CG 3.88Å; V785-M867 HydrophobicContact CG2-SD 3.95Å; L791-M867 HydrophobicContact CD2-CE 3.8Å; L791-M867 HydrophobicContact CD2-SD 3.48Å; L791-M867 WeakPolarHBondContact CD2-SD 3.41Å; F796-M867 HydrophobicContact CE2-SD 4.07Å; F796-M867 HydrophobicContact CZ-CE 4.1Å; F796-M867 HydrophobicContact CZ-SD 3.72Å; V863-M867 HydrophobicContact CG1-CE 4.02Å; V863-M867 HydrophobicContact CG1-SD 4.27Å; V863-M867 WeakPolarHBondContact O-CG 3.49Å; V863-M867 PolarHBondContact O-N 2.86Å; D864-M867 PolarHBondContact O-N 3.29Å; M867-S869 PolarHBondContact O-N 3.38Å; M867-S869 VanDerWaalsContact O-N 3.15Å
868	R	68.9	Low	76.7	Confident	183 Å²	183	58.5 Å²	58.5	69%	0.691	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	16.7	-177.3	-58.3	178.4	-159.8	-155	7.5	113.1	D864 I870	D864-R868 WeakPolarHBondContact O-CB 3.47Å; D864-R868 WeakPolarHBondContact O-CG 3.12Å; D864-R868 PolarHBondContact O-N 3.41Å; D864-R868 VanDerWaalsContact O-N 3.12Å; D864-R868 IonicContact OD1-CZ 3.15Å; D864-R868 IonicContact OD1-NE 2.8Å; D864-R868 PolarHBondContact OD1-NE 2.91Å; D864-R868 IonicContact OD1-NH2 2.71Å; D864-R868 PolarHBondContact OD1-NH2 3.02Å; D864-R868 IonicContact OD2-CZ 3.65Å; D864-R868 IonicContact OD2-NE 2.74Å; D864-R868 IonicContact OD2-NH2 2.92Å; D864-R868 PolarHBondContact OD2-NH2 2.85Å; R868-I870 PolarHBondContact O-N 2.92Å; R868-I870 VanDerWaalsContact O-N 3.09Å
869	S	68.9	Low	75.6	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.063	29%	0.292	C	S	.	.			trans	-75.8	96.4	-174.6	-171.3	0	0	0	0	113.4	S776 S866 M867 T871 T872 K873	S776-S869 WeakPolarHBondContact OG-CB 3.47Å; S776-S869 PolarHBondContact OG-OG 2.99Å; S866-S869 WeakPolarHBondContact O-CB 3.21Å; S866-S869 PolarHBondContact O-N 2.87Å; M867-S869 PolarHBondContact O-N 3.38Å; M867-S869 VanDerWaalsContact O-N 3.15Å; S869-T871 PolarHBondContact O-N 3.42Å; S869-T871 PolarHBondContact OG-OG1 2.75Å; S869-T872 WeakPolarHBondContact CB-OG1 3.27Å; S869-T872 PolarHBondContact O-N 2.93Å; S869-T872 PolarHBondContact OG-N 3.24Å; S869-T872 PolarHBondContact OG-OG1 2.82Å; S869-K873 PolarHBondContact O-N 3.24Å
870	I	57.4	Low	74.3	Confident	126 Å²	126	63.5 Å²	63.5	65%	0.646	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-35.7	165.5	-55.5	174.9	0	0	0	109.9	R868 T872 K873 L874	R868-I870 PolarHBondContact O-N 2.92Å; R868-I870 VanDerWaalsContact O-N 3.09Å; I870-T872 PolarHBondContact O-N 3.08Å; I870-K873 PolarHBondContact O-N 3.28Å; I870-L874 HydrophobicContact CG2-CD1 4Å; I870-L874 HydrophobicContact CG2-CG 4.3Å; I870-L874 WeakPolarHBondContact O-CG 2.89Å; I870-L874 PolarHBondContact O-N 3.28Å
871	T	59.3	Low	72.7	Confident	36 Å²	36	65.6 Å²	65.6	22%	0.221	33%	0.332	C	S	.	.	H	α-helix	trans	-65.8	-35.8	-179.8	34	0	0	0	0	113.3	F773 T775 S869 L874 Y875	F773-T871 WeakPolarHBondContact O-CB 3.45Å; F773-T871 WeakPolarHBondContact O-CG2 3.47Å; T775-T871 PolarHBondContact OG1-OG1 2.99Å; S869-T871 PolarHBondContact O-N 3.42Å; S869-T871 PolarHBondContact OG-OG1 2.75Å; T871-L874 PolarHBondContact O-N 2.97Å; T871-Y875 WeakPolarHBondContact O-CB 3.2Å; T871-Y875 PolarHBondContact O-N 3.09Å
872	T	62.2	Low	71.2	Confident	16 Å²	16	62.5 Å²	62.5	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-45.7	171.2	-63.1	0	0	0	0	111.4	K779 S869 I870 L874 Y875 D876	K779-T872 HydrophobicContact CD-CG2 3.97Å; K779-T872 HydrophobicContact CG-CG2 3.96Å; S869-T872 WeakPolarHBondContact CB-OG1 3.27Å; S869-T872 PolarHBondContact O-N 2.93Å; S869-T872 PolarHBondContact OG-N 3.24Å; S869-T872 PolarHBondContact OG-OG1 2.82Å; I870-T872 PolarHBondContact O-N 3.08Å; T872-L874 PolarHBondContact O-N 2.91Å; T872-Y875 PolarHBondContact O-N 2.97Å; T872-Y875 VanDerWaalsContact O-N 3.09Å; T872-D876 PolarHBondContact O-N 2.69Å
873	K	64.3	Low	69.8	Low	147 Å²	147	64.5 Å²	64.5	64%	0.639	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-39.9	177.5	-64.7	-172.5	178.4	-173.1	0	112.7	S869 I870 Y875 S877	S869-K873 PolarHBondContact O-N 3.24Å; I870-K873 PolarHBondContact O-N 3.28Å; K873-Y875 VanDerWaalsContact C-N 3.34Å; K873-S877 WeakPolarHBondContact O-CB 3.32Å; K873-S877 PolarHBondContact O-N 3.15Å; K873-S877 PolarHBondContact O-OG 2.99Å
874	L	58.8	Low	68.3	Low	109 Å²	109	66.4 Å²	66.4	57%	0.571	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-36	172.5	-70.5	171.3	0	0	0	112.2	I870 T871 T872 S877 F878	I870-L874 HydrophobicContact CG2-CD1 4Å; I870-L874 HydrophobicContact CG2-CG 4.3Å; I870-L874 WeakPolarHBondContact O-CG 2.89Å; I870-L874 PolarHBondContact O-N 3.28Å; T871-L874 PolarHBondContact O-N 2.97Å; T872-L874 PolarHBondContact O-N 2.91Å; L874-S877 PolarHBondContact O-N 2.87Å; L874-F878 WeakPolarHBondContact O-CB 3.34Å; L874-F878 PolarHBondContact O-N 3.39Å
875	Y	65.9	Low	67	Low	15 Å²	15	65 Å²	65	6%	0.059	35%	0.346	C	S	.	.	H	α-helix	trans	-72.1	-42.9	179	-162.5	-104.8	0	0	0	112.6	D741 T871 T872 K873 S877 F878 Q879	D741-Y875 VanDerWaalsContact CG-OH 3.29Å; D741-Y875 WeakPolarHBondContact OD1-CE1 3.37Å; D741-Y875 PolarHBondContact OD1-OH 3.18Å; T871-Y875 WeakPolarHBondContact O-CB 3.2Å; T871-Y875 PolarHBondContact O-N 3.09Å; T872-Y875 PolarHBondContact O-N 2.97Å; T872-Y875 VanDerWaalsContact O-N 3.09Å; K873-Y875 VanDerWaalsContact C-N 3.34Å; Y875-S877 VanDerWaalsContact C-N 3.3Å; Y875-S877 PolarHBondContact O-N 3.15Å; Y875-F878 HydrophobicContact CE2-CD1 4.34Å; Y875-F878 WeakPolarHBondContact O-CB 3.36Å; Y875-F878 PolarHBondContact O-N 3.15Å; Y875-Q879 HydrophobicContact CD1-CG 4.03Å; Y875-Q879 HydrophobicContact CE1-CG 3.76Å; Y875-Q879 WeakPolarHBondContact O-CB 3.45Å; Y875-Q879 WeakPolarHBondContact O-CG 3.46Å; Y875-Q879 PolarHBondContact O-N 2.77Å; Y875-Q879 PolarHBondContact OH-NE2 2.88Å; Y875-Q879 VanDerWaalsContact OH-NE2 3.12Å
876	D	67.3	Low	65.1	Low	27 Å²	27	66.4 Å²	66.4	14%	0.144	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-42	170.9	-70.3	-34.5	0	0	0	110.7	K779 T872 F878 Q879 Y880	K779-D876 WeakPolarHBondContact CE-OD2 3.12Å; K779-D876 IonicContact NZ-OD1 2.73Å; K779-D876 PolarHBondContact NZ-OD1 3.33Å; K779-D876 IonicContact NZ-OD2 2.77Å; K779-D876 PolarHBondContact NZ-OD2 3.41Å; T872-D876 PolarHBondContact O-N 2.69Å; D876-F878 VanDerWaalsContact C-N 3.33Å; D876-F878 PolarHBondContact O-N 2.7Å; D876-Q879 PolarHBondContact O-N 2.82Å; D876-Y880 WeakPolarHBondContact O-CB 3.22Å; D876-Y880 PolarHBondContact O-N 3.35Å
877	S	63.8	Low	64.1	Low	68 Å²	68	69.6 Å²	69.6	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-60.9	-40.4	174.9	-56.3	0	0	0	0	112.5	K873 L874 Y875 V881	K873-S877 WeakPolarHBondContact O-CB 3.32Å; K873-S877 PolarHBondContact O-N 3.15Å; K873-S877 PolarHBondContact O-OG 2.99Å; L874-S877 PolarHBondContact O-N 2.87Å; Y875-S877 VanDerWaalsContact C-N 3.3Å; Y875-S877 PolarHBondContact O-N 3.15Å; S877-V881 WeakPolarHBondContact O-CB 3.35Å; S877-V881 WeakPolarHBondContact O-CG2 3.2Å; S877-V881 PolarHBondContact O-N 3.11Å
878	F	67.8	Low	63.2	Low	78 Å²	78	70.6 Å²	70.6	34%	0.342	36%	0.363	S	S	.	.	H	α-helix	trans	-65.7	-41	174	172.1	-93.7	0	0	0	112.1	L874 Y875 D876 V881 T882	L874-F878 WeakPolarHBondContact O-CB 3.34Å; L874-F878 PolarHBondContact O-N 3.39Å; Y875-F878 HydrophobicContact CE2-CD1 4.34Å; Y875-F878 WeakPolarHBondContact O-CB 3.36Å; Y875-F878 PolarHBondContact O-N 3.15Å; D876-F878 VanDerWaalsContact C-N 3.33Å; D876-F878 PolarHBondContact O-N 2.7Å; F878-V881 PolarHBondContact O-N 2.57Å; F878-T882 HydrophobicContact CD2-CG2 4.03Å; F878-T882 HydrophobicContact CE1-CG2 4.32Å; F878-T882 HydrophobicContact CE2-CG2 3.68Å; F878-T882 HydrophobicContact CG-CG2 4.49Å; F878-T882 HydrophobicContact CZ-CG2 3.84Å; F878-T882 WeakPolarHBondContact O-CB 3.45Å; F878-T882 WeakPolarHBondContact O-CG2 3.14Å; F878-T882 PolarHBondContact O-N 3.27Å; F878-T882 PolarHBondContact O-OG1 2.93Å
879	Q	71.8	Confident	62.9	Low	7 Å²	7	64.4 Å²	64.4	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-70.6	-32.9	178.3	-71.4	-71.5	5.7	0	0	112.3	D741 H743 Y875 D876 N883 G884 I885	D741-Q879 PolarHBondContact OD1-NE2 2.96Å; H743-Q879 HydrophobicContact CB-CB 4.35Å; H743-Q879 HydrophobicContact CB-CG 4.04Å; H743-Q879 VanDerWaalsContact CD2-CD 3.43Å; H743-Q879 PolarHBondContact CD2-NE2 2.95Å; Y875-Q879 HydrophobicContact CD1-CG 4.03Å; Y875-Q879 HydrophobicContact CE1-CG 3.76Å; Y875-Q879 WeakPolarHBondContact O-CB 3.45Å; Y875-Q879 WeakPolarHBondContact O-CG 3.46Å; Y875-Q879 PolarHBondContact O-N 2.77Å; Y875-Q879 PolarHBondContact OH-NE2 2.88Å; Y875-Q879 VanDerWaalsContact OH-NE2 3.12Å; D876-Q879 PolarHBondContact O-N 2.82Å; Q879-N883 CarbonylContact O-C 3.28Å; Q879-N883 WeakPolarHBondContact O-CA 3.42Å; Q879-N883 WeakPolarHBondContact O-CB 3.08Å; Q879-N883 PolarHBondContact O-N 3.1Å; Q879-N883 PolarHBondContact OE1-ND2 2.99Å; Q879-G884 PolarHBondContact O-N 2.9Å; Q879-I885 HydrophobicContact CB-CB 4.24Å; Q879-I885 PolarHBondContact O-N 3.23Å
880	Y	69.9	Low	62.5	Low	127 Å²	127	67.6 Å²	67.6	50%	0.498	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-52.6	167.9	-178.9	-108	0	0	0	111.2	D876 T882 G884 I885 M886	D876-Y880 WeakPolarHBondContact O-CB 3.22Å; D876-Y880 PolarHBondContact O-N 3.35Å; Y880-T882 VanDerWaalsContact C-N 3.35Å; Y880-T882 PolarHBondContact O-N 3.24Å; Y880-G884 WeakPolarHBondContact O-CA 3.15Å; Y880-G884 PolarHBondContact O-N 3.39Å; Y880-I885 WeakPolarHBondContact CA-O 3.22Å; Y880-I885 PolarHBondContact N-O 2.92Å; Y880-M886 HydrophobicContact CD2-CB 3.94Å; Y880-M886 HydrophobicContact CD2-CG 4.34Å; Y880-M886 HydrophobicContact CE2-CB 4.17Å; Y880-M886 HydrophobicContact CE2-CE 4.18Å; Y880-M886 HydrophobicContact CE2-CG 4.34Å
881	V	60.3	Low	62.8	Low	118 Å²	118	64 Å²	64	72%	0.715	34%	0.343	S	S	*	.	H	α-helix	trans	-66.4	-30.9	-178.8	170.7	0	0	0	0	113.4	S877 F878	S877-V881 WeakPolarHBondContact O-CB 3.35Å; S877-V881 WeakPolarHBondContact O-CG2 3.2Å; S877-V881 PolarHBondContact O-N 3.11Å; F878-V881 PolarHBondContact O-N 2.57Å
882	T	60.6	Low	63.1	Low	71 Å²	71	65.9 Å²	65.9	44%	0.436	35%	0.351	S	S	.	.	H	α-helix	trans	-104.1	-25.7	-174.1	59.7	0	0	0	0	115.7	F878 Y880	F878-T882 HydrophobicContact CD2-CG2 4.03Å; F878-T882 HydrophobicContact CE1-CG2 4.32Å; F878-T882 HydrophobicContact CE2-CG2 3.68Å; F878-T882 HydrophobicContact CG-CG2 4.49Å; F878-T882 HydrophobicContact CZ-CG2 3.84Å; F878-T882 WeakPolarHBondContact O-CB 3.45Å; F878-T882 WeakPolarHBondContact O-CG2 3.14Å; F878-T882 PolarHBondContact O-N 3.27Å; F878-T882 PolarHBondContact O-OG1 2.93Å; Y880-T882 VanDerWaalsContact C-N 3.35Å; Y880-T882 PolarHBondContact O-N 3.24Å
883	N	62.9	Low	63.1	Low	67 Å²	67	69.4 Å²	69.4	36%	0.358	37%	0.369	S	S	.	.	H	α-helix	trans	-129.7	0.2	-178.8	-68.1	-79.7	0	0	0	113.5	K457 Q879 I885	K457-N883 WeakPolarHBondContact CE-OD1 3.25Å; K457-N883 PolarHBondContact NZ-OD1 3.21Å; Q879-N883 CarbonylContact O-C 3.28Å; Q879-N883 WeakPolarHBondContact O-CA 3.42Å; Q879-N883 WeakPolarHBondContact O-CB 3.08Å; Q879-N883 PolarHBondContact O-N 3.1Å; Q879-N883 PolarHBondContact OE1-ND2 2.99Å; N883-I885 VanDerWaalsContact C-N 3.27Å; N883-I885 HydrophobicContact CB-CD1 3.87Å; N883-I885 HydrophobicContact CB-CG1 3.86Å; N883-I885 PolarHBondContact O-N 3.18Å
884	G	62.8	Low	63	Low	40 Å²	40	63.5 Å²	63.5	41%	0.412	35%	0.349	S	S	.	.			trans	77.5	6.1	-176.5	0	0	0	0	0	114.8	H690 Q879 Y880 M886	H690-G884 PolarHBondContact CE1-O 3.03Å; Q879-G884 PolarHBondContact O-N 2.9Å; Y880-G884 WeakPolarHBondContact O-CA 3.15Å; Y880-G884 PolarHBondContact O-N 3.39Å; G884-M886 PolarHBondContact O-N 2.86Å; G884-M886 VanDerWaalsContact O-N 3.09Å
885	I	60.6	Low	63.4	Low	24 Å²	24	59.7 Å²	59.7	12%	0.123	33%	0.33	C	S	.	.			trans	-81.8	94.2	-171.3	-55.4	178.3	0	0	0	110.5	H690 H743 N744 Q879 Y880 N883	H690-I885 HydrophobicContact CB-CG2 4.08Å; H743-I885 VanDerWaalsContact CE1-CD1 3.46Å; H743-I885 WeakPolarHBondContact CE1-CD1 3.29Å; N744-I885 HydrophobicContact CB-CG2 4.27Å; Q879-I885 HydrophobicContact CB-CB 4.24Å; Q879-I885 PolarHBondContact O-N 3.23Å; Y880-I885 WeakPolarHBondContact CA-O 3.22Å; Y880-I885 PolarHBondContact N-O 2.92Å; N883-I885 VanDerWaalsContact C-N 3.27Å; N883-I885 HydrophobicContact CB-CD1 3.87Å; N883-I885 HydrophobicContact CB-CG1 3.86Å; N883-I885 PolarHBondContact O-N 3.18Å
886	M	47	Very low	63.1	Low	74 Å²	74	63.7 Å²	63.7	37%	0.365	36%	0.355	S	S	.	.			trans	-72.2	0	165.9	-159.2	-165.9	-60	0	0	112.5	H690 R693 N744 Y880 G884	H690-M886 PolarHBondContact CE1-N 2.66Å; H690-M886 PolarHBondContact ND1-N 3.2Å; H690-M886 PolarHBondContact ND1-O 3.33Å; R693-M886 HydrophobicContact CG-SD 4.09Å; N744-M886 WeakPolarHBondContact CB-O 3Å; N744-M886 PolarHBondContact ND2-O 3.12Å; N744-M886 PolarHBondContact ND2-OXT 2.89Å; Y880-M886 HydrophobicContact CD2-CB 3.94Å; Y880-M886 HydrophobicContact CD2-CG 4.34Å; Y880-M886 HydrophobicContact CE2-CB 4.17Å; Y880-M886 HydrophobicContact CE2-CE 4.18Å; Y880-M886 HydrophobicContact CE2-CG 4.34Å; G884-M886 PolarHBondContact O-N 2.86Å; G884-M886 VanDerWaalsContact O-N 3.09Å

Retrieved 886 of 886 residues in 494.2 ms (Link to these results)

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