A0A096MZM8_PAPAN Loading...

Cohesin subunit SA

Component of cohesin complex, a complex required for the cohesion of sister chromatids after DNA replication. The cohesin complex apparently forms a large proteinaceous ring within which sister chromatids can be trapped. At anaphase, the complex is cleaved and dissociates from chromatin, allowing sister chromatids to segregate.

AlphaFold DB (A0A2K5LBQ4), UniProt , Accession A0A096MZM8, Species PAPAN (Papio anubis, Olive baboon), Gene STAG2, Length 1,268 aa.

						>A0A096MZM8_PAPAN|A0A096MZM8|STAG2
MIAAPEIPTDFNLLQESETHFSSDTDFEDIEGKNQKQGKGKTCKKGKKGPAEKGKGGNGGGKPPSGPNRMNGHHQQNGVENMMLFEVVKMGKSAMQSVVDDWIESYKHDRDIALLDLINFFIQCSGCKGVVTAEMFRHMQNSEIIRKMTEEFDEDSGDYPLTMAGPQWKKFKSSFCEFIGVLVRQCQYSIIYDEYMMDTVISLLTGLSDSQVRAFRHTSTLAAMKLMTALVNVALNLSINMDNTQRQYEAERNKMIGKRANERLELLLQKRKELQENQDEIENMMNAIFKGVFVHRYRDAIAEIRAICIEEIGIWMKMYSDAFLNDSYLKYVGWTMHDKQGEVRLKCLTALQGLYYNKELNSKLELFTSRFKDRIVSMTLDKEYDVAVQAIKLLTLVLQSSEEVLTAEDCENVYHLVYSAHRPVAVAAGEFLFKKLFSRRDPEEDGMMKRRGRQGPNANLVKTLVFFFLESELHEHAAYLVDSMWDCATELLKDWECMNSLLLEEPLSGEEALTDRQESALIEIMLCTIRQAAECHPPVGRGTGKRVLTAKEKKTQLDDRTKITELFAVALPQLLAKYSVDAEKVTNLLQLPQYFDLEIYTTGRLEKHLDALLRQIRNIVEKHTDTDVLEACSKTYHALCNEEFTIFNRVDISRSQLIDELADKFNRLLEDFLQEGEEPDEDDAYQVLSTLKRITAFHNAHDLSKWDLFACNYKLLKTGIENGDMPEQIVIHALQCTHYVILWQLAKITESSSTKEDLLRLKKQMRVFCQICQHYLTNVNTTVKEQAFTILCDILMIFSHQIMSGGRDMLEPLVYTPDSSLQSELLSFILDHVFIEQDDDNNSADGQQEDEASKIEALHKRRNLLAAFCKLIVYTVVEMNTAADIFKQYMKYYNDYGDIIKETMSKTRQIDKIQCAKTLILSLQQLFNEMIQENGYNFDRSSSTFSGIKELARRFALTFGLDQLKTREAIAMLHKDGIEFAFKEPNPQGESHPPLNLAFLDILSEFSSKLLRQDKRTVYVYLEKFMTFQMSLRREDVWLPLMSYRNSLLAGGDDDTMSVISGISSRGSTVRSKKSKPSTGKRKVVEGMQLSLTEESSSSDSMWLSREQTLHTPVMMQTPQLTSTIMREPKRLRPEDSFMSVYPMQTEHHQTPLDYNTQVTWMLAQRQQEEARQQQERAAMSYVKLRTNLQHAIRRGTSLMEDDEEPIVEDVMMSSEGRIEDLNEGMDFDTMDIDLPPSKNRRERTELKPDFFDPASIMDESVLGVSMF
					

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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	29.7	Very low	32.6	Very low	227 Å²	227	136.8 Å²	136.8	100%	1.118	77%	0.77	S	S	*	*				0	140.1	0	-62	177.4	-168	0	0	107.6
2	I	26.5	Very low	32.8	Very low	163 Å²	163	135.3 Å²	135.3	84%	0.836	76%	0.759	S	S	*	*				41.6	120.8	127.2	-51.7	170.6	0	0	0	116.4
3	A	25.8	Very low	32.4	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	76%	0.759	S	S	*	*			cis	-163.6	176.7	-5.4	0	0	0	0	0	111.5
4	A	30.8	Very low	32.4	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	76%	0.759	S	S	*	*			trans	-88.6	-159.7	164.1	0	0	0	0	0	110.3
5	P	49.3	Very low	32.4	Very low	99 Å²	99	136.4 Å²	136.4	64%	0.643	75%	0.75	S	S	*	*			cis	-114.5	-152.1	13.9	40.3	-21.8	0	0	0	112.2
6	E	28.6	Very low	32.3	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	75%	0.75	S	S	*	*			cis	-156.5	160.1	3.4	-134.8	137.6	-116.7	0	0	107.7
7	I	28.1	Very low	32	Very low	149 Å²	149	135.3 Å²	135.3	76%	0.764	74%	0.744	S	S	*	*			cis	77.6	147.5	21.1	-64.7	168.6	0	0	0	112.2
8	P	49.3	Very low	31.8	Very low	102 Å²	102	137.3 Å²	137.3	66%	0.662	75%	0.747	S	S	*	*			cis	-132.4	-170.1	7.5	26.6	-1	0	0	0	118.1
9	T	29.2	Very low	31.6	Very low	116 Å²	116	135.2 Å²	135.2	71%	0.712	74%	0.739	S	S	*	*			trans	91.3	135.9	157.3	70.8	0	0	0	0	118.6
10	D	33.7	Very low	31.4	Very low	140 Å²	140	136.1 Å²	136.1	75%	0.749	74%	0.738	S	S	*	*			cis	-173.4	165.7	-11.9	-104.2	-26.3	0	0	0	109.8
11	F	27.8	Very low	31.1	Very low	169 Å²	169	138.6 Å²	138.6	74%	0.741	74%	0.742	S	S	*	*			cis	-145.2	-115.2	-5	-167.1	-114.4	0	0	0	113
12	N	35.2	Very low	30.9	Very low	118 Å²	118	132.8 Å²	132.8	63%	0.631	72%	0.724	S	S	*	*			trans	-151	156.9	-163.4	-70.5	-78.2	0	0	0	117.5
13	L	27.1	Very low	30.9	Very low	146 Å²	146	130.4 Å²	130.4	76%	0.764	72%	0.721	S	S	*	*				173.8	123.3	125.1	-110.1	75.9	0	0	0	110.7
14	L	33	Very low	30.9	Very low	145 Å²	145	132 Å²	132	76%	0.759	72%	0.717	S	S	*	*				70.7	139.4	88.5	-70.7	-171.6	0	0	0	116.2
15	Q	32.1	Very low	30.7	Very low	132 Å²	132	133.4 Å²	133.4	62%	0.617	72%	0.717	S	S	*	*			cis	-173.1	148.2	5	169.2	173.6	6.8	0	0	113.5
16	E	29.8	Very low	29.5	Very low	161 Å²	161	135.2 Å²	135.2	75%	0.752	72%	0.721	S	S	*	*			trans	53.6	162.1	156.8	-74	153.6	-151.6	0	0	122.3
17	S	28.2	Very low	29.4	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	72%	0.724	S	S	*	*			cis	-174.3	148.3	-22.7	56.2	0	0	0	0	112.8
18	E	28.9	Very low	29.3	Very low	171 Å²	171	138.6 Å²	138.6	80%	0.799	73%	0.731	S	S	*	*			trans	65	162.6	149.6	-78.3	-150.4	-132	0	0	121.9
19	T	28	Very low	28.3	Very low	97 Å²	97	140.1 Å²	140.1	60%	0.595	73%	0.733	S	S	*	*			cis	-156.4	164.6	-25	13.9	0	0	0	0	114.2
20	H	27.8	Very low	28.4	Very low	154 Å²	154	142.6 Å²	142.6	71%	0.713	74%	0.74	S	S	*	*			trans	59.7	126.3	146.1	-75.4	-55.3	0	0	0	127.5
21	F	23.9	Very low	28.1	Very low	189 Å²	189	143.3 Å²	143.3	83%	0.829	74%	0.739	S	S	*	*			trans	70.2	155	130.6	-84.3	-55.3	0	0	0	127.9
22	S	26.1	Very low	28.2	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	74%	0.743	S	S	*	*			trans	-49	170.4	165.6	-124.2	0	0	0	0	115.1
23	S	26.3	Very low	27.9	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	74%	0.744	S	S	*	*				-167	-174.3	55	63.7	0	0	0	0	116.6
24	D	25.4	Very low	27.9	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	74%	0.741	S	S	*	*			trans	-73.4	177.1	-179.6	-57.7	-87.8	0	0	0	118
25	T	26.3	Very low	27.7	Very low	119 Å²	119	140 Å²	140	73%	0.73	74%	0.738	S	S	*	*			trans	59.8	132.2	150	42.7	0	0	0	0	118.9
26	D	25	Very low	27.5	Very low	136 Å²	136	142 Å²	142	73%	0.727	75%	0.745	S	S	*	*				-161.8	151.8	57.1	-92.4	-41.3	0	0	0	110.3
27	F	25.8	Very low	27.3	Very low	185 Å²	185	143.1 Å²	143.1	81%	0.811	75%	0.75	S	S	*	*				63.5	108.2	74.5	-100.2	-71.3	0	0	0	116.5
28	E	26.8	Very low	27.2	Very low	192 Å²	192	142.5 Å²	142.5	90%	0.897	76%	0.758	S	S	*	*			trans	-158.1	160.1	140.8	-130.3	178.8	-147.3	0	0	111.6
29	D	27.1	Very low	27.2	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	76%	0.764	S	S	*	*			trans	-84.6	171	-157.4	-65	-59.3	0	0	0	117.2
30	I	31.4	Very low	27.1	Very low	167 Å²	167	143.4 Å²	143.4	86%	0.856	77%	0.772	S	S	*	*				-178.2	141.1	107.7	-91.4	162	0	0	0	112.6
31	E	28.8	Very low	27.2	Very low	156 Å²	156	142.7 Å²	142.7	73%	0.729	77%	0.766	S	S	*	*			trans	-65.8	147.5	178.4	-62	-169	108.7	0	0	114.5	K33	E31-K33 VanDerWaalsContact CD-NZ 3.31Å; E31-K33 IonicContact OE1-NZ 3.53Å; E31-K33 PolarHBondContact OE1-NZ 3.43Å; E31-K33 IonicContact OE2-NZ 3.9Å; E31-K33 PolarHBondContact OE2-NZ 2.84Å
32	G	28.3	Very low	27.3	Very low	80 Å²	80	141 Å²	141	83%	0.825	77%	0.772	S	S	*	*			trans	-149.5	90.6	174.1	0	0	0	0	0	114.4
33	K	30.1	Very low	27.3	Very low	149 Å²	149	141.4 Å²	141.4	65%	0.648	77%	0.774	S	S	*	*			trans	-77.9	153.3	-170.9	-71.1	169.8	173	103.2	0	115.2	E31	E31-K33 VanDerWaalsContact CD-NZ 3.31Å; E31-K33 IonicContact OE1-NZ 3.53Å; E31-K33 PolarHBondContact OE1-NZ 3.43Å; E31-K33 IonicContact OE2-NZ 3.9Å; E31-K33 PolarHBondContact OE2-NZ 2.84Å
34	N	27.4	Very low	27.5	Very low	129 Å²	129	145.1 Å²	145.1	69%	0.69	78%	0.775	S	S	*	*			trans	90.1	116.2	144.2	-78.1	-37.4	0	0	0	123.8
35	Q	28.6	Very low	27.5	Very low	151 Å²	151	149 Å²	149	71%	0.706	79%	0.786	S	S	*	*				82.6	105.3	122	-69.1	-179.4	46.8	0	0	123.9
36	K	26.8	Very low	27.6	Very low	174 Å²	174	147 Å²	147	76%	0.757	79%	0.79	S	S	*	*				58	118.9	115.2	-72.7	-178.1	176.9	175	0	121.7
37	Q	27	Very low	28	Very low	184 Å²	184	150.8 Å²	150.8	86%	0.86	80%	0.8	S	S	*	*			trans	70.2	122.4	137	-59.9	-177.8	10.1	0	0	120.2
38	G	26.1	Very low	28.1	Very low	80 Å²	80	152.1 Å²	152.1	83%	0.825	81%	0.805	S	S	*	*			trans	-167.7	70.5	173.9	0	0	0	0	0	115.7
39	K	28.1	Very low	28.4	Very low	214 Å²	214	146.5 Å²	146.5	93%	0.93	80%	0.799	S	S	*	*			trans	-56	141.3	-176.2	-61.8	164.4	178.2	167.6	0	115.2
40	G	26.8	Very low	28.7	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	81%	0.807	S	S	*	*				142.3	120.7	118	0	0	0	0	0	121.9
41	K	29.1	Very low	28.5	Very low	138 Å²	138	143.1 Å²	143.1	60%	0.6	80%	0.803	S	S	*	*			trans	36.2	122.8	143.9	-72.7	-172.5	172.8	-173.2	0	120.5	E251	K41-E251 IonicContact NZ-OE1 2.69Å; K41-E251 PolarHBondContact NZ-OE1 2.95Å; K41-E251 IonicContact NZ-OE2 2.81Å
42	T	26.6	Very low	28.7	Very low	154 Å²	154	143.6 Å²	143.6	95%	0.945	81%	0.805	S	S	*	*				-151	-179.5	121.5	4.8	0	0	0	0	109.9
43	C	26.1	Very low	28.8	Very low	113 Å²	113	149 Å²	149	76%	0.764	81%	0.806	S	S	*	*			trans	-145	150.8	-152.7	-148.5	0	0	0	0	116.2
44	K	29.1	Very low	28.7	Very low	190 Å²	190	145.2 Å²	145.2	83%	0.826	81%	0.809	S	S	*	*			trans	54.4	118.6	161.3	-70.3	175.2	178.5	-177.6	0	119.4
45	K	27.2	Very low	29	Very low	210 Å²	210	149.7 Å²	149.7	91%	0.913	82%	0.822	S	S	*	*				174.4	146	101.4	-97.8	-178	178.7	179.7	0	114.3
46	G	26.5	Very low	29	Very low	79 Å²	79	146.4 Å²	146.4	81%	0.814	83%	0.829	S	S	*	*			trans	89.8	103.9	135.7	0	0	0	0	0	120.1
47	K	33.8	Very low	29.1	Very low	214 Å²	214	141.7 Å²	141.7	93%	0.93	83%	0.829	S	S	*	*			trans	-76.2	142.9	153.9	-82.5	-176.6	173.8	-179.4	0	110.5
48	K	28.8	Very low	29.2	Very low	214 Å²	214	141.6 Å²	141.6	93%	0.93	84%	0.835	S	S	*	*			trans	-158.5	142.4	135.2	-107.7	177.6	-178.3	-174.3	0	108.5
49	G	32.7	Very low	29.3	Very low	73 Å²	73	141.4 Å²	141.4	75%	0.753	83%	0.833	S	S	*	*			trans	-98.2	177.9	-171.6	0	0	0	0	0	114.6
50	P	32.9	Very low	29.3	Very low	138 Å²	138	135.5 Å²	135.5	90%	0.896	83%	0.833	S	S	*	*			trans	-91.9	163	175.9	37.2	-34	0	0	0	112.9
51	A	28.1	Very low	29.3	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	84%	0.836	S	S	*	*			trans	-142.2	141.6	173.6	0	0	0	0	0	112.4
52	E	33.4	Very low	29.6	Very low	166 Å²	166	139 Å²	139	78%	0.776	85%	0.85	S	S	*	*			trans	58.9	157.2	160.2	-57	-158.1	117.4	0	0	123.6
53	K	30.1	Very low	30.4	Very low	194 Å²	194	137.6 Å²	137.6	84%	0.843	84%	0.843	S	S	*	*			trans	81.7	135.9	159.9	-51.2	177.4	-173.1	164	0	117.1
54	G	28.1	Very low	31.6	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	85%	0.845	S	S	*	*			cis	150.9	149	-11.9	0	0	0	0	0	115.3
55	K	33.9	Very low	31.6	Very low	223 Å²	223	134.8 Å²	134.8	97%	0.97	85%	0.846	S	S	*	*			trans	77.8	150.9	-174.8	-53.5	177.8	177	-178.5	0	114.8
56	G	27.6	Very low	31.6	Very low	82 Å²	82	127.8 Å²	127.8	85%	0.845	83%	0.833	S	S	*	*			cis	145.7	151	-1.1	0	0	0	0	0	110.8
57	G	29.3	Very low	32.3	Very low	74 Å²	74	130.4 Å²	130.4	76%	0.763	84%	0.836	S	S	*	*			cis	-175.4	-139.7	6.8	0	0	0	0	0	112.1
58	N	28.2	Very low	32	Very low	182 Å²	182	127.1 Å²	127.1	97%	0.973	83%	0.829	S	S	*	*			trans	74	145.2	-177.5	-70.8	-1.9	0	0	0	118.3
59	G	29.1	Very low	31.9	Very low	77 Å²	77	129 Å²	129	79%	0.794	83%	0.83	S	S	*	*			cis	166.4	133	-14.2	0	0	0	0	0	116.9
60	G	28.5	Very low	31.8	Very low	89 Å²	89	132.9 Å²	132.9	92%	0.918	83%	0.83	S	S	*	*			trans	93	141.2	167.3	0	0	0	0	0	116.6
61	G	26.8	Very low	31.6	Very low	80 Å²	80	133.6 Å²	133.6	83%	0.825	83%	0.827	S	S	*	*			cis	-168	166.6	-5	0	0	0	0	0	113.5
62	K	35	Very low	31.6	Very low	206 Å²	206	132.4 Å²	132.4	90%	0.896	82%	0.823	S	S	*	*			trans	-138.7	162.8	175.7	-69.9	-174.3	174.6	-176.5	0	109.4
63	P	43.8	Very low	31.3	Very low	123 Å²	123	133.3 Å²	133.3	80%	0.799	83%	0.827	S	S	*	*				-157.2	-156.1	97.6	37.7	-14.7	0	0	0	114.1
64	P	51.4	Low	31.6	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	83%	0.828	S	S	*	*				-109.5	-166.1	-77.1	41.3	-27.2	0	0	0	110.5
65	S	29	Very low	31.6	Very low	120 Å²	120	137.7 Å²	137.7	84%	0.839	83%	0.832	S	S	*	*			cis	-138.7	-152.7	-1.3	68.4	0	0	0	0	107.5
66	G	27.4	Very low	31.5	Very low	63 Å²	63	136 Å²	136	65%	0.649	83%	0.827	S	S	*	*			cis	152.6	145.8	-0.4	0	0	0	0	0	108.7
67	P	40.7	Very low	31.6	Very low	134 Å²	134	138.5 Å²	138.5	87%	0.87	82%	0.821	S	S	*	*			cis	-123.3	178.7	10.9	43	-29.6	0	0	0	116.2
68	N	27.8	Very low	31.6	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	82%	0.822	S	S	*	*			trans	-60.1	156	-175.3	-62.4	-23.5	0	0	0	117.8
69	R	27	Very low	31.8	Very low	254 Å²	254	136 Å²	136	96%	0.958	81%	0.813	S	S	*	*				-137.5	154	122.2	-93.1	-173.8	178.7	179.2	-0.1	110.4
70	M	28.8	Very low	32	Very low	155 Å²	155	140.7 Å²	140.7	76%	0.764	81%	0.814	S	S	*	*			trans	-117.3	159.2	-176.5	-72.6	174	65.4	0	0	111.9
71	N	28.8	Very low	33	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	81%	0.81	S	S	*	*			trans	57.7	113.6	163.6	-70.7	6.9	0	0	0	119
72	G	28.7	Very low	34.6	Very low	68 Å²	68	145.2 Å²	145.2	70%	0.701	80%	0.796	S	S	*	*				97.5	84.8	103.4	0	0	0	0	0	117.8
73	H	27.2	Very low	36.6	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.856	78%	0.776	S	S	*	*			trans	-154.8	147.5	133.7	-110.1	-79.2	0	0	0	109.7	Q75	H73-Q75 PolarHBondContact O-N 3.43Å
74	H	36.2	Very low	38.8	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.856	75%	0.745	S	S	*	*			trans	-68.2	113.3	153.2	-88	13.4	0	0	0	107.2
75	Q	27.6	Very low	40.7	Very low	170 Å²	170	131 Å²	131	79%	0.794	71%	0.713	S	S	*	*			trans	-82.5	108.8	153.1	-83	-179.2	-43.4	0	0	107.2	H73 N77	H73-Q75 PolarHBondContact O-N 3.43Å; Q75-N77 VanDerWaalsContact C-N 3.29Å; Q75-N77 PolarHBondContact O-N 3.1Å
76	Q	32.6	Very low	43.7	Very low	187 Å²	187	129 Å²	129	87%	0.874	69%	0.69	S	S	*	*			trans	-65	97.9	154.8	-70.9	171.9	-54.3	0	0	106.3	G78	Q76-G78 PolarHBondContact O-N 2.91Å
77	N	30.5	Very low	46.7	Very low	135 Å²	135	127.9 Å²	127.9	72%	0.722	67%	0.671	S	S	*	*			trans	-65.9	121.3	160	-76.2	-3.4	0	0	0	106.4	Q75 V79	Q75-N77 VanDerWaalsContact C-N 3.29Å; Q75-N77 PolarHBondContact O-N 3.1Å; N77-V79 PolarHBondContact O-N 2.91Å; N77-V79 VanDerWaalsContact O-N 3.14Å
78	G	29.6	Very low	49.2	Very low	76 Å²	76	121.6 Å²	121.6	78%	0.784	63%	0.63	S	S	*	*			trans	-60.4	116.9	177.6	0	0	0	0	0	109.8	Q76 E80	Q76-G78 PolarHBondContact O-N 2.91Å; G78-E80 PolarHBondContact O-N 3.48Å
79	V	32.1	Very low	52.2	Low	127 Å²	127	118.7 Å²	118.7	77%	0.77	61%	0.611	S	S	*	*			trans	-81.2	106.6	161.4	178.8	0	0	0	0	105.3	N77	N77-V79 PolarHBondContact O-N 2.91Å; N77-V79 VanDerWaalsContact O-N 3.14Å
80	E	33.4	Very low	55	Low	176 Å²	176	110 Å²	110	82%	0.822	58%	0.581	S	S	*	*			trans	-64.2	133.4	160.2	-69.8	178.9	128.7	0	0	107.6	G78 M82	G78-E80 PolarHBondContact O-N 3.48Å; E80-M82 VanDerWaalsContact C-N 3.26Å; E80-M82 PolarHBondContact O-N 3.48Å
81	N	48.3	Very low	57.1	Low	155 Å²	155	103.4 Å²	103.4	83%	0.829	55%	0.554	S	S	*	*			trans	-69.6	86.2	175.3	-74.4	-0.5	0	0	0	108.7	M83	N81-M83 PolarHBondContact O-N 3.25Å
82	M	61.4	Low	59.5	Low	108 Å²	108	104.5 Å²	104.5	53%	0.532	55%	0.551	S	S	.	*			trans	-53.3	130.9	173.6	-84.1	-173	161	0	0	110.1	E80 E86 V87 M90	E80-M82 VanDerWaalsContact C-N 3.26Å; E80-M82 PolarHBondContact O-N 3.48Å; M82-E86 WeakPolarHBondContact CA-OE2 3.25Å; M82-V87 HydrophobicContact CB-CG2 4.16Å; M82-M90 HydrophobicContact CE-CE 3.62Å; M82-M90 HydrophobicContact CE-SD 4.42Å; M82-M90 HydrophobicContact SD-CE 4.34Å
83	M	76.9	Confident	62	Low	95 Å²	95	104.7 Å²	104.7	47%	0.468	54%	0.541	S	S	.	.			trans	-70.9	150.1	-178.4	-64.9	-173.2	178.2	0	0	110.3	N81 F85 E86 V87 Q123	N81-M83 PolarHBondContact O-N 3.25Å; M83-F85 PolarHBondContact O-N 2.65Å; M83-E86 HydrophobicContact CB-CG 4.41Å; M83-E86 PolarHBondContact N-OE2 3.31Å; M83-E86 WeakPolarHBondContact O-CA 3.33Å; M83-E86 WeakPolarHBondContact O-CB 3.48Å; M83-E86 PolarHBondContact O-N 3.13Å; M83-V87 PolarHBondContact O-N 3.49Å; M83-Q123 PolarHBondContact SD-NE2 3.2Å
84	L	89.3	Confident	65	Low	29 Å²	29	99 Å²	99	15%	0.152	53%	0.527	C	S	.	.	H	α-helix	trans	-53.7	-34.2	-177.2	-179.2	56.8	0	0	0	112.5	V87 V88 V98 F120 F178	L84-V87 PolarHBondContact O-N 3.34Å; L84-V88 HydrophobicContact CD1-CG2 4.32Å; L84-V88 WeakPolarHBondContact O-CG2 3.5Å; L84-V88 PolarHBondContact O-N 3.11Å; L84-V88 VanDerWaalsContact O-N 3.1Å; L84-V98 HydrophobicContact CD1-CG1 3.53Å; L84-F120 HydrophobicContact CB-CB 4.31Å; L84-F120 HydrophobicContact CB-CD2 4.14Å; L84-F120 HydrophobicContact CD2-CB 3.88Å; L84-F120 HydrophobicContact CD2-CD2 4.13Å; L84-F120 HydrophobicContact CD2-CG 3.93Å; L84-F120 HydrophobicContact CG-CB 4.19Å; L84-F120 HydrophobicContact CG-CD2 3.68Å; L84-F120 HydrophobicContact CG-CE2 4.22Å; L84-F120 HydrophobicContact CG-CG 4.01Å; L84-F178 HydrophobicContact CD1-CE2 4.05Å; L84-F178 HydrophobicContact CD1-CZ 4.19Å; L84-F178 HydrophobicContact CD2-CE1 4.3Å; L84-F178 HydrophobicContact CD2-CZ 3.82Å; L84-F178 HydrophobicContact CG-CZ 4.41Å
85	F	92.4	Very high	67.6	Low	31 Å²	31	91.7 Å²	91.7	14%	0.136	49%	0.493	C	S	.	.	H	α-helix	trans	-57.7	-46.1	172.1	168.5	-118.7	0	0	0	112.8	M83 V88 K89 F120 Q123 P160 F171	M83-F85 PolarHBondContact O-N 2.65Å; F85-V88 PolarHBondContact O-N 3.49Å; F85-K89 HydrophobicContact CE1-CD 4.12Å; F85-K89 HydrophobicContact CE2-CD 4.28Å; F85-K89 HydrophobicContact CZ-CD 3.82Å; F85-K89 WeakPolarHBondContact O-CB 3.31Å; F85-K89 PolarHBondContact O-N 3.06Å; F85-F120 HydrophobicContact CB-CD2 4.36Å; F85-Q123 HydrophobicContact CB-CB 3.88Å; F85-Q123 HydrophobicContact CD1-CB 4.09Å; F85-Q123 HydrophobicContact CD2-CB 4.38Å; F85-Q123 HydrophobicContact CG-CB 3.87Å; F85-P160 HydrophobicContact CE2-CG 4.38Å; F85-P160 HydrophobicContact CZ-CG 4.34Å; F85-F171 AromaticContact CD2-CE2 3.95Å; F85-F171 HydrophobicContact CD2-CE2 3.95Å; F85-F171 HydrophobicContact CD2-CZ 4.35Å; F85-F171 AromaticContact CE2-CE2 3.76Å; F85-F171 HydrophobicContact CE2-CE2 3.76Å; F85-F171 AromaticContact CE2-CZ 3.95Å; F85-F171 HydrophobicContact CE2-CZ 3.95Å
86	E	90.8	Very high	70.7	Confident	77 Å²	77	88.3 Å²	88.3	36%	0.36	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-41.1	-179	-56.4	-174.2	104.6	0	0	111.6	M82 M83 K89 M90	M82-E86 WeakPolarHBondContact CA-OE2 3.25Å; M83-E86 HydrophobicContact CB-CG 4.41Å; M83-E86 PolarHBondContact N-OE2 3.31Å; M83-E86 WeakPolarHBondContact O-CA 3.33Å; M83-E86 WeakPolarHBondContact O-CB 3.48Å; M83-E86 PolarHBondContact O-N 3.13Å; E86-K89 PolarHBondContact O-N 3.36Å; E86-M90 WeakPolarHBondContact O-CB 3.38Å; E86-M90 WeakPolarHBondContact O-CG 3.41Å; E86-M90 PolarHBondContact O-N 3.24Å
87	V	91.6	Very high	73.6	Confident	41 Å²	41	82.2 Å²	82.2	25%	0.248	46%	0.455	C	S	.	.	H	α-helix	trans	-59.5	-48.8	177.1	179.7	0	0	0	0	110.6	M82 M83 L84 G91 V98	M82-V87 HydrophobicContact CB-CG2 4.16Å; M83-V87 PolarHBondContact O-N 3.49Å; L84-V87 PolarHBondContact O-N 3.34Å; V87-G91 PolarHBondContact O-N 3.09Å; V87-V98 HydrophobicContact CG1-CG1 3.99Å; V87-V98 HydrophobicContact CG1-CG2 3.75Å
88	V	92.5	Very high	76.6	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.006	43%	0.425	C	S	.	.	H	α-helix	trans	-67.4	-40	177.8	173.7	0	0	0	0	111.7	L84 F85 G91 M95 F120 S174 F178	L84-V88 HydrophobicContact CD1-CG2 4.32Å; L84-V88 WeakPolarHBondContact O-CG2 3.5Å; L84-V88 PolarHBondContact O-N 3.11Å; L84-V88 VanDerWaalsContact O-N 3.1Å; F85-V88 PolarHBondContact O-N 3.49Å; V88-G91 PolarHBondContact O-N 3.46Å; V88-M95 HydrophobicContact CG1-CE 4.4Å; V88-M95 HydrophobicContact CG2-SD 4.23Å; V88-F120 HydrophobicContact CB-CE2 3.97Å; V88-F120 HydrophobicContact CG1-CE2 4.23Å; V88-F120 HydrophobicContact CG1-CZ 4.37Å; V88-F120 HydrophobicContact CG2-CE2 3.76Å; V88-F120 HydrophobicContact CG2-CZ 4.17Å; V88-S174 WeakPolarHBondContact O-CB 3.36Å; V88-F178 HydrophobicContact CG2-CB 4.44Å; V88-F178 HydrophobicContact CG2-CD2 4.19Å; V88-F178 HydrophobicContact CG2-CG 4.29Å
89	K	90.4	Very high	79.8	Confident	85 Å²	85	72.8 Å²	72.8	37%	0.37	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.7	-179.7	-179.5	176.1	-177.6	0	113.2	F85 E86 W168 F171	F85-K89 HydrophobicContact CE1-CD 4.12Å; F85-K89 HydrophobicContact CE2-CD 4.28Å; F85-K89 HydrophobicContact CZ-CD 3.82Å; F85-K89 WeakPolarHBondContact O-CB 3.31Å; F85-K89 PolarHBondContact O-N 3.06Å; E86-K89 PolarHBondContact O-N 3.36Å; K89-W168 HydrophobicContact CD-CH2 4.27Å; K89-W168 HydrophobicContact CD-CZ3 4.11Å; K89-W168 HydrophobicContact CG-CZ3 4.49Å; K89-F171 HydrophobicContact CB-CD2 3.97Å; K89-F171 HydrophobicContact CG-CD2 4.39Å
90	M	85.3	Confident	82.8	Confident	70 Å²	70	69.8 Å²	69.8	35%	0.345	37%	0.367	S	S	.	.	H	α-helix	trans	-70.8	-37.8	173.5	-66.5	-162.7	-158	0	0	111.2	M82 E86 K92 K170	M82-M90 HydrophobicContact CE-CE 3.62Å; M82-M90 HydrophobicContact CE-SD 4.42Å; M82-M90 HydrophobicContact SD-CE 4.34Å; E86-M90 WeakPolarHBondContact O-CB 3.38Å; E86-M90 WeakPolarHBondContact O-CG 3.41Å; E86-M90 PolarHBondContact O-N 3.24Å; M90-K92 VanDerWaalsContact C-N 3.31Å; M90-K92 HydrophobicContact CB-CD 4.3Å; M90-K92 HydrophobicContact CB-CG 4.24Å; M90-K92 PolarHBondContact O-N 3.23Å; M90-K92 HydrophobicContact SD-CD 4.47Å; M90-K92 PolarHBondContact SD-NZ 2.98Å; M90-K170 PolarHBondContact O-NZ 3.02Å
91	G	74.4	Confident	85.7	Confident	18 Å²	18	66.6 Å²	66.6	19%	0.186	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	45.2	176.5	0	0	0	0	0	112.5	V87 V88 K170	V87-G91 PolarHBondContact O-N 3.09Å; V88-G91 PolarHBondContact O-N 3.46Å; G91-K170 PolarHBondContact O-NZ 3.29Å
92	K	79.5	Confident	88	Confident	176 Å²	176	60 Å²	60	77%	0.765	32%	0.319	S	S	*	.			trans	-91	-25.1	178.5	-70	172.6	-179.6	164.9	0	112.6	M90	M90-K92 VanDerWaalsContact C-N 3.31Å; M90-K92 HydrophobicContact CB-CD 4.3Å; M90-K92 HydrophobicContact CB-CG 4.24Å; M90-K92 PolarHBondContact O-N 3.23Å; M90-K92 HydrophobicContact SD-CD 4.47Å; M90-K92 PolarHBondContact SD-NZ 2.98Å
93	S	81.1	Confident	89.6	Confident	71 Å²	71	55.3 Å²	55.3	50%	0.497	30%	0.297	S	S	.	.	S	Bend	trans	-93.9	158.4	178.9	-54.3	0	0	0	0	111.4
94	A	88.3	Confident	90.5	Very high	67 Å²	67	57.5 Å²	57.5	55%	0.554	31%	0.306	S	S	*	.			trans	-66.4	132.5	166.3	0	0	0	0	0	109.5	Q96 S97 V98	A94-Q96 VanDerWaalsContact C-N 3.25Å; A94-Q96 PolarHBondContact O-N 3.12Å; A94-S97 WeakPolarHBondContact O-CB 3.36Å; A94-S97 PolarHBondContact O-N 2.88Å; A94-V98 PolarHBondContact O-N 3.01Å
95	M	92.4	Very high	90.8	Very high	30 Å²	30	58.3 Å²	58.3	15%	0.148	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-34.6	-171.9	-161.8	58.2	65.4	0	0	112.8	V88 S97 V98 V99 S174 E177 F178	V88-M95 HydrophobicContact CG1-CE 4.4Å; V88-M95 HydrophobicContact CG2-SD 4.23Å; M95-S97 VanDerWaalsContact C-N 3.31Å; M95-S97 PolarHBondContact O-N 3.34Å; M95-V98 PolarHBondContact O-N 3.02Å; M95-V99 PolarHBondContact O-N 2.54Å; M95-V99 VanDerWaalsContact O-N 3.09Å; M95-S174 WeakPolarHBondContact CE-O 3.45Å; M95-E177 HydrophobicContact CB-CG 4.43Å; M95-E177 HydrophobicContact CG-CG 4.35Å; M95-F178 HydrophobicContact CG-CB 4.13Å; M95-F178 HydrophobicContact CG-CD2 4.47Å; M95-F178 HydrophobicContact SD-CB 3.7Å; M95-F178 HydrophobicContact SD-CD2 3.84Å; M95-F178 HydrophobicContact SD-CG 4.26Å
96	Q	92.9	Very high	91	Very high	100 Å²	100	57 Å²	57	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-34.7	175.1	-174.7	170	13.7	0	0	113	A94 V99 D100 V181	A94-Q96 VanDerWaalsContact C-N 3.25Å; A94-Q96 PolarHBondContact O-N 3.12Å; Q96-V99 PolarHBondContact O-N 3.07Å; Q96-D100 WeakPolarHBondContact O-CB 3.31Å; Q96-D100 VanDerWaalsContact O-CG 3.25Å; Q96-D100 PolarHBondContact O-N 2.85Å; Q96-V181 HydrophobicContact CB-CG1 4.11Å; Q96-V181 HydrophobicContact CG-CG1 4.33Å
97	S	93.3	Very high	91.1	Very high	58 Å²	58	60.3 Å²	60.3	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-46.5	175.9	-55.1	0	0	0	0	111.2	A94 M95 V99 D100 D101	A94-S97 WeakPolarHBondContact O-CB 3.36Å; A94-S97 PolarHBondContact O-N 2.88Å; M95-S97 VanDerWaalsContact C-N 3.31Å; M95-S97 PolarHBondContact O-N 3.34Å; S97-V99 PolarHBondContact O-N 3.09Å; S97-D100 PolarHBondContact O-N 2.97Å; S97-D100 VanDerWaalsContact O-N 3.13Å; S97-D101 WeakPolarHBondContact O-CB 3.47Å; S97-D101 PolarHBondContact O-N 3.38Å
98	V	94.1	Very high	91.3	Very high	14 Å²	14	66.8 Å²	66.8	9%	0.085	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-36	177.8	-172.2	0	0	0	0	111.5	L84 V87 A94 M95 W102 F178	L84-V98 HydrophobicContact CD1-CG1 3.53Å; V87-V98 HydrophobicContact CG1-CG1 3.99Å; V87-V98 HydrophobicContact CG1-CG2 3.75Å; A94-V98 PolarHBondContact O-N 3.01Å; M95-V98 PolarHBondContact O-N 3.02Å; V98-W102 WeakPolarHBondContact O-CB 3.41Å; V98-W102 PolarHBondContact O-N 3.22Å; V98-W102 VanDerWaalsContact O-N 3.14Å; V98-F178 HydrophobicContact CG1-CE2 4.24Å
99	V	95.9	Very high	91.4	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-69.7	-45.3	173.6	163.6	0	0	0	0	112.1	M95 Q96 S97 W102 I103 F178 V181 L182 Q185	M95-V99 PolarHBondContact O-N 2.54Å; M95-V99 VanDerWaalsContact O-N 3.09Å; Q96-V99 PolarHBondContact O-N 3.07Å; S97-V99 PolarHBondContact O-N 3.09Å; V99-W102 PolarHBondContact O-N 2.85Å; V99-I103 HydrophobicContact CG1-CD1 3.67Å; V99-I103 HydrophobicContact CG1-CG1 4.38Å; V99-I103 VanDerWaalsContact O-CB 3.31Å; V99-I103 WeakPolarHBondContact O-CB 3.29Å; V99-I103 VanDerWaalsContact O-CG1 3.26Å; V99-I103 WeakPolarHBondContact O-CG1 3.04Å; V99-I103 PolarHBondContact O-N 3.33Å; V99-F178 HydrophobicContact CG2-CD2 3.72Å; V99-F178 HydrophobicContact CG2-CE2 3.67Å; V99-V181 HydrophobicContact CB-CG1 4.15Å; V99-V181 HydrophobicContact CG1-CG1 4.19Å; V99-V181 HydrophobicContact CG2-CB 4.2Å; V99-V181 HydrophobicContact CG2-CG1 4.01Å; V99-L182 HydrophobicContact CG1-CB 4.37Å; V99-L182 HydrophobicContact CG1-CD1 4.17Å; V99-L182 HydrophobicContact CG2-CB 4.11Å; V99-Q185 HydrophobicContact CG1-CB 3.85Å; V99-Q185 HydrophobicContact CG1-CG 3.8Å
100	D	94.5	Very high	91.6	Very high	64 Å²	64	70.8 Å²	70.8	34%	0.342	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-38.1	-179.5	-72.9	-21.5	0	0	0	111.3	Q96 S97 I103 E104 Q185	Q96-D100 WeakPolarHBondContact O-CB 3.31Å; Q96-D100 VanDerWaalsContact O-CG 3.25Å; Q96-D100 PolarHBondContact O-N 2.85Å; S97-D100 PolarHBondContact O-N 2.97Å; S97-D100 VanDerWaalsContact O-N 3.13Å; D100-I103 PolarHBondContact O-N 3.02Å; D100-E104 PolarHBondContact O-N 3.44Å; D100-Q185 PolarHBondContact OD1-NE2 3.09Å
101	D	94.3	Very high	92	Very high	109 Å²	109	69.6 Å²	69.6	58%	0.583	36%	0.36	S	S	*	.	H	α-helix	trans	-61.5	-46.6	172.4	-64.3	-27.5	0	0	0	111.1	S97 I103 E104 S105	S97-D101 WeakPolarHBondContact O-CB 3.47Å; S97-D101 PolarHBondContact O-N 3.38Å; D101-I103 VanDerWaalsContact C-N 3.34Å; D101-I103 PolarHBondContact O-N 3.1Å; D101-E104 PolarHBondContact O-N 3.32Å; D101-S105 PolarHBondContact O-N 2.99Å
102	W	96.1	Very high	92.9	Very high	15 Å²	15	72.9 Å²	72.9	6%	0.057	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-38.6	175.1	-176.5	89.8	0	0	0	112	V98 V99 E104 S105 Y106 A113 L114 L117 L182 M196	V98-W102 WeakPolarHBondContact O-CB 3.41Å; V98-W102 PolarHBondContact O-N 3.22Å; V98-W102 VanDerWaalsContact O-N 3.14Å; V99-W102 PolarHBondContact O-N 2.85Å; W102-E104 VanDerWaalsContact C-N 3.3Å; W102-E104 PolarHBondContact O-N 2.98Å; W102-S105 WeakPolarHBondContact O-CB 3.38Å; W102-S105 PolarHBondContact O-N 3.1Å; W102-Y106 AromaticContact CH2-CD2 3.85Å; W102-Y106 HydrophobicContact CH2-CD2 3.85Å; W102-Y106 HydrophobicContact CH2-CG 4Å; W102-Y106 HydrophobicContact CZ2-CD2 4.27Å; W102-Y106 HydrophobicContact CZ3-CG 4.21Å; W102-Y106 PolarHBondContact O-N 3.16Å; W102-A113 HydrophobicContact CZ2-CB 4.15Å; W102-A113 WeakPolarHBondContact CZ2-O 3.49Å; W102-A113 PolarHBondContact NE1-O 3.43Å; W102-L114 HydrophobicContact CH2-CD2 4.46Å; W102-L114 HydrophobicContact CZ2-CD2 4.34Å; W102-L117 HydrophobicContact CH2-CD2 4.04Å; W102-L117 HydrophobicContact CZ2-CB 3.97Å; W102-L117 HydrophobicContact CZ2-CD2 3.65Å; W102-L117 HydrophobicContact CZ2-CG 4.38Å; W102-L182 HydrophobicContact CD2-CD1 4.41Å; W102-L182 HydrophobicContact CE3-CD1 3.52Å; W102-L182 HydrophobicContact CZ3-CD1 3.68Å; W102-M196 HydrophobicContact CH2-CE 3.68Å; W102-M196 HydrophobicContact CH2-CG 4.06Å; W102-M196 HydrophobicContact CZ3-CE 3.82Å
103	I	96.2	Very high	93.5	Very high	11 Å²	11	64.5 Å²	64.5	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-67.3	-28.4	175.8	-78	174	0	0	0	111.9	V99 D100 D101 K107 L182 Q185 I190	V99-I103 HydrophobicContact CG1-CD1 3.67Å; V99-I103 HydrophobicContact CG1-CG1 4.38Å; V99-I103 VanDerWaalsContact O-CB 3.31Å; V99-I103 WeakPolarHBondContact O-CB 3.29Å; V99-I103 VanDerWaalsContact O-CG1 3.26Å; V99-I103 WeakPolarHBondContact O-CG1 3.04Å; V99-I103 PolarHBondContact O-N 3.33Å; D100-I103 PolarHBondContact O-N 3.02Å; D101-I103 VanDerWaalsContact C-N 3.34Å; D101-I103 PolarHBondContact O-N 3.1Å; I103-K107 VanDerWaalsContact O-CD 3.28Å; I103-K107 WeakPolarHBondContact O-CD 3.34Å; I103-K107 WeakPolarHBondContact O-CE 3.42Å; I103-K107 VanDerWaalsContact O-CG 3.25Å; I103-K107 WeakPolarHBondContact O-CG 3.47Å; I103-K107 PolarHBondContact O-N 3.04Å; I103-L182 HydrophobicContact CD1-CD1 4.39Å; I103-L182 HydrophobicContact CG1-CD1 4.26Å; I103-Q185 HydrophobicContact CD1-CB 3.46Å; I103-Q185 VanDerWaalsContact CD1-CB 3.46Å; I103-I190 HydrophobicContact CG2-CD1 3.97Å
104	E	95.6	Very high	94.2	Very high	141 Å²	141	61.1 Å²	61.1	66%	0.659	31%	0.312	S	S	*	.	H	α-helix	trans	-73.9	-41.2	169.8	-173.4	156.6	-158.5	0	0	111.4	D100 D101 W102 Y106 K107 H108	D100-E104 PolarHBondContact O-N 3.44Å; D101-E104 PolarHBondContact O-N 3.32Å; W102-E104 VanDerWaalsContact C-N 3.3Å; W102-E104 PolarHBondContact O-N 2.98Å; E104-Y106 PolarHBondContact O-N 3.31Å; E104-K107 PolarHBondContact O-N 3.46Å; E104-H108 PolarHBondContact O-N 3.15Å
105	S	94.9	Very high	94.5	Very high	45 Å²	45	59 Å²	59	32%	0.315	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-49.1	171.9	-168.1	0	0	0	0	112.1	D101 W102 K107 H108 D109	D101-S105 PolarHBondContact O-N 2.99Å; W102-S105 WeakPolarHBondContact O-CB 3.38Å; W102-S105 PolarHBondContact O-N 3.1Å; S105-K107 PolarHBondContact O-N 3.36Å; S105-H108 WeakPolarHBondContact O-CA 3.43Å; S105-H108 WeakPolarHBondContact O-CB 3.44Å; S105-H108 PolarHBondContact O-N 3.26Å; S105-D109 PolarHBondContact O-N 3.46Å
106	Y	96.6	Very high	94.6	Very high	3 Å²	3	61.4 Å²	61.4	1%	0.012	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-25.7	179.3	-176.5	-96.8	0	0	0	114.1	W102 E104 H108 R110 A113 L114 I190 D193 M196	W102-Y106 AromaticContact CH2-CD2 3.85Å; W102-Y106 HydrophobicContact CH2-CD2 3.85Å; W102-Y106 HydrophobicContact CH2-CG 4Å; W102-Y106 HydrophobicContact CZ2-CD2 4.27Å; W102-Y106 HydrophobicContact CZ3-CG 4.21Å; W102-Y106 PolarHBondContact O-N 3.16Å; E104-Y106 PolarHBondContact O-N 3.31Å; Y106-H108 VanDerWaalsContact C-N 3.34Å; Y106-R110 HydrophobicContact CD2-CB 4.21Å; Y106-R110 HydrophobicContact CD2-CG 4.18Å; Y106-R110 HydrophobicContact CE1-CG 4.11Å; Y106-R110 HydrophobicContact CE2-CB 3.72Å; Y106-R110 HydrophobicContact CE2-CG 3.69Å; Y106-R110 WeakPolarHBondContact O-CG 3.44Å; Y106-R110 PolarHBondContact OH-NE 3.33Å; Y106-A113 HydrophobicContact CD2-CB 4.07Å; Y106-A113 HydrophobicContact CG-CB 4.44Å; Y106-L114 HydrophobicContact CD2-CG 4.29Å; Y106-L114 HydrophobicContact CE2-CD1 4.1Å; Y106-L114 HydrophobicContact CE2-CD2 4.32Å; Y106-L114 HydrophobicContact CE2-CG 3.9Å; Y106-I190 HydrophobicContact CD1-CD1 3.99Å; Y106-I190 HydrophobicContact CD1-CG1 4.21Å; Y106-I190 HydrophobicContact CD1-CG2 3.92Å; Y106-I190 HydrophobicContact CE1-CG1 4.23Å; Y106-I190 HydrophobicContact CE1-CG2 3.59Å; Y106-D193 VanDerWaalsContact CE1-OD2 3.23Å; Y106-D193 WeakPolarHBondContact CE1-OD2 3.26Å; Y106-D193 PolarHBondContact OH-OD1 3.42Å; Y106-D193 PolarHBondContact OH-OD2 3.39Å; Y106-M196 HydrophobicContact CE1-CB 4.43Å; Y106-M196 HydrophobicContact CE2-CB 4.27Å; Y106-M196 HydrophobicContact CE2-CG 4.36Å
107	K	94.3	Very high	94.7	Very high	147 Å²	147	56.7 Å²	56.7	64%	0.639	28%	0.283	S	S	*	.	H	α-helix	trans	-79	-18.1	172.2	-69.4	163.5	-166.5	159.6	0	113	I103 E104 S105	I103-K107 VanDerWaalsContact O-CD 3.28Å; I103-K107 WeakPolarHBondContact O-CD 3.34Å; I103-K107 WeakPolarHBondContact O-CE 3.42Å; I103-K107 VanDerWaalsContact O-CG 3.25Å; I103-K107 WeakPolarHBondContact O-CG 3.47Å; I103-K107 PolarHBondContact O-N 3.04Å; E104-K107 PolarHBondContact O-N 3.46Å; S105-K107 PolarHBondContact O-N 3.36Å
108	H	95.6	Very high	94.8	Very high	177 Å²	177	54.2 Å²	54.2	82%	0.819	27%	0.265	S	S	*	.	H	α-helix	trans	-90	-52.3	176.8	-171	65	0	0	0	111.4	E104 S105 Y106	E104-H108 PolarHBondContact O-N 3.15Å; S105-H108 WeakPolarHBondContact O-CA 3.43Å; S105-H108 WeakPolarHBondContact O-CB 3.44Å; S105-H108 PolarHBondContact O-N 3.26Å; Y106-H108 VanDerWaalsContact C-N 3.34Å
109	D	94.8	Very high	94.9	Very high	59 Å²	59	54.1 Å²	54.1	32%	0.316	27%	0.265	S	S	.	.			trans	-143.8	119.1	174.9	-168.8	-47.2	0	0	0	110.1	S105 D111 I112 A113	S105-D109 PolarHBondContact O-N 3.46Å; D109-D111 WeakPolarHBondContact OD1-CB 3.45Å; D109-D111 PolarHBondContact OD1-N 2.93Å; D109-I112 HydrophobicContact CB-CB 4.23Å; D109-I112 HydrophobicContact CB-CD1 4.06Å; D109-I112 HydrophobicContact CB-CG1 4.24Å; D109-I112 PolarHBondContact OD1-N 2.93Å; D109-I112 VanDerWaalsContact OD1-N 3.09Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.26Å; D109-A113 WeakPolarHBondContact O-CB 3.31Å; D109-A113 PolarHBondContact O-N 2.89Å
110	R	94.6	Very high	95	Very high	112 Å²	112	54.2 Å²	54.2	42%	0.423	27%	0.265	S	S	.	.	H	α-helix	trans	-75.6	-37.7	-178.1	-66.2	-178	165.4	-165.6	-8.5	112.8	Y106 L114 D193 Y195	Y106-R110 HydrophobicContact CD2-CB 4.21Å; Y106-R110 HydrophobicContact CD2-CG 4.18Å; Y106-R110 HydrophobicContact CE1-CG 4.11Å; Y106-R110 HydrophobicContact CE2-CB 3.72Å; Y106-R110 HydrophobicContact CE2-CG 3.69Å; Y106-R110 WeakPolarHBondContact O-CG 3.44Å; Y106-R110 PolarHBondContact OH-NE 3.33Å; R110-L114 WeakPolarHBondContact O-CB 3.47Å; R110-L114 WeakPolarHBondContact O-CG 3.43Å; R110-L114 PolarHBondContact O-N 2.65Å; R110-L114 VanDerWaalsContact O-N 3.09Å; R110-D193 IonicContact CZ-OD2 3.67Å; R110-D193 IonicContact NE-OD2 3.51Å; R110-D193 IonicContact NH1-OD2 3.42Å; R110-D193 IonicContact NH2-OD2 2.93Å; R110-D193 PolarHBondContact NH2-OD2 3.39Å; R110-Y195 HydrophobicContact CB-CD1 4.28Å; R110-Y195 HydrophobicContact CB-CE1 3.96Å
111	D	92.8	Very high	95.1	Very high	44 Å²	44	51.5 Å²	51.5	24%	0.235	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-47.9	-179.2	-82.3	22.3	0	0	0	109.3	D109 L115 F136 R137	D109-D111 WeakPolarHBondContact OD1-CB 3.45Å; D109-D111 PolarHBondContact OD1-N 2.93Å; D111-L115 WeakPolarHBondContact O-CB 3.5Å; D111-L115 PolarHBondContact O-N 3.3Å; D111-F136 HydrophobicContact CB-CE1 4.43Å; D111-R137 IonicContact OD2-CZ 3.65Å; D111-R137 VanDerWaalsContact OD2-CZ 3.29Å; D111-R137 IonicContact OD2-NE 3.69Å; D111-R137 PolarHBondContact OD2-NE 3.11Å; D111-R137 IonicContact OD2-NH2 2.81Å; D111-R137 PolarHBondContact OD2-NH2 3.43Å
112	I	92.6	Very high	95.2	Very high	87 Å²	87	46.3 Å²	46.3	45%	0.446	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-48.3	-175.5	-61.2	175.9	0	0	0	110.6	D109 L114 L115 D116	D109-I112 HydrophobicContact CB-CB 4.23Å; D109-I112 HydrophobicContact CB-CD1 4.06Å; D109-I112 HydrophobicContact CB-CG1 4.24Å; D109-I112 PolarHBondContact OD1-N 2.93Å; D109-I112 VanDerWaalsContact OD1-N 3.09Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.26Å; I112-L114 VanDerWaalsContact C-N 3.33Å; I112-L114 PolarHBondContact O-N 2.88Å; I112-L115 WeakPolarHBondContact O-CB 3.29Å; I112-L115 PolarHBondContact O-N 2.81Å; I112-L115 VanDerWaalsContact O-N 3.14Å; I112-D116 PolarHBondContact O-N 2.99Å
113	A	93.9	Very high	95.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-34.8	-179.3	0	0	0	0	0	112.9	W102 Y106 D109 L117	W102-A113 HydrophobicContact CZ2-CB 4.15Å; W102-A113 WeakPolarHBondContact CZ2-O 3.49Å; W102-A113 PolarHBondContact NE1-O 3.43Å; Y106-A113 HydrophobicContact CD2-CB 4.07Å; Y106-A113 HydrophobicContact CG-CB 4.44Å; D109-A113 WeakPolarHBondContact O-CB 3.31Å; D109-A113 PolarHBondContact O-N 2.89Å; A113-L117 PolarHBondContact O-N 2.83Å
114	L	94.8	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.1	-38.7	171.5	-74.3	175.4	0	0	0	112.2	W102 Y106 R110 I112 D116 L117 I118 F136 Y195 M196 T199	W102-L114 HydrophobicContact CH2-CD2 4.46Å; W102-L114 HydrophobicContact CZ2-CD2 4.34Å; Y106-L114 HydrophobicContact CD2-CG 4.29Å; Y106-L114 HydrophobicContact CE2-CD1 4.1Å; Y106-L114 HydrophobicContact CE2-CD2 4.32Å; Y106-L114 HydrophobicContact CE2-CG 3.9Å; R110-L114 WeakPolarHBondContact O-CB 3.47Å; R110-L114 WeakPolarHBondContact O-CG 3.43Å; R110-L114 PolarHBondContact O-N 2.65Å; R110-L114 VanDerWaalsContact O-N 3.09Å; I112-L114 VanDerWaalsContact C-N 3.33Å; I112-L114 PolarHBondContact O-N 2.88Å; L114-D116 VanDerWaalsContact C-N 3.29Å; L114-D116 PolarHBondContact O-N 3.5Å; L114-L117 HydrophobicContact CD2-CD2 4.46Å; L114-L117 CarbonylContact O-C 3.43Å; L114-L117 PolarHBondContact O-N 3.05Å; L114-L117 VanDerWaalsContact O-N 3.1Å; L114-I118 WeakPolarHBondContact O-CB 3.14Å; L114-I118 VanDerWaalsContact O-CG1 3.22Å; L114-I118 WeakPolarHBondContact O-CG1 3.49Å; L114-I118 PolarHBondContact O-N 3.1Å; L114-F136 HydrophobicContact CB-CZ 4.17Å; L114-F136 HydrophobicContact CD1-CZ 4.39Å; L114-Y195 HydrophobicContact CD1-CD1 3.68Å; L114-Y195 HydrophobicContact CD1-CE1 3.31Å; L114-M196 HydrophobicContact CD2-CG 4.25Å; L114-T199 HydrophobicContact CD1-CG2 4.23Å
115	L	94.8	Very high	95.3	Very high	24 Å²	24	39.2 Å²	39.2	13%	0.126	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-40.7	175.3	-173.4	66.3	0	0	0	111.9	D111 I112 I118 N119 V131 A133 F136	D111-L115 WeakPolarHBondContact O-CB 3.5Å; D111-L115 PolarHBondContact O-N 3.3Å; I112-L115 WeakPolarHBondContact O-CB 3.29Å; I112-L115 PolarHBondContact O-N 2.81Å; I112-L115 VanDerWaalsContact O-N 3.14Å; L115-I118 PolarHBondContact O-N 3.04Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 3.13Å; L115-N119 PolarHBondContact O-ND2 3.05Å; L115-V131 HydrophobicContact CD1-CB 4.29Å; L115-V131 HydrophobicContact CD1-CG1 3.95Å; L115-V131 WeakPolarHBondContact CD1-O 3.43Å; L115-A133 HydrophobicContact CD2-CB 3.91Å; L115-F136 HydrophobicContact CD1-CB 3.9Å; L115-F136 HydrophobicContact CD1-CG 4.4Å
116	D	94.2	Very high	95.3	Very high	79 Å²	79	38.2 Å²	38.2	42%	0.422	19%	0.187	S	C	.	.	H	α-helix	trans	-64.6	-38.8	173.9	-72.6	-22.7	0	0	0	112	I112 L114 F120	I112-D116 PolarHBondContact O-N 2.99Å; L114-D116 VanDerWaalsContact C-N 3.29Å; L114-D116 PolarHBondContact O-N 3.5Å; D116-F120 WeakPolarHBondContact O-CB 3.41Å; D116-F120 PolarHBondContact O-N 2.75Å
117	L	95.8	Very high	95.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-71.5	-36	178	-174.2	61.1	0	0	0	112.6	W102 A113 L114 F120 F121 F178 L182 M196 V200	W102-L117 HydrophobicContact CH2-CD2 4.04Å; W102-L117 HydrophobicContact CZ2-CB 3.97Å; W102-L117 HydrophobicContact CZ2-CD2 3.65Å; W102-L117 HydrophobicContact CZ2-CG 4.38Å; A113-L117 PolarHBondContact O-N 2.83Å; L114-L117 HydrophobicContact CD2-CD2 4.46Å; L114-L117 CarbonylContact O-C 3.43Å; L114-L117 PolarHBondContact O-N 3.05Å; L114-L117 VanDerWaalsContact O-N 3.1Å; L117-F120 HydrophobicContact CD1-CD1 4.09Å; L117-F120 WeakPolarHBondContact O-CB 3.17Å; L117-F120 PolarHBondContact O-N 2.72Å; L117-F121 HydrophobicContact CD1-CE2 3.88Å; L117-F121 HydrophobicContact CD1-CZ 4.25Å; L117-F121 HydrophobicContact CD2-CE2 4.49Å; L117-F121 HydrophobicContact CG-CD2 4.4Å; L117-F121 HydrophobicContact CG-CE2 3.85Å; L117-F121 WeakPolarHBondContact O-CD2 3.29Å; L117-F121 PolarHBondContact O-N 3.1Å; L117-F178 HydrophobicContact CD1-CE1 3.86Å; L117-F178 HydrophobicContact CD1-CZ 4.37Å; L117-L182 HydrophobicContact CD1-CD2 4.17Å; L117-L182 HydrophobicContact CD2-CD2 4.1Å; L117-M196 HydrophobicContact CD2-CE 4.15Å; L117-V200 HydrophobicContact CD2-CG2 3.62Å; L117-V200 HydrophobicContact CG-CG2 4.42Å
118	I	95.5	Very high	95.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-51.5	171.9	-68.8	164.4	0	0	0	109.4	L114 L115 F120 F121 I122 V131 F136 T199 L203	L114-I118 WeakPolarHBondContact O-CB 3.14Å; L114-I118 VanDerWaalsContact O-CG1 3.22Å; L114-I118 WeakPolarHBondContact O-CG1 3.49Å; L114-I118 PolarHBondContact O-N 3.1Å; L115-I118 PolarHBondContact O-N 3.04Å; I118-F120 VanDerWaalsContact C-N 3.29Å; I118-F120 PolarHBondContact O-N 3.22Å; I118-F121 PolarHBondContact O-N 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.41Å; I118-I122 PolarHBondContact O-N 3.29Å; I118-I122 VanDerWaalsContact O-N 3.17Å; I118-V131 HydrophobicContact CG2-CB 4.23Å; I118-V131 HydrophobicContact CG2-CG1 4.29Å; I118-V131 HydrophobicContact CG2-CG2 3.97Å; I118-F136 HydrophobicContact CD1-CD2 3.43Å; I118-F136 VanDerWaalsContact CD1-CD2 3.43Å; I118-F136 HydrophobicContact CD1-CE2 3.41Å; I118-F136 VanDerWaalsContact CD1-CE2 3.41Å; I118-F136 HydrophobicContact CD1-CG 4.29Å; I118-F136 HydrophobicContact CD1-CZ 4.25Å; I118-T199 HydrophobicContact CD1-CG2 4.14Å; I118-L203 HydrophobicContact CB-CD2 4.19Å; I118-L203 HydrophobicContact CG1-CD2 4.08Å; I118-L203 HydrophobicContact CG2-CD1 4.42Å; I118-L203 HydrophobicContact CG2-CD2 3.95Å
119	N	95.3	Very high	95	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-37.6	177.7	-82.4	-68.8	0	0	0	112.2	L115 F121 I122 Q123 V130 V131	L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 3.13Å; L115-N119 PolarHBondContact O-ND2 3.05Å; N119-F121 PolarHBondContact O-N 3.03Å; N119-I122 PolarHBondContact O-N 3.09Å; N119-Q123 WeakPolarHBondContact O-CB 3.48Å; N119-Q123 VanDerWaalsContact O-CG 3.25Å; N119-Q123 WeakPolarHBondContact O-CG 3.48Å; N119-Q123 PolarHBondContact O-N 3.22Å; N119-V130 WeakPolarHBondContact OD1-CA 3.31Å; N119-V130 WeakPolarHBondContact OD1-CG1 3.25Å; N119-V131 PolarHBondContact ND2-O 3.04Å; N119-V131 PolarHBondContact OD1-N 3.14Å
120	F	97.3	Very high	95	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-56.2	-47	173.4	168.5	-104.2	0	0	0	112.8	L84 F85 V88 D116 L117 I118 Q123 C124 F175 F178	L84-F120 HydrophobicContact CB-CB 4.31Å; L84-F120 HydrophobicContact CB-CD2 4.14Å; L84-F120 HydrophobicContact CD2-CB 3.88Å; L84-F120 HydrophobicContact CD2-CD2 4.13Å; L84-F120 HydrophobicContact CD2-CG 3.93Å; L84-F120 HydrophobicContact CG-CB 4.19Å; L84-F120 HydrophobicContact CG-CD2 3.68Å; L84-F120 HydrophobicContact CG-CE2 4.22Å; L84-F120 HydrophobicContact CG-CG 4.01Å; F85-F120 HydrophobicContact CB-CD2 4.36Å; V88-F120 HydrophobicContact CB-CE2 3.97Å; V88-F120 HydrophobicContact CG1-CE2 4.23Å; V88-F120 HydrophobicContact CG1-CZ 4.37Å; V88-F120 HydrophobicContact CG2-CE2 3.76Å; V88-F120 HydrophobicContact CG2-CZ 4.17Å; D116-F120 WeakPolarHBondContact O-CB 3.41Å; D116-F120 PolarHBondContact O-N 2.75Å; L117-F120 HydrophobicContact CD1-CD1 4.09Å; L117-F120 WeakPolarHBondContact O-CB 3.17Å; L117-F120 PolarHBondContact O-N 2.72Å; I118-F120 VanDerWaalsContact C-N 3.29Å; I118-F120 PolarHBondContact O-N 3.22Å; F120-Q123 PolarHBondContact O-N 3.09Å; F120-C124 WeakPolarHBondContact CE2-SG 3.31Å; F120-C124 VanDerWaalsContact O-CB 3.27Å; F120-C124 WeakPolarHBondContact O-CB 3.48Å; F120-C124 PolarHBondContact O-N 2.95Å; F120-C124 PolarHBondContact O-SG 3.01Å; F120-F175 AromaticContact CE1-CD2 3.94Å; F120-F175 HydrophobicContact CE1-CD2 3.94Å; F120-F175 AromaticContact CE1-CE2 3.83Å; F120-F175 HydrophobicContact CE1-CE2 3.83Å; F120-F175 HydrophobicContact CE2-CD2 4.5Å; F120-F175 AromaticContact CZ-CD2 3.64Å; F120-F175 HydrophobicContact CZ-CD2 3.64Å; F120-F175 AromaticContact CZ-CE2 4Å; F120-F175 HydrophobicContact CZ-CE2 4Å; F120-F178 HydrophobicContact CD1-CD1 4.37Å; F120-F178 HydrophobicContact CD1-CE1 4.12Å; F120-F178 AromaticContact CE1-CD1 3.49Å; F120-F178 HydrophobicContact CE1-CD1 3.49Å; F120-F178 VanDerWaalsContact CE1-CD1 3.49Å; F120-F178 AromaticContact CE1-CE1 3.69Å; F120-F178 HydrophobicContact CE1-CE1 3.69Å; F120-F178 HydrophobicContact CE1-CG 4.49Å; F120-F178 AromaticContact CZ-CD1 3.62Å; F120-F178 HydrophobicContact CZ-CD1 3.62Å; F120-F178 HydrophobicContact CZ-CE1 4.08Å; F120-F178 HydrophobicContact CZ-CG 4.2Å
121	F	97.6	Very high	95	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-37.5	178	-70.2	-59.2	0	0	0	113	L117 I118 N119 S125 F175 I179 V200 L203 L204 A222	L117-F121 HydrophobicContact CD1-CE2 3.88Å; L117-F121 HydrophobicContact CD1-CZ 4.25Å; L117-F121 HydrophobicContact CD2-CE2 4.49Å; L117-F121 HydrophobicContact CG-CD2 4.4Å; L117-F121 HydrophobicContact CG-CE2 3.85Å; L117-F121 WeakPolarHBondContact O-CD2 3.29Å; L117-F121 PolarHBondContact O-N 3.1Å; I118-F121 PolarHBondContact O-N 3.31Å; N119-F121 PolarHBondContact O-N 3.03Å; F121-S125 PolarHBondContact O-N 2.86Å; F121-S125 PolarHBondContact O-OG 3.17Å; F121-F175 HydrophobicContact CD1-CE2 4.02Å; F121-F175 HydrophobicContact CD1-CZ 4.09Å; F121-F175 HydrophobicContact CE1-CE2 4.25Å; F121-F175 HydrophobicContact CE1-CZ 4.31Å; F121-I179 HydrophobicContact CE1-CD1 3.85Å; F121-I179 HydrophobicContact CE1-CG1 4.1Å; F121-I179 HydrophobicContact CZ-CG1 4.42Å; F121-V200 HydrophobicContact CE2-CG1 3.94Å; F121-V200 HydrophobicContact CZ-CG1 4.3Å; F121-L203 HydrophobicContact CB-CD2 4.38Å; F121-L203 HydrophobicContact CD2-CD2 4.28Å; F121-L204 HydrophobicContact CB-CD2 4.42Å; F121-L204 HydrophobicContact CD1-CD2 3.98Å; F121-L204 HydrophobicContact CD2-CD2 4.23Å; F121-L204 HydrophobicContact CE1-CD2 4.27Å; F121-L204 HydrophobicContact CG-CD2 3.97Å; F121-L204 HydrophobicContact CZ-CD1 4.33Å; F121-A222 HydrophobicContact CD1-CB 4.09Å; F121-A222 HydrophobicContact CE1-CB 3.8Å
122	I	95.9	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-49.3	174.8	-65.1	-62.4	0	0	0	110.7	I118 N119 S125 C127 V131 M148 L207 F215	I118-I122 WeakPolarHBondContact O-CG1 3.41Å; I118-I122 PolarHBondContact O-N 3.29Å; I118-I122 VanDerWaalsContact O-N 3.17Å; N119-I122 PolarHBondContact O-N 3.09Å; I122-S125 WeakPolarHBondContact O-CA 3.48Å; I122-S125 WeakPolarHBondContact O-CB 3.45Å; I122-S125 PolarHBondContact O-N 3.17Å; I122-C127 HydrophobicContact CG2-CB 3.66Å; I122-C127 WeakPolarHBondContact CG2-SG 3.39Å; I122-V131 HydrophobicContact CG1-CG2 4.3Å; I122-M148 HydrophobicContact CD1-CB 4.31Å; I122-M148 HydrophobicContact CD1-CG 4.02Å; I122-M148 HydrophobicContact CG1-CG 4.37Å; I122-M148 HydrophobicContact CG2-CB 4.39Å; I122-M148 HydrophobicContact CG2-CE 4.1Å; I122-M148 HydrophobicContact CG2-CG 4.26Å; I122-L207 HydrophobicContact CD1-CD1 4.19Å; I122-L207 HydrophobicContact CD1-CD2 3.84Å; I122-F215 HydrophobicContact CD1-CD1 4.33Å; I122-F215 HydrophobicContact CD1-CE1 3.84Å; I122-F215 HydrophobicContact CD1-CZ 4.43Å; I122-F215 HydrophobicContact CG2-CE1 4.2Å
123	Q	96.1	Very high	95.1	Very high	17 Å²	17	22.2 Å²	22.2	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-69.2	-34.5	-179.8	-69	170.3	2.3	0	0	113.1	M83 F85 N119 F120 S125 G126	M83-Q123 PolarHBondContact SD-NE2 3.2Å; F85-Q123 HydrophobicContact CB-CB 3.88Å; F85-Q123 HydrophobicContact CD1-CB 4.09Å; F85-Q123 HydrophobicContact CD2-CB 4.38Å; F85-Q123 HydrophobicContact CG-CB 3.87Å; N119-Q123 WeakPolarHBondContact O-CB 3.48Å; N119-Q123 VanDerWaalsContact O-CG 3.25Å; N119-Q123 WeakPolarHBondContact O-CG 3.48Å; N119-Q123 PolarHBondContact O-N 3.22Å; F120-Q123 PolarHBondContact O-N 3.09Å; Q123-S125 PolarHBondContact O-N 3.02Å; Q123-G126 PolarHBondContact O-N 3.16Å
124	C	97	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-21.9	170.3	-72.2	0	0	0	0	112.8	F120 G126 P160 F171 F175 T218	F120-C124 WeakPolarHBondContact CE2-SG 3.31Å; F120-C124 VanDerWaalsContact O-CB 3.27Å; F120-C124 WeakPolarHBondContact O-CB 3.48Å; F120-C124 PolarHBondContact O-N 2.95Å; F120-C124 PolarHBondContact O-SG 3.01Å; C124-G126 VanDerWaalsContact C-N 3.31Å; C124-P160 WeakPolarHBondContact O-CG 3.4Å; C124-F171 HydrophobicContact CB-CZ 3.91Å; C124-F175 HydrophobicContact CB-CD2 3.91Å; C124-F175 HydrophobicContact CB-CE2 3.49Å; C124-F175 VanDerWaalsContact CB-CE2 3.49Å; C124-F175 HydrophobicContact CB-CZ 4.17Å; C124-F175 WeakPolarHBondContact SG-CD2 3.5Å; C124-F175 VanDerWaalsContact SG-CE2 3.51Å; C124-T218 HydrophobicContact CB-CG2 3.97Å
125	S	97.1	Very high	94.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2	172.9	-48.3	0	0	0	0	113.3	F121 I122 Q123 F152 Y159 A214 F215 T218	F121-S125 PolarHBondContact O-N 2.86Å; F121-S125 PolarHBondContact O-OG 3.17Å; I122-S125 WeakPolarHBondContact O-CA 3.48Å; I122-S125 WeakPolarHBondContact O-CB 3.45Å; I122-S125 PolarHBondContact O-N 3.17Å; Q123-S125 PolarHBondContact O-N 3.02Å; S125-F152 WeakPolarHBondContact O-CZ 3.39Å; S125-Y159 WeakPolarHBondContact O-CB 3.43Å; S125-A214 WeakPolarHBondContact O-CB 3.38Å; S125-F215 VanDerWaalsContact CB-CD1 3.48Å; S125-T218 WeakPolarHBondContact OG-CB 3.1Å
126	G	94.9	Very high	94.8	Very high	25 Å²	25	30 Å²	30	26%	0.258	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-10.7	-179.7	0	0	0	0	0	115.5	Q123 C124 K128	Q123-G126 PolarHBondContact O-N 3.16Å; C124-G126 VanDerWaalsContact C-N 3.31Å; G126-K128 PolarHBondContact O-N 2.82Å
127	C	95.8	Very high	94.6	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.02	17%	0.174	C	C	.	.			trans	-62	127.4	175	171.9	0	0	0	0	110.7	I122 G129 M148 F152 F215	I122-C127 HydrophobicContact CG2-CB 3.66Å; I122-C127 WeakPolarHBondContact CG2-SG 3.39Å; C127-G129 PolarHBondContact SG-N 3.17Å; C127-M148 PolarHBondContact SG-O 3.34Å; C127-F152 HydrophobicContact CB-CD1 4.41Å; C127-F152 HydrophobicContact CB-CD2 3.68Å; C127-F152 HydrophobicContact CB-CE1 4.46Å; C127-F152 HydrophobicContact CB-CE2 3.73Å; C127-F152 HydrophobicContact CB-CG 4.05Å; C127-F152 HydrophobicContact CB-CZ 4.14Å; C127-F215 HydrophobicContact CB-CE1 3.75Å; C127-F215 HydrophobicContact CB-CZ 3.78Å
128	K	93.3	Very high	94.5	Very high	94 Å²	94	39.2 Å²	39.2	41%	0.409	20%	0.203	S	C	.	.			trans	-85.2	-21.6	177.4	-60.9	171.9	-173.5	159.8	0	113.2	G126 F152 D153 D155	G126-K128 PolarHBondContact O-N 2.82Å; K128-F152 PolarHBondContact N-O 2.82Å; K128-D153 HydrophobicContact CB-CB 4.28Å; K128-D153 HydrophobicContact CD-CB 3.98Å; K128-D153 VanDerWaalsContact CD-O 3.23Å; K128-D153 WeakPolarHBondContact CD-O 3.43Å; K128-D153 WeakPolarHBondContact CD-OD2 3.32Å; K128-D153 WeakPolarHBondContact CE-O 3.03Å; K128-D153 PolarHBondContact NZ-O 3.35Å; K128-D153 IonicContact NZ-OD2 3.61Å; K128-D153 PolarHBondContact NZ-OD2 3.09Å; K128-D153 VanDerWaalsContact NZ-OD2 3.09Å; K128-D155 VanDerWaalsContact CE-OD2 3.29Å; K128-D155 WeakPolarHBondContact CE-OD2 3.25Å; K128-D155 VanDerWaalsContact NZ-CG 3.3Å; K128-D155 IonicContact NZ-OD1 3.53Å; K128-D155 PolarHBondContact NZ-OD1 3.47Å; K128-D155 IonicContact NZ-OD2 3.38Å; K128-D155 PolarHBondContact NZ-OD2 3.42Å
129	G	91.6	Very high	94.4	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	22%	0.215	C	C	.	.			trans	-61.6	157.8	176.4	0	0	0	0	0	113.8	C127 M148 E151	C127-G129 PolarHBondContact SG-N 3.17Å; G129-M148 WeakPolarHBondContact O-CE 3.36Å; G129-E151 VanDerWaalsContact CA-O 3.23Å; G129-E151 WeakPolarHBondContact CA-O 3.45Å; G129-E151 PolarHBondContact N-O 3.38Å
130	V	94.2	Very high	94.3	Very high	73 Å²	73	47.6 Å²	47.6	44%	0.442	24%	0.242	S	C	.	.			trans	-122.8	128.6	-175.3	178.7	0	0	0	0	111.3	N119	N119-V130 WeakPolarHBondContact OD1-CA 3.31Å; N119-V130 WeakPolarHBondContact OD1-CG1 3.25Å
131	V	94.6	Very high	94.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.25	C	S	.	.			trans	-74.2	128.4	168.7	-175.1	0	0	0	0	108.6	L115 I118 N119 I122 M135 I144 M148	L115-V131 HydrophobicContact CD1-CB 4.29Å; L115-V131 HydrophobicContact CD1-CG1 3.95Å; L115-V131 WeakPolarHBondContact CD1-O 3.43Å; I118-V131 HydrophobicContact CG2-CB 4.23Å; I118-V131 HydrophobicContact CG2-CG1 4.29Å; I118-V131 HydrophobicContact CG2-CG2 3.97Å; N119-V131 PolarHBondContact ND2-O 3.04Å; N119-V131 PolarHBondContact OD1-N 3.14Å; I122-V131 HydrophobicContact CG1-CG2 4.3Å; V131-M135 HydrophobicContact CG1-CB 4.15Å; V131-M135 HydrophobicContact CG1-CE 4.41Å; V131-I144 HydrophobicContact CG1-CG2 4.06Å; V131-I144 HydrophobicContact CG2-CG2 3.74Å; V131-M148 HydrophobicContact CG2-CE 4.22Å; V131-M148 HydrophobicContact CG2-CG 3.94Å; V131-M148 HydrophobicContact CG2-SD 3.63Å
132	T	94.7	Very high	93.8	Very high	67 Å²	67	53 Å²	53	41%	0.411	28%	0.278	S	S	.	.			trans	-99.5	161.6	-179.6	67.4	0	0	0	0	112.4	E134 M135 F136	T132-E134 PolarHBondContact O-N 2.85Å; T132-M135 HydrophobicContact CG2-SD 4.26Å; T132-M135 WeakPolarHBondContact O-CB 3.44Å; T132-M135 PolarHBondContact O-N 2.95Å; T132-M135 VanDerWaalsContact O-N 3.09Å; T132-M135 VanDerWaalsContact OG1-CG 3.3Å; T132-M135 WeakPolarHBondContact OG1-CG 3.13Å; T132-M135 PolarHBondContact OG1-N 2.68Å; T132-M135 PolarHBondContact OG1-SD 3.06Å; T132-F136 PolarHBondContact O-N 3.09Å
133	A	92.6	Very high	93.8	Very high	42 Å²	42	57 Å²	57	35%	0.347	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-29.1	177.3	0	0	0	0	0	113.4	L115 R137	L115-A133 HydrophobicContact CD2-CB 3.91Å; A133-R137 WeakPolarHBondContact O-CG 3.1Å; A133-R137 PolarHBondContact O-N 3.2Å
134	E	92.6	Very high	93.7	Very high	126 Å²	126	56.3 Å²	56.3	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-68	-45.4	174.3	-168.7	69.9	-175.1	0	0	110.9	T132 R137 H138	T132-E134 PolarHBondContact O-N 2.85Å; E134-R137 PolarHBondContact O-N 3.23Å; E134-H138 WeakPolarHBondContact O-CB 3.34Å; E134-H138 PolarHBondContact O-N 2.75Å; E134-H138 VanDerWaalsContact O-N 3.13Å; E134-H138 IonicContact OE1-CD2 3.51Å; E134-H138 PolarHBondContact OE1-CD2 2.82Å
135	M	92.6	Very high	93.6	Very high	26 Å²	26	56.9 Å²	56.9	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-46	175.8	-62.9	165.4	65.2	0	0	110.9	V131 T132 R137 H138 M139 I144 K147 M148	V131-M135 HydrophobicContact CG1-CB 4.15Å; V131-M135 HydrophobicContact CG1-CE 4.41Å; T132-M135 HydrophobicContact CG2-SD 4.26Å; T132-M135 WeakPolarHBondContact O-CB 3.44Å; T132-M135 PolarHBondContact O-N 2.95Å; T132-M135 VanDerWaalsContact O-N 3.09Å; T132-M135 VanDerWaalsContact OG1-CG 3.3Å; T132-M135 WeakPolarHBondContact OG1-CG 3.13Å; T132-M135 PolarHBondContact OG1-N 2.68Å; T132-M135 PolarHBondContact OG1-SD 3.06Å; M135-R137 VanDerWaalsContact C-N 3.28Å; M135-R137 PolarHBondContact O-N 3.09Å; M135-H138 PolarHBondContact O-N 3.34Å; M135-M139 HydrophobicContact CB-SD 3.85Å; M135-M139 HydrophobicContact CE-SD 4.37Å; M135-M139 HydrophobicContact CG-SD 3.66Å; M135-M139 WeakPolarHBondContact O-CB 3.36Å; M135-M139 PolarHBondContact O-N 2.93Å; M135-I144 HydrophobicContact CE-CG2 4.42Å; M135-K147 HydrophobicContact CE-CB 4.04Å; M135-K147 HydrophobicContact CE-CG 3.93Å; M135-M148 HydrophobicContact CE-SD 3.92Å
136	F	92.1	Very high	93.5	Very high	36 Å²	36	64.7 Å²	64.7	16%	0.158	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-31.5	-179.8	178.1	-123	0	0	0	113.5	D111 L114 L115 I118 T132 T199	D111-F136 HydrophobicContact CB-CE1 4.43Å; L114-F136 HydrophobicContact CB-CZ 4.17Å; L114-F136 HydrophobicContact CD1-CZ 4.39Å; L115-F136 HydrophobicContact CD1-CB 3.9Å; L115-F136 HydrophobicContact CD1-CG 4.4Å; I118-F136 HydrophobicContact CD1-CD2 3.43Å; I118-F136 VanDerWaalsContact CD1-CD2 3.43Å; I118-F136 HydrophobicContact CD1-CE2 3.41Å; I118-F136 VanDerWaalsContact CD1-CE2 3.41Å; I118-F136 HydrophobicContact CD1-CG 4.29Å; I118-F136 HydrophobicContact CD1-CZ 4.25Å; T132-F136 PolarHBondContact O-N 3.09Å; F136-T199 HydrophobicContact CE2-CG2 3.89Å; F136-T199 HydrophobicContact CZ-CG2 4.27Å
137	R	90.8	Very high	93.5	Very high	140 Å²	140	66.2 Å²	66.2	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-85.2	-24.3	178.8	-72.9	175.4	178.7	152.2	2.7	114.7	D111 A133 E134 M135	D111-R137 IonicContact OD2-CZ 3.65Å; D111-R137 VanDerWaalsContact OD2-CZ 3.29Å; D111-R137 IonicContact OD2-NE 3.69Å; D111-R137 PolarHBondContact OD2-NE 3.11Å; D111-R137 IonicContact OD2-NH2 2.81Å; D111-R137 PolarHBondContact OD2-NH2 3.43Å; A133-R137 WeakPolarHBondContact O-CG 3.1Å; A133-R137 PolarHBondContact O-N 3.2Å; E134-R137 PolarHBondContact O-N 3.23Å; M135-R137 VanDerWaalsContact C-N 3.28Å; M135-R137 PolarHBondContact O-N 3.09Å
138	H	92.6	Very high	93.5	Very high	133 Å²	133	66.1 Å²	66.1	62%	0.616	33%	0.325	S	S	*	.	H	α-helix	trans	-129.3	-9.1	-165.7	-62.3	-45.3	0	0	0	115.7	E134 M135	E134-H138 WeakPolarHBondContact O-CB 3.34Å; E134-H138 PolarHBondContact O-N 2.75Å; E134-H138 VanDerWaalsContact O-N 3.13Å; E134-H138 IonicContact OE1-CD2 3.51Å; E134-H138 PolarHBondContact OE1-CD2 2.82Å; M135-H138 PolarHBondContact O-N 3.34Å
139	M	93.4	Very high	93.5	Very high	57 Å²	57	64.5 Å²	64.5	28%	0.281	32%	0.323	S	S	.	.	S	Bend	trans	-112.5	148.7	176.2	-63.3	175.4	62.4	0	0	111.4	M135 E143 I144 K147	M135-M139 HydrophobicContact CB-SD 3.85Å; M135-M139 HydrophobicContact CE-SD 4.37Å; M135-M139 HydrophobicContact CG-SD 3.66Å; M135-M139 WeakPolarHBondContact O-CB 3.36Å; M135-M139 PolarHBondContact O-N 2.93Å; M139-E143 WeakPolarHBondContact CA-OE2 3.4Å; M139-E143 HydrophobicContact CB-CB 4.27Å; M139-E143 HydrophobicContact CE-CB 3.66Å; M139-E143 WeakPolarHBondContact CE-O 3.27Å; M139-I144 HydrophobicContact CB-CD1 4.29Å; M139-I144 HydrophobicContact CB-CG1 3.73Å; M139-I144 HydrophobicContact CE-CG1 4.46Å; M139-K147 HydrophobicContact CE-CB 4.36Å
140	Q	93.4	Very high	93.6	Very high	138 Å²	138	68.9 Å²	68.9	65%	0.645	34%	0.34	S	S	*	.			trans	-80.7	156.2	170.6	-67.6	-62	-60.8	0	0	111.4	S142 E143 I144	Q140-S142 PolarHBondContact O-N 3.07Å; Q140-S142 VanDerWaalsContact O-N 3.12Å; Q140-E143 HydrophobicContact CB-CG 4.34Å; Q140-E143 PolarHBondContact N-OE2 3.15Å; Q140-E143 WeakPolarHBondContact O-CA 3.28Å; Q140-E143 WeakPolarHBondContact O-CB 3.43Å; Q140-E143 PolarHBondContact O-N 3.44Å; Q140-I144 PolarHBondContact O-N 3.11Å
141	N	92.8	Very high	93.6	Very high	33 Å²	33	70.2 Å²	70.2	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-54.1	-36.3	-178.5	-84.4	-28	0	0	0	113.3	E143 I144 I145 S202 L203	N141-E143 VanDerWaalsContact C-N 3.33Å; N141-E143 PolarHBondContact O-N 2.85Å; N141-I144 PolarHBondContact O-N 3.09Å; N141-I145 WeakPolarHBondContact O-CB 3.15Å; N141-I145 VanDerWaalsContact O-CD1 3.31Å; N141-I145 WeakPolarHBondContact O-CD1 3.47Å; N141-I145 WeakPolarHBondContact O-CG1 3.36Å; N141-I145 PolarHBondContact O-N 3.26Å; N141-S202 PolarHBondContact ND2-OG 3.36Å; N141-L203 PolarHBondContact ND2-N 3.29Å
142	S	92.4	Very high	93.5	Very high	89 Å²	89	70.9 Å²	70.9	62%	0.622	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-36.3	174.8	49.7	0	0	0	0	113.6	Q140 R146	Q140-S142 PolarHBondContact O-N 3.07Å; Q140-S142 VanDerWaalsContact O-N 3.12Å; S142-R146 PolarHBondContact O-N 2.88Å; S142-R146 VanDerWaalsContact O-N 3.12Å
143	E	94.6	Very high	93.3	Very high	83 Å²	83	72.9 Å²	72.9	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-76.6	-40.3	178.4	-54.4	174.5	138.7	0	0	110.8	M139 Q140 N141 R146 K147	M139-E143 WeakPolarHBondContact CA-OE2 3.4Å; M139-E143 HydrophobicContact CB-CB 4.27Å; M139-E143 HydrophobicContact CE-CB 3.66Å; M139-E143 WeakPolarHBondContact CE-O 3.27Å; Q140-E143 HydrophobicContact CB-CG 4.34Å; Q140-E143 PolarHBondContact N-OE2 3.15Å; Q140-E143 WeakPolarHBondContact O-CA 3.28Å; Q140-E143 WeakPolarHBondContact O-CB 3.43Å; Q140-E143 PolarHBondContact O-N 3.44Å; N141-E143 VanDerWaalsContact C-N 3.33Å; N141-E143 PolarHBondContact O-N 2.85Å; E143-R146 PolarHBondContact O-N 3.35Å; E143-K147 PolarHBondContact O-N 3.39Å
144	I	93.9	Very high	93.1	Very high	3 Å²	3	76.6 Å²	76.6	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-50.8	173.1	-64.7	173.3	0	0	0	109.5	V131 M135 M139 Q140 N141 R146 K147 M148	V131-I144 HydrophobicContact CG1-CG2 4.06Å; V131-I144 HydrophobicContact CG2-CG2 3.74Å; M135-I144 HydrophobicContact CE-CG2 4.42Å; M139-I144 HydrophobicContact CB-CD1 4.29Å; M139-I144 HydrophobicContact CB-CG1 3.73Å; M139-I144 HydrophobicContact CE-CG1 4.46Å; Q140-I144 PolarHBondContact O-N 3.11Å; N141-I144 PolarHBondContact O-N 3.09Å; I144-R146 VanDerWaalsContact C-N 3.31Å; I144-R146 PolarHBondContact O-N 3.29Å; I144-K147 CarbonylContact O-C 3.53Å; I144-K147 WeakPolarHBondContact O-CA 3.5Å; I144-K147 WeakPolarHBondContact O-CB 3.37Å; I144-K147 PolarHBondContact O-N 3.29Å; I144-M148 HydrophobicContact CG2-CG 4.14Å; I144-M148 VanDerWaalsContact O-CG 3.27Å; I144-M148 WeakPolarHBondContact O-CG 3.07Å; I144-M148 PolarHBondContact O-N 3.11Å
145	I	95.4	Very high	92.8	Very high	13 Å²	13	77.6 Å²	77.6	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-38.2	-179.9	-67.2	163.5	0	0	0	111.3	N141 M148 T149 L207	N141-I145 WeakPolarHBondContact O-CB 3.15Å; N141-I145 VanDerWaalsContact O-CD1 3.31Å; N141-I145 WeakPolarHBondContact O-CD1 3.47Å; N141-I145 WeakPolarHBondContact O-CG1 3.36Å; N141-I145 PolarHBondContact O-N 3.26Å; I145-M148 PolarHBondContact O-N 2.94Å; I145-T149 WeakPolarHBondContact O-CB 3.45Å; I145-T149 PolarHBondContact O-N 3.12Å; I145-T149 PolarHBondContact O-OG1 3.36Å; I145-L207 HydrophobicContact CD1-CD2 4.03Å; I145-L207 HydrophobicContact CD1-CG 3.96Å; I145-L207 HydrophobicContact CG1-CD2 3.71Å; I145-L207 HydrophobicContact CG1-CG 4.13Å; I145-L207 HydrophobicContact CG2-CD2 4.23Å
146	R	94.8	Very high	92.8	Very high	164 Å²	164	79 Å²	79	62%	0.619	38%	0.384	S	S	*	.	H	α-helix	trans	-62.6	-45.5	172.1	-163.3	-174.5	76.3	-143.6	-5.5	111.1	S142 E143 I144 M148 T149 E150	S142-R146 PolarHBondContact O-N 2.88Å; S142-R146 VanDerWaalsContact O-N 3.12Å; E143-R146 PolarHBondContact O-N 3.35Å; I144-R146 VanDerWaalsContact C-N 3.31Å; I144-R146 PolarHBondContact O-N 3.29Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-M148 PolarHBondContact O-N 2.92Å; R146-T149 WeakPolarHBondContact O-CA 3.32Å; R146-T149 WeakPolarHBondContact O-CB 3.37Å; R146-T149 PolarHBondContact O-N 3.19Å; R146-E150 IonicContact NE-OE1 2.59Å; R146-E150 PolarHBondContact NE-OE1 3.47Å; R146-E150 VanDerWaalsContact NE-OE1 3.12Å; R146-E150 WeakPolarHBondContact O-CG 3.39Å; R146-E150 PolarHBondContact O-N 3.06Å
147	K	95	Very high	92.6	Very high	58 Å²	58	81 Å²	81	25%	0.252	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-39.4	176.5	-166	76.3	-150.9	100.6	0	112.2	M135 M139 E143 I144 T149 E150 E151	M135-K147 HydrophobicContact CE-CB 4.04Å; M135-K147 HydrophobicContact CE-CG 3.93Å; M139-K147 HydrophobicContact CE-CB 4.36Å; E143-K147 PolarHBondContact O-N 3.39Å; I144-K147 CarbonylContact O-C 3.53Å; I144-K147 WeakPolarHBondContact O-CA 3.5Å; I144-K147 WeakPolarHBondContact O-CB 3.37Å; I144-K147 PolarHBondContact O-N 3.29Å; K147-T149 PolarHBondContact O-N 3.06Å; K147-E150 IonicContact NZ-OE2 3.25Å; K147-E150 PolarHBondContact NZ-OE2 3.17Å; K147-E150 WeakPolarHBondContact O-CB 3.45Å; K147-E150 PolarHBondContact O-N 3.22Å; K147-E151 VanDerWaalsContact CE-OE1 3.31Å; K147-E151 WeakPolarHBondContact CE-OE1 3.47Å; K147-E151 HydrophobicContact CG-CG 4.38Å; K147-E151 IonicContact NZ-OE1 2.74Å; K147-E151 PolarHBondContact NZ-OE1 3.45Å; K147-E151 WeakPolarHBondContact O-CG 3.42Å; K147-E151 PolarHBondContact O-N 2.87Å
148	M	96.4	Very high	92.7	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.005	41%	0.411	C	S	.	.	H	α-helix	trans	-72	-16.2	175.4	-54	-30.3	-65.3	0	0	113.2	I122 C127 G129 V131 M135 I144 I145 R146 F152 F215	I122-M148 HydrophobicContact CD1-CB 4.31Å; I122-M148 HydrophobicContact CD1-CG 4.02Å; I122-M148 HydrophobicContact CG1-CG 4.37Å; I122-M148 HydrophobicContact CG2-CB 4.39Å; I122-M148 HydrophobicContact CG2-CE 4.1Å; I122-M148 HydrophobicContact CG2-CG 4.26Å; C127-M148 PolarHBondContact SG-O 3.34Å; G129-M148 WeakPolarHBondContact O-CE 3.36Å; V131-M148 HydrophobicContact CG2-CE 4.22Å; V131-M148 HydrophobicContact CG2-CG 3.94Å; V131-M148 HydrophobicContact CG2-SD 3.63Å; M135-M148 HydrophobicContact CE-SD 3.92Å; I144-M148 HydrophobicContact CG2-CG 4.14Å; I144-M148 VanDerWaalsContact O-CG 3.27Å; I144-M148 WeakPolarHBondContact O-CG 3.07Å; I144-M148 PolarHBondContact O-N 3.11Å; I145-M148 PolarHBondContact O-N 2.94Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-M148 PolarHBondContact O-N 2.92Å; M148-F152 PolarHBondContact O-N 3.45Å; M148-F215 HydrophobicContact CB-CE2 4.33Å; M148-F215 HydrophobicContact CB-CZ 3.78Å; M148-F215 WeakPolarHBondContact O-CZ 3.27Å
149	T	93.3	Very high	92.9	Very high	59 Å²	59	72.2 Å²	72.2	36%	0.362	38%	0.383	S	S	.	.	H	α-helix	trans	-83.2	-34.1	169.1	-53.3	0	0	0	0	111.2	I145 R146 K147 V212	I145-T149 WeakPolarHBondContact O-CB 3.45Å; I145-T149 PolarHBondContact O-N 3.12Å; I145-T149 PolarHBondContact O-OG1 3.36Å; R146-T149 WeakPolarHBondContact O-CA 3.32Å; R146-T149 WeakPolarHBondContact O-CB 3.37Å; R146-T149 PolarHBondContact O-N 3.19Å; K147-T149 PolarHBondContact O-N 3.06Å; T149-V212 HydrophobicContact CG2-CG2 3.57Å
150	E	92.9	Very high	93	Very high	105 Å²	105	69.8 Å²	69.8	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-69.5	-37.2	172.2	-66	165	-153.1	0	0	112.1	R146 K147	R146-E150 IonicContact NE-OE1 2.59Å; R146-E150 PolarHBondContact NE-OE1 3.47Å; R146-E150 VanDerWaalsContact NE-OE1 3.12Å; R146-E150 WeakPolarHBondContact O-CG 3.39Å; R146-E150 PolarHBondContact O-N 3.06Å; K147-E150 IonicContact NZ-OE2 3.25Å; K147-E150 PolarHBondContact NZ-OE2 3.17Å; K147-E150 WeakPolarHBondContact O-CB 3.45Å; K147-E150 PolarHBondContact O-N 3.22Å
151	E	93.9	Very high	93.1	Very high	101 Å²	101	63.9 Å²	63.9	47%	0.472	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	30.5	-178.5	-53.1	-67.7	152.4	0	0	112.4	G129 K147	G129-E151 VanDerWaalsContact CA-O 3.23Å; G129-E151 WeakPolarHBondContact CA-O 3.45Å; G129-E151 PolarHBondContact N-O 3.38Å; K147-E151 VanDerWaalsContact CE-OE1 3.31Å; K147-E151 WeakPolarHBondContact CE-OE1 3.47Å; K147-E151 HydrophobicContact CG-CG 4.38Å; K147-E151 IonicContact NZ-OE1 2.74Å; K147-E151 PolarHBondContact NZ-OE1 3.45Å; K147-E151 WeakPolarHBondContact O-CG 3.42Å; K147-E151 PolarHBondContact O-N 2.87Å
152	F	92.7	Very high	93.2	Very high	15 Å²	15	64.7 Å²	64.7	7%	0.066	35%	0.35	C	S	.	.			trans	-69.9	-39.3	-178.3	-161.2	-71.9	0	0	0	111.5	S125 C127 K128 M148 E154 V212 A214 F215	S125-F152 WeakPolarHBondContact O-CZ 3.39Å; C127-F152 HydrophobicContact CB-CD1 4.41Å; C127-F152 HydrophobicContact CB-CD2 3.68Å; C127-F152 HydrophobicContact CB-CE1 4.46Å; C127-F152 HydrophobicContact CB-CE2 3.73Å; C127-F152 HydrophobicContact CB-CG 4.05Å; C127-F152 HydrophobicContact CB-CZ 4.14Å; K128-F152 PolarHBondContact N-O 2.82Å; M148-F152 PolarHBondContact O-N 3.45Å; F152-E154 WeakPolarHBondContact CB-OE2 3.33Å; F152-E154 HydrophobicContact CD1-CB 3.82Å; F152-E154 WeakPolarHBondContact CD1-OE2 3.44Å; F152-E154 HydrophobicContact CE1-CB 4.08Å; F152-V212 HydrophobicContact CE2-CG1 4.19Å; F152-A214 HydrophobicContact CE2-CB 4.13Å; F152-A214 HydrophobicContact CZ-CB 3.76Å; F152-F215 HydrophobicContact CD2-CE1 4.23Å; F152-F215 AromaticContact CD2-CE2 3.69Å; F152-F215 HydrophobicContact CD2-CE2 3.69Å; F152-F215 AromaticContact CD2-CZ 3.5Å; F152-F215 HydrophobicContact CD2-CZ 3.5Å; F152-F215 HydrophobicContact CE2-CD1 4.38Å; F152-F215 HydrophobicContact CE2-CD2 4.35Å; F152-F215 AromaticContact CE2-CE1 3.91Å; F152-F215 HydrophobicContact CE2-CE1 3.91Å; F152-F215 AromaticContact CE2-CE2 3.89Å; F152-F215 HydrophobicContact CE2-CE2 3.89Å; F152-F215 AromaticContact CE2-CZ 3.63Å; F152-F215 HydrophobicContact CE2-CZ 3.63Å
153	D	90.7	Very high	93.3	Very high	109 Å²	109	63.3 Å²	63.3	58%	0.583	34%	0.335	S	S	*	.			trans	56	46.7	176.4	-170.9	62.4	0	0	0	113.2	K128	K128-D153 HydrophobicContact CB-CB 4.28Å; K128-D153 HydrophobicContact CD-CB 3.98Å; K128-D153 VanDerWaalsContact CD-O 3.23Å; K128-D153 WeakPolarHBondContact CD-O 3.43Å; K128-D153 WeakPolarHBondContact CD-OD2 3.32Å; K128-D153 WeakPolarHBondContact CE-O 3.03Å; K128-D153 PolarHBondContact NZ-O 3.35Å; K128-D153 IonicContact NZ-OD2 3.61Å; K128-D153 PolarHBondContact NZ-OD2 3.09Å; K128-D153 VanDerWaalsContact NZ-OD2 3.09Å
154	E	89.8	Confident	93.1	Very high	120 Å²	120	63.9 Å²	63.9	56%	0.561	35%	0.353	S	S	*	.			trans	-72.6	139.3	179.8	67.7	-78.9	-168	0	0	114.4	F152 S156	F152-E154 WeakPolarHBondContact CB-OE2 3.33Å; F152-E154 HydrophobicContact CD1-CB 3.82Å; F152-E154 WeakPolarHBondContact CD1-OE2 3.44Å; F152-E154 HydrophobicContact CE1-CB 4.08Å; E154-S156 WeakPolarHBondContact CB-O 3.32Å
155	D	85.4	Confident	93	Very high	146 Å²	146	65 Å²	65	78%	0.781	37%	0.366	S	S	*	.	S	Bend	trans	-90.5	-19.8	171.5	-52.6	-73.9	0	0	0	112.4	K128	K128-D155 VanDerWaalsContact CE-OD2 3.29Å; K128-D155 WeakPolarHBondContact CE-OD2 3.25Å; K128-D155 VanDerWaalsContact NZ-CG 3.3Å; K128-D155 IonicContact NZ-OD1 3.53Å; K128-D155 PolarHBondContact NZ-OD1 3.47Å; K128-D155 IonicContact NZ-OD2 3.38Å; K128-D155 PolarHBondContact NZ-OD2 3.42Å
156	S	91.8	Very high	92.8	Very high	55 Å²	55	70 Å²	70	39%	0.385	40%	0.399	S	S	.	.	S	Bend	trans	-154.8	176.1	175.9	76.4	0	0	0	0	110.4	E154 D158	E154-S156 WeakPolarHBondContact CB-O 3.32Å; S156-D158 PolarHBondContact O-N 2.81Å; S156-D158 VanDerWaalsContact O-N 3.16Å; S156-D158 WeakPolarHBondContact OG-CB 3.38Å; S156-D158 PolarHBondContact OG-N 3.25Å; S156-D158 PolarHBondContact OG-OD2 3.47Å
157	G	89.7	Confident	92.6	Very high	78 Å²	78	68.8 Å²	68.8	80%	0.804	40%	0.401	S	S	*	.	S	Bend	trans	-71.7	4.3	172.7	0	0	0	0	0	115.4
158	D	92.4	Very high	92.5	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.444	40%	0.395	S	S	.	.			trans	-84	147.8	-176.7	-64.5	-73.6	0	0	0	113.2	S156 M163	S156-D158 PolarHBondContact O-N 2.81Å; S156-D158 VanDerWaalsContact O-N 3.16Å; S156-D158 WeakPolarHBondContact OG-CB 3.38Å; S156-D158 PolarHBondContact OG-N 3.25Å; S156-D158 PolarHBondContact OG-OD2 3.47Å; D158-M163 HydrophobicContact CB-CE 3.52Å; D158-M163 HydrophobicContact CB-CG 3.95Å
159	Y	96.2	Very high	92.3	Very high	7 Å²	7	75.2 Å²	75.2	3%	0.027	43%	0.428	C	S	.	.			trans	-142.4	163.3	173.8	57.6	-79.4	0	0	0	110.8	S125 L161 T162 M163 R213 A214 H217	S125-Y159 WeakPolarHBondContact O-CB 3.43Å; Y159-L161 HydrophobicContact CD2-CB 4.2Å; Y159-L161 HydrophobicContact CE2-CB 4.07Å; Y159-L161 PolarHBondContact O-N 2.97Å; Y159-T162 HydrophobicContact CD1-CG2 4.2Å; Y159-T162 HydrophobicContact CE1-CG2 3.55Å; Y159-T162 HydrophobicContact CE2-CG2 4.1Å; Y159-T162 PolarHBondContact N-OG1 2.72Å; Y159-T162 PolarHBondContact O-N 3.25Å; Y159-T162 PolarHBondContact O-OG1 3.15Å; Y159-M163 PolarHBondContact O-N 3.41Å; Y159-R213 HydrophobicContact CE1-CG 4.47Å; Y159-R213 WeakPolarHBondContact OH-CG 3.49Å; Y159-A214 HydrophobicContact CD1-CB 3.73Å; Y159-A214 HydrophobicContact CD2-CB 3.96Å; Y159-A214 HydrophobicContact CE1-CB 4.25Å; Y159-A214 HydrophobicContact CE2-CB 4.43Å; Y159-A214 HydrophobicContact CG-CB 3.57Å; Y159-H217 HydrophobicContact CE2-CB 3.89Å; Y159-H217 AromaticContact CE2-CG 3.97Å; Y159-H217 AromaticContact CE2-ND1 3.62Å; Y159-H217 AromaticContact CZ-ND1 3.69Å; Y159-H217 WeakPolarHBondContact OH-CB 3.3Å; Y159-H217 PolarHBondContact OH-ND1 3.35Å
160	P	96.2	Very high	92.3	Very high	5 Å²	5	77 Å²	77	3%	0.032	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-12.6	-167.5	-33.8	40.3	0	0	0	118	F85 C124 W168 F171	F85-P160 HydrophobicContact CE2-CG 4.38Å; F85-P160 HydrophobicContact CZ-CG 4.34Å; C124-P160 WeakPolarHBondContact O-CG 3.4Å; P160-W168 HydrophobicContact CB-CE3 4.03Å; P160-W168 HydrophobicContact CB-CH2 4.44Å; P160-W168 HydrophobicContact CB-CZ3 3.65Å; P160-W168 HydrophobicContact CG-CH2 4.4Å; P160-W168 HydrophobicContact CG-CZ3 4.03Å; P160-F171 HydrophobicContact CB-CD1 3.83Å; P160-F171 HydrophobicContact CB-CE1 3.34Å; P160-F171 HydrophobicContact CB-CZ 4.02Å
161	L	95.4	Very high	92.4	Very high	15 Å²	15	72 Å²	72	8%	0.079	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-20.7	177.3	-63	-178.6	0	0	0	114.6	Y159 F171 K172 T218 L221	Y159-L161 HydrophobicContact CD2-CB 4.2Å; Y159-L161 HydrophobicContact CE2-CB 4.07Å; Y159-L161 PolarHBondContact O-N 2.97Å; L161-F171 HydrophobicContact CD2-CE1 4.23Å; L161-K172 HydrophobicContact CD2-CB 4.07Å; L161-K172 HydrophobicContact CD2-CD 3.95Å; L161-K172 HydrophobicContact CD2-CG 3.79Å; L161-T218 HydrophobicContact CD1-CG2 4.17Å; L161-L221 HydrophobicContact CD1-CB 4.49Å; L161-L221 HydrophobicContact CD1-CD2 3.78Å; L161-L221 HydrophobicContact CD2-CD2 3.85Å
162	T	94.6	Very high	92.5	Very high	49 Å²	49	70.2 Å²	70.2	30%	0.301	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-24.5	176	56.5	0	0	0	0	112.8	Y159 A164	Y159-T162 HydrophobicContact CD1-CG2 4.2Å; Y159-T162 HydrophobicContact CE1-CG2 3.55Å; Y159-T162 HydrophobicContact CE2-CG2 4.1Å; Y159-T162 PolarHBondContact N-OG1 2.72Å; Y159-T162 PolarHBondContact O-N 3.25Å; Y159-T162 PolarHBondContact O-OG1 3.15Å; T162-A164 PolarHBondContact O-N 2.99Å
163	M	94.1	Very high	92.6	Very high	61 Å²	61	73.4 Å²	73.4	30%	0.3	42%	0.422	S	S	.	.			trans	-59.7	128	-178.6	-70.5	-179.5	178.4	0	0	112.7	D158 Y159 W168	D158-M163 HydrophobicContact CB-CE 3.52Å; D158-M163 HydrophobicContact CB-CG 3.95Å; Y159-M163 PolarHBondContact O-N 3.41Å; M163-W168 HydrophobicContact CB-CB 4.32Å; M163-W168 VanDerWaalsContact CB-CD1 3.44Å; M163-W168 HydrophobicContact CB-CD2 4.04Å; M163-W168 HydrophobicContact CB-CG 3.73Å; M163-W168 WeakPolarHBondContact O-CB 3.34Å; M163-W168 HydrophobicContact SD-CD2 4.26Å; M163-W168 VanDerWaalsContact SD-CE2 3.5Å; M163-W168 HydrophobicContact SD-CH2 3.95Å; M163-W168 HydrophobicContact SD-CZ2 3.33Å; M163-W168 WeakPolarHBondContact SD-CZ2 3.32Å
164	A	90.9	Very high	92.9	Very high	94 Å²	94	68.9 Å²	68.9	78%	0.777	40%	0.399	S	S	*	.			trans	-74.5	154.3	-177.5	0	0	0	0	0	113.7	T162	T162-A164 PolarHBondContact O-N 2.99Å
165	G	91.1	Very high	93.2	Very high	28 Å²	28	63.2 Å²	63.2	29%	0.289	37%	0.372	S	S	.	.	S	Bend	trans	113	165.7	169	0	0	0	0	0	115.5	Q167 W168 K169	G165-Q167 VanDerWaalsContact C-N 3.32Å; G165-Q167 PolarHBondContact O-N 3.28Å; G165-W168 PolarHBondContact O-N 3.47Å; G165-K169 PolarHBondContact O-N 3.3Å; G165-K169 VanDerWaalsContact O-N 3.16Å
166	P	91.5	Very high	93.8	Very high	117 Å²	117	57.2 Å²	57.2	76%	0.76	34%	0.342	S	S	*	.	H	α-helix	trans	-62.4	-34.9	-170.6	-24.5	35	0	0	0	114.2	K170	P166-K170 WeakPolarHBondContact O-CB 3.19Å; P166-K170 PolarHBondContact O-N 3.26Å
167	Q	91	Very high	94	Very high	138 Å²	138	59 Å²	59	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-40.1	-179.8	67.8	-165.9	12.7	0	0	112.7	G165 K170 F171	G165-Q167 VanDerWaalsContact C-N 3.32Å; G165-Q167 PolarHBondContact O-N 3.28Å; Q167-K170 PolarHBondContact O-N 2.7Å; Q167-F171 PolarHBondContact O-N 3.39Å
168	W	92.9	Very high	94.3	Very high	34 Å²	34	55.3 Å²	55.3	13%	0.129	31%	0.306	C	S	.	.	H	α-helix	trans	-79.5	-34.2	180	-65.5	121.9	0	0	0	111.9	K89 P160 M163 G165 K170 F171 K172	K89-W168 HydrophobicContact CD-CH2 4.27Å; K89-W168 HydrophobicContact CD-CZ3 4.11Å; K89-W168 HydrophobicContact CG-CZ3 4.49Å; P160-W168 HydrophobicContact CB-CE3 4.03Å; P160-W168 HydrophobicContact CB-CH2 4.44Å; P160-W168 HydrophobicContact CB-CZ3 3.65Å; P160-W168 HydrophobicContact CG-CH2 4.4Å; P160-W168 HydrophobicContact CG-CZ3 4.03Å; M163-W168 HydrophobicContact CB-CB 4.32Å; M163-W168 VanDerWaalsContact CB-CD1 3.44Å; M163-W168 HydrophobicContact CB-CD2 4.04Å; M163-W168 HydrophobicContact CB-CG 3.73Å; M163-W168 WeakPolarHBondContact O-CB 3.34Å; M163-W168 HydrophobicContact SD-CD2 4.26Å; M163-W168 VanDerWaalsContact SD-CE2 3.5Å; M163-W168 HydrophobicContact SD-CH2 3.95Å; M163-W168 HydrophobicContact SD-CZ2 3.33Å; M163-W168 WeakPolarHBondContact SD-CZ2 3.32Å; G165-W168 PolarHBondContact O-N 3.47Å; W168-K170 VanDerWaalsContact C-N 3.34Å; W168-K170 PolarHBondContact O-N 3.34Å; W168-F171 HydrophobicContact CE3-CB 4.22Å; W168-F171 HydrophobicContact CE3-CD1 4.1Å; W168-F171 HydrophobicContact CE3-CG 4.28Å; W168-F171 HydrophobicContact CZ3-CD1 4.45Å; W168-F171 PolarHBondContact O-N 2.98Å; W168-K172 PolarHBondContact O-N 3.14Å
169	K	92.3	Very high	94.6	Very high	160 Å²	160	51.6 Å²	51.6	70%	0.696	29%	0.286	S	S	*	.	H	α-helix	trans	-58	-45	165.5	-70.1	-172.4	176.2	-173.9	0	111.6	G165 K172 S173	G165-K169 PolarHBondContact O-N 3.3Å; G165-K169 VanDerWaalsContact O-N 3.16Å; K169-K172 PolarHBondContact O-N 3.14Å; K169-S173 PolarHBondContact O-N 2.91Å; K169-S173 VanDerWaalsContact O-N 3.13Å; K169-S173 PolarHBondContact O-OG 3.04Å
170	K	93	Very high	94.6	Very high	97 Å²	97	51.4 Å²	51.4	42%	0.422	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-42.9	174.3	-172.9	-167	173.8	-167.8	0	112.1	M90 G91 P166 Q167 W168 S173 S174	M90-K170 PolarHBondContact O-NZ 3.02Å; G91-K170 PolarHBondContact O-NZ 3.29Å; P166-K170 WeakPolarHBondContact O-CB 3.19Å; P166-K170 PolarHBondContact O-N 3.26Å; Q167-K170 PolarHBondContact O-N 2.7Å; W168-K170 VanDerWaalsContact C-N 3.34Å; W168-K170 PolarHBondContact O-N 3.34Å; K170-S173 PolarHBondContact O-N 3Å; K170-S174 WeakPolarHBondContact O-CB 3.29Å; K170-S174 PolarHBondContact O-N 2.97Å; K170-S174 PolarHBondContact O-OG 3.26Å
171	F	95.5	Very high	94.6	Very high	1 Å²	1	52 Å²	52	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-48.5	174.6	164.4	-100.3	0	0	0	111.5	F85 K89 C124 P160 L161 Q167 W168 S173 S174 F175	F85-F171 AromaticContact CD2-CE2 3.95Å; F85-F171 HydrophobicContact CD2-CE2 3.95Å; F85-F171 HydrophobicContact CD2-CZ 4.35Å; F85-F171 AromaticContact CE2-CE2 3.76Å; F85-F171 HydrophobicContact CE2-CE2 3.76Å; F85-F171 AromaticContact CE2-CZ 3.95Å; F85-F171 HydrophobicContact CE2-CZ 3.95Å; K89-F171 HydrophobicContact CB-CD2 3.97Å; K89-F171 HydrophobicContact CG-CD2 4.39Å; C124-F171 HydrophobicContact CB-CZ 3.91Å; P160-F171 HydrophobicContact CB-CD1 3.83Å; P160-F171 HydrophobicContact CB-CE1 3.34Å; P160-F171 HydrophobicContact CB-CZ 4.02Å; L161-F171 HydrophobicContact CD2-CE1 4.23Å; Q167-F171 PolarHBondContact O-N 3.39Å; W168-F171 HydrophobicContact CE3-CB 4.22Å; W168-F171 HydrophobicContact CE3-CD1 4.1Å; W168-F171 HydrophobicContact CE3-CG 4.28Å; W168-F171 HydrophobicContact CZ3-CD1 4.45Å; W168-F171 PolarHBondContact O-N 2.98Å; F171-S173 VanDerWaalsContact C-N 3.3Å; F171-S173 PolarHBondContact O-N 3.26Å; F171-S174 PolarHBondContact O-N 3.49Å; F171-F175 HydrophobicContact CE2-CB 4.31Å; F171-F175 HydrophobicContact CZ-CB 4.24Å; F171-F175 HydrophobicContact CZ-CD2 4.36Å; F171-F175 HydrophobicContact CZ-CG 4.42Å; F171-F175 WeakPolarHBondContact O-CB 3.45Å; F171-F175 PolarHBondContact O-N 3.41Å
172	K	95.6	Very high	94.7	Very high	63 Å²	63	51.7 Å²	51.7	27%	0.274	29%	0.288	S	S	.	.	H	α-helix	trans	-55.8	-43.5	177.4	-174.5	165.1	-173.3	165.6	0	111.7	L161 W168 K169 C176 L221	L161-K172 HydrophobicContact CD2-CB 4.07Å; L161-K172 HydrophobicContact CD2-CD 3.95Å; L161-K172 HydrophobicContact CD2-CG 3.79Å; W168-K172 PolarHBondContact O-N 3.14Å; K169-K172 PolarHBondContact O-N 3.14Å; K172-C176 PolarHBondContact O-N 3.1Å; K172-C176 PolarHBondContact O-SG 3.45Å; K172-L221 HydrophobicContact CG-CD2 4.22Å
173	S	94.8	Very high	94.8	Very high	81 Å²	81	49.5 Å²	49.5	57%	0.566	28%	0.275	S	S	*	.	H	α-helix	trans	-63.6	-45.2	172.6	-58.9	0	0	0	0	113.2	K169 K170 F171 C176 E177	K169-S173 PolarHBondContact O-N 2.91Å; K169-S173 VanDerWaalsContact O-N 3.13Å; K169-S173 PolarHBondContact O-OG 3.04Å; K170-S173 PolarHBondContact O-N 3Å; F171-S173 VanDerWaalsContact C-N 3.3Å; F171-S173 PolarHBondContact O-N 3.26Å; S173-C176 PolarHBondContact O-N 2.92Å; S173-E177 WeakPolarHBondContact O-CB 3.4Å; S173-E177 PolarHBondContact O-N 2.94Å
174	S	95.8	Very high	94.7	Very high	15 Å²	15	50 Å²	50	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-36.9	-177.7	-57.4	0	0	0	0	112.3	V88 M95 K170 F171 E177 F178	V88-S174 WeakPolarHBondContact O-CB 3.36Å; M95-S174 WeakPolarHBondContact CE-O 3.45Å; K170-S174 WeakPolarHBondContact O-CB 3.29Å; K170-S174 PolarHBondContact O-N 2.97Å; K170-S174 PolarHBondContact O-OG 3.26Å; F171-S174 PolarHBondContact O-N 3.49Å; S174-E177 PolarHBondContact O-N 3.29Å; S174-F178 WeakPolarHBondContact O-CB 3.35Å; S174-F178 PolarHBondContact O-N 2.9Å
175	F	97.1	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-48.2	172.6	177.4	-107.6	0	0	0	111.9	F120 F121 C124 F171 E177 F178 I179 T218 L221 A222	F120-F175 AromaticContact CE1-CD2 3.94Å; F120-F175 HydrophobicContact CE1-CD2 3.94Å; F120-F175 AromaticContact CE1-CE2 3.83Å; F120-F175 HydrophobicContact CE1-CE2 3.83Å; F120-F175 HydrophobicContact CE2-CD2 4.5Å; F120-F175 AromaticContact CZ-CD2 3.64Å; F120-F175 HydrophobicContact CZ-CD2 3.64Å; F120-F175 AromaticContact CZ-CE2 4Å; F120-F175 HydrophobicContact CZ-CE2 4Å; F121-F175 HydrophobicContact CD1-CE2 4.02Å; F121-F175 HydrophobicContact CD1-CZ 4.09Å; F121-F175 HydrophobicContact CE1-CE2 4.25Å; F121-F175 HydrophobicContact CE1-CZ 4.31Å; C124-F175 HydrophobicContact CB-CD2 3.91Å; C124-F175 HydrophobicContact CB-CE2 3.49Å; C124-F175 VanDerWaalsContact CB-CE2 3.49Å; C124-F175 HydrophobicContact CB-CZ 4.17Å; C124-F175 WeakPolarHBondContact SG-CD2 3.5Å; C124-F175 VanDerWaalsContact SG-CE2 3.51Å; F171-F175 HydrophobicContact CE2-CB 4.31Å; F171-F175 HydrophobicContact CZ-CB 4.24Å; F171-F175 HydrophobicContact CZ-CD2 4.36Å; F171-F175 HydrophobicContact CZ-CG 4.42Å; F171-F175 WeakPolarHBondContact O-CB 3.45Å; F171-F175 PolarHBondContact O-N 3.41Å; F175-E177 VanDerWaalsContact C-N 3.34Å; F175-E177 PolarHBondContact O-N 3.47Å; F175-F178 PolarHBondContact O-N 3.13Å; F175-I179 HydrophobicContact CD1-CD1 4.32Å; F175-I179 HydrophobicContact CE1-CD1 3.98Å; F175-I179 HydrophobicContact CE2-CD1 4.21Å; F175-I179 HydrophobicContact CZ-CD1 3.94Å; F175-I179 WeakPolarHBondContact O-CG1 3.4Å; F175-I179 PolarHBondContact O-N 3.03Å; F175-T218 HydrophobicContact CE1-CG2 4.18Å; F175-T218 HydrophobicContact CZ-CG2 3.79Å; F175-L221 HydrophobicContact CD1-CD2 4.21Å; F175-L221 HydrophobicContact CE1-CD2 4.3Å; F175-L221 HydrophobicContact CE1-CG 4.36Å; F175-A222 HydrophobicContact CE1-CB 4.17Å; F175-A222 HydrophobicContact CZ-CB 3.89Å
176	C	97.3	Very high	95.2	Very high	21 Å²	21	47.8 Å²	47.8	14%	0.142	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.4	-65.4	0	0	0	0	112.1	K172 S173 G180 K225	K172-C176 PolarHBondContact O-N 3.1Å; K172-C176 PolarHBondContact O-SG 3.45Å; S173-C176 PolarHBondContact O-N 2.92Å; C176-G180 PolarHBondContact O-N 2.98Å; C176-K225 HydrophobicContact CB-CD 3.92Å; C176-K225 HydrophobicContact CB-CG 4.04Å
177	E	95.8	Very high	95.2	Very high	93 Å²	93	43 Å²	43	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-72.1	-37.4	-178.5	-171.7	59.8	-166.3	0	0	112.3	M95 S173 S174 F175 I179 G180 V181	M95-E177 HydrophobicContact CB-CG 4.43Å; M95-E177 HydrophobicContact CG-CG 4.35Å; S173-E177 WeakPolarHBondContact O-CB 3.4Å; S173-E177 PolarHBondContact O-N 2.94Å; S174-E177 PolarHBondContact O-N 3.29Å; F175-E177 VanDerWaalsContact C-N 3.34Å; F175-E177 PolarHBondContact O-N 3.47Å; E177-I179 PolarHBondContact O-N 3.17Å; E177-G180 PolarHBondContact O-N 3.5Å; E177-V181 HydrophobicContact CG-CG2 4.07Å; E177-V181 WeakPolarHBondContact O-CB 3.44Å; E177-V181 VanDerWaalsContact O-CG2 3.31Å; E177-V181 WeakPolarHBondContact O-CG2 3.46Å; E177-V181 PolarHBondContact O-N 3.33Å; E177-V181 VanDerWaalsContact OE1-CG2 3.23Å; E177-V181 WeakPolarHBondContact OE1-CG2 3.3Å
178	F	97.6	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-51.8	174.5	177	-100.9	0	0	0	111.6	L84 V88 M95 V98 V99 L117 F120 S174 F175 G180 V181 L182	L84-F178 HydrophobicContact CD1-CE2 4.05Å; L84-F178 HydrophobicContact CD1-CZ 4.19Å; L84-F178 HydrophobicContact CD2-CE1 4.3Å; L84-F178 HydrophobicContact CD2-CZ 3.82Å; L84-F178 HydrophobicContact CG-CZ 4.41Å; V88-F178 HydrophobicContact CG2-CB 4.44Å; V88-F178 HydrophobicContact CG2-CD2 4.19Å; V88-F178 HydrophobicContact CG2-CG 4.29Å; M95-F178 HydrophobicContact CG-CB 4.13Å; M95-F178 HydrophobicContact CG-CD2 4.47Å; M95-F178 HydrophobicContact SD-CB 3.7Å; M95-F178 HydrophobicContact SD-CD2 3.84Å; M95-F178 HydrophobicContact SD-CG 4.26Å; V98-F178 HydrophobicContact CG1-CE2 4.24Å; V99-F178 HydrophobicContact CG2-CD2 3.72Å; V99-F178 HydrophobicContact CG2-CE2 3.67Å; L117-F178 HydrophobicContact CD1-CE1 3.86Å; L117-F178 HydrophobicContact CD1-CZ 4.37Å; F120-F178 HydrophobicContact CD1-CD1 4.37Å; F120-F178 HydrophobicContact CD1-CE1 4.12Å; F120-F178 AromaticContact CE1-CD1 3.49Å; F120-F178 HydrophobicContact CE1-CD1 3.49Å; F120-F178 VanDerWaalsContact CE1-CD1 3.49Å; F120-F178 AromaticContact CE1-CE1 3.69Å; F120-F178 HydrophobicContact CE1-CE1 3.69Å; F120-F178 HydrophobicContact CE1-CG 4.49Å; F120-F178 AromaticContact CZ-CD1 3.62Å; F120-F178 HydrophobicContact CZ-CD1 3.62Å; F120-F178 HydrophobicContact CZ-CE1 4.08Å; F120-F178 HydrophobicContact CZ-CG 4.2Å; S174-F178 WeakPolarHBondContact O-CB 3.35Å; S174-F178 PolarHBondContact O-N 2.9Å; F175-F178 PolarHBondContact O-N 3.13Å; F178-G180 PolarHBondContact O-N 3.42Å; F178-V181 PolarHBondContact O-N 2.75Å; F178-L182 HydrophobicContact CE1-CD2 4.05Å; F178-L182 HydrophobicContact CZ-CD2 4.26Å; F178-L182 VanDerWaalsContact O-CB 3.26Å; F178-L182 WeakPolarHBondContact O-CB 3.22Å; F178-L182 PolarHBondContact O-N 2.87Å
179	I	97.6	Very high	95.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-45.5	179.4	-59.8	167	0	0	0	110.4	F121 F175 E177 V181 L182 V183 A222 K225 L226	F121-I179 HydrophobicContact CE1-CD1 3.85Å; F121-I179 HydrophobicContact CE1-CG1 4.1Å; F121-I179 HydrophobicContact CZ-CG1 4.42Å; F175-I179 HydrophobicContact CD1-CD1 4.32Å; F175-I179 HydrophobicContact CE1-CD1 3.98Å; F175-I179 HydrophobicContact CE2-CD1 4.21Å; F175-I179 HydrophobicContact CZ-CD1 3.94Å; F175-I179 WeakPolarHBondContact O-CG1 3.4Å; F175-I179 PolarHBondContact O-N 3.03Å; E177-I179 PolarHBondContact O-N 3.17Å; I179-V181 PolarHBondContact O-N 3.15Å; I179-L182 PolarHBondContact O-N 3.33Å; I179-V183 WeakPolarHBondContact O-CG2 3.43Å; I179-V183 PolarHBondContact O-N 3.47Å; I179-A222 HydrophobicContact CD1-CB 3.69Å; I179-K225 HydrophobicContact CG2-CB 4.3Å; I179-L226 HydrophobicContact CG2-CB 4.07Å
180	G	95.8	Very high	95.4	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-40.1	179	0	0	0	0	0	113.6	C176 E177 F178 R184	C176-G180 PolarHBondContact O-N 2.98Å; E177-G180 PolarHBondContact O-N 3.5Å; F178-G180 PolarHBondContact O-N 3.42Å; G180-R184 VanDerWaalsContact C-NH1 3.35Å; G180-R184 WeakPolarHBondContact O-CD 3.25Å; G180-R184 WeakPolarHBondContact O-CG 3.1Å; G180-R184 PolarHBondContact O-N 3.25Å; G180-R184 PolarHBondContact O-NE 2.87Å; G180-R184 PolarHBondContact O-NH1 2.96Å
181	V	96.8	Very high	95.5	Very high	17 Å²	17	35.2 Å²	35.2	10%	0.103	18%	0.179	C	C	.	.	H	α-helix	trans	-75.5	-39.5	178.9	176.9	0	0	0	0	111.4	Q96 V99 E177 F178 I179 V183 R184 Q185	Q96-V181 HydrophobicContact CB-CG1 4.11Å; Q96-V181 HydrophobicContact CG-CG1 4.33Å; V99-V181 HydrophobicContact CB-CG1 4.15Å; V99-V181 HydrophobicContact CG1-CG1 4.19Å; V99-V181 HydrophobicContact CG2-CB 4.2Å; V99-V181 HydrophobicContact CG2-CG1 4.01Å; E177-V181 HydrophobicContact CG-CG2 4.07Å; E177-V181 WeakPolarHBondContact O-CB 3.44Å; E177-V181 VanDerWaalsContact O-CG2 3.31Å; E177-V181 WeakPolarHBondContact O-CG2 3.46Å; E177-V181 PolarHBondContact O-N 3.33Å; E177-V181 VanDerWaalsContact OE1-CG2 3.23Å; E177-V181 WeakPolarHBondContact OE1-CG2 3.3Å; F178-V181 PolarHBondContact O-N 2.75Å; I179-V181 PolarHBondContact O-N 3.15Å; V181-V183 PolarHBondContact O-N 3.35Å; V181-R184 PolarHBondContact O-N 2.78Å; V181-Q185 HydrophobicContact CG1-CG 4.07Å; V181-Q185 WeakPolarHBondContact O-CG 3.33Å; V181-Q185 PolarHBondContact O-N 3.48Å
182	L	97.1	Very high	95.5	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-54	-53.7	178.1	176.6	57.4	0	0	0	112.5	V99 W102 I103 L117 F178 I179 R184 Q185 C186 M196	V99-L182 HydrophobicContact CG1-CB 4.37Å; V99-L182 HydrophobicContact CG1-CD1 4.17Å; V99-L182 HydrophobicContact CG2-CB 4.11Å; W102-L182 HydrophobicContact CD2-CD1 4.41Å; W102-L182 HydrophobicContact CE3-CD1 3.52Å; W102-L182 HydrophobicContact CZ3-CD1 3.68Å; I103-L182 HydrophobicContact CD1-CD1 4.39Å; I103-L182 HydrophobicContact CG1-CD1 4.26Å; L117-L182 HydrophobicContact CD1-CD2 4.17Å; L117-L182 HydrophobicContact CD2-CD2 4.1Å; F178-L182 HydrophobicContact CE1-CD2 4.05Å; F178-L182 HydrophobicContact CZ-CD2 4.26Å; F178-L182 VanDerWaalsContact O-CB 3.26Å; F178-L182 WeakPolarHBondContact O-CB 3.22Å; F178-L182 PolarHBondContact O-N 2.87Å; I179-L182 PolarHBondContact O-N 3.33Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 3.32Å; L182-Q185 PolarHBondContact O-N 2.87Å; L182-C186 PolarHBondContact O-N 2.96Å; L182-C186 PolarHBondContact O-SG 2.66Å; L182-M196 HydrophobicContact CD1-CE 4.1Å; L182-M196 HydrophobicContact CD2-CE 3.86Å; L182-M196 HydrophobicContact CG-CE 3.95Å
183	V	96.4	Very high	95.5	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-42.2	180	178.2	0	0	0	0	111	I179 V181 Q185 C186 Q187 I191 L226 A229 L230 V233	I179-V183 WeakPolarHBondContact O-CG2 3.43Å; I179-V183 PolarHBondContact O-N 3.47Å; V181-V183 PolarHBondContact O-N 3.35Å; V183-Q185 PolarHBondContact O-N 3.19Å; V183-C186 PolarHBondContact O-N 3.07Å; V183-Q187 PolarHBondContact O-N 2.84Å; V183-Q187 VanDerWaalsContact O-N 3.09Å; V183-I191 HydrophobicContact CG1-CD1 3.75Å; V183-L226 HydrophobicContact CG2-CD1 3.37Å; V183-A229 HydrophobicContact CB-CB 3.64Å; V183-A229 HydrophobicContact CG1-CB 3.69Å; V183-A229 HydrophobicContact CG2-CB 4.03Å; V183-L230 HydrophobicContact CG1-CD2 4.33Å; V183-L230 HydrophobicContact CG1-CG 4.48Å; V183-V233 HydrophobicContact CG1-CG2 4.35Å
184	R	93.4	Very high	95.4	Very high	70 Å²	70	40.6 Å²	40.6	26%	0.264	20%	0.195	S	C	.	.	H	α-helix	trans	-65.9	-37	178.6	-69.1	168.9	-163.4	134.4	0.2	112.5	G180 V181 L182 Q187	G180-R184 VanDerWaalsContact C-NH1 3.35Å; G180-R184 WeakPolarHBondContact O-CD 3.25Å; G180-R184 WeakPolarHBondContact O-CG 3.1Å; G180-R184 PolarHBondContact O-N 3.25Å; G180-R184 PolarHBondContact O-NE 2.87Å; G180-R184 PolarHBondContact O-NH1 2.96Å; V181-R184 PolarHBondContact O-N 2.78Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 3.32Å; R184-Q187 WeakPolarHBondContact O-CB 3.46Å; R184-Q187 VanDerWaalsContact O-CG 3.27Å; R184-Q187 WeakPolarHBondContact O-CG 3.29Å; R184-Q187 PolarHBondContact O-NE2 3.15Å
185	Q	95.4	Very high	95.3	Very high	75 Å²	75	43.2 Å²	43.2	35%	0.35	20%	0.203	S	C	.	.	H	α-helix	trans	-72.5	-31.3	175.5	-69.8	-66.9	89.3	0	0	111.9	V99 D100 I103 V181 L182 V183	V99-Q185 HydrophobicContact CG1-CB 3.85Å; V99-Q185 HydrophobicContact CG1-CG 3.8Å; D100-Q185 PolarHBondContact OD1-NE2 3.09Å; I103-Q185 HydrophobicContact CD1-CB 3.46Å; I103-Q185 VanDerWaalsContact CD1-CB 3.46Å; V181-Q185 HydrophobicContact CG1-CG 4.07Å; V181-Q185 WeakPolarHBondContact O-CG 3.33Å; V181-Q185 PolarHBondContact O-N 3.48Å; L182-Q185 PolarHBondContact O-N 2.87Å; V183-Q185 PolarHBondContact O-N 3.19Å
186	C	95.5	Very high	95.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-77.8	-14.3	176.1	-66.1	0	0	0	0	114.8	L182 V183 Y188 S189 I190 I191	L182-C186 PolarHBondContact O-N 2.96Å; L182-C186 PolarHBondContact O-SG 2.66Å; V183-C186 PolarHBondContact O-N 3.07Å; C186-Y188 PolarHBondContact O-N 2.78Å; C186-S189 PolarHBondContact O-N 3.38Å; C186-I190 HydrophobicContact CB-CB 4.01Å; C186-I190 HydrophobicContact CB-CG2 4.27Å; C186-I190 PolarHBondContact O-N 3.12Å; C186-I191 HydrophobicContact CB-CB 4.25Å; C186-I191 PolarHBondContact O-N 2.61Å
187	Q	92.2	Very high	95.2	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.075	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.1	-162.6	83.9	-176.7	-89.7	0	0	117.6	V183 R184 Y192 V233 N236	V183-Q187 PolarHBondContact O-N 2.84Å; V183-Q187 VanDerWaalsContact O-N 3.09Å; R184-Q187 WeakPolarHBondContact O-CB 3.46Å; R184-Q187 VanDerWaalsContact O-CG 3.27Å; R184-Q187 WeakPolarHBondContact O-CG 3.29Å; R184-Q187 PolarHBondContact O-NE2 3.15Å; Q187-Y192 VanDerWaalsContact O-CE2 3.22Å; Q187-Y192 WeakPolarHBondContact O-CE2 3.48Å; Q187-Y192 PolarHBondContact O-OH 3.13Å; Q187-V233 HydrophobicContact CB-CG1 4.07Å; Q187-V233 HydrophobicContact CB-CG2 3.62Å; Q187-N236 PolarHBondContact OE1-ND2 3.06Å
188	Y	91.8	Very high	95.1	Very high	172 Å²	172	42.5 Å²	42.5	68%	0.675	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	1.9	-177	-56.4	-55.8	0	0	0	114.1	C186	C186-Y188 PolarHBondContact O-N 2.78Å
189	S	93.1	Very high	95	Very high	76 Å²	76	43.6 Å²	43.6	53%	0.531	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-158	-77	178.1	48.7	0	0	0	0	112.9	C186 I191 Y192	C186-S189 PolarHBondContact O-N 3.38Å; S189-I191 PolarHBondContact O-N 3.38Å; S189-I191 VanDerWaalsContact O-N 3.1Å; S189-Y192 PolarHBondContact O-N 3.43Å
190	I	95.1	Very high	95	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.077	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56	-31.4	-172.5	-68.6	164.4	0	0	0	112.7	I103 Y106 C186 Y192 D193 M196	I103-I190 HydrophobicContact CG2-CD1 3.97Å; Y106-I190 HydrophobicContact CD1-CD1 3.99Å; Y106-I190 HydrophobicContact CD1-CG1 4.21Å; Y106-I190 HydrophobicContact CD1-CG2 3.92Å; Y106-I190 HydrophobicContact CE1-CG1 4.23Å; Y106-I190 HydrophobicContact CE1-CG2 3.59Å; C186-I190 HydrophobicContact CB-CB 4.01Å; C186-I190 HydrophobicContact CB-CG2 4.27Å; C186-I190 PolarHBondContact O-N 3.12Å; I190-Y192 PolarHBondContact O-N 3.04Å; I190-Y192 VanDerWaalsContact O-N 3.15Å; I190-D193 WeakPolarHBondContact O-CB 3.41Å; I190-D193 VanDerWaalsContact O-CG 3.23Å; I190-D193 PolarHBondContact O-N 3.22Å; I190-M196 HydrophobicContact CG2-CB 3.96Å; I190-M196 HydrophobicContact CG2-CG 3.9Å
191	I	95.9	Very high	95.1	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.6	179.6	-154.9	169	0	0	0	113.8	V183 C186 S189 M197 L230 V233 I281 M284	V183-I191 HydrophobicContact CG1-CD1 3.75Å; C186-I191 HydrophobicContact CB-CB 4.25Å; C186-I191 PolarHBondContact O-N 2.61Å; S189-I191 PolarHBondContact O-N 3.38Å; S189-I191 VanDerWaalsContact O-N 3.1Å; I191-M197 HydrophobicContact CG1-CG 3.73Å; I191-M197 HydrophobicContact CG1-SD 3.98Å; I191-L230 HydrophobicContact CD1-CD2 3.84Å; I191-V233 HydrophobicContact CD1-CG2 4.31Å; I191-I281 HydrophobicContact CD1-CD1 3.77Å; I191-I281 HydrophobicContact CG1-CD1 4.15Å; I191-I281 HydrophobicContact CG2-CD1 4.48Å; I191-M284 HydrophobicContact CG1-CE 4.5Å; I191-M284 WeakPolarHBondContact O-CE 3.43Å
192	Y	95.4	Very high	95.1	Very high	47 Å²	47	46.6 Å²	46.6	18%	0.184	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-110.5	26.5	179.5	-42.5	-80.6	0	0	0	112.1	Q187 S189 I190 N277 I281	Q187-Y192 VanDerWaalsContact O-CE2 3.22Å; Q187-Y192 WeakPolarHBondContact O-CE2 3.48Å; Q187-Y192 PolarHBondContact O-OH 3.13Å; S189-Y192 PolarHBondContact O-N 3.43Å; I190-Y192 PolarHBondContact O-N 3.04Å; I190-Y192 VanDerWaalsContact O-N 3.15Å; Y192-N277 HydrophobicContact CD1-CB 4.13Å; Y192-N277 HydrophobicContact CE1-CB 3.56Å; Y192-N277 WeakPolarHBondContact CE2-ND2 3.47Å; Y192-N277 VanDerWaalsContact CZ-ND2 3.34Å; Y192-I281 HydrophobicContact CE1-CD1 3.98Å; Y192-I281 HydrophobicContact CE1-CG1 3.89Å
193	D	94.9	Very high	95.1	Very high	31 Å²	31	46.2 Å²	46.2	17%	0.166	23%	0.226	C	C	.	.	S	Bend	trans	-95	13.1	-173.9	88.6	-12.3	0	0	0	115.6	Y106 R110 I190 Y195 M196	Y106-D193 VanDerWaalsContact CE1-OD2 3.23Å; Y106-D193 WeakPolarHBondContact CE1-OD2 3.26Å; Y106-D193 PolarHBondContact OH-OD1 3.42Å; Y106-D193 PolarHBondContact OH-OD2 3.39Å; R110-D193 IonicContact CZ-OD2 3.67Å; R110-D193 IonicContact NE-OD2 3.51Å; R110-D193 IonicContact NH1-OD2 3.42Å; R110-D193 IonicContact NH2-OD2 2.93Å; R110-D193 PolarHBondContact NH2-OD2 3.39Å; I190-D193 WeakPolarHBondContact O-CB 3.41Å; I190-D193 VanDerWaalsContact O-CG 3.23Å; I190-D193 PolarHBondContact O-N 3.22Å; D193-Y195 PolarHBondContact O-N 2.98Å; D193-Y195 VanDerWaalsContact O-N 3.1Å; D193-Y195 PolarHBondContact OD1-N 2.7Å; D193-M196 PolarHBondContact OD1-N 2.87Å
194	E	93.7	Very high	95.2	Very high	180 Å²	180	46.1 Å²	46.1	84%	0.841	23%	0.225	S	C	*	.	S	Bend	trans	54.5	22.3	178.3	-62.9	173.8	-146.3	0	0	113.9
195	Y	94.1	Very high	95.4	Very high	70 Å²	70	44.6 Å²	44.6	28%	0.275	22%	0.224	S	C	.	.	S	Bend	trans	-144.5	-49.9	-174	-168	-119.9	0	0	0	114.7	R110 L114 D193 T199	R110-Y195 HydrophobicContact CB-CD1 4.28Å; R110-Y195 HydrophobicContact CB-CE1 3.96Å; L114-Y195 HydrophobicContact CD1-CD1 3.68Å; L114-Y195 HydrophobicContact CD1-CE1 3.31Å; D193-Y195 PolarHBondContact O-N 2.98Å; D193-Y195 VanDerWaalsContact O-N 3.1Å; D193-Y195 PolarHBondContact OD1-N 2.7Å; Y195-T199 WeakPolarHBondContact O-CB 3.43Å; Y195-T199 PolarHBondContact O-N 3.2Å; Y195-T199 PolarHBondContact O-OG1 2.87Å
196	M	95.7	Very high	95.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-52.2	-173.9	-175.4	-86.9	-176.7	0	0	112.4	W102 Y106 L114 L117 L182 I190 D193 V200	W102-M196 HydrophobicContact CH2-CE 3.68Å; W102-M196 HydrophobicContact CH2-CG 4.06Å; W102-M196 HydrophobicContact CZ3-CE 3.82Å; Y106-M196 HydrophobicContact CE1-CB 4.43Å; Y106-M196 HydrophobicContact CE2-CB 4.27Å; Y106-M196 HydrophobicContact CE2-CG 4.36Å; L114-M196 HydrophobicContact CD2-CG 4.25Å; L117-M196 HydrophobicContact CD2-CE 4.15Å; L182-M196 HydrophobicContact CD1-CE 4.1Å; L182-M196 HydrophobicContact CD2-CE 3.86Å; L182-M196 HydrophobicContact CG-CE 3.95Å; I190-M196 HydrophobicContact CG2-CB 3.96Å; I190-M196 HydrophobicContact CG2-CG 3.9Å; D193-M196 PolarHBondContact OD1-N 2.87Å; M196-V200 WeakPolarHBondContact O-CG2 3.32Å; M196-V200 PolarHBondContact O-N 2.79Å
197	M	95.9	Very high	95.6	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-71.4	-43.2	-175.1	-70.9	-65.6	-56.6	0	0	112.2	I191 T199 V200 I201 L226 L230 M284	I191-M197 HydrophobicContact CG1-CG 3.73Å; I191-M197 HydrophobicContact CG1-SD 3.98Å; M197-T199 VanDerWaalsContact C-N 3.33Å; M197-T199 PolarHBondContact O-N 3.01Å; M197-V200 PolarHBondContact O-N 3.05Å; M197-V200 VanDerWaalsContact O-N 3.16Å; M197-I201 HydrophobicContact CB-CD1 4.48Å; M197-I201 HydrophobicContact CE-CD1 4.01Å; M197-I201 HydrophobicContact CE-CG1 4.47Å; M197-I201 WeakPolarHBondContact O-CB 3.25Å; M197-I201 WeakPolarHBondContact O-CG1 3.44Å; M197-I201 PolarHBondContact O-N 3.03Å; M197-L226 HydrophobicContact CE-CD1 3.68Å; M197-L226 HydrophobicContact CE-CG 4.32Å; M197-L226 HydrophobicContact SD-CD1 4.42Å; M197-L230 HydrophobicContact CE-CD1 4.04Å; M197-L230 HydrophobicContact CE-CD2 3.94Å; M197-L230 HydrophobicContact CE-CG 4.29Å; M197-M284 HydrophobicContact CB-SD 3.54Å; M197-M284 VanDerWaalsContact CB-SD 3.54Å; M197-M284 HydrophobicContact CE-SD 3.72Å; M197-M284 HydrophobicContact CG-SD 3.65Å
198	D	94.6	Very high	95.9	Very high	90 Å²	90	41.9 Å²	41.9	48%	0.481	22%	0.219	S	C	.	.	H	α-helix	trans	-58.9	-43.4	178.7	-78.3	30.2	0	0	0	112.1	V200 S202	D198-V200 PolarHBondContact O-N 3.32Å; D198-S202 WeakPolarHBondContact O-CB 3.49Å; D198-S202 PolarHBondContact O-N 3.06Å
199	T	95.1	Very high	96.1	Very high	24 Å²	24	39.2 Å²	39.2	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-46.8	175.9	-58.2	0	0	0	0	111.1	L114 I118 F136 Y195 M197 L203	L114-T199 HydrophobicContact CD1-CG2 4.23Å; I118-T199 HydrophobicContact CD1-CG2 4.14Å; F136-T199 HydrophobicContact CE2-CG2 3.89Å; F136-T199 HydrophobicContact CZ-CG2 4.27Å; Y195-T199 WeakPolarHBondContact O-CB 3.43Å; Y195-T199 PolarHBondContact O-N 3.2Å; Y195-T199 PolarHBondContact O-OG1 2.87Å; M197-T199 VanDerWaalsContact C-N 3.33Å; M197-T199 PolarHBondContact O-N 3.01Å; T199-L203 WeakPolarHBondContact O-CB 3.08Å; T199-L203 PolarHBondContact O-N 2.71Å; T199-L203 VanDerWaalsContact O-N 3.08Å
200	V	96.8	Very high	96.3	Very high	10 Å²	10	36.3 Å²	36.3	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-46.2	-179.5	173	0	0	0	0	111.8	L117 F121 M196 M197 D198 L203 L204 L226	L117-V200 HydrophobicContact CD2-CG2 3.62Å; L117-V200 HydrophobicContact CG-CG2 4.42Å; F121-V200 HydrophobicContact CE2-CG1 3.94Å; F121-V200 HydrophobicContact CZ-CG1 4.3Å; M196-V200 WeakPolarHBondContact O-CG2 3.32Å; M196-V200 PolarHBondContact O-N 2.79Å; M197-V200 PolarHBondContact O-N 3.05Å; M197-V200 VanDerWaalsContact O-N 3.16Å; D198-V200 PolarHBondContact O-N 3.32Å; V200-L203 PolarHBondContact O-N 3.3Å; V200-L204 HydrophobicContact CG1-CD1 3.77Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 WeakPolarHBondContact O-CB 3.05Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.36Å; V200-L204 PolarHBondContact O-N 2.89Å; V200-L226 HydrophobicContact CG1-CD2 3.96Å
201	I	97.6	Very high	96.4	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-42.1	179.9	-68.3	171	0	0	0	110.5	M197 L204 T205 L226 M284 A287 I288	M197-I201 HydrophobicContact CB-CD1 4.48Å; M197-I201 HydrophobicContact CE-CD1 4.01Å; M197-I201 HydrophobicContact CE-CG1 4.47Å; M197-I201 WeakPolarHBondContact O-CB 3.25Å; M197-I201 WeakPolarHBondContact O-CG1 3.44Å; M197-I201 PolarHBondContact O-N 3.03Å; I201-L204 PolarHBondContact O-N 3.33Å; I201-T205 VanDerWaalsContact O-CB 3.24Å; I201-T205 WeakPolarHBondContact O-CB 3.49Å; I201-T205 PolarHBondContact O-N 3.05Å; I201-T205 PolarHBondContact O-OG1 3.11Å; I201-L226 HydrophobicContact CG1-CD2 3.93Å; I201-M284 HydrophobicContact CD1-CB 3.8Å; I201-M284 HydrophobicContact CD1-CG 3.86Å; I201-M284 HydrophobicContact CD1-SD 4.43Å; I201-A287 HydrophobicContact CG2-CB 4.1Å; I201-I288 HydrophobicContact CD1-CD1 4.13Å; I201-I288 HydrophobicContact CD1-CG1 4.19Å; I201-I288 HydrophobicContact CG1-CD1 4.09Å; I201-I288 HydrophobicContact CG1-CG1 4.03Å; I201-I288 HydrophobicContact CG2-CG1 4.06Å
202	S	97.1	Very high	96.4	Very high	66 Å²	66	46.2 Å²	46.2	46%	0.462	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-46.4	176.2	-178	0	0	0	0	111.9	N141 D198 G206	N141-S202 PolarHBondContact ND2-OG 3.36Å; D198-S202 WeakPolarHBondContact O-CB 3.49Å; D198-S202 PolarHBondContact O-N 3.06Å; S202-G206 PolarHBondContact O-N 3.47Å
203	L	97.1	Very high	96.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-51.8	176.4	179.5	74.4	0	0	0	111.5	I118 F121 N141 T199 V200 T205 G206 L207	I118-L203 HydrophobicContact CB-CD2 4.19Å; I118-L203 HydrophobicContact CG1-CD2 4.08Å; I118-L203 HydrophobicContact CG2-CD1 4.42Å; I118-L203 HydrophobicContact CG2-CD2 3.95Å; F121-L203 HydrophobicContact CB-CD2 4.38Å; F121-L203 HydrophobicContact CD2-CD2 4.28Å; N141-L203 PolarHBondContact ND2-N 3.29Å; T199-L203 WeakPolarHBondContact O-CB 3.08Å; T199-L203 PolarHBondContact O-N 2.71Å; T199-L203 VanDerWaalsContact O-N 3.08Å; V200-L203 PolarHBondContact O-N 3.3Å; L203-T205 VanDerWaalsContact C-N 3.3Å; L203-T205 PolarHBondContact O-N 3.35Å; L203-G206 PolarHBondContact O-N 3.24Å; L203-L207 HydrophobicContact CD1-CD1 4.15Å; L203-L207 HydrophobicContact CD1-CG 4.35Å; L203-L207 HydrophobicContact CD2-CD1 4.16Å; L203-L207 HydrophobicContact CG-CD1 3.78Å; L203-L207 HydrophobicContact CG-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.43Å; L203-L207 PolarHBondContact O-N 3.02Å
204	L	98.1	Very high	96.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-35.5	-175.7	-69.4	-180	0	0	0	112	F121 V200 I201 S208 A222 A223 L226	F121-L204 HydrophobicContact CB-CD2 4.42Å; F121-L204 HydrophobicContact CD1-CD2 3.98Å; F121-L204 HydrophobicContact CD2-CD2 4.23Å; F121-L204 HydrophobicContact CE1-CD2 4.27Å; F121-L204 HydrophobicContact CG-CD2 3.97Å; F121-L204 HydrophobicContact CZ-CD1 4.33Å; V200-L204 HydrophobicContact CG1-CD1 3.77Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 WeakPolarHBondContact O-CB 3.05Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.36Å; V200-L204 PolarHBondContact O-N 2.89Å; I201-L204 PolarHBondContact O-N 3.33Å; L204-S208 VanDerWaalsContact O-CB 3.28Å; L204-S208 WeakPolarHBondContact O-CB 3.41Å; L204-S208 PolarHBondContact O-N 3.11Å; L204-S208 PolarHBondContact O-OG 2.81Å; L204-A222 HydrophobicContact CD1-CB 3.91Å; L204-A222 HydrophobicContact CD2-CB 3.76Å; L204-A223 HydrophobicContact CB-CB 4.43Å; L204-L226 HydrophobicContact CD1-CD2 3.85Å
205	T	98.2	Very high	96.8	Very high	38 Å²	38	40.7 Å²	40.7	23%	0.233	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-49.6	173.6	-56.3	0	0	0	0	110.6	I201 L203 L207 S208 D209 V292	I201-T205 VanDerWaalsContact O-CB 3.24Å; I201-T205 WeakPolarHBondContact O-CB 3.49Å; I201-T205 PolarHBondContact O-N 3.05Å; I201-T205 PolarHBondContact O-OG1 3.11Å; L203-T205 VanDerWaalsContact C-N 3.3Å; L203-T205 PolarHBondContact O-N 3.35Å; T205-L207 PolarHBondContact O-N 3.13Å; T205-S208 PolarHBondContact O-N 2.86Å; T205-S208 VanDerWaalsContact O-N 3.08Å; T205-S208 PolarHBondContact O-OG 3.17Å; T205-D209 PolarHBondContact O-N 3.27Å; T205-V292 HydrophobicContact CG2-CG2 4.39Å
206	G	97.3	Very high	97	Very high	30 Å²	30	38.8 Å²	38.8	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-44.3	176.6	0	0	0	0	0	113.4	S202 L203 S208 D209 S210	S202-G206 PolarHBondContact O-N 3.47Å; L203-G206 PolarHBondContact O-N 3.24Å; G206-S208 PolarHBondContact O-N 3Å; G206-D209 PolarHBondContact O-N 2.98Å; G206-S210 PolarHBondContact O-N 2.97Å
207	L	97.6	Very high	97.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-33.8	175	-74.1	169.3	0	0	0	111.7	I122 I145 L203 T205 D209 S210 F215 R216 S219	I122-L207 HydrophobicContact CD1-CD1 4.19Å; I122-L207 HydrophobicContact CD1-CD2 3.84Å; I145-L207 HydrophobicContact CD1-CD2 4.03Å; I145-L207 HydrophobicContact CD1-CG 3.96Å; I145-L207 HydrophobicContact CG1-CD2 3.71Å; I145-L207 HydrophobicContact CG1-CG 4.13Å; I145-L207 HydrophobicContact CG2-CD2 4.23Å; L203-L207 HydrophobicContact CD1-CD1 4.15Å; L203-L207 HydrophobicContact CD1-CG 4.35Å; L203-L207 HydrophobicContact CD2-CD1 4.16Å; L203-L207 HydrophobicContact CG-CD1 3.78Å; L203-L207 HydrophobicContact CG-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CB 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.43Å; L203-L207 PolarHBondContact O-N 3.02Å; T205-L207 PolarHBondContact O-N 3.13Å; L207-D209 VanDerWaalsContact C-N 3.26Å; L207-D209 PolarHBondContact O-N 2.89Å; L207-S210 VanDerWaalsContact O-CB 3.24Å; L207-S210 WeakPolarHBondContact O-CB 3.5Å; L207-S210 PolarHBondContact O-N 3.32Å; L207-F215 HydrophobicContact CD2-CB 3.85Å; L207-F215 HydrophobicContact CD2-CD1 3.71Å; L207-F215 HydrophobicContact CD2-CD2 4.33Å; L207-F215 HydrophobicContact CD2-CE1 4.39Å; L207-F215 HydrophobicContact CD2-CG 3.72Å; L207-R216 WeakPolarHBondContact O-CA 3.43Å; L207-S219 WeakPolarHBondContact CB-OG 3.4Å; L207-S219 PolarHBondContact O-OG 3.03Å
208	S	98.3	Very high	97.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-74.8	-11.2	179.5	80.7	0	0	0	0	114.5	L204 T205 G206 R216 S219 R296	L204-S208 VanDerWaalsContact O-CB 3.28Å; L204-S208 WeakPolarHBondContact O-CB 3.41Å; L204-S208 PolarHBondContact O-N 3.11Å; L204-S208 PolarHBondContact O-OG 2.81Å; T205-S208 PolarHBondContact O-N 2.86Å; T205-S208 VanDerWaalsContact O-N 3.08Å; T205-S208 PolarHBondContact O-OG 3.17Å; G206-S208 PolarHBondContact O-N 3Å; S208-R216 WeakPolarHBondContact O-CD 3.23Å; S208-R216 VanDerWaalsContact O-CG 3.29Å; S208-R216 WeakPolarHBondContact O-CG 3.06Å; S208-S219 VanDerWaalsContact CA-OG 3.28Å; S208-S219 WeakPolarHBondContact CA-OG 3.31Å; S208-S219 PolarHBondContact N-OG 3.22Å; S208-R296 WeakPolarHBondContact O-CD 3.38Å; S208-R296 PolarHBondContact O-NE 2.96Å
209	D	97.4	Very high	97.5	Very high	116 Å²	116	34.2 Å²	34.2	62%	0.62	18%	0.184	S	C	*	.	H	α-helix	trans	-99.3	-4.7	170.2	-153.7	48.9	0	0	0	112.7	T205 G206 L207 Q211 R296	T205-D209 PolarHBondContact O-N 3.27Å; G206-D209 PolarHBondContact O-N 2.98Å; L207-D209 VanDerWaalsContact C-N 3.26Å; L207-D209 PolarHBondContact O-N 2.89Å; D209-Q211 PolarHBondContact O-N 3.27Å; D209-R296 IonicContact OD1-NH2 2.75Å
210	S	97.1	Very high	97.7	Very high	16 Å²	16	33.1 Å²	33.1	11%	0.112	18%	0.177	C	C	.	.			trans	-62.5	137.4	177	-173.1	0	0	0	0	112	G206 L207 V212 R216	G206-S210 PolarHBondContact O-N 2.97Å; L207-S210 VanDerWaalsContact O-CB 3.24Å; L207-S210 WeakPolarHBondContact O-CB 3.5Å; L207-S210 PolarHBondContact O-N 3.32Å; S210-V212 PolarHBondContact O-N 2.6Å; S210-V212 PolarHBondContact OG-N 3.02Å; S210-R216 WeakPolarHBondContact O-CD 3.45Å; S210-R216 PolarHBondContact O-NH1 3.46Å
211	Q	95.6	Very high	97.8	Very high	187 Å²	187	33 Å²	33	87%	0.874	18%	0.176	S	C	*	.	S	Bend	trans	-65.1	-27.5	173.1	-65	-175.3	-4.2	0	0	111.8	D209 R213 R216	D209-Q211 PolarHBondContact O-N 3.27Å; Q211-R213 PolarHBondContact O-N 3.14Å; Q211-R213 VanDerWaalsContact O-N 3.15Å; Q211-R216 PolarHBondContact O-NH1 3.32Å
212	V	96.7	Very high	97.8	Very high	39 Å²	39	32.4 Å²	32.4	24%	0.236	17%	0.173	C	C	.	.			trans	-61.9	112.8	176.6	-176.9	0	0	0	0	110.1	T149 F152 S210 A214 F215 R216	T149-V212 HydrophobicContact CG2-CG2 3.57Å; F152-V212 HydrophobicContact CE2-CG1 4.19Å; S210-V212 PolarHBondContact O-N 2.6Å; S210-V212 PolarHBondContact OG-N 3.02Å; V212-A214 VanDerWaalsContact C-N 3.26Å; V212-A214 HydrophobicContact CG1-CB 4.25Å; V212-A214 PolarHBondContact O-N 2.85Å; V212-F215 HydrophobicContact CB-CB 4.4Å; V212-F215 HydrophobicContact CB-CD2 3.78Å; V212-F215 HydrophobicContact CB-CG 4.48Å; V212-F215 HydrophobicContact CG1-CB 4.48Å; V212-F215 HydrophobicContact CG1-CD2 3.76Å; V212-F215 HydrophobicContact CG1-CE2 4.33Å; V212-F215 HydrophobicContact CG1-CG 4.32Å; V212-F215 HydrophobicContact CG2-CD2 4.14Å; V212-F215 PolarHBondContact O-N 2.73Å; V212-R216 WeakPolarHBondContact O-CB 3.5Å; V212-R216 PolarHBondContact O-N 2.9Å
213	R	97.4	Very high	97.9	Very high	134 Å²	134	29.3 Å²	29.3	51%	0.506	15%	0.151	S	C	.	.	H	α-helix	trans	-57	-39.9	-176.7	-168.7	-170.9	-63.4	-179.9	1.7	112.5	Y159 Q211 R216 H217 I301	Y159-R213 HydrophobicContact CE1-CG 4.47Å; Y159-R213 WeakPolarHBondContact OH-CG 3.49Å; Q211-R213 PolarHBondContact O-N 3.14Å; Q211-R213 VanDerWaalsContact O-N 3.15Å; R213-R216 PolarHBondContact O-N 2.91Å; R213-H217 VanDerWaalsContact O-CB 3.3Å; R213-H217 WeakPolarHBondContact O-CB 3.47Å; R213-H217 PolarHBondContact O-N 2.99Å; R213-I301 HydrophobicContact CG-CG1 4.18Å
214	A	97.8	Very high	97.9	Very high	8 Å²	8	29.3 Å²	29.3	7%	0.066	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-49.5	-176.7	0	0	0	0	0	112.3	S125 F152 Y159 V212 T218	S125-A214 WeakPolarHBondContact O-CB 3.38Å; F152-A214 HydrophobicContact CE2-CB 4.13Å; F152-A214 HydrophobicContact CZ-CB 3.76Å; Y159-A214 HydrophobicContact CD1-CB 3.73Å; Y159-A214 HydrophobicContact CD2-CB 3.96Å; Y159-A214 HydrophobicContact CE1-CB 4.25Å; Y159-A214 HydrophobicContact CE2-CB 4.43Å; Y159-A214 HydrophobicContact CG-CB 3.57Å; V212-A214 VanDerWaalsContact C-N 3.26Å; V212-A214 HydrophobicContact CG1-CB 4.25Å; V212-A214 PolarHBondContact O-N 2.85Å; A214-T218 WeakPolarHBondContact O-CB 3.44Å; A214-T218 PolarHBondContact O-N 2.95Å; A214-T218 PolarHBondContact O-OG1 3.43Å
215	F	98.3	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-53.3	171.2	-70.9	-43.5	0	0	0	111.1	I122 S125 C127 M148 F152 L207 V212 H217 T218 S219	I122-F215 HydrophobicContact CD1-CD1 4.33Å; I122-F215 HydrophobicContact CD1-CE1 3.84Å; I122-F215 HydrophobicContact CD1-CZ 4.43Å; I122-F215 HydrophobicContact CG2-CE1 4.2Å; S125-F215 VanDerWaalsContact CB-CD1 3.48Å; C127-F215 HydrophobicContact CB-CE1 3.75Å; C127-F215 HydrophobicContact CB-CZ 3.78Å; M148-F215 HydrophobicContact CB-CE2 4.33Å; M148-F215 HydrophobicContact CB-CZ 3.78Å; M148-F215 WeakPolarHBondContact O-CZ 3.27Å; F152-F215 HydrophobicContact CD2-CE1 4.23Å; F152-F215 AromaticContact CD2-CE2 3.69Å; F152-F215 HydrophobicContact CD2-CE2 3.69Å; F152-F215 AromaticContact CD2-CZ 3.5Å; F152-F215 HydrophobicContact CD2-CZ 3.5Å; F152-F215 HydrophobicContact CE2-CD1 4.38Å; F152-F215 HydrophobicContact CE2-CD2 4.35Å; F152-F215 AromaticContact CE2-CE1 3.91Å; F152-F215 HydrophobicContact CE2-CE1 3.91Å; F152-F215 AromaticContact CE2-CE2 3.89Å; F152-F215 HydrophobicContact CE2-CE2 3.89Å; F152-F215 AromaticContact CE2-CZ 3.63Å; F152-F215 HydrophobicContact CE2-CZ 3.63Å; L207-F215 HydrophobicContact CD2-CB 3.85Å; L207-F215 HydrophobicContact CD2-CD1 3.71Å; L207-F215 HydrophobicContact CD2-CD2 4.33Å; L207-F215 HydrophobicContact CD2-CE1 4.39Å; L207-F215 HydrophobicContact CD2-CG 3.72Å; V212-F215 HydrophobicContact CB-CB 4.4Å; V212-F215 HydrophobicContact CB-CD2 3.78Å; V212-F215 HydrophobicContact CB-CG 4.48Å; V212-F215 HydrophobicContact CG1-CB 4.48Å; V212-F215 HydrophobicContact CG1-CD2 3.76Å; V212-F215 HydrophobicContact CG1-CE2 4.33Å; V212-F215 HydrophobicContact CG1-CG 4.32Å; V212-F215 HydrophobicContact CG2-CD2 4.14Å; V212-F215 PolarHBondContact O-N 2.73Å; F215-H217 PolarHBondContact O-N 2.85Å; F215-T218 PolarHBondContact O-N 2.97Å; F215-S219 WeakPolarHBondContact O-CB 3.26Å; F215-S219 PolarHBondContact O-N 3.12Å; F215-S219 PolarHBondContact O-OG 2.8Å
216	R	98.5	Very high	98	Very high	29 Å²	29	29.9 Å²	29.9	11%	0.109	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-45.1	-172.8	-173.2	164.2	79.9	-99.4	1.4	113.8	L207 S208 S210 Q211 V212 R213 S219 T220 D299 I304	L207-R216 WeakPolarHBondContact O-CA 3.43Å; S208-R216 WeakPolarHBondContact O-CD 3.23Å; S208-R216 VanDerWaalsContact O-CG 3.29Å; S208-R216 WeakPolarHBondContact O-CG 3.06Å; S210-R216 WeakPolarHBondContact O-CD 3.45Å; S210-R216 PolarHBondContact O-NH1 3.46Å; Q211-R216 PolarHBondContact O-NH1 3.32Å; V212-R216 WeakPolarHBondContact O-CB 3.5Å; V212-R216 PolarHBondContact O-N 2.9Å; R213-R216 PolarHBondContact O-N 2.91Å; R216-S219 PolarHBondContact O-OG 2.77Å; R216-T220 VanDerWaalsContact O-CB 3.31Å; R216-T220 WeakPolarHBondContact O-CB 3.42Å; R216-T220 PolarHBondContact O-N 2.96Å; R216-T220 PolarHBondContact O-OG1 3.11Å; R216-D299 WeakPolarHBondContact CD-OD2 3.28Å; R216-D299 IonicContact CZ-OD1 3.29Å; R216-D299 IonicContact CZ-OD2 2.75Å; R216-D299 IonicContact NE-OD1 3.09Å; R216-D299 IonicContact NE-OD2 3.12Å; R216-D299 PolarHBondContact NE-OD2 3.2Å; R216-D299 IonicContact NH2-OD1 3.98Å; R216-D299 PolarHBondContact NH2-OD1 2.93Å; R216-D299 IonicContact NH2-OD2 3.73Å; R216-I304 HydrophobicContact CG-CD1 4.29Å
217	H	98.6	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-49.6	175.9	-177.6	176.2	0	0	0	110.1	Y159 R213 F215 S219 T220 L221 E303 I304 I307	Y159-H217 HydrophobicContact CE2-CB 3.89Å; Y159-H217 AromaticContact CE2-CG 3.97Å; Y159-H217 AromaticContact CE2-ND1 3.62Å; Y159-H217 AromaticContact CZ-ND1 3.69Å; Y159-H217 WeakPolarHBondContact OH-CB 3.3Å; Y159-H217 PolarHBondContact OH-ND1 3.35Å; R213-H217 VanDerWaalsContact O-CB 3.3Å; R213-H217 WeakPolarHBondContact O-CB 3.47Å; R213-H217 PolarHBondContact O-N 2.99Å; F215-H217 PolarHBondContact O-N 2.85Å; H217-S219 PolarHBondContact O-N 3.22Å; H217-T220 PolarHBondContact O-N 3.09Å; H217-L221 PolarHBondContact O-N 2.76Å; H217-E303 IonicContact CE1-OE2 3.21Å; H217-E303 PolarHBondContact CE1-OE2 2.69Å; H217-E303 IonicContact ND1-OE2 3.96Å; H217-I304 HydrophobicContact CB-CD1 3.88Å; H217-I304 HydrophobicContact CB-CG1 4Å; H217-I307 WeakPolarHBondContact NE2-CD1 3.4Å
218	T	98.6	Very high	98.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-43.5	-175.5	-49	0	0	0	0	112.1	C124 S125 L161 F175 A214 F215 L221 A222	C124-T218 HydrophobicContact CB-CG2 3.97Å; S125-T218 WeakPolarHBondContact OG-CB 3.1Å; L161-T218 HydrophobicContact CD1-CG2 4.17Å; F175-T218 HydrophobicContact CE1-CG2 4.18Å; F175-T218 HydrophobicContact CZ-CG2 3.79Å; A214-T218 WeakPolarHBondContact O-CB 3.44Å; A214-T218 PolarHBondContact O-N 2.95Å; A214-T218 PolarHBondContact O-OG1 3.43Å; F215-T218 PolarHBondContact O-N 2.97Å; T218-L221 PolarHBondContact O-N 2.89Å; T218-A222 WeakPolarHBondContact O-CB 3.41Å; T218-A222 PolarHBondContact O-N 3.35Å
219	S	98.5	Very high	98	Very high	3 Å²	3	29 Å²	29	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-71.2	-34.7	177.8	64.8	0	0	0	0	112.9	L207 S208 F215 R216 H217 A222 A223	L207-S219 WeakPolarHBondContact CB-OG 3.4Å; L207-S219 PolarHBondContact O-OG 3.03Å; S208-S219 VanDerWaalsContact CA-OG 3.28Å; S208-S219 WeakPolarHBondContact CA-OG 3.31Å; S208-S219 PolarHBondContact N-OG 3.22Å; F215-S219 WeakPolarHBondContact O-CB 3.26Å; F215-S219 PolarHBondContact O-N 3.12Å; F215-S219 PolarHBondContact O-OG 2.8Å; R216-S219 PolarHBondContact O-OG 2.77Å; H217-S219 PolarHBondContact O-N 3.22Å; S219-A222 PolarHBondContact O-N 3.42Å; S219-A223 WeakPolarHBondContact O-CB 3.48Å; S219-A223 PolarHBondContact O-N 3.27Å
220	T	98.8	Very high	98.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-46.5	171.8	-63	0	0	0	0	110.7	R216 H217 A222 A223 M224 V292 R296 I304	R216-T220 VanDerWaalsContact O-CB 3.31Å; R216-T220 WeakPolarHBondContact O-CB 3.42Å; R216-T220 PolarHBondContact O-N 2.96Å; R216-T220 PolarHBondContact O-OG1 3.11Å; H217-T220 PolarHBondContact O-N 3.09Å; T220-A222 VanDerWaalsContact C-N 3.31Å; T220-A222 PolarHBondContact O-N 2.87Å; T220-A223 PolarHBondContact O-N 3.19Å; T220-M224 HydrophobicContact CG2-CG 4.15Å; T220-M224 VanDerWaalsContact O-CG 3.29Å; T220-M224 WeakPolarHBondContact O-CG 3.5Å; T220-M224 PolarHBondContact O-N 3.3Å; T220-V292 HydrophobicContact CG2-CG1 4.29Å; T220-R296 HydrophobicContact CG2-CB 3.8Å; T220-R296 HydrophobicContact CG2-CG 4.18Å; T220-R296 WeakPolarHBondContact OG1-CG 3.31Å; T220-I304 HydrophobicContact CG2-CG2 3.91Å
221	L	98.6	Very high	98.1	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-44.5	175.6	-179.2	59.6	0	0	0	111.5	L161 K172 F175 H217 T218 K225 I307	L161-L221 HydrophobicContact CD1-CB 4.49Å; L161-L221 HydrophobicContact CD1-CD2 3.78Å; L161-L221 HydrophobicContact CD2-CD2 3.85Å; K172-L221 HydrophobicContact CG-CD2 4.22Å; F175-L221 HydrophobicContact CD1-CD2 4.21Å; F175-L221 HydrophobicContact CE1-CD2 4.3Å; F175-L221 HydrophobicContact CE1-CG 4.36Å; H217-L221 PolarHBondContact O-N 2.76Å; T218-L221 PolarHBondContact O-N 2.89Å; L221-K225 HydrophobicContact CD1-CG 4.34Å; L221-K225 VanDerWaalsContact O-CG 3.3Å; L221-K225 WeakPolarHBondContact O-CG 3.37Å; L221-K225 PolarHBondContact O-N 3.2Å; L221-K225 VanDerWaalsContact O-N 3.1Å; L221-I307 HydrophobicContact CB-CD1 4.38Å; L221-I307 HydrophobicContact CB-CG2 4.46Å; L221-I307 HydrophobicContact CD1-CD1 4.21Å; L221-I307 HydrophobicContact CD1-CG1 4.34Å; L221-I307 HydrophobicContact CD1-CG2 3.92Å
222	A	98.6	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-48.4	176	0	0	0	0	0	112.4	F121 F175 I179 L204 T218 S219 T220 M224 K225 L226	F121-A222 HydrophobicContact CD1-CB 4.09Å; F121-A222 HydrophobicContact CE1-CB 3.8Å; F175-A222 HydrophobicContact CE1-CB 4.17Å; F175-A222 HydrophobicContact CZ-CB 3.89Å; I179-A222 HydrophobicContact CD1-CB 3.69Å; L204-A222 HydrophobicContact CD1-CB 3.91Å; L204-A222 HydrophobicContact CD2-CB 3.76Å; T218-A222 WeakPolarHBondContact O-CB 3.41Å; T218-A222 PolarHBondContact O-N 3.35Å; S219-A222 PolarHBondContact O-N 3.42Å; T220-A222 VanDerWaalsContact C-N 3.31Å; T220-A222 PolarHBondContact O-N 2.87Å; A222-M224 PolarHBondContact O-N 3.2Å; A222-K225 PolarHBondContact O-N 2.92Å; A222-L226 VanDerWaalsContact O-CB 3.24Å; A222-L226 WeakPolarHBondContact O-CB 3.09Å; A222-L226 PolarHBondContact O-N 3.02Å
223	A	98.6	Very high	98.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-64.3	-38.9	-179.3	0	0	0	0	0	112.5	L204 S219 T220 L226 M227 I288 V292	L204-A223 HydrophobicContact CB-CB 4.43Å; S219-A223 WeakPolarHBondContact O-CB 3.48Å; S219-A223 PolarHBondContact O-N 3.27Å; T220-A223 PolarHBondContact O-N 3.19Å; A223-L226 WeakPolarHBondContact O-CB 3.24Å; A223-L226 PolarHBondContact O-N 2.85Å; A223-M227 WeakPolarHBondContact O-CB 3.33Å; A223-M227 PolarHBondContact O-N 3.11Å; A223-I288 HydrophobicContact CB-CG2 4.1Å; A223-V292 HydrophobicContact CB-CB 4.35Å; A223-V292 HydrophobicContact CB-CG1 4.05Å; A223-V292 HydrophobicContact CB-CG2 4.06Å
224	M	98.6	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-70	-37.5	176.6	-58	-59.1	87.8	0	0	111.5	T220 A222 M227 T228 I288 V292 F293 I307 C308 E311 W315	T220-M224 HydrophobicContact CG2-CG 4.15Å; T220-M224 VanDerWaalsContact O-CG 3.29Å; T220-M224 WeakPolarHBondContact O-CG 3.5Å; T220-M224 PolarHBondContact O-N 3.3Å; A222-M224 PolarHBondContact O-N 3.2Å; M224-M227 WeakPolarHBondContact O-CB 3.2Å; M224-M227 PolarHBondContact O-N 2.78Å; M224-T228 PolarHBondContact O-N 3.09Å; M224-T228 PolarHBondContact O-OG1 3.37Å; M224-I288 HydrophobicContact CE-CG2 3.85Å; M224-V292 HydrophobicContact CE-CB 3.99Å; M224-V292 HydrophobicContact CE-CG1 3.78Å; M224-F293 HydrophobicContact CE-CB 4.15Å; M224-F293 HydrophobicContact SD-CB 4.16Å; M224-F293 HydrophobicContact SD-CD2 3.89Å; M224-I307 HydrophobicContact CB-CG2 4.47Å; M224-I307 HydrophobicContact CG-CG2 4.16Å; M224-C308 HydrophobicContact SD-CB 4.46Å; M224-E311 HydrophobicContact CB-CB 3.87Å; M224-E311 HydrophobicContact CB-CG 3.69Å; M224-W315 HydrophobicContact CB-CZ2 4.47Å; M224-W315 HydrophobicContact SD-CH2 3.8Å; M224-W315 HydrophobicContact SD-CZ2 4.01Å
225	K	98.4	Very high	98.1	Very high	49 Å²	49	9.2 Å²	9.2	21%	0.213	5%	0.046	C	C	.	.	H	α-helix	trans	-68.3	-35.8	173.6	-66.3	-68.4	171	-165.8	0	112.8	C176 I179 L221 A222 T228 A229 E311	C176-K225 HydrophobicContact CB-CD 3.92Å; C176-K225 HydrophobicContact CB-CG 4.04Å; I179-K225 HydrophobicContact CG2-CB 4.3Å; L221-K225 HydrophobicContact CD1-CG 4.34Å; L221-K225 VanDerWaalsContact O-CG 3.3Å; L221-K225 WeakPolarHBondContact O-CG 3.37Å; L221-K225 PolarHBondContact O-N 3.2Å; L221-K225 VanDerWaalsContact O-N 3.1Å; A222-K225 PolarHBondContact O-N 2.92Å; K225-T228 PolarHBondContact O-N 3.25Å; K225-A229 PolarHBondContact O-N 2.89Å; K225-E311 WeakPolarHBondContact CD-OE2 3.34Å; K225-E311 WeakPolarHBondContact CE-OE1 3.46Å; K225-E311 IonicContact NZ-OE1 3.8Å; K225-E311 PolarHBondContact NZ-OE1 3.4Å; K225-E311 IonicContact NZ-OE2 2.8Å; K225-E311 PolarHBondContact NZ-OE2 3.36Å
226	L	98.2	Very high	98	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-47.6	171.5	-179.3	59.2	0	0	0	111	I179 V183 M197 V200 I201 L204 A222 A223 A229 L230 I288	I179-L226 HydrophobicContact CG2-CB 4.07Å; V183-L226 HydrophobicContact CG2-CD1 3.37Å; M197-L226 HydrophobicContact CE-CD1 3.68Å; M197-L226 HydrophobicContact CE-CG 4.32Å; M197-L226 HydrophobicContact SD-CD1 4.42Å; V200-L226 HydrophobicContact CG1-CD2 3.96Å; I201-L226 HydrophobicContact CG1-CD2 3.93Å; L204-L226 HydrophobicContact CD1-CD2 3.85Å; A222-L226 VanDerWaalsContact O-CB 3.24Å; A222-L226 WeakPolarHBondContact O-CB 3.09Å; A222-L226 PolarHBondContact O-N 3.02Å; A223-L226 WeakPolarHBondContact O-CB 3.24Å; A223-L226 PolarHBondContact O-N 2.85Å; L226-A229 PolarHBondContact O-N 3.08Å; L226-L230 WeakPolarHBondContact O-CG 3.28Å; L226-L230 PolarHBondContact O-N 3.16Å; L226-I288 HydrophobicContact CB-CD1 4.31Å; L226-I288 HydrophobicContact CD2-CD1 3.8Å; L226-I288 HydrophobicContact CG-CD1 3.74Å
227	M	98.4	Very high	97.8	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-58.1	-48.9	172.9	-175.4	71	176.1	0	0	111.8	A223 M224 A229 L230 V231 M285 I288 F289 W315 F323	A223-M227 WeakPolarHBondContact O-CB 3.33Å; A223-M227 PolarHBondContact O-N 3.11Å; M224-M227 WeakPolarHBondContact O-CB 3.2Å; M224-M227 PolarHBondContact O-N 2.78Å; M227-A229 PolarHBondContact O-N 2.6Å; M227-L230 PolarHBondContact O-N 2.9Å; M227-V231 HydrophobicContact CE-CG2 4.48Å; M227-V231 WeakPolarHBondContact O-CG2 3.5Å; M227-V231 PolarHBondContact O-N 3.24Å; M227-M285 HydrophobicContact CE-CB 3.77Å; M227-M285 HydrophobicContact CE-CG 4.06Å; M227-M285 HydrophobicContact CE-SD 4.35Å; M227-M285 HydrophobicContact SD-CB 3.73Å; M227-M285 HydrophobicContact SD-CG 3.73Å; M227-I288 HydrophobicContact CB-CD1 4.46Å; M227-I288 HydrophobicContact CB-CG2 4.08Å; M227-I288 HydrophobicContact SD-CB 4.31Å; M227-F289 HydrophobicContact CE-CB 4.34Å; M227-W315 HydrophobicContact CB-CH2 4.42Å; M227-W315 HydrophobicContact CB-CZ2 3.74Å; M227-W315 HydrophobicContact CE-CE3 4.27Å; M227-W315 HydrophobicContact CE-CZ3 4.36Å; M227-W315 HydrophobicContact CG-CD2 4.02Å; M227-W315 VanDerWaalsContact CG-CE2 3.47Å; M227-W315 HydrophobicContact CG-CE3 4.33Å; M227-W315 HydrophobicContact CG-CH2 3.78Å; M227-W315 HydrophobicContact CG-CZ2 3.37Å; M227-W315 HydrophobicContact CG-CZ3 4.23Å; M227-F323 HydrophobicContact CE-CE1 3.97Å; M227-F323 HydrophobicContact CE-CZ 4.03Å
228	T	98.4	Very high	97.7	Very high	11 Å²	11	12.3 Å²	12.3	7%	0.067	7%	0.067	C	C	.	.	H	α-helix	trans	-57	-34.5	176.4	-61.7	0	0	0	0	112.4	M224 K225 N232 E311 I314 W315 M318	M224-T228 PolarHBondContact O-N 3.09Å; M224-T228 PolarHBondContact O-OG1 3.37Å; K225-T228 PolarHBondContact O-N 3.25Å; T228-N232 PolarHBondContact O-N 2.91Å; T228-E311 WeakPolarHBondContact CB-OE2 3.47Å; T228-E311 PolarHBondContact OG1-OE2 3.21Å; T228-I314 HydrophobicContact CG2-CG2 3.83Å; T228-W315 PolarHBondContact OG1-NE1 3.4Å; T228-M318 HydrophobicContact CG2-CE 3.96Å
229	A	98.1	Very high	97.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-74.8	-38.3	174.9	0	0	0	0	0	112.8	V183 K225 L226 M227 N232 V233	V183-A229 HydrophobicContact CB-CB 3.64Å; V183-A229 HydrophobicContact CG1-CB 3.69Å; V183-A229 HydrophobicContact CG2-CB 4.03Å; K225-A229 PolarHBondContact O-N 2.89Å; L226-A229 PolarHBondContact O-N 3.08Å; M227-A229 PolarHBondContact O-N 2.6Å; A229-N232 WeakPolarHBondContact O-CB 3.19Å; A229-N232 PolarHBondContact O-N 3.37Å; A229-V233 PolarHBondContact O-N 3.04Å; A229-V233 VanDerWaalsContact O-N 3.16Å
230	L	98.1	Very high	97.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-40.2	174.2	-72.7	167.5	0	0	0	112.6	V183 I191 M197 L226 M227 N232 V233 A234 I281 M284 M285 I288	V183-L230 HydrophobicContact CG1-CD2 4.33Å; V183-L230 HydrophobicContact CG1-CG 4.48Å; I191-L230 HydrophobicContact CD1-CD2 3.84Å; M197-L230 HydrophobicContact CE-CD1 4.04Å; M197-L230 HydrophobicContact CE-CD2 3.94Å; M197-L230 HydrophobicContact CE-CG 4.29Å; L226-L230 WeakPolarHBondContact O-CG 3.28Å; L226-L230 PolarHBondContact O-N 3.16Å; M227-L230 PolarHBondContact O-N 2.9Å; L230-N232 VanDerWaalsContact C-N 3.25Å; L230-N232 PolarHBondContact O-N 3.31Å; L230-V233 CarbonylContact O-C 3.51Å; L230-V233 WeakPolarHBondContact O-CA 3.45Å; L230-V233 WeakPolarHBondContact O-CB 3.14Å; L230-V233 PolarHBondContact O-N 3.39Å; L230-A234 PolarHBondContact O-N 3.17Å; L230-I281 HydrophobicContact CB-CG2 4.35Å; L230-I281 HydrophobicContact CD2-CD1 3.8Å; L230-I281 HydrophobicContact CD2-CG2 4.25Å; L230-M284 HydrophobicContact CD1-CB 3.94Å; L230-M284 HydrophobicContact CD2-CB 4.48Å; L230-M284 HydrophobicContact CD2-SD 4.13Å; L230-M285 HydrophobicContact CB-CG 3.68Å; L230-M285 HydrophobicContact CB-SD 4.24Å; L230-M285 HydrophobicContact CD1-CG 4.3Å; L230-I288 HydrophobicContact CD1-CD1 3.68Å
231	V	98.3	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.2	-39.9	173.7	173.1	0	0	0	0	111.3	M227 V233 A234 L235 M285 W315 M318 F323	M227-V231 HydrophobicContact CE-CG2 4.48Å; M227-V231 WeakPolarHBondContact O-CG2 3.5Å; M227-V231 PolarHBondContact O-N 3.24Å; V231-V233 VanDerWaalsContact C-N 3.35Å; V231-V233 PolarHBondContact O-N 3.4Å; V231-A234 PolarHBondContact O-N 2.88Å; V231-L235 PolarHBondContact O-N 2.79Å; V231-M285 HydrophobicContact CB-SD 4.44Å; V231-M285 HydrophobicContact CG2-SD 3.73Å; V231-W315 HydrophobicContact CG2-CB 4.27Å; V231-W315 HydrophobicContact CG2-CG 4.04Å; V231-M318 HydrophobicContact CG1-SD 4.27Å; V231-F323 HydrophobicContact CB-CE2 4.44Å; V231-F323 HydrophobicContact CG1-CD2 4.24Å; V231-F323 HydrophobicContact CG1-CE2 3.99Å; V231-F323 HydrophobicContact CG2-CD2 4.5Å; V231-F323 HydrophobicContact CG2-CE1 4.47Å; V231-F323 HydrophobicContact CG2-CE2 3.7Å; V231-F323 HydrophobicContact CG2-CZ 3.69Å
232	N	97.1	Very high	96.8	Very high	39 Å²	39	24 Å²	24	21%	0.209	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-32.8	174	-174.8	105.3	0	0	0	112.6	T228 A229 L230 N236 M318	T228-N232 PolarHBondContact O-N 2.91Å; A229-N232 WeakPolarHBondContact O-CB 3.19Å; A229-N232 PolarHBondContact O-N 3.37Å; L230-N232 VanDerWaalsContact C-N 3.25Å; L230-N232 PolarHBondContact O-N 3.31Å; N232-N236 PolarHBondContact O-N 3.38Å; N232-N236 VanDerWaalsContact O-N 3.13Å; N232-M318 HydrophobicContact CB-SD 3.88Å
233	V	97.4	Very high	96.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-70.9	-42.1	174	179.9	0	0	0	0	110.9	V183 Q187 I191 A229 L230 V231 L235 N236 L237 I281	V183-V233 HydrophobicContact CG1-CG2 4.35Å; Q187-V233 HydrophobicContact CB-CG1 4.07Å; Q187-V233 HydrophobicContact CB-CG2 3.62Å; I191-V233 HydrophobicContact CD1-CG2 4.31Å; A229-V233 PolarHBondContact O-N 3.04Å; A229-V233 VanDerWaalsContact O-N 3.16Å; L230-V233 CarbonylContact O-C 3.51Å; L230-V233 WeakPolarHBondContact O-CA 3.45Å; L230-V233 WeakPolarHBondContact O-CB 3.14Å; L230-V233 PolarHBondContact O-N 3.39Å; V231-V233 VanDerWaalsContact C-N 3.35Å; V231-V233 PolarHBondContact O-N 3.4Å; V233-L235 PolarHBondContact O-N 3.07Å; V233-N236 WeakPolarHBondContact O-CB 3.34Å; V233-N236 PolarHBondContact O-N 2.94Å; V233-N236 VanDerWaalsContact O-N 3.15Å; V233-L237 HydrophobicContact CG1-CD1 4.32Å; V233-L237 HydrophobicContact CG1-CG 4.44Å; V233-L237 WeakPolarHBondContact O-CG 3.42Å; V233-L237 PolarHBondContact O-N 3.2Å; V233-I281 HydrophobicContact CB-CD1 4.39Å; V233-I281 HydrophobicContact CG1-CD1 3.82Å; V233-I281 HydrophobicContact CG1-CG1 4.04Å
234	A	96.9	Very high	96.4	Very high	3 Å²	3	27 Å²	27	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-45.4	175.2	0	0	0	0	0	112	L230 V231 N236 L237 S238 I281 M285 Y319	L230-A234 PolarHBondContact O-N 3.17Å; V231-A234 PolarHBondContact O-N 2.88Å; A234-N236 PolarHBondContact O-N 2.89Å; A234-L237 PolarHBondContact O-N 2.95Å; A234-S238 WeakPolarHBondContact O-CB 3.45Å; A234-S238 PolarHBondContact O-N 3.49Å; A234-I281 HydrophobicContact CB-CG2 4.01Å; A234-M285 HydrophobicContact CB-CE 3.91Å; A234-M285 HydrophobicContact CB-SD 4.41Å; A234-Y319 HydrophobicContact CB-CE2 4.42Å
235	L	96.3	Very high	96.1	Very high	43 Å²	43	29.2 Å²	29.2	23%	0.225	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-45.8	171.8	171	58.5	0	0	0	112.1	V231 V233 L237 S238 I239 M318 Y319	V231-L235 PolarHBondContact O-N 2.79Å; V233-L235 PolarHBondContact O-N 3.07Å; L235-L237 PolarHBondContact O-N 2.89Å; L235-S238 PolarHBondContact O-N 3.34Å; L235-I239 HydrophobicContact CD1-CD1 3.66Å; L235-I239 HydrophobicContact CD1-CG1 4.12Å; L235-I239 HydrophobicContact CG-CD1 4.04Å; L235-I239 WeakPolarHBondContact O-CG1 3.15Å; L235-I239 PolarHBondContact O-N 2.69Å; L235-M318 HydrophobicContact CD2-CG 4.48Å; L235-Y319 HydrophobicContact CB-CD1 3.99Å; L235-Y319 HydrophobicContact CB-CE1 4.31Å; L235-Y319 HydrophobicContact CB-CG 4.26Å; L235-Y319 HydrophobicContact CD1-CD1 3.7Å; L235-Y319 HydrophobicContact CD1-CE1 3.86Å; L235-Y319 HydrophobicContact CG-CD1 4.34Å
236	N	95.4	Very high	95.9	Very high	56 Å²	56	33.4 Å²	33.4	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-38.1	176.9	-80.5	-13.6	0	0	0	113	Q187 N232 V233 A234 N240	Q187-N236 PolarHBondContact OE1-ND2 3.06Å; N232-N236 PolarHBondContact O-N 3.38Å; N232-N236 VanDerWaalsContact O-N 3.13Å; V233-N236 WeakPolarHBondContact O-CB 3.34Å; V233-N236 PolarHBondContact O-N 2.94Å; V233-N236 VanDerWaalsContact O-N 3.15Å; A234-N236 PolarHBondContact O-N 2.89Å; N236-N240 VanDerWaalsContact O-CB 3.32Å; N236-N240 WeakPolarHBondContact O-CB 3.48Å; N236-N240 PolarHBondContact O-N 3.06Å; N236-N240 VanDerWaalsContact O-N 3.09Å
237	L	94.6	Very high	95.6	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-49.7	174.8	-73.9	173.9	0	0	0	111.1	V233 A234 L235 I239 N240 M241 L274 N277 Q278 I281	V233-L237 HydrophobicContact CG1-CD1 4.32Å; V233-L237 HydrophobicContact CG1-CG 4.44Å; V233-L237 WeakPolarHBondContact O-CG 3.42Å; V233-L237 PolarHBondContact O-N 3.2Å; A234-L237 PolarHBondContact O-N 2.95Å; L235-L237 PolarHBondContact O-N 2.89Å; L237-I239 PolarHBondContact O-N 3.17Å; L237-N240 CarbonylContact O-C 3.56Å; L237-N240 WeakPolarHBondContact O-CA 3.49Å; L237-N240 WeakPolarHBondContact O-CB 3.41Å; L237-N240 PolarHBondContact O-N 3.36Å; L237-M241 WeakPolarHBondContact O-CG 3.24Å; L237-M241 PolarHBondContact O-N 3.18Å; L237-L274 HydrophobicContact CD2-CD2 3.78Å; L237-N277 HydrophobicContact CD1-CB 4.17Å; L237-N277 HydrophobicContact CD2-CB 4.12Å; L237-Q278 HydrophobicContact CD1-CB 4.42Å; L237-I281 HydrophobicContact CD1-CB 4.44Å; L237-I281 HydrophobicContact CD1-CG1 3.82Å
238	S	95.5	Very high	95.3	Very high	29 Å²	29	38.8 Å²	38.8	20%	0.203	19%	0.193	C	C	.	.	H	α-helix	trans	-53.6	-49.9	176.6	179.1	0	0	0	0	111.9	A234 L235 N240 M241 D242 Y319	A234-S238 WeakPolarHBondContact O-CB 3.45Å; A234-S238 PolarHBondContact O-N 3.49Å; L235-S238 PolarHBondContact O-N 3.34Å; S238-N240 VanDerWaalsContact C-N 3.32Å; S238-N240 PolarHBondContact O-N 3.09Å; S238-M241 WeakPolarHBondContact O-CB 3.42Å; S238-M241 PolarHBondContact O-N 3.23Å; S238-D242 PolarHBondContact O-N 3.32Å; S238-Y319 WeakPolarHBondContact CB-OH 3.46Å; S238-Y319 PolarHBondContact OG-OH 2.96Å; S238-Y319 VanDerWaalsContact OG-OH 3.05Å
239	I	94.8	Very high	95.1	Very high	83 Å²	83	42 Å²	42	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-40.3	174.6	-69.3	167.8	0	0	0	111.7	L235 L237 N243	L235-I239 HydrophobicContact CD1-CD1 3.66Å; L235-I239 HydrophobicContact CD1-CG1 4.12Å; L235-I239 HydrophobicContact CG-CD1 4.04Å; L235-I239 WeakPolarHBondContact O-CG1 3.15Å; L235-I239 PolarHBondContact O-N 2.69Å; L237-I239 PolarHBondContact O-N 3.17Å; I239-N243 WeakPolarHBondContact CG2-ND2 3.49Å; I239-N243 WeakPolarHBondContact O-CB 3.41Å; I239-N243 PolarHBondContact O-N 2.82Å; I239-N243 PolarHBondContact O-ND2 2.8Å
240	N	93.8	Very high	94.8	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	23%	0.228	S	C	.	.	H	α-helix	trans	-70.7	-34	178.9	-169.3	1.9	0	0	0	112	N236 L237 S238 T244 K270 L274	N236-N240 VanDerWaalsContact O-CB 3.32Å; N236-N240 WeakPolarHBondContact O-CB 3.48Å; N236-N240 PolarHBondContact O-N 3.06Å; N236-N240 VanDerWaalsContact O-N 3.09Å; L237-N240 CarbonylContact O-C 3.56Å; L237-N240 WeakPolarHBondContact O-CA 3.49Å; L237-N240 WeakPolarHBondContact O-CB 3.41Å; L237-N240 PolarHBondContact O-N 3.36Å; S238-N240 VanDerWaalsContact C-N 3.32Å; S238-N240 PolarHBondContact O-N 3.09Å; N240-T244 VanDerWaalsContact O-CB 3.29Å; N240-T244 WeakPolarHBondContact O-CB 3.43Å; N240-T244 PolarHBondContact O-N 3.34Å; N240-T244 PolarHBondContact O-OG1 3.37Å; N240-K270 PolarHBondContact OD1-NZ 3.26Å; N240-L274 HydrophobicContact CB-CD1 4.2Å; N240-L274 WeakPolarHBondContact ND2-CD2 3.39Å
241	M	93.3	Very high	94.4	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-49	174.2	-73.9	167.8	67.8	0	0	110.8	L237 S238 N243 T244 Q245 L274 Q275 Q278	L237-M241 WeakPolarHBondContact O-CG 3.24Å; L237-M241 PolarHBondContact O-N 3.18Å; S238-M241 WeakPolarHBondContact O-CB 3.42Å; S238-M241 PolarHBondContact O-N 3.23Å; M241-N243 VanDerWaalsContact C-N 3.35Å; M241-N243 PolarHBondContact O-N 3.48Å; M241-T244 CarbonylContact O-C 3.59Å; M241-T244 WeakPolarHBondContact O-CA 3.48Å; M241-T244 WeakPolarHBondContact O-CB 3.43Å; M241-T244 PolarHBondContact O-N 2.85Å; M241-Q245 WeakPolarHBondContact O-CB 3.44Å; M241-Q245 PolarHBondContact O-N 3.24Å; M241-L274 HydrophobicContact CG-CB 3.48Å; M241-L274 VanDerWaalsContact CG-CB 3.48Å; M241-L274 HydrophobicContact CG-CD1 3.93Å; M241-L274 HydrophobicContact CG-CG 4.32Å; M241-L274 HydrophobicContact SD-CB 4.05Å; M241-Q275 HydrophobicContact CE-CB 4.23Å; M241-Q275 VanDerWaalsContact CE-OE1 3.23Å; M241-Q278 VanDerWaalsContact CE-OE1 3.22Å; M241-Q278 HydrophobicContact SD-CB 4.16Å; M241-Q278 PolarHBondContact SD-OE1 2.76Å
242	D	93.4	Very high	94	Very high	92 Å²	92	51.2 Å²	51.2	49%	0.492	25%	0.253	S	S	.	.	H	α-helix	trans	-59.8	-42.1	175	-92.3	-2.1	0	0	0	113.1	S238 T244 Q245 R246	S238-D242 PolarHBondContact O-N 3.32Å; D242-T244 VanDerWaalsContact C-N 3.26Å; D242-T244 PolarHBondContact O-N 3.29Å; D242-Q245 PolarHBondContact O-N 3.33Å; D242-R246 WeakPolarHBondContact O-CB 3.4Å; D242-R246 WeakPolarHBondContact O-CG 3.46Å; D242-R246 PolarHBondContact O-N 3.03Å; D242-R246 PolarHBondContact O-NE 2.95Å
243	N	95.1	Very high	93.7	Very high	63 Å²	63	55.5 Å²	55.5	34%	0.337	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-29.2	174.6	-80.1	-61.1	0	0	0	112.3	I239 M241 R246 Q247	I239-N243 WeakPolarHBondContact CG2-ND2 3.49Å; I239-N243 WeakPolarHBondContact O-CB 3.41Å; I239-N243 PolarHBondContact O-N 2.82Å; I239-N243 PolarHBondContact O-ND2 2.8Å; M241-N243 VanDerWaalsContact C-N 3.35Å; M241-N243 PolarHBondContact O-N 3.48Å; N243-R246 PolarHBondContact OD1-NH1 3.37Å; N243-R246 PolarHBondContact OD1-NH2 3.35Å; N243-R246 VanDerWaalsContact OD1-NH2 3.1Å; N243-Q247 WeakPolarHBondContact O-CB 2.78Å; N243-Q247 VanDerWaalsContact O-CG 3.25Å; N243-Q247 WeakPolarHBondContact O-CG 3.49Å; N243-Q247 PolarHBondContact O-N 3.24Å; N243-Q247 PolarHBondContact O-NE2 3.42Å; N243-Q247 VanDerWaalsContact O-NE2 3.1Å
244	T	94.3	Very high	93.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-79.4	-39.4	176.4	-57.9	0	0	0	0	111.3	N240 M241 D242 Q247 Y248 L267 K270 R271	N240-T244 VanDerWaalsContact O-CB 3.29Å; N240-T244 WeakPolarHBondContact O-CB 3.43Å; N240-T244 PolarHBondContact O-N 3.34Å; N240-T244 PolarHBondContact O-OG1 3.37Å; M241-T244 CarbonylContact O-C 3.59Å; M241-T244 WeakPolarHBondContact O-CA 3.48Å; M241-T244 WeakPolarHBondContact O-CB 3.43Å; M241-T244 PolarHBondContact O-N 2.85Å; D242-T244 VanDerWaalsContact C-N 3.26Å; D242-T244 PolarHBondContact O-N 3.29Å; T244-Q247 WeakPolarHBondContact O-CB 3.34Å; T244-Q247 PolarHBondContact O-N 3.16Å; T244-Y248 WeakPolarHBondContact O-CB 3.37Å; T244-Y248 PolarHBondContact O-N 3.02Å; T244-L267 HydrophobicContact CG2-CD2 4.14Å; T244-K270 HydrophobicContact CG2-CB 4.5Å; T244-K270 HydrophobicContact CG2-CD 4.41Å; T244-K270 HydrophobicContact CG2-CG 4.32Å; T244-K270 PolarHBondContact OG1-NZ 3.18Å; T244-R271 HydrophobicContact CG2-CB 4.21Å
245	Q	92.9	Very high	92.6	Very high	46 Å²	46	65.7 Å²	65.7	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-49.9	174.6	179.9	62.5	22.8	0	0	111	M241 D242 Q247 Y248 E249 R271	M241-Q245 WeakPolarHBondContact O-CB 3.44Å; M241-Q245 PolarHBondContact O-N 3.24Å; D242-Q245 PolarHBondContact O-N 3.33Å; Q245-Q247 VanDerWaalsContact C-N 3.26Å; Q245-Q247 PolarHBondContact O-N 3.21Å; Q245-Y248 WeakPolarHBondContact O-CB 3.16Å; Q245-Y248 PolarHBondContact O-N 3.37Å; Q245-Y248 VanDerWaalsContact O-N 3.11Å; Q245-E249 PolarHBondContact NE2-OE1 3.19Å; Q245-E249 WeakPolarHBondContact O-CG 3.44Å; Q245-E249 PolarHBondContact O-N 3.02Å; Q245-R271 VanDerWaalsContact OE1-CD 3.27Å
246	R	94.3	Very high	91.5	Very high	136 Å²	136	70.5 Å²	70.5	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-60.4	-34.1	174.4	-75.5	178.6	-80.3	136.1	-3.4	112.4	D242 N243 A250	D242-R246 WeakPolarHBondContact O-CB 3.4Å; D242-R246 WeakPolarHBondContact O-CG 3.46Å; D242-R246 PolarHBondContact O-N 3.03Å; D242-R246 PolarHBondContact O-NE 2.95Å; N243-R246 PolarHBondContact OD1-NH1 3.37Å; N243-R246 PolarHBondContact OD1-NH2 3.35Å; N243-R246 VanDerWaalsContact OD1-NH2 3.1Å; R246-A250 WeakPolarHBondContact O-CB 3.29Å; R246-A250 PolarHBondContact O-N 3.22Å
247	Q	91.8	Very high	90.3	Very high	86 Å²	86	71.9 Å²	71.9	40%	0.402	38%	0.376	S	S	.	.	H	α-helix	trans	-69.9	-40.7	172.5	-80.3	178.9	71.8	0	0	113.2	N243 T244 Q245 A250 E251 L267	N243-Q247 WeakPolarHBondContact O-CB 2.78Å; N243-Q247 VanDerWaalsContact O-CG 3.25Å; N243-Q247 WeakPolarHBondContact O-CG 3.49Å; N243-Q247 PolarHBondContact O-N 3.24Å; N243-Q247 PolarHBondContact O-NE2 3.42Å; N243-Q247 VanDerWaalsContact O-NE2 3.1Å; T244-Q247 WeakPolarHBondContact O-CB 3.34Å; T244-Q247 PolarHBondContact O-N 3.16Å; Q245-Q247 VanDerWaalsContact C-N 3.26Å; Q245-Q247 PolarHBondContact O-N 3.21Å; Q247-A250 PolarHBondContact O-N 2.91Å; Q247-E251 PolarHBondContact O-N 3.27Å; Q247-L267 HydrophobicContact CB-CD1 4.27Å; Q247-L267 HydrophobicContact CB-CD2 4.09Å
248	Y	92.4	Very high	89.4	Confident	34 Å²	34	79.3 Å²	79.3	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-61	-50.7	176.1	172.5	-97.4	0	0	0	110.6	T244 Q245 A250 E251 R252 L264 L267 L268	T244-Y248 WeakPolarHBondContact O-CB 3.37Å; T244-Y248 PolarHBondContact O-N 3.02Å; Q245-Y248 WeakPolarHBondContact O-CB 3.16Å; Q245-Y248 PolarHBondContact O-N 3.37Å; Q245-Y248 VanDerWaalsContact O-N 3.11Å; Y248-A250 PolarHBondContact O-N 3.36Å; Y248-E251 PolarHBondContact O-N 3.01Å; Y248-R252 WeakPolarHBondContact O-CB 3.29Å; Y248-R252 PolarHBondContact O-N 3.42Å; Y248-L264 HydrophobicContact CD2-CD2 4.39Å; Y248-L264 HydrophobicContact CD2-CG 3.95Å; Y248-L264 HydrophobicContact CE2-CD1 4.37Å; Y248-L264 HydrophobicContact CE2-CD2 3.49Å; Y248-L264 VanDerWaalsContact CE2-CD2 3.49Å; Y248-L264 HydrophobicContact CE2-CG 3.53Å; Y248-L267 HydrophobicContact CD2-CB 4.19Å; Y248-L268 HydrophobicContact CD2-CB 4.35Å; Y248-L268 HydrophobicContact CE2-CB 3.99Å; Y248-L268 HydrophobicContact CE2-CD1 3.98Å
249	E	92.8	Very high	88.8	Confident	78 Å²	78	82.3 Å²	82.3	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-44.1	174.8	-70.7	173.1	-174.6	0	0	112.2	Q245 E251 R252 N253	Q245-E249 PolarHBondContact NE2-OE1 3.19Å; Q245-E249 WeakPolarHBondContact O-CG 3.44Å; Q245-E249 PolarHBondContact O-N 3.02Å; E249-E251 PolarHBondContact O-N 3.49Å; E249-R252 PolarHBondContact O-N 3.32Å; E249-N253 VanDerWaalsContact O-CB 3.29Å; E249-N253 WeakPolarHBondContact O-CB 3.44Å; E249-N253 PolarHBondContact O-N 3.13Å; E249-N253 PolarHBondContact O-ND2 2.99Å
250	A	92.4	Very high	88.4	Confident	55 Å²	55	80.4 Å²	80.4	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-26.3	177.9	0	0	0	0	0	113.2	R246 Q247 Y248 K254	R246-A250 WeakPolarHBondContact O-CB 3.29Å; R246-A250 PolarHBondContact O-N 3.22Å; Q247-A250 PolarHBondContact O-N 2.91Å; Y248-A250 PolarHBondContact O-N 3.36Å; A250-K254 WeakPolarHBondContact O-CG 3.48Å; A250-K254 PolarHBondContact O-NZ 2.98Å
251	E	89.8	Confident	87.9	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.009	42%	0.424	C	S	.	.	H	α-helix	trans	-86.6	-36	170.5	-146.9	72.5	-148.1	0	0	112.4	K41 Q247 Y248 E249 N253 K254 R263	K41-E251 IonicContact NZ-OE1 2.69Å; K41-E251 PolarHBondContact NZ-OE1 2.95Å; K41-E251 IonicContact NZ-OE2 2.81Å; Q247-E251 PolarHBondContact O-N 3.27Å; Y248-E251 PolarHBondContact O-N 3.01Å; E249-E251 PolarHBondContact O-N 3.49Å; E251-N253 PolarHBondContact O-N 2.96Å; E251-K254 HydrophobicContact CG-CD 4.37Å; E251-K254 WeakPolarHBondContact O-CB 3.43Å; E251-K254 PolarHBondContact O-N 3.22Å; E251-K254 VanDerWaalsContact OE1-CD 3.24Å; E251-K254 WeakPolarHBondContact OE1-CD 3.41Å; E251-K254 WeakPolarHBondContact OE1-CE 2.81Å; E251-K254 IonicContact OE1-NZ 2.9Å; E251-K254 PolarHBondContact OE1-NZ 2.98Å; E251-K254 IonicContact OE2-NZ 2.95Å; E251-K254 PolarHBondContact OE2-NZ 2.82Å; E251-R263 IonicContact OE2-CZ 3.77Å; E251-R263 IonicContact OE2-NH1 3.1Å; E251-R263 PolarHBondContact OE2-NH1 3.44Å
252	R	89.4	Confident	87.7	Confident	137 Å²	137	89.3 Å²	89.3	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-58.2	-45.7	173.8	-171	-178.4	-178.1	-165.3	0.9	111.8	Y248 E249 K254 R259 L264	Y248-R252 WeakPolarHBondContact O-CB 3.29Å; Y248-R252 PolarHBondContact O-N 3.42Å; E249-R252 PolarHBondContact O-N 3.32Å; R252-K254 PolarHBondContact O-N 3.19Å; R252-R259 VanDerWaalsContact O-CZ 3.29Å; R252-R259 PolarHBondContact O-NE 3.42Å; R252-R259 PolarHBondContact O-NH2 3.05Å; R252-L264 HydrophobicContact CB-CD1 3.78Å; R252-L264 HydrophobicContact CG-CD1 4.29Å
253	N	90.5	Very high	87.4	Confident	129 Å²	129	89.6 Å²	89.6	69%	0.69	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	6.9	-175	-63.6	-11.5	0	0	0	113.5	E249 E251	E249-N253 VanDerWaalsContact O-CB 3.29Å; E249-N253 WeakPolarHBondContact O-CB 3.44Å; E249-N253 PolarHBondContact O-N 3.13Å; E249-N253 PolarHBondContact O-ND2 2.99Å; E251-N253 PolarHBondContact O-N 2.96Å
254	K	90.3	Very high	87.1	Confident	57 Å²	57	88 Å²	88	25%	0.248	44%	0.44	C	S	.	.	S	Bend	trans	-76.2	145.1	168.3	-66.2	179.9	173.5	78.3	0	110.5	A250 E251 R252	A250-K254 WeakPolarHBondContact O-CG 3.48Å; A250-K254 PolarHBondContact O-NZ 2.98Å; E251-K254 HydrophobicContact CG-CD 4.37Å; E251-K254 WeakPolarHBondContact O-CB 3.43Å; E251-K254 PolarHBondContact O-N 3.22Å; E251-K254 VanDerWaalsContact OE1-CD 3.24Å; E251-K254 WeakPolarHBondContact OE1-CD 3.41Å; E251-K254 WeakPolarHBondContact OE1-CE 2.81Å; E251-K254 IonicContact OE1-NZ 2.9Å; E251-K254 PolarHBondContact OE1-NZ 2.98Å; E251-K254 IonicContact OE2-NZ 2.95Å; E251-K254 PolarHBondContact OE2-NZ 2.82Å; R252-K254 PolarHBondContact O-N 3.19Å
255	M	81.9	Confident	86.9	Confident	161 Å²	161	94.7 Å²	94.7	79%	0.793	47%	0.471	S	S	*	.			trans	-50.4	144.7	170.6	-74	176	161	0	0	110.8	G257 K258 R259	M255-G257 PolarHBondContact O-N 2.99Å; M255-K258 CarbonylContact O-C 3.46Å; M255-K258 WeakPolarHBondContact O-CA 3.41Å; M255-K258 PolarHBondContact O-N 2.75Å; M255-R259 PolarHBondContact O-N 3.1Å; M255-R259 VanDerWaalsContact O-N 3.16Å
256	I	73.5	Confident	86.9	Confident	144 Å²	144	98.4 Å²	98.4	74%	0.738	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-52.9	-47.7	-167.1	-63.8	168.4	0	0	0	112.2	K258 R259	I256-K258 PolarHBondContact O-N 3.35Å; I256-K258 VanDerWaalsContact O-N 3.1Å; I256-R259 PolarHBondContact O-N 3.41Å
257	G	70	Confident	86.8	Confident	85 Å²	85	92.6 Å²	92.6	88%	0.876	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-71.9	5.3	176.4	0	0	0	0	0	116.4	M255	M255-G257 PolarHBondContact O-N 2.99Å
258	K	74.3	Confident	86.8	Confident	166 Å²	166	92.1 Å²	92.1	72%	0.722	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-130.5	9.4	175.6	-66.8	-174.7	178.1	178.8	0	112.7	M255 I256	M255-K258 CarbonylContact O-C 3.46Å; M255-K258 WeakPolarHBondContact O-CA 3.41Å; M255-K258 PolarHBondContact O-N 2.75Å; I256-K258 PolarHBondContact O-N 3.35Å; I256-K258 VanDerWaalsContact O-N 3.1Å
259	R	83.3	Confident	86.9	Confident	92 Å²	92	94.5 Å²	94.5	35%	0.347	48%	0.483	S	S	.	.			trans	-89.4	128.8	173.5	-178	-173.7	-66.6	157.4	-0.6	109.1	R252 M255 I256 N261 L264	R252-R259 VanDerWaalsContact O-CZ 3.29Å; R252-R259 PolarHBondContact O-NE 3.42Å; R252-R259 PolarHBondContact O-NH2 3.05Å; M255-R259 PolarHBondContact O-N 3.1Å; M255-R259 VanDerWaalsContact O-N 3.16Å; I256-R259 PolarHBondContact O-N 3.41Å; R259-N261 WeakPolarHBondContact CD-OD1 3.37Å; R259-L264 HydrophobicContact CG-CD1 4.42Å
260	A	86.4	Confident	86.9	Confident	42 Å²	42	94 Å²	94	35%	0.347	48%	0.48	S	S	.	.			trans	-97.4	102.3	173.9	0	0	0	0	0	109.3	R263 L264	A260-R263 HydrophobicContact CB-CB 3.96Å; A260-R263 PolarHBondContact O-N 2.97Å; A260-L264 PolarHBondContact O-N 3.16Å; A260-L264 VanDerWaalsContact O-N 3.12Å
261	N	84.4	Confident	86.8	Confident	111 Å²	111	96.1 Å²	96.1	59%	0.594	48%	0.476	S	S	*	.	H	α-helix	trans	-64.3	-42.8	-174.4	-69.4	-10.4	0	0	0	112.3	R259 R263 L264 E265	R259-N261 WeakPolarHBondContact CD-OD1 3.37Å; N261-R263 PolarHBondContact O-N 3.44Å; N261-L264 WeakPolarHBondContact O-CA 3.5Å; N261-L264 VanDerWaalsContact O-CB 3.31Å; N261-L264 WeakPolarHBondContact O-CB 3.34Å; N261-L264 PolarHBondContact O-N 2.84Å; N261-E265 PolarHBondContact O-N 3.3Å
262	E	87.4	Confident	87	Confident	158 Å²	158	100.8 Å²	100.8	74%	0.738	50%	0.496	S	S	*	.	H	α-helix	trans	-53.7	-39.7	172.9	-61.6	168.5	-174.3	0	0	112.4	L264 L266	E262-L264 VanDerWaalsContact C-N 3.34Å; E262-L266 WeakPolarHBondContact O-CB 3.21Å; E262-L266 VanDerWaalsContact O-CG 3.26Å; E262-L266 WeakPolarHBondContact O-CG 3.4Å; E262-L266 PolarHBondContact O-N 3.23Å
263	R	88.3	Confident	87.3	Confident	98 Å²	98	98.5 Å²	98.5	37%	0.37	49%	0.491	S	S	.	.	H	α-helix	trans	-70	-34.3	176.6	-174.6	178.2	-176.2	-154.1	2.1	111.5	E251 A260 N261 L267	E251-R263 IonicContact OE2-CZ 3.77Å; E251-R263 IonicContact OE2-NH1 3.1Å; E251-R263 PolarHBondContact OE2-NH1 3.44Å; A260-R263 HydrophobicContact CB-CB 3.96Å; A260-R263 PolarHBondContact O-N 2.97Å; N261-R263 PolarHBondContact O-N 3.44Å; R263-L267 HydrophobicContact CG-CD1 4.03Å; R263-L267 HydrophobicContact CG-CG 4.46Å; R263-L267 WeakPolarHBondContact O-CB 3.41Å; R263-L267 WeakPolarHBondContact O-CD1 3.41Å; R263-L267 VanDerWaalsContact O-CG 3.24Å; R263-L267 WeakPolarHBondContact O-CG 3.34Å; R263-L267 PolarHBondContact O-N 2.64Å
264	L	87.9	Confident	87.4	Confident	30 Å²	30	93 Å²	93	16%	0.157	46%	0.461	C	S	.	.	H	α-helix	trans	-70.2	-39.1	179.5	-164.4	132.8	0	0	0	110.9	Y248 R252 R259 A260 N261 E262 L267 L268	Y248-L264 HydrophobicContact CD2-CD2 4.39Å; Y248-L264 HydrophobicContact CD2-CG 3.95Å; Y248-L264 HydrophobicContact CE2-CD1 4.37Å; Y248-L264 HydrophobicContact CE2-CD2 3.49Å; Y248-L264 VanDerWaalsContact CE2-CD2 3.49Å; Y248-L264 HydrophobicContact CE2-CG 3.53Å; R252-L264 HydrophobicContact CB-CD1 3.78Å; R252-L264 HydrophobicContact CG-CD1 4.29Å; R259-L264 HydrophobicContact CG-CD1 4.42Å; A260-L264 PolarHBondContact O-N 3.16Å; A260-L264 VanDerWaalsContact O-N 3.12Å; N261-L264 WeakPolarHBondContact O-CA 3.5Å; N261-L264 VanDerWaalsContact O-CB 3.31Å; N261-L264 WeakPolarHBondContact O-CB 3.34Å; N261-L264 PolarHBondContact O-N 2.84Å; E262-L264 VanDerWaalsContact C-N 3.34Å; L264-L267 PolarHBondContact O-N 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.49Å; L264-L268 PolarHBondContact O-N 3.41Å
265	E	91.3	Very high	87.6	Confident	142 Å²	142	94 Å²	94	66%	0.664	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-50	171.7	-173.8	168.9	-155.3	0	0	111.8	N261 L267 L268 Q269	N261-E265 PolarHBondContact O-N 3.3Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.28Å; E265-L268 PolarHBondContact O-N 2.9Å; E265-L268 VanDerWaalsContact O-N 3.07Å; E265-Q269 WeakPolarHBondContact O-CB 3.45Å; E265-Q269 PolarHBondContact O-N 3.32Å
266	L	92.5	Very high	88.2	Confident	124 Å²	124	90.6 Å²	90.6	65%	0.649	45%	0.45	S	S	*	.	H	α-helix	trans	-58.8	-35.5	174.3	-75	168.1	0	0	0	113.4	E262 K270	E262-L266 WeakPolarHBondContact O-CB 3.21Å; E262-L266 VanDerWaalsContact O-CG 3.26Å; E262-L266 WeakPolarHBondContact O-CG 3.4Å; E262-L266 PolarHBondContact O-N 3.23Å; L266-K270 WeakPolarHBondContact O-CB 3.37Å; L266-K270 PolarHBondContact O-N 3.39Å
267	L	92.1	Very high	89.2	Confident	14 Å²	14	86.1 Å²	86.1	7%	0.073	43%	0.427	C	S	.	.	H	α-helix	trans	-73.2	-33.2	175.5	-76.6	167.5	0	0	0	112.3	T244 Q247 Y248 R263 L264 E265 R271	T244-L267 HydrophobicContact CG2-CD2 4.14Å; Q247-L267 HydrophobicContact CB-CD1 4.27Å; Q247-L267 HydrophobicContact CB-CD2 4.09Å; Y248-L267 HydrophobicContact CD2-CB 4.19Å; R263-L267 HydrophobicContact CG-CD1 4.03Å; R263-L267 HydrophobicContact CG-CG 4.46Å; R263-L267 WeakPolarHBondContact O-CB 3.41Å; R263-L267 WeakPolarHBondContact O-CD1 3.41Å; R263-L267 VanDerWaalsContact O-CG 3.24Å; R263-L267 WeakPolarHBondContact O-CG 3.34Å; R263-L267 PolarHBondContact O-N 2.64Å; L264-L267 PolarHBondContact O-N 3.28Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.28Å; L267-R271 WeakPolarHBondContact O-CB 3.46Å; L267-R271 PolarHBondContact O-N 3.06Å
268	L	91.9	Very high	90.3	Very high	76 Å²	76	83.7 Å²	83.7	40%	0.398	39%	0.393	S	S	.	.	H	α-helix	trans	-72.5	-41.1	175.4	-171.5	146.2	0	0	0	111.4	Y248 L264 E265 R271 K272	Y248-L268 HydrophobicContact CD2-CB 4.35Å; Y248-L268 HydrophobicContact CE2-CB 3.99Å; Y248-L268 HydrophobicContact CE2-CD1 3.98Å; L264-L268 WeakPolarHBondContact O-CB 3.49Å; L264-L268 PolarHBondContact O-N 3.41Å; E265-L268 PolarHBondContact O-N 2.9Å; E265-L268 VanDerWaalsContact O-N 3.07Å; L268-R271 PolarHBondContact O-N 3.49Å; L268-K272 PolarHBondContact O-N 3.25Å
269	Q	93.4	Very high	91.3	Very high	83 Å²	83	79.3 Å²	79.3	39%	0.388	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-49.9	172.6	176	55.1	30.3	0	0	111.3	E265 R271 K272 E273	E265-Q269 WeakPolarHBondContact O-CB 3.45Å; E265-Q269 PolarHBondContact O-N 3.32Å; Q269-R271 PolarHBondContact O-N 2.96Å; Q269-K272 WeakPolarHBondContact O-CA 3.34Å; Q269-K272 WeakPolarHBondContact O-CB 3.47Å; Q269-K272 PolarHBondContact O-N 3.45Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.37Å; Q269-E273 PolarHBondContact NE2-OE1 3.06Å; Q269-E273 WeakPolarHBondContact O-CG 3.49Å; Q269-E273 PolarHBondContact O-N 2.78Å
270	K	92.9	Very high	91.9	Very high	69 Å²	69	78.2 Å²	78.2	30%	0.3	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-34	173.5	-179.7	176.6	178.6	-67.9	0	112.8	N240 T244 L266 L274	N240-K270 PolarHBondContact OD1-NZ 3.26Å; T244-K270 HydrophobicContact CG2-CB 4.5Å; T244-K270 HydrophobicContact CG2-CD 4.41Å; T244-K270 HydrophobicContact CG2-CG 4.32Å; T244-K270 PolarHBondContact OG1-NZ 3.18Å; L266-K270 WeakPolarHBondContact O-CB 3.37Å; L266-K270 PolarHBondContact O-N 3.39Å; K270-L274 HydrophobicContact CG-CD1 4.36Å; K270-L274 VanDerWaalsContact NZ-CD1 3.31Å; K270-L274 WeakPolarHBondContact O-CB 3.1Å; K270-L274 VanDerWaalsContact O-CG 3.31Å; K270-L274 WeakPolarHBondContact O-CG 3.47Å; K270-L274 PolarHBondContact O-N 3.23Å
271	R	91.8	Very high	92.4	Very high	98 Å²	98	76.2 Å²	76.2	37%	0.37	36%	0.36	S	S	.	.	H	α-helix	trans	-70.5	-33.2	175.9	-163.4	-168.3	70.8	159.1	11.4	111.7	T244 Q245 L267 L268 Q269 Q275	T244-R271 HydrophobicContact CG2-CB 4.21Å; Q245-R271 VanDerWaalsContact OE1-CD 3.27Å; L267-R271 WeakPolarHBondContact O-CB 3.46Å; L267-R271 PolarHBondContact O-N 3.06Å; L268-R271 PolarHBondContact O-N 3.49Å; Q269-R271 PolarHBondContact O-N 2.96Å; R271-Q275 PolarHBondContact O-N 3.43Å; R271-Q275 VanDerWaalsContact O-N 3.1Å
272	K	94.3	Very high	93	Very high	100 Å²	100	74.4 Å²	74.4	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-68	-48.3	173.4	-172.7	-180	169.1	-74	0	110.9	L268 Q269 L274 Q275 E276	L268-K272 PolarHBondContact O-N 3.25Å; Q269-K272 WeakPolarHBondContact O-CA 3.34Å; Q269-K272 WeakPolarHBondContact O-CB 3.47Å; Q269-K272 PolarHBondContact O-N 3.45Å; K272-L274 VanDerWaalsContact C-N 3.28Å; K272-L274 PolarHBondContact O-N 3.47Å; K272-Q275 WeakPolarHBondContact O-CB 3.39Å; K272-Q275 PolarHBondContact O-N 2.82Å; K272-E276 IonicContact NZ-OE1 2.72Å; K272-E276 PolarHBondContact NZ-OE1 3.47Å; K272-E276 IonicContact NZ-OE2 3.78Å; K272-E276 PolarHBondContact NZ-OE2 3.12Å; K272-E276 WeakPolarHBondContact O-CG 3.38Å; K272-E276 PolarHBondContact O-N 2.77Å
273	E	93.8	Very high	93.4	Very high	89 Å²	89	71.2 Å²	71.2	42%	0.416	34%	0.336	S	S	.	.	H	α-helix	trans	-55.4	-41.5	174	-68.4	160.1	-172.5	0	0	112.2	Q269 N277	Q269-E273 WeakPolarHBondContact CG-OE1 3.37Å; Q269-E273 PolarHBondContact NE2-OE1 3.06Å; Q269-E273 WeakPolarHBondContact O-CG 3.49Å; Q269-E273 PolarHBondContact O-N 2.78Å; E273-N277 WeakPolarHBondContact O-CB 3.36Å; E273-N277 PolarHBondContact O-N 3.21Å; E273-N277 PolarHBondContact O-OD1 3.17Å
274	L	93	Very high	93.8	Very high	13 Å²	13	66.9 Å²	66.9	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-70.9	-29.9	176.3	-72.8	174.8	0	0	0	113.9	L237 N240 M241 K270 K272 Q278	L237-L274 HydrophobicContact CD2-CD2 3.78Å; N240-L274 HydrophobicContact CB-CD1 4.2Å; N240-L274 WeakPolarHBondContact ND2-CD2 3.39Å; M241-L274 HydrophobicContact CG-CB 3.48Å; M241-L274 VanDerWaalsContact CG-CB 3.48Å; M241-L274 HydrophobicContact CG-CD1 3.93Å; M241-L274 HydrophobicContact CG-CG 4.32Å; M241-L274 HydrophobicContact SD-CB 4.05Å; K270-L274 HydrophobicContact CG-CD1 4.36Å; K270-L274 VanDerWaalsContact NZ-CD1 3.31Å; K270-L274 WeakPolarHBondContact O-CB 3.1Å; K270-L274 VanDerWaalsContact O-CG 3.31Å; K270-L274 WeakPolarHBondContact O-CG 3.47Å; K270-L274 PolarHBondContact O-N 3.23Å; K272-L274 VanDerWaalsContact C-N 3.28Å; K272-L274 PolarHBondContact O-N 3.47Å; L274-Q278 PolarHBondContact O-N 3.05Å
275	Q	94.4	Very high	94.3	Very high	79 Å²	79	66 Å²	66	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-47.5	172.5	-173.8	69.5	65.3	0	0	110.4	M241 R271 K272 N277 Q278 D279	M241-Q275 HydrophobicContact CE-CB 4.23Å; M241-Q275 VanDerWaalsContact CE-OE1 3.23Å; R271-Q275 PolarHBondContact O-N 3.43Å; R271-Q275 VanDerWaalsContact O-N 3.1Å; K272-Q275 WeakPolarHBondContact O-CB 3.39Å; K272-Q275 PolarHBondContact O-N 2.82Å; Q275-N277 PolarHBondContact O-N 3.01Å; Q275-Q278 WeakPolarHBondContact O-CA 3Å; Q275-Q278 WeakPolarHBondContact O-CB 3.35Å; Q275-Q278 PolarHBondContact O-N 3.01Å; Q275-D279 PolarHBondContact NE2-OD1 2.93Å; Q275-D279 PolarHBondContact O-N 3.21Å
276	E	94.8	Very high	94.6	Very high	90 Å²	90	62.3 Å²	62.3	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-58.3	-39.6	177.8	-68.1	172.5	134.7	0	0	110.9	K272 E280	K272-E276 IonicContact NZ-OE1 2.72Å; K272-E276 PolarHBondContact NZ-OE1 3.47Å; K272-E276 IonicContact NZ-OE2 3.78Å; K272-E276 PolarHBondContact NZ-OE2 3.12Å; K272-E276 WeakPolarHBondContact O-CG 3.38Å; K272-E276 PolarHBondContact O-N 2.77Å; E276-E280 PolarHBondContact O-N 3.25Å
277	N	95.1	Very high	94.8	Very high	50 Å²	50	58.5 Å²	58.5	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-34.4	170.8	-74.8	22.6	0	0	0	114	Y192 L237 E273 Q275 I281	Y192-N277 HydrophobicContact CD1-CB 4.13Å; Y192-N277 HydrophobicContact CE1-CB 3.56Å; Y192-N277 WeakPolarHBondContact CE2-ND2 3.47Å; Y192-N277 VanDerWaalsContact CZ-ND2 3.34Å; L237-N277 HydrophobicContact CD1-CB 4.17Å; L237-N277 HydrophobicContact CD2-CB 4.12Å; E273-N277 WeakPolarHBondContact O-CB 3.36Å; E273-N277 PolarHBondContact O-N 3.21Å; E273-N277 PolarHBondContact O-OD1 3.17Å; Q275-N277 PolarHBondContact O-N 3.01Å; N277-I281 WeakPolarHBondContact O-CG1 3.22Å; N277-I281 PolarHBondContact O-N 3.3Å
278	Q	93.6	Very high	95.1	Very high	33 Å²	33	58 Å²	58	15%	0.154	28%	0.283	C	S	.	.	H	α-helix	trans	-68	-49.3	176.7	176.4	178.3	-12.3	0	0	110.4	L237 M241 L274 Q275 E280 I281 E282	L237-Q278 HydrophobicContact CD1-CB 4.42Å; M241-Q278 VanDerWaalsContact CE-OE1 3.22Å; M241-Q278 HydrophobicContact SD-CB 4.16Å; M241-Q278 PolarHBondContact SD-OE1 2.76Å; L274-Q278 PolarHBondContact O-N 3.05Å; Q275-Q278 WeakPolarHBondContact O-CA 3Å; Q275-Q278 WeakPolarHBondContact O-CB 3.35Å; Q275-Q278 PolarHBondContact O-N 3.01Å; Q278-E280 PolarHBondContact O-N 3.21Å; Q278-I281 PolarHBondContact O-N 3.37Å; Q278-I281 VanDerWaalsContact O-N 3.15Å; Q278-E282 HydrophobicContact CG-CG 4.46Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.39Å; Q278-E282 PolarHBondContact NE2-OE1 2.7Å; Q278-E282 PolarHBondContact O-N 3.14Å
279	D	95.1	Very high	95.4	Very high	75 Å²	75	55.3 Å²	55.3	40%	0.401	27%	0.269	S	S	.	.	H	α-helix	trans	-54.8	-38.9	179.8	-59	-8.2	0	0	0	110.1	Q275 E282 N283	Q275-D279 PolarHBondContact NE2-OD1 2.93Å; Q275-D279 PolarHBondContact O-N 3.21Å; D279-E282 PolarHBondContact O-N 2.96Å; D279-N283 VanDerWaalsContact O-CG 3.28Å; D279-N283 PolarHBondContact O-N 2.88Å; D279-N283 PolarHBondContact O-ND2 3.28Å
280	E	95.9	Very high	95.6	Very high	69 Å²	69	57.5 Å²	57.5	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-75.4	-36.9	179.3	-163.5	46.9	-130.3	0	0	114.2	E276 Q278 E282 N283 M284	E276-E280 PolarHBondContact O-N 3.25Å; Q278-E280 PolarHBondContact O-N 3.21Å; E280-E282 VanDerWaalsContact C-N 3.27Å; E280-E282 PolarHBondContact O-N 3.33Å; E280-N283 WeakPolarHBondContact O-CB 3.43Å; E280-N283 PolarHBondContact O-N 3.17Å; E280-N283 PolarHBondContact OE2-ND2 3.03Å; E280-M284 HydrophobicContact CG-CE 3.94Å; E280-M284 PolarHBondContact O-N 3Å
281	I	97.2	Very high	95.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-36.2	169.6	-63.4	-69.1	0	0	0	110.3	I191 Y192 L230 V233 A234 L237 N277 Q278 M284 M285	I191-I281 HydrophobicContact CD1-CD1 3.77Å; I191-I281 HydrophobicContact CG1-CD1 4.15Å; I191-I281 HydrophobicContact CG2-CD1 4.48Å; Y192-I281 HydrophobicContact CE1-CD1 3.98Å; Y192-I281 HydrophobicContact CE1-CG1 3.89Å; L230-I281 HydrophobicContact CB-CG2 4.35Å; L230-I281 HydrophobicContact CD2-CD1 3.8Å; L230-I281 HydrophobicContact CD2-CG2 4.25Å; V233-I281 HydrophobicContact CB-CD1 4.39Å; V233-I281 HydrophobicContact CG1-CD1 3.82Å; V233-I281 HydrophobicContact CG1-CG1 4.04Å; A234-I281 HydrophobicContact CB-CG2 4.01Å; L237-I281 HydrophobicContact CD1-CB 4.44Å; L237-I281 HydrophobicContact CD1-CG1 3.82Å; N277-I281 WeakPolarHBondContact O-CG1 3.22Å; N277-I281 PolarHBondContact O-N 3.3Å; Q278-I281 PolarHBondContact O-N 3.37Å; Q278-I281 VanDerWaalsContact O-N 3.15Å; I281-M284 HydrophobicContact CD1-CE 3.97Å; I281-M284 PolarHBondContact O-N 3.12Å; I281-M285 HydrophobicContact CG2-CE 4.16Å; I281-M285 HydrophobicContact CG2-CG 4.4Å; I281-M285 HydrophobicContact CG2-SD 4.39Å; I281-M285 WeakPolarHBondContact O-CB 3.36Å; I281-M285 VanDerWaalsContact O-CG 3.27Å; I281-M285 WeakPolarHBondContact O-CG 3.5Å; I281-M285 PolarHBondContact O-N 2.9Å
282	E	95.1	Very high	96.1	Very high	73 Å²	73	50.9 Å²	50.9	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-68.1	-34	174.1	-73.8	-174.6	-153.5	0	0	112.8	Q278 D279 E280 M285 N286	Q278-E282 HydrophobicContact CG-CG 4.46Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.39Å; Q278-E282 PolarHBondContact NE2-OE1 2.7Å; Q278-E282 PolarHBondContact O-N 3.14Å; D279-E282 PolarHBondContact O-N 2.96Å; E280-E282 VanDerWaalsContact C-N 3.27Å; E280-E282 PolarHBondContact O-N 3.33Å; E282-M285 HydrophobicContact CB-CE 4.45Å; E282-M285 HydrophobicContact CG-CE 3.78Å; E282-N286 VanDerWaalsContact O-CB 3.28Å; E282-N286 WeakPolarHBondContact O-CB 3.5Å; E282-N286 PolarHBondContact O-N 3.17Å; E282-N286 PolarHBondContact O-ND2 3.27Å
283	N	96.6	Very high	96.3	Very high	91 Å²	91	46.1 Å²	46.1	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-53	170.3	-72.4	-28.5	0	0	0	111.3	D279 E280 M285 N286 A287	D279-N283 VanDerWaalsContact O-CG 3.28Å; D279-N283 PolarHBondContact O-N 2.88Å; D279-N283 PolarHBondContact O-ND2 3.28Å; E280-N283 WeakPolarHBondContact O-CB 3.43Å; E280-N283 PolarHBondContact O-N 3.17Å; E280-N283 PolarHBondContact OE2-ND2 3.03Å; N283-M285 PolarHBondContact O-N 3.45Å; N283-N286 WeakPolarHBondContact O-CB 3.37Å; N283-N286 PolarHBondContact O-N 3.47Å; N283-A287 PolarHBondContact O-N 2.74Å
284	M	97.8	Very high	96.5	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-43.6	177.2	-70.8	-179.6	-116.6	0	0	112.7	I191 M197 I201 L230 E280 I281 A287 I288	I191-M284 HydrophobicContact CG1-CE 4.5Å; I191-M284 WeakPolarHBondContact O-CE 3.43Å; M197-M284 HydrophobicContact CB-SD 3.54Å; M197-M284 VanDerWaalsContact CB-SD 3.54Å; M197-M284 HydrophobicContact CE-SD 3.72Å; M197-M284 HydrophobicContact CG-SD 3.65Å; I201-M284 HydrophobicContact CD1-CB 3.8Å; I201-M284 HydrophobicContact CD1-CG 3.86Å; I201-M284 HydrophobicContact CD1-SD 4.43Å; L230-M284 HydrophobicContact CD1-CB 3.94Å; L230-M284 HydrophobicContact CD2-CB 4.48Å; L230-M284 HydrophobicContact CD2-SD 4.13Å; E280-M284 HydrophobicContact CG-CE 3.94Å; E280-M284 PolarHBondContact O-N 3Å; I281-M284 HydrophobicContact CD1-CE 3.97Å; I281-M284 PolarHBondContact O-N 3.12Å; M284-A287 PolarHBondContact O-N 3.01Å; M284-I288 PolarHBondContact O-N 3.32Å; M284-I288 VanDerWaalsContact O-N 3.1Å
285	M	97.8	Very high	96.7	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-42.4	175.6	-75.8	-167.6	-55.7	0	0	111.7	M227 L230 V231 A234 I281 E282 N283 A287 I288 F289 F323	M227-M285 HydrophobicContact CE-CB 3.77Å; M227-M285 HydrophobicContact CE-CG 4.06Å; M227-M285 HydrophobicContact CE-SD 4.35Å; M227-M285 HydrophobicContact SD-CB 3.73Å; M227-M285 HydrophobicContact SD-CG 3.73Å; L230-M285 HydrophobicContact CB-CG 3.68Å; L230-M285 HydrophobicContact CB-SD 4.24Å; L230-M285 HydrophobicContact CD1-CG 4.3Å; V231-M285 HydrophobicContact CB-SD 4.44Å; V231-M285 HydrophobicContact CG2-SD 3.73Å; A234-M285 HydrophobicContact CB-CE 3.91Å; A234-M285 HydrophobicContact CB-SD 4.41Å; I281-M285 HydrophobicContact CG2-CE 4.16Å; I281-M285 HydrophobicContact CG2-CG 4.4Å; I281-M285 HydrophobicContact CG2-SD 4.39Å; I281-M285 WeakPolarHBondContact O-CB 3.36Å; I281-M285 VanDerWaalsContact O-CG 3.27Å; I281-M285 WeakPolarHBondContact O-CG 3.5Å; I281-M285 PolarHBondContact O-N 2.9Å; E282-M285 HydrophobicContact CB-CE 4.45Å; E282-M285 HydrophobicContact CG-CE 3.78Å; N283-M285 PolarHBondContact O-N 3.45Å; M285-A287 VanDerWaalsContact C-N 3.35Å; M285-A287 PolarHBondContact O-N 3.4Å; M285-I288 PolarHBondContact O-N 3Å; M285-F289 VanDerWaalsContact O-CB 3.24Å; M285-F289 WeakPolarHBondContact O-CB 3.49Å; M285-F289 PolarHBondContact O-N 3.29Å; M285-F323 HydrophobicContact CE-CZ 4.49Å; M285-F323 HydrophobicContact SD-CE2 4.42Å; M285-F323 HydrophobicContact SD-CZ 4.05Å
286	N	97	Very high	96.9	Very high	64 Å²	64	44.1 Å²	44.1	34%	0.342	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-39.8	174.9	-92	-89.4	0	0	0	112.2	E282 N283 F289 K290	E282-N286 VanDerWaalsContact O-CB 3.28Å; E282-N286 WeakPolarHBondContact O-CB 3.5Å; E282-N286 PolarHBondContact O-N 3.17Å; E282-N286 PolarHBondContact O-ND2 3.27Å; N283-N286 WeakPolarHBondContact O-CB 3.37Å; N283-N286 PolarHBondContact O-N 3.47Å; N286-F289 PolarHBondContact O-N 3.17Å; N286-K290 VanDerWaalsContact O-CB 3.29Å; N286-K290 WeakPolarHBondContact O-CB 3.34Å; N286-K290 WeakPolarHBondContact O-CG 3.4Å; N286-K290 PolarHBondContact O-N 3.49Å; N286-K290 WeakPolarHBondContact OD1-CE 3.46Å; N286-K290 PolarHBondContact OD1-NZ 3.25Å
287	A	97.1	Very high	97.1	Very high	45 Å²	45	41.3 Å²	41.3	37%	0.372	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-48.4	178.4	0	0	0	0	0	111.5	I201 N283 M284 M285 G291	I201-A287 HydrophobicContact CG2-CB 4.1Å; N283-A287 PolarHBondContact O-N 2.74Å; M284-A287 PolarHBondContact O-N 3.01Å; M285-A287 VanDerWaalsContact C-N 3.35Å; M285-A287 PolarHBondContact O-N 3.4Å; A287-G291 WeakPolarHBondContact O-CA 3.2Å; A287-G291 PolarHBondContact O-N 2.98Å
288	I	98.4	Very high	97.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-40.9	176.4	-61.2	168.2	0	0	0	111.3	I201 A223 M224 L226 M227 L230 M284 M285 V292 F293	I201-I288 HydrophobicContact CD1-CD1 4.13Å; I201-I288 HydrophobicContact CD1-CG1 4.19Å; I201-I288 HydrophobicContact CG1-CD1 4.09Å; I201-I288 HydrophobicContact CG1-CG1 4.03Å; I201-I288 HydrophobicContact CG2-CG1 4.06Å; A223-I288 HydrophobicContact CB-CG2 4.1Å; M224-I288 HydrophobicContact CE-CG2 3.85Å; L226-I288 HydrophobicContact CB-CD1 4.31Å; L226-I288 HydrophobicContact CD2-CD1 3.8Å; L226-I288 HydrophobicContact CG-CD1 3.74Å; M227-I288 HydrophobicContact CB-CD1 4.46Å; M227-I288 HydrophobicContact CB-CG2 4.08Å; M227-I288 HydrophobicContact SD-CB 4.31Å; L230-I288 HydrophobicContact CD1-CD1 3.68Å; M284-I288 PolarHBondContact O-N 3.32Å; M284-I288 VanDerWaalsContact O-N 3.1Å; M285-I288 PolarHBondContact O-N 3Å; I288-V292 HydrophobicContact CG2-CB 4.44Å; I288-V292 HydrophobicContact CG2-CG2 4.45Å; I288-V292 WeakPolarHBondContact O-CA 3.37Å; I288-V292 VanDerWaalsContact O-CB 3.31Å; I288-V292 WeakPolarHBondContact O-CB 3.46Å; I288-V292 PolarHBondContact O-N 3.1Å; I288-F293 PolarHBondContact O-N 3.35Å; I288-F293 VanDerWaalsContact O-N 3.16Å
289	F	98.3	Very high	97.5	Very high	21 Å²	21	44.8 Å²	44.8	9%	0.092	22%	0.223	C	C	.	.	I	π-helix	trans	-65.7	-46	-178.3	-170.5	-100	0	0	0	112.3	M227 M285 N286 F293 V294 I312 W315 Y328 Y331	M227-F289 HydrophobicContact CE-CB 4.34Å; M285-F289 VanDerWaalsContact O-CB 3.24Å; M285-F289 WeakPolarHBondContact O-CB 3.49Å; M285-F289 PolarHBondContact O-N 3.29Å; N286-F289 PolarHBondContact O-N 3.17Å; F289-F293 HydrophobicContact CD2-CB 3.89Å; F289-F293 AromaticContact CD2-CD1 3.75Å; F289-F293 HydrophobicContact CD2-CD1 3.75Å; F289-F293 AromaticContact CD2-CG 3.9Å; F289-F293 HydrophobicContact CD2-CG 3.9Å; F289-F293 HydrophobicContact CE1-CD1 4.46Å; F289-F293 HydrophobicContact CE2-CB 4.26Å; F289-F293 AromaticContact CE2-CD1 3.23Å; F289-F293 HydrophobicContact CE2-CD1 3.23Å; F289-F293 AromaticContact CE2-CE1 3.67Å; F289-F293 HydrophobicContact CE2-CE1 3.67Å; F289-F293 AromaticContact CE2-CG 3.77Å; F289-F293 HydrophobicContact CE2-CG 3.77Å; F289-F293 HydrophobicContact CE2-CZ 4.49Å; F289-F293 HydrophobicContact CG-CB 4.45Å; F289-F293 AromaticContact CZ-CD1 3.65Å; F289-F293 HydrophobicContact CZ-CD1 3.65Å; F289-F293 AromaticContact CZ-CE1 3.91Å; F289-F293 HydrophobicContact CZ-CE1 3.91Å; F289-F293 WeakPolarHBondContact O-CB 3.37Å; F289-F293 PolarHBondContact O-N 2.94Å; F289-V294 HydrophobicContact CD1-CG1 4.07Å; F289-V294 HydrophobicContact CE1-CG1 3.73Å; F289-V294 HydrophobicContact CZ-CG1 4.19Å; F289-V294 PolarHBondContact O-N 3.42Å; F289-I312 HydrophobicContact CE2-CD1 4.38Å; F289-W315 AromaticContact CD2-CZ3 3.91Å; F289-W315 HydrophobicContact CD2-CZ3 3.91Å; F289-W315 HydrophobicContact CE2-CZ3 4.06Å; F289-Y328 HydrophobicContact CD2-CE1 4.14Å; F289-Y328 HydrophobicContact CE1-CE1 4.19Å; F289-Y328 AromaticContact CE2-CD1 3.76Å; F289-Y328 HydrophobicContact CE2-CD1 3.76Å; F289-Y328 AromaticContact CE2-CE1 3.6Å; F289-Y328 HydrophobicContact CE2-CE1 3.6Å; F289-Y328 AromaticContact CZ-CD1 3.76Å; F289-Y328 HydrophobicContact CZ-CD1 3.76Å; F289-Y328 AromaticContact CZ-CE1 3.62Å; F289-Y328 HydrophobicContact CZ-CE1 3.62Å; F289-Y331 HydrophobicContact CE1-CE2 4.39Å; F289-Y331 HydrophobicContact CZ-CD2 4.39Å; F289-Y331 AromaticContact CZ-CE2 3.69Å; F289-Y331 HydrophobicContact CZ-CE2 3.69Å
290	K	97.3	Very high	97.6	Very high	128 Å²	128	45.5 Å²	45.5	56%	0.557	24%	0.239	S	C	*	.	I	π-helix	trans	-80	-35.2	-179.2	-68.2	166.2	176.1	158.9	0	113	N286 V294 H295	N286-K290 VanDerWaalsContact O-CB 3.29Å; N286-K290 WeakPolarHBondContact O-CB 3.34Å; N286-K290 WeakPolarHBondContact O-CG 3.4Å; N286-K290 PolarHBondContact O-N 3.49Å; N286-K290 WeakPolarHBondContact OD1-CE 3.46Å; N286-K290 PolarHBondContact OD1-NZ 3.25Å; K290-V294 WeakPolarHBondContact O-CG2 3.22Å; K290-H295 PolarHBondContact O-CD2 3.15Å
291	G	96.4	Very high	97.7	Very high	28 Å²	28	43.6 Å²	43.6	29%	0.289	23%	0.231	S	C	.	.	I	π-helix	trans	-78.9	-37.6	178.9	0	0	0	0	0	113.8	A287	A287-G291 WeakPolarHBondContact O-CA 3.2Å; A287-G291 PolarHBondContact O-N 2.98Å
292	V	98.6	Very high	97.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.237	C	C	.	.	I	π-helix	trans	-113.3	-62.7	-174.1	-169.2	0	0	0	0	112.1	T205 T220 A223 M224 I288 V294 H295 R296	T205-V292 HydrophobicContact CG2-CG2 4.39Å; T220-V292 HydrophobicContact CG2-CG1 4.29Å; A223-V292 HydrophobicContact CB-CB 4.35Å; A223-V292 HydrophobicContact CB-CG1 4.05Å; A223-V292 HydrophobicContact CB-CG2 4.06Å; M224-V292 HydrophobicContact CE-CB 3.99Å; M224-V292 HydrophobicContact CE-CG1 3.78Å; I288-V292 HydrophobicContact CG2-CB 4.44Å; I288-V292 HydrophobicContact CG2-CG2 4.45Å; I288-V292 WeakPolarHBondContact O-CA 3.37Å; I288-V292 VanDerWaalsContact O-CB 3.31Å; I288-V292 WeakPolarHBondContact O-CB 3.46Å; I288-V292 PolarHBondContact O-N 3.1Å; V292-V294 PolarHBondContact O-N 2.87Å; V292-H295 PolarHBondContact O-N 3.33Å; V292-H295 VanDerWaalsContact O-N 3.13Å; V292-R296 HydrophobicContact CG1-CB 4.4Å; V292-R296 HydrophobicContact CG1-CG 3.86Å; V292-R296 WeakPolarHBondContact O-CB 3.49Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.33Å
293	F	98.8	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-58.2	-52.6	-167	174.2	-88.1	0	0	0	112.6	M224 I288 F289 H295 R296 Y297 C308 I312 W315 Y331	M224-F293 HydrophobicContact CE-CB 4.15Å; M224-F293 HydrophobicContact SD-CB 4.16Å; M224-F293 HydrophobicContact SD-CD2 3.89Å; I288-F293 PolarHBondContact O-N 3.35Å; I288-F293 VanDerWaalsContact O-N 3.16Å; F289-F293 HydrophobicContact CD2-CB 3.89Å; F289-F293 AromaticContact CD2-CD1 3.75Å; F289-F293 HydrophobicContact CD2-CD1 3.75Å; F289-F293 AromaticContact CD2-CG 3.9Å; F289-F293 HydrophobicContact CD2-CG 3.9Å; F289-F293 HydrophobicContact CE1-CD1 4.46Å; F289-F293 HydrophobicContact CE2-CB 4.26Å; F289-F293 AromaticContact CE2-CD1 3.23Å; F289-F293 HydrophobicContact CE2-CD1 3.23Å; F289-F293 AromaticContact CE2-CE1 3.67Å; F289-F293 HydrophobicContact CE2-CE1 3.67Å; F289-F293 AromaticContact CE2-CG 3.77Å; F289-F293 HydrophobicContact CE2-CG 3.77Å; F289-F293 HydrophobicContact CE2-CZ 4.49Å; F289-F293 HydrophobicContact CG-CB 4.45Å; F289-F293 AromaticContact CZ-CD1 3.65Å; F289-F293 HydrophobicContact CZ-CD1 3.65Å; F289-F293 AromaticContact CZ-CE1 3.91Å; F289-F293 HydrophobicContact CZ-CE1 3.91Å; F289-F293 WeakPolarHBondContact O-CB 3.37Å; F289-F293 PolarHBondContact O-N 2.94Å; F293-H295 PolarHBondContact O-N 2.89Å; F293-R296 PolarHBondContact O-N 3.28Å; F293-R296 VanDerWaalsContact O-N 3.12Å; F293-Y297 HydrophobicContact CE1-CD1 4.35Å; F293-Y297 HydrophobicContact CE1-CG 4.39Å; F293-Y297 HydrophobicContact CZ-CG 4.36Å; F293-Y297 WeakPolarHBondContact O-CD1 3.38Å; F293-Y297 PolarHBondContact O-N 3.13Å; F293-C308 HydrophobicContact CD2-CB 3.88Å; F293-C308 HydrophobicContact CE2-CB 3.8Å; F293-C308 WeakPolarHBondContact CE2-O 3.49Å; F293-I312 HydrophobicContact CE1-CD1 3.94Å; F293-I312 HydrophobicContact CE2-CB 3.86Å; F293-I312 HydrophobicContact CE2-CD1 3.99Å; F293-I312 HydrophobicContact CE2-CG1 4.49Å; F293-I312 HydrophobicContact CE2-CG2 4Å; F293-I312 HydrophobicContact CZ-CB 4.18Å; F293-I312 HydrophobicContact CZ-CD1 3.44Å; F293-I312 VanDerWaalsContact CZ-CD1 3.44Å; F293-I312 HydrophobicContact CZ-CG1 4.39Å; F293-I312 HydrophobicContact CZ-CG2 4.17Å; F293-W315 AromaticContact CD2-CH2 3.8Å; F293-W315 HydrophobicContact CD2-CH2 3.8Å; F293-W315 HydrophobicContact CD2-CZ3 4.04Å; F293-W315 HydrophobicContact CE2-CH2 4.44Å; F293-W315 HydrophobicContact CE2-CZ3 4.41Å; F293-W315 HydrophobicContact CG-CH2 4.32Å; F293-W315 HydrophobicContact CG-CZ3 4.39Å; F293-Y331 HydrophobicContact CE1-CD1 4.02Å; F293-Y331 AromaticContact CE1-CD2 3.77Å; F293-Y331 HydrophobicContact CE1-CD2 3.77Å; F293-Y331 HydrophobicContact CE1-CE1 4.31Å; F293-Y331 HydrophobicContact CE1-CE2 4.09Å; F293-Y331 AromaticContact CE1-CG 3.74Å; F293-Y331 HydrophobicContact CE1-CG 3.74Å; F293-Y331 HydrophobicContact CZ-CD2 4.27Å; F293-Y331 HydrophobicContact CZ-CG 4.06Å
294	V	98.3	Very high	97.9	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.158	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-7.6	-176.5	-60.1	0	0	0	0	114.3	F289 K290 V292 Y297 R298	F289-V294 HydrophobicContact CD1-CG1 4.07Å; F289-V294 HydrophobicContact CE1-CG1 3.73Å; F289-V294 HydrophobicContact CZ-CG1 4.19Å; F289-V294 PolarHBondContact O-N 3.42Å; K290-V294 WeakPolarHBondContact O-CG2 3.22Å; V292-V294 PolarHBondContact O-N 2.87Å; V294-Y297 WeakPolarHBondContact O-CE1 3.47Å; V294-R298 VanDerWaalsContact O-CZ 3.32Å; V294-R298 PolarHBondContact O-NE 3.39Å; V294-R298 PolarHBondContact O-NH2 2.93Å
295	H	98.1	Very high	98	Very high	82 Å²	82	40.5 Å²	40.5	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-101.9	-38.4	171.1	-67.1	-88.8	0	0	0	111.9	K290 V292 F293 R298	K290-H295 PolarHBondContact O-CD2 3.15Å; V292-H295 PolarHBondContact O-N 3.33Å; V292-H295 VanDerWaalsContact O-N 3.13Å; F293-H295 PolarHBondContact O-N 2.89Å; H295-R298 WeakPolarHBondContact O-CG 3.15Å
296	R	98.4	Very high	98	Very high	30 Å²	30	40.2 Å²	40.2	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-90.6	-22.1	-171.4	-61.6	-66.5	126.5	-108.4	-9.4	115.4	S208 D209 T220 V292 F293 R298 D299 I304	S208-R296 WeakPolarHBondContact O-CD 3.38Å; S208-R296 PolarHBondContact O-NE 2.96Å; D209-R296 IonicContact OD1-NH2 2.75Å; T220-R296 HydrophobicContact CG2-CB 3.8Å; T220-R296 HydrophobicContact CG2-CG 4.18Å; T220-R296 WeakPolarHBondContact OG1-CG 3.31Å; V292-R296 HydrophobicContact CG1-CB 4.4Å; V292-R296 HydrophobicContact CG1-CG 3.86Å; V292-R296 WeakPolarHBondContact O-CB 3.49Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.33Å; F293-R296 PolarHBondContact O-N 3.28Å; F293-R296 VanDerWaalsContact O-N 3.12Å; R296-R298 PolarHBondContact O-N 3.09Å; R296-D299 WeakPolarHBondContact CD-OD2 3.39Å; R296-D299 IonicContact CZ-OD2 2.63Å; R296-D299 IonicContact NE-OD2 2.71Å; R296-D299 IonicContact NH1-OD2 3.76Å; R296-D299 PolarHBondContact NH1-OD2 3.28Å; R296-D299 WeakPolarHBondContact O-CB 3.45Å; R296-D299 PolarHBondContact O-N 3.47Å; R296-D299 VanDerWaalsContact O-N 3.09Å; R296-I304 HydrophobicContact CB-CG2 4.07Å
297	Y	98.4	Very high	98.1	Very high	32 Å²	32	37.8 Å²	37.8	13%	0.125	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.7	169.7	92.6	-84.1	0	0	0	112.9	F293 V294 R305 Y331	F293-Y297 HydrophobicContact CE1-CD1 4.35Å; F293-Y297 HydrophobicContact CE1-CG 4.39Å; F293-Y297 HydrophobicContact CZ-CG 4.36Å; F293-Y297 WeakPolarHBondContact O-CD1 3.38Å; F293-Y297 PolarHBondContact O-N 3.13Å; V294-Y297 WeakPolarHBondContact O-CE1 3.47Å; Y297-R305 WeakPolarHBondContact O-CB 3.5Å; Y297-R305 VanDerWaalsContact O-CD 3.26Å; Y297-R305 WeakPolarHBondContact O-CD 3.37Å; Y297-R305 VanDerWaalsContact O-CG 3.23Å; Y297-R305 WeakPolarHBondContact O-CG 3.14Å; Y297-Y331 HydrophobicContact CD1-CD1 4.23Å; Y297-Y331 HydrophobicContact CD2-CD1 4.22Å; Y297-Y331 AromaticContact CE1-CD1 3.85Å; Y297-Y331 HydrophobicContact CE1-CD1 3.85Å; Y297-Y331 AromaticContact CE1-CE1 3.92Å; Y297-Y331 HydrophobicContact CE1-CE1 3.92Å; Y297-Y331 AromaticContact CE2-CD1 3.85Å; Y297-Y331 HydrophobicContact CE2-CD1 3.85Å; Y297-Y331 HydrophobicContact CG-CD1 4.4Å; Y297-Y331 AromaticContact CZ-CD1 3.65Å; Y297-Y331 AromaticContact CZ-CE1 3.99Å
298	R	98.1	Very high	98.2	Very high	149 Å²	149	35.7 Å²	35.7	56%	0.562	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.2	30.9	178.4	58.5	178.6	165.4	149	0.1	112.7	V294 H295 R296	V294-R298 VanDerWaalsContact O-CZ 3.32Å; V294-R298 PolarHBondContact O-NE 3.39Å; V294-R298 PolarHBondContact O-NH2 2.93Å; H295-R298 WeakPolarHBondContact O-CG 3.15Å; R296-R298 PolarHBondContact O-N 3.09Å
299	D	98.6	Very high	98.2	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.032	18%	0.183	C	C	.	.			trans	-60.6	156.9	170.8	-152.5	-77	0	0	0	111.8	R216 R296 I301 I304 R305	R216-D299 WeakPolarHBondContact CD-OD2 3.28Å; R216-D299 IonicContact CZ-OD1 3.29Å; R216-D299 IonicContact CZ-OD2 2.75Å; R216-D299 IonicContact NE-OD1 3.09Å; R216-D299 IonicContact NE-OD2 3.12Å; R216-D299 PolarHBondContact NE-OD2 3.2Å; R216-D299 IonicContact NH2-OD1 3.98Å; R216-D299 PolarHBondContact NH2-OD1 2.93Å; R216-D299 IonicContact NH2-OD2 3.73Å; R296-D299 WeakPolarHBondContact CD-OD2 3.39Å; R296-D299 IonicContact CZ-OD2 2.63Å; R296-D299 IonicContact NE-OD2 2.71Å; R296-D299 IonicContact NH1-OD2 3.76Å; R296-D299 PolarHBondContact NH1-OD2 3.28Å; R296-D299 WeakPolarHBondContact O-CB 3.45Å; R296-D299 PolarHBondContact O-N 3.47Å; R296-D299 VanDerWaalsContact O-N 3.09Å; D299-I301 PolarHBondContact O-N 3.27Å; D299-I301 PolarHBondContact OD1-N 3.39Å; D299-I304 HydrophobicContact CB-CB 3.95Å; D299-I304 HydrophobicContact CB-CG2 3.85Å; D299-R305 HydrophobicContact CB-CG 4.27Å; D299-R305 WeakPolarHBondContact O-CD 3.36Å; D299-R305 WeakPolarHBondContact O-CG 3.33Å; D299-R305 PolarHBondContact O-NH1 2.77Å
300	A	97.5	Very high	98.2	Very high	90 Å²	90	38.1 Å²	38.1	74%	0.744	20%	0.195	S	C	*	.	S	Bend	trans	-63.1	-34.7	169.1	0	0	0	0	0	111.6	R305	A300-R305 PolarHBondContact O-NH1 3.2Å
301	I	97.8	Very high	98.3	Very high	30 Å²	30	32.2 Å²	32.2	15%	0.154	17%	0.17	C	C	.	.	S	Bend	trans	-81.8	123.6	-178.6	-50.7	-55.6	0	0	0	110.8	R213 D299 E303 I304 R305	R213-I301 HydrophobicContact CG-CG1 4.18Å; D299-I301 PolarHBondContact O-N 3.27Å; D299-I301 PolarHBondContact OD1-N 3.39Å; I301-E303 HydrophobicContact CG2-CB 4.4Å; I301-I304 HydrophobicContact CB-CB 4.46Å; I301-I304 HydrophobicContact CB-CD1 3.89Å; I301-I304 HydrophobicContact CB-CG1 3.98Å; I301-I304 HydrophobicContact CG1-CD1 4.27Å; I301-I304 HydrophobicContact CG2-CD1 4.29Å; I301-I304 HydrophobicContact CG2-CG1 4.05Å; I301-I304 PolarHBondContact O-N 3.46Å; I301-R305 PolarHBondContact O-N 3.47Å
302	A	98.1	Very high	98.3	Very high	14 Å²	14	30.9 Å²	30.9	12%	0.116	16%	0.156	C	C	.	.	H	α-helix	trans	-68	-41.5	-172.7	0	0	0	0	0	113.7	I304 R305 A306 Q340 E342 V343	A302-I304 PolarHBondContact O-N 2.94Å; A302-I304 VanDerWaalsContact O-N 3.16Å; A302-R305 WeakPolarHBondContact O-CB 3.23Å; A302-R305 PolarHBondContact O-N 2.83Å; A302-A306 PolarHBondContact O-N 3.22Å; A302-Q340 HydrophobicContact CB-CB 3.97Å; A302-Q340 HydrophobicContact CB-CG 3.78Å; A302-E342 HydrophobicContact CB-CG 4.43Å; A302-E342 WeakPolarHBondContact CB-OE1 3.28Å; A302-V343 HydrophobicContact CB-CG2 3.95Å
303	E	97.6	Very high	98.3	Very high	62 Å²	62	31.1 Å²	31.1	29%	0.29	16%	0.158	S	C	.	.	H	α-helix	trans	-51.1	-39	171.9	-64.9	179.8	-107.9	0	0	113	H217 I301 A306 I307 E342	H217-E303 IonicContact CE1-OE2 3.21Å; H217-E303 PolarHBondContact CE1-OE2 2.69Å; H217-E303 IonicContact ND1-OE2 3.96Å; I301-E303 HydrophobicContact CG2-CB 4.4Å; E303-A306 PolarHBondContact O-N 2.88Å; E303-I307 WeakPolarHBondContact O-CD1 3.49Å; E303-I307 VanDerWaalsContact O-CG1 3.3Å; E303-I307 WeakPolarHBondContact O-CG1 3.49Å; E303-I307 PolarHBondContact O-N 3.02Å; E303-E342 PolarHBondContact N-OE1 3.33Å
304	I	98.7	Very high	98.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-41.8	-179.9	-57.8	-176.3	0	0	0	110.3	R216 H217 T220 R296 D299 I301 A302 I307 C308	R216-I304 HydrophobicContact CG-CD1 4.29Å; H217-I304 HydrophobicContact CB-CD1 3.88Å; H217-I304 HydrophobicContact CB-CG1 4Å; T220-I304 HydrophobicContact CG2-CG2 3.91Å; R296-I304 HydrophobicContact CB-CG2 4.07Å; D299-I304 HydrophobicContact CB-CB 3.95Å; D299-I304 HydrophobicContact CB-CG2 3.85Å; I301-I304 HydrophobicContact CB-CB 4.46Å; I301-I304 HydrophobicContact CB-CD1 3.89Å; I301-I304 HydrophobicContact CB-CG1 3.98Å; I301-I304 HydrophobicContact CG1-CD1 4.27Å; I301-I304 HydrophobicContact CG2-CD1 4.29Å; I301-I304 HydrophobicContact CG2-CG1 4.05Å; I301-I304 PolarHBondContact O-N 3.46Å; A302-I304 PolarHBondContact O-N 2.94Å; A302-I304 VanDerWaalsContact O-N 3.16Å; I304-I307 PolarHBondContact O-N 3.48Å; I304-C308 PolarHBondContact O-N 3.4Å
305	R	98.8	Very high	98.2	Very high	28 Å²	28	32.6 Å²	32.6	11%	0.106	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-45.2	173.5	-57.9	-161.4	-64.2	-75.7	1.9	111.2	Y297 D299 A300 I301 A302 I307 C308 I309 D338 V343	Y297-R305 WeakPolarHBondContact O-CB 3.5Å; Y297-R305 VanDerWaalsContact O-CD 3.26Å; Y297-R305 WeakPolarHBondContact O-CD 3.37Å; Y297-R305 VanDerWaalsContact O-CG 3.23Å; Y297-R305 WeakPolarHBondContact O-CG 3.14Å; D299-R305 HydrophobicContact CB-CG 4.27Å; D299-R305 WeakPolarHBondContact O-CD 3.36Å; D299-R305 WeakPolarHBondContact O-CG 3.33Å; D299-R305 PolarHBondContact O-NH1 2.77Å; A300-R305 PolarHBondContact O-NH1 3.2Å; I301-R305 PolarHBondContact O-N 3.47Å; A302-R305 WeakPolarHBondContact O-CB 3.23Å; A302-R305 PolarHBondContact O-N 2.83Å; R305-I307 VanDerWaalsContact C-N 3.35Å; R305-I307 PolarHBondContact O-N 3.27Å; R305-C308 PolarHBondContact O-N 3.03Å; R305-I309 WeakPolarHBondContact O-CG1 3.47Å; R305-I309 PolarHBondContact O-N 3.47Å; R305-D338 IonicContact CZ-OD1 2.78Å; R305-D338 IonicContact CZ-OD2 2.7Å; R305-D338 VanDerWaalsContact CZ-OD2 3.29Å; R305-D338 IonicContact NE-OD1 3.72Å; R305-D338 IonicContact NE-OD2 3.76Å; R305-D338 PolarHBondContact NE-OD2 3.12Å; R305-D338 IonicContact NH2-OD1 3.1Å; R305-D338 PolarHBondContact NH2-OD1 3.42Å; R305-D338 IonicContact NH2-OD2 3.83Å; R305-D338 PolarHBondContact NH2-OD2 2.93Å; R305-D338 VanDerWaalsContact NH2-OD2 3.1Å; R305-V343 HydrophobicContact CB-CG1 4.02Å; R305-V343 HydrophobicContact CB-CG2 4.09Å
306	A	98.6	Very high	98.1	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-43	177.8	0	0	0	0	0	112.3	A302 E303 I309 E310 V343 K346	A302-A306 PolarHBondContact O-N 3.22Å; E303-A306 PolarHBondContact O-N 2.88Å; A306-I309 PolarHBondContact O-N 3.24Å; A306-E310 WeakPolarHBondContact O-CB 3.22Å; A306-E310 PolarHBondContact O-N 3.12Å; A306-V343 HydrophobicContact CB-CG2 4.44Å; A306-K346 HydrophobicContact CB-CG 3.91Å
307	I	98.6	Very high	98	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-45	175.3	-75.9	163.5	0	0	0	111.9	H217 L221 M224 E303 I304 R305 E311	H217-I307 WeakPolarHBondContact NE2-CD1 3.4Å; L221-I307 HydrophobicContact CB-CD1 4.38Å; L221-I307 HydrophobicContact CB-CG2 4.46Å; L221-I307 HydrophobicContact CD1-CD1 4.21Å; L221-I307 HydrophobicContact CD1-CG1 4.34Å; L221-I307 HydrophobicContact CD1-CG2 3.92Å; M224-I307 HydrophobicContact CB-CG2 4.47Å; M224-I307 HydrophobicContact CG-CG2 4.16Å; E303-I307 WeakPolarHBondContact O-CD1 3.49Å; E303-I307 VanDerWaalsContact O-CG1 3.3Å; E303-I307 WeakPolarHBondContact O-CG1 3.49Å; E303-I307 PolarHBondContact O-N 3.02Å; I304-I307 PolarHBondContact O-N 3.48Å; R305-I307 VanDerWaalsContact C-N 3.35Å; R305-I307 PolarHBondContact O-N 3.27Å; I307-E311 WeakPolarHBondContact O-CG 3.5Å; I307-E311 PolarHBondContact O-N 3.39Å
308	C	98.8	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-43.1	176.7	-72.6	0	0	0	0	112.2	M224 F293 I304 R305 E311 I312	M224-C308 HydrophobicContact SD-CB 4.46Å; F293-C308 HydrophobicContact CD2-CB 3.88Å; F293-C308 HydrophobicContact CE2-CB 3.8Å; F293-C308 WeakPolarHBondContact CE2-O 3.49Å; I304-C308 PolarHBondContact O-N 3.4Å; R305-C308 PolarHBondContact O-N 3.03Å; C308-E311 PolarHBondContact O-N 2.97Å; C308-I312 WeakPolarHBondContact O-CG2 3.44Å; C308-I312 PolarHBondContact O-N 2.95Å; C308-I312 VanDerWaalsContact O-N 3.09Å
309	I	98.6	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.9	-36.5	-179.5	-66	-61.3	0	0	0	112.6	R305 A306 I312 G313 T335 V343 K346 C347	R305-I309 WeakPolarHBondContact O-CG1 3.47Å; R305-I309 PolarHBondContact O-N 3.47Å; A306-I309 PolarHBondContact O-N 3.24Å; I309-I312 WeakPolarHBondContact O-CG2 3.42Å; I309-G313 PolarHBondContact O-N 3.16Å; I309-T335 HydrophobicContact CD1-CG2 4.01Å; I309-T335 HydrophobicContact CG1-CG2 3.85Å; I309-V343 HydrophobicContact CG1-CG1 4.29Å; I309-K346 HydrophobicContact CB-CB 4.23Å; I309-K346 HydrophobicContact CG2-CB 3.8Å; I309-C347 HydrophobicContact CG2-CB 4.37Å
310	E	98.3	Very high	97.5	Very high	75 Å²	75	28.6 Å²	28.6	35%	0.35	16%	0.155	S	C	.	.	H	α-helix	trans	-62.4	-46.8	174.6	-179.5	154.8	-130.1	0	0	111.6	A306 G313 I314 K346	A306-E310 WeakPolarHBondContact O-CB 3.22Å; A306-E310 PolarHBondContact O-N 3.12Å; E310-G313 PolarHBondContact O-N 2.9Å; E310-I314 HydrophobicContact CG-CD1 4.28Å; E310-I314 WeakPolarHBondContact O-CG1 3.35Å; E310-I314 PolarHBondContact O-N 3.24Å; E310-I314 VanDerWaalsContact O-N 3.16Å; E310-K346 HydrophobicContact CB-CD 4.12Å; E310-K346 HydrophobicContact CB-CG 4.47Å; E310-K346 HydrophobicContact CG-CD 4.46Å; E310-K346 IonicContact OE1-NZ 3.63Å; E310-K346 PolarHBondContact OE1-NZ 3.38Å; E310-K346 VanDerWaalsContact OE2-CE 3.23Å; E310-K346 WeakPolarHBondContact OE2-CE 3.4Å; E310-K346 IonicContact OE2-NZ 3.98Å; E310-K346 PolarHBondContact OE2-NZ 2.89Å
311	E	98.4	Very high	97.2	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-75.4	-36.5	-175.5	-63.1	-67.9	117.8	0	0	113.1	M224 K225 T228 I307 C308 G313 I314 W315	M224-E311 HydrophobicContact CB-CB 3.87Å; M224-E311 HydrophobicContact CB-CG 3.69Å; K225-E311 WeakPolarHBondContact CD-OE2 3.34Å; K225-E311 WeakPolarHBondContact CE-OE1 3.46Å; K225-E311 IonicContact NZ-OE1 3.8Å; K225-E311 PolarHBondContact NZ-OE1 3.4Å; K225-E311 IonicContact NZ-OE2 2.8Å; K225-E311 PolarHBondContact NZ-OE2 3.36Å; T228-E311 WeakPolarHBondContact CB-OE2 3.47Å; T228-E311 PolarHBondContact OG1-OE2 3.21Å; I307-E311 WeakPolarHBondContact O-CG 3.5Å; I307-E311 PolarHBondContact O-N 3.39Å; C308-E311 PolarHBondContact O-N 2.97Å; E311-G313 VanDerWaalsContact C-N 3.27Å; E311-G313 PolarHBondContact O-N 3.45Å; E311-I314 CarbonylContact O-C 3.51Å; E311-I314 WeakPolarHBondContact O-CA 3.27Å; E311-I314 WeakPolarHBondContact O-CB 3.48Å; E311-I314 PolarHBondContact O-N 3.32Å; E311-I314 VanDerWaalsContact OE1-CD1 3.27Å; E311-I314 WeakPolarHBondContact OE1-CD1 3.31Å; E311-W315 HydrophobicContact CB-CZ2 3.87Å; E311-W315 VanDerWaalsContact O-CG 3.25Å; E311-W315 PolarHBondContact O-N 3.3Å; E311-W315 PolarHBondContact O-NE1 3.48Å
312	I	98.4	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-34.3	172.3	-168.7	169.9	0	0	0	112	F289 F293 C308 I309 I314 W315 M316 Y328 Y331 V332	F289-I312 HydrophobicContact CE2-CD1 4.38Å; F293-I312 HydrophobicContact CE1-CD1 3.94Å; F293-I312 HydrophobicContact CE2-CB 3.86Å; F293-I312 HydrophobicContact CE2-CD1 3.99Å; F293-I312 HydrophobicContact CE2-CG1 4.49Å; F293-I312 HydrophobicContact CE2-CG2 4Å; F293-I312 HydrophobicContact CZ-CB 4.18Å; F293-I312 HydrophobicContact CZ-CD1 3.44Å; F293-I312 VanDerWaalsContact CZ-CD1 3.44Å; F293-I312 HydrophobicContact CZ-CG1 4.39Å; F293-I312 HydrophobicContact CZ-CG2 4.17Å; C308-I312 WeakPolarHBondContact O-CG2 3.44Å; C308-I312 PolarHBondContact O-N 2.95Å; C308-I312 VanDerWaalsContact O-N 3.09Å; I309-I312 WeakPolarHBondContact O-CG2 3.42Å; I312-I314 VanDerWaalsContact C-N 3.31Å; I312-I314 PolarHBondContact O-N 2.69Å; I312-W315 HydrophobicContact CB-CE3 3.9Å; I312-W315 HydrophobicContact CB-CZ3 3.89Å; I312-W315 HydrophobicContact CD1-CZ3 4.49Å; I312-W315 HydrophobicContact CG1-CE3 3.84Å; I312-W315 HydrophobicContact CG1-CZ3 4.04Å; I312-W315 PolarHBondContact O-N 2.84Å; I312-M316 HydrophobicContact CG1-CE 4.34Å; I312-M316 WeakPolarHBondContact O-CG 3.2Å; I312-M316 PolarHBondContact O-N 3.37Å; I312-Y328 HydrophobicContact CD1-CD1 4.01Å; I312-Y331 HydrophobicContact CD1-CD2 4.04Å; I312-V332 HydrophobicContact CG2-CG2 4.25Å
313	G	96.9	Very high	96.9	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-41.5	169.5	0	0	0	0	0	112.6	I309 E310 E311 K317	I309-G313 PolarHBondContact O-N 3.16Å; E310-G313 PolarHBondContact O-N 2.9Å; E311-G313 VanDerWaalsContact C-N 3.27Å; E311-G313 PolarHBondContact O-N 3.45Å; G313-K317 WeakPolarHBondContact O-CB 3.31Å; G313-K317 PolarHBondContact O-N 3.45Å; G313-K317 VanDerWaalsContact O-N 3.07Å
314	I	97.4	Very high	96.9	Very high	58 Å²	58	28.2 Å²	28.2	30%	0.297	15%	0.146	S	C	.	.	H	α-helix	trans	-66.5	-41.6	175.7	-69.6	161.8	0	0	0	111.5	T228 E310 E311 I312 K317 M318	T228-I314 HydrophobicContact CG2-CG2 3.83Å; E310-I314 HydrophobicContact CG-CD1 4.28Å; E310-I314 WeakPolarHBondContact O-CG1 3.35Å; E310-I314 PolarHBondContact O-N 3.24Å; E310-I314 VanDerWaalsContact O-N 3.16Å; E311-I314 CarbonylContact O-C 3.51Å; E311-I314 WeakPolarHBondContact O-CA 3.27Å; E311-I314 WeakPolarHBondContact O-CB 3.48Å; E311-I314 PolarHBondContact O-N 3.32Å; E311-I314 VanDerWaalsContact OE1-CD1 3.27Å; E311-I314 WeakPolarHBondContact OE1-CD1 3.31Å; I312-I314 VanDerWaalsContact C-N 3.31Å; I312-I314 PolarHBondContact O-N 2.69Å; I314-K317 PolarHBondContact O-N 2.99Å; I314-M318 HydrophobicContact CG2-CE 3.86Å; I314-M318 WeakPolarHBondContact O-CB 3.2Å; I314-M318 PolarHBondContact O-N 3.41Å
315	W	98	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-47.1	177.4	-50	-23.8	0	0	0	111.6	M224 M227 T228 V231 F289 F293 E311 I312 K317 M318 Y319 F323	M224-W315 HydrophobicContact CB-CZ2 4.47Å; M224-W315 HydrophobicContact SD-CH2 3.8Å; M224-W315 HydrophobicContact SD-CZ2 4.01Å; M227-W315 HydrophobicContact CB-CH2 4.42Å; M227-W315 HydrophobicContact CB-CZ2 3.74Å; M227-W315 HydrophobicContact CE-CE3 4.27Å; M227-W315 HydrophobicContact CE-CZ3 4.36Å; M227-W315 HydrophobicContact CG-CD2 4.02Å; M227-W315 VanDerWaalsContact CG-CE2 3.47Å; M227-W315 HydrophobicContact CG-CE3 4.33Å; M227-W315 HydrophobicContact CG-CH2 3.78Å; M227-W315 HydrophobicContact CG-CZ2 3.37Å; M227-W315 HydrophobicContact CG-CZ3 4.23Å; T228-W315 PolarHBondContact OG1-NE1 3.4Å; V231-W315 HydrophobicContact CG2-CB 4.27Å; V231-W315 HydrophobicContact CG2-CG 4.04Å; F289-W315 AromaticContact CD2-CZ3 3.91Å; F289-W315 HydrophobicContact CD2-CZ3 3.91Å; F289-W315 HydrophobicContact CE2-CZ3 4.06Å; F293-W315 AromaticContact CD2-CH2 3.8Å; F293-W315 HydrophobicContact CD2-CH2 3.8Å; F293-W315 HydrophobicContact CD2-CZ3 4.04Å; F293-W315 HydrophobicContact CE2-CH2 4.44Å; F293-W315 HydrophobicContact CE2-CZ3 4.41Å; F293-W315 HydrophobicContact CG-CH2 4.32Å; F293-W315 HydrophobicContact CG-CZ3 4.39Å; E311-W315 HydrophobicContact CB-CZ2 3.87Å; E311-W315 VanDerWaalsContact O-CG 3.25Å; E311-W315 PolarHBondContact O-N 3.3Å; E311-W315 PolarHBondContact O-NE1 3.48Å; I312-W315 HydrophobicContact CB-CE3 3.9Å; I312-W315 HydrophobicContact CB-CZ3 3.89Å; I312-W315 HydrophobicContact CD1-CZ3 4.49Å; I312-W315 HydrophobicContact CG1-CE3 3.84Å; I312-W315 HydrophobicContact CG1-CZ3 4.04Å; I312-W315 PolarHBondContact O-N 2.84Å; W315-K317 VanDerWaalsContact C-N 3.27Å; W315-K317 PolarHBondContact O-N 3.27Å; W315-M318 PolarHBondContact O-N 3.13Å; W315-Y319 PolarHBondContact O-N 3.29Å; W315-F323 HydrophobicContact CB-CB 4.45Å; W315-F323 HydrophobicContact CB-CD1 4.01Å; W315-F323 HydrophobicContact CB-CE1 4.43Å; W315-F323 HydrophobicContact CB-CG 4.06Å; W315-F323 HydrophobicContact CE3-CE1 4.39Å
316	M	96.8	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-33.7	177.3	-68.3	-172.2	-65.8	0	0	112.7	I312 S320 F323 L324 L329 V332 L354	I312-M316 HydrophobicContact CG1-CE 4.34Å; I312-M316 WeakPolarHBondContact O-CG 3.2Å; I312-M316 PolarHBondContact O-N 3.37Å; M316-S320 VanDerWaalsContact O-CA 3.32Å; M316-S320 WeakPolarHBondContact O-CA 3.48Å; M316-S320 WeakPolarHBondContact O-CB 3.32Å; M316-F323 HydrophobicContact CG-CB 4.11Å; M316-F323 WeakPolarHBondContact CG-O 3.23Å; M316-L324 HydrophobicContact CB-CD1 4.31Å; M316-L324 HydrophobicContact SD-CD1 4.36Å; M316-L329 HydrophobicContact CE-CD2 4.06Å; M316-L329 HydrophobicContact SD-CD2 3.64Å; M316-L329 HydrophobicContact SD-CG 3.83Å; M316-V332 HydrophobicContact CE-CG2 3.92Å; M316-L354 HydrophobicContact CB-CD1 4.37Å; M316-L354 HydrophobicContact CB-CD2 3.8Å; M316-L354 HydrophobicContact CE-CD1 4.27Å
317	K	94.8	Very high	96.2	Very high	104 Å²	104	36 Å²	36	45%	0.452	19%	0.194	S	C	.	.	H	α-helix	trans	-77	-35.3	175.8	-175.5	173.1	-177.4	142.5	0	113.1	G313 I314 W315 G353 L354	G313-K317 WeakPolarHBondContact O-CB 3.31Å; G313-K317 PolarHBondContact O-N 3.45Å; G313-K317 VanDerWaalsContact O-N 3.07Å; I314-K317 PolarHBondContact O-N 2.99Å; W315-K317 VanDerWaalsContact C-N 3.27Å; W315-K317 PolarHBondContact O-N 3.27Å; K317-G353 VanDerWaalsContact CD-O 3.26Å; K317-G353 WeakPolarHBondContact CD-O 3.37Å; K317-G353 VanDerWaalsContact CE-O 3.23Å; K317-G353 WeakPolarHBondContact CE-O 3.34Å; K317-G353 PolarHBondContact NZ-O 3.42Å; K317-L354 HydrophobicContact CB-CD2 3.9Å
318	M	95.1	Very high	96.1	Very high	60 Å²	60	37.4 Å²	37.4	30%	0.296	20%	0.198	S	C	.	.	H	α-helix	trans	-82.5	-39.7	-174.3	-173.6	-176.4	-60.5	0	0	112.9	T228 V231 N232 L235 I314 W315	T228-M318 HydrophobicContact CG2-CE 3.96Å; V231-M318 HydrophobicContact CG1-SD 4.27Å; N232-M318 HydrophobicContact CB-SD 3.88Å; L235-M318 HydrophobicContact CD2-CG 4.48Å; I314-M318 HydrophobicContact CG2-CE 3.86Å; I314-M318 WeakPolarHBondContact O-CB 3.2Å; I314-M318 PolarHBondContact O-N 3.41Å; W315-M318 PolarHBondContact O-N 3.13Å
319	Y	95.6	Very high	96	Very high	31 Å²	31	37.4 Å²	37.4	12%	0.122	20%	0.198	C	C	.	.	S	Bend	trans	-136.2	64.5	-178.6	-165.9	42.7	0	0	0	111.2	A234 L235 S238 W315 D321 A322 F323	A234-Y319 HydrophobicContact CB-CE2 4.42Å; L235-Y319 HydrophobicContact CB-CD1 3.99Å; L235-Y319 HydrophobicContact CB-CE1 4.31Å; L235-Y319 HydrophobicContact CB-CG 4.26Å; L235-Y319 HydrophobicContact CD1-CD1 3.7Å; L235-Y319 HydrophobicContact CD1-CE1 3.86Å; L235-Y319 HydrophobicContact CG-CD1 4.34Å; S238-Y319 WeakPolarHBondContact CB-OH 3.46Å; S238-Y319 PolarHBondContact OG-OH 2.96Å; S238-Y319 VanDerWaalsContact OG-OH 3.05Å; W315-Y319 PolarHBondContact O-N 3.29Å; Y319-D321 PolarHBondContact O-N 2.85Å; Y319-D321 VanDerWaalsContact O-N 3.16Å; Y319-A322 HydrophobicContact CD2-CB 3.6Å; Y319-A322 HydrophobicContact CE2-CB 3.5Å; Y319-A322 HydrophobicContact CG-CB 4.45Å; Y319-A322 PolarHBondContact O-N 3.47Å; Y319-F323 HydrophobicContact CD2-CD2 4.11Å; Y319-F323 HydrophobicContact CD2-CE2 4.17Å; Y319-F323 PolarHBondContact O-N 3.15Å
320	S	94.1	Very high	95.9	Very high	20 Å²	20	41 Å²	41	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-19.6	-173.2	60.4	0	0	0	0	114.9	M316 L324 L360 K363	M316-S320 VanDerWaalsContact O-CA 3.32Å; M316-S320 WeakPolarHBondContact O-CA 3.48Å; M316-S320 WeakPolarHBondContact O-CB 3.32Å; S320-L324 VanDerWaalsContact O-CB 3.23Å; S320-L324 WeakPolarHBondContact O-CB 3.46Å; S320-L324 PolarHBondContact O-N 3.31Å; S320-L324 VanDerWaalsContact O-N 3.14Å; S320-L360 WeakPolarHBondContact OG-CD2 3.46Å; S320-K363 PolarHBondContact O-NZ 3.45Å; S320-K363 VanDerWaalsContact O-NZ 3.09Å
321	D	92.4	Very high	95.9	Very high	132 Å²	132	38.6 Å²	38.6	71%	0.706	20%	0.202	S	C	*	.	H	α-helix	trans	-77	-23	177.1	-70.2	-38.2	0	0	0	113.8	Y319 K363	Y319-D321 PolarHBondContact O-N 2.85Å; Y319-D321 VanDerWaalsContact O-N 3.16Å; D321-K363 IonicContact OD1-NZ 3.29Å; D321-K363 PolarHBondContact OD1-NZ 2.8Å
322	A	93.9	Very high	95.9	Very high	41 Å²	41	38.4 Å²	38.4	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-102.7	-35.3	171.6	0	0	0	0	0	113	Y319 N325	Y319-A322 HydrophobicContact CD2-CB 3.6Å; Y319-A322 HydrophobicContact CE2-CB 3.5Å; Y319-A322 HydrophobicContact CG-CB 4.45Å; Y319-A322 PolarHBondContact O-N 3.47Å; A322-N325 PolarHBondContact O-ND2 3.3Å
323	F	95.8	Very high	95.8	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-101.9	-27.3	-171.4	-73.1	-86.6	0	0	0	115.1	M227 V231 M285 W315 M316 Y319 N325 Y328	M227-F323 HydrophobicContact CE-CE1 3.97Å; M227-F323 HydrophobicContact CE-CZ 4.03Å; V231-F323 HydrophobicContact CB-CE2 4.44Å; V231-F323 HydrophobicContact CG1-CD2 4.24Å; V231-F323 HydrophobicContact CG1-CE2 3.99Å; V231-F323 HydrophobicContact CG2-CD2 4.5Å; V231-F323 HydrophobicContact CG2-CE1 4.47Å; V231-F323 HydrophobicContact CG2-CE2 3.7Å; V231-F323 HydrophobicContact CG2-CZ 3.69Å; M285-F323 HydrophobicContact CE-CZ 4.49Å; M285-F323 HydrophobicContact SD-CE2 4.42Å; M285-F323 HydrophobicContact SD-CZ 4.05Å; W315-F323 HydrophobicContact CB-CB 4.45Å; W315-F323 HydrophobicContact CB-CD1 4.01Å; W315-F323 HydrophobicContact CB-CE1 4.43Å; W315-F323 HydrophobicContact CB-CG 4.06Å; W315-F323 HydrophobicContact CE3-CE1 4.39Å; M316-F323 HydrophobicContact CG-CB 4.11Å; M316-F323 WeakPolarHBondContact CG-O 3.23Å; Y319-F323 HydrophobicContact CD2-CD2 4.11Å; Y319-F323 HydrophobicContact CD2-CE2 4.17Å; Y319-F323 PolarHBondContact O-N 3.15Å; F323-N325 PolarHBondContact O-N 2.95Å; F323-Y328 HydrophobicContact CB-CD2 4.42Å; F323-Y328 HydrophobicContact CD1-CD1 4.01Å; F323-Y328 HydrophobicContact CD1-CD2 4.04Å; F323-Y328 AromaticContact CD1-CE1 3.68Å; F323-Y328 HydrophobicContact CD1-CE1 3.68Å; F323-Y328 AromaticContact CD1-CE2 3.7Å; F323-Y328 HydrophobicContact CD1-CE2 3.7Å; F323-Y328 HydrophobicContact CD1-CG 4.18Å; F323-Y328 AromaticContact CD1-CZ 3.52Å; F323-Y328 HydrophobicContact CE1-CD1 4.47Å; F323-Y328 AromaticContact CE1-CE1 3.75Å; F323-Y328 HydrophobicContact CE1-CE1 3.75Å; F323-Y328 HydrophobicContact CE1-CE2 4.19Å; F323-Y328 AromaticContact CE1-CZ 3.58Å; F323-Y328 HydrophobicContact CG-CE2 4.37Å; F323-Y328 WeakPolarHBondContact O-CB 3.36Å; F323-Y328 WeakPolarHBondContact O-CD2 3.45Å
324	L	96.1	Very high	95.9	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.042	22%	0.222	C	C	.	.	S	Bend	trans	-82.3	83.3	-178.3	-173.8	60.3	0	0	0	111.2	M316 S320 L329 L354 L360 K363 L364	M316-L324 HydrophobicContact CB-CD1 4.31Å; M316-L324 HydrophobicContact SD-CD1 4.36Å; S320-L324 VanDerWaalsContact O-CB 3.23Å; S320-L324 WeakPolarHBondContact O-CB 3.46Å; S320-L324 PolarHBondContact O-N 3.31Å; S320-L324 VanDerWaalsContact O-N 3.14Å; L324-L329 HydrophobicContact CD1-CD1 3.9Å; L324-L329 HydrophobicContact CD1-CD2 3.93Å; L324-L329 HydrophobicContact CD1-CG 4.06Å; L324-L354 HydrophobicContact CD1-CD1 3.79Å; L324-L354 HydrophobicContact CD1-CD2 4.31Å; L324-L360 HydrophobicContact CD2-CB 3.75Å; L324-L360 HydrophobicContact CD2-CD1 4.11Å; L324-L360 HydrophobicContact CD2-CD2 4.21Å; L324-L360 HydrophobicContact CD2-CG 4.23Å; L324-K363 HydrophobicContact CB-CD 4.39Å; L324-K363 HydrophobicContact CD2-CB 3.93Å; L324-K363 HydrophobicContact CD2-CD 4.08Å; L324-K363 HydrophobicContact CG-CB 4.07Å; L324-K363 HydrophobicContact CG-CD 4.25Å; L324-L364 HydrophobicContact CD1-CD2 3.92Å
325	N	93.9	Very high	96	Very high	55 Å²	55	42 Å²	42	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-157.8	165.6	174.8	58.4	73.8	0	0	0	111.2	A322 F323 S327 Y328 L329	A322-N325 PolarHBondContact O-ND2 3.3Å; F323-N325 PolarHBondContact O-N 2.95Å; N325-S327 PolarHBondContact O-N 2.96Å; N325-S327 VanDerWaalsContact OD1-CB 3.31Å; N325-S327 WeakPolarHBondContact OD1-CB 3.49Å; N325-S327 PolarHBondContact OD1-N 3.1Å; N325-S327 VanDerWaalsContact OD1-N 3.15Å; N325-S327 PolarHBondContact OD1-OG 3.15Å; N325-Y328 PolarHBondContact O-N 3.05Å; N325-L329 PolarHBondContact O-N 3.32Å
326	D	93.1	Very high	96	Very high	84 Å²	84	42 Å²	42	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-49.5	-31.6	-178.8	-72.2	28.6	0	0	0	114.7	Y328 K330	D326-Y328 PolarHBondContact O-N 2.99Å; D326-K330 VanDerWaalsContact O-CB 3.31Å; D326-K330 WeakPolarHBondContact O-CB 3.15Å; D326-K330 WeakPolarHBondContact O-CG 3.3Å; D326-K330 PolarHBondContact O-N 2.99Å; D326-K330 VanDerWaalsContact O-N 3.13Å
327	S	94.4	Very high	96.1	Very high	58 Å²	58	46.5 Å²	46.5	41%	0.406	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-25.7	-178	83.1	0	0	0	0	112.9	N325 K330 Y331	N325-S327 PolarHBondContact O-N 2.96Å; N325-S327 VanDerWaalsContact OD1-CB 3.31Å; N325-S327 WeakPolarHBondContact OD1-CB 3.49Å; N325-S327 PolarHBondContact OD1-N 3.1Å; N325-S327 VanDerWaalsContact OD1-N 3.15Å; N325-S327 PolarHBondContact OD1-OG 3.15Å; S327-K330 WeakPolarHBondContact O-CE 3.47Å; S327-Y331 WeakPolarHBondContact O-CE2 3.42Å
328	Y	96.8	Very high	96.2	Very high	44 Å²	44	42.9 Å²	42.9	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-103.1	-43.7	173.9	-64.8	-75.5	0	0	0	112.2	F289 I312 F323 N325 D326 K330 Y331	F289-Y328 HydrophobicContact CD2-CE1 4.14Å; F289-Y328 HydrophobicContact CE1-CE1 4.19Å; F289-Y328 AromaticContact CE2-CD1 3.76Å; F289-Y328 HydrophobicContact CE2-CD1 3.76Å; F289-Y328 AromaticContact CE2-CE1 3.6Å; F289-Y328 HydrophobicContact CE2-CE1 3.6Å; F289-Y328 AromaticContact CZ-CD1 3.76Å; F289-Y328 HydrophobicContact CZ-CD1 3.76Å; F289-Y328 AromaticContact CZ-CE1 3.62Å; F289-Y328 HydrophobicContact CZ-CE1 3.62Å; I312-Y328 HydrophobicContact CD1-CD1 4.01Å; F323-Y328 HydrophobicContact CB-CD2 4.42Å; F323-Y328 HydrophobicContact CD1-CD1 4.01Å; F323-Y328 HydrophobicContact CD1-CD2 4.04Å; F323-Y328 AromaticContact CD1-CE1 3.68Å; F323-Y328 HydrophobicContact CD1-CE1 3.68Å; F323-Y328 AromaticContact CD1-CE2 3.7Å; F323-Y328 HydrophobicContact CD1-CE2 3.7Å; F323-Y328 HydrophobicContact CD1-CG 4.18Å; F323-Y328 AromaticContact CD1-CZ 3.52Å; F323-Y328 HydrophobicContact CE1-CD1 4.47Å; F323-Y328 AromaticContact CE1-CE1 3.75Å; F323-Y328 HydrophobicContact CE1-CE1 3.75Å; F323-Y328 HydrophobicContact CE1-CE2 4.19Å; F323-Y328 AromaticContact CE1-CZ 3.58Å; F323-Y328 HydrophobicContact CG-CE2 4.37Å; F323-Y328 WeakPolarHBondContact O-CB 3.36Å; F323-Y328 WeakPolarHBondContact O-CD2 3.45Å; N325-Y328 PolarHBondContact O-N 3.05Å; D326-Y328 PolarHBondContact O-N 2.99Å; Y328-K330 PolarHBondContact O-N 2.74Å; Y328-Y331 WeakPolarHBondContact O-CD2 3.46Å; Y328-Y331 PolarHBondContact O-N 2.8Å; Y328-Y331 VanDerWaalsContact O-N 3.16Å
329	L	96.3	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-34.2	-179.2	-78.9	169.8	0	0	0	113	M316 L324 N325 Y331 V332 G333 L351 L354 L364 F367	M316-L329 HydrophobicContact CE-CD2 4.06Å; M316-L329 HydrophobicContact SD-CD2 3.64Å; M316-L329 HydrophobicContact SD-CG 3.83Å; L324-L329 HydrophobicContact CD1-CD1 3.9Å; L324-L329 HydrophobicContact CD1-CD2 3.93Å; L324-L329 HydrophobicContact CD1-CG 4.06Å; N325-L329 PolarHBondContact O-N 3.32Å; L329-Y331 PolarHBondContact O-N 2.89Å; L329-Y331 VanDerWaalsContact O-N 3.13Å; L329-V332 PolarHBondContact O-N 3.24Å; L329-G333 PolarHBondContact O-N 3.35Å; L329-L351 HydrophobicContact CD2-CD2 4.37Å; L329-L354 HydrophobicContact CD2-CD1 4.13Å; L329-L364 HydrophobicContact CD1-CD2 4.17Å; L329-L364 HydrophobicContact CD2-CD2 4.1Å; L329-F367 HydrophobicContact CB-CD2 3.74Å; L329-F367 HydrophobicContact CB-CE2 4.09Å; L329-F367 HydrophobicContact CB-CG 4.41Å; L329-F367 HydrophobicContact CD1-CB 4.1Å; L329-F367 HydrophobicContact CD1-CD2 4.44Å; L329-F367 HydrophobicContact CD1-CG 4.34Å; L329-F367 HydrophobicContact CD2-CD2 4.48Å; L329-F367 HydrophobicContact CG-CD2 4.46Å; L329-F367 WeakPolarHBondContact O-CE2 3.48Å
330	K	96.8	Very high	96.5	Very high	75 Å²	75	51.5 Å²	51.5	33%	0.326	25%	0.254	S	S	.	.	H	α-helix	trans	-54.1	-33.2	178.5	71.8	-170.2	-172.6	-170.4	0	113.8	D326 S327 Y328 G333 W334	D326-K330 VanDerWaalsContact O-CB 3.31Å; D326-K330 WeakPolarHBondContact O-CB 3.15Å; D326-K330 WeakPolarHBondContact O-CG 3.3Å; D326-K330 PolarHBondContact O-N 2.99Å; D326-K330 VanDerWaalsContact O-N 3.13Å; S327-K330 WeakPolarHBondContact O-CE 3.47Å; Y328-K330 PolarHBondContact O-N 2.74Å; K330-G333 PolarHBondContact O-N 2.97Å; K330-W334 HydrophobicContact CB-CH2 4.47Å; K330-W334 HydrophobicContact CB-CZ2 4.18Å; K330-W334 HydrophobicContact CD-CH2 3.74Å; K330-W334 HydrophobicContact CD-CZ2 4.04Å; K330-W334 HydrophobicContact CD-CZ3 4.3Å; K330-W334 HydrophobicContact CG-CE3 4.49Å; K330-W334 HydrophobicContact CG-CH2 3.95Å; K330-W334 HydrophobicContact CG-CZ2 4.16Å; K330-W334 HydrophobicContact CG-CZ3 4.12Å; K330-W334 VanDerWaalsContact O-CD2 3.29Å; K330-W334 PolarHBondContact O-N 3.34Å
331	Y	98.5	Very high	96.7	Very high	25 Å²	25	50.6 Å²	50.6	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-36.9	179.5	-62.2	-73.3	0	0	0	111.4	F289 F293 Y297 I312 S327 Y328 L329 W334 T335	F289-Y331 HydrophobicContact CE1-CE2 4.39Å; F289-Y331 HydrophobicContact CZ-CD2 4.39Å; F289-Y331 AromaticContact CZ-CE2 3.69Å; F289-Y331 HydrophobicContact CZ-CE2 3.69Å; F293-Y331 HydrophobicContact CE1-CD1 4.02Å; F293-Y331 AromaticContact CE1-CD2 3.77Å; F293-Y331 HydrophobicContact CE1-CD2 3.77Å; F293-Y331 HydrophobicContact CE1-CE1 4.31Å; F293-Y331 HydrophobicContact CE1-CE2 4.09Å; F293-Y331 AromaticContact CE1-CG 3.74Å; F293-Y331 HydrophobicContact CE1-CG 3.74Å; F293-Y331 HydrophobicContact CZ-CD2 4.27Å; F293-Y331 HydrophobicContact CZ-CG 4.06Å; Y297-Y331 HydrophobicContact CD1-CD1 4.23Å; Y297-Y331 HydrophobicContact CD2-CD1 4.22Å; Y297-Y331 AromaticContact CE1-CD1 3.85Å; Y297-Y331 HydrophobicContact CE1-CD1 3.85Å; Y297-Y331 AromaticContact CE1-CE1 3.92Å; Y297-Y331 HydrophobicContact CE1-CE1 3.92Å; Y297-Y331 AromaticContact CE2-CD1 3.85Å; Y297-Y331 HydrophobicContact CE2-CD1 3.85Å; Y297-Y331 HydrophobicContact CG-CD1 4.4Å; Y297-Y331 AromaticContact CZ-CD1 3.65Å; Y297-Y331 AromaticContact CZ-CE1 3.99Å; I312-Y331 HydrophobicContact CD1-CD2 4.04Å; S327-Y331 WeakPolarHBondContact O-CE2 3.42Å; Y328-Y331 WeakPolarHBondContact O-CD2 3.46Å; Y328-Y331 PolarHBondContact O-N 2.8Å; Y328-Y331 VanDerWaalsContact O-N 3.16Å; L329-Y331 PolarHBondContact O-N 2.89Å; L329-Y331 VanDerWaalsContact O-N 3.13Å; Y331-W334 AromaticContact CD1-CE3 3.94Å; Y331-W334 HydrophobicContact CD1-CE3 3.94Å; Y331-W334 AromaticContact CD1-CZ3 3.76Å; Y331-W334 HydrophobicContact CD1-CZ3 3.76Å; Y331-W334 HydrophobicContact CE1-CE3 4.39Å; Y331-W334 AromaticContact CE1-CZ3 3.75Å; Y331-W334 HydrophobicContact CE1-CZ3 3.75Å; Y331-T335 VanDerWaalsContact O-CB 3.26Å; Y331-T335 WeakPolarHBondContact O-CB 3.43Å; Y331-T335 PolarHBondContact O-N 3.36Å; Y331-T335 VanDerWaalsContact O-N 3.08Å; Y331-T335 PolarHBondContact O-OG1 3.45Å
332	V	98.4	Very high	96.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-43.6	171.9	-175.6	0	0	0	0	110.4	I312 M316 L329 W334 T335 M336 C347 L351	I312-V332 HydrophobicContact CG2-CG2 4.25Å; M316-V332 HydrophobicContact CE-CG2 3.92Å; L329-V332 PolarHBondContact O-N 3.24Å; V332-W334 PolarHBondContact O-N 3.1Å; V332-T335 PolarHBondContact O-N 3.37Å; V332-T335 VanDerWaalsContact O-N 3.15Å; V332-M336 PolarHBondContact O-N 3.01Å; V332-C347 HydrophobicContact CG1-CB 3.79Å; V332-L351 HydrophobicContact CG1-CD1 4.16Å; V332-L351 HydrophobicContact CG1-CD2 4.22Å; V332-L351 HydrophobicContact CG1-CG 3.98Å
333	G	97.4	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.7	-47.9	176	0	0	0	0	0	113.7	L329 K330 H337 F371	L329-G333 PolarHBondContact O-N 3.35Å; K330-G333 PolarHBondContact O-N 2.97Å; G333-H337 PolarHBondContact O-CE1 3.46Å; G333-H337 VanDerWaalsContact O-CE1 3.31Å; G333-H337 PolarHBondContact O-ND1 2.9Å; G333-H337 VanDerWaalsContact O-ND1 3.14Å; G333-F371 WeakPolarHBondContact O-CE1 3.38Å
334	W	98.3	Very high	97.3	Very high	131 Å²	131	46.7 Å²	46.7	50%	0.496	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-46	173.9	-60	-29.5	0	0	0	111.6	K330 Y331 V332 M336 H337	K330-W334 HydrophobicContact CB-CH2 4.47Å; K330-W334 HydrophobicContact CB-CZ2 4.18Å; K330-W334 HydrophobicContact CD-CH2 3.74Å; K330-W334 HydrophobicContact CD-CZ2 4.04Å; K330-W334 HydrophobicContact CD-CZ3 4.3Å; K330-W334 HydrophobicContact CG-CE3 4.49Å; K330-W334 HydrophobicContact CG-CH2 3.95Å; K330-W334 HydrophobicContact CG-CZ2 4.16Å; K330-W334 HydrophobicContact CG-CZ3 4.12Å; K330-W334 VanDerWaalsContact O-CD2 3.29Å; K330-W334 PolarHBondContact O-N 3.34Å; Y331-W334 AromaticContact CD1-CE3 3.94Å; Y331-W334 HydrophobicContact CD1-CE3 3.94Å; Y331-W334 AromaticContact CD1-CZ3 3.76Å; Y331-W334 HydrophobicContact CD1-CZ3 3.76Å; Y331-W334 HydrophobicContact CE1-CE3 4.39Å; Y331-W334 AromaticContact CE1-CZ3 3.75Å; Y331-W334 HydrophobicContact CE1-CZ3 3.75Å; V332-W334 PolarHBondContact O-N 3.1Å; W334-M336 VanDerWaalsContact C-N 3.28Å; W334-M336 PolarHBondContact O-N 3.43Å; W334-H337 WeakPolarHBondContact O-CB 3.3Å; W334-H337 PolarHBondContact O-N 2.92Å; W334-H337 PolarHBondContact O-ND1 3.31Å
335	T	98.6	Very high	97.4	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-75.5	-11.7	-170.7	-46.3	0	0	0	0	113.8	I309 Y331 V332 H337 D338 V343	I309-T335 HydrophobicContact CD1-CG2 4.01Å; I309-T335 HydrophobicContact CG1-CG2 3.85Å; Y331-T335 VanDerWaalsContact O-CB 3.26Å; Y331-T335 WeakPolarHBondContact O-CB 3.43Å; Y331-T335 PolarHBondContact O-N 3.36Å; Y331-T335 VanDerWaalsContact O-N 3.08Å; Y331-T335 PolarHBondContact O-OG1 3.45Å; V332-T335 PolarHBondContact O-N 3.37Å; V332-T335 VanDerWaalsContact O-N 3.15Å; T335-H337 PolarHBondContact O-N 2.9Å; T335-D338 HydrophobicContact CG2-CB 4.22Å; T335-D338 VanDerWaalsContact O-CB 3.3Å; T335-D338 WeakPolarHBondContact O-CB 3.36Å; T335-D338 PolarHBondContact O-N 3.45Å; T335-V343 HydrophobicContact CG2-CG1 3.56Å
336	M	98.5	Very high	97.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.4	163	-75	-168.5	-69.3	0	0	114.1	V332 W334 C347 L348 L351 F367 F371 R374 I375 M378	V332-M336 PolarHBondContact O-N 3.01Å; W334-M336 VanDerWaalsContact C-N 3.28Å; W334-M336 PolarHBondContact O-N 3.43Å; M336-C347 HydrophobicContact CG-CB 3.53Å; M336-L348 HydrophobicContact SD-CD2 4.36Å; M336-L351 HydrophobicContact CE-CD1 4.13Å; M336-L351 HydrophobicContact SD-CD1 3.79Å; M336-F367 HydrophobicContact CE-CE1 4.27Å; M336-F367 HydrophobicContact CE-CZ 3.87Å; M336-F371 HydrophobicContact CE-CB 3.86Å; M336-F371 HydrophobicContact CE-CD1 4.24Å; M336-F371 HydrophobicContact CE-CG 4.07Å; M336-R374 HydrophobicContact CB-CG 4.3Å; M336-R374 PolarHBondContact O-NE 3.22Å; M336-R374 PolarHBondContact O-NH2 2.92Å; M336-I375 HydrophobicContact CE-CG1 4.25Å; M336-I375 HydrophobicContact SD-CG1 3.92Å; M336-M378 HydrophobicContact CB-SD 4.07Å; M336-M378 HydrophobicContact CG-SD 4.36Å; M336-M378 HydrophobicContact SD-SD 4.36Å
337	H	98.4	Very high	97.9	Very high	94 Å²	94	44.6 Å²	44.6	44%	0.435	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.2	176.3	-53.4	80.6	0	0	0	113.4	G333 W334 T335 R374	G333-H337 PolarHBondContact O-CE1 3.46Å; G333-H337 VanDerWaalsContact O-CE1 3.31Å; G333-H337 PolarHBondContact O-ND1 2.9Å; G333-H337 VanDerWaalsContact O-ND1 3.14Å; W334-H337 WeakPolarHBondContact O-CB 3.3Å; W334-H337 PolarHBondContact O-N 2.92Å; W334-H337 PolarHBondContact O-ND1 3.31Å; T335-H337 PolarHBondContact O-N 2.9Å; H337-R374 WeakPolarHBondContact NE2-CD 3.48Å
338	D	98.6	Very high	98	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.144	19%	0.185	C	C	.	.			trans	-60.1	149.7	177.7	-159.2	-71.6	0	0	0	112.3	R305 T335 Q340 V343 R344	R305-D338 IonicContact CZ-OD1 2.78Å; R305-D338 IonicContact CZ-OD2 2.7Å; R305-D338 VanDerWaalsContact CZ-OD2 3.29Å; R305-D338 IonicContact NE-OD1 3.72Å; R305-D338 IonicContact NE-OD2 3.76Å; R305-D338 PolarHBondContact NE-OD2 3.12Å; R305-D338 IonicContact NH2-OD1 3.1Å; R305-D338 PolarHBondContact NH2-OD1 3.42Å; R305-D338 IonicContact NH2-OD2 3.83Å; R305-D338 PolarHBondContact NH2-OD2 2.93Å; R305-D338 VanDerWaalsContact NH2-OD2 3.1Å; T335-D338 HydrophobicContact CG2-CB 4.22Å; T335-D338 VanDerWaalsContact O-CB 3.3Å; T335-D338 WeakPolarHBondContact O-CB 3.36Å; T335-D338 PolarHBondContact O-N 3.45Å; D338-Q340 PolarHBondContact OD1-N 3.47Å; D338-V343 HydrophobicContact CB-CB 4Å; D338-R344 HydrophobicContact CB-CG 4.33Å; D338-R344 VanDerWaalsContact O-CD 3.31Å; D338-R344 WeakPolarHBondContact O-CD 3.49Å; D338-R344 PolarHBondContact O-NH1 3.43Å
339	K	97.9	Very high	98.1	Very high	173 Å²	173	42.2 Å²	42.2	75%	0.752	19%	0.192	S	C	*	.	S	Bend	trans	-77.8	-24	-178.7	-54.7	-49	-178.2	-164.6	0	113.1	R344	K339-R344 PolarHBondContact O-NH1 2.97Å
340	Q	98.3	Very high	98.1	Very high	99 Å²	99	42.8 Å²	42.8	46%	0.463	20%	0.197	S	C	.	.	S	Bend	trans	-98.1	136.4	178.6	-54.3	-56.9	-22.5	0	0	111	A302 D338 E342 V343 R344	A302-Q340 HydrophobicContact CB-CB 3.97Å; A302-Q340 HydrophobicContact CB-CG 3.78Å; D338-Q340 PolarHBondContact OD1-N 3.47Å; Q340-E342 HydrophobicContact CB-CG 4.43Å; Q340-V343 HydrophobicContact CB-CG2 4.3Å; Q340-V343 WeakPolarHBondContact O-CA 3.37Å; Q340-R344 PolarHBondContact O-N 2.89Å; Q340-R344 PolarHBondContact O-NH1 3.19Å
341	G	97.8	Very high	98.1	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-73.2	-25.7	-175.8	0	0	0	0	0	114.7	V343 R344 L345 E383	G341-V343 CarbonylContact O-C 3.54Å; G341-R344 PolarHBondContact O-N 3.05Å; G341-R344 VanDerWaalsContact O-N 3.07Å; G341-L345 WeakPolarHBondContact O-CB 3.28Å; G341-L345 PolarHBondContact O-N 3.45Å; G341-E383 VanDerWaalsContact CA-CD 3.47Å; G341-E383 WeakPolarHBondContact CA-OE1 3.28Å; G341-E383 WeakPolarHBondContact CA-OE2 3.35Å; G341-E383 PolarHBondContact N-OE1 3.32Å; G341-E383 PolarHBondContact N-OE2 3.38Å
342	E	97.2	Very high	97.9	Very high	84 Å²	84	39.6 Å²	39.6	39%	0.393	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-61	177.3	50.7	156.8	173	0	0	113.5	A302 E303 Q340 L345 K346	A302-E342 HydrophobicContact CB-CG 4.43Å; A302-E342 WeakPolarHBondContact CB-OE1 3.28Å; E303-E342 PolarHBondContact N-OE1 3.33Å; Q340-E342 HydrophobicContact CB-CG 4.43Å; E342-L345 WeakPolarHBondContact O-CB 3.49Å; E342-L345 PolarHBondContact O-N 3.39Å; E342-K346 WeakPolarHBondContact O-CG 3.29Å; E342-K346 PolarHBondContact O-N 3.3Å
343	V	98.7	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix		29.8	-110.8	114.2	-93.7	0	0	0	0	118.4	A302 R305 A306 I309 T335 D338 Q340 G341 L345 K346 C347	A302-V343 HydrophobicContact CB-CG2 3.95Å; R305-V343 HydrophobicContact CB-CG1 4.02Å; R305-V343 HydrophobicContact CB-CG2 4.09Å; A306-V343 HydrophobicContact CB-CG2 4.44Å; I309-V343 HydrophobicContact CG1-CG1 4.29Å; T335-V343 HydrophobicContact CG2-CG1 3.56Å; D338-V343 HydrophobicContact CB-CB 4Å; Q340-V343 HydrophobicContact CB-CG2 4.3Å; Q340-V343 WeakPolarHBondContact O-CA 3.37Å; G341-V343 CarbonylContact O-C 3.54Å; V343-L345 PolarHBondContact O-N 3.22Å; V343-K346 PolarHBondContact O-N 3.21Å; V343-K346 VanDerWaalsContact O-N 3.16Å; V343-C347 PolarHBondContact O-N 2.95Å
344	R	98.8	Very high	97.5	Very high	14 Å²	14	40.2 Å²	40.2	5%	0.053	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-34.6	-179.7	-61.2	-167.6	-62.3	-73.1	-5.8	113	D338 K339 Q340 G341 C347 L348 M378 D381 E383 V386	D338-R344 HydrophobicContact CB-CG 4.33Å; D338-R344 VanDerWaalsContact O-CD 3.31Å; D338-R344 WeakPolarHBondContact O-CD 3.49Å; D338-R344 PolarHBondContact O-NH1 3.43Å; K339-R344 PolarHBondContact O-NH1 2.97Å; Q340-R344 PolarHBondContact O-N 2.89Å; Q340-R344 PolarHBondContact O-NH1 3.19Å; G341-R344 PolarHBondContact O-N 3.05Å; G341-R344 VanDerWaalsContact O-N 3.07Å; R344-C347 WeakPolarHBondContact O-CB 3.38Å; R344-C347 PolarHBondContact O-N 2.78Å; R344-L348 WeakPolarHBondContact O-CG 2.99Å; R344-L348 PolarHBondContact O-N 2.83Å; R344-M378 HydrophobicContact CB-CE 3.7Å; R344-M378 HydrophobicContact CG-CE 4.27Å; R344-D381 IonicContact CZ-OD1 3.9Å; R344-D381 IonicContact CZ-OD2 2.74Å; R344-D381 IonicContact NE-OD1 3.87Å; R344-D381 PolarHBondContact NE-OD1 2.85Å; R344-D381 IonicContact NE-OD2 3.11Å; R344-D381 PolarHBondContact NE-OD2 3Å; R344-D381 IonicContact NH2-OD1 2.76Å; R344-D381 PolarHBondContact NH2-OD1 3.16Å; R344-D381 IonicContact NH2-OD2 2.69Å; R344-E383 IonicContact CZ-OE1 2.83Å; R344-E383 IonicContact NH1-OE1 2.79Å; R344-E383 IonicContact NH2-OE1 3.21Å; R344-E383 PolarHBondContact NH2-OE1 2.66Å; R344-V386 HydrophobicContact CB-CG1 3.86Å; R344-V386 HydrophobicContact CB-CG2 4.37Å
345	L	98.4	Very high	97.2	Very high	48 Å²	48	34.5 Å²	34.5	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-64.4	-41.1	177.3	-172.3	72.7	0	0	0	111.5	G341 E342 V343 L348 T349 D385 V386 Q389	G341-L345 WeakPolarHBondContact O-CB 3.28Å; G341-L345 PolarHBondContact O-N 3.45Å; E342-L345 WeakPolarHBondContact O-CB 3.49Å; E342-L345 PolarHBondContact O-N 3.39Å; V343-L345 PolarHBondContact O-N 3.22Å; L345-L348 PolarHBondContact O-N 3.42Å; L345-T349 WeakPolarHBondContact O-CB 3.5Å; L345-T349 WeakPolarHBondContact O-CG2 3.45Å; L345-T349 PolarHBondContact O-N 3.44Å; L345-T349 PolarHBondContact O-OG1 2.91Å; L345-D385 HydrophobicContact CD1-CB 4.29Å; L345-D385 WeakPolarHBondContact CD1-O 3.3Å; L345-V386 HydrophobicContact CB-CG2 4.34Å; L345-Q389 HydrophobicContact CD1-CB 4.18Å; L345-Q389 HydrophobicContact CD1-CG 3.39Å
346	K	98.4	Very high	96.6	Very high	55 Å²	55	43.1 Å²	43.1	24%	0.239	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-37.1	172.4	-66.5	-51.7	-168.6	178.8	0	112.1	A306 I309 E310 E342 V343 T349 A350	A306-K346 HydrophobicContact CB-CG 3.91Å; I309-K346 HydrophobicContact CB-CB 4.23Å; I309-K346 HydrophobicContact CG2-CB 3.8Å; E310-K346 HydrophobicContact CB-CD 4.12Å; E310-K346 HydrophobicContact CB-CG 4.47Å; E310-K346 HydrophobicContact CG-CD 4.46Å; E310-K346 IonicContact OE1-NZ 3.63Å; E310-K346 PolarHBondContact OE1-NZ 3.38Å; E310-K346 VanDerWaalsContact OE2-CE 3.23Å; E310-K346 WeakPolarHBondContact OE2-CE 3.4Å; E310-K346 IonicContact OE2-NZ 3.98Å; E310-K346 PolarHBondContact OE2-NZ 2.89Å; E342-K346 WeakPolarHBondContact O-CG 3.29Å; E342-K346 PolarHBondContact O-N 3.3Å; V343-K346 PolarHBondContact O-N 3.21Å; V343-K346 VanDerWaalsContact O-N 3.16Å; K346-T349 WeakPolarHBondContact CA-OG1 3.44Å; K346-T349 PolarHBondContact O-OG1 3.01Å; K346-A350 VanDerWaalsContact O-CB 3.23Å; K346-A350 WeakPolarHBondContact O-CB 3.43Å; K346-A350 PolarHBondContact O-N 2.94Å
347	C	98.7	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-49	174.3	-61.7	0	0	0	0	112	I309 V332 M336 V343 R344 A350 L351	I309-C347 HydrophobicContact CG2-CB 4.37Å; V332-C347 HydrophobicContact CG1-CB 3.79Å; M336-C347 HydrophobicContact CG-CB 3.53Å; V343-C347 PolarHBondContact O-N 2.95Å; R344-C347 WeakPolarHBondContact O-CB 3.38Å; R344-C347 PolarHBondContact O-N 2.78Å; C347-A350 PolarHBondContact O-N 2.65Å; C347-L351 WeakPolarHBondContact O-CG 3.02Å; C347-L351 PolarHBondContact O-N 2.81Å; C347-L351 VanDerWaalsContact O-N 3.15Å
348	L	98.5	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-45.7	-178.8	-67.2	172.3	0	0	0	112.2	M336 R344 L345 A350 L351 Q352 M378 V386 Q389 A390 L393	M336-L348 HydrophobicContact SD-CD2 4.36Å; R344-L348 WeakPolarHBondContact O-CG 2.99Å; R344-L348 PolarHBondContact O-N 2.83Å; L345-L348 PolarHBondContact O-N 3.42Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.18Å; L348-L351 PolarHBondContact O-N 2.65Å; L348-L351 VanDerWaalsContact O-N 3.16Å; L348-Q352 WeakPolarHBondContact O-CG 3.22Å; L348-Q352 PolarHBondContact O-N 2.86Å; L348-M378 HydrophobicContact CD1-CE 3.75Å; L348-M378 HydrophobicContact CD2-CE 4.16Å; L348-M378 HydrophobicContact CD2-SD 4.48Å; L348-M378 HydrophobicContact CG-CE 3.94Å; L348-V386 HydrophobicContact CD1-CG1 3.73Å; L348-V386 VanDerWaalsContact CD1-O 3.24Å; L348-V386 WeakPolarHBondContact CD1-O 3.18Å; L348-Q389 HydrophobicContact CB-CB 3.93Å; L348-Q389 HydrophobicContact CD1-CB 3.87Å; L348-A390 HydrophobicContact CD1-CB 3.99Å; L348-A390 HydrophobicContact CD2-CB 4.44Å; L348-L393 HydrophobicContact CD2-CD2 3.66Å
349	T	96.9	Very high	94.2	Very high	52 Å²	52	55.1 Å²	55.1	32%	0.319	26%	0.257	S	S	.	.	H	α-helix	trans	-66.7	-31.8	179.3	49.9	0	0	0	0	112.7	L345 K346 G353 Q389	L345-T349 WeakPolarHBondContact O-CB 3.5Å; L345-T349 WeakPolarHBondContact O-CG2 3.45Å; L345-T349 PolarHBondContact O-N 3.44Å; L345-T349 PolarHBondContact O-OG1 2.91Å; K346-T349 WeakPolarHBondContact CA-OG1 3.44Å; K346-T349 PolarHBondContact O-OG1 3.01Å; T349-G353 PolarHBondContact O-N 2.95Å; T349-Q389 HydrophobicContact CG2-CG 4.14Å
350	A	96.3	Very high	93.4	Very high	11 Å²	11	47.3 Å²	47.3	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-48.3	168.4	0	0	0	0	0	111.9	K346 C347 L348 G353 L354	K346-A350 VanDerWaalsContact O-CB 3.23Å; K346-A350 WeakPolarHBondContact O-CB 3.43Å; K346-A350 PolarHBondContact O-N 2.94Å; C347-A350 PolarHBondContact O-N 2.65Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.18Å; A350-G353 WeakPolarHBondContact O-CA 3.47Å; A350-G353 PolarHBondContact O-N 3.19Å; A350-G353 VanDerWaalsContact O-N 3.16Å; A350-L354 PolarHBondContact O-N 2.62Å
351	L	97	Very high	92.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-44	179.4	-67.5	171.5	0	0	0	112.6	L329 V332 M336 C347 L348 G353 L354 Y355 F367 L393	L329-L351 HydrophobicContact CD2-CD2 4.37Å; V332-L351 HydrophobicContact CG1-CD1 4.16Å; V332-L351 HydrophobicContact CG1-CD2 4.22Å; V332-L351 HydrophobicContact CG1-CG 3.98Å; M336-L351 HydrophobicContact CE-CD1 4.13Å; M336-L351 HydrophobicContact SD-CD1 3.79Å; C347-L351 WeakPolarHBondContact O-CG 3.02Å; C347-L351 PolarHBondContact O-N 2.81Å; C347-L351 VanDerWaalsContact O-N 3.15Å; L348-L351 PolarHBondContact O-N 2.65Å; L348-L351 VanDerWaalsContact O-N 3.16Å; L351-G353 PolarHBondContact O-N 2.95Å; L351-L354 HydrophobicContact CD2-CD1 4.48Å; L351-L354 WeakPolarHBondContact O-CB 3.5Å; L351-L354 PolarHBondContact O-N 3.27Å; L351-Y355 PolarHBondContact O-N 2.91Å; L351-F367 HydrophobicContact CD1-CE1 3.82Å; L351-F367 HydrophobicContact CD1-CZ 4.21Å; L351-F367 HydrophobicContact CD2-CD1 4.2Å; L351-F367 HydrophobicContact CD2-CE1 3.51Å; L351-F367 HydrophobicContact CD2-CZ 3.97Å; L351-F367 HydrophobicContact CG-CE1 4.34Å; L351-L393 HydrophobicContact CB-CD1 3.94Å; L351-L393 HydrophobicContact CB-CD2 3.81Å; L351-L393 HydrophobicContact CD1-CD2 3.89Å
352	Q	95.7	Very high	92	Very high	32 Å²	32	47.5 Å²	47.5	15%	0.15	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-39.9	171.5	-70.1	173.6	-5.4	0	0	111.3	L348 L354 Y355 Y356 Q389 L393 L396	L348-Q352 WeakPolarHBondContact O-CG 3.22Å; L348-Q352 PolarHBondContact O-N 2.86Å; Q352-L354 PolarHBondContact O-N 3.26Å; Q352-Y355 PolarHBondContact O-N 3.11Å; Q352-Y356 PolarHBondContact O-N 3.42Å; Q352-Q389 PolarHBondContact NE2-O 2.99Å; Q352-L393 HydrophobicContact CG-CB 4.01Å; Q352-L393 HydrophobicContact CG-CD1 4.03Å; Q352-L396 HydrophobicContact CB-CD1 3.96Å; Q352-L396 HydrophobicContact CG-CD1 4.09Å
353	G	92.6	Very high	91.3	Very high	14 Å²	14	47.1 Å²	47.1	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-31.6	177	0	0	0	0	0	113.7	K317 T349 A350 L351	K317-G353 VanDerWaalsContact CD-O 3.26Å; K317-G353 WeakPolarHBondContact CD-O 3.37Å; K317-G353 VanDerWaalsContact CE-O 3.23Å; K317-G353 WeakPolarHBondContact CE-O 3.34Å; K317-G353 PolarHBondContact NZ-O 3.42Å; T349-G353 PolarHBondContact O-N 2.95Å; A350-G353 WeakPolarHBondContact O-CA 3.47Å; A350-G353 PolarHBondContact O-N 3.19Å; A350-G353 VanDerWaalsContact O-N 3.16Å; L351-G353 PolarHBondContact O-N 2.95Å
354	L	94.1	Very high	90.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-82.3	-50.2	176.5	-56.4	169.5	0	0	0	110.9	M316 K317 L324 L329 A350 L351 Q352 Y356 N357 L360 L364	M316-L354 HydrophobicContact CB-CD1 4.37Å; M316-L354 HydrophobicContact CB-CD2 3.8Å; M316-L354 HydrophobicContact CE-CD1 4.27Å; K317-L354 HydrophobicContact CB-CD2 3.9Å; L324-L354 HydrophobicContact CD1-CD1 3.79Å; L324-L354 HydrophobicContact CD1-CD2 4.31Å; L329-L354 HydrophobicContact CD2-CD1 4.13Å; A350-L354 PolarHBondContact O-N 2.62Å; L351-L354 HydrophobicContact CD2-CD1 4.48Å; L351-L354 WeakPolarHBondContact O-CB 3.5Å; L351-L354 PolarHBondContact O-N 3.27Å; Q352-L354 PolarHBondContact O-N 3.26Å; L354-Y356 PolarHBondContact O-N 3.39Å; L354-N357 PolarHBondContact O-N 3.43Å; L354-L360 HydrophobicContact CD2-CD1 4.45Å; L354-L364 HydrophobicContact CB-CD1 3.93Å; L354-L364 HydrophobicContact CD1-CD2 4.12Å
355	Y	91.2	Very high	90.3	Very high	11 Å²	11	51.4 Å²	51.4	4%	0.043	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-26	-178.2	-94.7	-69.1	0	0	0	115	L351 Q352 N357 N361 L364 T368 L393 V397 S400	L351-Y355 PolarHBondContact O-N 2.91Å; Q352-Y355 PolarHBondContact O-N 3.11Å; Y355-N357 PolarHBondContact O-N 2.56Å; Y355-N361 WeakPolarHBondContact CD1-OD1 3.05Å; Y355-L364 HydrophobicContact CD1-CD1 4.19Å; Y355-L364 HydrophobicContact CD2-CD1 3.85Å; Y355-L364 HydrophobicContact CE1-CB 4.48Å; Y355-L364 HydrophobicContact CE1-CD1 4.09Å; Y355-L364 HydrophobicContact CE2-CB 4.29Å; Y355-L364 HydrophobicContact CE2-CD1 3.77Å; Y355-L364 HydrophobicContact CG-CD1 4.06Å; Y355-T368 VanDerWaalsContact OH-CB 3.27Å; Y355-T368 WeakPolarHBondContact OH-CB 3.38Å; Y355-T368 PolarHBondContact OH-OG1 3.32Å; Y355-L393 HydrophobicContact CD2-CD1 3.72Å; Y355-L393 HydrophobicContact CE2-CD1 4.34Å; Y355-L393 HydrophobicContact CG-CD1 4.46Å; Y355-V397 HydrophobicContact CD2-CG2 4.45Å; Y355-V397 HydrophobicContact CE1-CG2 4.23Å; Y355-V397 HydrophobicContact CE2-CG2 3.94Å; Y355-S400 VanDerWaalsContact CE1-OG 3.29Å; Y355-S400 WeakPolarHBondContact CE1-OG 3.39Å
356	Y	86.9	Confident	89.9	Confident	188 Å²	188	54.6 Å²	54.6	74%	0.737	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.1	173.7	-162.2	-87.1	0	0	0	112.7	Q352 L354	Q352-Y356 PolarHBondContact O-N 3.42Å; L354-Y356 PolarHBondContact O-N 3.39Å
357	N	82.8	Confident	89.7	Confident	62 Å²	62	52.3 Å²	52.3	33%	0.332	26%	0.259	S	S	.	.	S	Bend	trans	-94.5	100.9	170.5	-175.8	4.3	0	0	0	110.4	L354 Y355 E359 L360	L354-N357 PolarHBondContact O-N 3.43Å; Y355-N357 PolarHBondContact O-N 2.56Å; N357-E359 PolarHBondContact O-N 2.87Å; N357-E359 PolarHBondContact OD1-N 3.02Å; N357-L360 HydrophobicContact CB-CD1 3.95Å; N357-L360 HydrophobicContact CB-CG 3.99Å; N357-L360 WeakPolarHBondContact O-CB 3.18Å; N357-L360 PolarHBondContact O-N 2.94Å
358	K	79.6	Confident	89.4	Confident	147 Å²	147	52.5 Å²	52.5	64%	0.639	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-56.9	-25.2	-176.9	-63.2	-162.4	176.1	-154.7	0	114.6	L360 N361	K358-L360 PolarHBondContact O-N 2.8Å; K358-N361 PolarHBondContact O-N 3.46Å
359	E	82.4	Confident	89.1	Confident	165 Å²	165	55.9 Å²	55.9	77%	0.771	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-66.5	-18.2	177.3	-59.4	179.1	161.7	0	0	113.1	N357	N357-E359 PolarHBondContact O-N 2.87Å; N357-E359 PolarHBondContact OD1-N 3.02Å
360	L	82.3	Confident	89	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.047	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-94.2	-12.4	-177	-55.4	-174.4	0	0	0	113.7	S320 L324 L354 N357 K358 S362 K363	S320-L360 WeakPolarHBondContact OG-CD2 3.46Å; L324-L360 HydrophobicContact CD2-CB 3.75Å; L324-L360 HydrophobicContact CD2-CD1 4.11Å; L324-L360 HydrophobicContact CD2-CD2 4.21Å; L324-L360 HydrophobicContact CD2-CG 4.23Å; L354-L360 HydrophobicContact CD2-CD1 4.45Å; N357-L360 HydrophobicContact CB-CD1 3.95Å; N357-L360 HydrophobicContact CB-CG 3.99Å; N357-L360 WeakPolarHBondContact O-CB 3.18Å; N357-L360 PolarHBondContact O-N 2.94Å; K358-L360 PolarHBondContact O-N 2.8Å; L360-S362 VanDerWaalsContact C-N 3.34Å; L360-S362 PolarHBondContact O-N 3.02Å; L360-K363 WeakPolarHBondContact O-CB 3.23Å; L360-K363 PolarHBondContact O-N 3.39Å
361	N	81.8	Confident	89	Confident	18 Å²	18	63.5 Å²	63.5	10%	0.096	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-60.7	-37.7	-165.9	-70.5	-13.9	0	0	0	113.7	Y355 K358 K363 L364 E365 S400	Y355-N361 WeakPolarHBondContact CD1-OD1 3.05Å; K358-N361 PolarHBondContact O-N 3.46Å; N361-K363 VanDerWaalsContact C-N 3.25Å; N361-K363 PolarHBondContact O-N 3.14Å; N361-L364 WeakPolarHBondContact O-CA 3.37Å; N361-L364 WeakPolarHBondContact O-CB 3.38Å; N361-L364 PolarHBondContact O-N 2.93Å; N361-E365 PolarHBondContact O-N 3.03Å; N361-S400 WeakPolarHBondContact ND2-CB 3.29Å
362	S	83.5	Confident	89	Confident	86 Å²	86	64.6 Å²	64.6	60%	0.601	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-68.1	-21.4	178.7	56.4	0	0	0	0	114.1	L360 L364 E365	L360-S362 VanDerWaalsContact C-N 3.34Å; L360-S362 PolarHBondContact O-N 3.02Å; S362-L364 VanDerWaalsContact C-N 3.26Å; S362-E365 WeakPolarHBondContact CA-OE1 3.37Å
363	K	83.4	Confident	89	Confident	76 Å²	76	68.2 Å²	68.2	33%	0.33	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-78.7	-8.7	169.7	-64.2	-178.5	178.6	175.9	0	112.8	S320 D321 L324 L360 N361	S320-K363 PolarHBondContact O-NZ 3.45Å; S320-K363 VanDerWaalsContact O-NZ 3.09Å; D321-K363 IonicContact OD1-NZ 3.29Å; D321-K363 PolarHBondContact OD1-NZ 2.8Å; L324-K363 HydrophobicContact CB-CD 4.39Å; L324-K363 HydrophobicContact CD2-CB 3.93Å; L324-K363 HydrophobicContact CD2-CD 4.08Å; L324-K363 HydrophobicContact CG-CB 4.07Å; L324-K363 HydrophobicContact CG-CD 4.25Å; L360-K363 WeakPolarHBondContact O-CB 3.23Å; L360-K363 PolarHBondContact O-N 3.39Å; N361-K363 VanDerWaalsContact C-N 3.25Å; N361-K363 PolarHBondContact O-N 3.14Å
364	L	89.9	Confident	89.3	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-18.4	-178.1	-67.3	168.4	0	0	0	113.7	L324 L329 L354 Y355 N361 S362 L366 F367 T368	L324-L364 HydrophobicContact CD1-CD2 3.92Å; L329-L364 HydrophobicContact CD1-CD2 4.17Å; L329-L364 HydrophobicContact CD2-CD2 4.1Å; L354-L364 HydrophobicContact CB-CD1 3.93Å; L354-L364 HydrophobicContact CD1-CD2 4.12Å; Y355-L364 HydrophobicContact CD1-CD1 4.19Å; Y355-L364 HydrophobicContact CD2-CD1 3.85Å; Y355-L364 HydrophobicContact CE1-CB 4.48Å; Y355-L364 HydrophobicContact CE1-CD1 4.09Å; Y355-L364 HydrophobicContact CE2-CB 4.29Å; Y355-L364 HydrophobicContact CE2-CD1 3.77Å; Y355-L364 HydrophobicContact CG-CD1 4.06Å; N361-L364 WeakPolarHBondContact O-CA 3.37Å; N361-L364 WeakPolarHBondContact O-CB 3.38Å; N361-L364 PolarHBondContact O-N 2.93Å; S362-L364 VanDerWaalsContact C-N 3.26Å; L364-L366 PolarHBondContact O-N 2.99Å; L364-F367 PolarHBondContact O-N 3.48Å; L364-F367 VanDerWaalsContact O-N 3.07Å; L364-T368 PolarHBondContact O-N 2.98Å; L364-T368 PolarHBondContact O-OG1 3.41Å
365	E	86.3	Confident	89.5	Confident	105 Å²	105	70.1 Å²	70.1	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-53.6	-44.9	-174.4	-71.9	168.1	-156	0	0	113.5	N361 S362 S369	N361-E365 PolarHBondContact O-N 3.03Å; S362-E365 WeakPolarHBondContact CA-OE1 3.37Å; E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.44Å; E365-S369 PolarHBondContact O-N 2.96Å; E365-S369 PolarHBondContact O-OG 2.97Å
366	L	90.1	Very high	89.8	Confident	114 Å²	114	70.3 Å²	70.3	60%	0.597	34%	0.335	S	S	*	.	H	α-helix	trans	-68.7	-36.2	178.3	-178.2	61.7	0	0	0	112.9	L364 S369 R370	L364-L366 PolarHBondContact O-N 2.99Å; L366-S369 WeakPolarHBondContact CA-OG 3.35Å; L366-S369 PolarHBondContact O-OG 3.19Å; L366-R370 WeakPolarHBondContact O-CB 3.27Å; L366-R370 PolarHBondContact O-N 3.4Å
367	F	94.3	Very high	90.3	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-49.3	175	173.7	-90.1	0	0	0	110.6	L329 M336 L351 L364 R370 F371	L329-F367 HydrophobicContact CB-CD2 3.74Å; L329-F367 HydrophobicContact CB-CE2 4.09Å; L329-F367 HydrophobicContact CB-CG 4.41Å; L329-F367 HydrophobicContact CD1-CB 4.1Å; L329-F367 HydrophobicContact CD1-CD2 4.44Å; L329-F367 HydrophobicContact CD1-CG 4.34Å; L329-F367 HydrophobicContact CD2-CD2 4.48Å; L329-F367 HydrophobicContact CG-CD2 4.46Å; L329-F367 WeakPolarHBondContact O-CE2 3.48Å; M336-F367 HydrophobicContact CE-CE1 4.27Å; M336-F367 HydrophobicContact CE-CZ 3.87Å; L351-F367 HydrophobicContact CD1-CE1 3.82Å; L351-F367 HydrophobicContact CD1-CZ 4.21Å; L351-F367 HydrophobicContact CD2-CD1 4.2Å; L351-F367 HydrophobicContact CD2-CE1 3.51Å; L351-F367 HydrophobicContact CD2-CZ 3.97Å; L351-F367 HydrophobicContact CG-CE1 4.34Å; L364-F367 PolarHBondContact O-N 3.48Å; L364-F367 VanDerWaalsContact O-N 3.07Å; F367-R370 WeakPolarHBondContact O-CB 3.16Å; F367-R370 PolarHBondContact O-N 3.15Å; F367-F371 HydrophobicContact CD1-CD2 4.41Å; F367-F371 AromaticContact CD2-CD2 3.61Å; F367-F371 HydrophobicContact CD2-CD2 3.61Å; F367-F371 AromaticContact CD2-CE2 3.79Å; F367-F371 HydrophobicContact CD2-CE2 3.79Å; F367-F371 HydrophobicContact CE1-CB 4.48Å; F367-F371 HydrophobicContact CE1-CD2 4.21Å; F367-F371 AromaticContact CE2-CD2 3.41Å; F367-F371 HydrophobicContact CE2-CD2 3.41Å; F367-F371 VanDerWaalsContact CE2-CD2 3.41Å; F367-F371 AromaticContact CE2-CE2 3.55Å; F367-F371 HydrophobicContact CE2-CE2 3.55Å; F367-F371 HydrophobicContact CE2-CG 4.36Å; F367-F371 HydrophobicContact CG-CD2 4.13Å; F367-F371 AromaticContact CZ-CD2 3.74Å; F367-F371 HydrophobicContact CZ-CD2 3.74Å; F367-F371 HydrophobicContact CZ-CE2 4.27Å; F367-F371 HydrophobicContact CZ-CG 4.3Å; F367-F371 WeakPolarHBondContact O-CD2 3.29Å; F367-F371 PolarHBondContact O-N 3.48Å
368	T	92.7	Very high	91.1	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-70.6	-43.4	-174.4	-62.9	0	0	0	0	111.2	Y355 L364 R370 F371 K372 V397 V404	Y355-T368 VanDerWaalsContact OH-CB 3.27Å; Y355-T368 WeakPolarHBondContact OH-CB 3.38Å; Y355-T368 PolarHBondContact OH-OG1 3.32Å; L364-T368 PolarHBondContact O-N 2.98Å; L364-T368 PolarHBondContact O-OG1 3.41Å; T368-R370 PolarHBondContact O-N 3.26Å; T368-F371 CarbonylContact O-C 3.59Å; T368-F371 PolarHBondContact O-N 3.4Å; T368-K372 WeakPolarHBondContact O-CA 3.47Å; T368-K372 WeakPolarHBondContact O-CB 3.43Å; T368-K372 PolarHBondContact O-N 2.69Å; T368-V397 HydrophobicContact CG2-CG1 4.16Å; T368-V397 HydrophobicContact CG2-CG2 4.05Å; T368-V404 HydrophobicContact CG2-CG1 4.01Å
369	S	90.9	Very high	92	Very high	72 Å²	72	54.4 Å²	54.4	50%	0.503	27%	0.274	S	S	.	.	H	α-helix	trans	-56.4	-33.2	172.2	53.1	0	0	0	0	113	E365 L366	E365-S369 VanDerWaalsContact O-CB 3.29Å; E365-S369 WeakPolarHBondContact O-CB 3.44Å; E365-S369 PolarHBondContact O-N 2.96Å; E365-S369 PolarHBondContact O-OG 2.97Å; L366-S369 WeakPolarHBondContact CA-OG 3.35Å; L366-S369 PolarHBondContact O-OG 3.19Å
370	R	94.8	Very high	92.7	Very high	194 Å²	194	52.6 Å²	52.6	73%	0.732	27%	0.269	S	S	*	.	H	α-helix	trans	-76.1	-29.4	175.1	-177.4	173.7	-174.7	152	7.8	114.8	L366 F367 T368	L366-R370 WeakPolarHBondContact O-CB 3.27Å; L366-R370 PolarHBondContact O-N 3.4Å; F367-R370 WeakPolarHBondContact O-CB 3.16Å; F367-R370 PolarHBondContact O-N 3.15Å; T368-R370 PolarHBondContact O-N 3.26Å
371	F	96.8	Very high	93.5	Very high	28 Å²	28	53.1 Å²	53.1	12%	0.123	27%	0.272	C	S	.	.	H	α-helix	trans	-114.6	1.9	-174.7	-71.3	-73.3	0	0	0	114.5	G333 M336 F367 T368 D373 R374 I375	G333-F371 WeakPolarHBondContact O-CE1 3.38Å; M336-F371 HydrophobicContact CE-CB 3.86Å; M336-F371 HydrophobicContact CE-CD1 4.24Å; M336-F371 HydrophobicContact CE-CG 4.07Å; F367-F371 HydrophobicContact CD1-CD2 4.41Å; F367-F371 AromaticContact CD2-CD2 3.61Å; F367-F371 HydrophobicContact CD2-CD2 3.61Å; F367-F371 AromaticContact CD2-CE2 3.79Å; F367-F371 HydrophobicContact CD2-CE2 3.79Å; F367-F371 HydrophobicContact CE1-CB 4.48Å; F367-F371 HydrophobicContact CE1-CD2 4.21Å; F367-F371 AromaticContact CE2-CD2 3.41Å; F367-F371 HydrophobicContact CE2-CD2 3.41Å; F367-F371 VanDerWaalsContact CE2-CD2 3.41Å; F367-F371 AromaticContact CE2-CE2 3.55Å; F367-F371 HydrophobicContact CE2-CE2 3.55Å; F367-F371 HydrophobicContact CE2-CG 4.36Å; F367-F371 HydrophobicContact CG-CD2 4.13Å; F367-F371 AromaticContact CZ-CD2 3.74Å; F367-F371 HydrophobicContact CZ-CD2 3.74Å; F367-F371 HydrophobicContact CZ-CE2 4.27Å; F367-F371 HydrophobicContact CZ-CG 4.3Å; F367-F371 WeakPolarHBondContact O-CD2 3.29Å; F367-F371 PolarHBondContact O-N 3.48Å; T368-F371 CarbonylContact O-C 3.59Å; T368-F371 PolarHBondContact O-N 3.4Å; F371-D373 PolarHBondContact O-N 2.75Å; F371-R374 WeakPolarHBondContact O-CA 3.29Å; F371-R374 WeakPolarHBondContact O-CB 3.48Å; F371-R374 PolarHBondContact O-N 2.98Å; F371-I375 PolarHBondContact O-N 3.2Å
372	K	96.1	Very high	94.1	Very high	25 Å²	25	60.3 Å²	60.3	11%	0.109	30%	0.302	C	S	.	.	H	α-helix	trans	-52.3	-51	-178	-177.5	-133.7	62.3	166.8	0	111.7	T368 R374 I375 V376 V404 L405 D409	T368-K372 WeakPolarHBondContact O-CA 3.47Å; T368-K372 WeakPolarHBondContact O-CB 3.43Å; T368-K372 PolarHBondContact O-N 2.69Å; K372-R374 PolarHBondContact O-N 3.28Å; K372-I375 PolarHBondContact O-N 2.93Å; K372-V376 HydrophobicContact CG-CG2 4.41Å; K372-V376 WeakPolarHBondContact O-CG2 3.5Å; K372-V376 PolarHBondContact O-N 3.1Å; K372-V404 WeakPolarHBondContact CD-O 3.33Å; K372-L405 HydrophobicContact CD-CD2 4.23Å; K372-L405 HydrophobicContact CG-CD2 3.95Å; K372-D409 WeakPolarHBondContact CD-OD2 3.34Å; K372-D409 VanDerWaalsContact CE-OD1 3.23Å; K372-D409 WeakPolarHBondContact CE-OD1 3.38Å; K372-D409 WeakPolarHBondContact CE-OD2 3.48Å; K372-D409 IonicContact NZ-OD1 3.01Å; K372-D409 PolarHBondContact NZ-OD1 2.85Å; K372-D409 IonicContact NZ-OD2 3.34Å; K372-D409 PolarHBondContact NZ-OD2 3.45Å
373	D	97.4	Very high	94.7	Very high	108 Å²	108	60 Å²	60	58%	0.578	29%	0.292	S	S	*	.	H	α-helix	trans	-57.8	-36.4	179.3	-54.1	-33.7	0	0	0	112	F371 S377	F371-D373 PolarHBondContact O-N 2.75Å; D373-S377 WeakPolarHBondContact O-CB 3.48Å; D373-S377 PolarHBondContact O-N 3.15Å; D373-S377 PolarHBondContact O-OG 2.93Å
374	R	98.1	Very high	95.3	Very high	52 Å²	52	59.7 Å²	59.7	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-44.1	175	178	61.4	-168.1	131.8	3.9	111.1	M336 H337 F371 K372 V376 S377 M378 D381	M336-R374 HydrophobicContact CB-CG 4.3Å; M336-R374 PolarHBondContact O-NE 3.22Å; M336-R374 PolarHBondContact O-NH2 2.92Å; H337-R374 WeakPolarHBondContact NE2-CD 3.48Å; F371-R374 WeakPolarHBondContact O-CA 3.29Å; F371-R374 WeakPolarHBondContact O-CB 3.48Å; F371-R374 PolarHBondContact O-N 2.98Å; K372-R374 PolarHBondContact O-N 3.28Å; R374-V376 VanDerWaalsContact C-N 3.35Å; R374-S377 WeakPolarHBondContact CA-OG 3.32Å; R374-S377 PolarHBondContact NH1-OG 3.36Å; R374-S377 PolarHBondContact O-N 2.83Å; R374-S377 PolarHBondContact O-OG 3.18Å; R374-M378 HydrophobicContact CG-SD 4.16Å; R374-M378 VanDerWaalsContact NH1-CG 3.31Å; R374-M378 VanDerWaalsContact NH2-CG 3.32Å; R374-M378 VanDerWaalsContact O-CG 3.28Å; R374-M378 WeakPolarHBondContact O-CG 3.28Å; R374-M378 PolarHBondContact O-N 3.47Å; R374-M378 VanDerWaalsContact O-N 3.12Å; R374-D381 IonicContact NH2-OD2 3.98Å
375	I	98.3	Very high	95.7	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.5	-61	166.1	0	0	0	110.6	M336 F371 K372 M378 L393 L394	M336-I375 HydrophobicContact CE-CG1 4.25Å; M336-I375 HydrophobicContact SD-CG1 3.92Å; F371-I375 PolarHBondContact O-N 3.2Å; K372-I375 PolarHBondContact O-N 2.93Å; I375-M378 WeakPolarHBondContact O-CB 3.44Å; I375-M378 PolarHBondContact O-N 3.4Å; I375-M378 VanDerWaalsContact O-N 3.1Å; I375-L393 HydrophobicContact CD1-CD2 4.04Å; I375-L393 HydrophobicContact CG1-CD2 4.41Å; I375-L393 HydrophobicContact CG2-CD2 3.99Å; I375-L393 HydrophobicContact CG2-CG 4.36Å; I375-L394 HydrophobicContact CB-CD2 4.45Å; I375-L394 HydrophobicContact CG2-CD1 4.49Å; I375-L394 HydrophobicContact CG2-CD2 3.79Å; I375-L394 HydrophobicContact CG2-CG 3.89Å
376	V	97.9	Very high	96.3	Very high	14 Å²	14	60 Å²	60	9%	0.085	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-45.3	173.2	176.9	0	0	0	0	110.7	K372 R374 M378 T379 L394 D409 N412	K372-V376 HydrophobicContact CG-CG2 4.41Å; K372-V376 WeakPolarHBondContact O-CG2 3.5Å; K372-V376 PolarHBondContact O-N 3.1Å; R374-V376 VanDerWaalsContact C-N 3.35Å; V376-M378 PolarHBondContact O-N 3.01Å; V376-T379 WeakPolarHBondContact O-CG2 3.36Å; V376-T379 PolarHBondContact O-N 3.04Å; V376-T379 PolarHBondContact O-OG1 3.46Å; V376-L394 HydrophobicContact CG2-CD1 4.06Å; V376-L394 HydrophobicContact CG2-CD2 3.91Å; V376-D409 HydrophobicContact CG2-CB 4.11Å; V376-N412 HydrophobicContact CG1-CB 4.42Å
377	S	97.9	Very high	96.7	Very high	58 Å²	58	54.6 Å²	54.6	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-13.5	174.3	78	0	0	0	0	114.8	D373 R374	D373-S377 WeakPolarHBondContact O-CB 3.48Å; D373-S377 PolarHBondContact O-N 3.15Å; D373-S377 PolarHBondContact O-OG 2.93Å; R374-S377 WeakPolarHBondContact CA-OG 3.32Å; R374-S377 PolarHBondContact NH1-OG 3.36Å; R374-S377 PolarHBondContact O-N 2.83Å; R374-S377 PolarHBondContact O-OG 3.18Å
378	M	98.6	Very high	96.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.4	177	-70.8	173.1	72.1	0	0	113.3	M336 R344 L348 R374 I375 V376 L380 D381 V386 A387 A390	M336-M378 HydrophobicContact CB-SD 4.07Å; M336-M378 HydrophobicContact CG-SD 4.36Å; M336-M378 HydrophobicContact SD-SD 4.36Å; R344-M378 HydrophobicContact CB-CE 3.7Å; R344-M378 HydrophobicContact CG-CE 4.27Å; L348-M378 HydrophobicContact CD1-CE 3.75Å; L348-M378 HydrophobicContact CD2-CE 4.16Å; L348-M378 HydrophobicContact CD2-SD 4.48Å; L348-M378 HydrophobicContact CG-CE 3.94Å; R374-M378 HydrophobicContact CG-SD 4.16Å; R374-M378 VanDerWaalsContact NH1-CG 3.31Å; R374-M378 VanDerWaalsContact NH2-CG 3.32Å; R374-M378 VanDerWaalsContact O-CG 3.28Å; R374-M378 WeakPolarHBondContact O-CG 3.28Å; R374-M378 PolarHBondContact O-N 3.47Å; R374-M378 VanDerWaalsContact O-N 3.12Å; I375-M378 WeakPolarHBondContact O-CB 3.44Å; I375-M378 PolarHBondContact O-N 3.4Å; I375-M378 VanDerWaalsContact O-N 3.1Å; V376-M378 PolarHBondContact O-N 3.01Å; M378-L380 PolarHBondContact O-N 3.03Å; M378-D381 VanDerWaalsContact O-CB 3.29Å; M378-D381 WeakPolarHBondContact O-CB 3.33Å; M378-D381 PolarHBondContact O-N 3.47Å; M378-V386 HydrophobicContact CE-CG1 3.54Å; M378-A387 VanDerWaalsContact O-CA 3.28Å; M378-A387 WeakPolarHBondContact O-CA 3.3Å; M378-A390 HydrophobicContact CB-CB 3.7Å; M378-A390 WeakPolarHBondContact O-CB 3.43Å
379	T	98.4	Very high	97.2	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.3	169.5	68	0	0	0	0	112.1	V376 A387 A390 I391 L394 V413 L416	V376-T379 WeakPolarHBondContact O-CG2 3.36Å; V376-T379 PolarHBondContact O-N 3.04Å; V376-T379 PolarHBondContact O-OG1 3.46Å; T379-A387 VanDerWaalsContact O-CB 3.28Å; T379-A387 WeakPolarHBondContact O-CB 3.41Å; T379-A390 HydrophobicContact CG2-CB 4.18Å; T379-I391 HydrophobicContact CG2-CG1 3.62Å; T379-L394 HydrophobicContact CG2-CD1 3.57Å; T379-V413 HydrophobicContact CG2-CG2 4.27Å; T379-L416 VanDerWaalsContact CB-CD1 3.49Å; T379-L416 HydrophobicContact CG2-CD1 4.49Å
380	L	96.9	Very high	97.6	Very high	128 Å²	128	53 Å²	53	67%	0.67	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	33.7	170.3	-68	172.9	0	0	0	112.1	M378 L416	M378-L380 PolarHBondContact O-N 3.03Å; L380-L416 HydrophobicContact CD2-CD2 3.63Å; L380-L416 HydrophobicContact CG-CD2 4.33Å
381	D	98.4	Very high	97.7	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.102	22%	0.216	C	C	.	.			trans	-66.6	150.1	175.1	-160.4	-71.1	0	0	0	111.8	R344 R374 M378 E383 V386	R344-D381 IonicContact CZ-OD1 3.9Å; R344-D381 IonicContact CZ-OD2 2.74Å; R344-D381 IonicContact NE-OD1 3.87Å; R344-D381 PolarHBondContact NE-OD1 2.85Å; R344-D381 IonicContact NE-OD2 3.11Å; R344-D381 PolarHBondContact NE-OD2 3Å; R344-D381 IonicContact NH2-OD1 2.76Å; R344-D381 PolarHBondContact NH2-OD1 3.16Å; R344-D381 IonicContact NH2-OD2 2.69Å; R374-D381 IonicContact NH2-OD2 3.98Å; M378-D381 VanDerWaalsContact O-CB 3.29Å; M378-D381 WeakPolarHBondContact O-CB 3.33Å; M378-D381 PolarHBondContact O-N 3.47Å; D381-E383 PolarHBondContact O-N 3.31Å; D381-E383 VanDerWaalsContact O-N 3.14Å; D381-E383 PolarHBondContact OD1-N 2.92Å; D381-V386 HydrophobicContact CB-CB 4Å; D381-V386 HydrophobicContact CB-CG1 3.92Å
382	K	95	Very high	97.8	Very high	169 Å²	169	46.2 Å²	46.2	74%	0.735	23%	0.226	S	C	*	.	S	Bend	trans	-66.5	-14	-177.8	-71	-170.3	174.4	-170.9	0	114	R1242	K382-R1242 PolarHBondContact O-NH1 2.83Å
383	E	96.7	Very high	97.9	Very high	80 Å²	80	45 Å²	45	37%	0.374	22%	0.222	S	C	.	.	S	Bend	trans	-118.5	111.7	179.1	-69.5	165.6	-104.8	0	0	108.5	G341 R344 D381 D385 V386 A387	G341-E383 VanDerWaalsContact CA-CD 3.47Å; G341-E383 WeakPolarHBondContact CA-OE1 3.28Å; G341-E383 WeakPolarHBondContact CA-OE2 3.35Å; G341-E383 PolarHBondContact N-OE1 3.32Å; G341-E383 PolarHBondContact N-OE2 3.38Å; R344-E383 IonicContact CZ-OE1 2.83Å; R344-E383 IonicContact NH1-OE1 2.79Å; R344-E383 IonicContact NH2-OE1 3.21Å; R344-E383 PolarHBondContact NH2-OE1 2.66Å; D381-E383 PolarHBondContact O-N 3.31Å; D381-E383 VanDerWaalsContact O-N 3.14Å; D381-E383 PolarHBondContact OD1-N 2.92Å; E383-D385 VanDerWaalsContact C-N 3.25Å; E383-D385 PolarHBondContact O-N 3.07Å; E383-D385 VanDerWaalsContact O-N 3.14Å; E383-V386 HydrophobicContact CB-CG2 4.01Å; E383-V386 WeakPolarHBondContact O-CB 3.42Å; E383-V386 PolarHBondContact O-N 3.31Å; E383-A387 PolarHBondContact O-N 2.89Å
384	Y	96.6	Very high	97.9	Very high	70 Å²	70	40 Å²	40	28%	0.275	20%	0.195	S	C	.	.	H	α-helix	trans	-59.5	-31	-168.8	-65.1	-57.5	0	0	0	114.2	V386 A387 V388 H421 V424	Y384-V386 PolarHBondContact O-N 2.78Å; Y384-A387 WeakPolarHBondContact O-CB 3.41Å; Y384-A387 PolarHBondContact O-N 2.75Å; Y384-A387 VanDerWaalsContact O-N 3.15Å; Y384-V388 WeakPolarHBondContact O-CG2 3.42Å; Y384-V388 PolarHBondContact O-N 3.44Å; Y384-H421 WeakPolarHBondContact CB-CE1 3.18Å; Y384-H421 WeakPolarHBondContact CB-ND1 3.45Å; Y384-H421 HydrophobicContact CD1-CB 4.15Å; Y384-H421 AromaticContact CD1-ND1 4Å; Y384-H421 HydrophobicContact CD2-CB 4.22Å; Y384-H421 AromaticContact CD2-CD2 3.77Å; Y384-H421 AromaticContact CD2-CG 3.72Å; Y384-H421 AromaticContact CD2-ND1 3.9Å; Y384-H421 AromaticContact CD2-NE2 3.99Å; Y384-H421 HydrophobicContact CE1-CB 4.08Å; Y384-H421 HydrophobicContact CE2-CB 4.17Å; Y384-H421 HydrophobicContact CG-CB 4.23Å; Y384-H421 AromaticContact CG-CE1 3.84Å; Y384-H421 AromaticContact CG-CG 3.75Å; Y384-H421 AromaticContact CG-ND1 3.52Å; Y384-V424 HydrophobicContact CD1-CG2 4.09Å
385	D	97.9	Very high	97.7	Very high	108 Å²	108	37.7 Å²	37.7	58%	0.578	19%	0.186	S	C	*	.	H	α-helix	trans	-60.1	-36	174.5	-77.1	-22.5	0	0	0	112.1	L345 E383 Q389	L345-D385 HydrophobicContact CD1-CB 4.29Å; L345-D385 WeakPolarHBondContact CD1-O 3.3Å; E383-D385 VanDerWaalsContact C-N 3.25Å; E383-D385 PolarHBondContact O-N 3.07Å; E383-D385 VanDerWaalsContact O-N 3.14Å; D385-Q389 WeakPolarHBondContact O-CG 3.49Å; D385-Q389 PolarHBondContact O-N 3.38Å
386	V	98.6	Very high	97.5	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-44.1	175.1	-175.4	0	0	0	0	109.9	R344 L345 L348 M378 D381 E383 Y384 V388 Q389 A390	R344-V386 HydrophobicContact CB-CG1 3.86Å; R344-V386 HydrophobicContact CB-CG2 4.37Å; L345-V386 HydrophobicContact CB-CG2 4.34Å; L348-V386 HydrophobicContact CD1-CG1 3.73Å; L348-V386 VanDerWaalsContact CD1-O 3.24Å; L348-V386 WeakPolarHBondContact CD1-O 3.18Å; M378-V386 HydrophobicContact CE-CG1 3.54Å; D381-V386 HydrophobicContact CB-CB 4Å; D381-V386 HydrophobicContact CB-CG1 3.92Å; E383-V386 HydrophobicContact CB-CG2 4.01Å; E383-V386 WeakPolarHBondContact O-CB 3.42Å; E383-V386 PolarHBondContact O-N 3.31Å; Y384-V386 PolarHBondContact O-N 2.78Å; V386-V388 PolarHBondContact O-N 2.84Å; V386-Q389 PolarHBondContact O-N 2.84Å; V386-A390 PolarHBondContact O-N 2.71Å
387	A	98.6	Very high	97.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-44.9	176.1	0	0	0	0	0	113	M378 T379 E383 Y384 Q389 A390 I391 V424	M378-A387 VanDerWaalsContact O-CA 3.28Å; M378-A387 WeakPolarHBondContact O-CA 3.3Å; T379-A387 VanDerWaalsContact O-CB 3.28Å; T379-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 2.89Å; Y384-A387 WeakPolarHBondContact O-CB 3.41Å; Y384-A387 PolarHBondContact O-N 2.75Å; Y384-A387 VanDerWaalsContact O-N 3.15Å; A387-Q389 VanDerWaalsContact C-N 3.31Å; A387-Q389 PolarHBondContact O-N 3.13Å; A387-A390 PolarHBondContact O-N 2.91Å; A387-A390 VanDerWaalsContact O-N 3.16Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.04Å; A387-V424 HydrophobicContact CB-CG2 3.98Å
388	V	98.6	Very high	97	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-42.8	175	172.9	0	0	0	0	111.4	Y384 V386 K392 P423 V424 A427	Y384-V388 WeakPolarHBondContact O-CG2 3.42Å; Y384-V388 PolarHBondContact O-N 3.44Å; V386-V388 PolarHBondContact O-N 2.84Å; V388-K392 HydrophobicContact CG1-CD 4.05Å; V388-K392 WeakPolarHBondContact O-CB 3.48Å; V388-K392 WeakPolarHBondContact O-CG 3.4Å; V388-K392 PolarHBondContact O-N 3.05Å; V388-K392 VanDerWaalsContact O-N 3.09Å; V388-P423 HydrophobicContact CG2-CB 3.86Å; V388-P423 WeakPolarHBondContact CG2-O 3.48Å; V388-V424 HydrophobicContact CG2-CG2 3.77Å; V388-A427 HydrophobicContact CG1-CB 4.47Å
389	Q	98.4	Very high	96.5	Very high	43 Å²	43	40.3 Å²	40.3	20%	0.201	19%	0.192	C	C	.	.	H	α-helix	trans	-74.9	-27.5	178.2	-58.2	-42.3	-33.6	0	0	113.4	L345 L348 T349 Q352 D385 V386 A387 L393	L345-Q389 HydrophobicContact CD1-CB 4.18Å; L345-Q389 HydrophobicContact CD1-CG 3.39Å; L348-Q389 HydrophobicContact CB-CB 3.93Å; L348-Q389 HydrophobicContact CD1-CB 3.87Å; T349-Q389 HydrophobicContact CG2-CG 4.14Å; Q352-Q389 PolarHBondContact NE2-O 2.99Å; D385-Q389 WeakPolarHBondContact O-CG 3.49Å; D385-Q389 PolarHBondContact O-N 3.38Å; V386-Q389 PolarHBondContact O-N 2.84Å; A387-Q389 VanDerWaalsContact C-N 3.31Å; A387-Q389 PolarHBondContact O-N 3.13Å; Q389-L393 VanDerWaalsContact O-CB 3.29Å; Q389-L393 WeakPolarHBondContact O-CB 3.26Å; Q389-L393 PolarHBondContact O-N 2.96Å
390	A	98.7	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-48.6	175.4	0	0	0	0	0	110.5	L348 M378 T379 V386 A387 K392 L393 L394	L348-A390 HydrophobicContact CD1-CB 3.99Å; L348-A390 HydrophobicContact CD2-CB 4.44Å; M378-A390 HydrophobicContact CB-CB 3.7Å; M378-A390 WeakPolarHBondContact O-CB 3.43Å; T379-A390 HydrophobicContact CG2-CB 4.18Å; V386-A390 PolarHBondContact O-N 2.71Å; A387-A390 PolarHBondContact O-N 2.91Å; A387-A390 VanDerWaalsContact O-N 3.16Å; A390-K392 PolarHBondContact O-N 3.24Å; A390-L393 WeakPolarHBondContact O-CB 3.42Å; A390-L393 PolarHBondContact O-N 3.13Å; A390-L394 WeakPolarHBondContact O-CG 3.34Å; A390-L394 PolarHBondContact O-N 2.75Å
391	I	98.7	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-48.8	175.4	-60	163.8	0	0	0	110.2	T379 A387 L393 L394 T395 V413 L416 V424 A427 F431	T379-I391 HydrophobicContact CG2-CG1 3.62Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.04Å; I391-L393 VanDerWaalsContact C-N 3.26Å; I391-L393 PolarHBondContact O-N 2.89Å; I391-L394 CarbonylContact O-C 3.49Å; I391-L394 WeakPolarHBondContact O-CA 3.23Å; I391-L394 WeakPolarHBondContact O-CB 3.37Å; I391-L394 PolarHBondContact O-N 3.21Å; I391-T395 PolarHBondContact O-N 2.93Å; I391-T395 PolarHBondContact O-OG1 3.16Å; I391-V413 HydrophobicContact CG2-CG1 3.91Å; I391-L416 HydrophobicContact CD1-CD1 3.8Å; I391-L416 HydrophobicContact CG1-CD1 4.23Å; I391-V424 HydrophobicContact CD1-CG1 3.82Å; I391-A427 HydrophobicContact CB-CB 4.1Å; I391-A427 HydrophobicContact CD1-CB 4.37Å; I391-A427 VanDerWaalsContact CG2-C 3.47Å; I391-A427 HydrophobicContact CG2-CB 3.93Å; I391-A427 VanDerWaalsContact CG2-O 3.32Å; I391-A427 WeakPolarHBondContact CG2-O 3.42Å; I391-F431 HydrophobicContact CG2-CB 4.27Å
392	K	98.1	Very high	93.9	Very high	78 Å²	78	40.8 Å²	40.8	34%	0.339	20%	0.198	S	C	.	.	H	α-helix	trans	-62.1	-30.5	177.9	-74.5	176.6	177.2	177.7	0	113.6	V388 A390 L396 A427	V388-K392 HydrophobicContact CG1-CD 4.05Å; V388-K392 WeakPolarHBondContact O-CB 3.48Å; V388-K392 WeakPolarHBondContact O-CG 3.4Å; V388-K392 PolarHBondContact O-N 3.05Å; V388-K392 VanDerWaalsContact O-N 3.09Å; A390-K392 PolarHBondContact O-N 3.24Å; K392-L396 WeakPolarHBondContact O-CG 3.47Å; K392-L396 PolarHBondContact O-N 3.29Å; K392-A427 HydrophobicContact CG-CB 4.25Å
393	L	97.5	Very high	93.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-44.9	171.1	179.4	58.4	0	0	0	111	L348 L351 Q352 Y355 I375 Q389 A390 I391 T395 L396 V397	L348-L393 HydrophobicContact CD2-CD2 3.66Å; L351-L393 HydrophobicContact CB-CD1 3.94Å; L351-L393 HydrophobicContact CB-CD2 3.81Å; L351-L393 HydrophobicContact CD1-CD2 3.89Å; Q352-L393 HydrophobicContact CG-CB 4.01Å; Q352-L393 HydrophobicContact CG-CD1 4.03Å; Y355-L393 HydrophobicContact CD2-CD1 3.72Å; Y355-L393 HydrophobicContact CE2-CD1 4.34Å; Y355-L393 HydrophobicContact CG-CD1 4.46Å; I375-L393 HydrophobicContact CD1-CD2 4.04Å; I375-L393 HydrophobicContact CG1-CD2 4.41Å; I375-L393 HydrophobicContact CG2-CD2 3.99Å; I375-L393 HydrophobicContact CG2-CG 4.36Å; Q389-L393 VanDerWaalsContact O-CB 3.29Å; Q389-L393 WeakPolarHBondContact O-CB 3.26Å; Q389-L393 PolarHBondContact O-N 2.96Å; A390-L393 WeakPolarHBondContact O-CB 3.42Å; A390-L393 PolarHBondContact O-N 3.13Å; I391-L393 VanDerWaalsContact C-N 3.26Å; I391-L393 PolarHBondContact O-N 2.89Å; L393-T395 VanDerWaalsContact C-N 3.28Å; L393-T395 PolarHBondContact O-N 2.89Å; L393-L396 WeakPolarHBondContact O-CB 3.29Å; L393-L396 PolarHBondContact O-N 3.34Å; L393-V397 WeakPolarHBondContact O-CG2 3.4Å; L393-V397 PolarHBondContact O-N 2.63Å
394	L	97.2	Very high	92.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-35.9	174.6	-65.7	167.8	0	0	0	112.1	I375 V376 T379 A390 I391 L396 V397 L398 L405 V413 F431	I375-L394 HydrophobicContact CB-CD2 4.45Å; I375-L394 HydrophobicContact CG2-CD1 4.49Å; I375-L394 HydrophobicContact CG2-CD2 3.79Å; I375-L394 HydrophobicContact CG2-CG 3.89Å; V376-L394 HydrophobicContact CG2-CD1 4.06Å; V376-L394 HydrophobicContact CG2-CD2 3.91Å; T379-L394 HydrophobicContact CG2-CD1 3.57Å; A390-L394 WeakPolarHBondContact O-CG 3.34Å; A390-L394 PolarHBondContact O-N 2.75Å; I391-L394 CarbonylContact O-C 3.49Å; I391-L394 WeakPolarHBondContact O-CA 3.23Å; I391-L394 WeakPolarHBondContact O-CB 3.37Å; I391-L394 PolarHBondContact O-N 3.21Å; L394-L396 VanDerWaalsContact C-N 3.3Å; L394-L396 PolarHBondContact O-N 3.01Å; L394-V397 PolarHBondContact O-N 2.74Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 2.7Å; L394-L405 HydrophobicContact CD2-CD2 3.87Å; L394-V413 HydrophobicContact CD1-CG2 3.85Å; L394-F431 HydrophobicContact CB-CD2 4.33Å; L394-F431 HydrophobicContact CB-CE2 4.05Å
395	T	95.8	Very high	92.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-37	172.1	-46.8	0	0	0	0	112.3	I391 L393 Q399 K434	I391-T395 PolarHBondContact O-N 2.93Å; I391-T395 PolarHBondContact O-OG1 3.16Å; L393-T395 VanDerWaalsContact C-N 3.28Å; L393-T395 PolarHBondContact O-N 2.89Å; T395-Q399 WeakPolarHBondContact O-CG 3.43Å; T395-Q399 PolarHBondContact O-N 3.38Å; T395-K434 HydrophobicContact CG2-CD 3.35Å
396	L	94.1	Very high	92.5	Very high	33 Å²	33	35 Å²	35	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-75.9	-36.5	174.5	-66.5	172.3	0	0	0	112.4	Q352 K392 L393 L394 Q399 S400	Q352-L396 HydrophobicContact CB-CD1 3.96Å; Q352-L396 HydrophobicContact CG-CD1 4.09Å; K392-L396 WeakPolarHBondContact O-CG 3.47Å; K392-L396 PolarHBondContact O-N 3.29Å; L393-L396 WeakPolarHBondContact O-CB 3.29Å; L393-L396 PolarHBondContact O-N 3.34Å; L394-L396 VanDerWaalsContact C-N 3.3Å; L394-L396 PolarHBondContact O-N 3.01Å; L396-Q399 CarbonylContact O-C 3.53Å; L396-Q399 PolarHBondContact O-N 3.49Å; L396-S400 PolarHBondContact O-N 3.42Å; L396-S400 VanDerWaalsContact O-N 3.1Å
397	V	93.4	Very high	92.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-48.5	172.8	172.2	0	0	0	0	109.8	Y355 T368 L393 L394 Q399 S400 S401 V404 L405	Y355-V397 HydrophobicContact CD2-CG2 4.45Å; Y355-V397 HydrophobicContact CE1-CG2 4.23Å; Y355-V397 HydrophobicContact CE2-CG2 3.94Å; T368-V397 HydrophobicContact CG2-CG1 4.16Å; T368-V397 HydrophobicContact CG2-CG2 4.05Å; L393-V397 WeakPolarHBondContact O-CG2 3.4Å; L393-V397 PolarHBondContact O-N 2.63Å; L394-V397 PolarHBondContact O-N 2.74Å; V397-Q399 VanDerWaalsContact C-N 3.29Å; V397-Q399 PolarHBondContact O-N 3.34Å; V397-S400 WeakPolarHBondContact CA-OG 3.5Å; V397-S400 WeakPolarHBondContact O-CA 3.34Å; V397-S400 WeakPolarHBondContact O-CB 3.42Å; V397-S400 PolarHBondContact O-N 3.26Å; V397-S400 PolarHBondContact O-OG 2.97Å; V397-S401 PolarHBondContact O-N 3.5Å; V397-V404 HydrophobicContact CG1-CB 4.15Å; V397-V404 HydrophobicContact CG1-CG1 3.88Å; V397-L405 HydrophobicContact CG1-CD2 4.22Å; V397-L405 HydrophobicContact CG1-CG 4.31Å
398	L	91.4	Very high	92	Very high	8 Å²	8	46 Å²	46	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-41.1	175.2	177.6	62.6	0	0	0	112.6	L394 S400 E402 L405 F431 K435	L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 2.7Å; L398-S400 PolarHBondContact O-N 2.93Å; L398-E402 HydrophobicContact CD1-CB 4.2Å; L398-E402 HydrophobicContact CD1-CG 3.93Å; L398-L405 HydrophobicContact CB-CD1 4.16Å; L398-F431 HydrophobicContact CB-CE2 4.24Å; L398-F431 HydrophobicContact CD2-CD2 4.29Å; L398-F431 HydrophobicContact CD2-CE2 3.98Å; L398-F431 HydrophobicContact CD2-CZ 4.29Å; L398-K435 HydrophobicContact CD1-CD 3.46Å; L398-K435 VanDerWaalsContact CD1-CD 3.46Å; L398-K435 HydrophobicContact CD2-CB 3.7Å; L398-K435 HydrophobicContact CD2-CD 3.69Å; L398-K435 HydrophobicContact CD2-CG 4.19Å; L398-K435 HydrophobicContact CG-CD 4.22Å
399	Q	87.2	Confident	91.9	Very high	89 Å²	89	46.2 Å²	46.2	42%	0.416	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7	175.5	-72.7	-174.1	-33.2	0	0	114.7	T395 L396 V397	T395-Q399 WeakPolarHBondContact O-CG 3.43Å; T395-Q399 PolarHBondContact O-N 3.38Å; L396-Q399 CarbonylContact O-C 3.53Å; L396-Q399 PolarHBondContact O-N 3.49Å; V397-Q399 VanDerWaalsContact C-N 3.29Å; V397-Q399 PolarHBondContact O-N 3.34Å
400	S	85.8	Confident	91.7	Very high	38 Å²	38	44.3 Å²	44.3	27%	0.266	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-43.3	177.4	74.6	0	0	0	0	112.8	Y355 N361 L396 V397 L398	Y355-S400 VanDerWaalsContact CE1-OG 3.29Å; Y355-S400 WeakPolarHBondContact CE1-OG 3.39Å; N361-S400 WeakPolarHBondContact ND2-CB 3.29Å; L396-S400 PolarHBondContact O-N 3.42Å; L396-S400 VanDerWaalsContact O-N 3.1Å; V397-S400 WeakPolarHBondContact CA-OG 3.5Å; V397-S400 WeakPolarHBondContact O-CA 3.34Å; V397-S400 WeakPolarHBondContact O-CB 3.42Å; V397-S400 PolarHBondContact O-N 3.26Å; V397-S400 PolarHBondContact O-OG 2.97Å; L398-S400 PolarHBondContact O-N 2.93Å
401	S	82.4	Confident	91.5	Very high	35 Å²	35	47.9 Å²	47.9	25%	0.245	25%	0.254	C	S	.	.			trans	-159.1	122.4	173.7	177.1	0	0	0	0	108.7	V397 E403	V397-S401 PolarHBondContact O-N 3.5Å; S401-E403 VanDerWaalsContact C-N 3.26Å; S401-E403 PolarHBondContact O-N 3.1Å; S401-E403 PolarHBondContact OG-N 2.97Å
402	E	70.9	Confident	91.2	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-74.6	-18.4	178.7	-57.7	-175.6	113	0	0	112.5	L398 V404 R439	L398-E402 HydrophobicContact CD1-CB 4.2Å; L398-E402 HydrophobicContact CD1-CG 3.93Å; E402-V404 VanDerWaalsContact C-N 3.3Å; E402-V404 PolarHBondContact O-N 3.07Å; E402-R439 IonicContact OE1-CZ 3.69Å; E402-R439 IonicContact OE1-NE 2.74Å; E402-R439 IonicContact OE1-NH2 2.72Å; E402-R439 PolarHBondContact OE1-NH2 3.47Å; E402-R439 IonicContact OE2-CZ 2.89Å; E402-R439 IonicContact OE2-NH2 2.55Å; E402-R439 PolarHBondContact OE2-NH2 2.91Å
403	E	81	Confident	91.2	Very high	188 Å²	188	47.9 Å²	47.9	88%	0.879	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-77.5	-12.8	-176.3	-59.3	-177	173.7	0	0	113.5	S401	S401-E403 VanDerWaalsContact C-N 3.26Å; S401-E403 PolarHBondContact O-N 3.1Å; S401-E403 PolarHBondContact OG-N 2.97Å
404	V	88.1	Confident	91.2	Very high	33 Å²	33	48.5 Å²	48.5	20%	0.2	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-79.7	-23.5	-176.5	176.4	0	0	0	0	112.6	T368 K372 V397 E402	T368-V404 HydrophobicContact CG2-CG1 4.01Å; K372-V404 WeakPolarHBondContact CD-O 3.33Å; V397-V404 HydrophobicContact CG1-CB 4.15Å; V397-V404 HydrophobicContact CG1-CG1 3.88Å; E402-V404 VanDerWaalsContact C-N 3.3Å; E402-V404 PolarHBondContact O-N 3.07Å
405	L	93.6	Very high	91	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.084	28%	0.275	C	S	.	.	S	Bend	trans	-105.9	126.4	-179.2	-56.7	-178.5	0	0	0	109.8	K372 L394 V397 L398 D409 F431	K372-L405 HydrophobicContact CD-CD2 4.23Å; K372-L405 HydrophobicContact CG-CD2 3.95Å; L394-L405 HydrophobicContact CD2-CD2 3.87Å; V397-L405 HydrophobicContact CG1-CD2 4.22Å; V397-L405 HydrophobicContact CG1-CG 4.31Å; L398-L405 HydrophobicContact CB-CD1 4.16Å; L405-D409 HydrophobicContact CB-CB 4.35Å; L405-F431 HydrophobicContact CD1-CE2 3.79Å; L405-F431 HydrophobicContact CD1-CZ 3.87Å
406	T	94.3	Very high	91.1	Very high	68 Å²	68	52.4 Å²	52.4	42%	0.417	28%	0.278	S	S	.	.			trans	-75.7	170	173.8	68.8	0	0	0	0	111.1	E408 D409 C410	T406-E408 VanDerWaalsContact C-N 3.3Å; T406-E408 PolarHBondContact O-N 3.47Å; T406-E408 PolarHBondContact OG1-N 2.86Å; T406-D409 VanDerWaalsContact CB-OD2 3.31Å; T406-D409 WeakPolarHBondContact CB-OD2 3.47Å; T406-D409 WeakPolarHBondContact CG2-OD2 3.3Å; T406-D409 PolarHBondContact N-OD2 2.91Å; T406-D409 PolarHBondContact O-N 2.82Å; T406-D409 PolarHBondContact OG1-N 3.08Å; T406-D409 VanDerWaalsContact OG1-N 3.08Å; T406-D409 PolarHBondContact OG1-OD2 3.39Å; T406-C410 PolarHBondContact O-N 3.02Å; T406-C410 VanDerWaalsContact O-N 3.12Å; T406-C410 PolarHBondContact O-SG 2.97Å
407	A	92.8	Very high	91.2	Very high	80 Å²	80	50.8 Å²	50.8	66%	0.661	27%	0.27	S	S	*	.	H	α-helix	trans	-58.4	-44.2	169.9	0	0	0	0	0	111.3	D409 C410 E411	A407-D409 VanDerWaalsContact C-N 3.33Å; A407-D409 PolarHBondContact O-N 2.86Å; A407-C410 WeakPolarHBondContact O-CB 3.39Å; A407-C410 PolarHBondContact O-N 2.97Å; A407-C410 VanDerWaalsContact O-N 3.09Å; A407-E411 PolarHBondContact O-N 3.41Å
408	E	94.1	Very high	91.3	Very high	155 Å²	155	51.7 Å²	51.7	72%	0.724	27%	0.273	S	S	*	.	H	α-helix	trans	-59.9	-39.9	177.2	-61.8	173.9	-167.4	0	0	112	T406 C410 N412	T406-E408 VanDerWaalsContact C-N 3.3Å; T406-E408 PolarHBondContact O-N 3.47Å; T406-E408 PolarHBondContact OG1-N 2.86Å; E408-C410 VanDerWaalsContact C-N 3.34Å; E408-C410 PolarHBondContact O-N 3.37Å; E408-N412 PolarHBondContact O-N 3.46Å; E408-N412 PolarHBondContact O-ND2 3.06Å
409	D	95.6	Very high	91.4	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-38.7	175	-60.8	-58.9	0	0	0	112	K372 V376 L405 T406 A407 V413	K372-D409 WeakPolarHBondContact CD-OD2 3.34Å; K372-D409 VanDerWaalsContact CE-OD1 3.23Å; K372-D409 WeakPolarHBondContact CE-OD1 3.38Å; K372-D409 WeakPolarHBondContact CE-OD2 3.48Å; K372-D409 IonicContact NZ-OD1 3.01Å; K372-D409 PolarHBondContact NZ-OD1 2.85Å; K372-D409 IonicContact NZ-OD2 3.34Å; K372-D409 PolarHBondContact NZ-OD2 3.45Å; V376-D409 HydrophobicContact CG2-CB 4.11Å; L405-D409 HydrophobicContact CB-CB 4.35Å; T406-D409 VanDerWaalsContact CB-OD2 3.31Å; T406-D409 WeakPolarHBondContact CB-OD2 3.47Å; T406-D409 WeakPolarHBondContact CG2-OD2 3.3Å; T406-D409 PolarHBondContact N-OD2 2.91Å; T406-D409 PolarHBondContact O-N 2.82Å; T406-D409 PolarHBondContact OG1-N 3.08Å; T406-D409 VanDerWaalsContact OG1-N 3.08Å; T406-D409 PolarHBondContact OG1-OD2 3.39Å; A407-D409 VanDerWaalsContact C-N 3.33Å; A407-D409 PolarHBondContact O-N 2.86Å; D409-V413 WeakPolarHBondContact O-CG2 3.47Å
410	C	95.4	Very high	91.5	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-69.7	-44.3	179.4	-64.3	0	0	0	0	111.3	T406 A407 E408 N412 V413 Y414 F431	T406-C410 PolarHBondContact O-N 3.02Å; T406-C410 VanDerWaalsContact O-N 3.12Å; T406-C410 PolarHBondContact O-SG 2.97Å; A407-C410 WeakPolarHBondContact O-CB 3.39Å; A407-C410 PolarHBondContact O-N 2.97Å; A407-C410 VanDerWaalsContact O-N 3.09Å; E408-C410 VanDerWaalsContact C-N 3.34Å; E408-C410 PolarHBondContact O-N 3.37Å; C410-N412 PolarHBondContact O-N 2.93Å; C410-V413 CarbonylContact O-C 3.58Å; C410-V413 WeakPolarHBondContact O-CA 3.39Å; C410-V413 WeakPolarHBondContact O-CB 3.31Å; C410-V413 PolarHBondContact O-N 2.73Å; C410-Y414 HydrophobicContact CB-CE1 4.18Å; C410-Y414 HydrophobicContact CB-CE2 4.18Å; C410-Y414 VanDerWaalsContact O-CD1 3.29Å; C410-Y414 WeakPolarHBondContact O-CD1 3.1Å; C410-Y414 VanDerWaalsContact O-CG 3.27Å; C410-Y414 PolarHBondContact O-N 3.2Å; C410-F431 HydrophobicContact CB-CE1 4.22Å; C410-F431 HydrophobicContact CB-CZ 4.5Å
411	E	93.9	Very high	91.8	Very high	74 Å²	74	50.6 Å²	50.6	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-42.7	-178.4	-151.5	57.1	-116.3	0	0	111.9	A407 V413 Y414 H415	A407-E411 PolarHBondContact O-N 3.41Å; E411-V413 PolarHBondContact O-N 3.43Å; E411-V413 VanDerWaalsContact O-N 3.13Å; E411-Y414 WeakPolarHBondContact O-CB 3.07Å; E411-Y414 PolarHBondContact O-N 3.4Å; E411-Y414 WeakPolarHBondContact OE1-CD2 3.46Å; E411-Y414 WeakPolarHBondContact OE2-CD2 3.33Å; E411-H415 PolarHBondContact O-N 3.12Å
412	N	93.7	Very high	92.4	Very high	77 Å²	77	51.2 Å²	51.2	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-20.2	173	-78.8	-70.6	0	0	0	113.9	V376 E408 C410	V376-N412 HydrophobicContact CG1-CB 4.42Å; E408-N412 PolarHBondContact O-N 3.46Å; E408-N412 PolarHBondContact O-ND2 3.06Å; C410-N412 PolarHBondContact O-N 2.93Å
413	V	97.3	Very high	93.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-89.4	-37.9	170.6	-179.6	0	0	0	0	111	T379 I391 L394 D409 C410 E411 H415 L416 A428 F431	T379-V413 HydrophobicContact CG2-CG2 4.27Å; I391-V413 HydrophobicContact CG2-CG1 3.91Å; L394-V413 HydrophobicContact CD1-CG2 3.85Å; D409-V413 WeakPolarHBondContact O-CG2 3.47Å; C410-V413 CarbonylContact O-C 3.58Å; C410-V413 WeakPolarHBondContact O-CA 3.39Å; C410-V413 WeakPolarHBondContact O-CB 3.31Å; C410-V413 PolarHBondContact O-N 2.73Å; E411-V413 PolarHBondContact O-N 3.43Å; E411-V413 VanDerWaalsContact O-N 3.13Å; V413-H415 PolarHBondContact O-N 3.21Å; V413-L416 WeakPolarHBondContact O-CB 3.27Å; V413-L416 PolarHBondContact O-N 3.31Å; V413-L416 VanDerWaalsContact O-N 3.12Å; V413-A428 HydrophobicContact CG1-CB 4.37Å; V413-A428 WeakPolarHBondContact O-CB 3.27Å; V413-F431 HydrophobicContact CB-CD1 3.95Å; V413-F431 HydrophobicContact CB-CE1 3.95Å; V413-F431 HydrophobicContact CG1-CB 3.99Å; V413-F431 HydrophobicContact CG1-CD1 3.48Å; V413-F431 VanDerWaalsContact CG1-CD1 3.48Å; V413-F431 HydrophobicContact CG1-CD2 4.35Å; V413-F431 HydrophobicContact CG1-CE1 4Å; V413-F431 HydrophobicContact CG1-CG 3.69Å; V413-F431 HydrophobicContact CG2-CE1 4.46Å
414	Y	97.1	Very high	94.6	Very high	15 Å²	15	41.3 Å²	41.3	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-45.5	178.7	-66	-13.3	0	0	0	112.3	C410 E411 L416 V417 F431 L432 K435 L436 F467	C410-Y414 HydrophobicContact CB-CE1 4.18Å; C410-Y414 HydrophobicContact CB-CE2 4.18Å; C410-Y414 VanDerWaalsContact O-CD1 3.29Å; C410-Y414 WeakPolarHBondContact O-CD1 3.1Å; C410-Y414 VanDerWaalsContact O-CG 3.27Å; C410-Y414 PolarHBondContact O-N 3.2Å; E411-Y414 WeakPolarHBondContact O-CB 3.07Å; E411-Y414 PolarHBondContact O-N 3.4Å; E411-Y414 WeakPolarHBondContact OE1-CD2 3.46Å; E411-Y414 WeakPolarHBondContact OE2-CD2 3.33Å; Y414-L416 PolarHBondContact O-N 2.86Å; Y414-V417 WeakPolarHBondContact O-CG1 3.36Å; Y414-V417 VanDerWaalsContact O-CG2 3.25Å; Y414-V417 WeakPolarHBondContact O-CG2 3.43Å; Y414-V417 PolarHBondContact O-N 3.37Å; Y414-F431 HydrophobicContact CD1-CD1 4.15Å; Y414-F431 HydrophobicContact CD1-CE1 4.19Å; Y414-F431 AromaticContact CE1-CD1 3.97Å; Y414-F431 HydrophobicContact CE1-CD1 3.97Å; Y414-F431 AromaticContact CE1-CE1 3.79Å; Y414-F431 HydrophobicContact CE1-CE1 3.79Å; Y414-L432 HydrophobicContact CD1-CB 4.33Å; Y414-L432 HydrophobicContact CD1-CD1 3.73Å; Y414-L432 HydrophobicContact CE1-CD1 3.72Å; Y414-L432 HydrophobicContact CG-CD1 4.2Å; Y414-K435 HydrophobicContact CE1-CB 4.35Å; Y414-K435 HydrophobicContact CE1-CG 4.24Å; Y414-K435 WeakPolarHBondContact OH-CG 3.1Å; Y414-L436 HydrophobicContact CE2-CD1 4.44Å; Y414-F467 AromaticContact CD2-CE2 3.81Å; Y414-F467 HydrophobicContact CD2-CE2 3.81Å; Y414-F467 AromaticContact CG-CE2 3.83Å; Y414-F467 HydrophobicContact CG-CE2 3.83Å; Y414-F467 HydrophobicContact CG-CZ 4.41Å
415	H	93.4	Very high	95	Very high	72 Å²	72	39.8 Å²	39.8	33%	0.333	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-50.9	-28	175.8	-64.4	168.4	0	0	0	113.4	E411 V413 V417 Y418 L473	E411-H415 PolarHBondContact O-N 3.12Å; V413-H415 PolarHBondContact O-N 3.21Å; H415-V417 VanDerWaalsContact C-N 3.26Å; H415-V417 PolarHBondContact O-N 2.76Å; H415-Y418 WeakPolarHBondContact O-CD2 3.42Å; H415-Y418 PolarHBondContact O-N 2.79Å; H415-L473 HydrophobicContact CB-CD1 3.68Å
416	L	96.8	Very high	95.3	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.073	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-74.9	-10.7	-175.5	-52.1	177.4	0	0	0	113.7	T379 L380 I391 V413 Y414 Y418 S419 V424 A425 A428	T379-L416 VanDerWaalsContact CB-CD1 3.49Å; T379-L416 HydrophobicContact CG2-CD1 4.49Å; L380-L416 HydrophobicContact CD2-CD2 3.63Å; L380-L416 HydrophobicContact CG-CD2 4.33Å; I391-L416 HydrophobicContact CD1-CD1 3.8Å; I391-L416 HydrophobicContact CG1-CD1 4.23Å; V413-L416 WeakPolarHBondContact O-CB 3.27Å; V413-L416 PolarHBondContact O-N 3.31Å; V413-L416 VanDerWaalsContact O-N 3.12Å; Y414-L416 PolarHBondContact O-N 2.86Å; L416-Y418 PolarHBondContact O-N 3.49Å; L416-S419 WeakPolarHBondContact O-CB 3.28Å; L416-S419 PolarHBondContact O-N 2.76Å; L416-V424 HydrophobicContact CB-CG1 4.24Å; L416-A425 VanDerWaalsContact O-CA 3.27Å; L416-A425 WeakPolarHBondContact O-CA 3.45Å; L416-A425 WeakPolarHBondContact O-CB 3.4Å; L416-A428 HydrophobicContact CB-CB 3.83Å
417	V	97.7	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-62.3	-19.3	169.6	-56.3	0	0	0	0	112.5	Y414 H415 A428 L432 F467 L480 S483 R541	Y414-V417 WeakPolarHBondContact O-CG1 3.36Å; Y414-V417 VanDerWaalsContact O-CG2 3.25Å; Y414-V417 WeakPolarHBondContact O-CG2 3.43Å; Y414-V417 PolarHBondContact O-N 3.37Å; H415-V417 VanDerWaalsContact C-N 3.26Å; H415-V417 PolarHBondContact O-N 2.76Å; V417-A428 HydrophobicContact CG1-CB 3.83Å; V417-L432 HydrophobicContact CG1-CD2 4.06Å; V417-F467 HydrophobicContact CG2-CE1 4.14Å; V417-F467 HydrophobicContact CG2-CZ 4.32Å; V417-L480 HydrophobicContact CB-CD1 4.4Å; V417-L480 HydrophobicContact CG2-CD1 3.89Å; V417-S483 PolarHBondContact O-OG 2.78Å; V417-R541 PolarHBondContact O-NH2 3.46Å
418	Y	95.2	Very high	95.7	Very high	18 Å²	18	33.2 Å²	33.2	7%	0.071	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-91.1	-7.2	175.1	-58.3	-69.7	0	0	0	113.4	H415 L416 A420 S471 L473 H474 L480	H415-Y418 WeakPolarHBondContact O-CD2 3.42Å; H415-Y418 PolarHBondContact O-N 2.79Å; L416-Y418 PolarHBondContact O-N 3.49Å; Y418-A420 PolarHBondContact O-N 3.2Å; Y418-S471 VanDerWaalsContact OH-CB 3.3Å; Y418-S471 WeakPolarHBondContact OH-CB 3.31Å; Y418-S471 PolarHBondContact OH-OG 3.33Å; Y418-L473 HydrophobicContact CD2-CB 4.17Å; Y418-L473 HydrophobicContact CD2-CD1 4.14Å; Y418-L473 HydrophobicContact CE2-CB 4.46Å; Y418-H474 HydrophobicContact CD1-CB 3.89Å; Y418-H474 AromaticContact CD1-CD2 3.34Å; Y418-H474 WeakPolarHBondContact CD1-CD2 3.2Å; Y418-H474 AromaticContact CD1-CG 3.7Å; Y418-H474 HydrophobicContact CE1-CB 3.88Å; Y418-H474 AromaticContact CG-CD2 3.55Å; Y418-L480 HydrophobicContact CE1-CB 3.95Å
419	S	93	Very high	95.9	Very high	32 Å²	32	25.9 Å²	25.9	22%	0.224	14%	0.139	C	C	.	.			trans	-56	138	-178	-172.1	0	0	0	0	112.6	L416 H421 R541	L416-S419 WeakPolarHBondContact O-CB 3.28Å; L416-S419 PolarHBondContact O-N 2.76Å; S419-H421 PolarHBondContact O-N 3.4Å; S419-R541 VanDerWaalsContact O-CZ 3.26Å; S419-R541 PolarHBondContact O-NE 2.97Å; S419-R541 PolarHBondContact O-NH2 3.08Å
420	A	89.6	Confident	96	Very high	38 Å²	38	28.3 Å²	28.3	31%	0.314	15%	0.15	S	C	.	.	S	Bend	trans	-56	-38.7	177.8	0	0	0	0	0	112.5	Y418 R422 R541	Y418-A420 PolarHBondContact O-N 3.2Å; A420-R422 PolarHBondContact O-N 2.78Å; A420-R422 VanDerWaalsContact O-N 3.16Å; A420-R541 WeakPolarHBondContact O-CD 3.45Å; A420-R541 PolarHBondContact O-NE 3.46Å
421	H	92.5	Very high	96.1	Very high	43 Å²	43	28.1 Å²	28.1	20%	0.199	15%	0.149	C	C	.	.	S	Bend	trans	-80.9	97.9	-175.3	-175	-107.6	0	0	0	112.2	Y384 S419 P423 V424 A425	Y384-H421 WeakPolarHBondContact CB-CE1 3.18Å; Y384-H421 WeakPolarHBondContact CB-ND1 3.45Å; Y384-H421 HydrophobicContact CD1-CB 4.15Å; Y384-H421 AromaticContact CD1-ND1 4Å; Y384-H421 HydrophobicContact CD2-CB 4.22Å; Y384-H421 AromaticContact CD2-CD2 3.77Å; Y384-H421 AromaticContact CD2-CG 3.72Å; Y384-H421 AromaticContact CD2-ND1 3.9Å; Y384-H421 AromaticContact CD2-NE2 3.99Å; Y384-H421 HydrophobicContact CE1-CB 4.08Å; Y384-H421 HydrophobicContact CE2-CB 4.17Å; Y384-H421 HydrophobicContact CG-CB 4.23Å; Y384-H421 AromaticContact CG-CE1 3.84Å; Y384-H421 AromaticContact CG-CG 3.75Å; Y384-H421 AromaticContact CG-ND1 3.52Å; S419-H421 PolarHBondContact O-N 3.4Å; H421-P423 VanDerWaalsContact C-CD 3.42Å; H421-P423 VanDerWaalsContact C-N 3.34Å; H421-V424 WeakPolarHBondContact O-CB 3.38Å; H421-V424 PolarHBondContact O-N 3.03Å; H421-A425 PolarHBondContact O-N 3.37Å
422	R	95.7	Very high	96.2	Very high	47 Å²	47	24.6 Å²	24.6	18%	0.177	13%	0.132	C	C	.	.	H	α-helix	trans	-43.6	-44.2	-174.1	-166.2	177.1	-167.2	-89.3	-1.4	115.5	A420 V424 A425 V426 D482 D486 R541	A420-R422 PolarHBondContact O-N 2.78Å; A420-R422 VanDerWaalsContact O-N 3.16Å; R422-V424 VanDerWaalsContact C-N 3.28Å; R422-V424 PolarHBondContact O-N 3.02Å; R422-A425 PolarHBondContact O-N 2.96Å; R422-V426 HydrophobicContact CG-CG2 3.8Å; R422-V426 WeakPolarHBondContact O-CG2 3.32Å; R422-V426 PolarHBondContact O-N 3.22Å; R422-D482 WeakPolarHBondContact CD-OD2 3.43Å; R422-D482 IonicContact CZ-OD1 3.25Å; R422-D482 VanDerWaalsContact CZ-OD1 3.26Å; R422-D482 IonicContact CZ-OD2 3.9Å; R422-D482 VanDerWaalsContact NE-CG 3.27Å; R422-D482 IonicContact NE-OD1 2.72Å; R422-D482 PolarHBondContact NE-OD1 2.8Å; R422-D482 IonicContact NE-OD2 2.93Å; R422-D482 PolarHBondContact NE-OD2 3.37Å; R422-D482 PolarHBondContact NH2-O 3.31Å; R422-D482 VanDerWaalsContact NH2-O 3.17Å; R422-D482 IonicContact NH2-OD1 3.8Å; R422-D482 PolarHBondContact NH2-OD1 3.26Å; R422-D486 IonicContact CZ-OD1 2.72Å; R422-D486 IonicContact CZ-OD2 3.67Å; R422-D486 IonicContact NH1-OD1 3.27Å; R422-D486 PolarHBondContact NH1-OD1 2.83Å; R422-D486 IonicContact NH1-OD2 2.68Å; R422-D486 PolarHBondContact NH1-OD2 2.87Å; R422-D486 IonicContact NH2-OD1 2.71Å; R422-D486 PolarHBondContact NH2-OD1 3.09Å; R422-D486 IonicContact NH2-OD2 2.98Å; R422-R541 HydrophobicContact CB-CB 4.4Å; R422-R541 WeakPolarHBondContact CD-O 3.45Å
423	P	97.9	Very high	96.3	Very high	66 Å²	66	23.5 Å²	23.5	43%	0.429	12%	0.124	S	C	.	.	H	α-helix	trans	-58.9	-32.8	179.1	-27.1	36.2	0	0	0	115	V388 H421 A427	V388-P423 HydrophobicContact CG2-CB 3.86Å; V388-P423 WeakPolarHBondContact CG2-O 3.48Å; H421-P423 VanDerWaalsContact C-CD 3.42Å; H421-P423 VanDerWaalsContact C-N 3.34Å; P423-A427 WeakPolarHBondContact O-CB 3.41Å; P423-A427 PolarHBondContact O-N 3.41Å
424	V	98.3	Very high	96.1	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-72	-48	174.5	165.7	0	0	0	0	109.5	Y384 A387 V388 I391 L416 H421 R422 V426 A427 A428	Y384-V424 HydrophobicContact CD1-CG2 4.09Å; A387-V424 HydrophobicContact CB-CG2 3.98Å; V388-V424 HydrophobicContact CG2-CG2 3.77Å; I391-V424 HydrophobicContact CD1-CG1 3.82Å; L416-V424 HydrophobicContact CB-CG1 4.24Å; H421-V424 WeakPolarHBondContact O-CB 3.38Å; H421-V424 PolarHBondContact O-N 3.03Å; R422-V424 VanDerWaalsContact C-N 3.28Å; R422-V424 PolarHBondContact O-N 3.02Å; V424-V426 PolarHBondContact O-N 3.2Å; V424-A427 WeakPolarHBondContact O-CB 3.39Å; V424-A427 PolarHBondContact O-N 2.76Å; V424-A428 PolarHBondContact O-N 3.15Å
425	A	97.9	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-38.4	-175.4	0	0	0	0	0	113.5	L416 H421 R422 A428 G429 S483	L416-A425 VanDerWaalsContact O-CA 3.27Å; L416-A425 WeakPolarHBondContact O-CA 3.45Å; L416-A425 WeakPolarHBondContact O-CB 3.4Å; H421-A425 PolarHBondContact O-N 3.37Å; R422-A425 PolarHBondContact O-N 2.96Å; A425-A428 WeakPolarHBondContact O-CB 2.99Å; A425-A428 PolarHBondContact O-N 2.72Å; A425-G429 PolarHBondContact O-N 3.42Å; A425-S483 VanDerWaalsContact CB-OG 3.24Å; A425-S483 WeakPolarHBondContact CB-OG 3.17Å; A425-S483 WeakPolarHBondContact O-CB 3.38Å
426	V	98.4	Very high	95.8	Very high	25 Å²	25	26.7 Å²	26.7	15%	0.152	14%	0.14	C	C	.	.	H	α-helix	trans	-70	-32.1	173.5	173.7	0	0	0	0	112	R422 V424 A428 G429 E430 D486	R422-V426 HydrophobicContact CG-CG2 3.8Å; R422-V426 WeakPolarHBondContact O-CG2 3.32Å; R422-V426 PolarHBondContact O-N 3.22Å; V424-V426 PolarHBondContact O-N 3.2Å; V426-A428 VanDerWaalsContact C-N 3.34Å; V426-G429 PolarHBondContact O-N 2.71Å; V426-E430 PolarHBondContact O-N 2.82Å; V426-D486 HydrophobicContact CG1-CB 3.96Å
427	A	98.6	Very high	95.4	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-66.4	-38	171.4	0	0	0	0	0	111.5	V388 I391 K392 P423 V424 E430 F431	V388-A427 HydrophobicContact CG1-CB 4.47Å; I391-A427 HydrophobicContact CB-CB 4.1Å; I391-A427 HydrophobicContact CD1-CB 4.37Å; I391-A427 VanDerWaalsContact CG2-C 3.47Å; I391-A427 HydrophobicContact CG2-CB 3.93Å; I391-A427 VanDerWaalsContact CG2-O 3.32Å; I391-A427 WeakPolarHBondContact CG2-O 3.42Å; K392-A427 HydrophobicContact CG-CB 4.25Å; P423-A427 WeakPolarHBondContact O-CB 3.41Å; P423-A427 PolarHBondContact O-N 3.41Å; V424-A427 WeakPolarHBondContact O-CB 3.39Å; V424-A427 PolarHBondContact O-N 2.76Å; A427-E430 PolarHBondContact O-N 3.45Å; A427-F431 PolarHBondContact O-N 3.32Å; A427-F431 VanDerWaalsContact O-N 3.13Å
428	A	98.4	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-38.2	172.5	0	0	0	0	0	112.1	V413 L416 V417 V424 A425 V426 F431 L432	V413-A428 HydrophobicContact CG1-CB 4.37Å; V413-A428 WeakPolarHBondContact O-CB 3.27Å; L416-A428 HydrophobicContact CB-CB 3.83Å; V417-A428 HydrophobicContact CG1-CB 3.83Å; V424-A428 PolarHBondContact O-N 3.15Å; A425-A428 WeakPolarHBondContact O-CB 2.99Å; A425-A428 PolarHBondContact O-N 2.72Å; V426-A428 VanDerWaalsContact C-N 3.34Å; A428-F431 WeakPolarHBondContact O-CB 3.48Å; A428-F431 PolarHBondContact O-N 3.15Å; A428-L432 WeakPolarHBondContact O-CB 3.14Å; A428-L432 PolarHBondContact O-N 2.93Å
429	G	97.9	Very high	92.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-42.5	171.7	0	0	0	0	0	112.6	A425 V426 F431 L432 F433 M484	A425-G429 PolarHBondContact O-N 3.42Å; V426-G429 PolarHBondContact O-N 2.71Å; G429-F431 VanDerWaalsContact C-N 3.32Å; G429-F431 PolarHBondContact O-N 3.39Å; G429-L432 PolarHBondContact O-N 3.49Å; G429-F433 VanDerWaalsContact O-CB 3.23Å; G429-F433 WeakPolarHBondContact O-CB 3.47Å; G429-F433 PolarHBondContact O-N 3.28Å; G429-M484 VanDerWaalsContact O-SD 3.41Å
430	E	97.9	Very high	90.8	Very high	63 Å²	63	42.1 Å²	42.1	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-37.7	174.1	-161.1	-165.2	149.2	0	0	112.2	V426 A427 K434	V426-E430 PolarHBondContact O-N 2.82Å; A427-E430 PolarHBondContact O-N 3.45Å; E430-K434 HydrophobicContact CG-CD 4.39Å; E430-K434 WeakPolarHBondContact O-CB 3.32Å; E430-K434 WeakPolarHBondContact O-CD 3.38Å; E430-K434 WeakPolarHBondContact O-CG 3.26Å; E430-K434 PolarHBondContact O-N 3.13Å; E430-K434 WeakPolarHBondContact OE1-CE 3.23Å; E430-K434 IonicContact OE1-NZ 2.66Å; E430-K434 PolarHBondContact OE1-NZ 3.4Å
431	F	97.4	Very high	89.1	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-51.5	173.9	-179.5	-89.4	0	0	0	111.8	I391 L394 L398 L405 C410 V413 Y414 A427 A428 G429 F433 K434 K435	I391-F431 HydrophobicContact CG2-CB 4.27Å; L394-F431 HydrophobicContact CB-CD2 4.33Å; L394-F431 HydrophobicContact CB-CE2 4.05Å; L398-F431 HydrophobicContact CB-CE2 4.24Å; L398-F431 HydrophobicContact CD2-CD2 4.29Å; L398-F431 HydrophobicContact CD2-CE2 3.98Å; L398-F431 HydrophobicContact CD2-CZ 4.29Å; L405-F431 HydrophobicContact CD1-CE2 3.79Å; L405-F431 HydrophobicContact CD1-CZ 3.87Å; C410-F431 HydrophobicContact CB-CE1 4.22Å; C410-F431 HydrophobicContact CB-CZ 4.5Å; V413-F431 HydrophobicContact CB-CD1 3.95Å; V413-F431 HydrophobicContact CB-CE1 3.95Å; V413-F431 HydrophobicContact CG1-CB 3.99Å; V413-F431 HydrophobicContact CG1-CD1 3.48Å; V413-F431 VanDerWaalsContact CG1-CD1 3.48Å; V413-F431 HydrophobicContact CG1-CD2 4.35Å; V413-F431 HydrophobicContact CG1-CE1 4Å; V413-F431 HydrophobicContact CG1-CG 3.69Å; V413-F431 HydrophobicContact CG2-CE1 4.46Å; Y414-F431 HydrophobicContact CD1-CD1 4.15Å; Y414-F431 HydrophobicContact CD1-CE1 4.19Å; Y414-F431 AromaticContact CE1-CD1 3.97Å; Y414-F431 HydrophobicContact CE1-CD1 3.97Å; Y414-F431 AromaticContact CE1-CE1 3.79Å; Y414-F431 HydrophobicContact CE1-CE1 3.79Å; A427-F431 PolarHBondContact O-N 3.32Å; A427-F431 VanDerWaalsContact O-N 3.13Å; A428-F431 WeakPolarHBondContact O-CB 3.48Å; A428-F431 PolarHBondContact O-N 3.15Å; G429-F431 VanDerWaalsContact C-N 3.32Å; G429-F431 PolarHBondContact O-N 3.39Å; F431-F433 PolarHBondContact O-N 2.84Å; F431-K434 PolarHBondContact O-N 3.4Å; F431-K435 VanDerWaalsContact O-CB 3.31Å; F431-K435 WeakPolarHBondContact O-CB 3.47Å; F431-K435 PolarHBondContact O-N 2.83Å
432	L	96.5	Very high	87	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.1	-49.5	178	176	62.1	0	0	0	111.5	Y414 V417 A428 G429 K434 K435 L436 F437 F467 L480 M484	Y414-L432 HydrophobicContact CD1-CB 4.33Å; Y414-L432 HydrophobicContact CD1-CD1 3.73Å; Y414-L432 HydrophobicContact CE1-CD1 3.72Å; Y414-L432 HydrophobicContact CG-CD1 4.2Å; V417-L432 HydrophobicContact CG1-CD2 4.06Å; A428-L432 WeakPolarHBondContact O-CB 3.14Å; A428-L432 PolarHBondContact O-N 2.93Å; G429-L432 PolarHBondContact O-N 3.49Å; L432-K434 VanDerWaalsContact C-N 3.35Å; L432-K434 PolarHBondContact O-N 3.28Å; L432-K435 PolarHBondContact O-N 3.28Å; L432-K435 VanDerWaalsContact O-N 3.11Å; L432-L436 HydrophobicContact CD1-CD1 3.65Å; L432-L436 HydrophobicContact CD1-CG 4.23Å; L432-L436 PolarHBondContact O-N 2.86Å; L432-F437 HydrophobicContact CD1-CE2 4.26Å; L432-F437 HydrophobicContact CG-CE2 4.05Å; L432-F467 HydrophobicContact CD1-CD2 3.78Å; L432-F467 HydrophobicContact CD1-CE2 3.63Å; L432-F467 HydrophobicContact CD1-CG 4.33Å; L432-F467 HydrophobicContact CD1-CZ 4.07Å; L432-F467 HydrophobicContact CD2-CD1 3.96Å; L432-F467 HydrophobicContact CD2-CD2 4.43Å; L432-F467 HydrophobicContact CD2-CE1 3.6Å; L432-F467 HydrophobicContact CD2-CE2 4.11Å; L432-F467 HydrophobicContact CD2-CG 4.37Å; L432-F467 HydrophobicContact CD2-CZ 3.68Å; L432-L480 HydrophobicContact CD2-CD1 4.26Å; L432-M484 HydrophobicContact CB-SD 4.43Å; L432-M484 HydrophobicContact CD2-CE 4.4Å; L432-M484 HydrophobicContact CD2-SD 3.98Å; L432-M484 HydrophobicContact CG-CE 4.46Å; L432-M484 HydrophobicContact CG-SD 4.34Å
433	F	95.6	Very high	84.9	Confident	55 Å²	55	55.6 Å²	55.6	24%	0.241	28%	0.275	C	S	.	.	I	π-helix	trans	-56.3	-46.4	177	-174.4	-105.1	0	0	0	112	G429 F431 K435 F437 S438 M484 A488	G429-F433 VanDerWaalsContact O-CB 3.23Å; G429-F433 WeakPolarHBondContact O-CB 3.47Å; G429-F433 PolarHBondContact O-N 3.28Å; F431-F433 PolarHBondContact O-N 2.84Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 3.35Å; F433-F437 HydrophobicContact CD2-CB 3.61Å; F433-F437 HydrophobicContact CD2-CG 4.18Å; F433-F437 HydrophobicContact CE2-CB 3.84Å; F433-F437 HydrophobicContact CG-CB 4.33Å; F433-F437 CarbonylContact O-C 3.52Å; F433-F437 WeakPolarHBondContact O-CA 3.3Å; F433-F437 WeakPolarHBondContact O-CB 3.48Å; F433-F437 PolarHBondContact O-N 3.48Å; F433-S438 PolarHBondContact O-N 3.09Å; F433-M484 HydrophobicContact CB-CE 3.96Å; F433-M484 HydrophobicContact CB-SD 4.42Å; F433-M484 HydrophobicContact CD2-CE 4.01Å; F433-M484 HydrophobicContact CG-CE 4.49Å; F433-A488 HydrophobicContact CD2-CB 3.78Å; F433-A488 HydrophobicContact CE2-CB 3.8Å
434	K	93.3	Very high	82.8	Confident	47 Å²	47	57.6 Å²	57.6	20%	0.204	28%	0.279	C	S	.	.	I	π-helix	trans	-70.8	-25.9	177.7	-74.5	167.9	174.8	179.5	0	113.8	T395 E430 F431 L432 S438	T395-K434 HydrophobicContact CG2-CD 3.35Å; E430-K434 HydrophobicContact CG-CD 4.39Å; E430-K434 WeakPolarHBondContact O-CB 3.32Å; E430-K434 WeakPolarHBondContact O-CD 3.38Å; E430-K434 WeakPolarHBondContact O-CG 3.26Å; E430-K434 PolarHBondContact O-N 3.13Å; E430-K434 WeakPolarHBondContact OE1-CE 3.23Å; E430-K434 IonicContact OE1-NZ 2.66Å; E430-K434 PolarHBondContact OE1-NZ 3.4Å; F431-K434 PolarHBondContact O-N 3.4Å; L432-K434 VanDerWaalsContact C-N 3.35Å; L432-K434 PolarHBondContact O-N 3.28Å; K434-S438 WeakPolarHBondContact CA-OG 3.44Å; K434-S438 PolarHBondContact O-OG 3.05Å; K434-S438 VanDerWaalsContact O-OG 3.1Å
435	K	92.9	Very high	80.4	Confident	43 Å²	43	64 Å²	64	19%	0.187	31%	0.313	C	S	.	.	I	π-helix	trans	-85.7	-33.2	-176.4	-174	61.3	-165	72.5	0	113.7	L398 Y414 F431 L432 F433	L398-K435 HydrophobicContact CD1-CD 3.46Å; L398-K435 VanDerWaalsContact CD1-CD 3.46Å; L398-K435 HydrophobicContact CD2-CB 3.7Å; L398-K435 HydrophobicContact CD2-CD 3.69Å; L398-K435 HydrophobicContact CD2-CG 4.19Å; L398-K435 HydrophobicContact CG-CD 4.22Å; Y414-K435 HydrophobicContact CE1-CB 4.35Å; Y414-K435 HydrophobicContact CE1-CG 4.24Å; Y414-K435 WeakPolarHBondContact OH-CG 3.1Å; F431-K435 VanDerWaalsContact O-CB 3.31Å; F431-K435 WeakPolarHBondContact O-CB 3.47Å; F431-K435 PolarHBondContact O-N 2.83Å; L432-K435 PolarHBondContact O-N 3.28Å; L432-K435 VanDerWaalsContact O-N 3.11Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 3.35Å
436	L	90.4	Very high	77.9	Confident	64 Å²	64	67.4 Å²	67.4	34%	0.335	35%	0.348	S	S	.	.	I	π-helix	trans	-121	-28.7	-174.7	-58	-176.5	0	0	0	114.6	Y414 L432 T463 F467	Y414-L436 HydrophobicContact CE2-CD1 4.44Å; L432-L436 HydrophobicContact CD1-CD1 3.65Å; L432-L436 HydrophobicContact CD1-CG 4.23Å; L432-L436 PolarHBondContact O-N 2.86Å; L436-T463 HydrophobicContact CB-CG2 4.42Å; L436-F467 HydrophobicContact CD1-CD2 4.38Å
437	F	87.4	Confident	75.7	Confident	5 Å²	5	72 Å²	72	2%	0.022	37%	0.37	C	S	.	.	I	π-helix	trans	-108.9	-19.2	-167.3	-60.7	-98.6	0	0	0	114.9	L432 F433 L460 T463 L464 M484 L491	L432-F437 HydrophobicContact CD1-CE2 4.26Å; L432-F437 HydrophobicContact CG-CE2 4.05Å; F433-F437 HydrophobicContact CD2-CB 3.61Å; F433-F437 HydrophobicContact CD2-CG 4.18Å; F433-F437 HydrophobicContact CE2-CB 3.84Å; F433-F437 HydrophobicContact CG-CB 4.33Å; F433-F437 CarbonylContact O-C 3.52Å; F433-F437 WeakPolarHBondContact O-CA 3.3Å; F433-F437 WeakPolarHBondContact O-CB 3.48Å; F433-F437 PolarHBondContact O-N 3.48Å; F437-L460 HydrophobicContact CB-CD2 4.35Å; F437-L460 HydrophobicContact CD1-CB 4.27Å; F437-L460 HydrophobicContact CD1-CD2 4.19Å; F437-L460 WeakPolarHBondContact CE1-O 3.47Å; F437-T463 HydrophobicContact CE1-CG2 3.97Å; F437-T463 HydrophobicContact CE2-CG2 4.47Å; F437-T463 HydrophobicContact CZ-CG2 3.93Å; F437-L464 HydrophobicContact CE1-CB 3.95Å; F437-L464 HydrophobicContact CZ-CB 4.11Å; F437-L464 HydrophobicContact CZ-CD1 4.05Å; F437-M484 HydrophobicContact CD2-CE 4.13Å; F437-M484 HydrophobicContact CE2-CE 4.05Å; F437-M484 HydrophobicContact CZ-CE 4.47Å; F437-L491 HydrophobicContact CD1-CD2 3.99Å; F437-L491 HydrophobicContact CE1-CD2 4.3Å
438	S	72.6	Confident	73.2	Confident	69 Å²	69	80.1 Å²	80.1	48%	0.483	41%	0.409	S	S	.	.	S	Bend	trans	-88.6	4.7	-178.5	69.2	0	0	0	0	115.3	F433 K434 R440	F433-S438 PolarHBondContact O-N 3.09Å; K434-S438 WeakPolarHBondContact CA-OG 3.44Å; K434-S438 PolarHBondContact O-OG 3.05Å; K434-S438 VanDerWaalsContact O-OG 3.1Å; S438-R440 PolarHBondContact O-N 2.87Å
439	R	62.9	Low	70.8	Confident	156 Å²	156	90.1 Å²	90.1	59%	0.589	45%	0.453	S	S	*	.			trans	-89.4	94.4	172.6	-68.7	-175.5	179	-165.8	1.6	109.6	E402	E402-R439 IonicContact OE1-CZ 3.69Å; E402-R439 IonicContact OE1-NE 2.74Å; E402-R439 IonicContact OE1-NH2 2.72Å; E402-R439 PolarHBondContact OE1-NH2 3.47Å; E402-R439 IonicContact OE2-CZ 2.89Å; E402-R439 IonicContact OE2-NH2 2.55Å; E402-R439 PolarHBondContact OE2-NH2 2.91Å
440	R	55.2	Low	69.1	Low	158 Å²	158	96 Å²	96	60%	0.596	48%	0.475	S	S	*	.			trans	-87.3	136.1	162.7	-67.2	-173.6	-178	177.9	1.4	109.1	S438	S438-R440 PolarHBondContact O-N 2.87Å
441	D	52.9	Low	67.4	Low	119 Å²	119	101.4 Å²	101.4	64%	0.636	49%	0.493	S	S	*	.			trans	-73.6	133.2	171.1	-91.8	-50.9	0	0	0	110.1	E443 E444	D441-E443 PolarHBondContact O-N 2.82Å; D441-E444 PolarHBondContact O-N 3.47Å; D441-E444 VanDerWaalsContact O-N 3.1Å
442	P	48.8	Very low	66.1	Low	114 Å²	114	101.7 Å²	101.7	74%	0.74	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.5	-179.2	-26	35.3	0	0	0	115.4
443	E	51.4	Low	65.1	Low	178 Å²	178	102.6 Å²	102.6	83%	0.832	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.6	178.2	-56	-164.2	161.3	0	0	113	D441	D441-E443 PolarHBondContact O-N 2.82Å
444	E	53	Low	63.9	Low	108 Å²	108	104.1 Å²	104.1	51%	0.505	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-79.5	-31.7	-177.1	-66.4	-160.2	124.2	0	0	114.3	D441 G446 M447	D441-E444 PolarHBondContact O-N 3.47Å; D441-E444 VanDerWaalsContact O-N 3.1Å; E444-G446 PolarHBondContact O-N 3.12Å; E444-M447 PolarHBondContact O-N 2.95Å
445	D	47.9	Very low	63	Low	137 Å²	137	102.2 Å²	102.2	73%	0.733	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-61.8	-12.7	-178.2	-89.8	-17.4	0	0	0	113.4
446	G	47.3	Very low	62.3	Low	73 Å²	73	104.1 Å²	104.1	75%	0.753	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-85.8	-10.5	173.9	0	0	0	0	0	115.4	E444	E444-G446 PolarHBondContact O-N 3.12Å
447	M	50.7	Low	62.2	Low	121 Å²	121	102.4 Å²	102.4	60%	0.596	51%	0.509	S	S	*	.	S	Bend	trans	-85.3	141.3	-175.5	-75.3	-147.2	176.1	0	0	114.2	E444 R450	E444-M447 PolarHBondContact O-N 2.95Å; M447-R450 PolarHBondContact SD-NH1 2.84Å
448	M	46.5	Very low	62.2	Low	173 Å²	173	102.7 Å²	102.7	85%	0.852	51%	0.511	S	S	*	.			trans	-57.5	144.8	176.9	-162.3	165.2	172.9	0	0	111.2	R450	M448-R450 VanDerWaalsContact C-N 3.31Å; M448-R450 WeakPolarHBondContact O-CG 3.2Å; M448-R450 PolarHBondContact O-N 3.42Å
449	K	48.8	Very low	63	Low	209 Å²	209	104.7 Å²	104.7	91%	0.909	52%	0.517	S	S	*	.			trans	-58.8	81.3	-173.7	-69.2	-174.8	177.6	-177.8	0	114.1
450	R	62.3	Low	64.4	Low	124 Å²	124	98.7 Å²	98.7	47%	0.468	50%	0.496	S	S	.	.			trans	-72.2	156	170	-72	157.9	170.3	-164.7	2.9	110.5	M447 M448 Q454	M447-R450 PolarHBondContact SD-NH1 2.84Å; M448-R450 VanDerWaalsContact C-N 3.31Å; M448-R450 WeakPolarHBondContact O-CG 3.2Å; M448-R450 PolarHBondContact O-N 3.42Å; R450-Q454 HydrophobicContact CB-CB 3.76Å; R450-Q454 WeakPolarHBondContact CB-O 3.24Å; R450-Q454 HydrophobicContact CG-CB 4.02Å
451	R	61.5	Low	66.2	Low	177 Å²	177	91.6 Å²	91.6	67%	0.668	47%	0.47	S	S	*	.			trans	-135.6	175.5	179.1	-62.8	-158.4	-174.9	-165.1	0.2	110.2	R453 Q454 E496	R451-R453 PolarHBondContact O-N 3.26Å; R451-Q454 PolarHBondContact O-N 2.83Å; R451-E496 WeakPolarHBondContact CD-OE1 3.44Å; R451-E496 IonicContact CZ-OE1 2.72Å; R451-E496 IonicContact NE-OE1 3.63Å; R451-E496 IonicContact NH1-OE1 3.67Å; R451-E496 PolarHBondContact NH1-OE1 3.04Å; R451-E496 VanDerWaalsContact NH1-OE1 3.09Å; R451-E496 IonicContact NH1-OE2 3.13Å; R451-E496 PolarHBondContact NH1-OE2 3.24Å
452	G	70.9	Confident	68.1	Low	5 Å²	5	87.4 Å²	87.4	5%	0.052	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	59.2	-133.9	178.3	0	0	0	0	0	111.4	Q454 G455 C497 S500	G452-Q454 PolarHBondContact O-N 3.16Å; G452-Q454 VanDerWaalsContact O-N 3.13Å; G452-G455 PolarHBondContact O-N 2.74Å; G452-C497 PolarHBondContact O-SG 3.36Å; G452-S500 WeakPolarHBondContact CA-OG 3.41Å
453	R	75.3	Confident	70.3	Confident	19 Å²	19	83.7 Å²	83.7	7%	0.072	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-61.6	-21.9	-178.5	-170.9	171.2	-172.3	110.5	17.5	113.7	R451 A458 L501 E504 E510	R451-R453 PolarHBondContact O-N 3.26Å; R453-A458 WeakPolarHBondContact O-CB 3.28Å; R453-L501 HydrophobicContact CG-CD2 4.15Å; R453-L501 PolarHBondContact NH1-O 3.12Å; R453-L501 VanDerWaalsContact NH1-O 3.16Å; R453-E504 HydrophobicContact CB-CB 4.4Å; R453-E504 WeakPolarHBondContact CB-OE2 3.49Å; R453-E504 PolarHBondContact N-OE2 3.24Å; R453-E504 PolarHBondContact NH1-O 2.68Å; R453-E510 IonicContact CZ-OE1 3.26Å; R453-E510 IonicContact CZ-OE2 3.97Å; R453-E510 IonicContact NE-OE1 2.76Å; R453-E510 PolarHBondContact NE-OE1 3.3Å; R453-E510 IonicContact NE-OE2 2.86Å; R453-E510 PolarHBondContact NE-OE2 3.09Å; R453-E510 IonicContact NH2-OE1 2.79Å; R453-E510 PolarHBondContact NH2-OE1 2.66Å; R453-E510 IonicContact NH2-OE2 3.63Å
454	Q	70.8	Confident	72.5	Confident	87 Å²	87	75.6 Å²	75.6	41%	0.407	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-96.7	3.4	178.2	-66.3	-172.7	16.5	0	0	114.2	R450 R451 G452 L507	R450-Q454 HydrophobicContact CB-CB 3.76Å; R450-Q454 WeakPolarHBondContact CB-O 3.24Å; R450-Q454 HydrophobicContact CG-CB 4.02Å; R451-Q454 PolarHBondContact O-N 2.83Å; G452-Q454 PolarHBondContact O-N 3.16Å; G452-Q454 VanDerWaalsContact O-N 3.13Å; Q454-L507 HydrophobicContact CG-CD1 3.69Å
455	G	73.3	Confident	74.5	Confident	8 Å²	8	70.6 Å²	70.6	8%	0.082	36%	0.361	C	S	.	.	S	Bend	trans	-69.2	154.8	-179.7	0	0	0	0	0	113.2	G452 N457 A458	G452-G455 PolarHBondContact O-N 2.74Å; G455-N457 PolarHBondContact O-N 3.08Å; G455-N457 VanDerWaalsContact O-N 3.12Å; G455-A458 VanDerWaalsContact O-CB 3.24Å; G455-A458 WeakPolarHBondContact O-CB 3.29Å; G455-A458 PolarHBondContact O-N 2.71Å
456	P	79.4	Confident	76.8	Confident	82 Å²	82	68.3 Å²	68.3	53%	0.532	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.1	-178.1	27.8	-36.3	0	0	0	113.5
457	N	87.2	Confident	79.2	Confident	29 Å²	29	65.3 Å²	65.3	16%	0.155	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.8	175.7	-69.9	-26.5	0	0	0	113.3	G455 N459 L460 V461 L491 D494	G455-N457 PolarHBondContact O-N 3.08Å; G455-N457 VanDerWaalsContact O-N 3.12Å; N457-N459 PolarHBondContact O-N 3.27Å; N457-L460 WeakPolarHBondContact O-CB 3.42Å; N457-L460 PolarHBondContact O-N 3.33Å; N457-V461 WeakPolarHBondContact O-CG2 3.29Å; N457-V461 PolarHBondContact O-N 3.43Å; N457-L491 HydrophobicContact CB-CD1 3.79Å; N457-D494 WeakPolarHBondContact CB-OD2 3.25Å; N457-D494 PolarHBondContact ND2-OD2 3.12Å
458	A	88.2	Confident	81.4	Confident	10 Å²	10	60.3 Å²	60.3	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-40	-169.3	0	0	0	0	0	113.3	R453 G455 K462 C497 L501	R453-A458 WeakPolarHBondContact O-CB 3.28Å; G455-A458 VanDerWaalsContact O-CB 3.24Å; G455-A458 WeakPolarHBondContact O-CB 3.29Å; G455-A458 PolarHBondContact O-N 2.71Å; A458-K462 PolarHBondContact O-N 2.87Å; A458-C497 WeakPolarHBondContact CA-SG 3.25Å; A458-L501 HydrophobicContact CB-CD1 4.44Å
459	N	88.1	Confident	83.7	Confident	112 Å²	112	53.4 Å²	53.4	60%	0.599	25%	0.253	S	S	*	.	H	α-helix	trans	-70.5	-38.4	175.8	-162.3	41.7	0	0	0	111.7	N457 V461 K462 T463	N457-N459 PolarHBondContact O-N 3.27Å; N459-V461 VanDerWaalsContact C-N 3.35Å; N459-V461 PolarHBondContact O-N 3.12Å; N459-K462 WeakPolarHBondContact O-CB 3.41Å; N459-K462 PolarHBondContact O-N 2.7Å; N459-K462 VanDerWaalsContact O-N 3.15Å; N459-T463 PolarHBondContact O-N 3.1Å; N459-T463 PolarHBondContact O-OG1 3.07Å; N459-T463 VanDerWaalsContact O-OG1 3.06Å
460	L	92.3	Very high	85.8	Confident	30 Å²	30	50.5 Å²	50.5	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-36.5	176.6	-60.4	178.4	0	0	0	112.2	F437 N457 T463 L464 L491	F437-L460 HydrophobicContact CB-CD2 4.35Å; F437-L460 HydrophobicContact CD1-CB 4.27Å; F437-L460 HydrophobicContact CD1-CD2 4.19Å; F437-L460 WeakPolarHBondContact CE1-O 3.47Å; N457-L460 WeakPolarHBondContact O-CB 3.42Å; N457-L460 PolarHBondContact O-N 3.33Å; L460-T463 PolarHBondContact O-N 3.13Å; L460-L464 PolarHBondContact O-N 3.32Å; L460-L491 HydrophobicContact CB-CD1 3.77Å; L460-L491 HydrophobicContact CB-CD2 3.93Å
461	V	94.4	Very high	87	Confident	8 Å²	8	45 Å²	45	5%	0.048	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-46.6	170.7	171.6	0	0	0	0	110.2	N457 N459 T463 L464 V465 L491 M498 L501 L521	N457-V461 WeakPolarHBondContact O-CG2 3.29Å; N457-V461 PolarHBondContact O-N 3.43Å; N459-V461 VanDerWaalsContact C-N 3.35Å; N459-V461 PolarHBondContact O-N 3.12Å; V461-T463 PolarHBondContact O-N 2.98Å; V461-L464 PolarHBondContact O-N 3.03Å; V461-V465 WeakPolarHBondContact O-CG2 3.39Å; V461-V465 PolarHBondContact O-N 3.2Å; V461-V465 VanDerWaalsContact O-N 3.09Å; V461-L491 HydrophobicContact CG2-CD1 3.7Å; V461-M498 HydrophobicContact CG1-CG 4.01Å; V461-M498 HydrophobicContact CG2-CG 4.22Å; V461-L501 HydrophobicContact CB-CD1 3.97Å; V461-L501 HydrophobicContact CG1-CD1 3.7Å; V461-L521 HydrophobicContact CG1-CD1 3.45Å; V461-L521 VanDerWaalsContact CG1-CD1 3.45Å
462	K	93.2	Very high	88.2	Confident	32 Å²	32	44 Å²	44	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-43.7	174.3	-68	-172.7	-174.9	-175.7	0	111.6	A458 N459 L464 V465 F466 E510 E511 L513	A458-K462 PolarHBondContact O-N 2.87Å; N459-K462 WeakPolarHBondContact O-CB 3.41Å; N459-K462 PolarHBondContact O-N 2.7Å; N459-K462 VanDerWaalsContact O-N 3.15Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 2.59Å; K462-V465 WeakPolarHBondContact O-CB 3.09Å; K462-V465 PolarHBondContact O-N 3.26Å; K462-V465 VanDerWaalsContact O-N 3.13Å; K462-F466 HydrophobicContact CB-CD2 4.38Å; K462-F466 HydrophobicContact CB-CE2 4.19Å; K462-F466 WeakPolarHBondContact O-CD2 3.42Å; K462-F466 PolarHBondContact O-N 3.01Å; K462-E510 IonicContact NZ-OE1 3.53Å; K462-E510 PolarHBondContact NZ-OE1 3.28Å; K462-E511 PolarHBondContact NZ-O 3.21Å; K462-L513 HydrophobicContact CD-CD2 4.24Å; K462-L513 HydrophobicContact CG-CD2 4.16Å
463	T	94.3	Very high	88.8	Confident	36 Å²	36	48.2 Å²	48.2	22%	0.221	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-38	176.2	-53.7	0	0	0	0	112.6	L436 F437 N459 L460 V461 F467	L436-T463 HydrophobicContact CB-CG2 4.42Å; F437-T463 HydrophobicContact CE1-CG2 3.97Å; F437-T463 HydrophobicContact CE2-CG2 4.47Å; F437-T463 HydrophobicContact CZ-CG2 3.93Å; N459-T463 PolarHBondContact O-N 3.1Å; N459-T463 PolarHBondContact O-OG1 3.07Å; N459-T463 VanDerWaalsContact O-OG1 3.06Å; L460-T463 PolarHBondContact O-N 3.13Å; V461-T463 PolarHBondContact O-N 2.98Å; T463-F467 WeakPolarHBondContact O-CB 3.25Å; T463-F467 PolarHBondContact O-N 3.48Å
464	L	96.6	Very high	89.3	Confident	8 Å²	8	50 Å²	50	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-68.2	-38.3	175.4	-172.4	62.6	0	0	0	112.3	F437 L460 V461 K462 F468 L480 L492 I524	F437-L464 HydrophobicContact CE1-CB 3.95Å; F437-L464 HydrophobicContact CZ-CB 4.11Å; F437-L464 HydrophobicContact CZ-CD1 4.05Å; L460-L464 PolarHBondContact O-N 3.32Å; V461-L464 PolarHBondContact O-N 3.03Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 2.59Å; L464-F468 WeakPolarHBondContact O-CB 3.49Å; L464-F468 PolarHBondContact O-N 3.06Å; L464-L480 HydrophobicContact CD1-CD1 4.3Å; L464-L480 HydrophobicContact CD1-CD2 4.01Å; L464-L480 HydrophobicContact CD1-CG 4.23Å; L464-L492 HydrophobicContact CD2-CD2 3.69Å; L464-I524 HydrophobicContact CD2-CG2 3.99Å; L464-I524 HydrophobicContact CG-CD1 4.28Å
465	V	96.8	Very high	90.1	Very high	3 Å²	3	55 Å²	55	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-45.4	174	171.5	0	0	0	0	111.4	V461 K462 F468 L469 Q517 A520 L521 I524	V461-V465 WeakPolarHBondContact O-CG2 3.39Å; V461-V465 PolarHBondContact O-N 3.2Å; V461-V465 VanDerWaalsContact O-N 3.09Å; K462-V465 WeakPolarHBondContact O-CB 3.09Å; K462-V465 PolarHBondContact O-N 3.26Å; K462-V465 VanDerWaalsContact O-N 3.13Å; V465-F468 PolarHBondContact O-N 3.24Å; V465-L469 HydrophobicContact CG1-CD1 4.11Å; V465-L469 WeakPolarHBondContact O-CG 2.62Å; V465-L469 PolarHBondContact O-N 3.41Å; V465-L469 VanDerWaalsContact O-N 3.09Å; V465-Q517 HydrophobicContact CG1-CB 3.82Å; V465-Q517 HydrophobicContact CG1-CG 3.97Å; V465-A520 HydrophobicContact CG1-CB 3.89Å; V465-L521 HydrophobicContact CG2-CB 3.89Å; V465-L521 HydrophobicContact CG2-CD1 4.01Å; V465-L521 HydrophobicContact CG2-CG 4.47Å; V465-I524 HydrophobicContact CG2-CD1 3.91Å
466	F	95.6	Very high	90.9	Very high	88 Å²	88	58 Å²	58	39%	0.386	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-50.9	174.5	-76.1	-67.5	0	0	0	111.2	K462 F468 L469 E470	K462-F466 HydrophobicContact CB-CD2 4.38Å; K462-F466 HydrophobicContact CB-CE2 4.19Å; K462-F466 WeakPolarHBondContact O-CD2 3.42Å; K462-F466 PolarHBondContact O-N 3.01Å; F466-F468 VanDerWaalsContact C-N 3.32Å; F466-F468 PolarHBondContact O-N 3.19Å; F466-L469 PolarHBondContact O-N 3.19Å; F466-L469 VanDerWaalsContact O-N 3.11Å; F466-E470 WeakPolarHBondContact O-CB 3.41Å; F466-E470 WeakPolarHBondContact O-CG 3.16Å; F466-E470 PolarHBondContact O-N 3.4Å
467	F	96.6	Very high	91.7	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.048	27%	0.265	C	S	.	.	H	α-helix	trans	-56.2	-43.6	179.2	175.6	-93.5	0	0	0	113	Y414 V417 L432 L436 T463 S471 L480	Y414-F467 AromaticContact CD2-CE2 3.81Å; Y414-F467 HydrophobicContact CD2-CE2 3.81Å; Y414-F467 AromaticContact CG-CE2 3.83Å; Y414-F467 HydrophobicContact CG-CE2 3.83Å; Y414-F467 HydrophobicContact CG-CZ 4.41Å; V417-F467 HydrophobicContact CG2-CE1 4.14Å; V417-F467 HydrophobicContact CG2-CZ 4.32Å; L432-F467 HydrophobicContact CD1-CD2 3.78Å; L432-F467 HydrophobicContact CD1-CE2 3.63Å; L432-F467 HydrophobicContact CD1-CG 4.33Å; L432-F467 HydrophobicContact CD1-CZ 4.07Å; L432-F467 HydrophobicContact CD2-CD1 3.96Å; L432-F467 HydrophobicContact CD2-CD2 4.43Å; L432-F467 HydrophobicContact CD2-CE1 3.6Å; L432-F467 HydrophobicContact CD2-CE2 4.11Å; L432-F467 HydrophobicContact CD2-CG 4.37Å; L432-F467 HydrophobicContact CD2-CZ 3.68Å; L436-F467 HydrophobicContact CD1-CD2 4.38Å; T463-F467 WeakPolarHBondContact O-CB 3.25Å; T463-F467 PolarHBondContact O-N 3.48Å; F467-S471 WeakPolarHBondContact O-CB 3.33Å; F467-S471 PolarHBondContact O-N 3.28Å; F467-S471 PolarHBondContact O-OG 3.16Å; F467-L480 HydrophobicContact CD1-CD1 4.01Å; F467-L480 HydrophobicContact CD1-CD2 3.97Å; F467-L480 HydrophobicContact CE1-CD1 3.72Å; F467-L480 HydrophobicContact CE1-CD2 4.24Å
468	F	96.8	Very high	92.2	Very high	16 Å²	16	53.1 Å²	53.1	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-45.2	176.5	175.8	-121.7	0	0	0	111.8	L464 V465 F466 S471 A477 L480 A520 E523 I524	L464-F468 WeakPolarHBondContact O-CB 3.49Å; L464-F468 PolarHBondContact O-N 3.06Å; V465-F468 PolarHBondContact O-N 3.24Å; F466-F468 VanDerWaalsContact C-N 3.32Å; F466-F468 PolarHBondContact O-N 3.19Å; F468-S471 WeakPolarHBondContact O-CB 3.3Å; F468-S471 PolarHBondContact O-N 3.29Å; F468-A477 HydrophobicContact CD2-CB 4.45Å; F468-A477 HydrophobicContact CE1-CB 4.47Å; F468-A477 HydrophobicContact CE2-CB 4.19Å; F468-A477 HydrophobicContact CZ-CB 4.2Å; F468-L480 HydrophobicContact CB-CD2 3.78Å; F468-L480 HydrophobicContact CD2-CD2 4.04Å; F468-L480 HydrophobicContact CG-CD2 4.26Å; F468-A520 HydrophobicContact CD1-CB 3.82Å; F468-A520 HydrophobicContact CE1-CB 4.13Å; F468-E523 HydrophobicContact CE1-CG 4.47Å; F468-I524 HydrophobicContact CB-CD1 4.16Å; F468-I524 HydrophobicContact CD1-CD1 4.24Å; F468-I524 HydrophobicContact CG-CD1 4.41Å
469	L	95.1	Very high	92.6	Very high	28 Å²	28	54.1 Å²	54.1	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-71.1	-28.9	-180	-70.3	179.3	0	0	0	114.4	V465 F466 R516 Q517 A520	V465-L469 HydrophobicContact CG1-CD1 4.11Å; V465-L469 WeakPolarHBondContact O-CG 2.62Å; V465-L469 PolarHBondContact O-N 3.41Å; V465-L469 VanDerWaalsContact O-N 3.09Å; F466-L469 PolarHBondContact O-N 3.19Å; F466-L469 VanDerWaalsContact O-N 3.11Å; L469-R516 HydrophobicContact CD1-CG 4.13Å; L469-R516 HydrophobicContact CD2-CG 3.77Å; L469-Q517 HydrophobicContact CD1-CB 4.47Å; L469-Q517 HydrophobicContact CD1-CG 3.8Å; L469-A520 HydrophobicContact CD1-CB 4.08Å; L469-A520 HydrophobicContact CD2-CB 3.81Å; L469-A520 HydrophobicContact CG-CB 3.87Å
470	E	93.9	Very high	93	Very high	148 Å²	148	48.8 Å²	48.8	69%	0.692	23%	0.234	S	C	*	.	H	α-helix	trans	-82.5	-17.4	175.9	-70.3	176.2	159.1	0	0	112.7	F466	F466-E470 WeakPolarHBondContact O-CB 3.41Å; F466-E470 WeakPolarHBondContact O-CG 3.16Å; F466-E470 PolarHBondContact O-N 3.4Å
471	S	87.6	Confident	93.3	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-36.6	-178.4	-68.2	0	0	0	0	113.7	Y418 F467 F468 L473	Y418-S471 VanDerWaalsContact OH-CB 3.3Å; Y418-S471 WeakPolarHBondContact OH-CB 3.31Å; Y418-S471 PolarHBondContact OH-OG 3.33Å; F467-S471 WeakPolarHBondContact O-CB 3.33Å; F467-S471 PolarHBondContact O-N 3.28Å; F467-S471 PolarHBondContact O-OG 3.16Å; F468-S471 WeakPolarHBondContact O-CB 3.3Å; F468-S471 PolarHBondContact O-N 3.29Å; S471-L473 WeakPolarHBondContact O-CG 3.39Å; S471-L473 PolarHBondContact O-N 3Å
472	E	86.6	Confident	93.5	Very high	155 Å²	155	47 Å²	47	72%	0.724	23%	0.225	S	C	*	.			trans	47.7	7.9	-175.7	-55.5	-161.5	144	0	0	117.4	R516	E472-R516 IonicContact OE1-NH2 2.7Å
473	L	82.6	Confident	93.7	Very high	93 Å²	93	45.5 Å²	45.5	49%	0.487	22%	0.218	S	C	.	.	S	Bend	trans	-90.6	-15.3	179.7	-74.1	174.4	0	0	0	115.2	H415 Y418 S471	H415-L473 HydrophobicContact CB-CD1 3.68Å; Y418-L473 HydrophobicContact CD2-CB 4.17Å; Y418-L473 HydrophobicContact CD2-CD1 4.14Å; Y418-L473 HydrophobicContact CE2-CB 4.46Å; S471-L473 WeakPolarHBondContact O-CG 3.39Å; S471-L473 PolarHBondContact O-N 3Å
474	H	85.6	Confident	93.9	Very high	57 Å²	57	43.9 Å²	43.9	26%	0.264	21%	0.208	S	C	.	.			trans	-148.8	139.3	-179	-94.5	-97	0	0	0	110.6	Y418 H476 Y479	Y418-H474 HydrophobicContact CD1-CB 3.89Å; Y418-H474 AromaticContact CD1-CD2 3.34Å; Y418-H474 WeakPolarHBondContact CD1-CD2 3.2Å; Y418-H474 AromaticContact CD1-CG 3.7Å; Y418-H474 HydrophobicContact CE1-CB 3.88Å; Y418-H474 AromaticContact CG-CD2 3.55Å; H474-H476 AromaticContact CE1-NE2 3.99Å; H474-H476 AromaticContact ND1-CD2 3.79Å; H474-H476 AromaticContact ND1-NE2 3.4Å; H474-H476 PolarHBondContact ND1-NE2 2.72Å; H474-Y479 AromaticContact CE1-CD2 3.41Å; H474-Y479 VanDerWaalsContact CE1-CD2 3.41Å; H474-Y479 WeakPolarHBondContact CE1-CD2 3.43Å; H474-Y479 AromaticContact CE1-CE2 3.75Å; H474-Y479 AromaticContact ND1-CD2 3.77Å
475	E	87.4	Confident	94	Very high	191 Å²	191	45.3 Å²	45.3	89%	0.893	21%	0.213	S	C	*	.	S	Bend	trans	-84.3	-12.9	177.4	-56.7	-174.8	141.3	0	0	113.1
476	H	91.9	Very high	93.9	Very high	72 Å²	72	49.7 Å²	49.7	33%	0.333	24%	0.236	S	C	.	.	S	Bend	trans	-132.3	148.4	-176.6	74.8	99.5	0	0	0	112	H474 A478 Y479	H474-H476 AromaticContact CE1-NE2 3.99Å; H474-H476 AromaticContact ND1-CD2 3.79Å; H474-H476 AromaticContact ND1-NE2 3.4Å; H474-H476 PolarHBondContact ND1-NE2 2.72Å; H476-A478 PolarHBondContact O-N 2.71Å; H476-Y479 AromaticContact CE1-CD2 3.49Å; H476-Y479 VanDerWaalsContact CE1-CD2 3.49Å; H476-Y479 WeakPolarHBondContact CE1-CD2 3.42Å; H476-Y479 AromaticContact CE1-CE2 3.38Å; H476-Y479 WeakPolarHBondContact CE1-CE2 3.48Å; H476-Y479 AromaticContact NE2-CD2 3.74Å; H476-Y479 AromaticContact NE2-CE2 3.55Å
477	A	96.3	Very high	93.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-87.2	-5.5	-166.8	0	0	0	0	0	114.7	F468 Y479 L480 V481 E523 I524	F468-A477 HydrophobicContact CD2-CB 4.45Å; F468-A477 HydrophobicContact CE1-CB 4.47Å; F468-A477 HydrophobicContact CE2-CB 4.19Å; F468-A477 HydrophobicContact CZ-CB 4.2Å; A477-Y479 VanDerWaalsContact C-N 3.33Å; A477-Y479 PolarHBondContact O-N 3.23Å; A477-L480 WeakPolarHBondContact O-CB 3.45Å; A477-L480 PolarHBondContact O-N 3.26Å; A477-V481 HydrophobicContact CB-CG2 4.36Å; A477-V481 PolarHBondContact O-N 2.87Å; A477-E523 HydrophobicContact CB-CG 3.83Å; A477-E523 PolarHBondContact N-OE1 2.98Å; A477-I524 HydrophobicContact CB-CB 4.4Å; A477-I524 HydrophobicContact CB-CG1 3.59Å
478	A	96.2	Very high	93.8	Very high	8 Å²	8	47 Å²	47	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-42.3	-168.6	0	0	0	0	0	114.3	H476 D482 C527 P538	H476-A478 PolarHBondContact O-N 2.71Å; A478-D482 PolarHBondContact O-N 3.46Å; A478-D482 VanDerWaalsContact O-N 3.08Å; A478-C527 WeakPolarHBondContact CA-SG 3.23Å; A478-C527 PolarHBondContact N-SG 3.46Å; A478-P538 HydrophobicContact CB-CB 4.4Å
479	Y	96	Very high	93.7	Very high	32 Å²	32	48.9 Å²	48.9	13%	0.125	24%	0.242	C	C	.	.	H	α-helix	trans	-75.6	-31.3	-179.9	-63.6	-65.5	0	0	0	113.1	H474 H476 A477 S483 P538 V539 R541	H474-Y479 AromaticContact CE1-CD2 3.41Å; H474-Y479 VanDerWaalsContact CE1-CD2 3.41Å; H474-Y479 WeakPolarHBondContact CE1-CD2 3.43Å; H474-Y479 AromaticContact CE1-CE2 3.75Å; H474-Y479 AromaticContact ND1-CD2 3.77Å; H476-Y479 AromaticContact CE1-CD2 3.49Å; H476-Y479 VanDerWaalsContact CE1-CD2 3.49Å; H476-Y479 WeakPolarHBondContact CE1-CD2 3.42Å; H476-Y479 AromaticContact CE1-CE2 3.38Å; H476-Y479 WeakPolarHBondContact CE1-CE2 3.48Å; H476-Y479 AromaticContact NE2-CD2 3.74Å; H476-Y479 AromaticContact NE2-CE2 3.55Å; A477-Y479 VanDerWaalsContact C-N 3.33Å; A477-Y479 PolarHBondContact O-N 3.23Å; Y479-S483 WeakPolarHBondContact O-CB 3.21Å; Y479-S483 PolarHBondContact O-N 3.41Å; Y479-S483 VanDerWaalsContact O-N 3.13Å; Y479-S483 PolarHBondContact O-OG 3.17Å; Y479-P538 HydrophobicContact CD1-CG 3.91Å; Y479-P538 HydrophobicContact CE1-CB 4.27Å; Y479-P538 HydrophobicContact CE1-CG 3.99Å; Y479-V539 WeakPolarHBondContact CE1-O 3.43Å; Y479-R541 HydrophobicContact CD1-CG 3.81Å; Y479-R541 HydrophobicContact CE1-CG 3.99Å; Y479-R541 PolarHBondContact O-NH1 2.93Å
480	L	98	Very high	93.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-47.2	172.3	171.4	57.8	0	0	0	110.8	V417 Y418 L432 L464 F467 F468 A477 D482 S483 M484	V417-L480 HydrophobicContact CB-CD1 4.4Å; V417-L480 HydrophobicContact CG2-CD1 3.89Å; Y418-L480 HydrophobicContact CE1-CB 3.95Å; L432-L480 HydrophobicContact CD2-CD1 4.26Å; L464-L480 HydrophobicContact CD1-CD1 4.3Å; L464-L480 HydrophobicContact CD1-CD2 4.01Å; L464-L480 HydrophobicContact CD1-CG 4.23Å; F467-L480 HydrophobicContact CD1-CD1 4.01Å; F467-L480 HydrophobicContact CD1-CD2 3.97Å; F467-L480 HydrophobicContact CE1-CD1 3.72Å; F467-L480 HydrophobicContact CE1-CD2 4.24Å; F468-L480 HydrophobicContact CB-CD2 3.78Å; F468-L480 HydrophobicContact CD2-CD2 4.04Å; F468-L480 HydrophobicContact CG-CD2 4.26Å; A477-L480 WeakPolarHBondContact O-CB 3.45Å; A477-L480 PolarHBondContact O-N 3.26Å; L480-D482 PolarHBondContact O-N 3.25Å; L480-S483 PolarHBondContact O-N 3.41Å; L480-M484 HydrophobicContact CD1-CG 4.07Å; L480-M484 WeakPolarHBondContact O-CG 3.42Å; L480-M484 PolarHBondContact O-N 3.19Å
481	V	98.4	Very high	93.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-45.3	177.8	170.9	0	0	0	0	111.2	A477 S483 M484 W485 I524 C527 T528	A477-V481 HydrophobicContact CB-CG2 4.36Å; A477-V481 PolarHBondContact O-N 2.87Å; V481-S483 PolarHBondContact O-N 3.28Å; V481-M484 CarbonylContact O-C 3.58Å; V481-M484 PolarHBondContact O-N 2.9Å; V481-W485 HydrophobicContact CG1-CE3 3.91Å; V481-W485 HydrophobicContact CG1-CZ3 4.09Å; V481-W485 WeakPolarHBondContact O-CB 3.46Å; V481-W485 PolarHBondContact O-N 3Å; V481-I524 HydrophobicContact CG2-CG2 4.39Å; V481-C527 HydrophobicContact CB-CB 4.16Å; V481-C527 HydrophobicContact CG1-CB 4.41Å; V481-C527 HydrophobicContact CG2-CB 3.8Å; V481-T528 HydrophobicContact CG1-CG2 3.72Å; V481-T528 HydrophobicContact CG2-CG2 4.1Å
482	D	98.3	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-40.3	176.8	176.5	55.8	0	0	0	113.2	R422 A478 L480 M484 W485 Q531 P538 R541	R422-D482 WeakPolarHBondContact CD-OD2 3.43Å; R422-D482 IonicContact CZ-OD1 3.25Å; R422-D482 VanDerWaalsContact CZ-OD1 3.26Å; R422-D482 IonicContact CZ-OD2 3.9Å; R422-D482 VanDerWaalsContact NE-CG 3.27Å; R422-D482 IonicContact NE-OD1 2.72Å; R422-D482 PolarHBondContact NE-OD1 2.8Å; R422-D482 IonicContact NE-OD2 2.93Å; R422-D482 PolarHBondContact NE-OD2 3.37Å; R422-D482 PolarHBondContact NH2-O 3.31Å; R422-D482 VanDerWaalsContact NH2-O 3.17Å; R422-D482 IonicContact NH2-OD1 3.8Å; R422-D482 PolarHBondContact NH2-OD1 3.26Å; A478-D482 PolarHBondContact O-N 3.46Å; A478-D482 VanDerWaalsContact O-N 3.08Å; L480-D482 PolarHBondContact O-N 3.25Å; D482-M484 VanDerWaalsContact C-N 3.3Å; D482-M484 PolarHBondContact O-N 3.35Å; D482-W485 VanDerWaalsContact O-CB 3.25Å; D482-W485 WeakPolarHBondContact O-CB 3.49Å; D482-W485 PolarHBondContact O-N 2.73Å; D482-Q531 PolarHBondContact OD1-NE2 3.17Å; D482-P538 HydrophobicContact CB-CG 4.06Å; D482-R541 WeakPolarHBondContact OD2-CB 3.5Å; D482-R541 WeakPolarHBondContact OD2-CD 3.47Å; D482-R541 WeakPolarHBondContact OD2-CG 3.19Å; D482-R541 IonicContact OD2-CZ 3.85Å; D482-R541 IonicContact OD2-NH1 3.09Å; D482-R541 PolarHBondContact OD2-NH1 3.13Å
483	S	98.3	Very high	94.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-32.1	178.6	-64.7	0	0	0	0	112.9	V417 A425 Y479 L480 V481 R541	V417-S483 PolarHBondContact O-OG 2.78Å; A425-S483 VanDerWaalsContact CB-OG 3.24Å; A425-S483 WeakPolarHBondContact CB-OG 3.17Å; A425-S483 WeakPolarHBondContact O-CB 3.38Å; Y479-S483 WeakPolarHBondContact O-CB 3.21Å; Y479-S483 PolarHBondContact O-N 3.41Å; Y479-S483 VanDerWaalsContact O-N 3.13Å; Y479-S483 PolarHBondContact O-OG 3.17Å; L480-S483 PolarHBondContact O-N 3.41Å; V481-S483 PolarHBondContact O-N 3.28Å; S483-R541 PolarHBondContact OG-NH1 2.9Å; S483-R541 PolarHBondContact OG-NH2 3.22Å
484	M	97.8	Very high	95.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-89.6	-10.6	176.6	-65.7	-68.9	-82	0	0	112.8	G429 L432 F433 F437 L480 V481 D482 D486 C487 A488 L492	G429-M484 VanDerWaalsContact O-SD 3.41Å; L432-M484 HydrophobicContact CB-SD 4.43Å; L432-M484 HydrophobicContact CD2-CE 4.4Å; L432-M484 HydrophobicContact CD2-SD 3.98Å; L432-M484 HydrophobicContact CG-CE 4.46Å; L432-M484 HydrophobicContact CG-SD 4.34Å; F433-M484 HydrophobicContact CB-CE 3.96Å; F433-M484 HydrophobicContact CB-SD 4.42Å; F433-M484 HydrophobicContact CD2-CE 4.01Å; F433-M484 HydrophobicContact CG-CE 4.49Å; F437-M484 HydrophobicContact CD2-CE 4.13Å; F437-M484 HydrophobicContact CE2-CE 4.05Å; F437-M484 HydrophobicContact CZ-CE 4.47Å; L480-M484 HydrophobicContact CD1-CG 4.07Å; L480-M484 WeakPolarHBondContact O-CG 3.42Å; L480-M484 PolarHBondContact O-N 3.19Å; V481-M484 CarbonylContact O-C 3.58Å; V481-M484 PolarHBondContact O-N 2.9Å; D482-M484 VanDerWaalsContact C-N 3.3Å; D482-M484 PolarHBondContact O-N 3.35Å; M484-D486 PolarHBondContact O-N 2.96Å; M484-C487 PolarHBondContact O-N 2.94Å; M484-C487 PolarHBondContact O-SG 3.42Å; M484-C487 VanDerWaalsContact O-SG 3.41Å; M484-A488 HydrophobicContact CB-CB 4.31Å; M484-A488 HydrophobicContact CE-CB 4.26Å; M484-A488 WeakPolarHBondContact O-CA 3.41Å; M484-A488 WeakPolarHBondContact O-CB 3.27Å; M484-A488 PolarHBondContact O-N 2.95Å; M484-L492 HydrophobicContact CB-CD1 3.91Å
485	W	97.7	Very high	95.8	Very high	37 Å²	37	36.9 Å²	36.9	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-45.9	-172.9	-162.2	-109.9	0	0	0	112.9	V481 D482 C487 T489 L492 T528 Q531 A532	V481-W485 HydrophobicContact CG1-CE3 3.91Å; V481-W485 HydrophobicContact CG1-CZ3 4.09Å; V481-W485 WeakPolarHBondContact O-CB 3.46Å; V481-W485 PolarHBondContact O-N 3Å; D482-W485 VanDerWaalsContact O-CB 3.25Å; D482-W485 WeakPolarHBondContact O-CB 3.49Å; D482-W485 PolarHBondContact O-N 2.73Å; W485-C487 VanDerWaalsContact C-N 3.3Å; W485-C487 PolarHBondContact O-N 2.97Å; W485-T489 WeakPolarHBondContact O-CB 3.47Å; W485-T489 PolarHBondContact O-N 3.26Å; W485-L492 HydrophobicContact CE3-CB 4.48Å; W485-L492 HydrophobicContact CE3-CD1 3.98Å; W485-L492 HydrophobicContact CZ3-CB 4.33Å; W485-T528 WeakPolarHBondContact CH2-O 3.44Å; W485-T528 HydrophobicContact CZ3-CG2 4.47Å; W485-Q531 HydrophobicContact CD2-CG 3.95Å; W485-Q531 HydrophobicContact CE3-CB 4.41Å; W485-Q531 HydrophobicContact CE3-CG 4.19Å; W485-Q531 HydrophobicContact CH2-CB 4Å; W485-Q531 HydrophobicContact CH2-CG 4.17Å; W485-Q531 HydrophobicContact CZ2-CB 4.21Å; W485-Q531 HydrophobicContact CZ2-CG 3.92Å; W485-Q531 HydrophobicContact CZ3-CB 4.12Å; W485-Q531 HydrophobicContact CZ3-CG 4.31Å; W485-A532 HydrophobicContact CH2-CB 3.97Å; W485-A532 HydrophobicContact CZ2-CB 4.33Å
486	D	95.1	Very high	96.1	Very high	95 Å²	95	31.1 Å²	31.1	51%	0.508	16%	0.157	S	C	.	.	H	α-helix	trans	-74.5	-19.2	-173.4	-63.2	6.3	0	0	0	112.8	R422 V426 M484	R422-D486 IonicContact CZ-OD1 2.72Å; R422-D486 IonicContact CZ-OD2 3.67Å; R422-D486 IonicContact NH1-OD1 3.27Å; R422-D486 PolarHBondContact NH1-OD1 2.83Å; R422-D486 IonicContact NH1-OD2 2.68Å; R422-D486 PolarHBondContact NH1-OD2 2.87Å; R422-D486 IonicContact NH2-OD1 2.71Å; R422-D486 PolarHBondContact NH2-OD1 3.09Å; R422-D486 IonicContact NH2-OD2 2.98Å; V426-D486 HydrophobicContact CG1-CB 3.96Å; M484-D486 PolarHBondContact O-N 2.96Å
487	C	94.8	Very high	96.2	Very high	40 Å²	40	27.8 Å²	27.8	27%	0.27	14%	0.141	S	C	.	.	H	α-helix	trans	-114.4	-26.4	-177.3	62.9	0	0	0	0	114.9	M484 W485	M484-C487 PolarHBondContact O-N 2.94Å; M484-C487 PolarHBondContact O-SG 3.42Å; M484-C487 VanDerWaalsContact O-SG 3.41Å; W485-C487 VanDerWaalsContact C-N 3.3Å; W485-C487 PolarHBondContact O-N 2.97Å
488	A	95.5	Very high	96.3	Very high	4 Å²	4	28 Å²	28	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-122.5	17.6	-171.5	0	0	0	0	0	113.8	F433 M484 E490 L491 L492	F433-A488 HydrophobicContact CD2-CB 3.78Å; F433-A488 HydrophobicContact CE2-CB 3.8Å; M484-A488 HydrophobicContact CB-CB 4.31Å; M484-A488 HydrophobicContact CE-CB 4.26Å; M484-A488 WeakPolarHBondContact O-CA 3.41Å; M484-A488 WeakPolarHBondContact O-CB 3.27Å; M484-A488 PolarHBondContact O-N 2.95Å; A488-E490 PolarHBondContact O-N 3.23Å; A488-L491 WeakPolarHBondContact O-CB 3.45Å; A488-L491 PolarHBondContact O-N 3.41Å; A488-L492 HydrophobicContact CB-CD1 4.27Å; A488-L492 HydrophobicContact CB-CG 4.36Å; A488-L492 WeakPolarHBondContact O-CG 3.38Å; A488-L492 PolarHBondContact O-N 2.77Å
489	T	94.3	Very high	96.3	Very high	54 Å²	54	28.4 Å²	28.4	33%	0.331	14%	0.143	S	C	.	.	H	α-helix	trans	-52.7	-24.1	-178.3	-178.3	0	0	0	0	115.3	W485 K493	W485-T489 WeakPolarHBondContact O-CB 3.47Å; W485-T489 PolarHBondContact O-N 3.26Å; T489-K493 WeakPolarHBondContact O-CB 3.24Å; T489-K493 WeakPolarHBondContact O-CG 3.3Å; T489-K493 PolarHBondContact O-N 3.45Å; T489-K493 WeakPolarHBondContact OG1-CE 3.36Å
490	E	91.8	Very high	96.2	Very high	165 Å²	165	27.3 Å²	27.3	77%	0.771	14%	0.14	S	C	*	.	H	α-helix	trans	-72.9	-37.3	176.5	-62.7	-171.9	169	0	0	112.3	A488	A488-E490 PolarHBondContact O-N 3.23Å
491	L	94.4	Very high	96	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-72.7	-47.4	173.7	175.2	62.4	0	0	0	110.6	F437 N457 L460 V461 A488 K493 D494	F437-L491 HydrophobicContact CD1-CD2 3.99Å; F437-L491 HydrophobicContact CE1-CD2 4.3Å; N457-L491 HydrophobicContact CB-CD1 3.79Å; L460-L491 HydrophobicContact CB-CD1 3.77Å; L460-L491 HydrophobicContact CB-CD2 3.93Å; V461-L491 HydrophobicContact CG2-CD1 3.7Å; A488-L491 WeakPolarHBondContact O-CB 3.45Å; A488-L491 PolarHBondContact O-N 3.41Å; L491-K493 PolarHBondContact O-N 3.14Å; L491-D494 WeakPolarHBondContact O-CB 3.42Å; L491-D494 PolarHBondContact O-N 3.47Å; L491-D494 VanDerWaalsContact O-N 3.12Å
492	L	97.3	Very high	95.8	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-67	-16.3	-176.1	-64.2	172.6	0	0	0	113.7	L464 M484 W485 A488 W495 M498 T528	L464-L492 HydrophobicContact CD2-CD2 3.69Å; M484-L492 HydrophobicContact CB-CD1 3.91Å; W485-L492 HydrophobicContact CE3-CB 4.48Å; W485-L492 HydrophobicContact CE3-CD1 3.98Å; W485-L492 HydrophobicContact CZ3-CB 4.33Å; A488-L492 HydrophobicContact CB-CD1 4.27Å; A488-L492 HydrophobicContact CB-CG 4.36Å; A488-L492 WeakPolarHBondContact O-CG 3.38Å; A488-L492 PolarHBondContact O-N 2.77Å; L492-W495 PolarHBondContact O-NE1 3.04Å; L492-M498 WeakPolarHBondContact O-CE 3.34Å; L492-T528 HydrophobicContact CB-CG2 3.84Å; L492-T528 HydrophobicContact CD2-CG2 3.87Å; L492-T528 HydrophobicContact CG-CG2 4.4Å; L492-T528 WeakPolarHBondContact O-CB 3.28Å; L492-T528 VanDerWaalsContact O-CG2 3.28Å; L492-T528 WeakPolarHBondContact O-CG2 3.39Å; L492-T528 PolarHBondContact O-OG1 2.87Å
493	K	97.5	Very high	95.6	Very high	29 Å²	29	30 Å²	30	13%	0.126	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	11.8	175.8	-62.6	-173.3	178.3	-174	0	113.8	T489 L491 W495 D559 K562	T489-K493 WeakPolarHBondContact O-CB 3.24Å; T489-K493 WeakPolarHBondContact O-CG 3.3Å; T489-K493 PolarHBondContact O-N 3.45Å; T489-K493 WeakPolarHBondContact OG1-CE 3.36Å; L491-K493 PolarHBondContact O-N 3.14Å; K493-W495 HydrophobicContact CB-CH2 4.02Å; K493-W495 HydrophobicContact CB-CZ2 4Å; K493-W495 HydrophobicContact CB-CZ3 4.4Å; K493-W495 HydrophobicContact CD-CH2 4.12Å; K493-W495 HydrophobicContact CD-CZ2 4.4Å; K493-W495 HydrophobicContact CG-CH2 3.89Å; K493-W495 HydrophobicContact CG-CZ2 3.74Å; K493-W495 PolarHBondContact O-N 2.89Å; K493-D559 IonicContact NZ-OD1 3.58Å; K493-D559 IonicContact NZ-OD2 2.98Å; K493-D559 PolarHBondContact NZ-OD2 2.7Å; K493-K562 PolarHBondContact O-NZ 2.86Å
494	D	96.5	Very high	95.1	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	18%	0.175	C	C	.	.			trans	-84.1	59	173.4	-158.8	-13.2	0	0	0	111.9	N457 L491 E496 C497 M498	N457-D494 WeakPolarHBondContact CB-OD2 3.25Å; N457-D494 PolarHBondContact ND2-OD2 3.12Å; L491-D494 WeakPolarHBondContact O-CB 3.42Å; L491-D494 PolarHBondContact O-N 3.47Å; L491-D494 VanDerWaalsContact O-N 3.12Å; D494-E496 PolarHBondContact O-N 2.9Å; D494-C497 HydrophobicContact CB-CB 4.13Å; D494-C497 WeakPolarHBondContact O-CB 3.41Å; D494-C497 PolarHBondContact O-N 3.11Å; D494-C497 VanDerWaalsContact O-N 3.13Å; D494-C497 VanDerWaalsContact OD1-CB 3.27Å; D494-C497 WeakPolarHBondContact OD1-CB 3.32Å; D494-C497 PolarHBondContact OD1-N 3.48Å; D494-M498 PolarHBondContact O-N 3.31Å
495	W	97.5	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-24.7	177.7	-54.3	-55.5	0	0	0	113.1	L492 K493 M498 N499 T528 I529 A532 D559 K562 I563 L566 F567	L492-W495 PolarHBondContact O-NE1 3.04Å; K493-W495 HydrophobicContact CB-CH2 4.02Å; K493-W495 HydrophobicContact CB-CZ2 4Å; K493-W495 HydrophobicContact CB-CZ3 4.4Å; K493-W495 HydrophobicContact CD-CH2 4.12Å; K493-W495 HydrophobicContact CD-CZ2 4.4Å; K493-W495 HydrophobicContact CG-CH2 3.89Å; K493-W495 HydrophobicContact CG-CZ2 3.74Å; K493-W495 PolarHBondContact O-N 2.89Å; W495-M498 HydrophobicContact CG-CE 4.44Å; W495-N499 WeakPolarHBondContact O-CB 3.26Å; W495-N499 PolarHBondContact O-N 3.1Å; W495-T528 PolarHBondContact NE1-OG1 2.84Å; W495-I529 HydrophobicContact CD2-CG1 4.46Å; W495-I529 HydrophobicContact CG-CG1 4.4Å; W495-A532 HydrophobicContact CH2-CB 3.79Å; W495-A532 HydrophobicContact CZ2-CB 3.73Å; W495-D559 HydrophobicContact CH2-CB 4.18Å; W495-K562 HydrophobicContact CE3-CD 4.04Å; W495-K562 HydrophobicContact CE3-CG 4.43Å; W495-K562 HydrophobicContact CZ3-CD 3.98Å; W495-K562 HydrophobicContact CZ3-CG 4.48Å; W495-I563 HydrophobicContact CD2-CG1 4.18Å; W495-I563 HydrophobicContact CE3-CG1 3.72Å; W495-I563 HydrophobicContact CH2-CD1 3.69Å; W495-I563 HydrophobicContact CH2-CG1 3.72Å; W495-I563 HydrophobicContact CZ2-CD1 4.05Å; W495-I563 HydrophobicContact CZ2-CG1 4.15Å; W495-I563 HydrophobicContact CZ3-CD1 3.98Å; W495-I563 HydrophobicContact CZ3-CG1 3.48Å; W495-I563 VanDerWaalsContact CZ3-CG1 3.48Å; W495-L566 HydrophobicContact CB-CD2 3.67Å; W495-F567 HydrophobicContact CB-CE2 3.78Å; W495-F567 HydrophobicContact CB-CZ 3.98Å; W495-F567 HydrophobicContact CG-CE2 4.16Å
496	E	95.1	Very high	93.5	Very high	70 Å²	70	43.6 Å²	43.6	33%	0.327	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-45.5	172.9	-170.1	176.7	165	0	0	109.6	R451 D494 S500	R451-E496 WeakPolarHBondContact CD-OE1 3.44Å; R451-E496 IonicContact CZ-OE1 2.72Å; R451-E496 IonicContact NE-OE1 3.63Å; R451-E496 IonicContact NH1-OE1 3.67Å; R451-E496 PolarHBondContact NH1-OE1 3.04Å; R451-E496 VanDerWaalsContact NH1-OE1 3.09Å; R451-E496 IonicContact NH1-OE2 3.13Å; R451-E496 PolarHBondContact NH1-OE2 3.24Å; D494-E496 PolarHBondContact O-N 2.9Å; E496-S500 WeakPolarHBondContact O-CB 3.49Å; E496-S500 PolarHBondContact O-N 2.94Å; E496-S500 VanDerWaalsContact O-N 3.11Å; E496-S500 PolarHBondContact O-OG 2.83Å
497	C	94.1	Very high	92.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-48.1	174.4	-169.5	0	0	0	0	113.2	G452 A458 D494 N499 S500 L501	G452-C497 PolarHBondContact O-SG 3.36Å; A458-C497 WeakPolarHBondContact CA-SG 3.25Å; D494-C497 HydrophobicContact CB-CB 4.13Å; D494-C497 WeakPolarHBondContact O-CB 3.41Å; D494-C497 PolarHBondContact O-N 3.11Å; D494-C497 VanDerWaalsContact O-N 3.13Å; D494-C497 VanDerWaalsContact OD1-CB 3.27Å; D494-C497 WeakPolarHBondContact OD1-CB 3.32Å; D494-C497 PolarHBondContact OD1-N 3.48Å; C497-N499 PolarHBondContact O-N 2.84Å; C497-S500 PolarHBondContact O-N 3.06Å; C497-L501 PolarHBondContact O-N 3.17Å
498	M	96.6	Very high	91.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-44	178.9	-67.3	-172.9	-107.6	0	0	112.2	V461 L492 D494 W495 L501 L502 L521 M525	V461-M498 HydrophobicContact CG1-CG 4.01Å; V461-M498 HydrophobicContact CG2-CG 4.22Å; L492-M498 WeakPolarHBondContact O-CE 3.34Å; D494-M498 PolarHBondContact O-N 3.31Å; W495-M498 HydrophobicContact CG-CE 4.44Å; M498-L501 PolarHBondContact O-N 2.82Å; M498-L502 PolarHBondContact O-N 2.98Å; M498-L521 HydrophobicContact CB-CD1 4.22Å; M498-L521 HydrophobicContact CG-CD1 4Å; M498-L521 HydrophobicContact SD-CD1 4.3Å; M498-M525 HydrophobicContact CB-CG 4.35Å; M498-M525 HydrophobicContact CB-SD 4Å; M498-M525 HydrophobicContact SD-CB 3.91Å; M498-M525 HydrophobicContact SD-CG 4.15Å
499	N	96.4	Very high	90	Very high	18 Å²	18	51.8 Å²	51.8	10%	0.096	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-45	177	175.1	73.3	0	0	0	112.5	W495 C497 L501 L502 L503 F567 A570	W495-N499 WeakPolarHBondContact O-CB 3.26Å; W495-N499 PolarHBondContact O-N 3.1Å; C497-N499 PolarHBondContact O-N 2.84Å; N499-L501 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.44Å; N499-L502 PolarHBondContact O-N 3.15Å; N499-L503 PolarHBondContact O-N 3.35Å; N499-L503 WeakPolarHBondContact OD1-CD1 3.4Å; N499-F567 HydrophobicContact CB-CE1 4.32Å; N499-A570 WeakPolarHBondContact OD1-CB 3.23Å
500	S	94.1	Very high	89.2	Confident	9 Å²	9	51.8 Å²	51.8	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-35.9	176.9	-75.9	0	0	0	0	112.9	G452 E496 C497 L502 L503 E504	G452-S500 WeakPolarHBondContact CA-OG 3.41Å; E496-S500 WeakPolarHBondContact O-CB 3.49Å; E496-S500 PolarHBondContact O-N 2.94Å; E496-S500 VanDerWaalsContact O-N 3.11Å; E496-S500 PolarHBondContact O-OG 2.83Å; C497-S500 PolarHBondContact O-N 3.06Å; S500-L502 PolarHBondContact O-N 3.26Å; S500-L503 PolarHBondContact O-N 3.39Å; S500-E504 VanDerWaalsContact CB-CD 3.42Å; S500-E504 WeakPolarHBondContact CB-OE1 3.21Å; S500-E504 VanDerWaalsContact O-CB 3.3Å; S500-E504 WeakPolarHBondContact O-CB 3.44Å; S500-E504 PolarHBondContact O-N 3.25Å; S500-E504 PolarHBondContact OG-OE1 3.48Å
501	L	93.6	Very high	88.6	Confident	3 Å²	3	52 Å²	52	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-32.2	174.7	-82.3	163.5	0	0	0	113	R453 A458 V461 C497 M498 N499 L513 L521	R453-L501 HydrophobicContact CG-CD2 4.15Å; R453-L501 PolarHBondContact NH1-O 3.12Å; R453-L501 VanDerWaalsContact NH1-O 3.16Å; A458-L501 HydrophobicContact CB-CD1 4.44Å; V461-L501 HydrophobicContact CB-CD1 3.97Å; V461-L501 HydrophobicContact CG1-CD1 3.7Å; C497-L501 PolarHBondContact O-N 3.17Å; M498-L501 PolarHBondContact O-N 2.82Å; N499-L501 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.44Å; L501-L513 HydrophobicContact CB-CD1 4.41Å; L501-L521 HydrophobicContact CB-CD2 3.87Å
502	L	95.8	Very high	88.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-83.9	-27.2	177.6	-67.1	168.7	0	0	0	113.6	M498 N499 S500 E518 L521 I522 M525 L574 K577 Y578	M498-L502 PolarHBondContact O-N 2.98Å; N499-L502 PolarHBondContact O-N 3.15Å; S500-L502 PolarHBondContact O-N 3.26Å; L502-E518 HydrophobicContact CD2-CB 4.16Å; L502-E518 HydrophobicContact CD2-CG 4.38Å; L502-L521 HydrophobicContact CD1-CD2 4.47Å; L502-L521 HydrophobicContact CD1-CG 4.31Å; L502-L521 HydrophobicContact CD2-CB 4.24Å; L502-L521 HydrophobicContact CD2-CD2 3.82Å; L502-L521 HydrophobicContact CD2-CG 4.1Å; L502-L521 HydrophobicContact CG-CD2 3.81Å; L502-L521 HydrophobicContact CG-CG 4.15Å; L502-I522 HydrophobicContact CD1-CG1 3.74Å; L502-I522 HydrophobicContact CD2-CD1 4.38Å; L502-I522 HydrophobicContact CD2-CG1 4.05Å; L502-M525 HydrophobicContact CD1-CE 3.74Å; L502-M525 HydrophobicContact CD1-SD 4.18Å; L502-L574 HydrophobicContact CB-CD2 3.72Å; L502-L574 HydrophobicContact CD1-CD2 4.04Å; L502-K577 PolarHBondContact O-NZ 2.96Å; L502-Y578 HydrophobicContact CB-CE2 4.47Å; L502-Y578 HydrophobicContact CD2-CE2 4.49Å; L502-Y578 WeakPolarHBondContact CD2-OH 3.42Å; L502-Y578 PolarHBondContact O-OH 3.41Å
503	L	93	Very high	87.8	Confident	53 Å²	53	55.3 Å²	55.3	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-108.1	-34.3	-173.3	-68.8	-179.3	0	0	0	115.6	N499 S500 A570 Q573 L574	N499-L503 PolarHBondContact O-N 3.35Å; N499-L503 WeakPolarHBondContact OD1-CD1 3.4Å; S500-L503 PolarHBondContact O-N 3.39Å; L503-A570 HydrophobicContact CD1-CB 4.36Å; L503-Q573 HydrophobicContact CD1-CB 4.21Å; L503-Q573 HydrophobicContact CD2-CB 4.14Å; L503-L574 HydrophobicContact CD1-CD2 4.32Å; L503-L574 HydrophobicContact CD1-CG 4.29Å; L503-L574 HydrophobicContact CD2-CD2 3.68Å; L503-L574 HydrophobicContact CD2-CG 4.04Å; L503-L574 HydrophobicContact CG-CD2 3.77Å; L503-L574 HydrophobicContact CG-CG 4.23Å
504	E	88.5	Confident	87.7	Confident	93 Å²	93	57.6 Å²	57.6	44%	0.435	34%	0.335	S	S	.	.	S	Bend	trans	-85.6	139.6	-175.7	-64.3	167.5	-163.1	0	0	111	R453 S500	R453-E504 HydrophobicContact CB-CB 4.4Å; R453-E504 WeakPolarHBondContact CB-OE2 3.49Å; R453-E504 PolarHBondContact N-OE2 3.24Å; R453-E504 PolarHBondContact NH1-O 2.68Å; S500-E504 VanDerWaalsContact CB-CD 3.42Å; S500-E504 WeakPolarHBondContact CB-OE1 3.21Å; S500-E504 VanDerWaalsContact O-CB 3.3Å; S500-E504 WeakPolarHBondContact O-CB 3.44Å; S500-E504 PolarHBondContact O-N 3.25Å; S500-E504 PolarHBondContact OG-OE1 3.48Å
505	E	81.1	Confident	87.6	Confident	175 Å²	175	60.5 Å²	60.5	82%	0.818	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-63.1	147.7	175.7	-70.8	-173	167.6	0	0	112
506	P	79.5	Confident	87.5	Confident	57 Å²	57	67.3 Å²	67.3	37%	0.37	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.2	143.3	174.4	27.7	-35.9	0	0	0	111.7	E510 A512	P506-E510 HydrophobicContact CB-CB 4.29Å; P506-A512 HydrophobicContact CG-CB 4.19Å
507	L	75.2	Confident	87.6	Confident	86 Å²	86	65.3 Å²	65.3	45%	0.45	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-72.4	158.2	176.8	-62.7	167.1	0	0	0	110.9	Q454 G509 E510	Q454-L507 HydrophobicContact CG-CD1 3.69Å; L507-G509 PolarHBondContact O-N 3.11Å; L507-E510 HydrophobicContact CB-CB 4.33Å; L507-E510 PolarHBondContact N-OE2 3.01Å; L507-E510 WeakPolarHBondContact O-CB 3.49Å; L507-E510 PolarHBondContact O-N 2.8Å
508	S	69.5	Low	87.8	Confident	140 Å²	140	66.5 Å²	66.5	98%	0.979	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	100.8	-179.5	174.5	0	0	0	0	112
509	G	69.2	Low	87.8	Confident	86 Å²	86	66.5 Å²	66.5	89%	0.887	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.1	-0.2	-175.8	0	0	0	0	0	114.7	L507	L507-G509 PolarHBondContact O-N 3.11Å
510	E	76.5	Confident	87.8	Confident	53 Å²	53	65.7 Å²	65.7	25%	0.248	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-93	138.1	171.1	-161.9	-153	150.3	0	0	110.4	R453 K462 P506 L507	R453-E510 IonicContact CZ-OE1 3.26Å; R453-E510 IonicContact CZ-OE2 3.97Å; R453-E510 IonicContact NE-OE1 2.76Å; R453-E510 PolarHBondContact NE-OE1 3.3Å; R453-E510 IonicContact NE-OE2 2.86Å; R453-E510 PolarHBondContact NE-OE2 3.09Å; R453-E510 IonicContact NH2-OE1 2.79Å; R453-E510 PolarHBondContact NH2-OE1 2.66Å; R453-E510 IonicContact NH2-OE2 3.63Å; K462-E510 IonicContact NZ-OE1 3.53Å; K462-E510 PolarHBondContact NZ-OE1 3.28Å; P506-E510 HydrophobicContact CB-CB 4.29Å; L507-E510 HydrophobicContact CB-CB 4.33Å; L507-E510 PolarHBondContact N-OE2 3.01Å; L507-E510 WeakPolarHBondContact O-CB 3.49Å; L507-E510 PolarHBondContact O-N 2.8Å
511	E	78.9	Confident	88.1	Confident	169 Å²	169	65.4 Å²	65.4	79%	0.79	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-76.2	135.7	171.8	-65.1	-173.7	164.7	0	0	111.2	K462	K462-E511 PolarHBondContact NZ-O 3.21Å
512	A	84.6	Confident	88.3	Confident	61 Å²	61	65.3 Å²	65.3	50%	0.504	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-65.4	155.5	172.6	0	0	0	0	0	110.9	P506	P506-A512 HydrophobicContact CG-CB 4.19Å
513	L	90.8	Very high	88.4	Confident	23 Å²	23	66 Å²	66	12%	0.12	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-68.1	141.3	166.4	-63.2	179.3	0	0	0	109.1	K462 L501 Q517 E518 L521	K462-L513 HydrophobicContact CD-CD2 4.24Å; K462-L513 HydrophobicContact CG-CD2 4.16Å; L501-L513 HydrophobicContact CB-CD1 4.41Å; L513-Q517 HydrophobicContact CB-CB 4.29Å; L513-Q517 HydrophobicContact CD2-CB 4.34Å; L513-E518 HydrophobicContact CB-CG 3.73Å; L513-E518 HydrophobicContact CD1-CG 4.27Å; L513-L521 HydrophobicContact CD1-CD2 3.71Å
514	T	94.9	Very high	88.7	Confident	76 Å²	76	63.6 Å²	63.6	47%	0.466	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-79.2	157.3	167.6	64.9	0	0	0	0	110.1	R516 Q517 E518	T514-R516 VanDerWaalsContact C-N 3.3Å; T514-R516 PolarHBondContact O-N 2.96Å; T514-Q517 CarbonylContact O-C 3.6Å; T514-Q517 WeakPolarHBondContact O-CA 3.37Å; T514-Q517 VanDerWaalsContact O-CB 3.3Å; T514-Q517 WeakPolarHBondContact O-CB 3.46Å; T514-Q517 PolarHBondContact O-N 3.05Å; T514-Q517 VanDerWaalsContact OG1-CG 3.29Å; T514-Q517 WeakPolarHBondContact OG1-CG 3.14Å; T514-Q517 PolarHBondContact OG1-NE2 3Å; T514-Q517 PolarHBondContact OG1-OE1 3.34Å; T514-E518 PolarHBondContact O-N 2.93Å
515	D	95.8	Very high	89.2	Confident	94 Å²	94	59.2 Å²	59.2	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-56	-40.3	-176.8	-177.3	83.5	0	0	0	113.5	Q517 E518 S519 K584	D515-Q517 VanDerWaalsContact C-N 3.3Å; D515-Q517 PolarHBondContact O-N 3.47Å; D515-E518 PolarHBondContact O-N 2.72Å; D515-E518 VanDerWaalsContact O-N 3.08Å; D515-S519 PolarHBondContact O-N 3.4Å; D515-K584 WeakPolarHBondContact O-CE 3.4Å; D515-K584 WeakPolarHBondContact OD1-CE 3.47Å; D515-K584 IonicContact OD1-NZ 3.32Å; D515-K584 PolarHBondContact OD1-NZ 3.19Å; D515-K584 VanDerWaalsContact OD1-NZ 3.11Å; D515-K584 IonicContact OD2-NZ 3.52Å; D515-K584 PolarHBondContact OD2-NZ 3.48Å
516	R	95.3	Very high	90	Very high	143 Å²	143	51 Å²	51	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-32.3	173.2	-169.3	179.3	-179.7	-157.3	-4.8	112.5	L469 E472 T514 A520	L469-R516 HydrophobicContact CD1-CG 4.13Å; L469-R516 HydrophobicContact CD2-CG 3.77Å; E472-R516 IonicContact OE1-NH2 2.7Å; T514-R516 VanDerWaalsContact C-N 3.3Å; T514-R516 PolarHBondContact O-N 2.96Å; R516-A520 WeakPolarHBondContact O-CB 3.49Å; R516-A520 PolarHBondContact O-N 2.96Å; R516-A520 VanDerWaalsContact O-N 3.12Å
517	Q	96.2	Very high	90.9	Very high	27 Å²	27	48.4 Å²	48.4	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-75.1	-30.9	172.8	-67.3	161.3	-1.4	0	0	112.2	V465 L469 L513 T514 D515 L521	V465-Q517 HydrophobicContact CG1-CB 3.82Å; V465-Q517 HydrophobicContact CG1-CG 3.97Å; L469-Q517 HydrophobicContact CD1-CB 4.47Å; L469-Q517 HydrophobicContact CD1-CG 3.8Å; L513-Q517 HydrophobicContact CB-CB 4.29Å; L513-Q517 HydrophobicContact CD2-CB 4.34Å; T514-Q517 CarbonylContact O-C 3.6Å; T514-Q517 WeakPolarHBondContact O-CA 3.37Å; T514-Q517 VanDerWaalsContact O-CB 3.3Å; T514-Q517 WeakPolarHBondContact O-CB 3.46Å; T514-Q517 PolarHBondContact O-N 3.05Å; T514-Q517 VanDerWaalsContact OG1-CG 3.29Å; T514-Q517 WeakPolarHBondContact OG1-CG 3.14Å; T514-Q517 PolarHBondContact OG1-NE2 3Å; T514-Q517 PolarHBondContact OG1-OE1 3.34Å; D515-Q517 VanDerWaalsContact C-N 3.3Å; D515-Q517 PolarHBondContact O-N 3.47Å; Q517-L521 WeakPolarHBondContact O-CB 3.38Å; Q517-L521 PolarHBondContact O-N 3.09Å
518	E	97.5	Very high	92	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-69.6	-42.2	173.5	-62.1	-167.1	110.5	0	0	111.3	L502 L513 T514 D515 L521 I522 K577 Y578	L502-E518 HydrophobicContact CD2-CB 4.16Å; L502-E518 HydrophobicContact CD2-CG 4.38Å; L513-E518 HydrophobicContact CB-CG 3.73Å; L513-E518 HydrophobicContact CD1-CG 4.27Å; T514-E518 PolarHBondContact O-N 2.93Å; D515-E518 PolarHBondContact O-N 2.72Å; D515-E518 VanDerWaalsContact O-N 3.08Å; E518-L521 PolarHBondContact O-N 3.48Å; E518-I522 WeakPolarHBondContact O-CB 3.49Å; E518-I522 VanDerWaalsContact O-CG1 3.28Å; E518-I522 WeakPolarHBondContact O-CG1 3.11Å; E518-I522 PolarHBondContact O-N 3.3Å; E518-K577 IonicContact OE1-NZ 3.54Å; E518-K577 PolarHBondContact OE1-NZ 2.85Å; E518-Y578 HydrophobicContact CB-CE1 4.15Å; E518-Y578 VanDerWaalsContact CD-OH 3.27Å; E518-Y578 PolarHBondContact OE1-OH 2.89Å
519	S	97.3	Very high	93.4	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-55.2	-56.3	169.1	-78.4	0	0	0	0	111.9	D515 L521 I522 E523 E583 K584	D515-S519 PolarHBondContact O-N 3.4Å; S519-L521 VanDerWaalsContact C-N 3.31Å; S519-L521 PolarHBondContact O-N 3Å; S519-I522 WeakPolarHBondContact O-CB 3.27Å; S519-I522 PolarHBondContact O-N 3.22Å; S519-E523 PolarHBondContact O-N 3.16Å; S519-E583 WeakPolarHBondContact CB-OE1 3.2Å; S519-E583 VanDerWaalsContact CB-OE2 3.23Å; S519-E583 WeakPolarHBondContact CB-OE2 3.45Å; S519-E583 VanDerWaalsContact OG-CD 3.27Å; S519-E583 PolarHBondContact OG-OE2 2.78Å; S519-K584 VanDerWaalsContact OG-CE 3.26Å; S519-K584 WeakPolarHBondContact OG-CE 3.3Å; S519-K584 WeakPolarHBondContact OG-CG 3.22Å; S519-K584 PolarHBondContact OG-NZ 3.11Å
520	A	97.7	Very high	94.7	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-38.5	-179.6	0	0	0	0	0	113.3	V465 F468 L469 R516 E523 I524	V465-A520 HydrophobicContact CG1-CB 3.89Å; F468-A520 HydrophobicContact CD1-CB 3.82Å; F468-A520 HydrophobicContact CE1-CB 4.13Å; L469-A520 HydrophobicContact CD1-CB 4.08Å; L469-A520 HydrophobicContact CD2-CB 3.81Å; L469-A520 HydrophobicContact CG-CB 3.87Å; R516-A520 WeakPolarHBondContact O-CB 3.49Å; R516-A520 PolarHBondContact O-N 2.96Å; R516-A520 VanDerWaalsContact O-N 3.12Å; A520-E523 PolarHBondContact O-N 3.26Å; A520-I524 WeakPolarHBondContact O-CB 3.28Å; A520-I524 WeakPolarHBondContact O-CD1 3.33Å; A520-I524 VanDerWaalsContact O-CG1 3.25Å; A520-I524 WeakPolarHBondContact O-CG1 3.42Å; A520-I524 PolarHBondContact O-N 3.25Å
521	L	98.4	Very high	95.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-37	175.7	-178.9	54.5	0	0	0	111.9	V461 V465 M498 L501 L502 L513 Q517 E518 S519 M525	V461-L521 HydrophobicContact CG1-CD1 3.45Å; V461-L521 VanDerWaalsContact CG1-CD1 3.45Å; V465-L521 HydrophobicContact CG2-CB 3.89Å; V465-L521 HydrophobicContact CG2-CD1 4.01Å; V465-L521 HydrophobicContact CG2-CG 4.47Å; M498-L521 HydrophobicContact CB-CD1 4.22Å; M498-L521 HydrophobicContact CG-CD1 4Å; M498-L521 HydrophobicContact SD-CD1 4.3Å; L501-L521 HydrophobicContact CB-CD2 3.87Å; L502-L521 HydrophobicContact CD1-CD2 4.47Å; L502-L521 HydrophobicContact CD1-CG 4.31Å; L502-L521 HydrophobicContact CD2-CB 4.24Å; L502-L521 HydrophobicContact CD2-CD2 3.82Å; L502-L521 HydrophobicContact CD2-CG 4.1Å; L502-L521 HydrophobicContact CG-CD2 3.81Å; L502-L521 HydrophobicContact CG-CG 4.15Å; L513-L521 HydrophobicContact CD1-CD2 3.71Å; Q517-L521 WeakPolarHBondContact O-CB 3.38Å; Q517-L521 PolarHBondContact O-N 3.09Å; E518-L521 PolarHBondContact O-N 3.48Å; S519-L521 VanDerWaalsContact C-N 3.31Å; S519-L521 PolarHBondContact O-N 3Å; L521-M525 WeakPolarHBondContact O-CB 3.12Å; L521-M525 PolarHBondContact O-N 3.02Å
522	I	98.6	Very high	96.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-44.2	174.4	-73.2	166.6	0	0	0	111.1	L502 E518 S519 M525 L526 Y578 K584 N587 L588	L502-I522 HydrophobicContact CD1-CG1 3.74Å; L502-I522 HydrophobicContact CD2-CD1 4.38Å; L502-I522 HydrophobicContact CD2-CG1 4.05Å; E518-I522 WeakPolarHBondContact O-CB 3.49Å; E518-I522 VanDerWaalsContact O-CG1 3.28Å; E518-I522 WeakPolarHBondContact O-CG1 3.11Å; E518-I522 PolarHBondContact O-N 3.3Å; S519-I522 WeakPolarHBondContact O-CB 3.27Å; S519-I522 PolarHBondContact O-N 3.22Å; I522-M525 PolarHBondContact O-N 3.06Å; I522-L526 WeakPolarHBondContact O-CB 3.29Å; I522-L526 PolarHBondContact O-N 2.97Å; I522-Y578 HydrophobicContact CD1-CD2 3.97Å; I522-Y578 HydrophobicContact CD1-CE2 3.94Å; I522-Y578 HydrophobicContact CD1-CG 4.39Å; I522-K584 HydrophobicContact CD1-CB 3.93Å; I522-K584 HydrophobicContact CD1-CD 4.31Å; I522-K584 HydrophobicContact CD1-CG 4Å; I522-N587 HydrophobicContact CG2-CB 3.73Å; I522-L588 HydrophobicContact CD1-CD1 4.11Å; I522-L588 HydrophobicContact CD1-CG 4.32Å; I522-L588 HydrophobicContact CG1-CD2 4.43Å; I522-L588 HydrophobicContact CG2-CD2 4.18Å; I522-L588 HydrophobicContact CG2-CG 3.94Å
523	E	98.3	Very high	97.2	Very high	14 Å²	14	23.8 Å²	23.8	7%	0.065	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-46.3	177	168.8	48.6	-150.4	0	0	112.4	F468 A477 S519 A520 M525 L526 C527 N587	F468-E523 HydrophobicContact CE1-CG 4.47Å; A477-E523 HydrophobicContact CB-CG 3.83Å; A477-E523 PolarHBondContact N-OE1 2.98Å; S519-E523 PolarHBondContact O-N 3.16Å; A520-E523 PolarHBondContact O-N 3.26Å; E523-M525 PolarHBondContact O-N 3.34Å; E523-L526 PolarHBondContact O-N 3.28Å; E523-C527 WeakPolarHBondContact O-CB 3.07Å; E523-C527 PolarHBondContact O-N 2.89Å; E523-C527 PolarHBondContact OE1-SG 3.28Å; E523-N587 PolarHBondContact OE2-ND2 2.68Å
524	I	98.6	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-46.8	173	-71.1	163.3	0	0	0	110.4	L464 V465 F468 A477 V481 A520 C527 T528	L464-I524 HydrophobicContact CD2-CG2 3.99Å; L464-I524 HydrophobicContact CG-CD1 4.28Å; V465-I524 HydrophobicContact CG2-CD1 3.91Å; F468-I524 HydrophobicContact CB-CD1 4.16Å; F468-I524 HydrophobicContact CD1-CD1 4.24Å; F468-I524 HydrophobicContact CG-CD1 4.41Å; A477-I524 HydrophobicContact CB-CB 4.4Å; A477-I524 HydrophobicContact CB-CG1 3.59Å; V481-I524 HydrophobicContact CG2-CG2 4.39Å; A520-I524 WeakPolarHBondContact O-CB 3.28Å; A520-I524 WeakPolarHBondContact O-CD1 3.33Å; A520-I524 VanDerWaalsContact O-CG1 3.25Å; A520-I524 WeakPolarHBondContact O-CG1 3.42Å; A520-I524 PolarHBondContact O-N 3.25Å; I524-C527 PolarHBondContact O-N 3.06Å; I524-T528 WeakPolarHBondContact O-CG2 3.36Å; I524-T528 PolarHBondContact O-N 3.35Å
525	M	98.7	Very high	97.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-48.3	179.5	-177.3	175.4	67.6	0	0	111.5	M498 L502 L521 I522 E523 C527 T528 I529 F567 L574 L588	M498-M525 HydrophobicContact CB-CG 4.35Å; M498-M525 HydrophobicContact CB-SD 4Å; M498-M525 HydrophobicContact SD-CB 3.91Å; M498-M525 HydrophobicContact SD-CG 4.15Å; L502-M525 HydrophobicContact CD1-CE 3.74Å; L502-M525 HydrophobicContact CD1-SD 4.18Å; L521-M525 WeakPolarHBondContact O-CB 3.12Å; L521-M525 PolarHBondContact O-N 3.02Å; I522-M525 PolarHBondContact O-N 3.06Å; E523-M525 PolarHBondContact O-N 3.34Å; M525-C527 PolarHBondContact O-N 3.28Å; M525-T528 PolarHBondContact O-N 3.29Å; M525-T528 PolarHBondContact O-OG1 2.89Å; M525-I529 HydrophobicContact CG-CD1 3.89Å; M525-I529 VanDerWaalsContact O-CG1 3.32Å; M525-I529 WeakPolarHBondContact O-CG1 3.47Å; M525-I529 PolarHBondContact O-N 3.32Å; M525-F567 HydrophobicContact CE-CE1 4.06Å; M525-F567 HydrophobicContact CE-CZ 4.37Å; M525-F567 HydrophobicContact CG-CZ 4.18Å; M525-F567 HydrophobicContact SD-CE1 3.75Å; M525-F567 HydrophobicContact SD-CZ 3.56Å; M525-F567 VanDerWaalsContact SD-CZ 3.56Å; M525-L574 HydrophobicContact CE-CD1 4.39Å; M525-L588 HydrophobicContact CE-CD2 4.18Å
526	L	98.6	Very high	96.9	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-56.4	-48.8	174.1	170.9	64.5	0	0	0	111.7	I522 E523 T528 I529 R530 N587 Q590 L591 Y594	I522-L526 WeakPolarHBondContact O-CB 3.29Å; I522-L526 PolarHBondContact O-N 2.97Å; E523-L526 PolarHBondContact O-N 3.28Å; L526-T528 VanDerWaalsContact C-N 3.32Å; L526-T528 PolarHBondContact O-N 3.44Å; L526-I529 PolarHBondContact O-N 3.29Å; L526-I529 VanDerWaalsContact O-N 3.13Å; L526-R530 PolarHBondContact O-N 3.18Å; L526-N587 HydrophobicContact CD2-CB 3.76Å; L526-N587 VanDerWaalsContact CD2-CG 3.43Å; L526-N587 WeakPolarHBondContact CD2-OD1 3.41Å; L526-Q590 HydrophobicContact CD1-CB 3.84Å; L526-L591 HydrophobicContact CD1-CD2 3.75Å; L526-Y594 HydrophobicContact CD1-CE2 3.94Å
527	C	98.4	Very high	96.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-41	179.4	-85.2	0	0	0	0	112.8	A478 V481 E523 I524 M525 R530 Q531	A478-C527 WeakPolarHBondContact CA-SG 3.23Å; A478-C527 PolarHBondContact N-SG 3.46Å; V481-C527 HydrophobicContact CB-CB 4.16Å; V481-C527 HydrophobicContact CG1-CB 4.41Å; V481-C527 HydrophobicContact CG2-CB 3.8Å; E523-C527 WeakPolarHBondContact O-CB 3.07Å; E523-C527 PolarHBondContact O-N 2.89Å; E523-C527 PolarHBondContact OE1-SG 3.28Å; I524-C527 PolarHBondContact O-N 3.06Å; M525-C527 PolarHBondContact O-N 3.28Å; C527-R530 PolarHBondContact SG-NH2 2.93Å; C527-Q531 WeakPolarHBondContact O-CB 3.45Å; C527-Q531 PolarHBondContact O-N 2.94Å
528	T	98.6	Very high	96.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-34.2	175.8	65.2	0	0	0	0	113.2	V481 W485 L492 W495 I524 M525 L526 A532	V481-T528 HydrophobicContact CG1-CG2 3.72Å; V481-T528 HydrophobicContact CG2-CG2 4.1Å; W485-T528 WeakPolarHBondContact CH2-O 3.44Å; W485-T528 HydrophobicContact CZ3-CG2 4.47Å; L492-T528 HydrophobicContact CB-CG2 3.84Å; L492-T528 HydrophobicContact CD2-CG2 3.87Å; L492-T528 HydrophobicContact CG-CG2 4.4Å; L492-T528 WeakPolarHBondContact O-CB 3.28Å; L492-T528 VanDerWaalsContact O-CG2 3.28Å; L492-T528 WeakPolarHBondContact O-CG2 3.39Å; L492-T528 PolarHBondContact O-OG1 2.87Å; W495-T528 PolarHBondContact NE1-OG1 2.84Å; I524-T528 WeakPolarHBondContact O-CG2 3.36Å; I524-T528 PolarHBondContact O-N 3.35Å; M525-T528 PolarHBondContact O-N 3.29Å; M525-T528 PolarHBondContact O-OG1 2.89Å; L526-T528 VanDerWaalsContact C-N 3.32Å; L526-T528 PolarHBondContact O-N 3.44Å; T528-A532 VanDerWaalsContact O-CB 3.3Å; T528-A532 WeakPolarHBondContact O-CB 3.34Å; T528-A532 PolarHBondContact O-N 3.1Å
529	I	98.5	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.3	-47.6	177.7	-72.7	166.6	0	0	0	110.3	W495 M525 L526 A532 A533 I563 F567 L591 Y594	W495-I529 HydrophobicContact CD2-CG1 4.46Å; W495-I529 HydrophobicContact CG-CG1 4.4Å; M525-I529 HydrophobicContact CG-CD1 3.89Å; M525-I529 VanDerWaalsContact O-CG1 3.32Å; M525-I529 WeakPolarHBondContact O-CG1 3.47Å; M525-I529 PolarHBondContact O-N 3.32Å; L526-I529 PolarHBondContact O-N 3.29Å; L526-I529 VanDerWaalsContact O-N 3.13Å; I529-A532 PolarHBondContact O-N 3.16Å; I529-A533 WeakPolarHBondContact O-CB 3.43Å; I529-A533 PolarHBondContact O-N 2.93Å; I529-I563 HydrophobicContact CG1-CG1 4.48Å; I529-I563 HydrophobicContact CG2-CD1 4.18Å; I529-I563 HydrophobicContact CG2-CG2 3.85Å; I529-F567 HydrophobicContact CD1-CD2 4Å; I529-F567 HydrophobicContact CD1-CE2 3.43Å; I529-F567 VanDerWaalsContact CD1-CE2 3.43Å; I529-F567 HydrophobicContact CD1-CZ 3.81Å; I529-F567 HydrophobicContact CG1-CE2 4.34Å; I529-L591 HydrophobicContact CB-CD2 4.33Å; I529-L591 HydrophobicContact CD1-CD1 4.34Å; I529-L591 HydrophobicContact CD1-CD2 3.64Å; I529-L591 HydrophobicContact CG2-CD2 4.05Å; I529-Y594 HydrophobicContact CG2-CD2 3.95Å; I529-Y594 HydrophobicContact CG2-CG 4.23Å
530	R	97.8	Very high	95.4	Very high	61 Å²	61	24 Å²	24	23%	0.23	14%	0.136	C	C	.	.	H	α-helix	trans	-55.9	-54.6	175.1	179	169.9	57.1	-138.7	-4.9	111.3	L526 C527 A532 A533 E534 Y594	L526-R530 PolarHBondContact O-N 3.18Å; C527-R530 PolarHBondContact SG-NH2 2.93Å; R530-A532 VanDerWaalsContact C-N 3.29Å; R530-A532 PolarHBondContact O-N 3.06Å; R530-A533 PolarHBondContact O-N 3.24Å; R530-A533 VanDerWaalsContact O-N 3.15Å; R530-E534 HydrophobicContact CG-CG 4.26Å; R530-E534 WeakPolarHBondContact CG-OE1 3.46Å; R530-E534 WeakPolarHBondContact CG-OE2 3.21Å; R530-E534 WeakPolarHBondContact O-CB 3.47Å; R530-E534 WeakPolarHBondContact O-CG 3.41Å; R530-E534 PolarHBondContact O-N 3Å; R530-Y594 HydrophobicContact CB-CE1 3.94Å; R530-Y594 HydrophobicContact CB-CE2 4.47Å; R530-Y594 WeakPolarHBondContact CD-OH 3.49Å; R530-Y594 HydrophobicContact CG-CE1 3.8Å
531	Q	97.2	Very high	95	Very high	11 Å²	11	24.2 Å²	24.2	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-26.9	-177.9	-170	162.2	7.1	0	0	113.4	D482 W485 C527 C535	D482-Q531 PolarHBondContact OD1-NE2 3.17Å; W485-Q531 HydrophobicContact CD2-CG 3.95Å; W485-Q531 HydrophobicContact CE3-CB 4.41Å; W485-Q531 HydrophobicContact CE3-CG 4.19Å; W485-Q531 HydrophobicContact CH2-CB 4Å; W485-Q531 HydrophobicContact CH2-CG 4.17Å; W485-Q531 HydrophobicContact CZ2-CB 4.21Å; W485-Q531 HydrophobicContact CZ2-CG 3.92Å; W485-Q531 HydrophobicContact CZ3-CB 4.12Å; W485-Q531 HydrophobicContact CZ3-CG 4.31Å; C527-Q531 WeakPolarHBondContact O-CB 3.45Å; C527-Q531 PolarHBondContact O-N 2.94Å; Q531-C535 WeakPolarHBondContact O-CA 3.19Å; Q531-C535 PolarHBondContact O-N 3.37Å
532	A	97.6	Very high	94.4	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-71	-45.8	169.9	0	0	0	0	0	112.7	W485 W495 T528 I529 R530 D559 I563	W485-A532 HydrophobicContact CH2-CB 3.97Å; W485-A532 HydrophobicContact CZ2-CB 4.33Å; W495-A532 HydrophobicContact CH2-CB 3.79Å; W495-A532 HydrophobicContact CZ2-CB 3.73Å; T528-A532 VanDerWaalsContact O-CB 3.3Å; T528-A532 WeakPolarHBondContact O-CB 3.34Å; T528-A532 PolarHBondContact O-N 3.1Å; I529-A532 PolarHBondContact O-N 3.16Å; R530-A532 VanDerWaalsContact C-N 3.29Å; R530-A532 PolarHBondContact O-N 3.06Å; A532-D559 HydrophobicContact CB-CB 4.28Å; A532-I563 HydrophobicContact CB-CD1 4.14Å
533	A	95.9	Very high	93.4	Very high	5 Å²	5	31 Å²	31	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-74.1	-40.3	-174.5	0	0	0	0	0	113.2	I529 R530 Q556 R560 Y594	I529-A533 WeakPolarHBondContact O-CB 3.43Å; I529-A533 PolarHBondContact O-N 2.93Å; R530-A533 PolarHBondContact O-N 3.24Å; R530-A533 VanDerWaalsContact O-N 3.15Å; A533-Q556 WeakPolarHBondContact O-CG 3.43Å; A533-Q556 PolarHBondContact O-NE2 2.75Å; A533-R560 HydrophobicContact CB-CG 3.8Å; A533-Y594 HydrophobicContact CB-CD1 3.92Å; A533-Y594 HydrophobicContact CB-CG 4.15Å
534	E	93.1	Very high	91.9	Very high	69 Å²	69	34.3 Å²	34.3	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-81.6	-31.7	179.4	-65.3	175.7	169.1	0	0	112.5	R530 H536 Q556 Y594	R530-E534 HydrophobicContact CG-CG 4.26Å; R530-E534 WeakPolarHBondContact CG-OE1 3.46Å; R530-E534 WeakPolarHBondContact CG-OE2 3.21Å; R530-E534 WeakPolarHBondContact O-CB 3.47Å; R530-E534 WeakPolarHBondContact O-CG 3.41Å; R530-E534 PolarHBondContact O-N 3Å; E534-H536 VanDerWaalsContact C-N 3.27Å; E534-H536 PolarHBondContact O-N 3.37Å; E534-H536 IonicContact OE2-CE1 2.76Å; E534-H536 PolarHBondContact OE2-CE1 2.62Å; E534-H536 IonicContact OE2-ND1 3.54Å; E534-H536 IonicContact OE2-NE2 2.82Å; E534-Q556 PolarHBondContact O-NE2 3.29Å; E534-Y594 HydrophobicContact CG-CE1 4.43Å
535	C	92.9	Very high	90.7	Very high	40 Å²	40	44.2 Å²	44.2	27%	0.27	27%	0.267	S	S	.	.			trans	62.1	25.9	-179.1	-148.1	0	0	0	0	114.8	Q531 L548 Q556	Q531-C535 WeakPolarHBondContact O-CA 3.19Å; Q531-C535 PolarHBondContact O-N 3.37Å; C535-L548 HydrophobicContact CB-CD1 3.83Å; C535-L548 HydrophobicContact CB-CD2 4.06Å; C535-Q556 HydrophobicContact CB-CB 4.42Å; C535-Q556 HydrophobicContact CB-CG 4.16Å
536	H	90.5	Very high	89.9	Confident	100 Å²	100	51 Å²	51	46%	0.463	29%	0.293	S	S	.	.	S	Bend	trans	-126.6	155.7	166.5	56.9	62.4	0	0	0	111.8	E534	E534-H536 VanDerWaalsContact C-N 3.27Å; E534-H536 PolarHBondContact O-N 3.37Å; E534-H536 IonicContact OE2-CE1 2.76Å; E534-H536 PolarHBondContact OE2-CE1 2.62Å; E534-H536 IonicContact OE2-ND1 3.54Å; E534-H536 IonicContact OE2-NE2 2.82Å
537	P	92.5	Very high	89.3	Confident	29 Å²	29	56.6 Å²	56.6	19%	0.188	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-59.4	165.9	167.9	-22.7	35.1	0	0	0	112.4	R541	P537-R541 HydrophobicContact CB-CB 3.54Å
538	P	90.4	Very high	88.8	Confident	28 Å²	28	58.3 Å²	58.3	18%	0.182	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-62.9	172.2	168.9	27.7	-34.9	0	0	0	112.3	A478 Y479 D482 R541 G542	A478-P538 HydrophobicContact CB-CB 4.4Å; Y479-P538 HydrophobicContact CD1-CG 3.91Å; Y479-P538 HydrophobicContact CE1-CB 4.27Å; Y479-P538 HydrophobicContact CE1-CG 3.99Å; D482-P538 HydrophobicContact CB-CG 4.06Å; P538-R541 HydrophobicContact CG-CB 4.11Å; P538-R541 HydrophobicContact CG-CG 3.97Å; P538-R541 WeakPolarHBondContact O-CB 3.47Å; P538-R541 PolarHBondContact O-N 3.4Å; P538-R541 VanDerWaalsContact O-N 3.12Å; P538-G542 PolarHBondContact O-N 3.21Å
539	V	87.5	Confident	88.5	Confident	98 Å²	98	61.8 Å²	61.8	59%	0.594	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	147.2	174.8	68.1	0	0	0	0	111.4	Y479 R541 L1247	Y479-V539 WeakPolarHBondContact CE1-O 3.43Å; V539-R541 PolarHBondContact O-N 2.89Å; V539-L1247 HydrophobicContact CB-CD2 4.5Å; V539-L1247 HydrophobicContact CG1-CD2 3.94Å; V539-L1247 HydrophobicContact CG2-CD2 4.06Å
540	G	84.8	Confident	88.4	Confident	33 Å²	33	66.1 Å²	66.1	34%	0.34	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-32.2	-171.6	0	0	0	0	0	115.1
541	R	88.5	Confident	88.2	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.026	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-18.6	179.9	-66.5	-70.7	-172.1	83.5	1.1	114.4	V417 S419 A420 R422 Y479 D482 S483 P537 P538 V539	V417-R541 PolarHBondContact O-NH2 3.46Å; S419-R541 VanDerWaalsContact O-CZ 3.26Å; S419-R541 PolarHBondContact O-NE 2.97Å; S419-R541 PolarHBondContact O-NH2 3.08Å; A420-R541 WeakPolarHBondContact O-CD 3.45Å; A420-R541 PolarHBondContact O-NE 3.46Å; R422-R541 HydrophobicContact CB-CB 4.4Å; R422-R541 WeakPolarHBondContact CD-O 3.45Å; Y479-R541 HydrophobicContact CD1-CG 3.81Å; Y479-R541 HydrophobicContact CE1-CG 3.99Å; Y479-R541 PolarHBondContact O-NH1 2.93Å; D482-R541 WeakPolarHBondContact OD2-CB 3.5Å; D482-R541 WeakPolarHBondContact OD2-CD 3.47Å; D482-R541 WeakPolarHBondContact OD2-CG 3.19Å; D482-R541 IonicContact OD2-CZ 3.85Å; D482-R541 IonicContact OD2-NH1 3.09Å; D482-R541 PolarHBondContact OD2-NH1 3.13Å; S483-R541 PolarHBondContact OG-NH1 2.9Å; S483-R541 PolarHBondContact OG-NH2 3.22Å; P537-R541 HydrophobicContact CB-CB 3.54Å; P538-R541 HydrophobicContact CG-CB 4.11Å; P538-R541 HydrophobicContact CG-CG 3.97Å; P538-R541 WeakPolarHBondContact O-CB 3.47Å; P538-R541 PolarHBondContact O-N 3.4Å; P538-R541 VanDerWaalsContact O-N 3.12Å; V539-R541 PolarHBondContact O-N 2.89Å
542	G	85.6	Confident	88.1	Confident	44 Å²	44	73.2 Å²	73.2	45%	0.454	43%	0.425	S	S	.	.			trans	-71.8	149.8	-175.3	0	0	0	0	0	115	P538	P538-G542 PolarHBondContact O-N 3.21Å
543	T	77.6	Confident	87.9	Confident	102 Å²	102	78.7 Å²	78.7	63%	0.626	45%	0.449	S	S	*	.			trans	-97.6	124.2	166.1	46.1	0	0	0	0	109.8	K545 R546	T543-K545 PolarHBondContact O-N 2.93Å; T543-K545 VanDerWaalsContact O-N 3.1Å; T543-R546 PolarHBondContact O-N 3.24Å
544	G	67.2	Low	87.9	Confident	82 Å²	82	84.3 Å²	84.3	85%	0.845	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	111.4	-163.6	0	0	0	0	0	115.1	R546	G544-R546 VanDerWaalsContact C-N 3.25Å; G544-R546 PolarHBondContact O-N 3.49Å
545	K	72.1	Confident	88.1	Confident	212 Å²	212	83.5 Å²	83.5	92%	0.922	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	40.6	176.5	-60.4	-172.4	179.3	-178.5	0	114.2	T543 V547	T543-K545 PolarHBondContact O-N 2.93Å; T543-K545 VanDerWaalsContact O-N 3.1Å; K545-V547 PolarHBondContact O-N 3.34Å
546	R	82.5	Confident	88.2	Confident	145 Å²	145	83.5 Å²	83.5	55%	0.547	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-57.6	128.7	172.1	178	-179	167.4	-145.9	-16.7	110.9	T543 G544 E552	T543-R546 PolarHBondContact O-N 3.24Å; G544-R546 VanDerWaalsContact C-N 3.25Å; G544-R546 PolarHBondContact O-N 3.49Å; R546-E552 IonicContact CZ-OE1 3.1Å; R546-E552 IonicContact NH1-OE1 3.29Å; R546-E552 VanDerWaalsContact NH2-CD 3.31Å; R546-E552 IonicContact NH2-OE1 2.73Å; R546-E552 PolarHBondContact NH2-OE1 2.8Å; R546-E552 IonicContact NH2-OE2 2.6Å; R546-E552 PolarHBondContact NH2-OE2 3.4Å
547	V	85.4	Confident	88.5	Confident	118 Å²	118	83.6 Å²	83.6	72%	0.715	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-79.5	128.1	176	-177.6	0	0	0	0	110.9	K545	K545-V547 PolarHBondContact O-N 3.34Å
548	L	88.8	Confident	88.7	Confident	38 Å²	38	85.8 Å²	85.8	20%	0.199	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-67	135.1	175.4	-58.8	177	0	0	0	112.1	C535 E552 K553 Q556	C535-L548 HydrophobicContact CB-CD1 3.83Å; C535-L548 HydrophobicContact CB-CD2 4.06Å; L548-E552 HydrophobicContact CB-CB 4.32Å; L548-E552 HydrophobicContact CD2-CB 4.44Å; L548-K553 HydrophobicContact CB-CD 4.46Å; L548-K553 HydrophobicContact CB-CG 3.69Å; L548-K553 HydrophobicContact CD1-CG 4.28Å; L548-Q556 VanDerWaalsContact CD1-OE1 3.27Å
549	T	92.7	Very high	89	Confident	73 Å²	73	85.3 Å²	85.3	45%	0.448	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-70.3	162.8	173.5	64.1	0	0	0	0	112	K551 E552 K553	T549-K551 PolarHBondContact O-N 2.95Å; T549-E552 VanDerWaalsContact CB-OE2 3.25Å; T549-E552 WeakPolarHBondContact CB-OE2 3.45Å; T549-E552 VanDerWaalsContact CG2-OE2 3.26Å; T549-E552 WeakPolarHBondContact CG2-OE2 3.26Å; T549-E552 PolarHBondContact N-OE2 3.16Å; T549-E552 PolarHBondContact O-N 3.35Å; T549-E552 VanDerWaalsContact O-N 3.16Å; T549-E552 VanDerWaalsContact OG1-CD 3.26Å; T549-E552 WeakPolarHBondContact OG1-CG 3.47Å; T549-E552 PolarHBondContact OG1-N 2.8Å; T549-E552 PolarHBondContact OG1-OE2 3.3Å; T549-K553 WeakPolarHBondContact O-CG 3.37Å; T549-K553 PolarHBondContact O-N 3.43Å
550	A	95.1	Very high	89.5	Confident	91 Å²	91	84.7 Å²	84.7	75%	0.752	47%	0.465	S	S	*	.	H	α-helix	trans	-59.5	-27.2	176.6	0	0	0	0	0	113.8	K554	A550-K554 PolarHBondContact O-N 3.24Å
551	K	95.2	Very high	90.1	Very high	169 Å²	169	85.1 Å²	85.1	74%	0.735	46%	0.461	S	S	*	.	H	α-helix	trans	-73	-49.7	173.4	-171.9	-170.7	174.9	-167	0	110.9	T549 K553 K554 T555	T549-K551 PolarHBondContact O-N 2.95Å; K551-K553 VanDerWaalsContact C-N 3.34Å; K551-K553 PolarHBondContact O-N 2.71Å; K551-K554 PolarHBondContact O-N 3.1Å; K551-K554 VanDerWaalsContact O-N 3.13Å; K551-T555 PolarHBondContact O-N 3.25Å; K551-T555 PolarHBondContact O-OG1 2.89Å
552	E	93.6	Very high	90.6	Very high	53 Å²	53	88.8 Å²	88.8	25%	0.248	48%	0.477	C	S	.	.	H	α-helix	trans	-59.6	-44.3	179.5	-70.7	159.1	144.5	0	0	111	R546 L548 T549 K554 T555 Q556	R546-E552 IonicContact CZ-OE1 3.1Å; R546-E552 IonicContact NH1-OE1 3.29Å; R546-E552 VanDerWaalsContact NH2-CD 3.31Å; R546-E552 IonicContact NH2-OE1 2.73Å; R546-E552 PolarHBondContact NH2-OE1 2.8Å; R546-E552 IonicContact NH2-OE2 2.6Å; R546-E552 PolarHBondContact NH2-OE2 3.4Å; L548-E552 HydrophobicContact CB-CB 4.32Å; L548-E552 HydrophobicContact CD2-CB 4.44Å; T549-E552 VanDerWaalsContact CB-OE2 3.25Å; T549-E552 WeakPolarHBondContact CB-OE2 3.45Å; T549-E552 VanDerWaalsContact CG2-OE2 3.26Å; T549-E552 WeakPolarHBondContact CG2-OE2 3.26Å; T549-E552 PolarHBondContact N-OE2 3.16Å; T549-E552 PolarHBondContact O-N 3.35Å; T549-E552 VanDerWaalsContact O-N 3.16Å; T549-E552 VanDerWaalsContact OG1-CD 3.26Å; T549-E552 WeakPolarHBondContact OG1-CG 3.47Å; T549-E552 PolarHBondContact OG1-N 2.8Å; T549-E552 PolarHBondContact OG1-OE2 3.3Å; E552-K554 VanDerWaalsContact C-N 3.33Å; E552-K554 PolarHBondContact O-N 2.9Å; E552-T555 PolarHBondContact O-N 3.13Å; E552-Q556 WeakPolarHBondContact O-CB 3.45Å; E552-Q556 PolarHBondContact O-N 3.45Å
553	K	94.4	Very high	91.2	Very high	117 Å²	117	86.7 Å²	86.7	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-61	-35.8	174.2	-69.4	-170.1	177.8	-164.1	0	113.9	L548 T549 K551 L557	L548-K553 HydrophobicContact CB-CD 4.46Å; L548-K553 HydrophobicContact CB-CG 3.69Å; L548-K553 HydrophobicContact CD1-CG 4.28Å; T549-K553 WeakPolarHBondContact O-CG 3.37Å; T549-K553 PolarHBondContact O-N 3.43Å; K551-K553 VanDerWaalsContact C-N 3.34Å; K551-K553 PolarHBondContact O-N 2.71Å; K553-L557 PolarHBondContact O-N 3.04Å
554	K	96.5	Very high	92.1	Very high	122 Å²	122	81.8 Å²	81.8	53%	0.53	43%	0.425	S	S	.	.	H	α-helix	trans	-67.8	-47.6	174.5	-163.9	-163.3	179.2	-83.8	0	110.4	A550 K551 E552 Q556 L557 D558	A550-K554 PolarHBondContact O-N 3.24Å; K551-K554 PolarHBondContact O-N 3.1Å; K551-K554 VanDerWaalsContact O-N 3.13Å; E552-K554 VanDerWaalsContact C-N 3.33Å; E552-K554 PolarHBondContact O-N 2.9Å; K554-Q556 VanDerWaalsContact C-N 3.33Å; K554-Q556 PolarHBondContact O-N 3.45Å; K554-L557 PolarHBondContact O-N 3.35Å; K554-L557 VanDerWaalsContact O-N 3.14Å; K554-D558 IonicContact NZ-OD1 2.75Å; K554-D558 PolarHBondContact NZ-OD1 3.42Å; K554-D558 IonicContact NZ-OD2 3.2Å; K554-D558 PolarHBondContact NZ-OD2 3.09Å; K554-D558 PolarHBondContact O-N 2.8Å
555	T	95.8	Very high	93.6	Very high	53 Å²	53	83.4 Å²	83.4	33%	0.325	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-42.1	177.9	-64.2	0	0	0	0	111.7	K551 E552 L557 D558 D559	K551-T555 PolarHBondContact O-N 3.25Å; K551-T555 PolarHBondContact O-OG1 2.89Å; E552-T555 PolarHBondContact O-N 3.13Å; T555-L557 VanDerWaalsContact C-N 3.32Å; T555-L557 PolarHBondContact O-N 2.95Å; T555-D558 PolarHBondContact O-N 3.24Å; T555-D559 WeakPolarHBondContact CG2-OD2 3.38Å; T555-D559 VanDerWaalsContact O-CB 3.25Å; T555-D559 WeakPolarHBondContact O-CB 3.46Å; T555-D559 PolarHBondContact O-N 3.16Å; T555-D559 VanDerWaalsContact O-OD2 3.13Å
556	Q	96	Very high	94.8	Very high	40 Å²	40	75.2 Å²	75.2	19%	0.187	38%	0.377	C	S	.	.	H	α-helix	trans	-56.8	-41.9	173.6	-177.2	-177.7	25.6	0	0	112.7	A533 E534 C535 L548 E552 K554 R560	A533-Q556 WeakPolarHBondContact O-CG 3.43Å; A533-Q556 PolarHBondContact O-NE2 2.75Å; E534-Q556 PolarHBondContact O-NE2 3.29Å; C535-Q556 HydrophobicContact CB-CB 4.42Å; C535-Q556 HydrophobicContact CB-CG 4.16Å; L548-Q556 VanDerWaalsContact CD1-OE1 3.27Å; E552-Q556 WeakPolarHBondContact O-CB 3.45Å; E552-Q556 PolarHBondContact O-N 3.45Å; K554-Q556 VanDerWaalsContact C-N 3.33Å; K554-Q556 PolarHBondContact O-N 3.45Å; Q556-R560 WeakPolarHBondContact O-CB 3.44Å; Q556-R560 WeakPolarHBondContact O-CG 3.36Å; Q556-R560 PolarHBondContact O-N 3.09Å
557	L	96.1	Very high	95.6	Very high	101 Å²	101	68.3 Å²	68.3	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-71.1	-49.3	176.4	-176.4	63.3	0	0	0	111.6	K553 K554 T555 D559 R560 T561	K553-L557 PolarHBondContact O-N 3.04Å; K554-L557 PolarHBondContact O-N 3.35Å; K554-L557 VanDerWaalsContact O-N 3.14Å; T555-L557 VanDerWaalsContact C-N 3.32Å; T555-L557 PolarHBondContact O-N 2.95Å; L557-D559 PolarHBondContact O-N 2.76Å; L557-R560 PolarHBondContact O-N 3.34Å; L557-T561 PolarHBondContact O-N 2.68Å; L557-T561 PolarHBondContact O-OG1 3.39Å
558	D	97.2	Very high	96.2	Very high	76 Å²	76	62.7 Å²	62.7	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-54.7	-40.6	176.5	-62.8	-33.3	0	0	0	110.7	K554 T555 K562	K554-D558 IonicContact NZ-OD1 2.75Å; K554-D558 PolarHBondContact NZ-OD1 3.42Å; K554-D558 IonicContact NZ-OD2 3.2Å; K554-D558 PolarHBondContact NZ-OD2 3.09Å; K554-D558 PolarHBondContact O-N 2.8Å; T555-D558 PolarHBondContact O-N 3.24Å; D558-K562 WeakPolarHBondContact O-CB 3.38Å; D558-K562 PolarHBondContact O-N 3.28Å
559	D	97.5	Very high	96.6	Very high	18 Å²	18	63.3 Å²	63.3	10%	0.096	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-50.7	175.7	-74.4	-37.5	0	0	0	111.8	K493 W495 A532 T555 L557 T561 K562 I563	K493-D559 IonicContact NZ-OD1 3.58Å; K493-D559 IonicContact NZ-OD2 2.98Å; K493-D559 PolarHBondContact NZ-OD2 2.7Å; W495-D559 HydrophobicContact CH2-CB 4.18Å; A532-D559 HydrophobicContact CB-CB 4.28Å; T555-D559 WeakPolarHBondContact CG2-OD2 3.38Å; T555-D559 VanDerWaalsContact O-CB 3.25Å; T555-D559 WeakPolarHBondContact O-CB 3.46Å; T555-D559 PolarHBondContact O-N 3.16Å; T555-D559 VanDerWaalsContact O-OD2 3.13Å; L557-D559 PolarHBondContact O-N 2.76Å; D559-T561 VanDerWaalsContact C-N 3.32Å; D559-T561 PolarHBondContact O-N 3.16Å; D559-K562 PolarHBondContact O-N 2.91Å; D559-K562 VanDerWaalsContact O-N 3.14Å; D559-I563 WeakPolarHBondContact O-CB 3.2Å; D559-I563 WeakPolarHBondContact O-CD1 3.29Å; D559-I563 VanDerWaalsContact O-CG1 3.24Å; D559-I563 WeakPolarHBondContact O-CG1 3.42Å; D559-I563 PolarHBondContact O-N 3.3Å
560	R	97.6	Very high	96.9	Very high	85 Å²	85	60 Å²	60	32%	0.321	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-38.2	179.8	-78.3	-175.2	72	-175.4	-0.6	112.4	A533 Q556 L557 T564 Y594 F595	A533-R560 HydrophobicContact CB-CG 3.8Å; Q556-R560 WeakPolarHBondContact O-CB 3.44Å; Q556-R560 WeakPolarHBondContact O-CG 3.36Å; Q556-R560 PolarHBondContact O-N 3.09Å; L557-R560 PolarHBondContact O-N 3.34Å; R560-T564 WeakPolarHBondContact O-CB 3.2Å; R560-T564 PolarHBondContact O-N 2.87Å; R560-T564 PolarHBondContact O-OG1 3.19Å; R560-Y594 PolarHBondContact NE-O 3.24Å; R560-Y594 PolarHBondContact NH2-O 2.78Å; R560-F595 PolarHBondContact NH2-O 3.18Å
561	T	97.5	Very high	97.1	Very high	41 Å²	41	55.8 Å²	55.8	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-51.6	171.8	-59.2	0	0	0	0	110.7	L557 D559 I563 T564 E565 I599	L557-T561 PolarHBondContact O-N 2.68Å; L557-T561 PolarHBondContact O-OG1 3.39Å; D559-T561 VanDerWaalsContact C-N 3.32Å; D559-T561 PolarHBondContact O-N 3.16Å; T561-I563 PolarHBondContact O-N 2.68Å; T561-T564 PolarHBondContact O-N 3.1Å; T561-E565 HydrophobicContact CG2-CG 4.44Å; T561-E565 WeakPolarHBondContact O-CG 3.41Å; T561-E565 PolarHBondContact O-N 3.38Å; T561-I599 HydrophobicContact CG2-CD1 3.85Å
562	K	97.4	Very high	97.2	Very high	84 Å²	84	48.2 Å²	48.2	37%	0.365	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-42.9	178.7	-176.9	-170.4	171.5	-159.5	0	112.9	K493 W495 D558 D559 L566	K493-K562 PolarHBondContact O-NZ 2.86Å; W495-K562 HydrophobicContact CE3-CD 4.04Å; W495-K562 HydrophobicContact CE3-CG 4.43Å; W495-K562 HydrophobicContact CZ3-CD 3.98Å; W495-K562 HydrophobicContact CZ3-CG 4.48Å; D558-K562 WeakPolarHBondContact O-CB 3.38Å; D558-K562 PolarHBondContact O-N 3.28Å; D559-K562 PolarHBondContact O-N 2.91Å; D559-K562 VanDerWaalsContact O-N 3.14Å; K562-L566 WeakPolarHBondContact O-CB 3.42Å; K562-L566 PolarHBondContact O-N 3.21Å
563	I	98.4	Very high	97.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-49.3	175.5	-70.2	159.3	0	0	0	109.6	W495 I529 A532 D559 T561 L566 F567 F595	W495-I563 HydrophobicContact CD2-CG1 4.18Å; W495-I563 HydrophobicContact CE3-CG1 3.72Å; W495-I563 HydrophobicContact CH2-CD1 3.69Å; W495-I563 HydrophobicContact CH2-CG1 3.72Å; W495-I563 HydrophobicContact CZ2-CD1 4.05Å; W495-I563 HydrophobicContact CZ2-CG1 4.15Å; W495-I563 HydrophobicContact CZ3-CD1 3.98Å; W495-I563 HydrophobicContact CZ3-CG1 3.48Å; W495-I563 VanDerWaalsContact CZ3-CG1 3.48Å; I529-I563 HydrophobicContact CG1-CG1 4.48Å; I529-I563 HydrophobicContact CG2-CD1 4.18Å; I529-I563 HydrophobicContact CG2-CG2 3.85Å; A532-I563 HydrophobicContact CB-CD1 4.14Å; D559-I563 WeakPolarHBondContact O-CB 3.2Å; D559-I563 WeakPolarHBondContact O-CD1 3.29Å; D559-I563 VanDerWaalsContact O-CG1 3.24Å; D559-I563 WeakPolarHBondContact O-CG1 3.42Å; D559-I563 PolarHBondContact O-N 3.3Å; T561-I563 PolarHBondContact O-N 2.68Å; I563-L566 PolarHBondContact O-N 3.08Å; I563-F567 HydrophobicContact CG2-CD2 4.11Å; I563-F567 WeakPolarHBondContact O-CB 3.18Å; I563-F567 WeakPolarHBondContact O-CD2 3.41Å; I563-F567 PolarHBondContact O-N 3.14Å; I563-F595 HydrophobicContact CG2-CD1 4.05Å; I563-F595 HydrophobicContact CG2-CE1 4Å
564	T	98.3	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-49.4	-176.2	-52.6	0	0	0	0	111.9	R560 T561 L566 A568 F595 D596 I599	R560-T564 WeakPolarHBondContact O-CB 3.2Å; R560-T564 PolarHBondContact O-N 2.87Å; R560-T564 PolarHBondContact O-OG1 3.19Å; T561-T564 PolarHBondContact O-N 3.1Å; T564-L566 VanDerWaalsContact C-N 3.28Å; T564-L566 PolarHBondContact O-N 3.2Å; T564-A568 WeakPolarHBondContact O-CB 3.12Å; T564-A568 PolarHBondContact O-N 2.76Å; T564-F595 HydrophobicContact CG2-CB 3.82Å; T564-F595 HydrophobicContact CG2-CD2 4.06Å; T564-F595 HydrophobicContact CG2-CG 3.91Å; T564-F595 VanDerWaalsContact OG1-CA 3.28Å; T564-F595 WeakPolarHBondContact OG1-CA 3.47Å; T564-D596 PolarHBondContact OG1-N 3.03Å; T564-I599 HydrophobicContact CG2-CB 3.87Å; T564-I599 HydrophobicContact CG2-CD1 4.05Å; T564-I599 HydrophobicContact CG2-CG1 4.49Å; T564-I599 HydrophobicContact CG2-CG2 4.04Å
565	E	97.6	Very high	97.7	Very high	115 Å²	115	39 Å²	39	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-58.8	-39.7	-179.6	-71.2	-177.2	158.8	0	0	112.2	T561 I599	T561-E565 HydrophobicContact CG2-CG 4.44Å; T561-E565 WeakPolarHBondContact O-CG 3.41Å; T561-E565 PolarHBondContact O-N 3.38Å; E565-I599 HydrophobicContact CG-CG2 3.94Å
566	L	98	Very high	97.8	Very high	41 Å²	41	38.5 Å²	38.5	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-72	-57.7	177.8	178.7	62.9	0	0	0	112.1	W495 K562 I563 T564 V569 A570	W495-L566 HydrophobicContact CB-CD2 3.67Å; K562-L566 WeakPolarHBondContact O-CB 3.42Å; K562-L566 PolarHBondContact O-N 3.21Å; I563-L566 PolarHBondContact O-N 3.08Å; T564-L566 VanDerWaalsContact C-N 3.28Å; T564-L566 PolarHBondContact O-N 3.2Å; L566-V569 PolarHBondContact O-N 3.1Å; L566-A570 PolarHBondContact O-N 3.2Å
567	F	98.6	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-80.5	-20.9	-170	-71	-72.7	0	0	0	113.9	W495 N499 M525 I529 I563 V569 A570 L571 L574 L591 F595	W495-F567 HydrophobicContact CB-CE2 3.78Å; W495-F567 HydrophobicContact CB-CZ 3.98Å; W495-F567 HydrophobicContact CG-CE2 4.16Å; N499-F567 HydrophobicContact CB-CE1 4.32Å; M525-F567 HydrophobicContact CE-CE1 4.06Å; M525-F567 HydrophobicContact CE-CZ 4.37Å; M525-F567 HydrophobicContact CG-CZ 4.18Å; M525-F567 HydrophobicContact SD-CE1 3.75Å; M525-F567 HydrophobicContact SD-CZ 3.56Å; M525-F567 VanDerWaalsContact SD-CZ 3.56Å; I529-F567 HydrophobicContact CD1-CD2 4Å; I529-F567 HydrophobicContact CD1-CE2 3.43Å; I529-F567 VanDerWaalsContact CD1-CE2 3.43Å; I529-F567 HydrophobicContact CD1-CZ 3.81Å; I529-F567 HydrophobicContact CG1-CE2 4.34Å; I563-F567 HydrophobicContact CG2-CD2 4.11Å; I563-F567 WeakPolarHBondContact O-CB 3.18Å; I563-F567 WeakPolarHBondContact O-CD2 3.41Å; I563-F567 PolarHBondContact O-N 3.14Å; F567-V569 PolarHBondContact O-N 2.84Å; F567-A570 HydrophobicContact CD1-CB 4.38Å; F567-A570 PolarHBondContact O-N 3.22Å; F567-L571 WeakPolarHBondContact O-CB 3.35Å; F567-L571 PolarHBondContact O-N 3.28Å; F567-L574 HydrophobicContact CD1-CD1 4.21Å; F567-L574 HydrophobicContact CE1-CD1 4.13Å; F567-L591 HydrophobicContact CD1-CD1 3.91Å; F567-L591 HydrophobicContact CE1-CD1 4.27Å; F567-L591 HydrophobicContact CG-CD1 4.18Å; F567-F595 HydrophobicContact CB-CE1 3.83Å; F567-F595 HydrophobicContact CB-CZ 3.55Å
568	A	98.1	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-35.7	166.6	0	0	0	0	0	111.6	T564 Y600 L605 H608	T564-A568 WeakPolarHBondContact O-CB 3.12Å; T564-A568 PolarHBondContact O-N 2.76Å; A568-Y600 HydrophobicContact CB-CD1 4.37Å; A568-Y600 HydrophobicContact CB-CE1 3.64Å; A568-L605 HydrophobicContact CB-CD1 3.84Å; A568-H608 VanDerWaalsContact O-CB 3.28Å; A568-H608 WeakPolarHBondContact O-CB 3.34Å
569	V	98.2	Very high	98	Very high	51 Å²	51	34.3 Å²	34.3	31%	0.309	17%	0.171	S	C	.	.	H	α-helix	trans	-83.9	-39.2	177.2	176.4	0	0	0	0	112.3	L566 F567 Q573 L605	L566-V569 PolarHBondContact O-N 3.1Å; F567-V569 PolarHBondContact O-N 2.84Å; V569-Q573 PolarHBondContact O-NE2 3.34Å; V569-L605 HydrophobicContact CG2-CD2 4.08Å
570	A	98.1	Very high	97.9	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-89.3	-34.2	-171.4	0	0	0	0	0	115.5	N499 L503 L566 F567 P572 Q573 L574	N499-A570 WeakPolarHBondContact OD1-CB 3.23Å; L503-A570 HydrophobicContact CD1-CB 4.36Å; L566-A570 PolarHBondContact O-N 3.2Å; F567-A570 HydrophobicContact CD1-CB 4.38Å; F567-A570 PolarHBondContact O-N 3.22Å; A570-P572 VanDerWaalsContact C-CD 3.48Å; A570-Q573 WeakPolarHBondContact O-CA 3.26Å; A570-Q573 VanDerWaalsContact O-CB 3.3Å; A570-Q573 WeakPolarHBondContact O-CB 3.46Å; A570-Q573 PolarHBondContact O-N 3.12Å; A570-L574 PolarHBondContact O-N 3.45Å
571	L	98.5	Very high	97.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-40.3	-177.6	179.1	62.4	0	0	0	113.9	F567 Q573 L574 L575 L588 L591 P592 L612	F567-L571 WeakPolarHBondContact O-CB 3.35Å; F567-L571 PolarHBondContact O-N 3.28Å; L571-Q573 PolarHBondContact O-N 3.32Å; L571-Q573 VanDerWaalsContact O-N 3.14Å; L571-L574 PolarHBondContact O-N 2.97Å; L571-L575 HydrophobicContact CD1-CD1 3.94Å; L571-L575 HydrophobicContact CD1-CD2 4.26Å; L571-L575 HydrophobicContact CD1-CG 3.72Å; L571-L575 HydrophobicContact CG-CD1 3.94Å; L571-L575 HydrophobicContact CG-CG 4.18Å; L571-L575 WeakPolarHBondContact O-CB 3.18Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 3.34Å; L571-L588 HydrophobicContact CD1-CB 3.91Å; L571-L588 HydrophobicContact CD1-CD2 4.25Å; L571-L588 VanDerWaalsContact CD1-O 3.26Å; L571-L588 WeakPolarHBondContact CD1-O 3.42Å; L571-L591 HydrophobicContact CD1-CD1 4.35Å; L571-L591 HydrophobicContact CD2-CB 4.35Å; L571-P592 HydrophobicContact CD2-CG 3.5Å; L571-P592 VanDerWaalsContact CD2-CG 3.5Å; L571-L612 HydrophobicContact CD2-CD1 3.66Å; L571-L612 HydrophobicContact CD2-CD2 4.21Å; L571-L612 HydrophobicContact CG-CD1 3.82Å
572	P	98.5	Very high	97.9	Very high	10 Å²	10	37.1 Å²	37.1	7%	0.065	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-19.4	174.4	-22.2	33.8	0	0	0	114.3	A570 A576 A611 L612	A570-P572 VanDerWaalsContact C-CD 3.48Å; P572-A576 WeakPolarHBondContact O-CB 3.43Å; P572-A576 PolarHBondContact O-N 3.04Å; P572-A611 HydrophobicContact CB-CB 3.83Å; P572-A611 HydrophobicContact CG-CB 4.17Å; P572-L612 HydrophobicContact CG-CB 4.05Å
573	Q	98.3	Very high	97.8	Very high	100 Å²	100	38 Å²	38	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-90.3	-43.1	178.5	-54.4	175.2	67.8	0	0	110.5	L503 V569 A570 L571 A576 K577	L503-Q573 HydrophobicContact CD1-CB 4.21Å; L503-Q573 HydrophobicContact CD2-CB 4.14Å; V569-Q573 PolarHBondContact O-NE2 3.34Å; A570-Q573 WeakPolarHBondContact O-CA 3.26Å; A570-Q573 VanDerWaalsContact O-CB 3.3Å; A570-Q573 WeakPolarHBondContact O-CB 3.46Å; A570-Q573 PolarHBondContact O-N 3.12Å; L571-Q573 PolarHBondContact O-N 3.32Å; L571-Q573 VanDerWaalsContact O-N 3.14Å; Q573-A576 WeakPolarHBondContact O-CB 3.38Å; Q573-A576 PolarHBondContact O-N 3.4Å; Q573-K577 PolarHBondContact O-N 3.16Å
574	L	98.3	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-51.7	172.1	-69	165.2	0	0	0	110.7	L502 L503 M525 F567 A570 L571 A576 K577 Y578 L588	L502-L574 HydrophobicContact CB-CD2 3.72Å; L502-L574 HydrophobicContact CD1-CD2 4.04Å; L503-L574 HydrophobicContact CD1-CD2 4.32Å; L503-L574 HydrophobicContact CD1-CG 4.29Å; L503-L574 HydrophobicContact CD2-CD2 3.68Å; L503-L574 HydrophobicContact CD2-CG 4.04Å; L503-L574 HydrophobicContact CG-CD2 3.77Å; L503-L574 HydrophobicContact CG-CG 4.23Å; M525-L574 HydrophobicContact CE-CD1 4.39Å; F567-L574 HydrophobicContact CD1-CD1 4.21Å; F567-L574 HydrophobicContact CE1-CD1 4.13Å; A570-L574 PolarHBondContact O-N 3.45Å; L571-L574 PolarHBondContact O-N 2.97Å; L574-A576 VanDerWaalsContact C-N 3.27Å; L574-A576 PolarHBondContact O-N 3.07Å; L574-K577 PolarHBondContact O-N 3.13Å; L574-Y578 HydrophobicContact CD2-CE2 4.03Å; L574-Y578 WeakPolarHBondContact O-CD2 3.46Å; L574-Y578 PolarHBondContact O-N 3.2Å; L574-L588 HydrophobicContact CB-CD1 3.91Å; L574-L588 HydrophobicContact CB-CD2 3.95Å; L574-L588 HydrophobicContact CD1-CD2 3.89Å; L574-L588 HydrophobicContact CG-CD2 4.42Å
575	L	98.5	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-35.6	175.2	-68.6	176.8	0	0	0	112	L571 S579 V585 L588 L589 L612 Q615 I616 I619	L571-L575 HydrophobicContact CD1-CD1 3.94Å; L571-L575 HydrophobicContact CD1-CD2 4.26Å; L571-L575 HydrophobicContact CD1-CG 3.72Å; L571-L575 HydrophobicContact CG-CD1 3.94Å; L571-L575 HydrophobicContact CG-CG 4.18Å; L571-L575 WeakPolarHBondContact O-CB 3.18Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 3.34Å; L575-S579 VanDerWaalsContact O-CA 3.29Å; L575-S579 WeakPolarHBondContact O-CA 3.34Å; L575-S579 WeakPolarHBondContact O-CB 3.48Å; L575-S579 PolarHBondContact O-N 2.97Å; L575-V585 HydrophobicContact CD2-CB 4.29Å; L575-V585 HydrophobicContact CD2-CG1 4.28Å; L575-L588 HydrophobicContact CD2-CB 3.63Å; L575-L588 HydrophobicContact CD2-CD1 4.17Å; L575-L588 HydrophobicContact CG-CB 4.47Å; L575-L589 HydrophobicContact CD1-CD2 4.29Å; L575-L589 HydrophobicContact CD2-CD2 4.48Å; L575-L589 HydrophobicContact CD2-CG 4.3Å; L575-L612 HydrophobicContact CD1-CD1 3.64Å; L575-Q615 HydrophobicContact CB-CB 4.15Å; L575-Q615 HydrophobicContact CD1-CB 4.48Å; L575-I616 HydrophobicContact CD1-CG1 4.4Å; L575-I619 HydrophobicContact CB-CD1 4.15Å; L575-I619 HydrophobicContact CD1-CD1 4.41Å; L575-I619 HydrophobicContact CD2-CD1 3.84Å; L575-I619 HydrophobicContact CG-CD1 4.35Å
576	A	98	Very high	97.8	Very high	42 Å²	42	33.7 Å²	33.7	35%	0.347	19%	0.187	S	C	.	.	H	α-helix	trans	-63.5	-44.7	175.4	0	0	0	0	0	112.3	P572 Q573 L574 S579	P572-A576 WeakPolarHBondContact O-CB 3.43Å; P572-A576 PolarHBondContact O-N 3.04Å; Q573-A576 WeakPolarHBondContact O-CB 3.38Å; Q573-A576 PolarHBondContact O-N 3.4Å; L574-A576 VanDerWaalsContact C-N 3.27Å; L574-A576 PolarHBondContact O-N 3.07Å; A576-S579 PolarHBondContact O-OG 2.74Å
577	K	97.6	Very high	97.8	Very high	104 Å²	104	32.9 Å²	32.9	45%	0.452	18%	0.183	S	C	.	.	H	α-helix	trans	-64.4	-48.2	178.3	179.6	176.9	169.4	-173.7	0	111.7	L502 E518 Q573 L574	L502-K577 PolarHBondContact O-NZ 2.96Å; E518-K577 IonicContact OE1-NZ 3.54Å; E518-K577 PolarHBondContact OE1-NZ 2.85Å; Q573-K577 PolarHBondContact O-N 3.16Å; L574-K577 PolarHBondContact O-N 3.13Å
578	Y	97.9	Very high	97.8	Very high	11 Å²	11	32.9 Å²	32.9	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-98	7.8	-171	-55.8	-69.3	0	0	0	114.7	L502 E518 I522 L574 V580 D581 K584 V585 L588	L502-Y578 HydrophobicContact CB-CE2 4.47Å; L502-Y578 HydrophobicContact CD2-CE2 4.49Å; L502-Y578 WeakPolarHBondContact CD2-OH 3.42Å; L502-Y578 PolarHBondContact O-OH 3.41Å; E518-Y578 HydrophobicContact CB-CE1 4.15Å; E518-Y578 VanDerWaalsContact CD-OH 3.27Å; E518-Y578 PolarHBondContact OE1-OH 2.89Å; I522-Y578 HydrophobicContact CD1-CD2 3.97Å; I522-Y578 HydrophobicContact CD1-CE2 3.94Å; I522-Y578 HydrophobicContact CD1-CG 4.39Å; L574-Y578 HydrophobicContact CD2-CE2 4.03Å; L574-Y578 WeakPolarHBondContact O-CD2 3.46Å; L574-Y578 PolarHBondContact O-N 3.2Å; Y578-V580 PolarHBondContact O-N 3.25Å; Y578-D581 PolarHBondContact O-N 3.32Å; Y578-K584 HydrophobicContact CD1-CD 3.64Å; Y578-K584 HydrophobicContact CE1-CD 4.2Å; Y578-K584 HydrophobicContact CG-CB 4.45Å; Y578-K584 HydrophobicContact CG-CD 4.15Å; Y578-V585 WeakPolarHBondContact O-CG1 3.39Å; Y578-L588 HydrophobicContact CD2-CD1 3.93Å
579	S	97	Very high	97.8	Very high	13 Å²	13	33 Å²	33	9%	0.091	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-9.5	-171	57.8	0	0	0	0	118.3	L575 A576 H623	L575-S579 VanDerWaalsContact O-CA 3.29Å; L575-S579 WeakPolarHBondContact O-CA 3.34Å; L575-S579 WeakPolarHBondContact O-CB 3.48Å; L575-S579 PolarHBondContact O-N 2.97Å; A576-S579 PolarHBondContact O-OG 2.74Å; S579-H623 PolarHBondContact O-NE2 3.2Å
580	V	96.2	Very high	97.8	Very high	126 Å²	126	32.4 Å²	32.4	76%	0.764	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-20.7	179	-179.8	0	0	0	0	112	Y578 H623	Y578-V580 PolarHBondContact O-N 3.25Å; V580-H623 PolarHBondContact O-CE1 2.95Å
581	D	97.7	Very high	97.8	Very high	43 Å²	43	32.2 Å²	32.2	23%	0.23	18%	0.176	C	C	.	.			trans	-95.6	121.5	-173	-174.6	-63.7	0	0	0	111.4	Y578 E583 K584 V585	Y578-D581 PolarHBondContact O-N 3.32Å; D581-E583 PolarHBondContact OD1-N 3.14Å; D581-E583 VanDerWaalsContact OD1-N 3.09Å; D581-K584 HydrophobicContact CB-CB 4.07Å; D581-K584 HydrophobicContact CB-CD 4Å; D581-K584 HydrophobicContact CB-CG 4.24Å; D581-K584 WeakPolarHBondContact OD1-CB 3.4Å; D581-K584 WeakPolarHBondContact OD1-CG 3.33Å; D581-K584 PolarHBondContact OD1-N 3.01Å; D581-K584 IonicContact OD1-NZ 2.72Å; D581-K584 IonicContact OD2-NZ 3.45Å; D581-K584 PolarHBondContact OD2-NZ 2.78Å; D581-V585 WeakPolarHBondContact O-CG1 3.21Å; D581-V585 VanDerWaalsContact O-CG2 3.28Å; D581-V585 WeakPolarHBondContact O-CG2 3.36Å; D581-V585 PolarHBondContact O-N 2.83Å; D581-V585 VanDerWaalsContact O-N 3.1Å
582	A	96.9	Very high	97.8	Very high	34 Å²	34	32.3 Å²	32.3	28%	0.281	18%	0.177	S	C	.	.	H	α-helix	trans	-69.7	-41.7	-174.1	0	0	0	0	0	113.4	T586 D625 V628	A582-T586 VanDerWaalsContact O-CB 3.27Å; A582-T586 WeakPolarHBondContact O-CB 3.38Å; A582-T586 PolarHBondContact O-N 2.94Å; A582-T586 PolarHBondContact O-OG1 2.95Å; A582-D625 HydrophobicContact CB-CB 4.45Å; A582-V628 HydrophobicContact CB-CG2 3.68Å; A582-V628 WeakPolarHBondContact O-CG2 3.44Å
583	E	95.6	Very high	97.8	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	19%	0.189	S	C	.	.	H	α-helix	trans	-63.7	-53.3	179	-175.8	-156.4	172.7	0	0	109.9	S519 D581 V585 T586 N587	S519-E583 WeakPolarHBondContact CB-OE1 3.2Å; S519-E583 VanDerWaalsContact CB-OE2 3.23Å; S519-E583 WeakPolarHBondContact CB-OE2 3.45Å; S519-E583 VanDerWaalsContact OG-CD 3.27Å; S519-E583 PolarHBondContact OG-OE2 2.78Å; D581-E583 PolarHBondContact OD1-N 3.14Å; D581-E583 VanDerWaalsContact OD1-N 3.09Å; E583-V585 PolarHBondContact O-N 3.25Å; E583-T586 PolarHBondContact O-N 3.47Å; E583-N587 PolarHBondContact O-N 3.44Å; E583-N587 VanDerWaalsContact O-N 3.16Å
584	K	98.1	Very high	97.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-41.2	-176.7	-63.6	175.7	-173.3	61.3	0	111.5	D515 S519 I522 Y578 D581 L588	D515-K584 WeakPolarHBondContact O-CE 3.4Å; D515-K584 WeakPolarHBondContact OD1-CE 3.47Å; D515-K584 IonicContact OD1-NZ 3.32Å; D515-K584 PolarHBondContact OD1-NZ 3.19Å; D515-K584 VanDerWaalsContact OD1-NZ 3.11Å; D515-K584 IonicContact OD2-NZ 3.52Å; D515-K584 PolarHBondContact OD2-NZ 3.48Å; S519-K584 VanDerWaalsContact OG-CE 3.26Å; S519-K584 WeakPolarHBondContact OG-CE 3.3Å; S519-K584 WeakPolarHBondContact OG-CG 3.22Å; S519-K584 PolarHBondContact OG-NZ 3.11Å; I522-K584 HydrophobicContact CD1-CB 3.93Å; I522-K584 HydrophobicContact CD1-CD 4.31Å; I522-K584 HydrophobicContact CD1-CG 4Å; Y578-K584 HydrophobicContact CD1-CD 3.64Å; Y578-K584 HydrophobicContact CE1-CD 4.2Å; Y578-K584 HydrophobicContact CG-CB 4.45Å; Y578-K584 HydrophobicContact CG-CD 4.15Å; D581-K584 HydrophobicContact CB-CB 4.07Å; D581-K584 HydrophobicContact CB-CD 4Å; D581-K584 HydrophobicContact CB-CG 4.24Å; D581-K584 WeakPolarHBondContact OD1-CB 3.4Å; D581-K584 WeakPolarHBondContact OD1-CG 3.33Å; D581-K584 PolarHBondContact OD1-N 3.01Å; D581-K584 IonicContact OD1-NZ 2.72Å; D581-K584 IonicContact OD2-NZ 3.45Å; D581-K584 PolarHBondContact OD2-NZ 2.78Å; K584-L588 WeakPolarHBondContact O-CB 3.31Å; K584-L588 WeakPolarHBondContact O-CD1 3.41Å; K584-L588 WeakPolarHBondContact O-CG 3.23Å; K584-L588 PolarHBondContact O-N 2.79Å
585	V	97.9	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-72	-38.3	176.7	-58.1	0	0	0	0	112.6	L575 Y578 D581 E583 N587 L588 L589 I619 V628	L575-V585 HydrophobicContact CD2-CB 4.29Å; L575-V585 HydrophobicContact CD2-CG1 4.28Å; Y578-V585 WeakPolarHBondContact O-CG1 3.39Å; D581-V585 WeakPolarHBondContact O-CG1 3.21Å; D581-V585 VanDerWaalsContact O-CG2 3.28Å; D581-V585 WeakPolarHBondContact O-CG2 3.36Å; D581-V585 PolarHBondContact O-N 2.83Å; D581-V585 VanDerWaalsContact O-N 3.1Å; E583-V585 PolarHBondContact O-N 3.25Å; V585-N587 VanDerWaalsContact C-N 3.28Å; V585-N587 PolarHBondContact O-N 2.94Å; V585-L588 PolarHBondContact O-N 2.85Å; V585-L589 HydrophobicContact CB-CD1 4.33Å; V585-L589 HydrophobicContact CG2-CD1 4.37Å; V585-L589 WeakPolarHBondContact O-CB 3.41Å; V585-L589 WeakPolarHBondContact O-CD1 3.44Å; V585-L589 WeakPolarHBondContact O-CG 3.42Å; V585-L589 PolarHBondContact O-N 2.96Å; V585-I619 HydrophobicContact CB-CD1 4.24Å; V585-I619 HydrophobicContact CG1-CD1 3.95Å; V585-I619 HydrophobicContact CG1-CG1 4.49Å; V585-I619 HydrophobicContact CG2-CG2 4.17Å; V585-V628 HydrophobicContact CG2-CB 4.31Å; V585-V628 HydrophobicContact CG2-CG1 3.71Å; V585-V628 HydrophobicContact CG2-CG2 3.69Å
586	T	98	Very high	97.6	Very high	24 Å²	24	33.8 Å²	33.8	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-41.6	179.1	-62.2	0	0	0	0	111.3	A582 E583 Q590 D627 V628 A631	A582-T586 VanDerWaalsContact O-CB 3.27Å; A582-T586 WeakPolarHBondContact O-CB 3.38Å; A582-T586 PolarHBondContact O-N 2.94Å; A582-T586 PolarHBondContact O-OG1 2.95Å; E583-T586 PolarHBondContact O-N 3.47Å; T586-Q590 PolarHBondContact O-NE2 2.78Å; T586-D627 HydrophobicContact CG2-CB 4.05Å; T586-V628 WeakPolarHBondContact OG1-CA 3.33Å; T586-V628 VanDerWaalsContact OG1-CG2 3.27Å; T586-V628 WeakPolarHBondContact OG1-CG2 3.28Å; T586-V628 PolarHBondContact OG1-N 3.34Å; T586-A631 HydrophobicContact CG2-CB 4.22Å
587	N	97.9	Very high	97.6	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	17%	0.17	C	C	.	.	H	α-helix	trans	-72	-43.1	174.7	-87.5	-8.7	0	0	0	113.5	I522 E523 L526 E583 V585 L589 Q590	I522-N587 HydrophobicContact CG2-CB 3.73Å; E523-N587 PolarHBondContact OE2-ND2 2.68Å; L526-N587 HydrophobicContact CD2-CB 3.76Å; L526-N587 VanDerWaalsContact CD2-CG 3.43Å; L526-N587 WeakPolarHBondContact CD2-OD1 3.41Å; E583-N587 PolarHBondContact O-N 3.44Å; E583-N587 VanDerWaalsContact O-N 3.16Å; V585-N587 VanDerWaalsContact C-N 3.28Å; V585-N587 PolarHBondContact O-N 2.94Å; N587-L589 VanDerWaalsContact C-N 3.31Å; N587-L589 PolarHBondContact O-N 2.56Å; N587-Q590 PolarHBondContact O-N 2.76Å; N587-Q590 PolarHBondContact OD1-NE2 3.16Å
588	L	98.6	Very high	97.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-34.4	176.6	-74.6	170.5	0	0	0	113	I522 M525 L571 L574 L575 Y578 K584 V585 Q590 L591	I522-L588 HydrophobicContact CD1-CD1 4.11Å; I522-L588 HydrophobicContact CD1-CG 4.32Å; I522-L588 HydrophobicContact CG1-CD2 4.43Å; I522-L588 HydrophobicContact CG2-CD2 4.18Å; I522-L588 HydrophobicContact CG2-CG 3.94Å; M525-L588 HydrophobicContact CE-CD2 4.18Å; L571-L588 HydrophobicContact CD1-CB 3.91Å; L571-L588 HydrophobicContact CD1-CD2 4.25Å; L571-L588 VanDerWaalsContact CD1-O 3.26Å; L571-L588 WeakPolarHBondContact CD1-O 3.42Å; L574-L588 HydrophobicContact CB-CD1 3.91Å; L574-L588 HydrophobicContact CB-CD2 3.95Å; L574-L588 HydrophobicContact CD1-CD2 3.89Å; L574-L588 HydrophobicContact CG-CD2 4.42Å; L575-L588 HydrophobicContact CD2-CB 3.63Å; L575-L588 HydrophobicContact CD2-CD1 4.17Å; L575-L588 HydrophobicContact CG-CB 4.47Å; Y578-L588 HydrophobicContact CD2-CD1 3.93Å; K584-L588 WeakPolarHBondContact O-CB 3.31Å; K584-L588 WeakPolarHBondContact O-CD1 3.41Å; K584-L588 WeakPolarHBondContact O-CG 3.23Å; K584-L588 PolarHBondContact O-N 2.79Å; V585-L588 PolarHBondContact O-N 2.85Å; L588-Q590 VanDerWaalsContact C-N 3.27Å; L588-Q590 PolarHBondContact O-N 3.11Å; L588-L591 HydrophobicContact CD2-CD1 4.36Å; L588-L591 WeakPolarHBondContact O-CG 3.5Å; L588-L591 PolarHBondContact O-N 2.94Å
589	L	98.6	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-26.3	-179.5	-79.1	164.9	0	0	0	112.8	L575 V585 N587 L591 P592 I616 I619 V628 A631 C632 T635	L575-L589 HydrophobicContact CD1-CD2 4.29Å; L575-L589 HydrophobicContact CD2-CD2 4.48Å; L575-L589 HydrophobicContact CD2-CG 4.3Å; V585-L589 HydrophobicContact CB-CD1 4.33Å; V585-L589 HydrophobicContact CG2-CD1 4.37Å; V585-L589 WeakPolarHBondContact O-CB 3.41Å; V585-L589 WeakPolarHBondContact O-CD1 3.44Å; V585-L589 WeakPolarHBondContact O-CG 3.42Å; V585-L589 PolarHBondContact O-N 2.96Å; N587-L589 VanDerWaalsContact C-N 3.31Å; N587-L589 PolarHBondContact O-N 2.56Å; L589-L591 VanDerWaalsContact C-N 3.28Å; L589-L591 PolarHBondContact O-N 2.69Å; L589-P592 WeakPolarHBondContact O-CD 3.42Å; L589-I616 HydrophobicContact CD2-CB 4.47Å; L589-I616 HydrophobicContact CD2-CD1 4.29Å; L589-I616 HydrophobicContact CD2-CG1 3.79Å; L589-I616 HydrophobicContact CD2-CG2 4.18Å; L589-I619 HydrophobicContact CD1-CG2 4.47Å; L589-V628 HydrophobicContact CD1-CG1 4.49Å; L589-A631 HydrophobicContact CB-CB 3.78Å; L589-A631 HydrophobicContact CD1-CB 3.94Å; L589-C632 WeakPolarHBondContact CD1-SG 3.41Å; L589-T635 WeakPolarHBondContact O-CB 3.25Å; L589-T635 WeakPolarHBondContact O-CG2 3.38Å; L589-T635 PolarHBondContact O-OG1 3.34Å
590	Q	98.3	Very high	97.5	Very high	39 Å²	39	32.3 Å²	32.3	18%	0.182	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.4	177.8	-70.2	170	54.4	0	0	113.2	L526 T586 N587 L588 P592 Q593 Y594	L526-Q590 HydrophobicContact CD1-CB 3.84Å; T586-Q590 PolarHBondContact O-NE2 2.78Å; N587-Q590 PolarHBondContact O-N 2.76Å; N587-Q590 PolarHBondContact OD1-NE2 3.16Å; L588-Q590 VanDerWaalsContact C-N 3.27Å; L588-Q590 PolarHBondContact O-N 3.11Å; Q590-P592 VanDerWaalsContact C-CD 3.49Å; Q590-Q593 WeakPolarHBondContact O-CB 3.03Å; Q590-Q593 WeakPolarHBondContact O-CG 3.28Å; Q590-Q593 PolarHBondContact O-N 3.22Å; Q590-Q593 VanDerWaalsContact O-N 3.08Å; Q590-Y594 HydrophobicContact CB-CE2 4.29Å; Q590-Y594 WeakPolarHBondContact O-CE2 3.44Å
591	L	98.3	Very high	97.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.6	-41.4	-169.5	-62.8	-172.5	0	0	0	115.6	L526 I529 F567 L571 L588 L589 Q593 Y594 F595	L526-L591 HydrophobicContact CD1-CD2 3.75Å; I529-L591 HydrophobicContact CB-CD2 4.33Å; I529-L591 HydrophobicContact CD1-CD1 4.34Å; I529-L591 HydrophobicContact CD1-CD2 3.64Å; I529-L591 HydrophobicContact CG2-CD2 4.05Å; F567-L591 HydrophobicContact CD1-CD1 3.91Å; F567-L591 HydrophobicContact CE1-CD1 4.27Å; F567-L591 HydrophobicContact CG-CD1 4.18Å; L571-L591 HydrophobicContact CD1-CD1 4.35Å; L571-L591 HydrophobicContact CD2-CB 4.35Å; L588-L591 HydrophobicContact CD2-CD1 4.36Å; L588-L591 WeakPolarHBondContact O-CG 3.5Å; L588-L591 PolarHBondContact O-N 2.94Å; L589-L591 VanDerWaalsContact C-N 3.28Å; L589-L591 PolarHBondContact O-N 2.69Å; L591-Q593 PolarHBondContact O-N 3.24Å; L591-Y594 PolarHBondContact O-N 3.36Å; L591-F595 HydrophobicContact CB-CE1 4.18Å; L591-F595 HydrophobicContact CB-CZ 4.32Å; L591-F595 WeakPolarHBondContact O-CD1 3.36Å; L591-F595 WeakPolarHBondContact O-CE1 3.3Å
592	P	98.1	Very high	97.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-65.9	-18.1	-179.4	-21.7	35.6	0	0	0	114.9	L571 L589 Q590 Y594 F595 L612 T635 L639	L571-P592 HydrophobicContact CD2-CG 3.5Å; L571-P592 VanDerWaalsContact CD2-CG 3.5Å; L589-P592 WeakPolarHBondContact O-CD 3.42Å; Q590-P592 VanDerWaalsContact C-CD 3.49Å; P592-Y594 PolarHBondContact O-N 3.39Å; P592-F595 HydrophobicContact CB-CD2 4.02Å; P592-F595 HydrophobicContact CB-CE2 4.03Å; P592-F595 HydrophobicContact CG-CE2 4.14Å; P592-F595 HydrophobicContact CG-CZ 4.39Å; P592-F595 WeakPolarHBondContact O-CB 3.37Å; P592-F595 PolarHBondContact O-N 3.4Å; P592-L612 HydrophobicContact CG-CD2 4.04Å; P592-T635 HydrophobicContact CB-CG2 4.01Å; P592-T635 HydrophobicContact CG-CG2 3.74Å; P592-L639 HydrophobicContact CB-CD2 4.32Å
593	Q	96.9	Very high	97.3	Very high	70 Å²	70	31.2 Å²	31.2	33%	0.327	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-67.2	-22.5	177.8	-55.2	176.2	21.2	0	0	111.4	Q590 L591 T635 A638	Q590-Q593 WeakPolarHBondContact O-CB 3.03Å; Q590-Q593 WeakPolarHBondContact O-CG 3.28Å; Q590-Q593 PolarHBondContact O-N 3.22Å; Q590-Q593 VanDerWaalsContact O-N 3.08Å; L591-Q593 PolarHBondContact O-N 3.24Å; Q593-T635 PolarHBondContact NE2-OG1 3.13Å; Q593-A638 HydrophobicContact CG-CB 4.09Å
594	Y	97.6	Very high	97.3	Very high	23 Å²	23	36.2 Å²	36.2	9%	0.09	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-93.5	-7.3	177.2	-51.5	-70.7	0	0	0	113.9	L526 I529 R530 A533 E534 R560 Q590 L591 P592	L526-Y594 HydrophobicContact CD1-CE2 3.94Å; I529-Y594 HydrophobicContact CG2-CD2 3.95Å; I529-Y594 HydrophobicContact CG2-CG 4.23Å; R530-Y594 HydrophobicContact CB-CE1 3.94Å; R530-Y594 HydrophobicContact CB-CE2 4.47Å; R530-Y594 WeakPolarHBondContact CD-OH 3.49Å; R530-Y594 HydrophobicContact CG-CE1 3.8Å; A533-Y594 HydrophobicContact CB-CD1 3.92Å; A533-Y594 HydrophobicContact CB-CG 4.15Å; E534-Y594 HydrophobicContact CG-CE1 4.43Å; R560-Y594 PolarHBondContact NE-O 3.24Å; R560-Y594 PolarHBondContact NH2-O 2.78Å; Q590-Y594 HydrophobicContact CB-CE2 4.29Å; Q590-Y594 WeakPolarHBondContact O-CE2 3.44Å; L591-Y594 PolarHBondContact O-N 3.36Å; P592-Y594 PolarHBondContact O-N 3.39Å
595	F	97.9	Very high	97.3	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	19%	0.19	C	C	.	.	S	Bend	trans	-72.2	162.6	-173.8	-69.8	1.7	0	0	0	113.1	R560 I563 T564 F567 L591 P592 L597 Y600	R560-F595 PolarHBondContact NH2-O 3.18Å; I563-F595 HydrophobicContact CG2-CD1 4.05Å; I563-F595 HydrophobicContact CG2-CE1 4Å; T564-F595 HydrophobicContact CG2-CB 3.82Å; T564-F595 HydrophobicContact CG2-CD2 4.06Å; T564-F595 HydrophobicContact CG2-CG 3.91Å; T564-F595 VanDerWaalsContact OG1-CA 3.28Å; T564-F595 WeakPolarHBondContact OG1-CA 3.47Å; F567-F595 HydrophobicContact CB-CE1 3.83Å; F567-F595 HydrophobicContact CB-CZ 3.55Å; L591-F595 HydrophobicContact CB-CE1 4.18Å; L591-F595 HydrophobicContact CB-CZ 4.32Å; L591-F595 WeakPolarHBondContact O-CD1 3.36Å; L591-F595 WeakPolarHBondContact O-CE1 3.3Å; P592-F595 HydrophobicContact CB-CD2 4.02Å; P592-F595 HydrophobicContact CB-CE2 4.03Å; P592-F595 HydrophobicContact CG-CE2 4.14Å; P592-F595 HydrophobicContact CG-CZ 4.39Å; P592-F595 WeakPolarHBondContact O-CB 3.37Å; P592-F595 PolarHBondContact O-N 3.4Å; F595-L597 HydrophobicContact CB-CD2 4.18Å; F595-Y600 AromaticContact CD2-CE2 3.97Å; F595-Y600 HydrophobicContact CD2-CE2 3.97Å; F595-Y600 HydrophobicContact CE2-CE2 4.48Å
596	D	97.1	Very high	97.2	Very high	44 Å²	44	39.8 Å²	39.8	24%	0.235	20%	0.202	C	C	.	.			trans	-96.2	106.6	161.2	173.8	1.5	0	0	0	109	T564 E598 I599	T564-D596 PolarHBondContact OG1-N 3.03Å; D596-E598 PolarHBondContact O-N 2.81Å; D596-E598 PolarHBondContact OD1-N 3.37Å; D596-E598 VanDerWaalsContact OD1-N 3.16Å; D596-I599 HydrophobicContact CB-CD1 3.8Å; D596-I599 HydrophobicContact CB-CG1 4.15Å; D596-I599 WeakPolarHBondContact O-CB 3.49Å; D596-I599 PolarHBondContact O-N 3.01Å; D596-I599 VanDerWaalsContact O-N 3.16Å
597	L	97.1	Very high	97.2	Very high	13 Å²	13	46 Å²	46	7%	0.068	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.9	-169.7	-58.3	177.7	0	0	0	113.7	F595 I599 Y600 A638 L639 F644 I646	F595-L597 HydrophobicContact CB-CD2 4.18Å; L597-I599 VanDerWaalsContact C-N 3.26Å; L597-I599 PolarHBondContact O-N 3.25Å; L597-Y600 HydrophobicContact CD2-CD2 4.13Å; L597-Y600 HydrophobicContact CD2-CE2 4.19Å; L597-Y600 PolarHBondContact O-N 3.04Å; L597-A638 VanDerWaalsContact CD1-O 3.26Å; L597-A638 WeakPolarHBondContact CD1-O 3.48Å; L597-L639 HydrophobicContact CD2-CD2 3.86Å; L597-F644 HydrophobicContact CB-CB 4.27Å; L597-F644 HydrophobicContact CB-CD1 3.59Å; L597-F644 HydrophobicContact CB-CD2 4.09Å; L597-F644 HydrophobicContact CB-CE1 3.86Å; L597-F644 HydrophobicContact CB-CE2 4.33Å; L597-F644 HydrophobicContact CB-CG 3.71Å; L597-F644 HydrophobicContact CB-CZ 4.22Å; L597-F644 HydrophobicContact CD1-CD2 4.07Å; L597-F644 HydrophobicContact CD1-CE2 4.31Å; L597-F644 HydrophobicContact CD1-CG 4.43Å; L597-I646 HydrophobicContact CB-CD1 4.09Å; L597-I646 HydrophobicContact CD1-CD1 4.31Å; L597-I646 HydrophobicContact CD2-CD1 4.16Å; L597-I646 HydrophobicContact CG-CD1 4.41Å
598	E	96.2	Very high	97.2	Very high	114 Å²	114	47.4 Å²	47.4	53%	0.533	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.5	172	-176.5	169.5	178.7	0	0	111.2	D596 Y600 T601 T602 F644	D596-E598 PolarHBondContact O-N 2.81Å; D596-E598 PolarHBondContact OD1-N 3.37Å; D596-E598 VanDerWaalsContact OD1-N 3.16Å; E598-Y600 PolarHBondContact O-N 3.47Å; E598-T601 PolarHBondContact O-N 3.47Å; E598-T601 VanDerWaalsContact O-N 3.08Å; E598-T602 HydrophobicContact CG-CG2 3.69Å; E598-T602 PolarHBondContact O-N 2.83Å; E598-T602 PolarHBondContact O-OG1 3.25Å; E598-F644 HydrophobicContact CB-CD1 4.36Å; E598-F644 HydrophobicContact CB-CE1 4.26Å
599	I	97.3	Very high	97.2	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-30.6	-179.9	-60.1	176.3	0	0	0	111.7	T561 T564 E565 D596 L597 T601 T602 G603 L605	T561-I599 HydrophobicContact CG2-CD1 3.85Å; T564-I599 HydrophobicContact CG2-CB 3.87Å; T564-I599 HydrophobicContact CG2-CD1 4.05Å; T564-I599 HydrophobicContact CG2-CG1 4.49Å; T564-I599 HydrophobicContact CG2-CG2 4.04Å; E565-I599 HydrophobicContact CG-CG2 3.94Å; D596-I599 HydrophobicContact CB-CD1 3.8Å; D596-I599 HydrophobicContact CB-CG1 4.15Å; D596-I599 WeakPolarHBondContact O-CB 3.49Å; D596-I599 PolarHBondContact O-N 3.01Å; D596-I599 VanDerWaalsContact O-N 3.16Å; L597-I599 VanDerWaalsContact C-N 3.26Å; L597-I599 PolarHBondContact O-N 3.25Å; I599-T601 PolarHBondContact O-N 3.08Å; I599-T602 WeakPolarHBondContact CA-OG1 3.49Å; I599-G603 WeakPolarHBondContact O-CA 3.5Å; I599-G603 PolarHBondContact O-N 3.16Å; I599-L605 HydrophobicContact CG2-CD1 4.13Å
600	Y	97.6	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-36.2	175.7	-90.8	-62.3	0	0	0	112.8	A568 F595 L597 E598 L605 E606 L609 L639 I646	A568-Y600 HydrophobicContact CB-CD1 4.37Å; A568-Y600 HydrophobicContact CB-CE1 3.64Å; F595-Y600 AromaticContact CD2-CE2 3.97Å; F595-Y600 HydrophobicContact CD2-CE2 3.97Å; F595-Y600 HydrophobicContact CE2-CE2 4.48Å; L597-Y600 HydrophobicContact CD2-CD2 4.13Å; L597-Y600 HydrophobicContact CD2-CE2 4.19Å; L597-Y600 PolarHBondContact O-N 3.04Å; E598-Y600 PolarHBondContact O-N 3.47Å; Y600-L605 HydrophobicContact CD1-CB 3.88Å; Y600-L605 HydrophobicContact CE1-CB 4.46Å; Y600-L605 PolarHBondContact O-N 3.26Å; Y600-E606 PolarHBondContact O-N 2.96Å; Y600-L609 HydrophobicContact CD1-CB 3.86Å; Y600-L609 HydrophobicContact CE1-CB 3.79Å; Y600-L609 HydrophobicContact CE1-CD1 4.38Å; Y600-L609 HydrophobicContact CE2-CD1 4.36Å; Y600-L609 HydrophobicContact CG-CD2 4.44Å; Y600-L639 HydrophobicContact CE2-CD2 4.26Å; Y600-I646 HydrophobicContact CD2-CD1 4.32Å
601	T	95.3	Very high	97.2	Very high	50 Å²	50	49.4 Å²	49.4	31%	0.307	25%	0.248	S	C	.	.	H	α-helix	trans	-92.8	-44.2	-179.2	-55.3	0	0	0	0	111.6	E598 I599 R604 T645	E598-T601 PolarHBondContact O-N 3.47Å; E598-T601 VanDerWaalsContact O-N 3.08Å; I599-T601 PolarHBondContact O-N 3.08Å; T601-R604 PolarHBondContact O-N 3.36Å; T601-T645 PolarHBondContact OG1-OG1 3.13Å
602	T	95.9	Very high	97.2	Very high	88 Å²	88	49.4 Å²	49.4	54%	0.54	25%	0.248	S	C	.	.	H	α-helix	trans	-71.2	-36.4	-178.1	54.7	0	0	0	0	112.5	E598 I599 R604	E598-T602 HydrophobicContact CG-CG2 3.69Å; E598-T602 PolarHBondContact O-N 2.83Å; E598-T602 PolarHBondContact O-OG1 3.25Å; I599-T602 WeakPolarHBondContact CA-OG1 3.49Å; T602-R604 VanDerWaalsContact C-N 3.32Å; T602-R604 PolarHBondContact O-N 3.46Å
603	G	94.5	Very high	97.2	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3	174.7	0	0	0	0	0	115.3	I599	I599-G603 WeakPolarHBondContact O-CA 3.5Å; I599-G603 PolarHBondContact O-N 3.16Å
604	R	96.2	Very high	97.3	Very high	207 Å²	207	53.3 Å²	53.3	78%	0.781	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	41.2	-176.3	-50.9	178	-177.3	173.6	0.6	113.8	T601 T602 E606	T601-R604 PolarHBondContact O-N 3.36Å; T602-R604 VanDerWaalsContact C-N 3.32Å; T602-R604 PolarHBondContact O-N 3.46Å; R604-E606 WeakPolarHBondContact CA-OE2 3.44Å
605	L	97.3	Very high	97.3	Very high	25 Å²	25	54.2 Å²	54.2	13%	0.131	27%	0.265	C	S	.	.			trans	-97.3	12	-175.8	-56	176.9	0	0	0	112.4	A568 V569 I599 Y600 K607 H608 L609	A568-L605 HydrophobicContact CB-CD1 3.84Å; V569-L605 HydrophobicContact CG2-CD2 4.08Å; I599-L605 HydrophobicContact CG2-CD1 4.13Å; Y600-L605 HydrophobicContact CD1-CB 3.88Å; Y600-L605 HydrophobicContact CE1-CB 4.46Å; Y600-L605 PolarHBondContact O-N 3.26Å; L605-K607 PolarHBondContact O-N 3.42Å; L605-H608 WeakPolarHBondContact O-CA 3.45Å; L605-H608 WeakPolarHBondContact O-CB 3.49Å; L605-H608 PolarHBondContact O-N 2.96Å; L605-L609 PolarHBondContact O-N 2.87Å; L605-L609 VanDerWaalsContact O-N 3.11Å
606	E	96.8	Very high	97.3	Very high	53 Å²	53	54 Å²	54	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-29.2	-173.5	-43.3	93.8	133.3	0	0	112.4	Y600 R604 H608 L609 D610 R649	Y600-E606 PolarHBondContact O-N 2.96Å; R604-E606 WeakPolarHBondContact CA-OE2 3.44Å; E606-H608 PolarHBondContact O-N 3.49Å; E606-L609 WeakPolarHBondContact O-CB 3.45Å; E606-L609 PolarHBondContact O-N 3.07Å; E606-D610 VanDerWaalsContact O-CG 3.24Å; E606-D610 PolarHBondContact O-N 2.97Å; E606-R649 VanDerWaalsContact CB-CZ 3.49Å
607	K	97.6	Very high	97.4	Very high	155 Å²	155	54.2 Å²	54.2	67%	0.674	26%	0.262	S	S	*	.	H	α-helix	trans	-58.9	-33.9	169.9	-179.8	-166.5	170	-163.1	0	112.3	L605 A611	L605-K607 PolarHBondContact O-N 3.42Å; K607-A611 PolarHBondContact O-N 2.99Å
608	H	98.1	Very high	97.4	Very high	51 Å²	51	56.3 Å²	56.3	24%	0.236	27%	0.273	C	S	.	.	H	α-helix	trans	-82.6	-31.4	178.9	-63.8	-97.4	0	0	0	111.3	A568 L605 E606 A611 L612	A568-H608 VanDerWaalsContact O-CB 3.28Å; A568-H608 WeakPolarHBondContact O-CB 3.34Å; L605-H608 WeakPolarHBondContact O-CA 3.45Å; L605-H608 WeakPolarHBondContact O-CB 3.49Å; L605-H608 PolarHBondContact O-N 2.96Å; E606-H608 PolarHBondContact O-N 3.49Å; H608-A611 WeakPolarHBondContact O-CB 3.5Å; H608-A611 PolarHBondContact O-N 2.95Å; H608-A611 VanDerWaalsContact O-N 3.14Å; H608-L612 PolarHBondContact O-N 3.16Å
609	L	98.3	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-45.2	165.1	-176.6	57.7	0	0	0	111.2	Y600 L605 E606 A611 L612 L613 L639 I646 V650	Y600-L609 HydrophobicContact CD1-CB 3.86Å; Y600-L609 HydrophobicContact CE1-CB 3.79Å; Y600-L609 HydrophobicContact CE1-CD1 4.38Å; Y600-L609 HydrophobicContact CE2-CD1 4.36Å; Y600-L609 HydrophobicContact CG-CD2 4.44Å; L605-L609 PolarHBondContact O-N 2.87Å; L605-L609 VanDerWaalsContact O-N 3.11Å; E606-L609 WeakPolarHBondContact O-CB 3.45Å; E606-L609 PolarHBondContact O-N 3.07Å; L609-A611 PolarHBondContact O-N 2.7Å; L609-L612 WeakPolarHBondContact O-CB 3.07Å; L609-L612 PolarHBondContact O-N 3.31Å; L609-L612 VanDerWaalsContact O-N 3.1Å; L609-L613 HydrophobicContact CD1-CD1 4.27Å; L609-L613 HydrophobicContact CD1-CD2 4.36Å; L609-L613 HydrophobicContact CD1-CG 4.09Å; L609-L613 HydrophobicContact CG-CD1 4.1Å; L609-L613 HydrophobicContact CG-CG 4.38Å; L609-L613 WeakPolarHBondContact O-CG 3.49Å; L609-L613 PolarHBondContact O-N 2.98Å; L609-L639 HydrophobicContact CD1-CD1 4.26Å; L609-L639 HydrophobicContact CD1-CD2 4.19Å; L609-I646 HydrophobicContact CD2-CB 3.87Å; L609-I646 HydrophobicContact CD2-CD1 4.2Å; L609-I646 HydrophobicContact CD2-CG2 3.88Å; L609-V650 HydrophobicContact CD2-CG2 4.2Å
610	D	98.1	Very high	97.5	Very high	59 Å²	59	50.3 Å²	50.3	32%	0.316	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-25.5	173.4	-63.2	-24.8	0	0	0	112.9	E606 R614 R649	E606-D610 VanDerWaalsContact O-CG 3.24Å; E606-D610 PolarHBondContact O-N 2.97Å; D610-R614 PolarHBondContact O-NE 2.81Å; D610-R614 PolarHBondContact O-NH2 3.38Å; D610-R649 WeakPolarHBondContact OD1-CD 3.39Å; D610-R649 IonicContact OD1-CZ 3.2Å; D610-R649 IonicContact OD1-NE 2.71Å; D610-R649 IonicContact OD1-NH1 2.73Å; D610-R649 PolarHBondContact OD1-NH1 2.84Å; D610-R649 IonicContact OD2-NH1 3.49Å; D610-R649 PolarHBondContact OD2-NH1 2.94Å
611	A	98.5	Very high	97.4	Very high	25 Å²	25	54.5 Å²	54.5	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-79.8	-42.3	172.8	0	0	0	0	0	111.5	P572 K607 H608 L609 R614 Q615	P572-A611 HydrophobicContact CB-CB 3.83Å; P572-A611 HydrophobicContact CG-CB 4.17Å; K607-A611 PolarHBondContact O-N 2.99Å; H608-A611 WeakPolarHBondContact O-CB 3.5Å; H608-A611 PolarHBondContact O-N 2.95Å; H608-A611 VanDerWaalsContact O-N 3.14Å; L609-A611 PolarHBondContact O-N 2.7Å; A611-R614 PolarHBondContact O-N 3.2Å; A611-Q615 WeakPolarHBondContact O-CG 3.32Å; A611-Q615 PolarHBondContact O-N 2.89Å; A611-Q615 VanDerWaalsContact O-N 3.13Å
612	L	98.6	Very high	97.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-55	176.8	-178.2	55.7	0	0	0	111.4	L571 P572 L575 P592 H608 L609 R614 Q615 I616 L639	L571-L612 HydrophobicContact CD2-CD1 3.66Å; L571-L612 HydrophobicContact CD2-CD2 4.21Å; L571-L612 HydrophobicContact CG-CD1 3.82Å; P572-L612 HydrophobicContact CG-CB 4.05Å; L575-L612 HydrophobicContact CD1-CD1 3.64Å; P592-L612 HydrophobicContact CG-CD2 4.04Å; H608-L612 PolarHBondContact O-N 3.16Å; L609-L612 WeakPolarHBondContact O-CB 3.07Å; L609-L612 PolarHBondContact O-N 3.31Å; L609-L612 VanDerWaalsContact O-N 3.1Å; L612-R614 PolarHBondContact O-N 2.84Å; L612-Q615 WeakPolarHBondContact O-CA 3.3Å; L612-Q615 PolarHBondContact O-N 3.15Å; L612-I616 HydrophobicContact CD1-CD1 3.97Å; L612-I616 HydrophobicContact CD1-CG1 4.04Å; L612-I616 HydrophobicContact CG-CD1 3.86Å; L612-I616 HydrophobicContact CG-CG1 4.31Å; L612-I616 WeakPolarHBondContact O-CG1 3.4Å; L612-I616 PolarHBondContact O-N 3.33Å; L612-L639 HydrophobicContact CD2-CD1 4.23Å
613	L	98.4	Very high	97.5	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-37.9	-176.7	-64.6	172.3	0	0	0	112.4	L609 R617 Y636 L639 V650	L609-L613 HydrophobicContact CD1-CD1 4.27Å; L609-L613 HydrophobicContact CD1-CD2 4.36Å; L609-L613 HydrophobicContact CD1-CG 4.09Å; L609-L613 HydrophobicContact CG-CD1 4.1Å; L609-L613 HydrophobicContact CG-CG 4.38Å; L609-L613 WeakPolarHBondContact O-CG 3.49Å; L609-L613 PolarHBondContact O-N 2.98Å; L613-R617 VanDerWaalsContact O-CB 3.3Å; L613-R617 WeakPolarHBondContact O-CB 3.46Å; L613-R617 PolarHBondContact O-N 3.25Å; L613-Y636 HydrophobicContact CD2-CD1 4.44Å; L613-Y636 HydrophobicContact CD2-CE1 3.82Å; L613-Y636 PolarHBondContact O-OH 3.15Å; L613-L639 HydrophobicContact CD2-CD1 4.11Å; L613-V650 HydrophobicContact CD1-CG2 4.23Å; L613-V650 HydrophobicContact CD2-CG1 3.91Å; L613-V650 HydrophobicContact CD2-CG2 4.45Å
614	R	98.3	Very high	97.6	Very high	151 Å²	151	54.2 Å²	54.2	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-68	-37.1	173.6	-77	-178.3	-68.1	145.5	3.5	112.9	D610 A611 L612 N618	D610-R614 PolarHBondContact O-NE 2.81Å; D610-R614 PolarHBondContact O-NH2 3.38Å; A611-R614 PolarHBondContact O-N 3.2Å; L612-R614 PolarHBondContact O-N 2.84Å; R614-N618 WeakPolarHBondContact O-CB 3.06Å; R614-N618 PolarHBondContact O-N 3.11Å; R614-N618 PolarHBondContact O-ND2 2.63Å; R614-N618 PolarHBondContact O-OD1 3.38Å
615	Q	98.4	Very high	97.6	Very high	42 Å²	42	47 Å²	47	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-72.2	-39.7	175.2	-63.4	-61.6	13.3	0	0	112.7	L575 A611 L612 R617 N618 I619	L575-Q615 HydrophobicContact CB-CB 4.15Å; L575-Q615 HydrophobicContact CD1-CB 4.48Å; A611-Q615 WeakPolarHBondContact O-CG 3.32Å; A611-Q615 PolarHBondContact O-N 2.89Å; A611-Q615 VanDerWaalsContact O-N 3.13Å; L612-Q615 WeakPolarHBondContact O-CA 3.3Å; L612-Q615 PolarHBondContact O-N 3.15Å; Q615-R617 VanDerWaalsContact C-N 3.31Å; Q615-R617 PolarHBondContact O-N 3.35Å; Q615-N618 WeakPolarHBondContact O-CB 3.41Å; Q615-N618 PolarHBondContact O-N 2.93Å; Q615-N618 PolarHBondContact OE1-ND2 2.9Å; Q615-I619 VanDerWaalsContact O-CG1 3.3Å; Q615-I619 WeakPolarHBondContact O-CG1 3.3Å; Q615-I619 PolarHBondContact O-N 3.32Å
616	I	98.4	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-46.5	173.1	-58.2	175.3	0	0	0	109.4	L575 L589 L612 N618 I619 V620 C632 T635 Y636 L639	L575-I616 HydrophobicContact CD1-CG1 4.4Å; L589-I616 HydrophobicContact CD2-CB 4.47Å; L589-I616 HydrophobicContact CD2-CD1 4.29Å; L589-I616 HydrophobicContact CD2-CG1 3.79Å; L589-I616 HydrophobicContact CD2-CG2 4.18Å; L612-I616 HydrophobicContact CD1-CD1 3.97Å; L612-I616 HydrophobicContact CD1-CG1 4.04Å; L612-I616 HydrophobicContact CG-CD1 3.86Å; L612-I616 HydrophobicContact CG-CG1 4.31Å; L612-I616 WeakPolarHBondContact O-CG1 3.4Å; L612-I616 PolarHBondContact O-N 3.33Å; I616-N618 PolarHBondContact O-N 2.96Å; I616-I619 WeakPolarHBondContact O-CB 3.37Å; I616-I619 PolarHBondContact O-N 2.81Å; I616-I619 VanDerWaalsContact O-N 3.09Å; I616-V620 WeakPolarHBondContact O-CG2 3.42Å; I616-V620 PolarHBondContact O-N 3.27Å; I616-C632 HydrophobicContact CG2-CB 3.93Å; I616-T635 HydrophobicContact CD1-CG2 3.96Å; I616-Y636 HydrophobicContact CB-CE2 4.07Å; I616-Y636 HydrophobicContact CG2-CD2 3.77Å; I616-Y636 HydrophobicContact CG2-CE2 3.58Å; I616-L639 HydrophobicContact CD1-CD1 4.49Å
617	R	98	Very high	97.4	Very high	48 Å²	48	50.7 Å²	50.7	18%	0.181	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-47.3	174.2	171.5	166.7	167.5	159.6	5.1	112.7	L613 Q615 I619 V620 E621 L657 E660	L613-R617 VanDerWaalsContact O-CB 3.3Å; L613-R617 WeakPolarHBondContact O-CB 3.46Å; L613-R617 PolarHBondContact O-N 3.25Å; Q615-R617 VanDerWaalsContact C-N 3.31Å; Q615-R617 PolarHBondContact O-N 3.35Å; R617-I619 PolarHBondContact O-N 3.21Å; R617-V620 PolarHBondContact O-N 2.71Å; R617-E621 WeakPolarHBondContact CG-OE1 3.46Å; R617-E621 IonicContact CZ-OE1 2.75Å; R617-E621 VanDerWaalsContact CZ-OE1 3.27Å; R617-E621 IonicContact NE-OE1 2.74Å; R617-E621 PolarHBondContact NE-OE1 3.28Å; R617-E621 IonicContact NH2-OE1 2.63Å; R617-E621 PolarHBondContact NH2-OE1 3.15Å; R617-E621 WeakPolarHBondContact O-CG 3.35Å; R617-E621 PolarHBondContact O-N 3.37Å; R617-L657 HydrophobicContact CG-CD1 4.23Å; R617-E660 IonicContact CZ-OE1 2.71Å; R617-E660 VanDerWaalsContact CZ-OE1 3.25Å; R617-E660 IonicContact CZ-OE2 3.62Å; R617-E660 IonicContact NH1-OE1 2.92Å; R617-E660 PolarHBondContact NH1-OE1 3.35Å; R617-E660 IonicContact NH1-OE2 2.79Å; R617-E660 IonicContact NH2-OE1 3.49Å; R617-E660 PolarHBondContact NH2-OE1 3.15Å; R617-E660 IonicContact NH2-OE2 2.66Å; R617-E660 PolarHBondContact NH2-OE2 2.92Å
618	N	97.6	Very high	97.5	Very high	57 Å²	57	43.3 Å²	43.3	31%	0.305	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-28.9	174.7	-71	-25.4	0	0	0	113.2	R614 Q615 I616 K622	R614-N618 WeakPolarHBondContact O-CB 3.06Å; R614-N618 PolarHBondContact O-N 3.11Å; R614-N618 PolarHBondContact O-ND2 2.63Å; R614-N618 PolarHBondContact O-OD1 3.38Å; Q615-N618 WeakPolarHBondContact O-CB 3.41Å; Q615-N618 PolarHBondContact O-N 2.93Å; Q615-N618 PolarHBondContact OE1-ND2 2.9Å; I616-N618 PolarHBondContact O-N 2.96Å; N618-K622 WeakPolarHBondContact O-CD 3.1Å; N618-K622 WeakPolarHBondContact O-CE 3.43Å; N618-K622 WeakPolarHBondContact O-CG 3.37Å
619	I	98.3	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-77.1	-49.1	177.4	-73.3	163.9	0	0	0	109.6	L575 V585 L589 Q615 I616 R617 E621 K622 H623 V628	L575-I619 HydrophobicContact CB-CD1 4.15Å; L575-I619 HydrophobicContact CD1-CD1 4.41Å; L575-I619 HydrophobicContact CD2-CD1 3.84Å; L575-I619 HydrophobicContact CG-CD1 4.35Å; V585-I619 HydrophobicContact CB-CD1 4.24Å; V585-I619 HydrophobicContact CG1-CD1 3.95Å; V585-I619 HydrophobicContact CG1-CG1 4.49Å; V585-I619 HydrophobicContact CG2-CG2 4.17Å; L589-I619 HydrophobicContact CD1-CG2 4.47Å; Q615-I619 VanDerWaalsContact O-CG1 3.3Å; Q615-I619 WeakPolarHBondContact O-CG1 3.3Å; Q615-I619 PolarHBondContact O-N 3.32Å; I616-I619 WeakPolarHBondContact O-CB 3.37Å; I616-I619 PolarHBondContact O-N 2.81Å; I616-I619 VanDerWaalsContact O-N 3.09Å; R617-I619 PolarHBondContact O-N 3.21Å; I619-E621 VanDerWaalsContact C-N 3.29Å; I619-E621 PolarHBondContact O-N 3.43Å; I619-K622 PolarHBondContact O-N 3.24Å; I619-H623 WeakPolarHBondContact O-CB 3.34Å; I619-H623 PolarHBondContact O-CD2 3.26Å; I619-H623 PolarHBondContact O-N 2.95Å; I619-V628 HydrophobicContact CG2-CG1 3.46Å; I619-V628 VanDerWaalsContact CG2-CG1 3.46Å
620	V	98	Very high	97.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.4	-44.2	175.3	175.5	0	0	0	0	111.6	I616 R617 K622 L629 C632 L657 L661 R693 F697	I616-V620 WeakPolarHBondContact O-CG2 3.42Å; I616-V620 PolarHBondContact O-N 3.27Å; R617-V620 PolarHBondContact O-N 2.71Å; V620-K622 VanDerWaalsContact C-N 3.28Å; V620-K622 PolarHBondContact O-N 3.12Å; V620-L629 HydrophobicContact CB-CD2 4.36Å; V620-L629 HydrophobicContact CG1-CD2 4.06Å; V620-L629 HydrophobicContact CG2-CD2 4.35Å; V620-C632 HydrophobicContact CG2-CB 3.53Å; V620-L657 HydrophobicContact CG1-CD1 4.19Å; V620-L657 HydrophobicContact CG1-CD2 4.39Å; V620-L657 HydrophobicContact CG2-CD2 4.43Å; V620-L661 HydrophobicContact CG1-CD1 4.4Å; V620-R693 HydrophobicContact CG1-CB 4.33Å; V620-R693 HydrophobicContact CG1-CG 4.13Å; V620-R693 WeakPolarHBondContact O-CD 3.25Å; V620-R693 PolarHBondContact O-NE 3.18Å; V620-F697 HydrophobicContact CG1-CE2 4.07Å; V620-F697 HydrophobicContact CG2-CE2 3.65Å; V620-F697 HydrophobicContact CG2-CZ 3.81Å
621	E	95.1	Very high	97.4	Very high	88 Å²	88	42.7 Å²	42.7	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-65.5	-26.6	179.8	-72.5	174.7	-165	0	0	113.9	R617 I619 R693	R617-E621 WeakPolarHBondContact CG-OE1 3.46Å; R617-E621 IonicContact CZ-OE1 2.75Å; R617-E621 VanDerWaalsContact CZ-OE1 3.27Å; R617-E621 IonicContact NE-OE1 2.74Å; R617-E621 PolarHBondContact NE-OE1 3.28Å; R617-E621 IonicContact NH2-OE1 2.63Å; R617-E621 PolarHBondContact NH2-OE1 3.15Å; R617-E621 WeakPolarHBondContact O-CG 3.35Å; R617-E621 PolarHBondContact O-N 3.37Å; I619-E621 VanDerWaalsContact C-N 3.29Å; I619-E621 PolarHBondContact O-N 3.43Å; E621-R693 PolarHBondContact O-NH2 3.01Å
622	K	94.9	Very high	97.4	Very high	118 Å²	118	41.5 Å²	41.5	51%	0.513	20%	0.199	S	C	.	.	H	α-helix	trans	-95.3	-41.6	-177.5	-68.2	170.8	-165.4	172.8	0	113.4	N618 I619 V620	N618-K622 WeakPolarHBondContact O-CD 3.1Å; N618-K622 WeakPolarHBondContact O-CE 3.43Å; N618-K622 WeakPolarHBondContact O-CG 3.37Å; I619-K622 PolarHBondContact O-N 3.24Å; V620-K622 VanDerWaalsContact C-N 3.28Å; V620-K622 PolarHBondContact O-N 3.12Å
623	H	97.4	Very high	97.4	Very high	21 Å²	21	41.6 Å²	41.6	10%	0.097	20%	0.199	C	C	.	.			trans	-85.5	154.4	-172	-77.8	-90.2	0	0	0	113.1	S579 V580 I619 V628 R693	S579-H623 PolarHBondContact O-NE2 3.2Å; V580-H623 PolarHBondContact O-CE1 2.95Å; I619-H623 WeakPolarHBondContact O-CB 3.34Å; I619-H623 PolarHBondContact O-CD2 3.26Å; I619-H623 PolarHBondContact O-N 2.95Å; H623-V628 HydrophobicContact CB-CB 4.31Å; H623-V628 HydrophobicContact CB-CG1 3.72Å; H623-R693 VanDerWaalsContact O-CZ 3.31Å; H623-R693 PolarHBondContact O-NE 3.06Å; H623-R693 PolarHBondContact O-NH2 2.97Å
624	T	96.8	Very high	97.3	Very high	34 Å²	34	44.8 Å²	44.8	21%	0.209	21%	0.213	C	C	.	.			trans	-134.7	3.3	177.7	55.2	0	0	0	0	112.3	Y685 S689 K692	T624-Y685 PolarHBondContact OG1-OH 3.12Å; T624-S689 VanDerWaalsContact CG2-OG 3.3Å; T624-S689 WeakPolarHBondContact CG2-OG 3.21Å; T624-K692 WeakPolarHBondContact O-CD 3.41Å; T624-K692 PolarHBondContact O-NZ 3.21Å; T624-K692 VanDerWaalsContact O-NZ 3.12Å
625	D	97.3	Very high	97.3	Very high	57 Å²	57	37.6 Å²	37.6	31%	0.305	19%	0.186	S	C	.	.			trans	-66.5	147.8	170.2	-179.9	-100.3	0	0	0	111.3	A582 D627 V628 L629	A582-D625 HydrophobicContact CB-CB 4.45Å; D625-D627 PolarHBondContact OD1-N 3.17Å; D625-V628 HydrophobicContact CB-CB 4.17Å; D625-V628 HydrophobicContact CB-CG2 3.93Å; D625-V628 WeakPolarHBondContact OD1-CG2 3.28Å; D625-V628 PolarHBondContact OD1-N 3.01Å; D625-L629 WeakPolarHBondContact O-CB 3.24Å; D625-L629 VanDerWaalsContact O-CD1 3.26Å; D625-L629 WeakPolarHBondContact O-CD1 3.38Å; D625-L629 WeakPolarHBondContact O-CG 3.48Å
626	T	94.7	Very high	97.3	Very high	62 Å²	62	35.6 Å²	35.6	38%	0.38	18%	0.176	S	C	.	.	H	α-helix	trans	-71.9	-41.7	-177.7	38.5	0	0	0	0	112.5	L629 E630	T626-L629 PolarHBondContact O-N 2.79Å; T626-E630 PolarHBondContact O-N 2.89Å
627	D	95.6	Very high	97.2	Very high	93 Å²	93	38.6 Å²	38.6	50%	0.497	19%	0.19	S	C	.	.	H	α-helix	trans	-84.5	-35.8	-163.6	-57	11.1	0	0	0	109.2	T586 D625 L629 E630 A631	T586-D627 HydrophobicContact CG2-CB 4.05Å; D625-D627 PolarHBondContact OD1-N 3.17Å; D627-L629 VanDerWaalsContact C-N 3.28Å; D627-L629 PolarHBondContact O-N 2.86Å; D627-E630 PolarHBondContact O-N 3.32Å; D627-A631 WeakPolarHBondContact O-CB 3.22Å; D627-A631 PolarHBondContact O-N 2.76Å
628	V	98.1	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-42.8	165.9	176.8	0	0	0	0	111.2	A582 V585 T586 L589 I619 H623 D625 C632	A582-V628 HydrophobicContact CB-CG2 3.68Å; A582-V628 WeakPolarHBondContact O-CG2 3.44Å; V585-V628 HydrophobicContact CG2-CB 4.31Å; V585-V628 HydrophobicContact CG2-CG1 3.71Å; V585-V628 HydrophobicContact CG2-CG2 3.69Å; T586-V628 WeakPolarHBondContact OG1-CA 3.33Å; T586-V628 VanDerWaalsContact OG1-CG2 3.27Å; T586-V628 WeakPolarHBondContact OG1-CG2 3.28Å; T586-V628 PolarHBondContact OG1-N 3.34Å; L589-V628 HydrophobicContact CD1-CG1 4.49Å; I619-V628 HydrophobicContact CG2-CG1 3.46Å; I619-V628 VanDerWaalsContact CG2-CG1 3.46Å; H623-V628 HydrophobicContact CB-CB 4.31Å; H623-V628 HydrophobicContact CB-CG1 3.72Å; D625-V628 HydrophobicContact CB-CB 4.17Å; D625-V628 HydrophobicContact CB-CG2 3.93Å; D625-V628 WeakPolarHBondContact OD1-CG2 3.28Å; D625-V628 PolarHBondContact OD1-N 3.01Å; V628-C632 WeakPolarHBondContact O-CB 3.27Å; V628-C632 PolarHBondContact O-N 3.07Å; V628-C632 PolarHBondContact O-SG 2.8Å
629	L	98.3	Very high	97.1	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-76.6	-37.1	-176.9	-69.3	176.1	0	0	0	112.2	V620 D625 T626 D627 C632 S633 K692 R693 A696	V620-L629 HydrophobicContact CB-CD2 4.36Å; V620-L629 HydrophobicContact CG1-CD2 4.06Å; V620-L629 HydrophobicContact CG2-CD2 4.35Å; D625-L629 WeakPolarHBondContact O-CB 3.24Å; D625-L629 VanDerWaalsContact O-CD1 3.26Å; D625-L629 WeakPolarHBondContact O-CD1 3.38Å; D625-L629 WeakPolarHBondContact O-CG 3.48Å; T626-L629 PolarHBondContact O-N 2.79Å; D627-L629 VanDerWaalsContact C-N 3.28Å; D627-L629 PolarHBondContact O-N 2.86Å; L629-C632 PolarHBondContact O-N 2.89Å; L629-S633 PolarHBondContact O-N 3.05Å; L629-K692 HydrophobicContact CD1-CB 3.96Å; L629-R693 HydrophobicContact CD1-CG 3.84Å; L629-R693 HydrophobicContact CD2-CG 3.8Å; L629-A696 HydrophobicContact CB-CB 3.79Å
630	E	97.2	Very high	97	Very high	87 Å²	87	35.5 Å²	35.5	41%	0.407	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-48.2	169.8	-172.9	-178	134.1	0	0	110.8	T626 D627 C632 S633 K634	T626-E630 PolarHBondContact O-N 2.89Å; D627-E630 PolarHBondContact O-N 3.32Å; E630-C632 VanDerWaalsContact C-N 3.29Å; E630-C632 PolarHBondContact O-N 3.13Å; E630-S633 CarbonylContact O-C 3.54Å; E630-S633 PolarHBondContact O-N 3.36Å; E630-K634 HydrophobicContact CG-CD 4.08Å; E630-K634 HydrophobicContact CG-CG 4.33Å; E630-K634 PolarHBondContact O-N 2.84Å; E630-K634 WeakPolarHBondContact OE1-CD 3.46Å; E630-K634 VanDerWaalsContact OE1-CE 3.25Å; E630-K634 WeakPolarHBondContact OE1-CE 3.43Å; E630-K634 IonicContact OE1-NZ 2.89Å; E630-K634 PolarHBondContact OE1-NZ 2.91Å
631	A	97.4	Very high	96.8	Very high	8 Å²	8	38.3 Å²	38.3	7%	0.066	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-37.6	178.4	0	0	0	0	0	111.8	T586 L589 D627 T635	T586-A631 HydrophobicContact CG2-CB 4.22Å; L589-A631 HydrophobicContact CB-CB 3.78Å; L589-A631 HydrophobicContact CD1-CB 3.94Å; D627-A631 WeakPolarHBondContact O-CB 3.22Å; D627-A631 PolarHBondContact O-N 2.76Å; A631-T635 WeakPolarHBondContact O-CB 3.37Å; A631-T635 PolarHBondContact O-N 3.31Å; A631-T635 VanDerWaalsContact O-N 3.11Å; A631-T635 PolarHBondContact O-OG1 3.06Å; A631-T635 VanDerWaalsContact O-OG1 3.05Å
632	C	98.4	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.3	170.4	-73.9	0	0	0	0	112.3	L589 I616 V620 V628 L629 E630 Y636 F697	L589-C632 WeakPolarHBondContact CD1-SG 3.41Å; I616-C632 HydrophobicContact CG2-CB 3.93Å; V620-C632 HydrophobicContact CG2-CB 3.53Å; V628-C632 WeakPolarHBondContact O-CB 3.27Å; V628-C632 PolarHBondContact O-N 3.07Å; V628-C632 PolarHBondContact O-SG 2.8Å; L629-C632 PolarHBondContact O-N 2.89Å; E630-C632 VanDerWaalsContact C-N 3.29Å; E630-C632 PolarHBondContact O-N 3.13Å; C632-Y636 PolarHBondContact O-N 2.88Å; C632-F697 HydrophobicContact CB-CE2 4.08Å; C632-F697 HydrophobicContact CB-CZ 4.12Å
633	S	98.3	Very high	96.7	Very high	2 Å²	2	44 Å²	44	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-69.3	-51.9	-179	179.6	0	0	0	0	112.6	L629 E630 T635 Y636 H637 A696 H701	L629-S633 PolarHBondContact O-N 3.05Å; E630-S633 CarbonylContact O-C 3.54Å; E630-S633 PolarHBondContact O-N 3.36Å; S633-T635 PolarHBondContact O-N 3.35Å; S633-Y636 CarbonylContact O-C 3.58Å; S633-Y636 PolarHBondContact O-N 3.39Å; S633-Y636 VanDerWaalsContact O-N 3.12Å; S633-H637 PolarHBondContact O-N 3.02Å; S633-A696 WeakPolarHBondContact CB-O 3.35Å; S633-A696 PolarHBondContact OG-O 3.29Å; S633-H701 PolarHBondContact O-NE2 3.25Å
634	K	97.1	Very high	96.5	Very high	70 Å²	70	45.5 Å²	45.5	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-57.9	-35.4	176.4	-80.5	-177.2	166.8	167.1	0	112.3	E630 H637 A638 E1260	E630-K634 HydrophobicContact CG-CD 4.08Å; E630-K634 HydrophobicContact CG-CG 4.33Å; E630-K634 PolarHBondContact O-N 2.84Å; E630-K634 WeakPolarHBondContact OE1-CD 3.46Å; E630-K634 VanDerWaalsContact OE1-CE 3.25Å; E630-K634 WeakPolarHBondContact OE1-CE 3.43Å; E630-K634 IonicContact OE1-NZ 2.89Å; E630-K634 PolarHBondContact OE1-NZ 2.91Å; K634-H637 WeakPolarHBondContact O-CB 3.48Å; K634-H637 PolarHBondContact O-N 2.95Å; K634-A638 PolarHBondContact O-N 3.27Å; K634-E1260 IonicContact NZ-OE2 2.7Å
635	T	97.8	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-77.2	-33.6	176.7	-65.4	0	0	0	0	113	L589 P592 Q593 I616 A631 S633 H637 L639	L589-T635 WeakPolarHBondContact O-CB 3.25Å; L589-T635 WeakPolarHBondContact O-CG2 3.38Å; L589-T635 PolarHBondContact O-OG1 3.34Å; P592-T635 HydrophobicContact CB-CG2 4.01Å; P592-T635 HydrophobicContact CG-CG2 3.74Å; Q593-T635 PolarHBondContact NE2-OG1 3.13Å; I616-T635 HydrophobicContact CD1-CG2 3.96Å; A631-T635 WeakPolarHBondContact O-CB 3.37Å; A631-T635 PolarHBondContact O-N 3.31Å; A631-T635 VanDerWaalsContact O-N 3.11Å; A631-T635 PolarHBondContact O-OG1 3.06Å; A631-T635 VanDerWaalsContact O-OG1 3.05Å; S633-T635 PolarHBondContact O-N 3.35Å; T635-H637 VanDerWaalsContact C-N 3.27Å; T635-H637 PolarHBondContact O-N 3.23Å; T635-L639 HydrophobicContact CG2-CD1 4.23Å; T635-L639 WeakPolarHBondContact O-CB 3.28Å; T635-L639 VanDerWaalsContact O-CG 3.25Å; T635-L639 WeakPolarHBondContact O-CG 3.36Å; T635-L639 PolarHBondContact O-N 2.94Å; T635-L639 VanDerWaalsContact O-N 3.16Å
636	Y	98	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-33.7	164.8	-102.1	-77.8	0	0	0	111.8	L613 I616 C632 S633 C640 V650 S653 R654 L657 F697 H701	L613-Y636 HydrophobicContact CD2-CD1 4.44Å; L613-Y636 HydrophobicContact CD2-CE1 3.82Å; L613-Y636 PolarHBondContact O-OH 3.15Å; I616-Y636 HydrophobicContact CB-CE2 4.07Å; I616-Y636 HydrophobicContact CG2-CD2 3.77Å; I616-Y636 HydrophobicContact CG2-CE2 3.58Å; C632-Y636 PolarHBondContact O-N 2.88Å; S633-Y636 CarbonylContact O-C 3.58Å; S633-Y636 PolarHBondContact O-N 3.39Å; S633-Y636 VanDerWaalsContact O-N 3.12Å; Y636-C640 VanDerWaalsContact O-CB 3.29Å; Y636-C640 WeakPolarHBondContact O-CB 3.2Å; Y636-C640 PolarHBondContact O-N 3.17Å; Y636-C640 PolarHBondContact O-SG 3.36Å; Y636-V650 HydrophobicContact CD1-CG1 3.91Å; Y636-V650 HydrophobicContact CE1-CG1 4.14Å; Y636-S653 PolarHBondContact OH-OG 3.01Å; Y636-R654 HydrophobicContact CD1-CB 4.07Å; Y636-R654 HydrophobicContact CE1-CB 4.12Å; Y636-L657 HydrophobicContact CE2-CD2 4.1Å; Y636-F697 AromaticContact CD2-CE1 3.66Å; Y636-F697 HydrophobicContact CD2-CE1 3.66Å; Y636-F697 AromaticContact CD2-CZ 3.78Å; Y636-F697 HydrophobicContact CD2-CZ 3.78Å; Y636-F697 HydrophobicContact CE2-CE1 4.3Å; Y636-F697 HydrophobicContact CE2-CZ 4.32Å; Y636-F697 AromaticContact CG-CE1 3.98Å; Y636-F697 HydrophobicContact CG-CE1 3.98Å; Y636-H701 PolarHBondContact O-NE2 2.88Å; Y636-H701 VanDerWaalsContact O-NE2 3.15Å
637	H	97.1	Very high	96.5	Very high	64 Å²	64	44.8 Å²	44.8	30%	0.296	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-52.8	177.4	-179.2	-128.6	0	0	0	111.4	S633 K634 T635 L639 C640 A700 H701	S633-H637 PolarHBondContact O-N 3.02Å; K634-H637 WeakPolarHBondContact O-CB 3.48Å; K634-H637 PolarHBondContact O-N 2.95Å; T635-H637 VanDerWaalsContact C-N 3.27Å; T635-H637 PolarHBondContact O-N 3.23Å; H637-L639 VanDerWaalsContact C-N 3.25Å; H637-L639 PolarHBondContact O-N 3.14Å; H637-C640 CarbonylContact O-C 3.57Å; H637-C640 WeakPolarHBondContact O-CA 3.2Å; H637-C640 PolarHBondContact O-N 2.89Å; H637-A700 HydrophobicContact CB-CB 3.97Å; H637-H701 WeakPolarHBondContact CA-NE2 3.47Å; H637-H701 WeakPolarHBondContact CB-NE2 3.3Å; H637-H701 AromaticContact CD2-CE1 3.71Å; H637-H701 PolarHBondContact N-NE2 2.92Å
638	A	96.6	Very high	96.5	Very high	29 Å²	29	45.7 Å²	45.7	24%	0.24	23%	0.232	C	C	.	.	H	α-helix	trans	-56.2	-38.4	176.6	0	0	0	0	0	112.8	Q593 L597 K634 C640	Q593-A638 HydrophobicContact CG-CB 4.09Å; L597-A638 VanDerWaalsContact CD1-O 3.26Å; L597-A638 WeakPolarHBondContact CD1-O 3.48Å; K634-A638 PolarHBondContact O-N 3.27Å; A638-C640 VanDerWaalsContact C-N 3.33Å
639	L	97.1	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-75.6	-17.7	175.8	-67.3	173.1	0	0	0	113.7	P592 L597 Y600 L609 L612 L613 I616 T635 H637 I646 V650	P592-L639 HydrophobicContact CB-CD2 4.32Å; L597-L639 HydrophobicContact CD2-CD2 3.86Å; Y600-L639 HydrophobicContact CE2-CD2 4.26Å; L609-L639 HydrophobicContact CD1-CD1 4.26Å; L609-L639 HydrophobicContact CD1-CD2 4.19Å; L612-L639 HydrophobicContact CD2-CD1 4.23Å; L613-L639 HydrophobicContact CD2-CD1 4.11Å; I616-L639 HydrophobicContact CD1-CD1 4.49Å; T635-L639 HydrophobicContact CG2-CD1 4.23Å; T635-L639 WeakPolarHBondContact O-CB 3.28Å; T635-L639 VanDerWaalsContact O-CG 3.25Å; T635-L639 WeakPolarHBondContact O-CG 3.36Å; T635-L639 PolarHBondContact O-N 2.94Å; T635-L639 VanDerWaalsContact O-N 3.16Å; H637-L639 VanDerWaalsContact C-N 3.25Å; H637-L639 PolarHBondContact O-N 3.14Å; L639-I646 HydrophobicContact CD2-CD1 4.17Å; L639-V650 HydrophobicContact CB-CG1 3.8Å; L639-V650 HydrophobicContact CB-CG2 4.1Å; L639-V650 WeakPolarHBondContact O-CG2 3.39Å
640	C	96.2	Very high	96.5	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.074	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	29.1	175.4	-72.2	0	0	0	0	113.5	Y636 H637 A638 E642 F647 V650	Y636-C640 VanDerWaalsContact O-CB 3.29Å; Y636-C640 WeakPolarHBondContact O-CB 3.2Å; Y636-C640 PolarHBondContact O-N 3.17Å; Y636-C640 PolarHBondContact O-SG 3.36Å; H637-C640 CarbonylContact O-C 3.57Å; H637-C640 WeakPolarHBondContact O-CA 3.2Å; H637-C640 PolarHBondContact O-N 2.89Å; A638-C640 VanDerWaalsContact C-N 3.33Å; C640-E642 PolarHBondContact O-N 2.81Å; C640-F647 HydrophobicContact CB-CD2 4.48Å; C640-F647 HydrophobicContact CB-CE2 4.37Å; C640-F647 WeakPolarHBondContact O-CD2 3.31Å; C640-F647 VanDerWaalsContact O-CE2 3.24Å; C640-F647 WeakPolarHBondContact O-CE2 3.3Å; C640-V650 WeakPolarHBondContact SG-CG1 3.29Å
641	N	93.6	Very high	96.5	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	24%	0.238	S	C	.	.			trans	-75.1	121.7	172.3	-178.8	-22.7	0	0	0	111.1	E643 F644	N641-E643 VanDerWaalsContact C-N 3.26Å; N641-E643 PolarHBondContact O-N 3.24Å; N641-E643 VanDerWaalsContact OD1-CB 3.3Å; N641-E643 WeakPolarHBondContact OD1-CB 3.47Å; N641-E643 WeakPolarHBondContact OD1-CG 3.33Å; N641-E643 PolarHBondContact OD1-N 3.45Å; N641-F644 HydrophobicContact CB-CD2 4.02Å; N641-F644 PolarHBondContact O-N 3.29Å
642	E	92.3	Very high	96.5	Very high	159 Å²	159	52.2 Å²	52.2	74%	0.743	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20	-178.9	-73	-167.7	-168.7	0	0	114.9	C640 F644 F647	C640-E642 PolarHBondContact O-N 2.81Å; E642-F644 PolarHBondContact O-N 2.9Å; E642-F647 HydrophobicContact CB-CD2 4.32Å; E642-F647 HydrophobicContact CG-CD1 4.45Å; E642-F647 HydrophobicContact CG-CD2 3.63Å; E642-F647 HydrophobicContact CG-CE1 4.27Å; E642-F647 HydrophobicContact CG-CE2 3.4Å; E642-F647 HydrophobicContact CG-CG 4.16Å; E642-F647 HydrophobicContact CG-CZ 3.75Å
643	E	94.9	Very high	96.4	Very high	167 Å²	167	53.1 Å²	53.1	78%	0.78	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.6	176.7	-61.6	-173.9	136.1	0	0	112.5	N641	N641-E643 VanDerWaalsContact C-N 3.26Å; N641-E643 PolarHBondContact O-N 3.24Å; N641-E643 VanDerWaalsContact OD1-CB 3.3Å; N641-E643 WeakPolarHBondContact OD1-CB 3.47Å; N641-E643 WeakPolarHBondContact OD1-CG 3.33Å; N641-E643 PolarHBondContact OD1-N 3.45Å
644	F	94.7	Very high	96.4	Very high	52 Å²	52	54.9 Å²	54.9	23%	0.228	27%	0.273	C	S	.	.	S	Bend	trans	-104.9	141.4	-173.8	-64.5	-87.3	0	0	0	113.1	L597 E598 N641 E642 I646 F647	L597-F644 HydrophobicContact CB-CB 4.27Å; L597-F644 HydrophobicContact CB-CD1 3.59Å; L597-F644 HydrophobicContact CB-CD2 4.09Å; L597-F644 HydrophobicContact CB-CE1 3.86Å; L597-F644 HydrophobicContact CB-CE2 4.33Å; L597-F644 HydrophobicContact CB-CG 3.71Å; L597-F644 HydrophobicContact CB-CZ 4.22Å; L597-F644 HydrophobicContact CD1-CD2 4.07Å; L597-F644 HydrophobicContact CD1-CE2 4.31Å; L597-F644 HydrophobicContact CD1-CG 4.43Å; E598-F644 HydrophobicContact CB-CD1 4.36Å; E598-F644 HydrophobicContact CB-CE1 4.26Å; N641-F644 HydrophobicContact CB-CD2 4.02Å; N641-F644 PolarHBondContact O-N 3.29Å; E642-F644 PolarHBondContact O-N 2.9Å; F644-I646 HydrophobicContact CB-CG1 4.11Å; F644-I646 PolarHBondContact O-N 3.26Å; F644-F647 WeakPolarHBondContact O-CB 3.25Å; F644-F647 PolarHBondContact O-N 3.49Å
645	T	94.6	Very high	96.4	Very high	103 Å²	103	53.1 Å²	53.1	63%	0.632	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-10	-177.8	48.8	0	0	0	0	114.9	T601	T601-T645 PolarHBondContact OG1-OG1 3.13Å
646	I	96.3	Very high	96.4	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.6	174.5	65.6	171.9	0	0	0	113.7	L597 Y600 L609 L639 F644 N648 R649 V650	L597-I646 HydrophobicContact CB-CD1 4.09Å; L597-I646 HydrophobicContact CD1-CD1 4.31Å; L597-I646 HydrophobicContact CD2-CD1 4.16Å; L597-I646 HydrophobicContact CG-CD1 4.41Å; Y600-I646 HydrophobicContact CD2-CD1 4.32Å; L609-I646 HydrophobicContact CD2-CB 3.87Å; L609-I646 HydrophobicContact CD2-CD1 4.2Å; L609-I646 HydrophobicContact CD2-CG2 3.88Å; L639-I646 HydrophobicContact CD2-CD1 4.17Å; F644-I646 HydrophobicContact CB-CG1 4.11Å; F644-I646 PolarHBondContact O-N 3.26Å; I646-N648 PolarHBondContact O-N 3.28Å; I646-R649 WeakPolarHBondContact O-CB 3.49Å; I646-R649 PolarHBondContact O-N 3.45Å; I646-V650 HydrophobicContact CB-CG2 4.5Å; I646-V650 HydrophobicContact CD1-CG2 4.49Å; I646-V650 HydrophobicContact CG1-CG2 4.49Å; I646-V650 PolarHBondContact O-N 3.08Å
647	F	97.4	Very high	96.4	Very high	32 Å²	32	57.9 Å²	57.9	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-42.6	-57.9	-172.9	177.1	-94.4	0	0	0	113.6	C640 E642 F644 R649 V650 D651	C640-F647 HydrophobicContact CB-CD2 4.48Å; C640-F647 HydrophobicContact CB-CE2 4.37Å; C640-F647 WeakPolarHBondContact O-CD2 3.31Å; C640-F647 VanDerWaalsContact O-CE2 3.24Å; C640-F647 WeakPolarHBondContact O-CE2 3.3Å; E642-F647 HydrophobicContact CB-CD2 4.32Å; E642-F647 HydrophobicContact CG-CD1 4.45Å; E642-F647 HydrophobicContact CG-CD2 3.63Å; E642-F647 HydrophobicContact CG-CE1 4.27Å; E642-F647 HydrophobicContact CG-CE2 3.4Å; E642-F647 HydrophobicContact CG-CG 4.16Å; E642-F647 HydrophobicContact CG-CZ 3.75Å; F644-F647 WeakPolarHBondContact O-CB 3.25Å; F644-F647 PolarHBondContact O-N 3.49Å; F647-R649 PolarHBondContact O-N 3.3Å; F647-R649 VanDerWaalsContact O-N 3.1Å; F647-V650 PolarHBondContact O-N 2.99Å; F647-D651 HydrophobicContact CE1-CB 4.22Å; F647-D651 HydrophobicContact CZ-CB 4.37Å; F647-D651 PolarHBondContact O-N 3.47Å
648	N	95.8	Very high	96.4	Very high	112 Å²	112	54.9 Å²	54.9	60%	0.599	28%	0.277	S	S	*	.	H	α-helix	trans	-60	-27	-175.5	-62	-84.9	0	0	0	113.6	I646 I652	I646-N648 PolarHBondContact O-N 3.28Å; N648-I652 VanDerWaalsContact O-CD1 3.28Å; N648-I652 WeakPolarHBondContact O-CD1 3.45Å; N648-I652 VanDerWaalsContact O-CG1 3.25Å; N648-I652 WeakPolarHBondContact O-CG1 3.3Å
649	R	97	Very high	96.5	Very high	97 Å²	97	56.5 Å²	56.5	37%	0.366	28%	0.282	S	S	.	.	H	α-helix	trans	-78.1	-40.2	177.4	178.8	-172.5	-71	-104.2	7.3	110.9	E606 D610 I646 F647	E606-R649 VanDerWaalsContact CB-CZ 3.49Å; D610-R649 WeakPolarHBondContact OD1-CD 3.39Å; D610-R649 IonicContact OD1-CZ 3.2Å; D610-R649 IonicContact OD1-NE 2.71Å; D610-R649 IonicContact OD1-NH1 2.73Å; D610-R649 PolarHBondContact OD1-NH1 2.84Å; D610-R649 IonicContact OD2-NH1 3.49Å; D610-R649 PolarHBondContact OD2-NH1 2.94Å; I646-R649 WeakPolarHBondContact O-CB 3.49Å; I646-R649 PolarHBondContact O-N 3.45Å; F647-R649 PolarHBondContact O-N 3.3Å; F647-R649 VanDerWaalsContact O-N 3.1Å
650	V	97.8	Very high	96.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-42.5	179	-174.1	0	0	0	0	110.5	L609 L613 Y636 L639 C640 I646 F647 I652 S653 R654	L609-V650 HydrophobicContact CD2-CG2 4.2Å; L613-V650 HydrophobicContact CD1-CG2 4.23Å; L613-V650 HydrophobicContact CD2-CG1 3.91Å; L613-V650 HydrophobicContact CD2-CG2 4.45Å; Y636-V650 HydrophobicContact CD1-CG1 3.91Å; Y636-V650 HydrophobicContact CE1-CG1 4.14Å; L639-V650 HydrophobicContact CB-CG1 3.8Å; L639-V650 HydrophobicContact CB-CG2 4.1Å; L639-V650 WeakPolarHBondContact O-CG2 3.39Å; C640-V650 WeakPolarHBondContact SG-CG1 3.29Å; I646-V650 HydrophobicContact CB-CG2 4.5Å; I646-V650 HydrophobicContact CD1-CG2 4.49Å; I646-V650 HydrophobicContact CG1-CG2 4.49Å; I646-V650 PolarHBondContact O-N 3.08Å; F647-V650 PolarHBondContact O-N 2.99Å; V650-I652 VanDerWaalsContact C-N 3.33Å; V650-I652 PolarHBondContact O-N 3.47Å; V650-S653 WeakPolarHBondContact O-CB 3.35Å; V650-S653 PolarHBondContact O-N 3.37Å; V650-R654 PolarHBondContact O-N 3.44Å
651	D	97.3	Very high	96.6	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.193	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-37.2	179.4	-173.5	49.7	0	0	0	113	F647 S653 R654 S655	F647-D651 HydrophobicContact CE1-CB 4.22Å; F647-D651 HydrophobicContact CZ-CB 4.37Å; F647-D651 PolarHBondContact O-N 3.47Å; D651-S653 VanDerWaalsContact C-N 3.35Å; D651-S653 PolarHBondContact O-N 3.33Å; D651-R654 PolarHBondContact O-N 2.87Å; D651-R654 IonicContact OD1-CZ 2.84Å; D651-R654 VanDerWaalsContact OD1-CZ 3.32Å; D651-R654 IonicContact OD1-NE 3.27Å; D651-R654 PolarHBondContact OD1-NE 3.14Å; D651-R654 VanDerWaalsContact OD1-NE 3.1Å; D651-R654 IonicContact OD1-NH2 2.71Å; D651-R654 PolarHBondContact OD1-NH2 2.93Å; D651-S655 PolarHBondContact O-N 2.78Å
652	I	97.8	Very high	96.7	Very high	101 Å²	101	58.7 Å²	58.7	52%	0.518	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-43.5	173.2	-69.9	167.7	0	0	0	111	N648 V650 Q656	N648-I652 VanDerWaalsContact O-CD1 3.28Å; N648-I652 WeakPolarHBondContact O-CD1 3.45Å; N648-I652 VanDerWaalsContact O-CG1 3.25Å; N648-I652 WeakPolarHBondContact O-CG1 3.3Å; V650-I652 VanDerWaalsContact C-N 3.33Å; V650-I652 PolarHBondContact O-N 3.47Å; I652-Q656 VanDerWaalsContact O-CG 3.29Å; I652-Q656 WeakPolarHBondContact O-CG 3.5Å; I652-Q656 PolarHBondContact O-N 2.91Å
653	S	97.6	Very high	96.9	Very high	19 Å²	19	56.1 Å²	56.1	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-38.6	176.7	-169.4	0	0	0	0	112	Y636 V650 D651 L657	Y636-S653 PolarHBondContact OH-OG 3.01Å; V650-S653 WeakPolarHBondContact O-CB 3.35Å; V650-S653 PolarHBondContact O-N 3.37Å; D651-S653 VanDerWaalsContact C-N 3.35Å; D651-S653 PolarHBondContact O-N 3.33Å; S653-L657 PolarHBondContact O-N 3.43Å
654	R	97.6	Very high	97	Very high	39 Å²	39	51.3 Å²	51.3	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-53	174.5	177.7	174.9	65.5	173.3	-3.6	111	Y636 V650 D651 Q656 L657 I658 H701	Y636-R654 HydrophobicContact CD1-CB 4.07Å; Y636-R654 HydrophobicContact CE1-CB 4.12Å; V650-R654 PolarHBondContact O-N 3.44Å; D651-R654 PolarHBondContact O-N 2.87Å; D651-R654 IonicContact OD1-CZ 2.84Å; D651-R654 VanDerWaalsContact OD1-CZ 3.32Å; D651-R654 IonicContact OD1-NE 3.27Å; D651-R654 PolarHBondContact OD1-NE 3.14Å; D651-R654 VanDerWaalsContact OD1-NE 3.1Å; D651-R654 IonicContact OD1-NH2 2.71Å; D651-R654 PolarHBondContact OD1-NH2 2.93Å; R654-Q656 VanDerWaalsContact C-N 3.35Å; R654-Q656 PolarHBondContact O-N 2.97Å; R654-L657 PolarHBondContact O-N 2.94Å; R654-I658 WeakPolarHBondContact O-CG1 3.29Å; R654-I658 PolarHBondContact O-N 3.38Å; R654-H701 PolarHBondContact NH1-CE1 3.5Å; R654-H701 VanDerWaalsContact NH1-CE1 3.28Å; R654-H701 PolarHBondContact NH1-ND1 2.89Å
655	S	97.3	Very high	97.1	Very high	32 Å²	32	48.8 Å²	48.8	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-51.7	179.6	-167.8	0	0	0	0	110.7	D651 L657 I658 D659	D651-S655 PolarHBondContact O-N 2.78Å; S655-L657 VanDerWaalsContact C-N 3.28Å; S655-L657 PolarHBondContact O-N 3.37Å; S655-I658 PolarHBondContact O-N 3.21Å; S655-D659 WeakPolarHBondContact O-CB 3.3Å; S655-D659 PolarHBondContact O-N 2.76Å; S655-D659 PolarHBondContact OG-OD2 2.85Å
656	Q	97.6	Very high	97.1	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-37.7	-179.3	-71.7	172	1.5	0	0	113.2	I652 R654 E660	I652-Q656 VanDerWaalsContact O-CG 3.29Å; I652-Q656 WeakPolarHBondContact O-CG 3.5Å; I652-Q656 PolarHBondContact O-N 2.91Å; R654-Q656 VanDerWaalsContact C-N 3.35Å; R654-Q656 PolarHBondContact O-N 2.97Å; Q656-E660 WeakPolarHBondContact O-CG 3.45Å; Q656-E660 PolarHBondContact O-N 3.02Å
657	L	97.9	Very high	97	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-43.6	174.4	175.2	57.3	0	0	0	111.9	R617 V620 Y636 S653 R654 S655 L661 F697	R617-L657 HydrophobicContact CG-CD1 4.23Å; V620-L657 HydrophobicContact CG1-CD1 4.19Å; V620-L657 HydrophobicContact CG1-CD2 4.39Å; V620-L657 HydrophobicContact CG2-CD2 4.43Å; Y636-L657 HydrophobicContact CE2-CD2 4.1Å; S653-L657 PolarHBondContact O-N 3.43Å; R654-L657 PolarHBondContact O-N 2.94Å; S655-L657 VanDerWaalsContact C-N 3.28Å; S655-L657 PolarHBondContact O-N 3.37Å; L657-L661 HydrophobicContact CD1-CD1 3.88Å; L657-L661 HydrophobicContact CD1-CG 4.19Å; L657-L661 HydrophobicContact CG-CD1 4.06Å; L657-L661 WeakPolarHBondContact O-CB 3.26Å; L657-L661 VanDerWaalsContact O-CG 3.27Å; L657-L661 WeakPolarHBondContact O-CG 3.44Å; L657-L661 PolarHBondContact O-N 3.34Å; L657-L661 VanDerWaalsContact O-N 3.09Å; L657-F697 HydrophobicContact CD2-CE1 3.79Å; L657-F697 HydrophobicContact CD2-CE2 4.43Å; L657-F697 HydrophobicContact CD2-CZ 3.73Å
658	I	98	Very high	96.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-71.6	-39.9	179.7	-56.5	-54.5	0	0	0	111.9	R654 S655 E660 L661 A662 F697 L703 W706	R654-I658 WeakPolarHBondContact O-CG1 3.29Å; R654-I658 PolarHBondContact O-N 3.38Å; S655-I658 PolarHBondContact O-N 3.21Å; I658-E660 VanDerWaalsContact C-N 3.32Å; I658-E660 PolarHBondContact O-N 3.36Å; I658-L661 HydrophobicContact CD1-CD1 4.47Å; I658-L661 PolarHBondContact O-N 2.9Å; I658-A662 VanDerWaalsContact O-CB 3.29Å; I658-A662 WeakPolarHBondContact O-CB 3.25Å; I658-A662 PolarHBondContact O-N 2.67Å; I658-F697 HydrophobicContact CD1-CB 3.73Å; I658-F697 HydrophobicContact CD1-CD1 3.84Å; I658-F697 HydrophobicContact CD1-CG 3.97Å; I658-L703 HydrophobicContact CD1-CD1 3.99Å; I658-L703 HydrophobicContact CD1-CD2 4.19Å; I658-L703 HydrophobicContact CG1-CD1 4.4Å; I658-L703 HydrophobicContact CG1-CD2 3.87Å; I658-L703 HydrophobicContact CG2-CD1 3.96Å; I658-L703 HydrophobicContact CG2-CD2 4.07Å; I658-L703 HydrophobicContact CG2-CG 4.46Å; I658-W706 HydrophobicContact CB-CH2 4.01Å; I658-W706 HydrophobicContact CB-CZ2 3.96Å; I658-W706 HydrophobicContact CB-CZ3 4.31Å; I658-W706 HydrophobicContact CG2-CD2 3.6Å; I658-W706 HydrophobicContact CG2-CE3 3.63Å; I658-W706 HydrophobicContact CG2-CG 4.23Å; I658-W706 HydrophobicContact CG2-CH2 3.96Å; I658-W706 HydrophobicContact CG2-CZ2 3.91Å; I658-W706 HydrophobicContact CG2-CZ3 3.83Å
659	D	97.7	Very high	96.7	Very high	64 Å²	64	48.9 Å²	48.9	34%	0.342	23%	0.233	S	C	.	.	H	α-helix	trans	-53	-50.5	175	-71.9	-49.5	0	0	0	110.3	S655 D663 W706	S655-D659 WeakPolarHBondContact O-CB 3.3Å; S655-D659 PolarHBondContact O-N 2.76Å; S655-D659 PolarHBondContact OG-OD2 2.85Å; D659-D663 WeakPolarHBondContact O-CB 3.36Å; D659-D663 PolarHBondContact O-N 3.07Å; D659-W706 WeakPolarHBondContact OD1-CZ2 3.35Å; D659-W706 PolarHBondContact OD1-NE1 2.99Å
660	E	97.3	Very high	96.4	Very high	101 Å²	101	50.7 Å²	50.7	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-70.2	-35	179.9	-69.2	178.5	-127.9	0	0	113.7	R617 Q656 I658 K664	R617-E660 IonicContact CZ-OE1 2.71Å; R617-E660 VanDerWaalsContact CZ-OE1 3.25Å; R617-E660 IonicContact CZ-OE2 3.62Å; R617-E660 IonicContact NH1-OE1 2.92Å; R617-E660 PolarHBondContact NH1-OE1 3.35Å; R617-E660 IonicContact NH1-OE2 2.79Å; R617-E660 IonicContact NH2-OE1 3.49Å; R617-E660 PolarHBondContact NH2-OE1 3.15Å; R617-E660 IonicContact NH2-OE2 2.66Å; R617-E660 PolarHBondContact NH2-OE2 2.92Å; Q656-E660 WeakPolarHBondContact O-CG 3.45Å; Q656-E660 PolarHBondContact O-N 3.02Å; I658-E660 VanDerWaalsContact C-N 3.32Å; I658-E660 PolarHBondContact O-N 3.36Å; E660-K664 WeakPolarHBondContact O-CB 3.49Å; E660-K664 PolarHBondContact O-N 3.07Å
661	L	97.4	Very high	96.1	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-43.9	175.1	-74.8	172.2	0	0	0	112	V620 L657 I658 K664 F665 T690 R693 I694	V620-L661 HydrophobicContact CG1-CD1 4.4Å; L657-L661 HydrophobicContact CD1-CD1 3.88Å; L657-L661 HydrophobicContact CD1-CG 4.19Å; L657-L661 HydrophobicContact CG-CD1 4.06Å; L657-L661 WeakPolarHBondContact O-CB 3.26Å; L657-L661 VanDerWaalsContact O-CG 3.27Å; L657-L661 WeakPolarHBondContact O-CG 3.44Å; L657-L661 PolarHBondContact O-N 3.34Å; L657-L661 VanDerWaalsContact O-N 3.09Å; I658-L661 HydrophobicContact CD1-CD1 4.47Å; I658-L661 PolarHBondContact O-N 2.9Å; L661-K664 PolarHBondContact O-N 3.35Å; L661-F665 WeakPolarHBondContact O-CB 3.25Å; L661-F665 PolarHBondContact O-N 2.82Å; L661-T690 HydrophobicContact CD2-CG2 4.42Å; L661-R693 HydrophobicContact CD1-CB 4.11Å; L661-R693 HydrophobicContact CD2-CB 4Å; L661-I694 HydrophobicContact CB-CD1 4.39Å; L661-I694 HydrophobicContact CB-CG1 3.99Å
662	A	96.9	Very high	95.8	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-47.4	177.8	0	0	0	0	0	111.1	I658 K664 F665 N666 W706 L708	I658-A662 VanDerWaalsContact O-CB 3.29Å; I658-A662 WeakPolarHBondContact O-CB 3.25Å; I658-A662 PolarHBondContact O-N 2.67Å; A662-K664 VanDerWaalsContact C-N 3.28Å; A662-K664 PolarHBondContact O-N 2.82Å; A662-F665 PolarHBondContact O-N 3.19Å; A662-N666 WeakPolarHBondContact O-CB 3.37Å; A662-N666 VanDerWaalsContact O-CG 3.25Å; A662-N666 PolarHBondContact O-N 3.26Å; A662-N666 PolarHBondContact O-ND2 3.06Å; A662-W706 HydrophobicContact CB-CB 4.41Å; A662-W706 HydrophobicContact CB-CG 4.29Å; A662-L708 HydrophobicContact CB-CD2 4.28Å
663	D	96.4	Very high	95.4	Very high	104 Å²	104	52.9 Å²	52.9	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-64.9	-29.4	175.9	-86.3	-1.8	0	0	0	112.7	D659 R667	D659-D663 WeakPolarHBondContact O-CB 3.36Å; D659-D663 PolarHBondContact O-N 3.07Å; D663-R667 PolarHBondContact O-NE 2.92Å; D663-R667 PolarHBondContact O-NH2 2.92Å
664	K	96.3	Very high	94.9	Very high	66 Å²	66	56.8 Å²	56.8	29%	0.287	27%	0.273	S	S	.	.	H	α-helix	trans	-70.5	-47.7	170.2	-177.7	177.1	172.2	-179.4	0	111.4	E660 L661 A662 R667 L668 T690	E660-K664 WeakPolarHBondContact O-CB 3.49Å; E660-K664 PolarHBondContact O-N 3.07Å; L661-K664 PolarHBondContact O-N 3.35Å; A662-K664 VanDerWaalsContact C-N 3.28Å; A662-K664 PolarHBondContact O-N 2.82Å; K664-R667 PolarHBondContact O-N 3Å; K664-L668 HydrophobicContact CD-CD1 4.47Å; K664-L668 HydrophobicContact CG-CD1 4.03Å; K664-L668 HydrophobicContact CG-CG 4.42Å; K664-L668 WeakPolarHBondContact O-CG 3.43Å; K664-L668 PolarHBondContact O-N 3.45Å; K664-L668 VanDerWaalsContact O-N 3.07Å; K664-T690 HydrophobicContact CB-CG2 4.21Å; K664-T690 HydrophobicContact CD-CG2 4.11Å; K664-T690 WeakPolarHBondContact CE-OG1 3.27Å; K664-T690 HydrophobicContact CG-CG2 4.05Å
665	F	96.8	Very high	94	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-41.9	-176.7	-176.9	-123.9	0	0	0	112.5	L661 A662 R667 L668 L669 V687 T690 L691 I694 C711	L661-F665 WeakPolarHBondContact O-CB 3.25Å; L661-F665 PolarHBondContact O-N 2.82Å; A662-F665 PolarHBondContact O-N 3.19Å; F665-R667 PolarHBondContact O-N 3.48Å; F665-L668 PolarHBondContact O-N 2.93Å; F665-L669 HydrophobicContact CE1-CD2 4.48Å; F665-L669 HydrophobicContact CZ-CD2 4.33Å; F665-L669 WeakPolarHBondContact O-CB 3.49Å; F665-L669 PolarHBondContact O-N 2.92Å; F665-V687 HydrophobicContact CE2-CG1 4.3Å; F665-T690 HydrophobicContact CB-CG2 3.9Å; F665-L691 HydrophobicContact CE2-CB 3.97Å; F665-L691 HydrophobicContact CE2-CD1 4.23Å; F665-L691 HydrophobicContact CZ-CD1 3.91Å; F665-I694 HydrophobicContact CB-CD1 3.45Å; F665-I694 VanDerWaalsContact CB-CD1 3.45Å; F665-I694 HydrophobicContact CD1-CD1 3.86Å; F665-I694 HydrophobicContact CD2-CD1 4.49Å; F665-I694 HydrophobicContact CG-CD1 3.7Å; F665-C711 HydrophobicContact CD1-CB 4.25Å; F665-C711 HydrophobicContact CE1-CB 3.71Å
666	N	94.6	Very high	92.7	Very high	52 Å²	52	66.9 Å²	66.9	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-58.1	-46.5	176.7	-70.9	-27.9	0	0	0	111.9	A662 L669 E670 C711	A662-N666 WeakPolarHBondContact O-CB 3.37Å; A662-N666 VanDerWaalsContact O-CG 3.25Å; A662-N666 PolarHBondContact O-N 3.26Å; A662-N666 PolarHBondContact O-ND2 3.06Å; N666-L669 PolarHBondContact O-N 2.61Å; N666-E670 WeakPolarHBondContact O-CG 3.48Å; N666-E670 PolarHBondContact O-N 3.17Å; N666-E670 VanDerWaalsContact O-N 3.1Å; N666-C711 PolarHBondContact OD1-SG 3.22Å
667	R	94.4	Very high	91.7	Very high	158 Å²	158	68.5 Å²	68.5	60%	0.596	35%	0.347	S	S	*	.	H	α-helix	trans	-66.2	-44	178.5	-74.7	176.9	-71.6	150.3	-2.1	112.9	D663 K664 F665 L669 E670 D671	D663-R667 PolarHBondContact O-NE 2.92Å; D663-R667 PolarHBondContact O-NH2 2.92Å; K664-R667 PolarHBondContact O-N 3Å; F665-R667 PolarHBondContact O-N 3.48Å; R667-L669 PolarHBondContact O-N 3.15Å; R667-E670 PolarHBondContact O-N 2.76Å; R667-D671 PolarHBondContact O-N 3.31Å
668	L	95	Very high	90.8	Very high	36 Å²	36	77.8 Å²	77.8	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-36.9	175.8	-74	175	0	0	0	112	K664 F665 F672 Q686 V687 T690	K664-L668 HydrophobicContact CD-CD1 4.47Å; K664-L668 HydrophobicContact CG-CD1 4.03Å; K664-L668 HydrophobicContact CG-CG 4.42Å; K664-L668 WeakPolarHBondContact O-CG 3.43Å; K664-L668 PolarHBondContact O-N 3.45Å; K664-L668 VanDerWaalsContact O-N 3.07Å; F665-L668 PolarHBondContact O-N 2.93Å; L668-F672 WeakPolarHBondContact O-CB 3.2Å; L668-F672 PolarHBondContact O-N 3.1Å; L668-Q686 HydrophobicContact CD1-CB 4.11Å; L668-Q686 WeakPolarHBondContact CD1-O 3.39Å; L668-Q686 HydrophobicContact CD2-CB 3.95Å; L668-V687 HydrophobicContact CB-CG2 4.14Å; L668-T690 WeakPolarHBondContact CD1-OG1 3.25Å
669	L	93.1	Very high	90.3	Very high	5 Å²	5	80.6 Å²	80.6	3%	0.026	41%	0.409	C	S	.	.	H	α-helix	trans	-81.3	-13.5	-178.9	-161.3	68.7	0	0	0	113.6	F665 N666 R667 F672 L673 C711 L715	F665-L669 HydrophobicContact CE1-CD2 4.48Å; F665-L669 HydrophobicContact CZ-CD2 4.33Å; F665-L669 WeakPolarHBondContact O-CB 3.49Å; F665-L669 PolarHBondContact O-N 2.92Å; N666-L669 PolarHBondContact O-N 2.61Å; R667-L669 PolarHBondContact O-N 3.15Å; L669-F672 HydrophobicContact CD1-CD1 4.45Å; L669-L673 HydrophobicContact CD1-CD1 3.77Å; L669-L673 HydrophobicContact CD1-CG 3.93Å; L669-L673 HydrophobicContact CD2-CD1 4.35Å; L669-L673 HydrophobicContact CG-CD1 3.72Å; L669-L673 HydrophobicContact CG-CG 4.18Å; L669-L673 WeakPolarHBondContact O-CB 3.47Å; L669-L673 WeakPolarHBondContact O-CG 3.35Å; L669-C711 HydrophobicContact CD2-CB 3.54Å; L669-C711 WeakPolarHBondContact CD2-O 3.49Å; L669-L715 HydrophobicContact CD1-CB 4.3Å; L669-L715 HydrophobicContact CD1-CD1 3.89Å; L669-L715 HydrophobicContact CD1-CG 4.22Å
670	E	90.4	Very high	89.8	Confident	135 Å²	135	81.9 Å²	81.9	63%	0.631	42%	0.416	S	S	*	.	H	α-helix	trans	-76.7	-42.1	168.4	-76.3	178.6	160.9	0	0	111.3	N666 R667	N666-E670 WeakPolarHBondContact O-CG 3.48Å; N666-E670 PolarHBondContact O-N 3.17Å; N666-E670 VanDerWaalsContact O-N 3.1Å; R667-E670 PolarHBondContact O-N 2.76Å
671	D	90.8	Very high	89.5	Confident	116 Å²	116	85.5 Å²	85.5	62%	0.62	43%	0.433	S	S	*	.	H	α-helix	trans	-66.2	-56.1	171.6	-101.6	-12.1	0	0	0	111.3	R667 L673 Q674	R667-D671 PolarHBondContact O-N 3.31Å; D671-L673 PolarHBondContact O-N 2.81Å; D671-Q674 VanDerWaalsContact O-CB 3.29Å; D671-Q674 WeakPolarHBondContact O-CB 3.43Å; D671-Q674 PolarHBondContact O-N 2.69Å
672	F	92	Very high	89.3	Confident	23 Å²	23	90.6 Å²	90.6	10%	0.101	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.3	-171.7	-173.4	-98.1	0	0	0	114.7	L668 L669 P679 D683 A684 V687 M725 I729	L668-F672 WeakPolarHBondContact O-CB 3.2Å; L668-F672 PolarHBondContact O-N 3.1Å; L669-F672 HydrophobicContact CD1-CD1 4.45Å; F672-P679 HydrophobicContact CD2-CB 3.43Å; F672-P679 VanDerWaalsContact CD2-CB 3.43Å; F672-P679 HydrophobicContact CD2-CG 3.85Å; F672-P679 HydrophobicContact CE2-CB 3.54Å; F672-P679 HydrophobicContact CE2-CG 3.67Å; F672-P679 HydrophobicContact CG-CB 4.33Å; F672-P679 HydrophobicContact CG-CG 4.48Å; F672-P679 HydrophobicContact CZ-CG 4.17Å; F672-D683 HydrophobicContact CD2-CB 4.22Å; F672-A684 HydrophobicContact CE2-CB 3.96Å; F672-A684 HydrophobicContact CZ-CB 4.37Å; F672-V687 HydrophobicContact CB-CG2 3.84Å; F672-V687 HydrophobicContact CD1-CG2 4.18Å; F672-V687 HydrophobicContact CD2-CG2 3.83Å; F672-V687 HydrophobicContact CE2-CG2 4.43Å; F672-V687 HydrophobicContact CG-CG2 3.7Å; F672-M725 HydrophobicContact CE1-CE 4.03Å; F672-M725 HydrophobicContact CE1-SD 3.94Å; F672-M725 HydrophobicContact CZ-SD 4.26Å; F672-I729 HydrophobicContact CZ-CD1 4.25Å
673	L	89.3	Confident	89.1	Confident	45 Å²	45	94.1 Å²	94.1	24%	0.236	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	18.2	176.8	-58.1	-178.2	0	0	0	112.8	L669 D671 K714 T718	L669-L673 HydrophobicContact CD1-CD1 3.77Å; L669-L673 HydrophobicContact CD1-CG 3.93Å; L669-L673 HydrophobicContact CD2-CD1 4.35Å; L669-L673 HydrophobicContact CG-CD1 3.72Å; L669-L673 HydrophobicContact CG-CG 4.18Å; L669-L673 WeakPolarHBondContact O-CB 3.47Å; L669-L673 WeakPolarHBondContact O-CG 3.35Å; D671-L673 PolarHBondContact O-N 2.81Å; L673-K714 HydrophobicContact CD1-CB 3.84Å; L673-K714 HydrophobicContact CD1-CD 4.3Å; L673-T718 HydrophobicContact CD2-CG2 4.14Å
674	Q	87.2	Confident	89	Confident	100 Å²	100	89.8 Å²	89.8	47%	0.467	46%	0.457	S	S	.	.			trans	-74.1	123.7	179.8	-175.5	152.5	-98.6	0	0	111.9	D671 G676 E677	D671-Q674 VanDerWaalsContact O-CB 3.29Å; D671-Q674 WeakPolarHBondContact O-CB 3.43Å; D671-Q674 PolarHBondContact O-N 2.69Å; Q674-G676 PolarHBondContact O-N 2.88Å; Q674-E677 PolarHBondContact NE2-OE2 2.9Å
675	E	77.9	Confident	88.9	Confident	203 Å²	203	91.8 Å²	91.8	95%	0.949	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	100.9	-179.8	-70.9	-176.6	-174.3	0	0	112
676	G	70.1	Confident	88.8	Confident	80 Å²	80	95.4 Å²	95.4	83%	0.825	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.9	-6.1	170.1	0	0	0	0	0	115.7	Q674	Q674-G676 PolarHBondContact O-N 2.88Å
677	E	75.9	Confident	88.9	Confident	134 Å²	134	93 Å²	93	63%	0.626	47%	0.468	S	S	*	.			trans	-116.2	127.3	172.4	-74.2	162.4	142.9	0	0	108.2	Q674 P679	Q674-E677 PolarHBondContact NE2-OE2 2.9Å; E677-P679 WeakPolarHBondContact O-CD 3.45Å
678	E	79.5	Confident	89	Confident	195 Å²	195	86.7 Å²	86.7	91%	0.911	45%	0.446	S	S	*	.			trans	-84.9	116.1	176.7	-70.1	175	177.7	0	0	107.9
679	P	86.6	Confident	89.2	Confident	60 Å²	60	85.1 Å²	85.1	39%	0.39	44%	0.438	S	S	.	.			trans	-71.5	143.8	-178.5	29.6	-34.8	0	0	0	111	F672 E677 D683	F672-P679 HydrophobicContact CD2-CB 3.43Å; F672-P679 VanDerWaalsContact CD2-CB 3.43Å; F672-P679 HydrophobicContact CD2-CG 3.85Å; F672-P679 HydrophobicContact CE2-CB 3.54Å; F672-P679 HydrophobicContact CE2-CG 3.67Å; F672-P679 HydrophobicContact CG-CB 4.33Å; F672-P679 HydrophobicContact CG-CG 4.48Å; F672-P679 HydrophobicContact CZ-CG 4.17Å; E677-P679 WeakPolarHBondContact O-CD 3.45Å; P679-D683 HydrophobicContact CB-CB 4.17Å
680	D	88.8	Confident	89.4	Confident	91 Å²	91	84.9 Å²	84.9	49%	0.487	44%	0.437	S	S	.	.			trans	-93.4	-176.9	-178.8	76.5	20.5	0	0	0	113.7	D682 D683 A684	D680-D682 VanDerWaalsContact C-N 3.31Å; D680-D682 PolarHBondContact O-N 2.7Å; D680-D682 WeakPolarHBondContact OD1-CA 3.48Å; D680-D682 WeakPolarHBondContact OD1-CB 3.24Å; D680-D682 PolarHBondContact OD1-N 2.74Å; D680-D683 PolarHBondContact O-N 3.23Å; D680-D683 PolarHBondContact OD1-N 3.4Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 3.07Å
681	E	90.8	Very high	89.8	Confident	177 Å²	177	78.4 Å²	78.4	83%	0.827	41%	0.407	S	S	*	.	H	α-helix	trans	-67	-29	-179.8	-66.2	-172.8	168.1	0	0	113	Y685	E681-Y685 VanDerWaalsContact O-CB 3.28Å; E681-Y685 WeakPolarHBondContact O-CB 3.39Å; E681-Y685 PolarHBondContact O-N 2.95Å
682	D	91.9	Very high	90.1	Very high	121 Å²	121	74.5 Å²	74.5	65%	0.647	38%	0.384	S	S	*	.	H	α-helix	trans	-74.8	-41.2	177	-87	-23	0	0	0	110.4	D680 Y685 Q686	D680-D682 VanDerWaalsContact C-N 3.31Å; D680-D682 PolarHBondContact O-N 2.7Å; D680-D682 WeakPolarHBondContact OD1-CA 3.48Å; D680-D682 WeakPolarHBondContact OD1-CB 3.24Å; D680-D682 PolarHBondContact OD1-N 2.74Å; D682-Y685 PolarHBondContact O-N 3.12Å; D682-Q686 WeakPolarHBondContact O-CG 3.38Å; D682-Q686 PolarHBondContact O-N 3.43Å
683	D	93.2	Very high	90.4	Very high	76 Å²	76	74.1 Å²	74.1	41%	0.406	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-48.1	172.6	-74.2	-33.6	0	0	0	111.4	F672 P679 D680 Y685 Q686 V687	F672-D683 HydrophobicContact CD2-CB 4.22Å; P679-D683 HydrophobicContact CB-CB 4.17Å; D680-D683 PolarHBondContact O-N 3.23Å; D680-D683 PolarHBondContact OD1-N 3.4Å; D683-Y685 VanDerWaalsContact C-N 3.26Å; D683-Y685 PolarHBondContact O-N 2.85Å; D683-Q686 PolarHBondContact O-N 3.3Å; D683-Q686 VanDerWaalsContact O-N 3.1Å; D683-V687 PolarHBondContact O-N 2.96Å
684	A	94	Very high	90.8	Very high	13 Å²	13	72 Å²	72	11%	0.107	37%	0.371	C	S	.	.	H	α-helix	trans	-57.4	-40	174	0	0	0	0	0	111.6	F672 D680 V687 L688 P726 I729	F672-A684 HydrophobicContact CE2-CB 3.96Å; F672-A684 HydrophobicContact CZ-CB 4.37Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 3.07Å; A684-V687 PolarHBondContact O-N 2.93Å; A684-L688 VanDerWaalsContact O-CB 3.28Å; A684-L688 WeakPolarHBondContact O-CB 3.47Å; A684-L688 PolarHBondContact O-N 2.87Å; A684-P726 HydrophobicContact CB-CG 4.34Å; A684-I729 HydrophobicContact CB-CD1 4.15Å
685	Y	94.5	Very high	91.3	Very high	108 Å²	108	67.4 Å²	67.4	42%	0.424	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-37.5	174.9	-175	-101.7	0	0	0	112.7	T624 E681 D682 D683 S689	T624-Y685 PolarHBondContact OG1-OH 3.12Å; E681-Y685 VanDerWaalsContact O-CB 3.28Å; E681-Y685 WeakPolarHBondContact O-CB 3.39Å; E681-Y685 PolarHBondContact O-N 2.95Å; D682-Y685 PolarHBondContact O-N 3.12Å; D683-Y685 VanDerWaalsContact C-N 3.26Å; D683-Y685 PolarHBondContact O-N 2.85Å; Y685-S689 VanDerWaalsContact CE1-OG 3.31Å; Y685-S689 WeakPolarHBondContact CE1-OG 3.47Å; Y685-S689 WeakPolarHBondContact O-CB 3.48Å; Y685-S689 PolarHBondContact O-N 3.02Å; Y685-S689 PolarHBondContact O-OG 3.07Å
686	Q	95.7	Very high	92.2	Very high	75 Å²	75	58.7 Å²	58.7	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.8	-70.3	-55.1	-42.7	0	0	112.5	L668 D682 D683 T690	L668-Q686 HydrophobicContact CD1-CB 4.11Å; L668-Q686 WeakPolarHBondContact CD1-O 3.39Å; L668-Q686 HydrophobicContact CD2-CB 3.95Å; D682-Q686 WeakPolarHBondContact O-CG 3.38Å; D682-Q686 PolarHBondContact O-N 3.43Å; D683-Q686 PolarHBondContact O-N 3.3Å; D683-Q686 VanDerWaalsContact O-N 3.1Å; Q686-T690 PolarHBondContact O-N 2.85Å; Q686-T690 VanDerWaalsContact O-N 3.16Å; Q686-T690 PolarHBondContact O-OG1 3.11Å
687	V	96.4	Very high	93.6	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-53.9	174.4	173.2	0	0	0	0	109.9	F665 L668 F672 D683 A684 S689 T690 L691 L715 I729	F665-V687 HydrophobicContact CE2-CG1 4.3Å; L668-V687 HydrophobicContact CB-CG2 4.14Å; F672-V687 HydrophobicContact CB-CG2 3.84Å; F672-V687 HydrophobicContact CD1-CG2 4.18Å; F672-V687 HydrophobicContact CD2-CG2 3.83Å; F672-V687 HydrophobicContact CE2-CG2 4.43Å; F672-V687 HydrophobicContact CG-CG2 3.7Å; D683-V687 PolarHBondContact O-N 2.96Å; A684-V687 PolarHBondContact O-N 2.93Å; V687-S689 PolarHBondContact O-N 3.08Å; V687-T690 PolarHBondContact O-N 3.37Å; V687-T690 VanDerWaalsContact O-N 3.16Å; V687-L691 VanDerWaalsContact O-CB 3.29Å; V687-L691 WeakPolarHBondContact O-CB 3.33Å; V687-L691 PolarHBondContact O-N 2.86Å; V687-L715 HydrophobicContact CG1-CD1 4.18Å; V687-I729 HydrophobicContact CG1-CD1 4.49Å; V687-I729 HydrophobicContact CG1-CG2 4.19Å
688	L	97.1	Very high	94.6	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-55.7	-48.4	178.4	179.8	56.7	0	0	0	112.1	A684 T690 L691 K692 Q728 I729	A684-L688 VanDerWaalsContact O-CB 3.28Å; A684-L688 WeakPolarHBondContact O-CB 3.47Å; A684-L688 PolarHBondContact O-N 2.87Å; L688-T690 PolarHBondContact O-N 2.9Å; L688-L691 PolarHBondContact O-N 3.23Å; L688-K692 HydrophobicContact CD1-CD 4.5Å; L688-K692 HydrophobicContact CD1-CG 4.06Å; L688-K692 HydrophobicContact CG-CG 4.49Å; L688-K692 WeakPolarHBondContact O-CB 3.23Å; L688-K692 PolarHBondContact O-N 3.38Å; L688-Q728 HydrophobicContact CD1-CB 3.74Å; L688-Q728 HydrophobicContact CD2-CB 3.63Å; L688-Q728 HydrophobicContact CD2-CG 4.38Å; L688-Q728 HydrophobicContact CG-CB 4.36Å; L688-I729 HydrophobicContact CB-CD1 4.44Å; L688-I729 HydrophobicContact CB-CG1 3.94Å; L688-I729 HydrophobicContact CD1-CG1 4.12Å; L688-I729 HydrophobicContact CG-CG1 4.47Å
689	S	97.3	Very high	95.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-31.9	-179	-66	0	0	0	0	112.8	T624 Y685 V687 R693	T624-S689 VanDerWaalsContact CG2-OG 3.3Å; T624-S689 WeakPolarHBondContact CG2-OG 3.21Å; Y685-S689 VanDerWaalsContact CE1-OG 3.31Å; Y685-S689 WeakPolarHBondContact CE1-OG 3.47Å; Y685-S689 WeakPolarHBondContact O-CB 3.48Å; Y685-S689 PolarHBondContact O-N 3.02Å; Y685-S689 PolarHBondContact O-OG 3.07Å; V687-S689 PolarHBondContact O-N 3.08Å; S689-R693 VanDerWaalsContact O-CD 3.23Å; S689-R693 WeakPolarHBondContact O-CD 3.35Å; S689-R693 VanDerWaalsContact O-CG 3.32Å; S689-R693 WeakPolarHBondContact O-CG 3.48Å; S689-R693 PolarHBondContact O-NE 2.7Å; S689-R693 PolarHBondContact O-NH1 3.36Å
690	T	97.9	Very high	95.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-86.1	-38.6	179	-47.8	0	0	0	0	110.7	L661 K664 F665 L668 Q686 V687 L688 R693 I694	L661-T690 HydrophobicContact CD2-CG2 4.42Å; K664-T690 HydrophobicContact CB-CG2 4.21Å; K664-T690 HydrophobicContact CD-CG2 4.11Å; K664-T690 WeakPolarHBondContact CE-OG1 3.27Å; K664-T690 HydrophobicContact CG-CG2 4.05Å; F665-T690 HydrophobicContact CB-CG2 3.9Å; L668-T690 WeakPolarHBondContact CD1-OG1 3.25Å; Q686-T690 PolarHBondContact O-N 2.85Å; Q686-T690 VanDerWaalsContact O-N 3.16Å; Q686-T690 PolarHBondContact O-OG1 3.11Å; V687-T690 PolarHBondContact O-N 3.37Å; V687-T690 VanDerWaalsContact O-N 3.16Å; L688-T690 PolarHBondContact O-N 2.9Å; T690-R693 PolarHBondContact O-N 3.35Å; T690-I694 HydrophobicContact CG2-CD1 4.44Å; T690-I694 WeakPolarHBondContact O-CG1 3.21Å; T690-I694 PolarHBondContact O-N 2.96Å; T690-I694 VanDerWaalsContact O-N 3.13Å
691	L	98.1	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-44.3	174.6	178	58.6	0	0	0	112.3	F665 V687 L688 R693 I694 T695 N712 L715 I729 H732 A733 C736	F665-L691 HydrophobicContact CE2-CB 3.97Å; F665-L691 HydrophobicContact CE2-CD1 4.23Å; F665-L691 HydrophobicContact CZ-CD1 3.91Å; V687-L691 VanDerWaalsContact O-CB 3.29Å; V687-L691 WeakPolarHBondContact O-CB 3.33Å; V687-L691 PolarHBondContact O-N 2.86Å; L688-L691 PolarHBondContact O-N 3.23Å; L691-R693 PolarHBondContact O-N 3.12Å; L691-I694 PolarHBondContact O-N 3.23Å; L691-T695 VanDerWaalsContact O-CB 3.3Å; L691-T695 WeakPolarHBondContact O-CB 3.47Å; L691-T695 PolarHBondContact O-N 3.44Å; L691-T695 PolarHBondContact O-OG1 3.23Å; L691-N712 WeakPolarHBondContact CD1-OD1 3.37Å; L691-L715 HydrophobicContact CD2-CD1 4.36Å; L691-I729 HydrophobicContact CD2-CG2 3.68Å; L691-I729 WeakPolarHBondContact CD2-O 3.33Å; L691-H732 HydrophobicContact CD2-CB 3.98Å; L691-H732 HydrophobicContact CG-CB 3.86Å; L691-A733 HydrophobicContact CD2-CB 4.07Å; L691-C736 HydrophobicContact CD1-CB 4.28Å
692	K	97.9	Very high	96.2	Very high	33 Å²	33	27.5 Å²	27.5	14%	0.143	14%	0.14	C	C	.	.	H	α-helix	trans	-54.1	-48.8	175.1	-84.6	-167.1	164	-167.3	0	112.2	T624 L629 L688 I694 T695 A696 H732	T624-K692 WeakPolarHBondContact O-CD 3.41Å; T624-K692 PolarHBondContact O-NZ 3.21Å; T624-K692 VanDerWaalsContact O-NZ 3.12Å; L629-K692 HydrophobicContact CD1-CB 3.96Å; L688-K692 HydrophobicContact CD1-CD 4.5Å; L688-K692 HydrophobicContact CD1-CG 4.06Å; L688-K692 HydrophobicContact CG-CG 4.49Å; L688-K692 WeakPolarHBondContact O-CB 3.23Å; L688-K692 PolarHBondContact O-N 3.38Å; K692-I694 PolarHBondContact O-N 3.49Å; K692-T695 PolarHBondContact O-N 3.32Å; K692-A696 PolarHBondContact O-N 3.48Å; K692-H732 VanDerWaalsContact CE-CE1 3.43Å; K692-H732 WeakPolarHBondContact CE-CE1 3.21Å
693	R	98.3	Very high	96.4	Very high	15 Å²	15	22 Å²	22	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-48.3	178.4	-66	166.1	-179.6	127.8	-2	111.6	V620 E621 H623 L629 L661 S689 T690 L691 T695 F697	V620-R693 HydrophobicContact CG1-CB 4.33Å; V620-R693 HydrophobicContact CG1-CG 4.13Å; V620-R693 WeakPolarHBondContact O-CD 3.25Å; V620-R693 PolarHBondContact O-NE 3.18Å; E621-R693 PolarHBondContact O-NH2 3.01Å; H623-R693 VanDerWaalsContact O-CZ 3.31Å; H623-R693 PolarHBondContact O-NE 3.06Å; H623-R693 PolarHBondContact O-NH2 2.97Å; L629-R693 HydrophobicContact CD1-CG 3.84Å; L629-R693 HydrophobicContact CD2-CG 3.8Å; L661-R693 HydrophobicContact CD1-CB 4.11Å; L661-R693 HydrophobicContact CD2-CB 4Å; S689-R693 VanDerWaalsContact O-CD 3.23Å; S689-R693 WeakPolarHBondContact O-CD 3.35Å; S689-R693 VanDerWaalsContact O-CG 3.32Å; S689-R693 WeakPolarHBondContact O-CG 3.48Å; S689-R693 PolarHBondContact O-NE 2.7Å; S689-R693 PolarHBondContact O-NH1 3.36Å; T690-R693 PolarHBondContact O-N 3.35Å; L691-R693 PolarHBondContact O-N 3.12Å; R693-T695 VanDerWaalsContact C-N 3.34Å; R693-F697 WeakPolarHBondContact O-CD2 3.24Å; R693-F697 PolarHBondContact O-N 2.92Å; R693-F697 VanDerWaalsContact O-N 3.16Å
694	I	98.2	Very high	96.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-42.5	176.6	-70.5	173.8	0	0	0	111	L661 F665 T690 L691 K692 F697 H698 L708	L661-I694 HydrophobicContact CB-CD1 4.39Å; L661-I694 HydrophobicContact CB-CG1 3.99Å; F665-I694 HydrophobicContact CB-CD1 3.45Å; F665-I694 VanDerWaalsContact CB-CD1 3.45Å; F665-I694 HydrophobicContact CD1-CD1 3.86Å; F665-I694 HydrophobicContact CD2-CD1 4.49Å; F665-I694 HydrophobicContact CG-CD1 3.7Å; T690-I694 HydrophobicContact CG2-CD1 4.44Å; T690-I694 WeakPolarHBondContact O-CG1 3.21Å; T690-I694 PolarHBondContact O-N 2.96Å; T690-I694 VanDerWaalsContact O-N 3.13Å; L691-I694 PolarHBondContact O-N 3.23Å; K692-I694 PolarHBondContact O-N 3.49Å; I694-F697 PolarHBondContact O-N 3.09Å; I694-H698 VanDerWaalsContact O-CB 3.29Å; I694-H698 WeakPolarHBondContact O-CB 3.5Å; I694-H698 PolarHBondContact O-N 3.19Å; I694-L708 HydrophobicContact CG2-CD1 3.72Å
695	T	97.8	Very high	96.3	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-47.1	-176.9	-56.2	0	0	0	0	111.4	L691 K692 R693 H698 N699 H732 Q735 C736 Y739	L691-T695 VanDerWaalsContact O-CB 3.3Å; L691-T695 WeakPolarHBondContact O-CB 3.47Å; L691-T695 PolarHBondContact O-N 3.44Å; L691-T695 PolarHBondContact O-OG1 3.23Å; K692-T695 PolarHBondContact O-N 3.32Å; R693-T695 VanDerWaalsContact C-N 3.34Å; T695-H698 PolarHBondContact O-N 3.3Å; T695-N699 PolarHBondContact O-N 3.16Å; T695-H732 HydrophobicContact CG2-CB 4.36Å; T695-H732 PolarHBondContact OG1-O 3.37Å; T695-Q735 HydrophobicContact CG2-CB 3.57Å; T695-Q735 VanDerWaalsContact CG2-OE1 3.27Å; T695-C736 HydrophobicContact CG2-CB 4.23Å; T695-Y739 HydrophobicContact CG2-CD2 4.38Å; T695-Y739 HydrophobicContact CG2-CE2 3.81Å; T695-Y739 WeakPolarHBondContact O-CE2 3.41Å
696	A	97.1	Very high	96.4	Very high	20 Å²	20	22.7 Å²	22.7	17%	0.165	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-45.7	175.5	0	0	0	0	0	111.7	L629 S633 K692 N699	L629-A696 HydrophobicContact CB-CB 3.79Å; S633-A696 WeakPolarHBondContact CB-O 3.35Å; S633-A696 PolarHBondContact OG-O 3.29Å; K692-A696 PolarHBondContact O-N 3.48Å; A696-N699 WeakPolarHBondContact O-CB 3.31Å; A696-N699 PolarHBondContact O-N 3.38Å
697	F	97.8	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.8	-32.4	178.3	-86.4	-102.5	0	0	0	113.8	V620 C632 Y636 L657 I658 R693 I694 N699 H701 L703	V620-F697 HydrophobicContact CG1-CE2 4.07Å; V620-F697 HydrophobicContact CG2-CE2 3.65Å; V620-F697 HydrophobicContact CG2-CZ 3.81Å; C632-F697 HydrophobicContact CB-CE2 4.08Å; C632-F697 HydrophobicContact CB-CZ 4.12Å; Y636-F697 AromaticContact CD2-CE1 3.66Å; Y636-F697 HydrophobicContact CD2-CE1 3.66Å; Y636-F697 AromaticContact CD2-CZ 3.78Å; Y636-F697 HydrophobicContact CD2-CZ 3.78Å; Y636-F697 HydrophobicContact CE2-CE1 4.3Å; Y636-F697 HydrophobicContact CE2-CZ 4.32Å; Y636-F697 AromaticContact CG-CE1 3.98Å; Y636-F697 HydrophobicContact CG-CE1 3.98Å; L657-F697 HydrophobicContact CD2-CE1 3.79Å; L657-F697 HydrophobicContact CD2-CE2 4.43Å; L657-F697 HydrophobicContact CD2-CZ 3.73Å; I658-F697 HydrophobicContact CD1-CB 3.73Å; I658-F697 HydrophobicContact CD1-CD1 3.84Å; I658-F697 HydrophobicContact CD1-CG 3.97Å; R693-F697 WeakPolarHBondContact O-CD2 3.24Å; R693-F697 PolarHBondContact O-N 2.92Å; R693-F697 VanDerWaalsContact O-N 3.16Å; I694-F697 PolarHBondContact O-N 3.09Å; F697-N699 PolarHBondContact O-N 3.44Å; F697-H701 AromaticContact CD1-CD2 3.58Å; F697-H701 WeakPolarHBondContact O-CB 3.42Å; F697-H701 PolarHBondContact O-CD2 2.9Å; F697-H701 PolarHBondContact O-N 3.48Å; F697-L703 HydrophobicContact CB-CD1 4.44Å
698	H	97.7	Very high	96.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-73.2	-18.1	177.9	-154.6	-19.2	0	0	0	112.6	I694 T695 H701 L703 Y739 V740 W743	I694-H698 VanDerWaalsContact O-CB 3.29Å; I694-H698 WeakPolarHBondContact O-CB 3.5Å; I694-H698 PolarHBondContact O-N 3.19Å; T695-H698 PolarHBondContact O-N 3.3Å; H698-H701 PolarHBondContact ND1-O 3.42Å; H698-L703 HydrophobicContact CB-CD1 3.73Å; H698-L703 HydrophobicContact CB-CG 4.11Å; H698-Y739 HydrophobicContact CB-CD2 4.33Å; H698-V740 WeakPolarHBondContact NE2-CG2 3.24Å; H698-W743 AromaticContact CE1-CD1 3.54Å; H698-W743 AromaticContact ND1-CD1 3.38Å; H698-W743 AromaticContact ND1-NE1 3.93Å; H698-W743 VanDerWaalsContact O-CD1 3.3Å; H698-W743 PolarHBondContact O-NE1 3.3Å
699	N	95.7	Very high	96	Very high	23 Å²	23	22.5 Å²	22.5	12%	0.123	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-65.3	170.9	-169.8	-14.6	0	0	0	110.7	T695 A696 F697 H701 Y739 W743 G1264 V1265	T695-N699 PolarHBondContact O-N 3.16Å; A696-N699 WeakPolarHBondContact O-CB 3.31Å; A696-N699 PolarHBondContact O-N 3.38Å; F697-N699 PolarHBondContact O-N 3.44Å; N699-H701 PolarHBondContact O-N 3.13Å; N699-Y739 HydrophobicContact CB-CD2 4.1Å; N699-Y739 HydrophobicContact CB-CE1 4.39Å; N699-Y739 HydrophobicContact CB-CE2 3.78Å; N699-W743 WeakPolarHBondContact O-CZ2 3.43Å; N699-W743 PolarHBondContact O-NE1 3.21Å; N699-W743 VanDerWaalsContact O-NE1 3.12Å; N699-G1264 PolarHBondContact ND2-O 3.1Å; N699-G1264 PolarHBondContact OD1-O 3.49Å; N699-V1265 WeakPolarHBondContact OD1-CA 3.41Å
700	A	94.3	Very high	95.9	Very high	6 Å²	6	24.8 Å²	24.8	5%	0.05	13%	0.132	C	C	.	.	S	Bend	trans	-88.9	10.5	-173.4	0	0	0	0	0	115.4	H637	H637-A700 HydrophobicContact CB-CB 3.97Å
701	H	95.2	Very high	95.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	14%	0.137	C	C	.	.	S	Bend	trans	-145	140.1	-179.2	-53.1	-49.7	0	0	0	114.1	S633 Y636 H637 R654 F697 H698 N699 L703 W743	S633-H701 PolarHBondContact O-NE2 3.25Å; Y636-H701 PolarHBondContact O-NE2 2.88Å; Y636-H701 VanDerWaalsContact O-NE2 3.15Å; H637-H701 WeakPolarHBondContact CA-NE2 3.47Å; H637-H701 WeakPolarHBondContact CB-NE2 3.3Å; H637-H701 AromaticContact CD2-CE1 3.71Å; H637-H701 PolarHBondContact N-NE2 2.92Å; R654-H701 PolarHBondContact NH1-CE1 3.5Å; R654-H701 VanDerWaalsContact NH1-CE1 3.28Å; R654-H701 PolarHBondContact NH1-ND1 2.89Å; F697-H701 AromaticContact CD1-CD2 3.58Å; F697-H701 WeakPolarHBondContact O-CB 3.42Å; F697-H701 PolarHBondContact O-CD2 2.9Å; F697-H701 PolarHBondContact O-N 3.48Å; H698-H701 PolarHBondContact ND1-O 3.42Å; N699-H701 PolarHBondContact O-N 3.13Å; H701-L703 HydrophobicContact CB-CD2 3.79Å; H701-L703 HydrophobicContact CB-CG 4.49Å; H701-L703 PolarHBondContact O-N 3.18Å; H701-W743 VanDerWaalsContact C-CE2 3.46Å; H701-W743 PolarHBondContact O-NE1 2.95Å
702	D	94.8	Very high	95.6	Very high	49 Å²	49	25.6 Å²	25.6	26%	0.262	14%	0.137	S	C	.	.			trans	-66.3	97.4	168	179.9	26.4	0	0	0	111.6	S704 W743	D702-S704 WeakPolarHBondContact OD1-CA 3.5Å; D702-S704 WeakPolarHBondContact OD1-CB 3.47Å; D702-S704 PolarHBondContact OD1-N 2.64Å; D702-S704 PolarHBondContact OD1-OG 2.66Å; D702-W743 HydrophobicContact CB-CD2 4.01Å; D702-W743 HydrophobicContact CB-CE3 3.63Å; D702-W743 HydrophobicContact CB-CG 4.48Å; D702-W743 HydrophobicContact CB-CZ3 4.1Å
703	L	96.4	Very high	95.5	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.145	C	C	.	.			trans	-94.9	16.7	171.5	-46.3	-169.4	0	0	0	113.1	I658 F697 H698 H701 K705 W706 L708	I658-L703 HydrophobicContact CD1-CD1 3.99Å; I658-L703 HydrophobicContact CD1-CD2 4.19Å; I658-L703 HydrophobicContact CG1-CD1 4.4Å; I658-L703 HydrophobicContact CG1-CD2 3.87Å; I658-L703 HydrophobicContact CG2-CD1 3.96Å; I658-L703 HydrophobicContact CG2-CD2 4.07Å; I658-L703 HydrophobicContact CG2-CG 4.46Å; F697-L703 HydrophobicContact CB-CD1 4.44Å; H698-L703 HydrophobicContact CB-CD1 3.73Å; H698-L703 HydrophobicContact CB-CG 4.11Å; H701-L703 HydrophobicContact CB-CD2 3.79Å; H701-L703 HydrophobicContact CB-CG 4.49Å; H701-L703 PolarHBondContact O-N 3.18Å; L703-K705 PolarHBondContact O-N 3.33Å; L703-W706 HydrophobicContact CB-CE3 3.89Å; L703-W706 HydrophobicContact CB-CZ3 4.31Å; L703-W706 HydrophobicContact CD2-CE3 4.28Å; L703-W706 HydrophobicContact CD2-CZ3 3.9Å; L703-W706 PolarHBondContact O-N 3.4Å; L703-L708 HydrophobicContact CB-CD1 4.33Å; L703-L708 HydrophobicContact CD1-CD1 4.43Å
704	S	92.1	Very high	95.3	Very high	29 Å²	29	32.1 Å²	32.1	20%	0.203	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.7	178.4	-54	0	0	0	0	114.3	D702 W706	D702-S704 WeakPolarHBondContact OD1-CA 3.5Å; D702-S704 WeakPolarHBondContact OD1-CB 3.47Å; D702-S704 PolarHBondContact OD1-N 2.64Å; D702-S704 PolarHBondContact OD1-OG 2.66Å; S704-W706 VanDerWaalsContact C-N 3.27Å
705	K	92.5	Very high	95.2	Very high	133 Å²	133	32 Å²	32	58%	0.578	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-24	172	-56.7	173.2	-172.4	166.5	0	112.6	L703	L703-K705 PolarHBondContact O-N 3.33Å
706	W	95.3	Very high	95.2	Very high	51 Å²	51	31.9 Å²	31.9	19%	0.193	16%	0.163	C	C	.	.	S	Bend	trans	-105.5	4.3	-172.2	-64.7	-89.1	0	0	0	114.6	I658 D659 A662 L703 S704 L708	I658-W706 HydrophobicContact CB-CH2 4.01Å; I658-W706 HydrophobicContact CB-CZ2 3.96Å; I658-W706 HydrophobicContact CB-CZ3 4.31Å; I658-W706 HydrophobicContact CG2-CD2 3.6Å; I658-W706 HydrophobicContact CG2-CE3 3.63Å; I658-W706 HydrophobicContact CG2-CG 4.23Å; I658-W706 HydrophobicContact CG2-CH2 3.96Å; I658-W706 HydrophobicContact CG2-CZ2 3.91Å; I658-W706 HydrophobicContact CG2-CZ3 3.83Å; D659-W706 WeakPolarHBondContact OD1-CZ2 3.35Å; D659-W706 PolarHBondContact OD1-NE1 2.99Å; A662-W706 HydrophobicContact CB-CB 4.41Å; A662-W706 HydrophobicContact CB-CG 4.29Å; L703-W706 HydrophobicContact CB-CE3 3.89Å; L703-W706 HydrophobicContact CB-CZ3 4.31Å; L703-W706 HydrophobicContact CD2-CE3 4.28Å; L703-W706 HydrophobicContact CD2-CZ3 3.9Å; L703-W706 PolarHBondContact O-N 3.4Å; S704-W706 VanDerWaalsContact C-N 3.27Å; W706-L708 VanDerWaalsContact C-N 3.29Å; W706-L708 HydrophobicContact CB-CD1 4.49Å; W706-L708 HydrophobicContact CB-CD2 4.23Å; W706-L708 HydrophobicContact CB-CG 4.07Å; W706-L708 PolarHBondContact O-N 3.42Å; W706-L708 VanDerWaalsContact O-N 3.13Å
707	D	91	Very high	95.1	Very high	76 Å²	76	34.6 Å²	34.6	41%	0.406	17%	0.171	S	C	.	.			trans	40.9	45.8	177.5	-156	5.3	0	0	0	115.9	F709 R760	D707-F709 PolarHBondContact O-N 2.84Å; D707-R760 IonicContact OD2-NH1 2.71Å
708	L	95.4	Very high	94.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-2.7	-173.8	-60.5	171.5	0	0	0	114.4	A662 I694 L703 W706 A710 N712 V740	A662-L708 HydrophobicContact CB-CD2 4.28Å; I694-L708 HydrophobicContact CG2-CD1 3.72Å; L703-L708 HydrophobicContact CB-CD1 4.33Å; L703-L708 HydrophobicContact CD1-CD1 4.43Å; W706-L708 VanDerWaalsContact C-N 3.29Å; W706-L708 HydrophobicContact CB-CD1 4.49Å; W706-L708 HydrophobicContact CB-CD2 4.23Å; W706-L708 HydrophobicContact CB-CG 4.07Å; W706-L708 PolarHBondContact O-N 3.42Å; W706-L708 VanDerWaalsContact O-N 3.13Å; L708-A710 VanDerWaalsContact C-N 3.32Å; L708-A710 PolarHBondContact O-N 2.81Å; L708-N712 PolarHBondContact O-N 2.85Å; L708-N712 PolarHBondContact O-ND2 3.19Å; L708-V740 HydrophobicContact CB-CG2 4.23Å
709	F	96.1	Very high	94.7	Very high	19 Å²	19	36.5 Å²	36.5	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-45.3	175	-173.5	-90.4	0	0	0	111.4	D707 C711 N712 Y713 T737 V740 I741 Q764	D707-F709 PolarHBondContact O-N 2.84Å; F709-C711 VanDerWaalsContact C-N 3.26Å; F709-C711 PolarHBondContact O-N 3.38Å; F709-N712 PolarHBondContact O-N 3.14Å; F709-Y713 HydrophobicContact CE1-CD2 4.2Å; F709-Y713 AromaticContact CE1-CG 3.84Å; F709-Y713 HydrophobicContact CE1-CG 3.84Å; F709-Y713 HydrophobicContact CZ-CD2 4.32Å; F709-Y713 HydrophobicContact CZ-CG 4.36Å; F709-Y713 WeakPolarHBondContact O-CB 3.47Å; F709-Y713 PolarHBondContact O-N 3.18Å; F709-T737 HydrophobicContact CD2-CG2 3.88Å; F709-T737 HydrophobicContact CE2-CG2 3.6Å; F709-V740 HydrophobicContact CB-CG1 3.84Å; F709-V740 HydrophobicContact CD2-CG1 4.22Å; F709-I741 HydrophobicContact CE2-CD1 4.43Å; F709-Q764 HydrophobicContact CD1-CG 3.82Å; F709-Q764 HydrophobicContact CD2-CB 3.95Å; F709-Q764 HydrophobicContact CD2-CG 3.85Å; F709-Q764 HydrophobicContact CE1-CB 4.3Å; F709-Q764 HydrophobicContact CE1-CG 3.72Å; F709-Q764 HydrophobicContact CE2-CB 3.53Å; F709-Q764 HydrophobicContact CE2-CG 3.75Å; F709-Q764 VanDerWaalsContact CG-CD 3.41Å; F709-Q764 HydrophobicContact CG-CG 3.9Å; F709-Q764 VanDerWaalsContact CG-NE2 3.33Å; F709-Q764 HydrophobicContact CZ-CB 3.73Å; F709-Q764 HydrophobicContact CZ-CG 3.69Å
710	A	93.6	Very high	94.6	Very high	51 Å²	51	38.4 Å²	38.4	42%	0.421	19%	0.193	S	C	.	.	H	α-helix	trans	-61.7	-36.4	-171.7	0	0	0	0	0	112.4	L708 K714	L708-A710 VanDerWaalsContact C-N 3.32Å; L708-A710 PolarHBondContact O-N 2.81Å; A710-K714 WeakPolarHBondContact O-CG 3.46Å; A710-K714 PolarHBondContact O-N 3.34Å
711	C	94.5	Very high	94.5	Very high	17 Å²	17	44 Å²	44	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-75.1	-51.8	-178.3	-61.5	0	0	0	0	111.2	F665 N666 L669 F709 Y713 K714 L715	F665-C711 HydrophobicContact CD1-CB 4.25Å; F665-C711 HydrophobicContact CE1-CB 3.71Å; N666-C711 PolarHBondContact OD1-SG 3.22Å; L669-C711 HydrophobicContact CD2-CB 3.54Å; L669-C711 WeakPolarHBondContact CD2-O 3.49Å; F709-C711 VanDerWaalsContact C-N 3.26Å; F709-C711 PolarHBondContact O-N 3.38Å; C711-Y713 VanDerWaalsContact C-N 3.31Å; C711-Y713 PolarHBondContact O-N 3.17Å; C711-K714 PolarHBondContact O-N 2.95Å; C711-L715 PolarHBondContact O-N 3.17Å; C711-L715 VanDerWaalsContact O-N 3.16Å
712	N	96.8	Very high	94.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-37.7	176.6	-65.5	-79.1	0	0	0	112.4	L691 L708 F709 L715 L716 C736 T737	L691-N712 WeakPolarHBondContact CD1-OD1 3.37Å; L708-N712 PolarHBondContact O-N 2.85Å; L708-N712 PolarHBondContact O-ND2 3.19Å; F709-N712 PolarHBondContact O-N 3.14Å; N712-L715 PolarHBondContact O-N 2.95Å; N712-L716 WeakPolarHBondContact O-CB 3.48Å; N712-L716 WeakPolarHBondContact O-CG 3.28Å; N712-L716 PolarHBondContact O-N 3.38Å; N712-C736 PolarHBondContact ND2-SG 3.27Å; N712-C736 VanDerWaalsContact ND2-SG 3.4Å; N712-T737 WeakPolarHBondContact CB-OG1 3.37Å
713	Y	96.1	Very high	93.9	Very high	80 Å²	80	49.4 Å²	49.4	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-42.3	176	170.7	-105.6	0	0	0	113.1	F709 C711 K717 V767 I771	F709-Y713 HydrophobicContact CE1-CD2 4.2Å; F709-Y713 AromaticContact CE1-CG 3.84Å; F709-Y713 HydrophobicContact CE1-CG 3.84Å; F709-Y713 HydrophobicContact CZ-CD2 4.32Å; F709-Y713 HydrophobicContact CZ-CG 4.36Å; F709-Y713 WeakPolarHBondContact O-CB 3.47Å; F709-Y713 PolarHBondContact O-N 3.18Å; C711-Y713 VanDerWaalsContact C-N 3.31Å; C711-Y713 PolarHBondContact O-N 3.17Å; Y713-K717 HydrophobicContact CE1-CD 4.41Å; Y713-K717 VanDerWaalsContact O-CB 3.22Å; Y713-K717 WeakPolarHBondContact O-CB 3.15Å; Y713-K717 PolarHBondContact O-N 3.45Å; Y713-V767 HydrophobicContact CD2-CG1 3.96Å; Y713-V767 HydrophobicContact CE2-CG1 3.37Å; Y713-I771 HydrophobicContact CD2-CD1 3.72Å; Y713-I771 HydrophobicContact CE2-CD1 3.89Å
714	K	94.1	Very high	93.4	Very high	105 Å²	105	54.6 Å²	54.6	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-53	173	-78.9	174	177	-175.2	0	110.3	L673 A710 C711 K717 T718	L673-K714 HydrophobicContact CD1-CB 3.84Å; L673-K714 HydrophobicContact CD1-CD 4.3Å; A710-K714 WeakPolarHBondContact O-CG 3.46Å; A710-K714 PolarHBondContact O-N 3.34Å; C711-K714 PolarHBondContact O-N 2.95Å; K714-K717 PolarHBondContact O-N 2.85Å; K714-T718 PolarHBondContact O-N 3.14Å; K714-T718 PolarHBondContact O-OG1 3.41Å
715	L	95.1	Very high	93.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-53.4	-176.5	-162.3	166.7	0	0	0	111.4	L669 V687 L691 C711 N712 K717 T718 G719 M725 I729 A733	L669-L715 HydrophobicContact CD1-CB 4.3Å; L669-L715 HydrophobicContact CD1-CD1 3.89Å; L669-L715 HydrophobicContact CD1-CG 4.22Å; V687-L715 HydrophobicContact CG1-CD1 4.18Å; L691-L715 HydrophobicContact CD2-CD1 4.36Å; C711-L715 PolarHBondContact O-N 3.17Å; C711-L715 VanDerWaalsContact O-N 3.16Å; N712-L715 PolarHBondContact O-N 2.95Å; L715-K717 VanDerWaalsContact C-N 3.27Å; L715-K717 PolarHBondContact O-N 3.47Å; L715-T718 PolarHBondContact O-N 3.32Å; L715-G719 PolarHBondContact O-N 2.64Å; L715-M725 HydrophobicContact CD2-CE 3.91Å; L715-M725 HydrophobicContact CD2-CG 4.06Å; L715-M725 HydrophobicContact CD2-SD 3.66Å; L715-M725 HydrophobicContact CG-CE 4.33Å; L715-M725 HydrophobicContact CG-SD 4.41Å; L715-I729 HydrophobicContact CD1-CG2 3.55Å; L715-I729 HydrophobicContact CD2-CG2 3.61Å; L715-I729 HydrophobicContact CG-CG2 4.15Å; L715-A733 HydrophobicContact CD2-CB 4.29Å
716	L	97.1	Very high	93.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-33.3	178.6	-70.9	169	0	0	0	112.8	N712 I720 V730 A733 L734 F768 I771 Y775	N712-L716 WeakPolarHBondContact O-CB 3.48Å; N712-L716 WeakPolarHBondContact O-CG 3.28Å; N712-L716 PolarHBondContact O-N 3.38Å; L716-I720 WeakPolarHBondContact O-CG1 3.09Å; L716-I720 PolarHBondContact O-N 2.84Å; L716-V730 HydrophobicContact CD2-CG1 4.2Å; L716-A733 HydrophobicContact CD1-CB 4.23Å; L716-A733 HydrophobicContact CD2-CB 3.79Å; L716-A733 HydrophobicContact CG-CB 3.8Å; L716-L734 HydrophobicContact CD1-CD2 4.24Å; L716-L734 HydrophobicContact CD2-CD2 3.94Å; L716-L734 HydrophobicContact CD2-CG 3.88Å; L716-F768 HydrophobicContact CD1-CD2 4.44Å; L716-F768 HydrophobicContact CD1-CE2 3.98Å; L716-I771 HydrophobicContact CB-CD1 4.42Å; L716-I771 HydrophobicContact CB-CG2 3.97Å; L716-I771 HydrophobicContact CD1-CG2 4.15Å; L716-I771 HydrophobicContact CG-CG2 4.45Å; L716-Y775 HydrophobicContact CB-CE2 4.37Å; L716-Y775 HydrophobicContact CD2-CD2 4.49Å; L716-Y775 HydrophobicContact CD2-CE2 3.8Å; L716-Y775 PolarHBondContact O-OH 2.91Å; L716-Y775 VanDerWaalsContact O-OH 3.13Å
717	K	95.7	Very high	93.5	Very high	77 Å²	77	51.5 Å²	51.5	34%	0.335	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-49.3	176.1	179.3	176.5	175.3	-71.5	0	111.5	Y713 K714 L715 G719 I720 E721	Y713-K717 HydrophobicContact CE1-CD 4.41Å; Y713-K717 VanDerWaalsContact O-CB 3.22Å; Y713-K717 WeakPolarHBondContact O-CB 3.15Å; Y713-K717 PolarHBondContact O-N 3.45Å; K714-K717 PolarHBondContact O-N 2.85Å; L715-K717 VanDerWaalsContact C-N 3.27Å; L715-K717 PolarHBondContact O-N 3.47Å; K717-G719 VanDerWaalsContact C-N 3.26Å; K717-G719 PolarHBondContact O-N 3.03Å; K717-I720 PolarHBondContact O-N 3.24Å; K717-E721 VanDerWaalsContact CE-OE1 3.3Å; K717-E721 WeakPolarHBondContact CE-OE1 3.36Å; K717-E721 IonicContact NZ-OE1 2.61Å; K717-E721 PolarHBondContact NZ-OE1 2.92Å; K717-E721 IonicContact NZ-OE2 2.95Å; K717-E721 PolarHBondContact NZ-OE2 3.2Å; K717-E721 PolarHBondContact O-N 3.48Å
718	T	93.6	Very high	93.8	Very high	36 Å²	36	51 Å²	51	22%	0.221	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-39.4	177.1	-58.7	0	0	0	0	111	L673 K714 L715 I720 E721 N722	L673-T718 HydrophobicContact CD2-CG2 4.14Å; K714-T718 PolarHBondContact O-N 3.14Å; K714-T718 PolarHBondContact O-OG1 3.41Å; L715-T718 PolarHBondContact O-N 3.32Å; T718-I720 VanDerWaalsContact C-N 3.27Å; T718-I720 PolarHBondContact O-N 2.91Å; T718-E721 PolarHBondContact O-N 3.04Å; T718-E721 VanDerWaalsContact O-N 3.11Å; T718-N722 PolarHBondContact O-N 2.88Å
719	G	93.2	Very high	93.9	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-23.7	175.9	0	0	0	0	0	115.2	L715 K717 G723	L715-G719 PolarHBondContact O-N 2.64Å; K717-G719 VanDerWaalsContact C-N 3.26Å; K717-G719 PolarHBondContact O-N 3.03Å; G719-G723 WeakPolarHBondContact O-CA 3.39Å; G719-G723 PolarHBondContact O-N 2.95Å
720	I	94.2	Very high	93.9	Very high	63 Å²	63	50.1 Å²	50.1	32%	0.323	27%	0.274	S	S	.	.	H	α-helix	trans	-81.5	-36	170.3	-68	168	0	0	0	111.1	L716 K717 T718 I771 H774 Y775	L716-I720 WeakPolarHBondContact O-CG1 3.09Å; L716-I720 PolarHBondContact O-N 2.84Å; K717-I720 PolarHBondContact O-N 3.24Å; T718-I720 VanDerWaalsContact C-N 3.27Å; T718-I720 PolarHBondContact O-N 2.91Å; I720-I771 HydrophobicContact CD1-CB 4.45Å; I720-I771 HydrophobicContact CD1-CG1 4.26Å; I720-I771 HydrophobicContact CD1-CG2 4.17Å; I720-H774 HydrophobicContact CD1-CB 3.98Å; I720-Y775 HydrophobicContact CD1-CD2 4.14Å; I720-Y775 HydrophobicContact CD1-CE2 3.72Å; I720-Y775 HydrophobicContact CG1-CD2 4.29Å; I720-Y775 HydrophobicContact CG1-CE1 4.35Å; I720-Y775 HydrophobicContact CG1-CE2 3.63Å
721	E	92.8	Very high	94.1	Very high	122 Å²	122	48.3 Å²	48.3	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-77.3	-34.1	-176.4	-72.7	175.3	145.2	0	0	113.4	K717 T718	K717-E721 VanDerWaalsContact CE-OE1 3.3Å; K717-E721 WeakPolarHBondContact CE-OE1 3.36Å; K717-E721 IonicContact NZ-OE1 2.61Å; K717-E721 PolarHBondContact NZ-OE1 2.92Å; K717-E721 IonicContact NZ-OE2 2.95Å; K717-E721 PolarHBondContact NZ-OE2 3.2Å; K717-E721 PolarHBondContact O-N 3.48Å; T718-E721 PolarHBondContact O-N 3.04Å; T718-E721 VanDerWaalsContact O-N 3.11Å
722	N	89.3	Confident	94.3	Very high	102 Å²	102	48.1 Å²	48.1	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-93.4	-39.1	177.2	-64.9	9.6	0	0	0	112.8	T718 D724	T718-N722 PolarHBondContact O-N 2.88Å; N722-D724 WeakPolarHBondContact CB-OD1 3.43Å
723	G	87.6	Confident	94.3	Very high	65 Å²	65	48.1 Å²	48.1	67%	0.67	25%	0.254	S	S	*	.	S	Bend	trans	81.3	5.8	-179.7	0	0	0	0	0	116.2	G719	G719-G723 WeakPolarHBondContact O-CA 3.39Å; G719-G723 PolarHBondContact O-N 2.95Å
724	D	86.3	Confident	94.4	Very high	114 Å²	114	44.3 Å²	44.3	61%	0.61	24%	0.239	S	C	*	.			trans	-107.9	-7.7	-173.3	54.7	5.5	0	0	0	114.7	N722	N722-D724 WeakPolarHBondContact CB-OD1 3.43Å
725	M	92.8	Very high	94.6	Very high	23 Å²	23	41 Å²	41	11%	0.113	23%	0.226	C	C	.	.			trans	-57.4	126.6	-175.5	-173	66.5	59.9	0	0	112.9	F672 L715 E727 I729 V730	F672-M725 HydrophobicContact CE1-CE 4.03Å; F672-M725 HydrophobicContact CE1-SD 3.94Å; F672-M725 HydrophobicContact CZ-SD 4.26Å; L715-M725 HydrophobicContact CD2-CE 3.91Å; L715-M725 HydrophobicContact CD2-CG 4.06Å; L715-M725 HydrophobicContact CD2-SD 3.66Å; L715-M725 HydrophobicContact CG-CE 4.33Å; L715-M725 HydrophobicContact CG-SD 4.41Å; M725-E727 PolarHBondContact O-N 2.81Å; M725-I729 HydrophobicContact SD-CB 4.37Å; M725-I729 HydrophobicContact SD-CD1 4.43Å; M725-I729 HydrophobicContact SD-CG2 4.31Å; M725-V730 HydrophobicContact CB-CG2 4.02Å; M725-V730 HydrophobicContact CG-CG2 3.6Å
726	P	94.6	Very high	94.7	Very high	57 Å²	57	41 Å²	41	37%	0.37	23%	0.226	S	C	.	.			trans	-56	133	179.3	-28.3	35.1	0	0	0	113.9	A684 Q728 I729 V730	A684-P726 HydrophobicContact CB-CG 4.34Å; P726-Q728 VanDerWaalsContact C-N 3.31Å; P726-Q728 PolarHBondContact O-N 3.35Å; P726-I729 HydrophobicContact CB-CD1 4.13Å; P726-I729 HydrophobicContact CB-CG1 4.17Å; P726-I729 HydrophobicContact CG-CD1 4.09Å; P726-I729 PolarHBondContact O-N 2.86Å; P726-V730 PolarHBondContact O-N 2.68Å
727	E	94.4	Very high	94.8	Very high	67 Å²	67	41 Å²	41	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-51	-44	-173.9	48.8	136	-103.4	0	0	114	M725 I729 V730 I731 N780 T782 V783	M725-E727 PolarHBondContact O-N 2.81Å; E727-I729 VanDerWaalsContact C-N 3.29Å; E727-I729 PolarHBondContact O-N 3.39Å; E727-V730 WeakPolarHBondContact O-CB 3.36Å; E727-V730 PolarHBondContact O-N 3.25Å; E727-I731 WeakPolarHBondContact O-CG1 3.41Å; E727-I731 PolarHBondContact O-N 3.39Å; E727-N780 PolarHBondContact OE2-ND2 2.77Å; E727-T782 PolarHBondContact OE2-OG1 3.05Å; E727-V783 HydrophobicContact CB-CG2 3.73Å
728	Q	96	Very high	94.9	Very high	65 Å²	65	37.8 Å²	37.8	30%	0.304	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-34.7	178.7	-70	-64.2	-52.3	0	0	112.7	L688 P726 H732	L688-Q728 HydrophobicContact CD1-CB 3.74Å; L688-Q728 HydrophobicContact CD2-CB 3.63Å; L688-Q728 HydrophobicContact CD2-CG 4.38Å; L688-Q728 HydrophobicContact CG-CB 4.36Å; P726-Q728 VanDerWaalsContact C-N 3.31Å; P726-Q728 PolarHBondContact O-N 3.35Å; Q728-H732 PolarHBondContact O-N 3.33Å; Q728-H732 PolarHBondContact O-ND1 3.44Å; Q728-H732 PolarHBondContact OE1-CE1 2.94Å
729	I	97.3	Very high	95	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-72.8	-40.9	178.1	-50.5	-179.9	0	0	0	109.5	F672 A684 V687 L688 L691 L715 M725 P726 E727 A733	F672-I729 HydrophobicContact CZ-CD1 4.25Å; A684-I729 HydrophobicContact CB-CD1 4.15Å; V687-I729 HydrophobicContact CG1-CD1 4.49Å; V687-I729 HydrophobicContact CG1-CG2 4.19Å; L688-I729 HydrophobicContact CB-CD1 4.44Å; L688-I729 HydrophobicContact CB-CG1 3.94Å; L688-I729 HydrophobicContact CD1-CG1 4.12Å; L688-I729 HydrophobicContact CG-CG1 4.47Å; L691-I729 HydrophobicContact CD2-CG2 3.68Å; L691-I729 WeakPolarHBondContact CD2-O 3.33Å; L715-I729 HydrophobicContact CD1-CG2 3.55Å; L715-I729 HydrophobicContact CD2-CG2 3.61Å; L715-I729 HydrophobicContact CG-CG2 4.15Å; M725-I729 HydrophobicContact SD-CB 4.37Å; M725-I729 HydrophobicContact SD-CD1 4.43Å; M725-I729 HydrophobicContact SD-CG2 4.31Å; P726-I729 HydrophobicContact CB-CD1 4.13Å; P726-I729 HydrophobicContact CB-CG1 4.17Å; P726-I729 HydrophobicContact CG-CD1 4.09Å; P726-I729 PolarHBondContact O-N 2.86Å; E727-I729 VanDerWaalsContact C-N 3.29Å; E727-I729 PolarHBondContact O-N 3.39Å; I729-A733 WeakPolarHBondContact O-CB 3.43Å; I729-A733 PolarHBondContact O-N 3.49Å
730	V	97.8	Very high	95.2	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-49.7	173.7	178.5	0	0	0	0	111.1	L716 M725 P726 E727 H732 A733 L734 Y775 V783	L716-V730 HydrophobicContact CD2-CG1 4.2Å; M725-V730 HydrophobicContact CB-CG2 4.02Å; M725-V730 HydrophobicContact CG-CG2 3.6Å; P726-V730 PolarHBondContact O-N 2.68Å; E727-V730 WeakPolarHBondContact O-CB 3.36Å; E727-V730 PolarHBondContact O-N 3.25Å; V730-H732 PolarHBondContact O-N 3.22Å; V730-A733 PolarHBondContact O-N 3.05Å; V730-L734 HydrophobicContact CG1-CD1 3.94Å; V730-L734 HydrophobicContact CG1-CG 4.29Å; V730-L734 WeakPolarHBondContact O-CB 3.29Å; V730-L734 VanDerWaalsContact O-CG 3.27Å; V730-L734 WeakPolarHBondContact O-CG 3.23Å; V730-L734 PolarHBondContact O-N 3.4Å; V730-Y775 HydrophobicContact CB-CE1 4.4Å; V730-Y775 HydrophobicContact CG1-CD1 3.68Å; V730-Y775 HydrophobicContact CG1-CD2 4.23Å; V730-Y775 HydrophobicContact CG1-CE1 3.45Å; V730-Y775 VanDerWaalsContact CG1-CE1 3.45Å; V730-Y775 HydrophobicContact CG1-CE2 4.01Å; V730-Y775 HydrophobicContact CG1-CG 4.06Å; V730-Y775 HydrophobicContact CG2-CE1 4.01Å; V730-V783 HydrophobicContact CG1-CG1 3.8Å
731	I	97.4	Very high	95.3	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-55	-52.9	-179.8	-74.8	164.4	0	0	0	111.3	E727 L734 Q735 V783 Q786	E727-I731 WeakPolarHBondContact O-CG1 3.41Å; E727-I731 PolarHBondContact O-N 3.39Å; I731-L734 PolarHBondContact O-N 3.12Å; I731-Q735 WeakPolarHBondContact O-CG 3.47Å; I731-Q735 PolarHBondContact O-N 3.49Å; I731-V783 HydrophobicContact CD1-CG2 4.45Å; I731-V783 HydrophobicContact CG1-CG2 4.3Å; I731-Q786 HydrophobicContact CB-CG 4.45Å; I731-Q786 HydrophobicContact CG1-CB 4.24Å; I731-Q786 HydrophobicContact CG1-CG 4.39Å; I731-Q786 HydrophobicContact CG2-CG 4.12Å
732	H	97.6	Very high	95.5	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-73.7	-30	-177	-64.7	85.6	0	0	0	112.2	L691 K692 T695 Q728 V730 Q735 C736	L691-H732 HydrophobicContact CD2-CB 3.98Å; L691-H732 HydrophobicContact CG-CB 3.86Å; K692-H732 VanDerWaalsContact CE-CE1 3.43Å; K692-H732 WeakPolarHBondContact CE-CE1 3.21Å; T695-H732 HydrophobicContact CG2-CB 4.36Å; T695-H732 PolarHBondContact OG1-O 3.37Å; Q728-H732 PolarHBondContact O-N 3.33Å; Q728-H732 PolarHBondContact O-ND1 3.44Å; Q728-H732 PolarHBondContact OE1-CE1 2.94Å; V730-H732 PolarHBondContact O-N 3.22Å; H732-Q735 PolarHBondContact CD2-OE1 3Å; H732-Q735 PolarHBondContact O-N 3.42Å; H732-C736 WeakPolarHBondContact O-CB 3.42Å; H732-C736 PolarHBondContact O-N 3.28Å
733	A	98.1	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.9	-35.4	173.5	0	0	0	0	0	112.2	L691 L715 L716 I729 V730 T737	L691-A733 HydrophobicContact CD2-CB 4.07Å; L715-A733 HydrophobicContact CD2-CB 4.29Å; L716-A733 HydrophobicContact CD1-CB 4.23Å; L716-A733 HydrophobicContact CD2-CB 3.79Å; L716-A733 HydrophobicContact CG-CB 3.8Å; I729-A733 WeakPolarHBondContact O-CB 3.43Å; I729-A733 PolarHBondContact O-N 3.49Å; V730-A733 PolarHBondContact O-N 3.05Å; A733-T737 WeakPolarHBondContact O-CB 3.34Å; A733-T737 PolarHBondContact O-N 2.92Å; A733-T737 PolarHBondContact O-OG1 3.37Å
734	L	98.2	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-53.6	170.1	-71.2	169.8	0	0	0	110.3	L716 V730 I731 C736 T737 H738 F768 I771 Y775 Q786 A787 I790	L716-L734 HydrophobicContact CD1-CD2 4.24Å; L716-L734 HydrophobicContact CD2-CD2 3.94Å; L716-L734 HydrophobicContact CD2-CG 3.88Å; V730-L734 HydrophobicContact CG1-CD1 3.94Å; V730-L734 HydrophobicContact CG1-CG 4.29Å; V730-L734 WeakPolarHBondContact O-CB 3.29Å; V730-L734 VanDerWaalsContact O-CG 3.27Å; V730-L734 WeakPolarHBondContact O-CG 3.23Å; V730-L734 PolarHBondContact O-N 3.4Å; I731-L734 PolarHBondContact O-N 3.12Å; L734-C736 PolarHBondContact O-N 3.17Å; L734-T737 PolarHBondContact O-N 3.37Å; L734-H738 WeakPolarHBondContact O-CB 3.5Å; L734-H738 PolarHBondContact O-N 3.16Å; L734-F768 HydrophobicContact CB-CZ 4.46Å; L734-F768 HydrophobicContact CD2-CE2 3.81Å; L734-F768 HydrophobicContact CD2-CZ 4.09Å; L734-F768 VanDerWaalsContact O-CZ 3.23Å; L734-F768 WeakPolarHBondContact O-CZ 3.47Å; L734-I771 HydrophobicContact CD2-CG2 4.17Å; L734-Y775 HydrophobicContact CD2-CD2 4.19Å; L734-Q786 HydrophobicContact CB-CG 4.45Å; L734-Q786 HydrophobicContact CD1-CG 4.28Å; L734-A787 HydrophobicContact CD1-CB 4.17Å; L734-I790 HydrophobicContact CB-CD1 3.89Å
735	Q	97.4	Very high	96.3	Very high	36 Å²	36	20.1 Å²	20.1	17%	0.168	10%	0.098	C	C	.	.	H	α-helix	trans	-55.4	-50.5	177.1	-70.6	172.7	-2.5	0	0	112	T695 I731 H732 T737 H738 Y739 Q786 I790	T695-Q735 HydrophobicContact CG2-CB 3.57Å; T695-Q735 VanDerWaalsContact CG2-OE1 3.27Å; I731-Q735 WeakPolarHBondContact O-CG 3.47Å; I731-Q735 PolarHBondContact O-N 3.49Å; H732-Q735 PolarHBondContact CD2-OE1 3Å; H732-Q735 PolarHBondContact O-N 3.42Å; Q735-T737 PolarHBondContact O-N 2.99Å; Q735-H738 WeakPolarHBondContact O-CB 3.49Å; Q735-H738 PolarHBondContact O-N 3.27Å; Q735-H738 VanDerWaalsContact O-N 3.16Å; Q735-Y739 HydrophobicContact CB-CE2 4.02Å; Q735-Y739 VanDerWaalsContact O-CD2 3.27Å; Q735-Y739 WeakPolarHBondContact O-CD2 3.41Å; Q735-Y739 VanDerWaalsContact O-CG 3.28Å; Q735-Y739 PolarHBondContact O-N 3.4Å; Q735-Q786 HydrophobicContact CG-CG 4.48Å; Q735-I790 HydrophobicContact CG-CD1 4.33Å
736	C	97.8	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-42.7	-179.5	-168.4	0	0	0	0	111.9	L691 T695 N712 H732 L734 H738 Y739 V740	L691-C736 HydrophobicContact CD1-CB 4.28Å; T695-C736 HydrophobicContact CG2-CB 4.23Å; N712-C736 PolarHBondContact ND2-SG 3.27Å; N712-C736 VanDerWaalsContact ND2-SG 3.4Å; H732-C736 WeakPolarHBondContact O-CB 3.42Å; H732-C736 PolarHBondContact O-N 3.28Å; L734-C736 PolarHBondContact O-N 3.17Å; C736-H738 VanDerWaalsContact C-N 3.33Å; C736-H738 PolarHBondContact O-N 2.99Å; C736-Y739 PolarHBondContact O-N 2.93Å; C736-V740 VanDerWaalsContact O-CG2 3.23Å; C736-V740 WeakPolarHBondContact O-CG2 3.32Å; C736-V740 PolarHBondContact O-N 3.35Å
737	T	98.3	Very high	95.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-35.9	176.1	-51.8	0	0	0	0	112.3	F709 N712 A733 L734 Q735 V740 I741 F768	F709-T737 HydrophobicContact CD2-CG2 3.88Å; F709-T737 HydrophobicContact CE2-CG2 3.6Å; N712-T737 WeakPolarHBondContact CB-OG1 3.37Å; A733-T737 WeakPolarHBondContact O-CB 3.34Å; A733-T737 PolarHBondContact O-N 2.92Å; A733-T737 PolarHBondContact O-OG1 3.37Å; L734-T737 PolarHBondContact O-N 3.37Å; Q735-T737 PolarHBondContact O-N 2.99Å; T737-V740 PolarHBondContact O-N 2.96Å; T737-I741 HydrophobicContact CG2-CD1 4.16Å; T737-I741 WeakPolarHBondContact O-CD1 3.44Å; T737-I741 WeakPolarHBondContact O-CG1 3.38Å; T737-I741 PolarHBondContact O-N 3.47Å; T737-I741 VanDerWaalsContact O-N 3.15Å; T737-F768 VanDerWaalsContact CB-CE2 3.47Å; T737-F768 HydrophobicContact CG2-CB 4.39Å; T737-F768 HydrophobicContact CG2-CD1 4.32Å; T737-F768 HydrophobicContact CG2-CD2 3.36Å; T737-F768 HydrophobicContact CG2-CE1 4.49Å; T737-F768 HydrophobicContact CG2-CE2 3.59Å; T737-F768 HydrophobicContact CG2-CG 3.77Å; T737-F768 HydrophobicContact CG2-CZ 4.17Å
738	H	97.8	Very high	95.4	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-49.7	173	174.7	72.4	0	0	0	111.1	L734 Q735 C736 V740 I741 L742 F768 I790 I794	L734-H738 WeakPolarHBondContact O-CB 3.5Å; L734-H738 PolarHBondContact O-N 3.16Å; Q735-H738 WeakPolarHBondContact O-CB 3.49Å; Q735-H738 PolarHBondContact O-N 3.27Å; Q735-H738 VanDerWaalsContact O-N 3.16Å; C736-H738 VanDerWaalsContact C-N 3.33Å; C736-H738 PolarHBondContact O-N 2.99Å; H738-V740 PolarHBondContact O-N 3.44Å; H738-I741 WeakPolarHBondContact O-CB 3.41Å; H738-I741 PolarHBondContact O-N 2.9Å; H738-I741 VanDerWaalsContact O-N 3.09Å; H738-L742 WeakPolarHBondContact NE2-CD1 3.32Å; H738-L742 PolarHBondContact O-N 3.41Å; H738-F768 HydrophobicContact CB-CE1 4.01Å; H738-F768 HydrophobicContact CB-CZ 4.33Å; H738-I790 HydrophobicContact CB-CD1 4.2Å; H738-I790 HydrophobicContact CB-CG1 4.28Å; H738-I790 HydrophobicContact CB-CG2 3.97Å; H738-I794 WeakPolarHBondContact ND1-CG1 3.38Å
739	Y	97.2	Very high	94.7	Very high	25 Å²	25	19 Å²	19	10%	0.098	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-40.9	177	-52	-35.8	0	0	0	112.5	T695 H698 N699 Q735 C736 I741 L742 W743 V1265	T695-Y739 HydrophobicContact CG2-CD2 4.38Å; T695-Y739 HydrophobicContact CG2-CE2 3.81Å; T695-Y739 WeakPolarHBondContact O-CE2 3.41Å; H698-Y739 HydrophobicContact CB-CD2 4.33Å; N699-Y739 HydrophobicContact CB-CD2 4.1Å; N699-Y739 HydrophobicContact CB-CE1 4.39Å; N699-Y739 HydrophobicContact CB-CE2 3.78Å; Q735-Y739 HydrophobicContact CB-CE2 4.02Å; Q735-Y739 VanDerWaalsContact O-CD2 3.27Å; Q735-Y739 WeakPolarHBondContact O-CD2 3.41Å; Q735-Y739 VanDerWaalsContact O-CG 3.28Å; Q735-Y739 PolarHBondContact O-N 3.4Å; C736-Y739 PolarHBondContact O-N 2.93Å; Y739-I741 PolarHBondContact O-N 2.8Å; Y739-L742 PolarHBondContact O-N 3.26Å; Y739-W743 VanDerWaalsContact O-CD1 3.27Å; Y739-W743 PolarHBondContact O-N 3.05Å; Y739-V1265 HydrophobicContact CD1-CG2 3.9Å; Y739-V1265 HydrophobicContact CE1-CG2 3.66Å
740	V	97.2	Very high	93.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-56.5	-37.4	173.8	171.6	0	0	0	0	112.2	H698 L708 F709 C736 T737 H738 Q744	H698-V740 WeakPolarHBondContact NE2-CG2 3.24Å; L708-V740 HydrophobicContact CB-CG2 4.23Å; F709-V740 HydrophobicContact CB-CG1 3.84Å; F709-V740 HydrophobicContact CD2-CG1 4.22Å; C736-V740 VanDerWaalsContact O-CG2 3.23Å; C736-V740 WeakPolarHBondContact O-CG2 3.32Å; C736-V740 PolarHBondContact O-N 3.35Å; T737-V740 PolarHBondContact O-N 2.96Å; H738-V740 PolarHBondContact O-N 3.44Å; V740-Q744 WeakPolarHBondContact O-CG 3.35Å; V740-Q744 PolarHBondContact O-N 3.47Å; V740-Q744 PolarHBondContact O-NE2 3.06Å; V740-Q744 VanDerWaalsContact O-NE2 3.12Å
741	I	96.5	Very high	92	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-74.3	-40.1	178.5	-73.1	163.4	0	0	0	111.1	F709 T737 H738 Y739 L745 L761 M765 F768 F798	F709-I741 HydrophobicContact CE2-CD1 4.43Å; T737-I741 HydrophobicContact CG2-CD1 4.16Å; T737-I741 WeakPolarHBondContact O-CD1 3.44Å; T737-I741 WeakPolarHBondContact O-CG1 3.38Å; T737-I741 PolarHBondContact O-N 3.47Å; T737-I741 VanDerWaalsContact O-N 3.15Å; H738-I741 WeakPolarHBondContact O-CB 3.41Å; H738-I741 PolarHBondContact O-N 2.9Å; H738-I741 VanDerWaalsContact O-N 3.09Å; Y739-I741 PolarHBondContact O-N 2.8Å; I741-L745 PolarHBondContact O-N 3.44Å; I741-L745 VanDerWaalsContact O-N 3.17Å; I741-L761 HydrophobicContact CB-CD1 4.44Å; I741-L761 HydrophobicContact CG2-CD1 3.97Å; I741-M765 HydrophobicContact CG2-CB 4.24Å; I741-F768 HydrophobicContact CD1-CB 3.65Å; I741-F768 HydrophobicContact CD1-CD1 3.46Å; I741-F768 VanDerWaalsContact CD1-CD1 3.46Å; I741-F768 HydrophobicContact CD1-CE1 4.32Å; I741-F768 HydrophobicContact CD1-CG 3.73Å; I741-F798 HydrophobicContact CG2-CE2 3.72Å; I741-F798 HydrophobicContact CG2-CZ 3.65Å
742	L	95.6	Very high	90.5	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-70.1	-44.6	179.7	-64.2	-167.6	0	0	0	112.8	H738 Y739 Q744 L745 A746 I797 F798 V1265	H738-L742 WeakPolarHBondContact NE2-CD1 3.32Å; H738-L742 PolarHBondContact O-N 3.41Å; Y739-L742 PolarHBondContact O-N 3.26Å; L742-Q744 VanDerWaalsContact C-N 3.31Å; L742-Q744 PolarHBondContact O-N 3.29Å; L742-L745 WeakPolarHBondContact O-CA 3.45Å; L742-L745 WeakPolarHBondContact O-CB 3.46Å; L742-L745 PolarHBondContact O-N 3.27Å; L742-A746 PolarHBondContact O-N 2.74Å; L742-I797 HydrophobicContact CD1-CD1 4.21Å; L742-I797 HydrophobicContact CD2-CD1 3.71Å; L742-I797 HydrophobicContact CD2-CG2 4.13Å; L742-F798 HydrophobicContact CD2-CE2 4.46Å; L742-V1265 HydrophobicContact CD1-CG1 4.28Å; L742-V1265 HydrophobicContact CD1-CG2 4.06Å
743	W	94.4	Very high	89.2	Confident	58 Å²	58	35.6 Å²	35.6	22%	0.22	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-34.7	178.2	-77.6	108.3	0	0	0	112.8	H698 N699 H701 D702 Y739 L745 K747	H698-W743 AromaticContact CE1-CD1 3.54Å; H698-W743 AromaticContact ND1-CD1 3.38Å; H698-W743 AromaticContact ND1-NE1 3.93Å; H698-W743 VanDerWaalsContact O-CD1 3.3Å; H698-W743 PolarHBondContact O-NE1 3.3Å; N699-W743 WeakPolarHBondContact O-CZ2 3.43Å; N699-W743 PolarHBondContact O-NE1 3.21Å; N699-W743 VanDerWaalsContact O-NE1 3.12Å; H701-W743 VanDerWaalsContact C-CE2 3.46Å; H701-W743 PolarHBondContact O-NE1 2.95Å; D702-W743 HydrophobicContact CB-CD2 4.01Å; D702-W743 HydrophobicContact CB-CE3 3.63Å; D702-W743 HydrophobicContact CB-CG 4.48Å; D702-W743 HydrophobicContact CB-CZ3 4.1Å; Y739-W743 VanDerWaalsContact O-CD1 3.27Å; Y739-W743 PolarHBondContact O-N 3.05Å; W743-L745 VanDerWaalsContact C-N 3.34Å; W743-K747 WeakPolarHBondContact O-CB 3.47Å; W743-K747 PolarHBondContact O-N 3.09Å; W743-K747 VanDerWaalsContact O-N 3.11Å
744	Q	92.3	Very high	88.1	Confident	18 Å²	18	38.9 Å²	38.9	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-38.2	169	-79.3	180	68.4	0	0	112.8	V740 L742 I748 L761	V740-Q744 WeakPolarHBondContact O-CG 3.35Å; V740-Q744 PolarHBondContact O-N 3.47Å; V740-Q744 PolarHBondContact O-NE2 3.06Å; V740-Q744 VanDerWaalsContact O-NE2 3.12Å; L742-Q744 VanDerWaalsContact C-N 3.31Å; L742-Q744 PolarHBondContact O-N 3.29Å; Q744-I748 WeakPolarHBondContact O-CB 3.2Å; Q744-I748 WeakPolarHBondContact O-CG1 3.34Å; Q744-I748 PolarHBondContact O-N 3.22Å; Q744-L761 HydrophobicContact CB-CD1 3.93Å; Q744-L761 HydrophobicContact CB-CD2 4.43Å
745	L	93.1	Very high	87.3	Confident	16 Å²	16	47.6 Å²	47.6	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-68.4	-43.2	177.3	177.2	61	0	0	0	112.3	I741 L742 W743 I748 T749 L761 I797 F798 I802 L813	I741-L745 PolarHBondContact O-N 3.44Å; I741-L745 VanDerWaalsContact O-N 3.17Å; L742-L745 WeakPolarHBondContact O-CA 3.45Å; L742-L745 WeakPolarHBondContact O-CB 3.46Å; L742-L745 PolarHBondContact O-N 3.27Å; W743-L745 VanDerWaalsContact C-N 3.34Å; L745-I748 PolarHBondContact O-N 2.75Å; L745-T749 WeakPolarHBondContact O-CB 3.26Å; L745-T749 PolarHBondContact O-N 2.87Å; L745-T749 PolarHBondContact O-OG1 3.21Å; L745-L761 HydrophobicContact CB-CD2 4Å; L745-L761 HydrophobicContact CD1-CD2 4.27Å; L745-I797 HydrophobicContact CD2-CG2 3.58Å; L745-F798 HydrophobicContact CB-CZ 4.4Å; L745-F798 HydrophobicContact CD1-CE1 4.49Å; L745-F798 HydrophobicContact CD2-CE1 4.14Å; L745-F798 HydrophobicContact CD2-CE2 4.27Å; L745-F798 HydrophobicContact CD2-CZ 3.84Å; L745-I802 HydrophobicContact CD1-CD1 3.98Å; L745-I802 HydrophobicContact CD2-CD1 4.08Å; L745-L813 HydrophobicContact CD1-CD1 3.75Å
746	A	90.9	Very high	86.8	Confident	30 Å²	30	53.5 Å²	53.5	25%	0.248	28%	0.283	C	S	.	.	H	α-helix	trans	-56.5	-52.8	175.2	0	0	0	0	0	110.5	L742 I748 T749 E750	L742-A746 PolarHBondContact O-N 2.74Å; A746-I748 VanDerWaalsContact C-N 3.31Å; A746-I748 PolarHBondContact O-N 2.75Å; A746-T749 WeakPolarHBondContact O-CA 3.26Å; A746-T749 WeakPolarHBondContact O-CB 3.28Å; A746-T749 PolarHBondContact O-N 3.03Å; A746-E750 WeakPolarHBondContact O-CG 3.42Å; A746-E750 PolarHBondContact O-N 3.32Å
747	K	87.1	Confident	86.3	Confident	96 Å²	96	55.8 Å²	55.8	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-58.8	-36.5	176.9	-173	171.6	-172	162.7	0	114	W743 T749 S751	W743-K747 WeakPolarHBondContact O-CB 3.47Å; W743-K747 PolarHBondContact O-N 3.09Å; W743-K747 VanDerWaalsContact O-N 3.11Å; K747-T749 VanDerWaalsContact C-N 3.3Å; K747-S751 WeakPolarHBondContact O-CB 3.46Å; K747-S751 PolarHBondContact O-N 3.16Å; K747-S751 PolarHBondContact O-OG 3.31Å
748	I	86.3	Confident	85.9	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-29	174.3	-81.3	168.7	0	0	0	112.1	Q744 L745 A746 S753 D757 L758 L761 L810	Q744-I748 WeakPolarHBondContact O-CB 3.2Å; Q744-I748 WeakPolarHBondContact O-CG1 3.34Å; Q744-I748 PolarHBondContact O-N 3.22Å; L745-I748 PolarHBondContact O-N 2.75Å; A746-I748 VanDerWaalsContact C-N 3.31Å; A746-I748 PolarHBondContact O-N 2.75Å; I748-S753 PolarHBondContact O-OG 3.04Å; I748-D757 HydrophobicContact CD1-CB 4.32Å; I748-L758 HydrophobicContact CG2-CD1 4.4Å; I748-L761 HydrophobicContact CD1-CB 4.06Å; I748-L761 HydrophobicContact CD1-CD2 3.69Å; I748-L810 HydrophobicContact CG2-CD2 3.83Å
749	T	81.4	Confident	85.5	Confident	54 Å²	54	61.9 Å²	61.9	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-81.7	-37.2	-179.6	-55.4	0	0	0	0	112.4	L745 A746 K747	L745-T749 WeakPolarHBondContact O-CB 3.26Å; L745-T749 PolarHBondContact O-N 2.87Å; L745-T749 PolarHBondContact O-OG1 3.21Å; A746-T749 WeakPolarHBondContact O-CA 3.26Å; A746-T749 WeakPolarHBondContact O-CB 3.28Å; A746-T749 PolarHBondContact O-N 3.03Å; K747-T749 VanDerWaalsContact C-N 3.3Å
750	E	74.3	Confident	85.3	Confident	147 Å²	147	65.4 Å²	65.4	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-84	-31.4	-177.1	-69	165.9	-170.4	0	0	114.2	A746	A746-E750 WeakPolarHBondContact O-CG 3.42Å; A746-E750 PolarHBondContact O-N 3.32Å
751	S	63.8	Low	85.2	Confident	60 Å²	60	65.2 Å²	65.2	42%	0.42	34%	0.339	S	S	.	.	S	Bend	trans	-115.3	163.8	-168.4	79.1	0	0	0	0	113.7	K747 S753	K747-S751 WeakPolarHBondContact O-CB 3.46Å; K747-S751 PolarHBondContact O-N 3.16Å; K747-S751 PolarHBondContact O-OG 3.31Å; S751-S753 PolarHBondContact O-N 2.96Å
752	S	65.5	Low	85.2	Confident	131 Å²	131	67.9 Å²	67.9	92%	0.916	35%	0.351	S	S	*	.			trans	-71.4	65	170.9	175.2	0	0	0	0	111.1
753	S	69.1	Low	85.2	Confident	40 Å²	40	74.3 Å²	74.3	28%	0.28	38%	0.378	S	S	.	.			trans	-65.1	155.2	-177.5	56.2	0	0	0	0	113.1	I748 S751	I748-S753 PolarHBondContact O-OG 3.04Å; S751-S753 PolarHBondContact O-N 2.96Å
754	T	75.4	Confident	85.3	Confident	70 Å²	70	72.5 Å²	72.5	43%	0.429	37%	0.372	S	S	.	.			trans	-84	155.3	178.9	79.1	0	0	0	0	111.2	E756 D757 L758	T754-E756 PolarHBondContact O-N 3.21Å; T754-E756 PolarHBondContact OG1-N 3.16Å; T754-D757 WeakPolarHBondContact CB-OD2 3.42Å; T754-D757 WeakPolarHBondContact CG2-OD2 3.43Å; T754-D757 PolarHBondContact N-OD2 3.29Å; T754-D757 PolarHBondContact O-N 3.06Å; T754-D757 VanDerWaalsContact OG1-CG 3.31Å; T754-D757 PolarHBondContact OG1-N 2.9Å; T754-D757 PolarHBondContact OG1-OD2 3.2Å; T754-L758 PolarHBondContact O-N 3.22Å
755	K	82.8	Confident	85.5	Confident	182 Å²	182	71.6 Å²	71.6	79%	0.791	37%	0.368	S	S	*	.	H	α-helix	trans	-63.4	-21.1	170.6	-67.8	-171.3	176	-173	0	112.7	L759	K755-L759 VanDerWaalsContact O-CG 3.28Å; K755-L759 WeakPolarHBondContact O-CG 3.29Å; K755-L759 PolarHBondContact O-N 3.48Å
756	E	86.1	Confident	85.7	Confident	161 Å²	161	76.5 Å²	76.5	75%	0.752	39%	0.385	S	S	*	.	H	α-helix	trans	-77.5	-40.2	179.2	-62.4	176.6	-170.4	0	0	110.7	T754 L759 R760	T754-E756 PolarHBondContact O-N 3.21Å; T754-E756 PolarHBondContact OG1-N 3.16Å; E756-L759 PolarHBondContact O-N 3.01Å; E756-R760 PolarHBondContact O-N 3.27Å
757	D	86.9	Confident	86	Confident	48 Å²	48	77.4 Å²	77.4	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-45	171.3	-66.9	-61.6	0	0	0	111.9	I748 T754 L759 R760 L761	I748-D757 HydrophobicContact CD1-CB 4.32Å; T754-D757 WeakPolarHBondContact CB-OD2 3.42Å; T754-D757 WeakPolarHBondContact CG2-OD2 3.43Å; T754-D757 PolarHBondContact N-OD2 3.29Å; T754-D757 PolarHBondContact O-N 3.06Å; T754-D757 VanDerWaalsContact OG1-CG 3.31Å; T754-D757 PolarHBondContact OG1-N 2.9Å; T754-D757 PolarHBondContact OG1-OD2 3.2Å; D757-L759 VanDerWaalsContact C-N 3.33Å; D757-L759 PolarHBondContact O-N 2.98Å; D757-R760 WeakPolarHBondContact O-CB 3.35Å; D757-R760 PolarHBondContact O-N 3.17Å; D757-R760 VanDerWaalsContact O-N 3.14Å; D757-R760 IonicContact OD1-CZ 3.9Å; D757-R760 IonicContact OD1-NE 3.18Å; D757-R760 IonicContact OD1-NH2 2.7Å; D757-R760 PolarHBondContact OD1-NH2 3.19Å; D757-L761 PolarHBondContact O-N 3.37Å
758	L	89.4	Confident	86.5	Confident	24 Å²	24	72.9 Å²	72.9	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-38.3	179.1	-164.4	154.3	0	0	0	111.8	I748 T754 K762 M809 P812 L813	I748-L758 HydrophobicContact CG2-CD1 4.4Å; T754-L758 PolarHBondContact O-N 3.22Å; L758-K762 WeakPolarHBondContact O-CB 3.44Å; L758-K762 PolarHBondContact O-N 3.09Å; L758-M809 WeakPolarHBondContact CD1-O 3.47Å; L758-P812 HydrophobicContact CD2-CB 3.88Å; L758-P812 HydrophobicContact CD2-CG 4.31Å; L758-L813 HydrophobicContact CD2-CD2 3.68Å; L758-L813 HydrophobicContact CD2-CG 3.93Å; L758-L813 HydrophobicContact CG-CD1 4.32Å; L758-L813 HydrophobicContact CG-CD2 3.89Å; L758-L813 HydrophobicContact CG-CG 4.03Å
759	L	91.1	Very high	87	Confident	112 Å²	112	72.6 Å²	72.6	59%	0.586	37%	0.366	S	S	*	.	H	α-helix	trans	-68.3	-35.5	172.9	-72.7	171.4	0	0	0	112.6	K755 E756 D757 K763	K755-L759 VanDerWaalsContact O-CG 3.28Å; K755-L759 WeakPolarHBondContact O-CG 3.29Å; K755-L759 PolarHBondContact O-N 3.48Å; E756-L759 PolarHBondContact O-N 3.01Å; D757-L759 VanDerWaalsContact C-N 3.33Å; D757-L759 PolarHBondContact O-N 2.98Å; L759-K763 PolarHBondContact O-N 3.37Å; L759-K763 VanDerWaalsContact O-N 3.11Å
760	R	93	Very high	87.8	Confident	100 Å²	100	73.8 Å²	73.8	38%	0.377	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-51.2	172.4	172.5	169.7	59.1	153.1	-6.3	111.1	D707 E756 D757 K762 K763 Q764	D707-R760 IonicContact OD2-NH1 2.71Å; E756-R760 PolarHBondContact O-N 3.27Å; D757-R760 WeakPolarHBondContact O-CB 3.35Å; D757-R760 PolarHBondContact O-N 3.17Å; D757-R760 VanDerWaalsContact O-N 3.14Å; D757-R760 IonicContact OD1-CZ 3.9Å; D757-R760 IonicContact OD1-NE 3.18Å; D757-R760 IonicContact OD1-NH2 2.7Å; D757-R760 PolarHBondContact OD1-NH2 3.19Å; R760-K762 VanDerWaalsContact C-N 3.34Å; R760-K762 PolarHBondContact O-N 3.35Å; R760-K763 WeakPolarHBondContact O-CB 3.5Å; R760-K763 PolarHBondContact O-N 3.33Å; R760-K763 VanDerWaalsContact O-N 3.09Å; R760-Q764 HydrophobicContact CG-CG 4.43Å; R760-Q764 WeakPolarHBondContact O-CG 3.35Å; R760-Q764 PolarHBondContact O-N 2.83Å
761	L	94.4	Very high	88.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.7	-46.3	177.5	177.9	59	0	0	0	111.2	I741 Q744 L745 I748 D757 K763 Q764 M765 F798 L813	I741-L761 HydrophobicContact CB-CD1 4.44Å; I741-L761 HydrophobicContact CG2-CD1 3.97Å; Q744-L761 HydrophobicContact CB-CD1 3.93Å; Q744-L761 HydrophobicContact CB-CD2 4.43Å; L745-L761 HydrophobicContact CB-CD2 4Å; L745-L761 HydrophobicContact CD1-CD2 4.27Å; I748-L761 HydrophobicContact CD1-CB 4.06Å; I748-L761 HydrophobicContact CD1-CD2 3.69Å; D757-L761 PolarHBondContact O-N 3.37Å; L761-K763 VanDerWaalsContact C-N 3.27Å; L761-K763 PolarHBondContact O-N 2.73Å; L761-Q764 PolarHBondContact O-N 2.83Å; L761-M765 WeakPolarHBondContact O-CB 3.45Å; L761-M765 PolarHBondContact O-N 3.33Å; L761-F798 HydrophobicContact CD2-CE1 4.44Å; L761-L813 HydrophobicContact CB-CD2 4.46Å; L761-L813 HydrophobicContact CD2-CD1 3.9Å; L761-L813 HydrophobicContact CD2-CD2 4.33Å; L761-L813 HydrophobicContact CG-CD2 4.31Å
762	K	95.5	Very high	90.5	Very high	55 Å²	55	64.5 Å²	64.5	24%	0.239	32%	0.319	C	S	.	.	H	α-helix	trans	-55.8	-41.8	175.7	-170.2	178.7	-171	154.9	0	112.4	L758 R760 R766 P812 L813	L758-K762 WeakPolarHBondContact O-CB 3.44Å; L758-K762 PolarHBondContact O-N 3.09Å; R760-K762 VanDerWaalsContact C-N 3.34Å; R760-K762 PolarHBondContact O-N 3.35Å; K762-R766 WeakPolarHBondContact O-CB 3.35Å; K762-R766 VanDerWaalsContact O-CG 3.27Å; K762-R766 WeakPolarHBondContact O-CG 3.48Å; K762-R766 PolarHBondContact O-N 3.16Å; K762-R766 VanDerWaalsContact O-N 3.15Å; K762-P812 WeakPolarHBondContact CD-O 3.5Å; K762-P812 WeakPolarHBondContact CE-O 3.47Å; K762-P812 PolarHBondContact NZ-O 3.07Å; K762-L813 HydrophobicContact CB-CD2 3.93Å
763	K	96.2	Very high	92	Very high	152 Å²	152	59.2 Å²	59.2	66%	0.661	28%	0.279	S	S	*	.	H	α-helix	trans	-67.5	-47	178	-175.5	-173.2	174.8	-170.5	0	111.1	L759 R760 L761 R766 V767	L759-K763 PolarHBondContact O-N 3.37Å; L759-K763 VanDerWaalsContact O-N 3.11Å; R760-K763 WeakPolarHBondContact O-CB 3.5Å; R760-K763 PolarHBondContact O-N 3.33Å; R760-K763 VanDerWaalsContact O-N 3.09Å; L761-K763 VanDerWaalsContact C-N 3.27Å; L761-K763 PolarHBondContact O-N 2.73Å; K763-R766 PolarHBondContact O-N 3.27Å; K763-V767 WeakPolarHBondContact O-CG2 3.49Å; K763-V767 PolarHBondContact O-N 3.04Å; K763-V767 VanDerWaalsContact O-N 3.09Å
764	Q	96.6	Very high	93.3	Very high	19 Å²	19	62.1 Å²	62.1	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-51.2	-179.7	-73.5	-174.9	-11.7	0	0	111.5	F709 R760 L761 R766 V767 F768	F709-Q764 HydrophobicContact CD1-CG 3.82Å; F709-Q764 HydrophobicContact CD2-CB 3.95Å; F709-Q764 HydrophobicContact CD2-CG 3.85Å; F709-Q764 HydrophobicContact CE1-CB 4.3Å; F709-Q764 HydrophobicContact CE1-CG 3.72Å; F709-Q764 HydrophobicContact CE2-CB 3.53Å; F709-Q764 HydrophobicContact CE2-CG 3.75Å; F709-Q764 VanDerWaalsContact CG-CD 3.41Å; F709-Q764 HydrophobicContact CG-CG 3.9Å; F709-Q764 VanDerWaalsContact CG-NE2 3.33Å; F709-Q764 HydrophobicContact CZ-CB 3.73Å; F709-Q764 HydrophobicContact CZ-CG 3.69Å; R760-Q764 HydrophobicContact CG-CG 4.43Å; R760-Q764 WeakPolarHBondContact O-CG 3.35Å; R760-Q764 PolarHBondContact O-N 2.83Å; L761-Q764 PolarHBondContact O-N 2.83Å; Q764-R766 PolarHBondContact O-N 2.91Å; Q764-V767 PolarHBondContact O-N 2.87Å; Q764-F768 WeakPolarHBondContact O-CB 3.45Å; Q764-F768 PolarHBondContact O-N 3.05Å
765	M	97	Very high	94.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-46.9	176	170	-85.8	-80.1	0	0	112.4	I741 L761 V767 F768 C769 I794 F798 L813 Y815	I741-M765 HydrophobicContact CG2-CB 4.24Å; L761-M765 WeakPolarHBondContact O-CB 3.45Å; L761-M765 PolarHBondContact O-N 3.33Å; M765-V767 PolarHBondContact O-N 3.48Å; M765-F768 PolarHBondContact O-N 3.05Å; M765-C769 PolarHBondContact O-N 3.02Å; M765-C769 PolarHBondContact O-SG 3.13Å; M765-I794 HydrophobicContact CG-CG2 4.28Å; M765-F798 HydrophobicContact CE-CB 4.27Å; M765-F798 HydrophobicContact CE-CD1 3.71Å; M765-F798 HydrophobicContact CE-CE1 4.28Å; M765-F798 HydrophobicContact CE-CG 4.08Å; M765-F798 HydrophobicContact CG-CD1 4.21Å; M765-F798 HydrophobicContact CG-CD2 4.13Å; M765-F798 HydrophobicContact CG-CE1 4.27Å; M765-F798 HydrophobicContact CG-CE2 4.19Å; M765-F798 HydrophobicContact CG-CG 4.13Å; M765-F798 HydrophobicContact CG-CZ 4.26Å; M765-L813 WeakPolarHBondContact CE-O 3.19Å; M765-Y815 HydrophobicContact CE-CD2 4.33Å; M765-Y815 HydrophobicContact SD-CD2 3.76Å; M765-Y815 HydrophobicContact SD-CG 4.08Å
766	R	96.5	Very high	95.1	Very high	119 Å²	119	50.8 Å²	50.8	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-39.7	-178.8	-77.9	-175.5	167.2	-141.1	-8.5	113.3	K762 K763 Q764 Q770 Y815	K762-R766 WeakPolarHBondContact O-CB 3.35Å; K762-R766 VanDerWaalsContact O-CG 3.27Å; K762-R766 WeakPolarHBondContact O-CG 3.48Å; K762-R766 PolarHBondContact O-N 3.16Å; K762-R766 VanDerWaalsContact O-N 3.15Å; K763-R766 PolarHBondContact O-N 3.27Å; Q764-R766 PolarHBondContact O-N 2.91Å; R766-Q770 PolarHBondContact O-N 3.06Å; R766-Y815 HydrophobicContact CG-CD2 3.92Å; R766-Y815 HydrophobicContact CG-CE2 3.95Å
767	V	97.3	Very high	95.5	Very high	49 Å²	49	47.8 Å²	47.8	30%	0.297	23%	0.226	S	C	.	.	H	α-helix	trans	-68.7	-39.1	175.9	171.1	0	0	0	0	110.5	Y713 K763 Q764 M765 Q770 I771	Y713-V767 HydrophobicContact CD2-CG1 3.96Å; Y713-V767 HydrophobicContact CE2-CG1 3.37Å; K763-V767 WeakPolarHBondContact O-CG2 3.49Å; K763-V767 PolarHBondContact O-N 3.04Å; K763-V767 VanDerWaalsContact O-N 3.09Å; Q764-V767 PolarHBondContact O-N 2.87Å; M765-V767 PolarHBondContact O-N 3.48Å; V767-Q770 PolarHBondContact O-N 3.09Å; V767-I771 HydrophobicContact CG1-CD1 4.21Å; V767-I771 PolarHBondContact O-N 3.03Å; V767-I771 VanDerWaalsContact O-N 3.1Å
768	F	98	Very high	95.8	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-39.4	178.2	-173.2	-120.2	0	0	0	113.1	L716 L734 T737 H738 I741 Q764 M765 Q770 I771 C772 I790 I794	L716-F768 HydrophobicContact CD1-CD2 4.44Å; L716-F768 HydrophobicContact CD1-CE2 3.98Å; L734-F768 HydrophobicContact CB-CZ 4.46Å; L734-F768 HydrophobicContact CD2-CE2 3.81Å; L734-F768 HydrophobicContact CD2-CZ 4.09Å; L734-F768 VanDerWaalsContact O-CZ 3.23Å; L734-F768 WeakPolarHBondContact O-CZ 3.47Å; T737-F768 VanDerWaalsContact CB-CE2 3.47Å; T737-F768 HydrophobicContact CG2-CB 4.39Å; T737-F768 HydrophobicContact CG2-CD1 4.32Å; T737-F768 HydrophobicContact CG2-CD2 3.36Å; T737-F768 HydrophobicContact CG2-CE1 4.49Å; T737-F768 HydrophobicContact CG2-CE2 3.59Å; T737-F768 HydrophobicContact CG2-CG 3.77Å; T737-F768 HydrophobicContact CG2-CZ 4.17Å; H738-F768 HydrophobicContact CB-CE1 4.01Å; H738-F768 HydrophobicContact CB-CZ 4.33Å; I741-F768 HydrophobicContact CD1-CB 3.65Å; I741-F768 HydrophobicContact CD1-CD1 3.46Å; I741-F768 VanDerWaalsContact CD1-CD1 3.46Å; I741-F768 HydrophobicContact CD1-CE1 4.32Å; I741-F768 HydrophobicContact CD1-CG 3.73Å; Q764-F768 WeakPolarHBondContact O-CB 3.45Å; Q764-F768 PolarHBondContact O-N 3.05Å; M765-F768 PolarHBondContact O-N 3.05Å; F768-Q770 PolarHBondContact O-N 2.66Å; F768-I771 HydrophobicContact CD2-CB 4.49Å; F768-I771 WeakPolarHBondContact O-CB 3.46Å; F768-I771 PolarHBondContact O-N 3.31Å; F768-C772 VanDerWaalsContact CZ-SG 3.54Å; F768-C772 PolarHBondContact O-N 3.47Å; F768-C772 PolarHBondContact O-SG 3.14Å; F768-C772 VanDerWaalsContact O-SG 3.38Å; F768-I790 HydrophobicContact CE1-CG2 3.57Å; F768-I790 HydrophobicContact CZ-CG2 3.93Å; F768-I794 HydrophobicContact CD1-CD1 3.49Å; F768-I794 VanDerWaalsContact CD1-CD1 3.49Å; F768-I794 HydrophobicContact CE1-CD1 3.53Å
769	C	97.5	Very high	96	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.3	-40.7	172.5	-66	0	0	0	0	112	M765 C772 Q773 L791 Y815	M765-C769 PolarHBondContact O-N 3.02Å; M765-C769 PolarHBondContact O-SG 3.13Å; C769-C772 PolarHBondContact O-N 2.88Å; C769-Q773 WeakPolarHBondContact O-CB 3.35Å; C769-Q773 PolarHBondContact O-N 3.09Å; C769-L791 HydrophobicContact CB-CD1 4.15Å; C769-Y815 HydrophobicContact CB-CE1 4.49Å
770	Q	96.9	Very high	96.2	Very high	79 Å²	79	50.4 Å²	50.4	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-69.1	-36.4	176.7	-70.7	-68.2	-69	0	0	112.5	R766 V767 F768 Q773 H774	R766-Q770 PolarHBondContact O-N 3.06Å; V767-Q770 PolarHBondContact O-N 3.09Å; F768-Q770 PolarHBondContact O-N 2.66Å; Q770-Q773 PolarHBondContact O-N 3.05Å; Q770-H774 PolarHBondContact O-N 3.02Å; Q770-H774 PolarHBondContact O-ND1 3.01Å
771	I	97.9	Very high	96.3	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-48.5	172.8	-72.2	170.3	0	0	0	110.6	Y713 L716 I720 L734 V767 F768 Q773 H774 Y775	Y713-I771 HydrophobicContact CD2-CD1 3.72Å; Y713-I771 HydrophobicContact CE2-CD1 3.89Å; L716-I771 HydrophobicContact CB-CD1 4.42Å; L716-I771 HydrophobicContact CB-CG2 3.97Å; L716-I771 HydrophobicContact CD1-CG2 4.15Å; L716-I771 HydrophobicContact CG-CG2 4.45Å; I720-I771 HydrophobicContact CD1-CB 4.45Å; I720-I771 HydrophobicContact CD1-CG1 4.26Å; I720-I771 HydrophobicContact CD1-CG2 4.17Å; L734-I771 HydrophobicContact CD2-CG2 4.17Å; V767-I771 HydrophobicContact CG1-CD1 4.21Å; V767-I771 PolarHBondContact O-N 3.03Å; V767-I771 VanDerWaalsContact O-N 3.1Å; F768-I771 HydrophobicContact CD2-CB 4.49Å; F768-I771 WeakPolarHBondContact O-CB 3.46Å; F768-I771 PolarHBondContact O-N 3.31Å; I771-Q773 VanDerWaalsContact C-N 3.29Å; I771-Q773 PolarHBondContact O-N 3.12Å; I771-H774 PolarHBondContact O-N 3.1Å; I771-Y775 HydrophobicContact CG2-CD2 3.75Å; I771-Y775 HydrophobicContact CG2-CE2 3.86Å; I771-Y775 WeakPolarHBondContact O-CD2 3.48Å; I771-Y775 PolarHBondContact O-N 3.04Å
772	C	97.8	Very high	96.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-40.4	174.9	-63.2	0	0	0	0	111.8	F768 C769 H774 Y775 L776 L791	F768-C772 VanDerWaalsContact CZ-SG 3.54Å; F768-C772 PolarHBondContact O-N 3.47Å; F768-C772 PolarHBondContact O-SG 3.14Å; F768-C772 VanDerWaalsContact O-SG 3.38Å; C769-C772 PolarHBondContact O-N 2.88Å; C772-H774 PolarHBondContact O-N 2.68Å; C772-Y775 PolarHBondContact O-N 3.06Å; C772-L776 WeakPolarHBondContact O-CB 3.37Å; C772-L776 PolarHBondContact O-N 3.31Å; C772-L791 HydrophobicContact CB-CB 4.15Å; C772-L791 HydrophobicContact CB-CD1 4.12Å; C772-L791 HydrophobicContact CB-CD2 3.91Å; C772-L791 HydrophobicContact CB-CG 4.3Å
773	Q	97.2	Very high	96.3	Very high	19 Å²	19	48.3 Å²	48.3	9%	0.089	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-39.1	176.8	-171.8	174.2	2.4	0	0	112.6	C769 Q770 I771 L776 L791 L821 E824	C769-Q773 WeakPolarHBondContact O-CB 3.35Å; C769-Q773 PolarHBondContact O-N 3.09Å; Q770-Q773 PolarHBondContact O-N 3.05Å; I771-Q773 VanDerWaalsContact C-N 3.29Å; I771-Q773 PolarHBondContact O-N 3.12Å; Q773-L776 WeakPolarHBondContact O-CB 3.42Å; Q773-L791 HydrophobicContact CB-CD2 4.47Å; Q773-L821 HydrophobicContact CB-CD1 4.39Å; Q773-L821 HydrophobicContact CG-CD1 4.02Å; Q773-E824 WeakPolarHBondContact CG-OE2 3.34Å; Q773-E824 VanDerWaalsContact NE2-CD 3.28Å; Q773-E824 PolarHBondContact NE2-OE1 3.42Å; Q773-E824 VanDerWaalsContact NE2-OE1 3.1Å; Q773-E824 PolarHBondContact NE2-OE2 2.9Å
774	H	96.4	Very high	96.4	Very high	102 Å²	102	43 Å²	43	47%	0.472	23%	0.226	S	C	.	.	H	α-helix	trans	-65.6	-47.5	173.4	-73.9	68.1	0	0	0	110.9	I720 Q770 I771 C772 L776 T777	I720-H774 HydrophobicContact CD1-CB 3.98Å; Q770-H774 PolarHBondContact O-N 3.02Å; Q770-H774 PolarHBondContact O-ND1 3.01Å; I771-H774 PolarHBondContact O-N 3.1Å; C772-H774 PolarHBondContact O-N 2.68Å; H774-L776 VanDerWaalsContact C-N 3.29Å; H774-L776 PolarHBondContact O-N 3.49Å; H774-T777 PolarHBondContact O-N 3.03Å; H774-T777 PolarHBondContact O-OG1 3.13Å
775	Y	97.8	Very high	96.3	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-22.8	179.6	-79	-64.6	0	0	0	114.4	L716 I720 V730 L734 I771 C772 T777 N778 V783	L716-Y775 HydrophobicContact CB-CE2 4.37Å; L716-Y775 HydrophobicContact CD2-CD2 4.49Å; L716-Y775 HydrophobicContact CD2-CE2 3.8Å; L716-Y775 PolarHBondContact O-OH 2.91Å; L716-Y775 VanDerWaalsContact O-OH 3.13Å; I720-Y775 HydrophobicContact CD1-CD2 4.14Å; I720-Y775 HydrophobicContact CD1-CE2 3.72Å; I720-Y775 HydrophobicContact CG1-CD2 4.29Å; I720-Y775 HydrophobicContact CG1-CE1 4.35Å; I720-Y775 HydrophobicContact CG1-CE2 3.63Å; V730-Y775 HydrophobicContact CB-CE1 4.4Å; V730-Y775 HydrophobicContact CG1-CD1 3.68Å; V730-Y775 HydrophobicContact CG1-CD2 4.23Å; V730-Y775 HydrophobicContact CG1-CE1 3.45Å; V730-Y775 VanDerWaalsContact CG1-CE1 3.45Å; V730-Y775 HydrophobicContact CG1-CE2 4.01Å; V730-Y775 HydrophobicContact CG1-CG 4.06Å; V730-Y775 HydrophobicContact CG2-CE1 4.01Å; L734-Y775 HydrophobicContact CD2-CD2 4.19Å; I771-Y775 HydrophobicContact CG2-CD2 3.75Å; I771-Y775 HydrophobicContact CG2-CE2 3.86Å; I771-Y775 WeakPolarHBondContact O-CD2 3.48Å; I771-Y775 PolarHBondContact O-N 3.04Å; C772-Y775 PolarHBondContact O-N 3.06Å; Y775-T777 PolarHBondContact O-N 2.85Å; Y775-N778 HydrophobicContact CD1-CB 4.32Å; Y775-N778 WeakPolarHBondContact O-CB 3.42Å; Y775-N778 PolarHBondContact O-N 3.25Å; Y775-V783 HydrophobicContact CD1-CG1 3.63Å; Y775-V783 HydrophobicContact CE1-CG1 4.45Å; Y775-V783 HydrophobicContact CG-CG1 4.18Å
776	L	96.9	Very high	96.3	Very high	8 Å²	8	45 Å²	45	4%	0.042	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24	169.6	-176.7	61.7	0	0	0	112.8	C772 Q773 H774 K784 F788 E824 L825 F828	C772-L776 WeakPolarHBondContact O-CB 3.37Å; C772-L776 PolarHBondContact O-N 3.31Å; Q773-L776 WeakPolarHBondContact O-CB 3.42Å; H774-L776 VanDerWaalsContact C-N 3.29Å; H774-L776 PolarHBondContact O-N 3.49Å; L776-K784 WeakPolarHBondContact O-CD 3.48Å; L776-K784 WeakPolarHBondContact O-CG 3.47Å; L776-F788 HydrophobicContact CD1-CB 3.73Å; L776-F788 HydrophobicContact CD1-CD2 3.9Å; L776-F788 HydrophobicContact CD1-CG 4.31Å; L776-E824 HydrophobicContact CD2-CB 4.09Å; L776-L825 HydrophobicContact CD2-CD2 3.93Å; L776-L825 HydrophobicContact CD2-CG 4.38Å; L776-F828 HydrophobicContact CD1-CB 4.02Å; L776-F828 HydrophobicContact CD1-CD2 3.76Å; L776-F828 HydrophobicContact CD1-CG 3.95Å
777	T	94.3	Very high	96.4	Very high	98 Å²	98	39.4 Å²	39.4	60%	0.601	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	4.1	176.8	68.5	0	0	0	0	114	H774 Y775	H774-T777 PolarHBondContact O-N 3.03Å; H774-T777 PolarHBondContact O-OG1 3.13Å; Y775-T777 PolarHBondContact O-N 2.85Å
778	N	95.1	Very high	96.4	Very high	50 Å²	50	37 Å²	37	27%	0.267	20%	0.2	S	C	.	.	S	Bend	trans	-60.2	153.2	179.4	-170.2	-80.1	0	0	0	111.9	Y775 N780 V783 K784	Y775-N778 HydrophobicContact CD1-CB 4.32Å; Y775-N778 WeakPolarHBondContact O-CB 3.42Å; Y775-N778 PolarHBondContact O-N 3.25Å; N778-N780 PolarHBondContact O-N 2.96Å; N778-N780 WeakPolarHBondContact OD1-CB 3.34Å; N778-N780 PolarHBondContact OD1-N 3.44Å; N778-V783 HydrophobicContact CB-CB 4.43Å; N778-V783 HydrophobicContact CB-CG1 3.95Å; N778-K784 WeakPolarHBondContact O-CE 3.12Å; N778-K784 WeakPolarHBondContact O-CG 3.4Å
779	V	93.4	Very high	96.3	Very high	146 Å²	146	38.6 Å²	38.6	89%	0.885	21%	0.209	S	C	*	.	S	Bend	trans	-65.2	-24.4	178.9	-64.3	0	0	0	0	113.6
780	N	95.1	Very high	96.3	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.23	21%	0.211	C	C	.	.			trans	-91.8	122.3	-176.4	-172	-39.4	0	0	0	112.2	E727 N778 T782 V783 K784	E727-N780 PolarHBondContact OE2-ND2 2.77Å; N778-N780 PolarHBondContact O-N 2.96Å; N778-N780 WeakPolarHBondContact OD1-CB 3.34Å; N778-N780 PolarHBondContact OD1-N 3.44Å; N780-T782 PolarHBondContact O-N 2.91Å; N780-T782 PolarHBondContact OD1-N 2.76Å; N780-T782 PolarHBondContact OD1-OG1 3.21Å; N780-V783 HydrophobicContact CB-CB 4.24Å; N780-V783 HydrophobicContact CB-CG2 4.02Å; N780-V783 PolarHBondContact O-N 3.07Å; N780-K784 WeakPolarHBondContact O-CG 3.49Å; N780-K784 PolarHBondContact O-N 2.95Å
781	T	94	Very high	96.4	Very high	59 Å²	59	35.1 Å²	35.1	36%	0.362	19%	0.193	S	C	.	.	H	α-helix	trans	-56.2	-42.4	179.9	-55	0	0	0	0	113.7	V783 K784 E785 H832	T781-V783 VanDerWaalsContact C-N 3.33Å; T781-V783 PolarHBondContact O-N 3.29Å; T781-K784 WeakPolarHBondContact O-CB 3.46Å; T781-K784 PolarHBondContact O-N 3.22Å; T781-E785 HydrophobicContact CG2-CG 4.25Å; T781-E785 VanDerWaalsContact O-CG 3.28Å; T781-E785 WeakPolarHBondContact O-CG 3.44Å; T781-E785 PolarHBondContact O-N 3.41Å; T781-H832 PolarHBondContact OG1-CE1 3.25Å
782	T	94.2	Very high	96.3	Very high	49 Å²	49	34.5 Å²	34.5	30%	0.301	19%	0.19	S	C	.	.	H	α-helix	trans	-67.8	-36.9	-177.1	64.8	0	0	0	0	111.5	E727 N780 E785 Q786	E727-T782 PolarHBondContact OE2-OG1 3.05Å; N780-T782 PolarHBondContact O-N 2.91Å; N780-T782 PolarHBondContact OD1-N 2.76Å; N780-T782 PolarHBondContact OD1-OG1 3.21Å; T782-E785 WeakPolarHBondContact CA-OE2 3.5Å; T782-E785 PolarHBondContact O-N 3.03Å; T782-Q786 WeakPolarHBondContact O-CB 3.45Å; T782-Q786 PolarHBondContact O-N 3.44Å
783	V	97.3	Very high	96.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-42.9	173	177.8	0	0	0	0	110.9	E727 V730 I731 Y775 N778 N780 T781 A787	E727-V783 HydrophobicContact CB-CG2 3.73Å; V730-V783 HydrophobicContact CG1-CG1 3.8Å; I731-V783 HydrophobicContact CD1-CG2 4.45Å; I731-V783 HydrophobicContact CG1-CG2 4.3Å; Y775-V783 HydrophobicContact CD1-CG1 3.63Å; Y775-V783 HydrophobicContact CE1-CG1 4.45Å; Y775-V783 HydrophobicContact CG-CG1 4.18Å; N778-V783 HydrophobicContact CB-CB 4.43Å; N778-V783 HydrophobicContact CB-CG1 3.95Å; N780-V783 HydrophobicContact CB-CB 4.24Å; N780-V783 HydrophobicContact CB-CG2 4.02Å; N780-V783 PolarHBondContact O-N 3.07Å; T781-V783 VanDerWaalsContact C-N 3.33Å; T781-V783 PolarHBondContact O-N 3.29Å; V783-A787 VanDerWaalsContact O-CB 3.31Å; V783-A787 WeakPolarHBondContact O-CB 3.37Å; V783-A787 PolarHBondContact O-N 3.06Å
784	K	97	Very high	96.1	Very high	41 Å²	41	34 Å²	34	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-50.3	173.9	-63.3	-170.4	-177.3	-176.6	0	111.8	L776 N778 N780 T781 Q786 A787 F788 F828 H832	L776-K784 WeakPolarHBondContact O-CD 3.48Å; L776-K784 WeakPolarHBondContact O-CG 3.47Å; N778-K784 WeakPolarHBondContact O-CE 3.12Å; N778-K784 WeakPolarHBondContact O-CG 3.4Å; N780-K784 WeakPolarHBondContact O-CG 3.49Å; N780-K784 PolarHBondContact O-N 2.95Å; T781-K784 WeakPolarHBondContact O-CB 3.46Å; T781-K784 PolarHBondContact O-N 3.22Å; K784-Q786 VanDerWaalsContact C-N 3.33Å; K784-Q786 PolarHBondContact O-N 3.48Å; K784-A787 PolarHBondContact O-N 2.83Å; K784-F788 WeakPolarHBondContact O-CB 3.35Å; K784-F788 PolarHBondContact O-N 3.36Å; K784-F828 HydrophobicContact CB-CD2 4.13Å; K784-F828 HydrophobicContact CB-CE2 3.73Å; K784-F828 HydrophobicContact CD-CD2 4.43Å; K784-H832 WeakPolarHBondContact CD-NE2 3.47Å; K784-H832 PolarHBondContact NZ-NE2 3.22Å
785	E	95.3	Very high	96.1	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.112	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-42.6	-179	-71.1	168.5	126.2	0	0	111.6	T781 T782 T789 F828 K860 L864	T781-E785 HydrophobicContact CG2-CG 4.25Å; T781-E785 VanDerWaalsContact O-CG 3.28Å; T781-E785 WeakPolarHBondContact O-CG 3.44Å; T781-E785 PolarHBondContact O-N 3.41Å; T782-E785 WeakPolarHBondContact CA-OE2 3.5Å; T782-E785 PolarHBondContact O-N 3.03Å; E785-T789 WeakPolarHBondContact O-CB 3.47Å; E785-T789 PolarHBondContact O-N 3.21Å; E785-T789 PolarHBondContact O-OG1 3.34Å; E785-F828 HydrophobicContact CB-CZ 4.39Å; E785-F828 HydrophobicContact CG-CE2 4.28Å; E785-F828 HydrophobicContact CG-CZ 3.85Å; E785-K860 VanDerWaalsContact CD-CE 3.49Å; E785-K860 WeakPolarHBondContact OE1-CE 3.37Å; E785-K860 IonicContact OE1-NZ 2.84Å; E785-K860 PolarHBondContact OE1-NZ 3.24Å; E785-K860 WeakPolarHBondContact OE2-CE 3.46Å; E785-K860 IonicContact OE2-NZ 3.87Å; E785-K860 PolarHBondContact OE2-NZ 3.49Å; E785-L864 HydrophobicContact CG-CD1 4.19Å
786	Q	97.1	Very high	96	Very high	38 Å²	38	30 Å²	30	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-45.2	178	-177.1	60.4	88.9	0	0	111.9	I731 L734 Q735 T782 K784 I790	I731-Q786 HydrophobicContact CB-CG 4.45Å; I731-Q786 HydrophobicContact CG1-CB 4.24Å; I731-Q786 HydrophobicContact CG1-CG 4.39Å; I731-Q786 HydrophobicContact CG2-CG 4.12Å; L734-Q786 HydrophobicContact CB-CG 4.45Å; L734-Q786 HydrophobicContact CD1-CG 4.28Å; Q735-Q786 HydrophobicContact CG-CG 4.48Å; T782-Q786 WeakPolarHBondContact O-CB 3.45Å; T782-Q786 PolarHBondContact O-N 3.44Å; K784-Q786 VanDerWaalsContact C-N 3.33Å; K784-Q786 PolarHBondContact O-N 3.48Å; Q786-I790 HydrophobicContact CG-CD1 4.12Å; Q786-I790 VanDerWaalsContact NE2-CD1 3.29Å; Q786-I790 WeakPolarHBondContact O-CB 3.3Å; Q786-I790 PolarHBondContact O-N 3.45Å
787	A	97.9	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-43.3	176.6	0	0	0	0	0	111.6	L734 V783 K784 L791	L734-A787 HydrophobicContact CD1-CB 4.17Å; V783-A787 VanDerWaalsContact O-CB 3.31Å; V783-A787 WeakPolarHBondContact O-CB 3.37Å; V783-A787 PolarHBondContact O-N 3.06Å; K784-A787 PolarHBondContact O-N 2.83Å; A787-L791 WeakPolarHBondContact O-CB 3.44Å; A787-L791 PolarHBondContact O-N 2.84Å
788	F	98.3	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-49	176.7	178.6	-94.8	0	0	0	112.4	L776 K784 L791 C792 L825 F828 I829 L864 A867 F868	L776-F788 HydrophobicContact CD1-CB 3.73Å; L776-F788 HydrophobicContact CD1-CD2 3.9Å; L776-F788 HydrophobicContact CD1-CG 4.31Å; K784-F788 WeakPolarHBondContact O-CB 3.35Å; K784-F788 PolarHBondContact O-N 3.36Å; F788-L791 PolarHBondContact O-N 3.34Å; F788-C792 VanDerWaalsContact CZ-SG 3.59Å; F788-C792 PolarHBondContact O-N 2.84Å; F788-C792 PolarHBondContact O-SG 3.49Å; F788-L825 HydrophobicContact CD2-CD2 3.5Å; F788-L825 HydrophobicContact CE2-CB 4.1Å; F788-L825 HydrophobicContact CE2-CD2 3.58Å; F788-L825 HydrophobicContact CE2-CG 4.46Å; F788-L825 WeakPolarHBondContact CE2-O 3.45Å; F788-F828 HydrophobicContact CB-CD1 4.11Å; F788-F828 HydrophobicContact CB-CD2 4.41Å; F788-F828 HydrophobicContact CB-CE1 3.94Å; F788-F828 HydrophobicContact CB-CE2 4.26Å; F788-F828 HydrophobicContact CB-CG 4.35Å; F788-F828 HydrophobicContact CB-CZ 4.02Å; F788-F828 AromaticContact CD1-CD1 3.8Å; F788-F828 HydrophobicContact CD1-CD1 3.8Å; F788-F828 AromaticContact CD1-CE1 3.51Å; F788-F828 HydrophobicContact CD1-CE1 3.51Å; F788-F828 HydrophobicContact CD1-CZ 4.29Å; F788-F828 HydrophobicContact CD2-CB 3.93Å; F788-F828 AromaticContact CD2-CD1 3.18Å; F788-F828 HydrophobicContact CD2-CD1 3.18Å; F788-F828 HydrophobicContact CD2-CD2 4.39Å; F788-F828 AromaticContact CD2-CE1 3.77Å; F788-F828 HydrophobicContact CD2-CE1 3.77Å; F788-F828 AromaticContact CD2-CG 3.56Å; F788-F828 HydrophobicContact CD2-CG 3.56Å; F788-F828 AromaticContact CE1-CD1 3.95Å; F788-F828 HydrophobicContact CE1-CD1 3.95Å; F788-F828 AromaticContact CE1-CE1 3.88Å; F788-F828 HydrophobicContact CE1-CE1 3.88Å; F788-F828 HydrophobicContact CE2-CB 4.13Å; F788-F828 AromaticContact CE2-CD1 3.38Å; F788-F828 HydrophobicContact CE2-CD1 3.38Å; F788-F828 HydrophobicContact CE2-CE1 4.12Å; F788-F828 HydrophobicContact CE2-CG 4.01Å; F788-F828 AromaticContact CG-CD1 3.4Å; F788-F828 HydrophobicContact CG-CD1 3.4Å; F788-F828 VanDerWaalsContact CG-CD1 3.4Å; F788-F828 AromaticContact CG-CE1 3.44Å; F788-F828 HydrophobicContact CG-CE1 3.44Å; F788-F828 VanDerWaalsContact CG-CE1 3.44Å; F788-F828 AromaticContact CG-CG 3.98Å; F788-F828 HydrophobicContact CG-CG 3.98Å; F788-F828 HydrophobicContact CG-CZ 4.04Å; F788-F828 AromaticContact CZ-CD1 3.75Å; F788-F828 HydrophobicContact CZ-CD1 3.75Å; F788-F828 HydrophobicContact CZ-CE1 4.16Å; F788-I829 HydrophobicContact CE1-CD1 4.09Å; F788-I829 HydrophobicContact CE2-CD1 4.43Å; F788-I829 HydrophobicContact CE2-CG1 4.2Å; F788-I829 HydrophobicContact CZ-CD1 3.59Å; F788-I829 HydrophobicContact CZ-CG1 3.75Å; F788-L864 HydrophobicContact CD1-CD2 3.68Å; F788-L864 HydrophobicContact CE1-CB 4.3Å; F788-L864 HydrophobicContact CE1-CD2 4.14Å; F788-A867 HydrophobicContact CE1-CB 4.33Å; F788-F868 HydrophobicContact CZ-CB 4.17Å; F788-F868 HydrophobicContact CZ-CD2 4.44Å
789	T	96	Very high	96	Very high	33 Å²	33	24.1 Å²	24.1	20%	0.202	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-53.4	-176.7	-54.1	0	0	0	0	110.4	E785 L791 C792 D793	E785-T789 WeakPolarHBondContact O-CB 3.47Å; E785-T789 PolarHBondContact O-N 3.21Å; E785-T789 PolarHBondContact O-OG1 3.34Å; T789-L791 PolarHBondContact O-N 3.2Å; T789-C792 WeakPolarHBondContact O-CB 3.44Å; T789-C792 PolarHBondContact O-N 2.86Å; T789-C792 VanDerWaalsContact O-N 3.12Å; T789-D793 PolarHBondContact O-N 3.07Å
790	I	97.2	Very high	95.9	Very high	7 Å²	7	20.2 Å²	20.2	4%	0.036	11%	0.107	C	C	.	.	H	α-helix	trans	-56.3	-39.4	176.1	-76.8	169.3	0	0	0	111.7	L734 Q735 H738 F768 Q786 D793 I794	L734-I790 HydrophobicContact CB-CD1 3.89Å; Q735-I790 HydrophobicContact CG-CD1 4.33Å; H738-I790 HydrophobicContact CB-CD1 4.2Å; H738-I790 HydrophobicContact CB-CG1 4.28Å; H738-I790 HydrophobicContact CB-CG2 3.97Å; F768-I790 HydrophobicContact CE1-CG2 3.57Å; F768-I790 HydrophobicContact CZ-CG2 3.93Å; Q786-I790 HydrophobicContact CG-CD1 4.12Å; Q786-I790 VanDerWaalsContact NE2-CD1 3.29Å; Q786-I790 WeakPolarHBondContact O-CB 3.3Å; Q786-I790 PolarHBondContact O-N 3.45Å; I790-D793 PolarHBondContact O-N 3.34Å; I790-I794 HydrophobicContact CG2-CD1 3.89Å; I790-I794 HydrophobicContact CG2-CG1 4.45Å; I790-I794 WeakPolarHBondContact O-CB 3.32Å; I790-I794 WeakPolarHBondContact O-CG1 3.43Å; I790-I794 PolarHBondContact O-N 2.97Å
791	L	97.6	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.5	-37.4	-179.6	-165.6	50.4	0	0	0	111.6	C769 C772 Q773 A787 F788 T789 L795 L821 L825	C769-L791 HydrophobicContact CB-CD1 4.15Å; C772-L791 HydrophobicContact CB-CB 4.15Å; C772-L791 HydrophobicContact CB-CD1 4.12Å; C772-L791 HydrophobicContact CB-CD2 3.91Å; C772-L791 HydrophobicContact CB-CG 4.3Å; Q773-L791 HydrophobicContact CB-CD2 4.47Å; A787-L791 WeakPolarHBondContact O-CB 3.44Å; A787-L791 PolarHBondContact O-N 2.84Å; F788-L791 PolarHBondContact O-N 3.34Å; T789-L791 PolarHBondContact O-N 3.2Å; L791-L795 HydrophobicContact CD1-CG 4.38Å; L791-L795 HydrophobicContact CG-CD1 4.29Å; L791-L795 VanDerWaalsContact O-CB 3.24Å; L791-L795 WeakPolarHBondContact O-CB 3.41Å; L791-L795 WeakPolarHBondContact O-CG 3.4Å; L791-L795 PolarHBondContact O-N 3.1Å; L791-L821 HydrophobicContact CD1-CD2 4.5Å; L791-L821 HydrophobicContact CD2-CD1 3.52Å; L791-L821 HydrophobicContact CD2-CD2 4.35Å; L791-L821 HydrophobicContact CG-CD1 4.34Å; L791-L825 HydrophobicContact CD2-CD2 4.41Å
792	C	97.4	Very high	95.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-45.6	171.6	-68.2	0	0	0	0	111.9	F788 T789 L795 M796 A867 L871	F788-C792 VanDerWaalsContact CZ-SG 3.59Å; F788-C792 PolarHBondContact O-N 2.84Å; F788-C792 PolarHBondContact O-SG 3.49Å; T789-C792 WeakPolarHBondContact O-CB 3.44Å; T789-C792 PolarHBondContact O-N 2.86Å; T789-C792 VanDerWaalsContact O-N 3.12Å; C792-L795 PolarHBondContact O-N 2.87Å; C792-M796 WeakPolarHBondContact O-CG 3.31Å; C792-M796 PolarHBondContact O-N 2.76Å; C792-A867 HydrophobicContact CB-CB 3.91Å; C792-L871 HydrophobicContact CB-CD1 4.28Å
793	D	94.8	Very high	95.3	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.043	10%	0.1	C	C	.	.	H	α-helix	trans	-73.8	-35.5	-178	-66.6	-48.5	0	0	0	112.5	T789 I790 M796 I797 K870 L1263	T789-D793 PolarHBondContact O-N 3.07Å; I790-D793 PolarHBondContact O-N 3.34Å; D793-M796 PolarHBondContact O-N 2.79Å; D793-I797 WeakPolarHBondContact O-CB 3.1Å; D793-I797 WeakPolarHBondContact O-CD1 3.27Å; D793-I797 WeakPolarHBondContact O-CG1 3.47Å; D793-I797 PolarHBondContact O-N 2.92Å; D793-K870 IonicContact OD1-NZ 3.42Å; D793-K870 PolarHBondContact OD1-NZ 2.97Å; D793-L1263 HydrophobicContact CB-CD2 4.45Å
794	I	95.8	Very high	94.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-43.8	169.6	-74.1	179.9	0	0	0	111.4	H738 M765 F768 I790 M796 I797 F798	H738-I794 WeakPolarHBondContact ND1-CG1 3.38Å; M765-I794 HydrophobicContact CG-CG2 4.28Å; F768-I794 HydrophobicContact CD1-CD1 3.49Å; F768-I794 VanDerWaalsContact CD1-CD1 3.49Å; F768-I794 HydrophobicContact CE1-CD1 3.53Å; I790-I794 HydrophobicContact CG2-CD1 3.89Å; I790-I794 HydrophobicContact CG2-CG1 4.45Å; I790-I794 WeakPolarHBondContact O-CB 3.32Å; I790-I794 WeakPolarHBondContact O-CG1 3.43Å; I790-I794 PolarHBondContact O-N 2.97Å; I794-M796 VanDerWaalsContact C-N 3.29Å; I794-M796 PolarHBondContact O-N 2.71Å; I794-I797 PolarHBondContact O-N 2.8Å; I794-F798 HydrophobicContact CG2-CD2 3.94Å; I794-F798 WeakPolarHBondContact O-CB 3.43Å; I794-F798 PolarHBondContact O-N 2.86Å
795	L	96.7	Very high	94	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-35.4	177.2	-73	175.3	0	0	0	111.7	L791 C792 S799 Y815 P817 L821 L825 L871 V876	L791-L795 HydrophobicContact CD1-CG 4.38Å; L791-L795 HydrophobicContact CG-CD1 4.29Å; L791-L795 VanDerWaalsContact O-CB 3.24Å; L791-L795 WeakPolarHBondContact O-CB 3.41Å; L791-L795 WeakPolarHBondContact O-CG 3.4Å; L791-L795 PolarHBondContact O-N 3.1Å; C792-L795 PolarHBondContact O-N 2.87Å; L795-S799 VanDerWaalsContact O-CB 3.28Å; L795-S799 WeakPolarHBondContact O-CB 3.44Å; L795-S799 PolarHBondContact O-N 2.8Å; L795-Y815 HydrophobicContact CD2-CD1 3.53Å; L795-Y815 HydrophobicContact CD2-CE1 3.72Å; L795-P817 HydrophobicContact CD1-CB 4.02Å; L795-P817 HydrophobicContact CD1-CG 4.3Å; L795-P817 HydrophobicContact CD2-CB 3.88Å; L795-P817 HydrophobicContact CD2-CG 4.18Å; L795-L821 HydrophobicContact CD1-CD2 4.27Å; L795-L825 HydrophobicContact CD1-CD1 3.63Å; L795-L871 HydrophobicContact CB-CD2 3.67Å; L795-L871 HydrophobicContact CD1-CD1 4.44Å; L795-V876 HydrophobicContact CB-CG1 4.04Å; L795-V876 WeakPolarHBondContact O-CG1 3.35Å
796	M	95.9	Very high	93.4	Very high	24 Å²	24	26.7 Å²	26.7	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-52.6	170.9	-82.6	-58	-49.3	0	0	112.5	C792 D793 I794 S799 K870 L871 Y874 V876	C792-M796 WeakPolarHBondContact O-CG 3.31Å; C792-M796 PolarHBondContact O-N 2.76Å; D793-M796 PolarHBondContact O-N 2.79Å; I794-M796 VanDerWaalsContact C-N 3.29Å; I794-M796 PolarHBondContact O-N 2.71Å; M796-S799 VanDerWaalsContact O-CB 3.23Å; M796-S799 WeakPolarHBondContact O-CB 3.28Å; M796-S799 PolarHBondContact O-N 2.8Å; M796-S799 PolarHBondContact O-OG 3.03Å; M796-K870 HydrophobicContact CG-CB 4.19Å; M796-K870 HydrophobicContact SD-CB 4.03Å; M796-L871 HydrophobicContact CG-CD2 3.84Å; M796-L871 HydrophobicContact SD-CD2 4.05Å; M796-Y874 HydrophobicContact CE-CD2 3.5Å; M796-Y874 HydrophobicContact CE-CE2 4.33Å; M796-Y874 HydrophobicContact CE-CG 3.7Å; M796-Y874 HydrophobicContact SD-CD2 4.12Å; M796-Y874 HydrophobicContact SD-CG 4.39Å; M796-V876 HydrophobicContact SD-CG2 3.85Å
797	I	94.3	Very high	92.9	Very high	31 Å²	31	30 Å²	30	16%	0.159	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-42.4	-173.7	-70.2	166.2	0	0	0	111.7	L742 L745 D793 I794 S799 I802 M1267	L742-I797 HydrophobicContact CD1-CD1 4.21Å; L742-I797 HydrophobicContact CD2-CD1 3.71Å; L742-I797 HydrophobicContact CD2-CG2 4.13Å; L745-I797 HydrophobicContact CD2-CG2 3.58Å; D793-I797 WeakPolarHBondContact O-CB 3.1Å; D793-I797 WeakPolarHBondContact O-CD1 3.27Å; D793-I797 WeakPolarHBondContact O-CG1 3.47Å; D793-I797 PolarHBondContact O-N 2.92Å; I794-I797 PolarHBondContact O-N 2.8Å; I797-S799 VanDerWaalsContact C-N 3.33Å; I797-I802 WeakPolarHBondContact O-CB 3.21Å; I797-M1267 HydrophobicContact CD1-CE 4.38Å
798	F	95.6	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	13.5	178.3	-68	-90.7	0	0	0	113.5	I741 L742 L745 L761 M765 I794 I802 L813 V814 Y815	I741-F798 HydrophobicContact CG2-CE2 3.72Å; I741-F798 HydrophobicContact CG2-CZ 3.65Å; L742-F798 HydrophobicContact CD2-CE2 4.46Å; L745-F798 HydrophobicContact CB-CZ 4.4Å; L745-F798 HydrophobicContact CD1-CE1 4.49Å; L745-F798 HydrophobicContact CD2-CE1 4.14Å; L745-F798 HydrophobicContact CD2-CE2 4.27Å; L745-F798 HydrophobicContact CD2-CZ 3.84Å; L761-F798 HydrophobicContact CD2-CE1 4.44Å; M765-F798 HydrophobicContact CE-CB 4.27Å; M765-F798 HydrophobicContact CE-CD1 3.71Å; M765-F798 HydrophobicContact CE-CE1 4.28Å; M765-F798 HydrophobicContact CE-CG 4.08Å; M765-F798 HydrophobicContact CG-CD1 4.21Å; M765-F798 HydrophobicContact CG-CD2 4.13Å; M765-F798 HydrophobicContact CG-CE1 4.27Å; M765-F798 HydrophobicContact CG-CE2 4.19Å; M765-F798 HydrophobicContact CG-CG 4.13Å; M765-F798 HydrophobicContact CG-CZ 4.26Å; I794-F798 HydrophobicContact CG2-CD2 3.94Å; I794-F798 WeakPolarHBondContact O-CB 3.43Å; I794-F798 PolarHBondContact O-N 2.86Å; F798-I802 HydrophobicContact CD1-CD1 4.11Å; F798-I802 HydrophobicContact CE1-CD1 4.5Å; F798-L813 HydrophobicContact CD1-CB 4.1Å; F798-L813 HydrophobicContact CE1-CB 4.33Å; F798-L813 HydrophobicContact CE1-CD1 4.39Å; F798-V814 WeakPolarHBondContact O-CA 3.49Å; F798-Y815 PolarHBondContact O-N 3.1Å
799	S	94.9	Very high	91.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	24%	0.24	C	C	.	.	S	Bend	trans	-64.9	176.2	173	69.7	0	0	0	0	112.6	L795 M796 I797 Q801 I802	L795-S799 VanDerWaalsContact O-CB 3.28Å; L795-S799 WeakPolarHBondContact O-CB 3.44Å; L795-S799 PolarHBondContact O-N 2.8Å; M796-S799 VanDerWaalsContact O-CB 3.23Å; M796-S799 WeakPolarHBondContact O-CB 3.28Å; M796-S799 PolarHBondContact O-N 2.8Å; M796-S799 PolarHBondContact O-OG 3.03Å; I797-S799 VanDerWaalsContact C-N 3.33Å; S799-Q801 PolarHBondContact O-N 2.88Å; S799-Q801 WeakPolarHBondContact OG-CB 3.28Å; S799-Q801 PolarHBondContact OG-N 3.31Å; S799-Q801 VanDerWaalsContact OG-N 3.12Å; S799-I802 WeakPolarHBondContact O-CB 3.36Å; S799-I802 VanDerWaalsContact O-CG2 3.28Å; S799-I802 WeakPolarHBondContact O-CG2 3.29Å; S799-I802 PolarHBondContact O-N 3.37Å
800	H	92.6	Very high	91.5	Very high	63 Å²	63	39 Å²	39	29%	0.292	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-10.8	169	67.3	-96.7	0	0	0	114	I802 M803 Y874 T875	H800-I802 VanDerWaalsContact C-N 3.31Å; H800-M803 HydrophobicContact CB-CE 4.17Å; H800-M803 WeakPolarHBondContact O-CE 3.23Å; H800-M803 VanDerWaalsContact O-CG 3.25Å; H800-M803 WeakPolarHBondContact O-CG 3.46Å; H800-Y874 PolarHBondContact CE1-O 2.87Å; H800-T875 PolarHBondContact CE1-O 2.73Å; H800-T875 PolarHBondContact CE1-OG1 2.83Å
801	Q	90.8	Very high	91.2	Very high	73 Å²	73	44.9 Å²	44.9	34%	0.341	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.1	173.8	-62.1	-63.3	-24.5	0	0	113.4	S799 M803 S804	S799-Q801 PolarHBondContact O-N 2.88Å; S799-Q801 WeakPolarHBondContact OG-CB 3.28Å; S799-Q801 PolarHBondContact OG-N 3.31Å; S799-Q801 VanDerWaalsContact OG-N 3.12Å; Q801-M803 VanDerWaalsContact C-N 3.27Å; Q801-M803 PolarHBondContact O-N 3.36Å; Q801-S804 WeakPolarHBondContact O-CB 3.39Å; Q801-S804 PolarHBondContact O-N 3.34Å; Q801-S804 PolarHBondContact O-OG 3.09Å; Q801-S804 PolarHBondContact OE1-OG 3.5Å
802	I	90.3	Very high	91	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.051	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.2	179.7	-158.8	174.7	0	0	0	112.1	L745 I797 F798 S799 H800 R807 L810 L813 V814	L745-I802 HydrophobicContact CD1-CD1 3.98Å; L745-I802 HydrophobicContact CD2-CD1 4.08Å; I797-I802 WeakPolarHBondContact O-CB 3.21Å; F798-I802 HydrophobicContact CD1-CD1 4.11Å; F798-I802 HydrophobicContact CE1-CD1 4.5Å; S799-I802 WeakPolarHBondContact O-CB 3.36Å; S799-I802 VanDerWaalsContact O-CG2 3.28Å; S799-I802 WeakPolarHBondContact O-CG2 3.29Å; S799-I802 PolarHBondContact O-N 3.37Å; H800-I802 VanDerWaalsContact C-N 3.31Å; I802-R807 PolarHBondContact O-NE 3.28Å; I802-R807 PolarHBondContact O-NH2 3.13Å; I802-R807 VanDerWaalsContact O-NH2 3.17Å; I802-L810 HydrophobicContact CD1-CB 4.31Å; I802-L810 HydrophobicContact CD1-CD1 4.31Å; I802-L810 HydrophobicContact CG1-CB 4.18Å; I802-L810 HydrophobicContact CG1-CD1 3.9Å; I802-L810 HydrophobicContact CG2-CB 4.24Å; I802-L813 HydrophobicContact CD1-CB 4.38Å; I802-V814 HydrophobicContact CG2-CG2 3.67Å
803	M	88.4	Confident	90.9	Very high	72 Å²	72	47.5 Å²	47.5	36%	0.355	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.3	176.8	57.8	177.2	179.9	0	0	113.9	H800 Q801 G806 R807	H800-M803 HydrophobicContact CB-CE 4.17Å; H800-M803 WeakPolarHBondContact O-CE 3.23Å; H800-M803 VanDerWaalsContact O-CG 3.25Å; H800-M803 WeakPolarHBondContact O-CG 3.46Å; Q801-M803 VanDerWaalsContact C-N 3.27Å; Q801-M803 PolarHBondContact O-N 3.36Å; M803-G806 PolarHBondContact O-N 2.97Å; M803-R807 PolarHBondContact O-N 2.99Å
804	S	85.4	Confident	90.9	Very high	51 Å²	51	48.7 Å²	48.7	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	141.1	176.5	-64.6	0	0	0	0	111	Q801 R807	Q801-S804 WeakPolarHBondContact O-CB 3.39Å; Q801-S804 PolarHBondContact O-N 3.34Å; Q801-S804 PolarHBondContact O-OG 3.09Å; Q801-S804 PolarHBondContact OE1-OG 3.5Å; S804-R807 PolarHBondContact O-NE 3.49Å; S804-R807 PolarHBondContact O-NH2 3.46Å
805	G	82.3	Confident	90.9	Very high	86 Å²	86	49.5 Å²	49.5	89%	0.887	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	8.8	-172.9	0	0	0	0	0	115.1
806	G	82.7	Confident	90.9	Very high	63 Å²	63	54.2 Å²	54.2	65%	0.649	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	30.3	178	0	0	0	0	0	113.6	M803 D808	M803-G806 PolarHBondContact O-N 2.97Å; G806-D808 VanDerWaalsContact C-N 3.34Å; G806-D808 PolarHBondContact O-N 3.23Å
807	R	85.8	Confident	90.9	Very high	107 Å²	107	53.2 Å²	53.2	40%	0.404	31%	0.31	S	S	.	.			trans	-99	42.9	179.8	-64.1	-175.2	-63	-136.5	-4.4	111.5	I802 M803 S804 M809 L810	I802-R807 PolarHBondContact O-NE 3.28Å; I802-R807 PolarHBondContact O-NH2 3.13Å; I802-R807 VanDerWaalsContact O-NH2 3.17Å; M803-R807 PolarHBondContact O-N 2.99Å; S804-R807 PolarHBondContact O-NE 3.49Å; S804-R807 PolarHBondContact O-NH2 3.46Å; R807-M809 PolarHBondContact O-N 3.17Å; R807-L810 HydrophobicContact CB-CD1 3.99Å; R807-L810 HydrophobicContact CB-CG 4.24Å; R807-L810 WeakPolarHBondContact O-CB 3.44Å; R807-L810 PolarHBondContact O-N 3.45Å
808	D	86.3	Confident	90.8	Very high	119 Å²	119	56.6 Å²	56.6	64%	0.636	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-53	-28.9	-176.2	-52.7	-13.1	0	0	0	112.9	G806 L810 E811	G806-D808 VanDerWaalsContact C-N 3.34Å; G806-D808 PolarHBondContact O-N 3.23Å; D808-L810 PolarHBondContact O-N 3.19Å; D808-L810 VanDerWaalsContact O-N 3.11Å; D808-E811 VanDerWaalsContact O-CB 3.27Å; D808-E811 WeakPolarHBondContact O-CB 3.44Å; D808-E811 PolarHBondContact O-N 3.25Å
809	M	86.3	Confident	90.8	Very high	102 Å²	102	61 Å²	61	50%	0.502	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-58.7	-20.2	174.2	72	-173.3	-167	0	0	114.4	L758 R807 P812	L758-M809 WeakPolarHBondContact CD1-O 3.47Å; R807-M809 PolarHBondContact O-N 3.17Å; M809-P812 WeakPolarHBondContact O-CD 3.27Å
810	L	90.3	Very high	90.8	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-92.6	-4.1	178.3	-52.9	-177.8	0	0	0	113.1	I748 I802 R807 D808 P812 L813	I748-L810 HydrophobicContact CG2-CD2 3.83Å; I802-L810 HydrophobicContact CD1-CB 4.31Å; I802-L810 HydrophobicContact CD1-CD1 4.31Å; I802-L810 HydrophobicContact CG1-CB 4.18Å; I802-L810 HydrophobicContact CG1-CD1 3.9Å; I802-L810 HydrophobicContact CG2-CB 4.24Å; R807-L810 HydrophobicContact CB-CD1 3.99Å; R807-L810 HydrophobicContact CB-CG 4.24Å; R807-L810 WeakPolarHBondContact O-CB 3.44Å; R807-L810 PolarHBondContact O-N 3.45Å; D808-L810 PolarHBondContact O-N 3.19Å; D808-L810 VanDerWaalsContact O-N 3.11Å; L810-P812 VanDerWaalsContact C-N 3.26Å; L810-L813 HydrophobicContact CD2-CD1 4.1Å; L810-L813 WeakPolarHBondContact O-CB 3.48Å; L810-L813 PolarHBondContact O-N 2.87Å
811	E	92.1	Very high	90.9	Very high	130 Å²	130	60.6 Å²	60.6	61%	0.607	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-45.9	-43.5	172.6	-179.1	-162.9	-146	0	0	112.7	D808 L813 V814	D808-E811 VanDerWaalsContact O-CB 3.27Å; D808-E811 WeakPolarHBondContact O-CB 3.44Å; D808-E811 PolarHBondContact O-N 3.25Å; E811-L813 PolarHBondContact O-N 3.37Å; E811-L813 VanDerWaalsContact O-N 3.11Å; E811-V814 WeakPolarHBondContact O-CB 3.46Å; E811-V814 WeakPolarHBondContact O-CG2 3.46Å; E811-V814 PolarHBondContact O-N 3.45Å; E811-V814 VanDerWaalsContact O-N 3.09Å
812	P	93.1	Very high	91.3	Very high	55 Å²	55	58.1 Å²	58.1	36%	0.357	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-68.6	-13.4	-178.6	-16	31	0	0	0	113.5	L758 K762 M809 L810	L758-P812 HydrophobicContact CD2-CB 3.88Å; L758-P812 HydrophobicContact CD2-CG 4.31Å; K762-P812 WeakPolarHBondContact CD-O 3.5Å; K762-P812 WeakPolarHBondContact CE-O 3.47Å; K762-P812 PolarHBondContact NZ-O 3.07Å; M809-P812 WeakPolarHBondContact O-CD 3.27Å; L810-P812 VanDerWaalsContact C-N 3.26Å
813	L	94.1	Very high	91.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-85.1	-13.1	175.3	-62.9	-179.6	0	0	0	113.3	L745 L758 L761 K762 M765 F798 I802 L810 E811 Y815	L745-L813 HydrophobicContact CD1-CD1 3.75Å; L758-L813 HydrophobicContact CD2-CD2 3.68Å; L758-L813 HydrophobicContact CD2-CG 3.93Å; L758-L813 HydrophobicContact CG-CD1 4.32Å; L758-L813 HydrophobicContact CG-CD2 3.89Å; L758-L813 HydrophobicContact CG-CG 4.03Å; L761-L813 HydrophobicContact CB-CD2 4.46Å; L761-L813 HydrophobicContact CD2-CD1 3.9Å; L761-L813 HydrophobicContact CD2-CD2 4.33Å; L761-L813 HydrophobicContact CG-CD2 4.31Å; K762-L813 HydrophobicContact CB-CD2 3.93Å; M765-L813 WeakPolarHBondContact CE-O 3.19Å; F798-L813 HydrophobicContact CD1-CB 4.1Å; F798-L813 HydrophobicContact CE1-CB 4.33Å; F798-L813 HydrophobicContact CE1-CD1 4.39Å; I802-L813 HydrophobicContact CD1-CB 4.38Å; L810-L813 HydrophobicContact CD2-CD1 4.1Å; L810-L813 WeakPolarHBondContact O-CB 3.48Å; L810-L813 PolarHBondContact O-N 2.87Å; E811-L813 PolarHBondContact O-N 3.37Å; E811-L813 VanDerWaalsContact O-N 3.11Å; L813-Y815 PolarHBondContact O-N 3.19Å
814	V	95.8	Very high	91.9	Very high	32 Å²	32	60.7 Å²	60.7	19%	0.194	37%	0.371	C	S	.	.			trans	-55.4	131.7	-177.1	175.8	0	0	0	0	111.4	F798 I802 E811	F798-V814 WeakPolarHBondContact O-CA 3.49Å; I802-V814 HydrophobicContact CG2-CG2 3.67Å; E811-V814 WeakPolarHBondContact O-CB 3.46Å; E811-V814 WeakPolarHBondContact O-CG2 3.46Å; E811-V814 PolarHBondContact O-N 3.45Å; E811-V814 VanDerWaalsContact O-N 3.09Å
815	Y	96.3	Very high	92.5	Very high	18 Å²	18	58.2 Å²	58.2	7%	0.071	36%	0.355	C	S	.	.			trans	-121.4	144.7	174.6	-166.7	-89	0	0	0	109.4	M765 R766 C769 L795 F798 L813	M765-Y815 HydrophobicContact CE-CD2 4.33Å; M765-Y815 HydrophobicContact SD-CD2 3.76Å; M765-Y815 HydrophobicContact SD-CG 4.08Å; R766-Y815 HydrophobicContact CG-CD2 3.92Å; R766-Y815 HydrophobicContact CG-CE2 3.95Å; C769-Y815 HydrophobicContact CB-CE1 4.49Å; L795-Y815 HydrophobicContact CD2-CD1 3.53Å; L795-Y815 HydrophobicContact CD2-CE1 3.72Å; F798-Y815 PolarHBondContact O-N 3.1Å; L813-Y815 PolarHBondContact O-N 3.19Å
816	T	95.3	Very high	93.3	Very high	98 Å²	98	55.1 Å²	55.1	60%	0.601	32%	0.317	S	S	*	.			trans	-132.1	129.9	176.1	-53.2	0	0	0	0	106.3	D818	T816-D818 PolarHBondContact O-N 2.87Å
817	P	96.2	Very high	94	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.026	30%	0.304	C	S	.	.			trans	-70	129.4	-177.9	27.1	-31.2	0	0	0	110.5	L795 L821 Q822 V876 V877	L795-P817 HydrophobicContact CD1-CB 4.02Å; L795-P817 HydrophobicContact CD1-CG 4.3Å; L795-P817 HydrophobicContact CD2-CB 3.88Å; L795-P817 HydrophobicContact CD2-CG 4.18Å; P817-L821 HydrophobicContact CB-CB 4.44Å; P817-L821 HydrophobicContact CB-CD2 3.89Å; P817-L821 HydrophobicContact CB-CG 4.12Å; P817-Q822 HydrophobicContact CB-CG 3.86Å; P817-Q822 HydrophobicContact CG-CG 3.77Å; P817-Q822 PolarHBondContact O-NE2 3.26Å; P817-V876 WeakPolarHBondContact CD-O 3.36Å; P817-V876 HydrophobicContact CG-CG1 4.45Å; P817-V876 VanDerWaalsContact CG-O 3.32Å; P817-V876 WeakPolarHBondContact CG-O 3.17Å; P817-V877 HydrophobicContact CG-CG1 4.09Å
818	D	93.3	Very high	94.5	Very high	101 Å²	101	49.8 Å²	49.8	54%	0.54	29%	0.286	S	S	.	.			trans	-62.4	155.9	172.7	-68.1	-50.4	0	0	0	111	T816 S820 L821 Q822	T816-D818 PolarHBondContact O-N 2.87Å; D818-S820 PolarHBondContact O-N 3.42Å; D818-S820 VanDerWaalsContact O-N 3.13Å; D818-L821 PolarHBondContact O-N 2.84Å; D818-Q822 PolarHBondContact O-N 3.39Å
819	S	94.1	Very high	95.1	Very high	93 Å²	93	44.1 Å²	44.1	65%	0.65	26%	0.256	S	S	*	.	H	α-helix	trans	-61.9	-25	-173.2	58.4	0	0	0	0	114.3	S823	S819-S823 WeakPolarHBondContact O-CB 3.42Å; S819-S823 PolarHBondContact O-N 3.49Å; S819-S823 PolarHBondContact O-OG 3.29Å
820	S	95.2	Very high	95.6	Very high	57 Å²	57	41.9 Å²	41.9	40%	0.399	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-54.7	169.6	45.1	0	0	0	0	111	D818 Q822 S823 E824	D818-S820 PolarHBondContact O-N 3.42Å; D818-S820 VanDerWaalsContact O-N 3.13Å; S820-Q822 VanDerWaalsContact C-N 3.33Å; S820-Q822 PolarHBondContact O-N 3.41Å; S820-S823 CarbonylContact O-C 3.6Å; S820-S823 WeakPolarHBondContact O-CA 3.46Å; S820-S823 WeakPolarHBondContact O-CB 3.29Å; S820-S823 PolarHBondContact O-N 3.12Å; S820-E824 WeakPolarHBondContact CB-OE1 3.41Å; S820-E824 WeakPolarHBondContact O-CG 3.39Å; S820-E824 PolarHBondContact O-N 2.82Å
821	L	96.2	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-40.5	178.4	175.9	56.3	0	0	0	112.3	Q773 L791 L795 P817 D818 S823 E824 L825	Q773-L821 HydrophobicContact CB-CD1 4.39Å; Q773-L821 HydrophobicContact CG-CD1 4.02Å; L791-L821 HydrophobicContact CD1-CD2 4.5Å; L791-L821 HydrophobicContact CD2-CD1 3.52Å; L791-L821 HydrophobicContact CD2-CD2 4.35Å; L791-L821 HydrophobicContact CG-CD1 4.34Å; L795-L821 HydrophobicContact CD1-CD2 4.27Å; P817-L821 HydrophobicContact CB-CB 4.44Å; P817-L821 HydrophobicContact CB-CD2 3.89Å; P817-L821 HydrophobicContact CB-CG 4.12Å; D818-L821 PolarHBondContact O-N 2.84Å; L821-S823 VanDerWaalsContact C-N 3.25Å; L821-S823 PolarHBondContact O-N 2.81Å; L821-E824 PolarHBondContact O-N 2.95Å; L821-L825 HydrophobicContact CD1-CD1 3.95Å; L821-L825 HydrophobicContact CD1-CD2 4.36Å; L821-L825 HydrophobicContact CD1-CG 3.84Å; L821-L825 HydrophobicContact CG-CD1 4.03Å; L821-L825 HydrophobicContact CG-CG 4.39Å; L821-L825 WeakPolarHBondContact O-CB 3.23Å; L821-L825 VanDerWaalsContact O-CG 3.25Å; L821-L825 WeakPolarHBondContact O-CG 3.34Å; L821-L825 PolarHBondContact O-N 2.94Å
822	Q	97.3	Very high	95.9	Very high	20 Å²	20	41.9 Å²	41.9	9%	0.093	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-36.1	174.1	-61.8	-168.2	43.4	0	0	112.4	P817 D818 S820 L826 V877	P817-Q822 HydrophobicContact CB-CG 3.86Å; P817-Q822 HydrophobicContact CG-CG 3.77Å; P817-Q822 PolarHBondContact O-NE2 3.26Å; D818-Q822 PolarHBondContact O-N 3.39Å; S820-Q822 VanDerWaalsContact C-N 3.33Å; S820-Q822 PolarHBondContact O-N 3.41Å; Q822-L826 PolarHBondContact O-N 2.97Å; Q822-V877 HydrophobicContact CG-CB 4.35Å; Q822-V877 HydrophobicContact CG-CG1 3.97Å
823	S	95.6	Very high	96	Very high	78 Å²	78	39.3 Å²	39.3	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-74.6	-39.1	177.8	-54	0	0	0	0	112.2	S819 S820 L821 L826 S827	S819-S823 WeakPolarHBondContact O-CB 3.42Å; S819-S823 PolarHBondContact O-N 3.49Å; S819-S823 PolarHBondContact O-OG 3.29Å; S820-S823 CarbonylContact O-C 3.6Å; S820-S823 WeakPolarHBondContact O-CA 3.46Å; S820-S823 WeakPolarHBondContact O-CB 3.29Å; S820-S823 PolarHBondContact O-N 3.12Å; L821-S823 VanDerWaalsContact C-N 3.25Å; L821-S823 PolarHBondContact O-N 2.81Å; S823-L826 PolarHBondContact O-N 3.05Å; S823-S827 PolarHBondContact O-N 3.18Å
824	E	97.5	Very high	96	Very high	58 Å²	58	40.1 Å²	40.1	27%	0.271	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-41.3	178.2	-70.6	158.4	-139.8	0	0	111.9	Q773 L776 S820 L821 L826 S827 F828	Q773-E824 WeakPolarHBondContact CG-OE2 3.34Å; Q773-E824 VanDerWaalsContact NE2-CD 3.28Å; Q773-E824 PolarHBondContact NE2-OE1 3.42Å; Q773-E824 VanDerWaalsContact NE2-OE1 3.1Å; Q773-E824 PolarHBondContact NE2-OE2 2.9Å; L776-E824 HydrophobicContact CD2-CB 4.09Å; S820-E824 WeakPolarHBondContact CB-OE1 3.41Å; S820-E824 WeakPolarHBondContact O-CG 3.39Å; S820-E824 PolarHBondContact O-N 2.82Å; L821-E824 PolarHBondContact O-N 2.95Å; E824-L826 VanDerWaalsContact C-N 3.32Å; E824-L826 PolarHBondContact O-N 3.12Å; E824-S827 PolarHBondContact O-N 3.08Å; E824-F828 PolarHBondContact O-N 3.45Å
825	L	98.1	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-38.5	172.2	-68.9	169.2	0	0	0	111.7	L776 F788 L791 L795 L821 I829 F868 L871	L776-L825 HydrophobicContact CD2-CD2 3.93Å; L776-L825 HydrophobicContact CD2-CG 4.38Å; F788-L825 HydrophobicContact CD2-CD2 3.5Å; F788-L825 HydrophobicContact CE2-CB 4.1Å; F788-L825 HydrophobicContact CE2-CD2 3.58Å; F788-L825 HydrophobicContact CE2-CG 4.46Å; F788-L825 WeakPolarHBondContact CE2-O 3.45Å; L791-L825 HydrophobicContact CD2-CD2 4.41Å; L795-L825 HydrophobicContact CD1-CD1 3.63Å; L821-L825 HydrophobicContact CD1-CD1 3.95Å; L821-L825 HydrophobicContact CD1-CD2 4.36Å; L821-L825 HydrophobicContact CD1-CG 3.84Å; L821-L825 HydrophobicContact CG-CD1 4.03Å; L821-L825 HydrophobicContact CG-CG 4.39Å; L821-L825 WeakPolarHBondContact O-CB 3.23Å; L821-L825 VanDerWaalsContact O-CG 3.25Å; L821-L825 WeakPolarHBondContact O-CG 3.34Å; L821-L825 PolarHBondContact O-N 2.94Å; L825-I829 PolarHBondContact O-N 3.44Å; L825-F868 HydrophobicContact CB-CD2 4.01Å; L825-F868 HydrophobicContact CB-CE2 3.64Å; L825-L871 HydrophobicContact CD1-CD1 4.32Å
826	L	97.7	Very high	94.8	Very high	20 Å²	20	48.6 Å²	48.6	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-39.8	175	-177.1	61.2	0	0	0	112.1	Q822 S823 E824 F828 I829 L830 F868 T881 D884 I885	Q822-L826 PolarHBondContact O-N 2.97Å; S823-L826 PolarHBondContact O-N 3.05Å; E824-L826 VanDerWaalsContact C-N 3.32Å; E824-L826 PolarHBondContact O-N 3.12Å; L826-F828 VanDerWaalsContact C-N 3.35Å; L826-F828 PolarHBondContact O-N 3.37Å; L826-I829 PolarHBondContact O-N 2.96Å; L826-L830 HydrophobicContact CG-CD1 4.34Å; L826-L830 WeakPolarHBondContact O-CG 3.4Å; L826-L830 PolarHBondContact O-N 2.83Å; L826-F868 HydrophobicContact CB-CZ 4.06Å; L826-F868 HydrophobicContact CD1-CE1 3.95Å; L826-F868 HydrophobicContact CD1-CZ 4.17Å; L826-T881 HydrophobicContact CD2-CG2 4.29Å; L826-D884 HydrophobicContact CD1-CB 4.4Å; L826-D884 HydrophobicContact CD2-CB 4.45Å; L826-I885 HydrophobicContact CD1-CD1 4.42Å; L826-I885 HydrophobicContact CD1-CG1 4.47Å
827	S	97.3	Very high	93.1	Very high	54 Å²	54	48.8 Å²	48.8	38%	0.378	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-49.4	173.6	-163.6	0	0	0	0	110.3	S823 E824 I829 L830 D831	S823-S827 PolarHBondContact O-N 3.18Å; E824-S827 PolarHBondContact O-N 3.08Å; S827-I829 VanDerWaalsContact C-N 3.27Å; S827-I829 PolarHBondContact O-N 3.07Å; S827-L830 PolarHBondContact O-N 2.9Å; S827-D831 WeakPolarHBondContact O-CB 3.23Å; S827-D831 PolarHBondContact O-N 3.05Å; S827-D831 PolarHBondContact OG-OD2 2.87Å
828	F	97.7	Very high	91.1	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-42.2	177.3	175.9	-84.5	0	0	0	112.5	L776 K784 E785 F788 E824 L826 D831 H832 L864	L776-F828 HydrophobicContact CD1-CB 4.02Å; L776-F828 HydrophobicContact CD1-CD2 3.76Å; L776-F828 HydrophobicContact CD1-CG 3.95Å; K784-F828 HydrophobicContact CB-CD2 4.13Å; K784-F828 HydrophobicContact CB-CE2 3.73Å; K784-F828 HydrophobicContact CD-CD2 4.43Å; E785-F828 HydrophobicContact CB-CZ 4.39Å; E785-F828 HydrophobicContact CG-CE2 4.28Å; E785-F828 HydrophobicContact CG-CZ 3.85Å; F788-F828 HydrophobicContact CB-CD1 4.11Å; F788-F828 HydrophobicContact CB-CD2 4.41Å; F788-F828 HydrophobicContact CB-CE1 3.94Å; F788-F828 HydrophobicContact CB-CE2 4.26Å; F788-F828 HydrophobicContact CB-CG 4.35Å; F788-F828 HydrophobicContact CB-CZ 4.02Å; F788-F828 AromaticContact CD1-CD1 3.8Å; F788-F828 HydrophobicContact CD1-CD1 3.8Å; F788-F828 AromaticContact CD1-CE1 3.51Å; F788-F828 HydrophobicContact CD1-CE1 3.51Å; F788-F828 HydrophobicContact CD1-CZ 4.29Å; F788-F828 HydrophobicContact CD2-CB 3.93Å; F788-F828 AromaticContact CD2-CD1 3.18Å; F788-F828 HydrophobicContact CD2-CD1 3.18Å; F788-F828 HydrophobicContact CD2-CD2 4.39Å; F788-F828 AromaticContact CD2-CE1 3.77Å; F788-F828 HydrophobicContact CD2-CE1 3.77Å; F788-F828 AromaticContact CD2-CG 3.56Å; F788-F828 HydrophobicContact CD2-CG 3.56Å; F788-F828 AromaticContact CE1-CD1 3.95Å; F788-F828 HydrophobicContact CE1-CD1 3.95Å; F788-F828 AromaticContact CE1-CE1 3.88Å; F788-F828 HydrophobicContact CE1-CE1 3.88Å; F788-F828 HydrophobicContact CE2-CB 4.13Å; F788-F828 AromaticContact CE2-CD1 3.38Å; F788-F828 HydrophobicContact CE2-CD1 3.38Å; F788-F828 HydrophobicContact CE2-CE1 4.12Å; F788-F828 HydrophobicContact CE2-CG 4.01Å; F788-F828 AromaticContact CG-CD1 3.4Å; F788-F828 HydrophobicContact CG-CD1 3.4Å; F788-F828 VanDerWaalsContact CG-CD1 3.4Å; F788-F828 AromaticContact CG-CE1 3.44Å; F788-F828 HydrophobicContact CG-CE1 3.44Å; F788-F828 VanDerWaalsContact CG-CE1 3.44Å; F788-F828 AromaticContact CG-CG 3.98Å; F788-F828 HydrophobicContact CG-CG 3.98Å; F788-F828 HydrophobicContact CG-CZ 4.04Å; F788-F828 AromaticContact CZ-CD1 3.75Å; F788-F828 HydrophobicContact CZ-CD1 3.75Å; F788-F828 HydrophobicContact CZ-CE1 4.16Å; E824-F828 PolarHBondContact O-N 3.45Å; L826-F828 VanDerWaalsContact C-N 3.35Å; L826-F828 PolarHBondContact O-N 3.37Å; F828-D831 PolarHBondContact O-N 3.44Å; F828-H832 AromaticContact CD2-CD2 3.46Å; F828-H832 VanDerWaalsContact CD2-CD2 3.46Å; F828-H832 WeakPolarHBondContact CD2-CD2 3.45Å; F828-H832 HydrophobicContact CE1-CB 4.25Å; F828-H832 HydrophobicContact CE2-CB 4.16Å; F828-H832 AromaticContact CE2-CD2 3.56Å; F828-H832 AromaticContact CE2-CG 3.77Å; F828-H832 HydrophobicContact CZ-CB 3.98Å; F828-H832 WeakPolarHBondContact O-CB 3.42Å; F828-H832 PolarHBondContact O-CD2 3.24Å; F828-H832 PolarHBondContact O-N 3.23Å; F828-L864 HydrophobicContact CE1-CB 4.46Å; F828-L864 HydrophobicContact CE1-CD1 4.1Å; F828-L864 HydrophobicContact CE1-CD2 4.06Å; F828-L864 HydrophobicContact CE1-CG 4.44Å; F828-L864 HydrophobicContact CZ-CD1 4.11Å; F828-L864 HydrophobicContact CZ-CD2 4.26Å
829	I	97.9	Very high	88.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-42.8	175.4	-73	-64	0	0	0	112	F788 L825 L826 S827 V833 F834 L864 L865 F868 I885	F788-I829 HydrophobicContact CE1-CD1 4.09Å; F788-I829 HydrophobicContact CE2-CD1 4.43Å; F788-I829 HydrophobicContact CE2-CG1 4.2Å; F788-I829 HydrophobicContact CZ-CD1 3.59Å; F788-I829 HydrophobicContact CZ-CG1 3.75Å; L825-I829 PolarHBondContact O-N 3.44Å; L826-I829 PolarHBondContact O-N 2.96Å; S827-I829 VanDerWaalsContact C-N 3.27Å; S827-I829 PolarHBondContact O-N 3.07Å; I829-V833 HydrophobicContact CD1-CG2 3.77Å; I829-V833 WeakPolarHBondContact O-CA 3.39Å; I829-V833 VanDerWaalsContact O-CB 3.23Å; I829-V833 WeakPolarHBondContact O-CB 3.42Å; I829-V833 PolarHBondContact O-N 3.47Å; I829-F834 HydrophobicContact CG2-CD2 3.96Å; I829-F834 HydrophobicContact CG2-CE2 3.56Å; I829-F834 PolarHBondContact O-N 3.4Å; I829-L864 WeakPolarHBondContact CD1-O 3.3Å; I829-L865 HydrophobicContact CG2-CD1 4.05Å; I829-F868 HydrophobicContact CD1-CB 3.92Å; I829-F868 HydrophobicContact CG1-CB 3.78Å; I829-F868 HydrophobicContact CG1-CD1 4.39Å; I829-F868 HydrophobicContact CG1-CD2 4.32Å; I829-F868 HydrophobicContact CG1-CG 3.92Å; I829-I885 HydrophobicContact CG2-CD1 4.35Å; I829-I885 HydrophobicContact CG2-CG1 4.34Å
830	L	95.9	Very high	86.4	Confident	54 Å²	54	59 Å²	59	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-43.6	177.1	-67	170.9	0	0	0	111.7	L826 S827 F834 D884	L826-L830 HydrophobicContact CG-CD1 4.34Å; L826-L830 WeakPolarHBondContact O-CG 3.4Å; L826-L830 PolarHBondContact O-N 2.83Å; S827-L830 PolarHBondContact O-N 2.9Å; L830-F834 HydrophobicContact CD2-CD2 4.18Å; L830-D884 HydrophobicContact CD2-CB 4.3Å
831	D	95.1	Very high	83.9	Confident	90 Å²	90	63.2 Å²	63.2	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-74.7	-33.8	-175.5	-61	-40.2	0	0	0	113.4	S827 F828	S827-D831 WeakPolarHBondContact O-CB 3.23Å; S827-D831 PolarHBondContact O-N 3.05Å; S827-D831 PolarHBondContact OG-OD2 2.87Å; F828-D831 PolarHBondContact O-N 3.44Å
832	H	94.1	Very high	81.3	Confident	42 Å²	42	68.9 Å²	68.9	19%	0.194	37%	0.365	C	S	.	.	H	α-helix	trans	-115.6	-13.6	-171.4	-64.3	-85.3	0	0	0	115.5	T781 K784 F828 R861	T781-H832 PolarHBondContact OG1-CE1 3.25Å; K784-H832 WeakPolarHBondContact CD-NE2 3.47Å; K784-H832 PolarHBondContact NZ-NE2 3.22Å; F828-H832 AromaticContact CD2-CD2 3.46Å; F828-H832 VanDerWaalsContact CD2-CD2 3.46Å; F828-H832 WeakPolarHBondContact CD2-CD2 3.45Å; F828-H832 HydrophobicContact CE1-CB 4.25Å; F828-H832 HydrophobicContact CE2-CB 4.16Å; F828-H832 AromaticContact CE2-CD2 3.56Å; F828-H832 AromaticContact CE2-CG 3.77Å; F828-H832 HydrophobicContact CZ-CB 3.98Å; F828-H832 WeakPolarHBondContact O-CB 3.42Å; F828-H832 PolarHBondContact O-CD2 3.24Å; F828-H832 PolarHBondContact O-N 3.23Å; H832-R861 VanDerWaalsContact O-CD 3.3Å; H832-R861 WeakPolarHBondContact O-CD 3.34Å
833	V	95.2	Very high	78.4	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-48.8	175.3	-179.8	0	0	0	0	111.7	I829 I835 R861 L864 L865 Y896	I829-V833 HydrophobicContact CD1-CG2 3.77Å; I829-V833 WeakPolarHBondContact O-CA 3.39Å; I829-V833 VanDerWaalsContact O-CB 3.23Å; I829-V833 WeakPolarHBondContact O-CB 3.42Å; I829-V833 PolarHBondContact O-N 3.47Å; V833-I835 VanDerWaalsContact C-N 3.27Å; V833-I835 PolarHBondContact O-N 3.43Å; V833-I835 VanDerWaalsContact O-N 3.16Å; V833-R861 HydrophobicContact CG1-CB 4.5Å; V833-L864 HydrophobicContact CG2-CB 4.12Å; V833-L865 HydrophobicContact CG1-CB 4.03Å; V833-L865 HydrophobicContact CG1-CD1 4.44Å; V833-L865 HydrophobicContact CG1-CD2 4.29Å; V833-L865 HydrophobicContact CG1-CG 4.48Å; V833-L865 HydrophobicContact CG2-CB 4.46Å; V833-Y896 HydrophobicContact CG1-CD1 4.41Å; V833-Y896 HydrophobicContact CG1-CD2 4.1Å; V833-Y896 HydrophobicContact CG1-CE1 3.94Å; V833-Y896 HydrophobicContact CG1-CE2 3.6Å; V833-Y896 WeakPolarHBondContact O-CE2 3.49Å; V833-Y896 PolarHBondContact O-OH 3.44Å; V833-Y896 VanDerWaalsContact O-OH 3.13Å
834	F	94.9	Very high	75.9	Confident	18 Å²	18	72.9 Å²	72.9	8%	0.079	40%	0.402	C	S	.	.	S	Bend	trans	-92.3	43.9	-171.7	-62.5	-65.8	0	0	0	113.6	I829 L830 L865 I885 Q888 Y892 Y896 I900	I829-F834 HydrophobicContact CG2-CD2 3.96Å; I829-F834 HydrophobicContact CG2-CE2 3.56Å; I829-F834 PolarHBondContact O-N 3.4Å; L830-F834 HydrophobicContact CD2-CD2 4.18Å; F834-L865 HydrophobicContact CE2-CD1 4.06Å; F834-L865 HydrophobicContact CZ-CD1 3.81Å; F834-L865 HydrophobicContact CZ-CD2 4.16Å; F834-I885 HydrophobicContact CE2-CG1 4.14Å; F834-I885 HydrophobicContact CZ-CG2 4.3Å; F834-Q888 HydrophobicContact CD1-CB 3.8Å; F834-Q888 HydrophobicContact CD1-CG 3.7Å; F834-Q888 HydrophobicContact CD2-CG 4.14Å; F834-Q888 HydrophobicContact CE1-CB 3.49Å; F834-Q888 VanDerWaalsContact CE1-CB 3.49Å; F834-Q888 HydrophobicContact CE1-CG 3.69Å; F834-Q888 HydrophobicContact CE2-CG 4.13Å; F834-Q888 HydrophobicContact CG-CG 3.92Å; F834-Q888 HydrophobicContact CZ-CB 3.98Å; F834-Q888 HydrophobicContact CZ-CG 3.91Å; F834-Y892 HydrophobicContact CB-CE2 4.08Å; F834-Y892 AromaticContact CD1-CD2 3.6Å; F834-Y892 HydrophobicContact CD1-CD2 3.6Å; F834-Y892 AromaticContact CD1-CE2 3.87Å; F834-Y892 HydrophobicContact CD1-CE2 3.87Å; F834-Y892 HydrophobicContact CD1-CG 4.06Å; F834-Y892 HydrophobicContact CE1-CD2 4.27Å; F834-Y892 HydrophobicContact CG-CE2 4.44Å; F834-Y892 PolarHBondContact O-OH 3.27Å; F834-Y896 AromaticContact CD1-CD2 3.94Å; F834-Y896 HydrophobicContact CD1-CD2 3.94Å; F834-Y896 HydrophobicContact CD1-CE2 4.13Å; F834-Y896 AromaticContact CE1-CD2 3.64Å; F834-Y896 HydrophobicContact CE1-CD2 3.64Å; F834-Y896 HydrophobicContact CE1-CE2 4.24Å; F834-Y896 HydrophobicContact CE1-CG 4.44Å; F834-I900 HydrophobicContact CE1-CD1 4.17Å; F834-I900 HydrophobicContact CZ-CD1 4.33Å
835	I	89.8	Confident	73.1	Confident	89 Å²	89	76.3 Å²	76.3	46%	0.456	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-73.3	143.2	176.8	-46.8	174.8	0	0	0	109.2	V833 Y892	V833-I835 VanDerWaalsContact C-N 3.27Å; V833-I835 PolarHBondContact O-N 3.43Å; V833-I835 VanDerWaalsContact O-N 3.16Å; I835-Y892 VanDerWaalsContact C-OH 3.24Å; I835-Y892 WeakPolarHBondContact O-CE1 3.39Å; I835-Y892 PolarHBondContact O-OH 3.42Å
836	E	76.3	Confident	70.4	Confident	139 Å²	139	80.1 Å²	80.1	65%	0.65	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-67.2	134.4	169.2	-55.8	-150.3	118.5	0	0	109.7	K891	E836-K891 WeakPolarHBondContact OE1-CE 3.24Å; E836-K891 IonicContact OE1-NZ 3.88Å; E836-K891 PolarHBondContact OE1-NZ 3.49Å
837	Q	59.4	Low	67.8	Low	101 Å²	101	86.7 Å²	86.7	47%	0.472	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-92.7	123.9	173.5	-71.3	172.7	34	0	0	107.6	D839 D895	Q837-D839 PolarHBondContact O-N 3.43Å; Q837-D839 VanDerWaalsContact O-N 3.07Å; Q837-D895 PolarHBondContact NE2-OD2 3.19Å
838	D	54.3	Low	65.3	Low	146 Å²	146	92.5 Å²	92.5	78%	0.781	51%	0.512	S	S	*	.			trans	-64.5	108.2	172	-68.1	-42.7	0	0	0	109	D840	D838-D840 HydrophobicContact CB-CB 4.35Å; D838-D840 PolarHBondContact O-N 3.35Å; D838-D840 VanDerWaalsContact O-N 3.08Å
839	D	47.6	Very low	63.1	Low	159 Å²	159	98.7 Å²	98.7	85%	0.85	54%	0.541	S	S	*	.			trans	-63.6	-3.9	166.2	-88.6	-43	0	0	0	111.9	Q837 N841	Q837-D839 PolarHBondContact O-N 3.43Å; Q837-D839 VanDerWaalsContact O-N 3.07Å; D839-N841 PolarHBondContact O-N 2.92Å; D839-N841 VanDerWaalsContact O-N 3.12Å; D839-N841 PolarHBondContact O-ND2 2.7Å
840	D	41.8	Very low	61.7	Low	107 Å²	107	103.7 Å²	103.7	57%	0.572	57%	0.568	S	S	*	*			trans	-69.1	105	-178	-104.6	-39.4	0	0	0	112.1	D838 N842	D838-D840 HydrophobicContact CB-CB 4.35Å; D838-D840 PolarHBondContact O-N 3.35Å; D838-D840 VanDerWaalsContact O-N 3.08Å; D840-N842 HydrophobicContact CB-CB 4.16Å; D840-N842 PolarHBondContact O-N 3.02Å; D840-N842 PolarHBondContact OD1-ND2 2.75Å
841	N	43.2	Very low	60.6	Low	146 Å²	146	106.1 Å²	106.1	78%	0.781	58%	0.578	S	S	*	*			trans	-71.6	34.5	161.3	-73.9	-107.8	0	0	0	111.3	D839	D839-N841 PolarHBondContact O-N 2.92Å; D839-N841 VanDerWaalsContact O-N 3.12Å; D839-N841 PolarHBondContact O-ND2 2.7Å
842	N	39.8	Very low	59.5	Low	120 Å²	120	104.2 Å²	104.2	64%	0.642	58%	0.575	S	S	*	*			trans	-130.4	38.3	-167.1	-70.9	-52.9	0	0	0	112.1	D840 A844	D840-N842 HydrophobicContact CB-CB 4.16Å; D840-N842 PolarHBondContact O-N 3.02Å; D840-N842 PolarHBondContact OD1-ND2 2.75Å; N842-A844 PolarHBondContact O-N 2.95Å; N842-A844 VanDerWaalsContact O-N 3.13Å
843	S	37.7	Very low	58.6	Low	71 Å²	71	104.6 Å²	104.6	50%	0.497	58%	0.582	S	S	.	*			trans	-56.6	119.3	160	59.9	0	0	0	0	108.4	D845	S843-D845 CarbonylContact C-O 3.58Å; S843-D845 WeakPolarHBondContact CB-O 3.43Å; S843-D845 CarbonylContact O-C 3.58Å; S843-D845 PolarHBondContact O-N 3.03Å; S843-D845 VanDerWaalsContact O-O 3.08Å; S843-D845 PolarHBondContact OG-O 3.28Å
844	A	42.6	Very low	57.8	Low	111 Å²	111	109.1 Å²	109.1	92%	0.917	60%	0.602	S	S	*	*	S	Bend	trans	-68.3	-25	-174.5	0	0	0	0	0	112.3	N842	N842-A844 PolarHBondContact O-N 2.95Å; N842-A844 VanDerWaalsContact O-N 3.13Å
845	D	39.8	Very low	56.8	Low	130 Å²	130	111.3 Å²	111.3	70%	0.695	61%	0.614	S	S	*	*	S	Bend	trans	-82.8	127	157.2	-81.4	-54.6	0	0	0	109.7	S843 Q847	S843-D845 CarbonylContact C-O 3.58Å; S843-D845 WeakPolarHBondContact CB-O 3.43Å; S843-D845 CarbonylContact O-C 3.58Å; S843-D845 PolarHBondContact O-N 3.03Å; S843-D845 VanDerWaalsContact O-O 3.08Å; S843-D845 PolarHBondContact OG-O 3.28Å; D845-Q847 PolarHBondContact O-N 2.98Å
846	G	41.4	Very low	56.2	Low	80 Å²	80	113.8 Å²	113.8	83%	0.825	62%	0.623	S	S	*	*			trans	-73.4	29.1	-175.1	0	0	0	0	0	115.3
847	Q	42	Very low	56.6	Low	157 Å²	157	109.1 Å²	109.1	73%	0.734	61%	0.608	S	S	*	*			trans	-88.2	104	168.6	-71.4	178.6	-32.6	0	0	108.1	D845 E849	D845-Q847 PolarHBondContact O-N 2.98Å; Q847-E849 PolarHBondContact O-N 3.31Å; Q847-E849 VanDerWaalsContact O-N 3.14Å
848	Q	45.3	Very low	57.7	Low	176 Å²	176	104.9 Å²	104.9	82%	0.822	59%	0.589	S	S	*	*			trans	-68	108.6	163.4	-67.4	-176.5	-75.7	0	0	107.5	D850	Q848-D850 PolarHBondContact O-N 3.06Å
849	E	50.8	Low	59	Low	135 Å²	135	102 Å²	102	63%	0.631	57%	0.571	S	S	*	*			trans	-56	130.6	165.2	-72.5	-176.1	155.4	0	0	109.4	Q847 K854	Q847-E849 PolarHBondContact O-N 3.31Å; Q847-E849 VanDerWaalsContact O-N 3.14Å; E849-K854 PolarHBondContact O-NZ 2.89Å
850	D	68.2	Low	60.9	Low	106 Å²	106	99.2 Å²	99.2	57%	0.567	55%	0.551	S	S	*	*			trans	-57.3	150.6	-175	-166.6	-3	0	0	0	112.8	Q848 A852 S853 K854	Q848-D850 PolarHBondContact O-N 3.06Å; D850-A852 HydrophobicContact CB-CB 4.48Å; D850-A852 PolarHBondContact O-N 3.13Å; D850-A852 PolarHBondContact OD1-N 2.58Å; D850-A852 WeakPolarHBondContact OD2-CB 3.47Å; D850-S853 PolarHBondContact O-OG 2.73Å; D850-K854 PolarHBondContact O-N 3.39Å
851	E	73.2	Confident	63.2	Low	105 Å²	105	96.6 Å²	96.6	49%	0.491	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-28.1	169.9	-78.3	-150.1	-146.4	0	0	111.2	K854 I855	E851-K854 PolarHBondContact O-N 3.27Å; E851-I855 WeakPolarHBondContact O-CB 3.31Å; E851-I855 WeakPolarHBondContact O-CD1 3.46Å; E851-I855 VanDerWaalsContact O-CG1 3.24Å; E851-I855 WeakPolarHBondContact O-CG1 3.45Å; E851-I855 PolarHBondContact O-N 3.13Å
852	A	71.3	Confident	65.6	Low	49 Å²	49	90.2 Å²	90.2	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-58.6	-56.7	175.7	0	0	0	0	0	112.5	D850 K854 I855 E856	D850-A852 HydrophobicContact CB-CB 4.48Å; D850-A852 PolarHBondContact O-N 3.13Å; D850-A852 PolarHBondContact OD1-N 2.58Å; D850-A852 WeakPolarHBondContact OD2-CB 3.47Å; A852-K854 VanDerWaalsContact C-N 3.26Å; A852-K854 PolarHBondContact O-N 3.11Å; A852-I855 WeakPolarHBondContact O-CA 3.48Å; A852-I855 WeakPolarHBondContact O-CB 3.08Å; A852-I855 PolarHBondContact O-N 3.02Å; A852-E856 PolarHBondContact O-N 3.33Å
853	S	75.8	Confident	67.9	Low	50 Å²	50	86.9 Å²	86.9	35%	0.35	48%	0.48	S	S	.	.	H	α-helix	trans	-62.7	-33.2	-179	66.1	0	0	0	0	112.6	D850 E856 A857	D850-S853 PolarHBondContact O-OG 2.73Å; S853-E856 PolarHBondContact O-N 3.22Å; S853-A857 WeakPolarHBondContact O-CB 3.43Å; S853-A857 PolarHBondContact O-N 3.45Å
854	K	77.9	Confident	70.6	Confident	96 Å²	96	83.8 Å²	83.8	42%	0.417	46%	0.458	S	S	.	.	H	α-helix	trans	-67.3	-35.6	173.5	-73.5	166.3	178.2	156.3	0	112.4	E849 D850 E851 A852 L858	E849-K854 PolarHBondContact O-NZ 2.89Å; D850-K854 PolarHBondContact O-N 3.39Å; E851-K854 PolarHBondContact O-N 3.27Å; A852-K854 VanDerWaalsContact C-N 3.26Å; A852-K854 PolarHBondContact O-N 3.11Å; K854-L858 VanDerWaalsContact O-CB 3.27Å; K854-L858 WeakPolarHBondContact O-CB 3.48Å; K854-L858 PolarHBondContact O-N 2.99Å; K854-L858 VanDerWaalsContact O-N 3.09Å
855	I	75.3	Confident	73.2	Confident	65 Å²	65	78.5 Å²	78.5	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-69.9	-42.4	173.7	-72	165.3	0	0	0	110.8	E851 A852 L858 H859	E851-I855 WeakPolarHBondContact O-CB 3.31Å; E851-I855 WeakPolarHBondContact O-CD1 3.46Å; E851-I855 VanDerWaalsContact O-CG1 3.24Å; E851-I855 WeakPolarHBondContact O-CG1 3.45Å; E851-I855 PolarHBondContact O-N 3.13Å; A852-I855 WeakPolarHBondContact O-CA 3.48Å; A852-I855 WeakPolarHBondContact O-CB 3.08Å; A852-I855 PolarHBondContact O-N 3.02Å; I855-L858 PolarHBondContact O-N 2.98Å; I855-H859 PolarHBondContact O-CD2 3.2Å; I855-H859 PolarHBondContact O-N 3.43Å
856	E	76.6	Confident	75.7	Confident	140 Å²	140	72.5 Å²	72.5	65%	0.654	38%	0.383	S	S	*	.	H	α-helix	trans	-61.7	-50.2	175.6	-68.5	-173.4	152.6	0	0	112.2	A852 S853 L858 H859 K860	A852-E856 PolarHBondContact O-N 3.33Å; S853-E856 PolarHBondContact O-N 3.22Å; E856-L858 PolarHBondContact O-N 2.92Å; E856-H859 WeakPolarHBondContact O-CB 3.04Å; E856-H859 PolarHBondContact O-N 2.91Å; E856-K860 PolarHBondContact O-N 3.26Å
857	A	84.1	Confident	78.2	Confident	41 Å²	41	68.7 Å²	68.7	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-35.9	177.1	0	0	0	0	0	111.7	S853 R861	S853-A857 WeakPolarHBondContact O-CB 3.43Å; S853-A857 PolarHBondContact O-N 3.45Å; A857-R861 WeakPolarHBondContact O-CG 3.23Å; A857-R861 PolarHBondContact O-N 3.13Å; A857-R861 VanDerWaalsContact O-N 3.09Å; A857-R861 PolarHBondContact O-NH1 3.42Å
858	L	83.9	Confident	80.9	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-42.6	172.1	173.6	59.3	0	0	0	112.4	K854 I855 E856 K860 R861 R862 D895 Y896	K854-L858 VanDerWaalsContact O-CB 3.27Å; K854-L858 WeakPolarHBondContact O-CB 3.48Å; K854-L858 PolarHBondContact O-N 2.99Å; K854-L858 VanDerWaalsContact O-N 3.09Å; I855-L858 PolarHBondContact O-N 2.98Å; E856-L858 PolarHBondContact O-N 2.92Å; L858-K860 VanDerWaalsContact C-N 3.33Å; L858-K860 PolarHBondContact O-N 2.93Å; L858-R861 PolarHBondContact O-N 2.89Å; L858-R862 HydrophobicContact CD1-CG 4.09Å; L858-R862 HydrophobicContact CG-CG 4.47Å; L858-R862 WeakPolarHBondContact O-CB 3.38Å; L858-R862 VanDerWaalsContact O-CG 3.31Å; L858-R862 WeakPolarHBondContact O-CG 3.31Å; L858-R862 PolarHBondContact O-N 3.16Å; L858-D895 HydrophobicContact CD1-CB 3.59Å; L858-D895 WeakPolarHBondContact CD2-OD1 3.48Å; L858-Y896 HydrophobicContact CD1-CE1 3.82Å
859	H	81.4	Confident	83.4	Confident	86 Å²	86	52.9 Å²	52.9	40%	0.398	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-42.9	175.2	-95.5	-115.2	0	0	0	111.6	I855 E856 R862 N863	I855-H859 PolarHBondContact O-CD2 3.2Å; I855-H859 PolarHBondContact O-N 3.43Å; E856-H859 WeakPolarHBondContact O-CB 3.04Å; E856-H859 PolarHBondContact O-N 2.91Å; H859-R862 WeakPolarHBondContact O-CB 3.21Å; H859-R862 PolarHBondContact O-N 2.97Å; H859-N863 PolarHBondContact O-N 2.85Å
860	K	86.7	Confident	85.5	Confident	101 Å²	101	47.1 Å²	47.1	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-59.2	-51	174.5	-164.6	-176.3	-174.3	-159.4	0	111.7	E785 E856 L858 R862 N863 L864	E785-K860 VanDerWaalsContact CD-CE 3.49Å; E785-K860 WeakPolarHBondContact OE1-CE 3.37Å; E785-K860 IonicContact OE1-NZ 2.84Å; E785-K860 PolarHBondContact OE1-NZ 3.24Å; E785-K860 WeakPolarHBondContact OE2-CE 3.46Å; E785-K860 IonicContact OE2-NZ 3.87Å; E785-K860 PolarHBondContact OE2-NZ 3.49Å; E856-K860 PolarHBondContact O-N 3.26Å; L858-K860 VanDerWaalsContact C-N 3.33Å; L858-K860 PolarHBondContact O-N 2.93Å; K860-R862 VanDerWaalsContact C-N 3.34Å; K860-R862 PolarHBondContact O-N 3.41Å; K860-N863 PolarHBondContact O-N 3.47Å; K860-N863 VanDerWaalsContact O-N 3.15Å; K860-L864 WeakPolarHBondContact O-CG 3.41Å; K860-L864 PolarHBondContact O-N 2.87Å
861	R	91	Very high	86.9	Confident	51 Å²	51	42 Å²	42	19%	0.192	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-36.6	175.6	-68.5	-170.8	-56	-85.2	3.1	112.9	H832 V833 A857 L858 L864 L865 Y896	H832-R861 VanDerWaalsContact O-CD 3.3Å; H832-R861 WeakPolarHBondContact O-CD 3.34Å; V833-R861 HydrophobicContact CG1-CB 4.5Å; A857-R861 WeakPolarHBondContact O-CG 3.23Å; A857-R861 PolarHBondContact O-N 3.13Å; A857-R861 VanDerWaalsContact O-N 3.09Å; A857-R861 PolarHBondContact O-NH1 3.42Å; L858-R861 PolarHBondContact O-N 2.89Å; R861-L864 PolarHBondContact O-N 3.47Å; R861-L865 PolarHBondContact O-N 3.32Å; R861-Y896 HydrophobicContact CB-CE1 4.17Å; R861-Y896 VanDerWaalsContact CB-OH 3.32Å; R861-Y896 WeakPolarHBondContact CB-OH 3.27Å; R861-Y896 WeakPolarHBondContact CD-OH 3.47Å; R861-Y896 PolarHBondContact NE-OH 3.32Å
862	R	92.4	Very high	88	Confident	12 Å²	12	37 Å²	37	5%	0.045	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-40.8	173.1	-78.5	173.5	64.7	88.2	1.3	111.7	L858 H859 K860 L865 A866 D895 Y896 D898 I899	L858-R862 HydrophobicContact CD1-CG 4.09Å; L858-R862 HydrophobicContact CG-CG 4.47Å; L858-R862 WeakPolarHBondContact O-CB 3.38Å; L858-R862 VanDerWaalsContact O-CG 3.31Å; L858-R862 WeakPolarHBondContact O-CG 3.31Å; L858-R862 PolarHBondContact O-N 3.16Å; H859-R862 WeakPolarHBondContact O-CB 3.21Å; H859-R862 PolarHBondContact O-N 2.97Å; K860-R862 VanDerWaalsContact C-N 3.34Å; K860-R862 PolarHBondContact O-N 3.41Å; R862-L865 PolarHBondContact O-N 3.22Å; R862-A866 WeakPolarHBondContact O-CB 3.45Å; R862-A866 PolarHBondContact O-N 3.2Å; R862-D895 WeakPolarHBondContact CD-O 3.4Å; R862-D895 WeakPolarHBondContact CG-O 3.46Å; R862-D895 PolarHBondContact NH1-O 3.38Å; R862-Y896 HydrophobicContact CG-CD1 3.85Å; R862-Y896 HydrophobicContact CG-CE1 3.89Å; R862-D898 IonicContact CZ-OD1 3.7Å; R862-D898 IonicContact CZ-OD2 2.64Å; R862-D898 IonicContact NH1-OD1 3.52Å; R862-D898 PolarHBondContact NH1-OD1 3.34Å; R862-D898 IonicContact NH1-OD2 2.66Å; R862-D898 PolarHBondContact NH1-OD2 3.39Å; R862-D898 IonicContact NH2-OD1 2.74Å; R862-D898 PolarHBondContact NH2-OD1 3.01Å; R862-D898 IonicContact NH2-OD2 3.63Å; R862-D898 PolarHBondContact NH2-OD2 2.89Å; R862-I899 HydrophobicContact CB-CD1 3.85Å; R862-I899 HydrophobicContact CG-CD1 3.98Å
863	N	87.5	Confident	89.2	Confident	51 Å²	51	35.1 Å²	35.1	27%	0.273	18%	0.175	S	C	.	.	H	α-helix	trans	-66.4	-44.8	176.6	-166.5	40	0	0	0	112.1	H859 K860 L865 A866 A867	H859-N863 PolarHBondContact O-N 2.85Å; K860-N863 PolarHBondContact O-N 3.47Å; K860-N863 VanDerWaalsContact O-N 3.15Å; N863-L865 VanDerWaalsContact C-N 3.33Å; N863-L865 PolarHBondContact O-N 3.02Å; N863-A866 PolarHBondContact O-N 2.87Å; N863-A867 PolarHBondContact O-N 2.74Å
864	L	94.4	Very high	90.1	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-44.8	175.2	-64.7	168.9	0	0	0	111.5	E785 F788 F828 I829 V833 K860 R861 A867 F868	E785-L864 HydrophobicContact CG-CD1 4.19Å; F788-L864 HydrophobicContact CD1-CD2 3.68Å; F788-L864 HydrophobicContact CE1-CB 4.3Å; F788-L864 HydrophobicContact CE1-CD2 4.14Å; F828-L864 HydrophobicContact CE1-CB 4.46Å; F828-L864 HydrophobicContact CE1-CD1 4.1Å; F828-L864 HydrophobicContact CE1-CD2 4.06Å; F828-L864 HydrophobicContact CE1-CG 4.44Å; F828-L864 HydrophobicContact CZ-CD1 4.11Å; F828-L864 HydrophobicContact CZ-CD2 4.26Å; I829-L864 WeakPolarHBondContact CD1-O 3.3Å; V833-L864 HydrophobicContact CG2-CB 4.12Å; K860-L864 WeakPolarHBondContact O-CG 3.41Å; K860-L864 PolarHBondContact O-N 2.87Å; R861-L864 PolarHBondContact O-N 3.47Å; L864-A867 WeakPolarHBondContact O-CB 3.4Å; L864-A867 PolarHBondContact O-N 3.38Å; L864-F868 PolarHBondContact O-N 3.12Å
865	L	97.2	Very high	90.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-42.7	175.4	-174.2	61.1	0	0	0	112.5	I829 V833 F834 R861 R862 N863 A867 F868 C869 I885 Y896 I899 I900	I829-L865 HydrophobicContact CG2-CD1 4.05Å; V833-L865 HydrophobicContact CG1-CB 4.03Å; V833-L865 HydrophobicContact CG1-CD1 4.44Å; V833-L865 HydrophobicContact CG1-CD2 4.29Å; V833-L865 HydrophobicContact CG1-CG 4.48Å; V833-L865 HydrophobicContact CG2-CB 4.46Å; F834-L865 HydrophobicContact CE2-CD1 4.06Å; F834-L865 HydrophobicContact CZ-CD1 3.81Å; F834-L865 HydrophobicContact CZ-CD2 4.16Å; R861-L865 PolarHBondContact O-N 3.32Å; R862-L865 PolarHBondContact O-N 3.22Å; N863-L865 VanDerWaalsContact C-N 3.33Å; N863-L865 PolarHBondContact O-N 3.02Å; L865-A867 VanDerWaalsContact C-N 3.3Å; L865-A867 PolarHBondContact O-N 2.95Å; L865-F868 PolarHBondContact O-N 3.03Å; L865-C869 WeakPolarHBondContact O-CB 3.34Å; L865-C869 PolarHBondContact O-N 2.93Å; L865-C869 PolarHBondContact O-SG 3.15Å; L865-I885 HydrophobicContact CD1-CD1 4.37Å; L865-I885 HydrophobicContact CD1-CG2 4.27Å; L865-Y896 HydrophobicContact CD2-CD1 3.88Å; L865-Y896 HydrophobicContact CD2-CD2 4.37Å; L865-Y896 HydrophobicContact CD2-CG 3.69Å; L865-I899 HydrophobicContact CD2-CB 4.45Å; L865-I899 HydrophobicContact CD2-CG2 4.14Å; L865-I899 HydrophobicContact CG-CG2 4.12Å; L865-I900 HydrophobicContact CD2-CG1 4.24Å
866	A	93.7	Very high	91.9	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-38.5	175.5	0	0	0	0	0	111.6	R862 N863 F868 C869 K870 F1251	R862-A866 WeakPolarHBondContact O-CB 3.45Å; R862-A866 PolarHBondContact O-N 3.2Å; N863-A866 PolarHBondContact O-N 2.87Å; A866-F868 PolarHBondContact O-N 2.83Å; A866-C869 PolarHBondContact O-N 2.64Å; A866-K870 WeakPolarHBondContact O-CG 3.46Å; A866-K870 PolarHBondContact O-N 3.02Å; A866-F1251 HydrophobicContact CB-CB 4.07Å; A866-F1251 HydrophobicContact CB-CD1 3.76Å; A866-F1251 HydrophobicContact CB-CG 4.1Å
867	A	93.9	Very high	92.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-45.6	176.6	0	0	0	0	0	112.7	F788 C792 N863 L864 L865 K870	F788-A867 HydrophobicContact CE1-CB 4.33Å; C792-A867 HydrophobicContact CB-CB 3.91Å; N863-A867 PolarHBondContact O-N 2.74Å; L864-A867 WeakPolarHBondContact O-CB 3.4Å; L864-A867 PolarHBondContact O-N 3.38Å; L865-A867 VanDerWaalsContact C-N 3.3Å; L865-A867 PolarHBondContact O-N 2.95Å; A867-K870 WeakPolarHBondContact O-CB 3.36Å
868	F	98.1	Very high	93.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-71.3	-36.9	174	-164.5	-101.9	0	0	0	112.8	F788 L825 L826 I829 L864 L865 A866 K870 L871 I872 V877 T881 I885	F788-F868 HydrophobicContact CZ-CB 4.17Å; F788-F868 HydrophobicContact CZ-CD2 4.44Å; L825-F868 HydrophobicContact CB-CD2 4.01Å; L825-F868 HydrophobicContact CB-CE2 3.64Å; L826-F868 HydrophobicContact CB-CZ 4.06Å; L826-F868 HydrophobicContact CD1-CE1 3.95Å; L826-F868 HydrophobicContact CD1-CZ 4.17Å; I829-F868 HydrophobicContact CD1-CB 3.92Å; I829-F868 HydrophobicContact CG1-CB 3.78Å; I829-F868 HydrophobicContact CG1-CD1 4.39Å; I829-F868 HydrophobicContact CG1-CD2 4.32Å; I829-F868 HydrophobicContact CG1-CG 3.92Å; L864-F868 PolarHBondContact O-N 3.12Å; L865-F868 PolarHBondContact O-N 3.03Å; A866-F868 PolarHBondContact O-N 2.83Å; F868-K870 VanDerWaalsContact C-N 3.3Å; F868-K870 PolarHBondContact O-N 3.08Å; F868-L871 HydrophobicContact CD2-CD1 4.1Å; F868-L871 WeakPolarHBondContact O-CB 3.44Å; F868-L871 PolarHBondContact O-N 3.02Å; F868-L871 VanDerWaalsContact O-N 3.1Å; F868-I872 HydrophobicContact CD1-CD1 3.61Å; F868-I872 HydrophobicContact CD1-CG1 4.27Å; F868-I872 HydrophobicContact CE1-CD1 3.63Å; F868-I872 HydrophobicContact CE1-CG1 4.11Å; F868-I872 PolarHBondContact O-N 3Å; F868-V877 HydrophobicContact CZ-CG2 4.25Å; F868-T881 HydrophobicContact CZ-CG2 4.43Å; F868-I885 HydrophobicContact CD1-CD1 3.48Å; F868-I885 VanDerWaalsContact CD1-CD1 3.48Å; F868-I885 HydrophobicContact CE1-CD1 3.76Å
869	C	97.4	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-32.4	176.9	-67.6	0	0	0	0	112.4	L865 A866 L871 I872 V873 I899 T903 F1252	L865-C869 WeakPolarHBondContact O-CB 3.34Å; L865-C869 PolarHBondContact O-N 2.93Å; L865-C869 PolarHBondContact O-SG 3.15Å; A866-C869 PolarHBondContact O-N 2.64Å; C869-L871 VanDerWaalsContact C-N 3.34Å; C869-L871 PolarHBondContact O-N 2.86Å; C869-I872 PolarHBondContact O-N 3.11Å; C869-V873 WeakPolarHBondContact O-CG1 3.43Å; C869-V873 WeakPolarHBondContact O-CG2 3.39Å; C869-V873 PolarHBondContact O-N 2.96Å; C869-I899 HydrophobicContact CB-CG2 4.48Å; C869-T903 HydrophobicContact CB-CG2 4.1Å; C869-T903 WeakPolarHBondContact CB-OG1 3.48Å; C869-T903 PolarHBondContact SG-OG1 3.42Å; C869-T903 VanDerWaalsContact SG-OG1 3.42Å; C869-F1252 HydrophobicContact CB-CE1 4.03Å; C869-F1252 HydrophobicContact CB-CZ 3.85Å
870	K	95.4	Very high	94.7	Very high	14 Å²	14	27.9 Å²	27.9	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-53.9	-50	168	-76.1	-176.6	-73.2	178.2	0	110.3	D793 M796 A866 A867 F868 I872 V873 Y874	D793-K870 IonicContact OD1-NZ 3.42Å; D793-K870 PolarHBondContact OD1-NZ 2.97Å; M796-K870 HydrophobicContact CG-CB 4.19Å; M796-K870 HydrophobicContact SD-CB 4.03Å; A866-K870 WeakPolarHBondContact O-CG 3.46Å; A866-K870 PolarHBondContact O-N 3.02Å; A867-K870 WeakPolarHBondContact O-CB 3.36Å; F868-K870 VanDerWaalsContact C-N 3.3Å; F868-K870 PolarHBondContact O-N 3.08Å; K870-I872 VanDerWaalsContact C-N 3.32Å; K870-I872 PolarHBondContact O-N 3.35Å; K870-V873 PolarHBondContact O-N 3.06Å; K870-Y874 WeakPolarHBondContact O-CD2 3.46Å; K870-Y874 PolarHBondContact O-N 3.46Å
871	L	97.3	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-38.8	179.5	-60.5	172.9	0	0	0	113	C792 L795 M796 L825 F868 C869 T875 V876 V877	C792-L871 HydrophobicContact CB-CD1 4.28Å; L795-L871 HydrophobicContact CB-CD2 3.67Å; L795-L871 HydrophobicContact CD1-CD1 4.44Å; M796-L871 HydrophobicContact CG-CD2 3.84Å; M796-L871 HydrophobicContact SD-CD2 4.05Å; L825-L871 HydrophobicContact CD1-CD1 4.32Å; F868-L871 HydrophobicContact CD2-CD1 4.1Å; F868-L871 WeakPolarHBondContact O-CB 3.44Å; F868-L871 PolarHBondContact O-N 3.02Å; F868-L871 VanDerWaalsContact O-N 3.1Å; C869-L871 VanDerWaalsContact C-N 3.34Å; C869-L871 PolarHBondContact O-N 2.86Å; L871-T875 PolarHBondContact O-N 2.72Å; L871-V876 HydrophobicContact CB-CB 4.21Å; L871-V876 HydrophobicContact CD2-CB 3.81Å; L871-V876 HydrophobicContact CD2-CG1 3.77Å; L871-V876 HydrophobicContact CD2-CG2 4.22Å; L871-V876 PolarHBondContact O-N 3.38Å; L871-V877 HydrophobicContact CB-CG1 4.05Å; L871-V877 HydrophobicContact CB-CG2 3.88Å; L871-V877 HydrophobicContact CD1-CG1 4.18Å; L871-V877 PolarHBondContact O-N 2.91Å
872	I	97.1	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-52.2	176.7	-69.1	159.8	0	0	0	110.8	F868 C869 K870 Y874 T875 V877 A882 I885 T903 T907	F868-I872 HydrophobicContact CD1-CD1 3.61Å; F868-I872 HydrophobicContact CD1-CG1 4.27Å; F868-I872 HydrophobicContact CE1-CD1 3.63Å; F868-I872 HydrophobicContact CE1-CG1 4.11Å; F868-I872 PolarHBondContact O-N 3Å; C869-I872 PolarHBondContact O-N 3.11Å; K870-I872 VanDerWaalsContact C-N 3.32Å; K870-I872 PolarHBondContact O-N 3.35Å; I872-Y874 VanDerWaalsContact C-N 3.3Å; I872-Y874 PolarHBondContact O-N 3.22Å; I872-T875 PolarHBondContact O-N 3.42Å; I872-T875 VanDerWaalsContact O-N 3.12Å; I872-V877 HydrophobicContact CG1-CG2 3.71Å; I872-A882 HydrophobicContact CD1-CB 3.79Å; I872-A882 HydrophobicContact CG1-CB 4.35Å; I872-A882 HydrophobicContact CG2-CB 3.94Å; I872-I885 HydrophobicContact CD1-CD1 3.83Å; I872-T903 HydrophobicContact CG2-CG2 4.14Å; I872-T907 HydrophobicContact CG2-CG2 3.64Å
873	V	95.9	Very high	95.7	Very high	9 Å²	9	20.6 Å²	20.6	6%	0.055	11%	0.106	C	C	.	.	H	α-helix	trans	-74.3	-20.1	-173.6	-55.2	0	0	0	0	113.2	C869 K870 T903 K906 I910 F1252	C869-V873 WeakPolarHBondContact O-CG1 3.43Å; C869-V873 WeakPolarHBondContact O-CG2 3.39Å; C869-V873 PolarHBondContact O-N 2.96Å; K870-V873 PolarHBondContact O-N 3.06Å; V873-T903 HydrophobicContact CG1-CG2 3.97Å; V873-K906 HydrophobicContact CB-CB 3.98Å; V873-K906 HydrophobicContact CG1-CB 3.65Å; V873-K906 HydrophobicContact CG1-CG 4.36Å; V873-I910 WeakPolarHBondContact O-CD1 3.39Å; V873-F1252 HydrophobicContact CG1-CE1 4.34Å; V873-F1252 HydrophobicContact CG2-CD1 4.24Å; V873-F1252 HydrophobicContact CG2-CE1 4.3Å
874	Y	94.5	Very high	96.2	Very high	58 Å²	58	19.5 Å²	19.5	23%	0.227	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12	170.3	-69.6	-71.7	0	0	0	113.5	M796 H800 K870 I872 V876 I1257	M796-Y874 HydrophobicContact CE-CD2 3.5Å; M796-Y874 HydrophobicContact CE-CE2 4.33Å; M796-Y874 HydrophobicContact CE-CG 3.7Å; M796-Y874 HydrophobicContact SD-CD2 4.12Å; M796-Y874 HydrophobicContact SD-CG 4.39Å; H800-Y874 PolarHBondContact CE1-O 2.87Å; K870-Y874 WeakPolarHBondContact O-CD2 3.46Å; K870-Y874 PolarHBondContact O-N 3.46Å; I872-Y874 VanDerWaalsContact C-N 3.3Å; I872-Y874 PolarHBondContact O-N 3.22Å; Y874-V876 VanDerWaalsContact C-N 3.27Å; Y874-V876 PolarHBondContact O-N 3.15Å; Y874-I1257 HydrophobicContact CE2-CD1 3.55Å; Y874-I1257 VanDerWaalsContact OH-CD1 3.28Å; Y874-I1257 WeakPolarHBondContact OH-CD1 3.46Å
875	T	95.6	Very high	96.3	Very high	68 Å²	68	19.2 Å²	19.2	42%	0.417	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	39	174	57	0	0	0	0	113.9	H800 L871 I872 I910	H800-T875 PolarHBondContact CE1-O 2.73Å; H800-T875 PolarHBondContact CE1-OG1 2.83Å; L871-T875 PolarHBondContact O-N 2.72Å; I872-T875 PolarHBondContact O-N 3.42Å; I872-T875 VanDerWaalsContact O-N 3.12Å; T875-I910 HydrophobicContact CG2-CG2 4.45Å
876	V	96.6	Very high	96.4	Very high	9 Å²	9	19.2 Å²	19.2	6%	0.055	10%	0.098	C	C	.	.	S	Bend	trans	-86.9	-32.2	173.2	-170.9	0	0	0	0	110.9	L795 M796 P817 L871 Y874	L795-V876 HydrophobicContact CB-CG1 4.04Å; L795-V876 WeakPolarHBondContact O-CG1 3.35Å; M796-V876 HydrophobicContact SD-CG2 3.85Å; P817-V876 WeakPolarHBondContact CD-O 3.36Å; P817-V876 HydrophobicContact CG-CG1 4.45Å; P817-V876 VanDerWaalsContact CG-O 3.32Å; P817-V876 WeakPolarHBondContact CG-O 3.17Å; L871-V876 HydrophobicContact CB-CB 4.21Å; L871-V876 HydrophobicContact CD2-CB 3.81Å; L871-V876 HydrophobicContact CD2-CG1 3.77Å; L871-V876 HydrophobicContact CD2-CG2 4.22Å; L871-V876 PolarHBondContact O-N 3.38Å; Y874-V876 VanDerWaalsContact C-N 3.27Å; Y874-V876 PolarHBondContact O-N 3.15Å
877	V	97.1	Very high	96.5	Very high	7 Å²	7	20 Å²	20	4%	0.042	10%	0.101	C	C	.	.	S	Bend	trans	-114.1	161.2	167.7	-59.4	0	0	0	0	110.5	P817 Q822 F868 L871 I872	P817-V877 HydrophobicContact CG-CG1 4.09Å; Q822-V877 HydrophobicContact CG-CB 4.35Å; Q822-V877 HydrophobicContact CG-CG1 3.97Å; F868-V877 HydrophobicContact CZ-CG2 4.25Å; L871-V877 HydrophobicContact CB-CG1 4.05Å; L871-V877 HydrophobicContact CB-CG2 3.88Å; L871-V877 HydrophobicContact CD1-CG1 4.18Å; L871-V877 PolarHBondContact O-N 2.91Å; I872-V877 HydrophobicContact CG1-CG2 3.71Å
878	E	95.7	Very high	96.6	Very high	112 Å²	112	21.1 Å²	21.1	52%	0.523	11%	0.106	S	C	.	.			trans	-66.5	137.2	179.1	-68.9	-173.1	-176.3	0	0	112.3	N880 T881	E878-N880 WeakPolarHBondContact CB-OD1 3.22Å; E878-N880 PolarHBondContact O-N 2.88Å; E878-N880 PolarHBondContact O-OD1 3.02Å; E878-N880 PolarHBondContact OE2-ND2 3.36Å; E878-T881 PolarHBondContact O-N 3.22Å; E878-T881 VanDerWaalsContact O-N 3.14Å; E878-T881 PolarHBondContact O-OG1 3.21Å
879	M	95.7	Very high	96.5	Very high	21 Å²	21	22.3 Å²	22.3	10%	0.103	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.2	-178	-161.2	-171.7	-68.2	0	0	113.8	T907 D911 Q914 C915 T918	M879-T907 HydrophobicContact CE-CG2 4.2Å; M879-T907 HydrophobicContact CG-CG2 3.95Å; M879-T907 HydrophobicContact SD-CG2 4.06Å; M879-D911 HydrophobicContact CE-CB 4.37Å; M879-Q914 HydrophobicContact CB-CG 4.18Å; M879-Q914 HydrophobicContact CG-CG 4.48Å; M879-Q914 HydrophobicContact SD-CB 4Å; M879-Q914 HydrophobicContact SD-CG 3.78Å; M879-C915 HydrophobicContact SD-CB 4.36Å; M879-T918 WeakPolarHBondContact O-CG2 3.4Å; M879-T918 PolarHBondContact O-OG1 3.04Å
880	N	94.8	Very high	96.3	Very high	62 Å²	62	25.2 Å²	25.2	33%	0.332	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-33.8	171.7	53.5	10.8	0	0	0	112	E878 A882 A883 L921	E878-N880 WeakPolarHBondContact CB-OD1 3.22Å; E878-N880 PolarHBondContact O-N 2.88Å; E878-N880 PolarHBondContact O-OD1 3.02Å; E878-N880 PolarHBondContact OE2-ND2 3.36Å; N880-A882 PolarHBondContact O-N 3.29Å; N880-A882 VanDerWaalsContact O-N 3.14Å; N880-A883 WeakPolarHBondContact O-CB 3.5Å; N880-A883 PolarHBondContact O-N 2.98Å; N880-L921 HydrophobicContact CB-CD2 4.5Å
881	T	96.4	Very high	96.1	Very high	12 Å²	12	30.2 Å²	30.2	7%	0.074	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	176.7	59.9	0	0	0	0	112.9	L826 F868 E878 A883	L826-T881 HydrophobicContact CD2-CG2 4.29Å; F868-T881 HydrophobicContact CZ-CG2 4.43Å; E878-T881 PolarHBondContact O-N 3.22Å; E878-T881 VanDerWaalsContact O-N 3.14Å; E878-T881 PolarHBondContact O-OG1 3.21Å; T881-A883 PolarHBondContact O-N 3.09Å
882	A	97.4	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.4	176.1	0	0	0	0	0	113.6	I872 N880 I885 F886 T918	I872-A882 HydrophobicContact CD1-CB 3.79Å; I872-A882 HydrophobicContact CG1-CB 4.35Å; I872-A882 HydrophobicContact CG2-CB 3.94Å; N880-A882 PolarHBondContact O-N 3.29Å; N880-A882 VanDerWaalsContact O-N 3.14Å; A882-I885 PolarHBondContact O-N 3.06Å; A882-F886 HydrophobicContact CB-CD1 4.37Å; A882-F886 HydrophobicContact CB-CE1 3.9Å; A882-F886 HydrophobicContact CB-CE2 4.07Å; A882-F886 HydrophobicContact CB-CZ 3.73Å; A882-F886 WeakPolarHBondContact O-CB 3.14Å; A882-F886 WeakPolarHBondContact O-CD1 3.3Å; A882-F886 WeakPolarHBondContact O-CG 3.24Å; A882-F886 PolarHBondContact O-N 3.49Å; A882-T918 HydrophobicContact CB-CG2 4.04Å
883	A	97.8	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-44.9	177.6	0	0	0	0	0	111.6	N880 T881 I885 F886 K887 T918 L921 S922 Q925	N880-A883 WeakPolarHBondContact O-CB 3.5Å; N880-A883 PolarHBondContact O-N 2.98Å; T881-A883 PolarHBondContact O-N 3.09Å; A883-I885 PolarHBondContact O-N 3.12Å; A883-F886 PolarHBondContact O-N 3.23Å; A883-K887 PolarHBondContact O-N 2.64Å; A883-K887 VanDerWaalsContact O-N 3.09Å; A883-T918 HydrophobicContact CB-CG2 3.89Å; A883-T918 VanDerWaalsContact N-CG2 3.34Å; A883-L921 HydrophobicContact CB-CB 4.1Å; A883-L921 HydrophobicContact CB-CD2 3.85Å; A883-L921 HydrophobicContact CB-CG 3.81Å; A883-S922 VanDerWaalsContact CA-OG 3.24Å; A883-S922 WeakPolarHBondContact CA-OG 3.23Å; A883-S922 WeakPolarHBondContact O-CB 3.46Å; A883-S922 PolarHBondContact O-OG 3.49Å; A883-Q925 VanDerWaalsContact C-OE1 3.28Å; A883-Q925 PolarHBondContact O-OE1 3.23Å
884	D	97.7	Very high	95	Very high	27 Å²	27	41 Å²	41	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-70	-12.5	178.3	-68.8	-79.3	0	0	0	114	L826 L830 K887 Q888 Q925	L826-D884 HydrophobicContact CD1-CB 4.4Å; L826-D884 HydrophobicContact CD2-CB 4.45Å; L830-D884 HydrophobicContact CD2-CB 4.3Å; D884-K887 WeakPolarHBondContact O-CG 3.45Å; D884-K887 WeakPolarHBondContact OD1-CE 3.47Å; D884-K887 IonicContact OD1-NZ 2.7Å; D884-K887 PolarHBondContact OD1-NZ 2.72Å; D884-Q888 WeakPolarHBondContact O-CG 3.42Å; D884-Q925 PolarHBondContact OD1-NE2 3.04Å; D884-Q925 VanDerWaalsContact OD1-NE2 3.15Å; D884-Q925 PolarHBondContact OD1-OE1 3.39Å; D884-Q925 PolarHBondContact OD2-NE2 3.05Å
885	I	98.1	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-96	-45.6	173.6	-66.9	170.9	0	0	0	110.6	L826 I829 F834 L865 F868 I872 A882 A883 K887 Q888 I900	L826-I885 HydrophobicContact CD1-CD1 4.42Å; L826-I885 HydrophobicContact CD1-CG1 4.47Å; I829-I885 HydrophobicContact CG2-CD1 4.35Å; I829-I885 HydrophobicContact CG2-CG1 4.34Å; F834-I885 HydrophobicContact CE2-CG1 4.14Å; F834-I885 HydrophobicContact CZ-CG2 4.3Å; L865-I885 HydrophobicContact CD1-CD1 4.37Å; L865-I885 HydrophobicContact CD1-CG2 4.27Å; F868-I885 HydrophobicContact CD1-CD1 3.48Å; F868-I885 VanDerWaalsContact CD1-CD1 3.48Å; F868-I885 HydrophobicContact CE1-CD1 3.76Å; I872-I885 HydrophobicContact CD1-CD1 3.83Å; A882-I885 PolarHBondContact O-N 3.06Å; A883-I885 PolarHBondContact O-N 3.12Å; I885-K887 VanDerWaalsContact C-N 3.27Å; I885-K887 PolarHBondContact O-N 2.8Å; I885-Q888 VanDerWaalsContact O-CB 3.31Å; I885-Q888 WeakPolarHBondContact O-CB 3.46Å; I885-Q888 PolarHBondContact O-N 3Å; I885-I900 HydrophobicContact CG2-CG1 3.97Å; I885-I900 HydrophobicContact CG2-CG2 4.4Å
886	F	98	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-34.7	179.9	-66.2	-8.7	0	0	0	111.6	A882 A883 Q888 Y889 I900 T903 M904 T907 T918 L919 S922 F955	A882-F886 HydrophobicContact CB-CD1 4.37Å; A882-F886 HydrophobicContact CB-CE1 3.9Å; A882-F886 HydrophobicContact CB-CE2 4.07Å; A882-F886 HydrophobicContact CB-CZ 3.73Å; A882-F886 WeakPolarHBondContact O-CB 3.14Å; A882-F886 WeakPolarHBondContact O-CD1 3.3Å; A882-F886 WeakPolarHBondContact O-CG 3.24Å; A882-F886 PolarHBondContact O-N 3.49Å; A883-F886 PolarHBondContact O-N 3.23Å; F886-Q888 PolarHBondContact O-N 2.79Å; F886-Q888 VanDerWaalsContact O-N 3.15Å; F886-Y889 VanDerWaalsContact O-CB 3.22Å; F886-Y889 WeakPolarHBondContact O-CB 3.28Å; F886-Y889 PolarHBondContact O-N 2.74Å; F886-Y889 VanDerWaalsContact O-N 3.1Å; F886-I900 HydrophobicContact CD1-CG2 4.15Å; F886-T903 HydrophobicContact CE1-CG2 3.9Å; F886-T903 HydrophobicContact CZ-CG2 4.46Å; F886-M904 HydrophobicContact CB-SD 4.4Å; F886-M904 HydrophobicContact CD1-CG 3.42Å; F886-M904 VanDerWaalsContact CD1-CG 3.42Å; F886-M904 HydrophobicContact CD1-SD 4.3Å; F886-M904 HydrophobicContact CD2-CG 3.96Å; F886-M904 HydrophobicContact CE1-CB 4.29Å; F886-M904 HydrophobicContact CE1-CG 3.41Å; F886-M904 VanDerWaalsContact CE1-CG 3.41Å; F886-M904 HydrophobicContact CE2-CG 3.96Å; F886-M904 HydrophobicContact CG-CG 3.7Å; F886-M904 HydrophobicContact CG-SD 4.18Å; F886-M904 HydrophobicContact CZ-CB 4.33Å; F886-M904 HydrophobicContact CZ-CG 3.69Å; F886-T907 HydrophobicContact CZ-CG2 4.32Å; F886-T918 HydrophobicContact CD2-CG2 3.71Å; F886-T918 HydrophobicContact CE2-CG2 3.67Å; F886-L919 HydrophobicContact CB-CD2 4.44Å; F886-L919 HydrophobicContact CD2-CD2 3.7Å; F886-L919 HydrophobicContact CD2-CG 4.23Å; F886-L919 HydrophobicContact CE2-CD2 4.3Å; F886-L919 HydrophobicContact CG-CD2 4.32Å; F886-S922 WeakPolarHBondContact CB-OG 3.31Å; F886-F955 HydrophobicContact CB-CZ 4.12Å; F886-F955 WeakPolarHBondContact O-CZ 3.39Å
887	K	96.6	Very high	94.1	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.7	174.4	72.5	-175.6	-173.5	-171.1	0	113.4	A883 D884 I885 Y889 Q925 L926 E929	A883-K887 PolarHBondContact O-N 2.64Å; A883-K887 VanDerWaalsContact O-N 3.09Å; D884-K887 WeakPolarHBondContact O-CG 3.45Å; D884-K887 WeakPolarHBondContact OD1-CE 3.47Å; D884-K887 IonicContact OD1-NZ 2.7Å; D884-K887 PolarHBondContact OD1-NZ 2.72Å; I885-K887 VanDerWaalsContact C-N 3.27Å; I885-K887 PolarHBondContact O-N 2.8Å; K887-Y889 VanDerWaalsContact C-N 3.32Å; K887-Y889 PolarHBondContact O-N 3.31Å; K887-Q925 HydrophobicContact CD-CB 4.18Å; K887-L926 HydrophobicContact CB-CD1 3.84Å; K887-L926 HydrophobicContact CB-CD2 4.07Å; K887-L926 HydrophobicContact CB-CG 3.79Å; K887-L926 HydrophobicContact CD-CD2 4.36Å; K887-L926 HydrophobicContact CD-CG 4.43Å; K887-L926 HydrophobicContact CG-CD2 4.43Å; K887-E929 IonicContact NZ-OE1 3.58Å; K887-E929 PolarHBondContact NZ-OE1 2.9Å
888	Q	96.4	Very high	93.7	Very high	25 Å²	25	37.5 Å²	37.5	12%	0.117	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-80.4	-8.1	-178.8	-52.3	-62.3	-1	0	0	114.1	F834 D884 I885 F886 M890 K891 Y892 I900	F834-Q888 HydrophobicContact CD1-CB 3.8Å; F834-Q888 HydrophobicContact CD1-CG 3.7Å; F834-Q888 HydrophobicContact CD2-CG 4.14Å; F834-Q888 HydrophobicContact CE1-CB 3.49Å; F834-Q888 VanDerWaalsContact CE1-CB 3.49Å; F834-Q888 HydrophobicContact CE1-CG 3.69Å; F834-Q888 HydrophobicContact CE2-CG 4.13Å; F834-Q888 HydrophobicContact CG-CG 3.92Å; F834-Q888 HydrophobicContact CZ-CB 3.98Å; F834-Q888 HydrophobicContact CZ-CG 3.91Å; D884-Q888 WeakPolarHBondContact O-CG 3.42Å; I885-Q888 VanDerWaalsContact O-CB 3.31Å; I885-Q888 WeakPolarHBondContact O-CB 3.46Å; I885-Q888 PolarHBondContact O-N 3Å; F886-Q888 PolarHBondContact O-N 2.79Å; F886-Q888 VanDerWaalsContact O-N 3.15Å; Q888-M890 PolarHBondContact O-N 3.43Å; Q888-K891 PolarHBondContact O-N 3.08Å; Q888-K891 VanDerWaalsContact O-N 3.13Å; Q888-Y892 HydrophobicContact CB-CD2 4.09Å; Q888-Y892 PolarHBondContact O-N 3.38Å; Q888-I900 HydrophobicContact CB-CD1 4.29Å
889	Y	95.4	Very high	93.5	Very high	26 Å²	26	32.3 Å²	32.3	10%	0.102	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-52.8	-32.7	-172.7	174.9	-123.8	0	0	0	114.6	F886 K887 Y893 G897 I900 K901 M904 L951 R954 F955	F886-Y889 VanDerWaalsContact O-CB 3.22Å; F886-Y889 WeakPolarHBondContact O-CB 3.28Å; F886-Y889 PolarHBondContact O-N 2.74Å; F886-Y889 VanDerWaalsContact O-N 3.1Å; K887-Y889 VanDerWaalsContact C-N 3.32Å; K887-Y889 PolarHBondContact O-N 3.31Å; Y889-Y893 HydrophobicContact CD2-CD2 4.41Å; Y889-Y893 AromaticContact CE2-CD2 3.9Å; Y889-Y893 HydrophobicContact CE2-CD2 3.9Å; Y889-Y893 AromaticContact CE2-CE2 3.87Å; Y889-Y893 HydrophobicContact CE2-CE2 3.87Å; Y889-Y893 AromaticContact CZ-CE2 3.91Å; Y889-Y893 WeakPolarHBondContact O-CA 3.42Å; Y889-Y893 WeakPolarHBondContact O-CB 3.04Å; Y889-G897 WeakPolarHBondContact CE2-O 3.08Å; Y889-I900 HydrophobicContact CD2-CB 4.32Å; Y889-I900 HydrophobicContact CD2-CG2 4.16Å; Y889-I900 HydrophobicContact CG-CG2 4.41Å; Y889-K901 HydrophobicContact CE2-CB 3.99Å; Y889-M904 HydrophobicContact CD1-CE 3.98Å; Y889-M904 HydrophobicContact CD2-CE 3.83Å; Y889-M904 HydrophobicContact CE1-CE 4.19Å; Y889-M904 HydrophobicContact CE2-CE 4.07Å; Y889-M904 HydrophobicContact CG-CE 3.8Å; Y889-L951 HydrophobicContact CD1-CD1 3.83Å; Y889-L951 HydrophobicContact CG-CD1 4.49Å; Y889-R954 HydrophobicContact CE1-CB 4.43Å; Y889-F955 HydrophobicContact CD1-CE1 4.12Å
890	M	93	Very high	93.5	Very high	60 Å²	60	31.3 Å²	31.3	30%	0.296	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-39.9	175.3	-88.9	-177.5	61.1	0	0	114.2	Q888 Y892 E950 L951	Q888-M890 PolarHBondContact O-N 3.43Å; M890-Y892 VanDerWaalsContact C-N 3.31Å; M890-Y892 PolarHBondContact O-N 3.11Å; M890-E950 HydrophobicContact CE-CB 4.19Å; M890-E950 HydrophobicContact CE-CG 3.57Å; M890-E950 HydrophobicContact SD-CB 4.38Å; M890-E950 HydrophobicContact SD-CG 3.78Å; M890-L951 HydrophobicContact CB-CD1 4.27Å; M890-L951 HydrophobicContact CG-CD1 3.92Å; M890-L951 VanDerWaalsContact SD-CA 3.56Å; M890-L951 HydrophobicContact SD-CB 3.79Å; M890-L951 HydrophobicContact SD-CD1 4.13Å
891	K	91.9	Very high	93.4	Very high	120 Å²	120	34 Å²	34	52%	0.522	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-40.7	-178.4	-173.3	173.7	177.5	-176.7	0	111.3	E836 Q888	E836-K891 WeakPolarHBondContact OE1-CE 3.24Å; E836-K891 IonicContact OE1-NZ 3.88Å; E836-K891 PolarHBondContact OE1-NZ 3.49Å; Q888-K891 PolarHBondContact O-N 3.08Å; Q888-K891 VanDerWaalsContact O-N 3.13Å
892	Y	92.9	Very high	93.2	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.047	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	35.7	-178.3	-61.5	-86	0	0	0	113.1	F834 I835 Q888 M890 N894 D895 Y896 G897	F834-Y892 HydrophobicContact CB-CE2 4.08Å; F834-Y892 AromaticContact CD1-CD2 3.6Å; F834-Y892 HydrophobicContact CD1-CD2 3.6Å; F834-Y892 AromaticContact CD1-CE2 3.87Å; F834-Y892 HydrophobicContact CD1-CE2 3.87Å; F834-Y892 HydrophobicContact CD1-CG 4.06Å; F834-Y892 HydrophobicContact CE1-CD2 4.27Å; F834-Y892 HydrophobicContact CG-CE2 4.44Å; F834-Y892 PolarHBondContact O-OH 3.27Å; I835-Y892 VanDerWaalsContact C-OH 3.24Å; I835-Y892 WeakPolarHBondContact O-CE1 3.39Å; I835-Y892 PolarHBondContact O-OH 3.42Å; Q888-Y892 HydrophobicContact CB-CD2 4.09Å; Q888-Y892 PolarHBondContact O-N 3.38Å; M890-Y892 VanDerWaalsContact C-N 3.31Å; M890-Y892 PolarHBondContact O-N 3.11Å; Y892-N894 VanDerWaalsContact C-N 3.32Å; Y892-N894 PolarHBondContact O-N 3.23Å; Y892-D895 PolarHBondContact O-N 3.12Å; Y892-Y896 VanDerWaalsContact CB-CD2 3.46Å; Y892-Y896 HydrophobicContact CD1-CD2 4.16Å; Y892-Y896 AromaticContact CD1-CE2 3.92Å; Y892-Y896 HydrophobicContact CD1-CE2 3.92Å; Y892-Y896 AromaticContact CG-CD2 3.9Å; Y892-Y896 HydrophobicContact CG-CD2 3.9Å; Y892-Y896 HydrophobicContact CG-CE2 4.12Å; Y892-Y896 PolarHBondContact O-N 3.14Å; Y892-G897 PolarHBondContact O-N 3.31Å
893	Y	88.3	Confident	93.1	Very high	92 Å²	92	36.3 Å²	36.3	36%	0.361	17%	0.17	S	C	.	.	H	α-helix	trans	-59.2	-38.4	-173.1	-177.7	-95.7	0	0	0	113.9	Y889 G897	Y889-Y893 HydrophobicContact CD2-CD2 4.41Å; Y889-Y893 AromaticContact CE2-CD2 3.9Å; Y889-Y893 HydrophobicContact CE2-CD2 3.9Å; Y889-Y893 AromaticContact CE2-CE2 3.87Å; Y889-Y893 HydrophobicContact CE2-CE2 3.87Å; Y889-Y893 AromaticContact CZ-CE2 3.91Å; Y889-Y893 WeakPolarHBondContact O-CA 3.42Å; Y889-Y893 WeakPolarHBondContact O-CB 3.04Å; Y893-G897 VanDerWaalsContact O-CA 3.29Å; Y893-G897 WeakPolarHBondContact O-CA 3.47Å; Y893-G897 PolarHBondContact O-N 3.05Å; Y893-G897 VanDerWaalsContact O-N 3.15Å
894	N	85.1	Confident	92.9	Very high	131 Å²	131	36.5 Å²	36.5	70%	0.701	17%	0.17	S	C	*	.	H	α-helix	trans	-70.3	-34.1	-178.7	-65.5	-30.4	0	0	0	112.6	Y892	Y892-N894 VanDerWaalsContact C-N 3.32Å; Y892-N894 PolarHBondContact O-N 3.23Å
895	D	86.3	Confident	92.6	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	17%	0.17	C	C	.	.	H	α-helix	trans	-96.1	-38.8	-168.7	-67.9	-26.5	0	0	0	112.9	Q837 L858 R862 Y892 R1244	Q837-D895 PolarHBondContact NE2-OD2 3.19Å; L858-D895 HydrophobicContact CD1-CB 3.59Å; L858-D895 WeakPolarHBondContact CD2-OD1 3.48Å; R862-D895 WeakPolarHBondContact CD-O 3.4Å; R862-D895 WeakPolarHBondContact CG-O 3.46Å; R862-D895 PolarHBondContact NH1-O 3.38Å; Y892-D895 PolarHBondContact O-N 3.12Å; D895-R1244 IonicContact OD1-NH1 2.75Å
896	Y	92.6	Very high	92.4	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-130.2	-5.9	-172.5	-52	-44.2	0	0	0	113.4	V833 F834 L858 R861 R862 L865 Y892 D898 I899 I900	V833-Y896 HydrophobicContact CG1-CD1 4.41Å; V833-Y896 HydrophobicContact CG1-CD2 4.1Å; V833-Y896 HydrophobicContact CG1-CE1 3.94Å; V833-Y896 HydrophobicContact CG1-CE2 3.6Å; V833-Y896 WeakPolarHBondContact O-CE2 3.49Å; V833-Y896 PolarHBondContact O-OH 3.44Å; V833-Y896 VanDerWaalsContact O-OH 3.13Å; F834-Y896 AromaticContact CD1-CD2 3.94Å; F834-Y896 HydrophobicContact CD1-CD2 3.94Å; F834-Y896 HydrophobicContact CD1-CE2 4.13Å; F834-Y896 AromaticContact CE1-CD2 3.64Å; F834-Y896 HydrophobicContact CE1-CD2 3.64Å; F834-Y896 HydrophobicContact CE1-CE2 4.24Å; F834-Y896 HydrophobicContact CE1-CG 4.44Å; L858-Y896 HydrophobicContact CD1-CE1 3.82Å; R861-Y896 HydrophobicContact CB-CE1 4.17Å; R861-Y896 VanDerWaalsContact CB-OH 3.32Å; R861-Y896 WeakPolarHBondContact CB-OH 3.27Å; R861-Y896 WeakPolarHBondContact CD-OH 3.47Å; R861-Y896 PolarHBondContact NE-OH 3.32Å; R862-Y896 HydrophobicContact CG-CD1 3.85Å; R862-Y896 HydrophobicContact CG-CE1 3.89Å; L865-Y896 HydrophobicContact CD2-CD1 3.88Å; L865-Y896 HydrophobicContact CD2-CD2 4.37Å; L865-Y896 HydrophobicContact CD2-CG 3.69Å; Y892-Y896 VanDerWaalsContact CB-CD2 3.46Å; Y892-Y896 HydrophobicContact CD1-CD2 4.16Å; Y892-Y896 AromaticContact CD1-CE2 3.92Å; Y892-Y896 HydrophobicContact CD1-CE2 3.92Å; Y892-Y896 AromaticContact CG-CD2 3.9Å; Y892-Y896 HydrophobicContact CG-CD2 3.9Å; Y892-Y896 HydrophobicContact CG-CE2 4.12Å; Y892-Y896 PolarHBondContact O-N 3.14Å; Y896-D898 PolarHBondContact O-N 3.38Å; Y896-D898 VanDerWaalsContact O-N 3.15Å; Y896-I899 PolarHBondContact O-N 3.27Å; Y896-I899 VanDerWaalsContact O-N 3.1Å; Y896-I900 WeakPolarHBondContact O-CG1 3.31Å; Y896-I900 PolarHBondContact O-N 3.47Å
897	G	89.9	Confident	92.2	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-24.5	-170.7	0	0	0	0	0	115	Y889 Y892 Y893 K901	Y889-G897 WeakPolarHBondContact CE2-O 3.08Å; Y892-G897 PolarHBondContact O-N 3.31Å; Y893-G897 VanDerWaalsContact O-CA 3.29Å; Y893-G897 WeakPolarHBondContact O-CA 3.47Å; Y893-G897 PolarHBondContact O-N 3.05Å; Y893-G897 VanDerWaalsContact O-N 3.15Å; G897-K901 WeakPolarHBondContact O-CB 3.41Å; G897-K901 PolarHBondContact O-N 3.36Å; G897-K901 VanDerWaalsContact O-N 3.15Å
898	D	87.6	Confident	92	Very high	52 Å²	52	40.2 Å²	40.2	28%	0.278	19%	0.186	S	C	.	.	H	α-helix	trans	-73.6	-48.9	171.1	51.2	-5.4	0	0	0	112.3	R862 Y896 I900 K901 E902 K1248	R862-D898 IonicContact CZ-OD1 3.7Å; R862-D898 IonicContact CZ-OD2 2.64Å; R862-D898 IonicContact NH1-OD1 3.52Å; R862-D898 PolarHBondContact NH1-OD1 3.34Å; R862-D898 IonicContact NH1-OD2 2.66Å; R862-D898 PolarHBondContact NH1-OD2 3.39Å; R862-D898 IonicContact NH2-OD1 2.74Å; R862-D898 PolarHBondContact NH2-OD1 3.01Å; R862-D898 IonicContact NH2-OD2 3.63Å; R862-D898 PolarHBondContact NH2-OD2 2.89Å; Y896-D898 PolarHBondContact O-N 3.38Å; Y896-D898 VanDerWaalsContact O-N 3.15Å; D898-I900 PolarHBondContact O-N 3.14Å; D898-K901 PolarHBondContact O-N 3.2Å; D898-E902 PolarHBondContact O-N 2.96Å; D898-K1248 WeakPolarHBondContact OD2-CD 3.49Å; D898-K1248 IonicContact OD2-NZ 3.75Å; D898-K1248 PolarHBondContact OD2-NZ 2.92Å
899	I	90.9	Very high	91.7	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-47.1	177.7	-61.6	170.6	0	0	0	110.6	R862 L865 C869 Y896 K901 E902 T903 F1252	R862-I899 HydrophobicContact CB-CD1 3.85Å; R862-I899 HydrophobicContact CG-CD1 3.98Å; L865-I899 HydrophobicContact CD2-CB 4.45Å; L865-I899 HydrophobicContact CD2-CG2 4.14Å; L865-I899 HydrophobicContact CG-CG2 4.12Å; C869-I899 HydrophobicContact CB-CG2 4.48Å; Y896-I899 PolarHBondContact O-N 3.27Å; Y896-I899 VanDerWaalsContact O-N 3.1Å; I899-K901 VanDerWaalsContact C-N 3.35Å; I899-K901 PolarHBondContact O-N 3.48Å; I899-E902 PolarHBondContact O-N 2.81Å; I899-T903 WeakPolarHBondContact O-CB 3.46Å; I899-T903 PolarHBondContact O-N 3.47Å; I899-T903 PolarHBondContact O-OG1 3.39Å; I899-F1252 HydrophobicContact CG2-CE2 4.11Å; I899-F1252 HydrophobicContact CG2-CZ 4.04Å
900	I	96.4	Very high	91.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-40.5	178.8	-60.5	168.2	0	0	0	110.3	F834 L865 I885 F886 Q888 Y889 Y896 D898 T903 M904	F834-I900 HydrophobicContact CE1-CD1 4.17Å; F834-I900 HydrophobicContact CZ-CD1 4.33Å; L865-I900 HydrophobicContact CD2-CG1 4.24Å; I885-I900 HydrophobicContact CG2-CG1 3.97Å; I885-I900 HydrophobicContact CG2-CG2 4.4Å; F886-I900 HydrophobicContact CD1-CG2 4.15Å; Q888-I900 HydrophobicContact CB-CD1 4.29Å; Y889-I900 HydrophobicContact CD2-CB 4.32Å; Y889-I900 HydrophobicContact CD2-CG2 4.16Å; Y889-I900 HydrophobicContact CG-CG2 4.41Å; Y896-I900 WeakPolarHBondContact O-CG1 3.31Å; Y896-I900 PolarHBondContact O-N 3.47Å; D898-I900 PolarHBondContact O-N 3.14Å; I900-T903 PolarHBondContact O-N 3.13Å; I900-M904 HydrophobicContact CG2-CE 4.27Å; I900-M904 WeakPolarHBondContact O-CG 3.38Å; I900-M904 PolarHBondContact O-N 3.45Å
901	K	93.2	Very high	91.6	Very high	118 Å²	118	48.6 Å²	48.6	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-42.7	177.2	178.3	-176.7	174.3	-169.6	0	112.7	Y889 G897 D898 I899 M904 S905	Y889-K901 HydrophobicContact CE2-CB 3.99Å; G897-K901 WeakPolarHBondContact O-CB 3.41Å; G897-K901 PolarHBondContact O-N 3.36Å; G897-K901 VanDerWaalsContact O-N 3.15Å; D898-K901 PolarHBondContact O-N 3.2Å; I899-K901 VanDerWaalsContact C-N 3.35Å; I899-K901 PolarHBondContact O-N 3.48Å; K901-M904 HydrophobicContact CB-CE 4.44Å; K901-M904 PolarHBondContact O-N 2.98Å; K901-S905 WeakPolarHBondContact O-CB 3.5Å; K901-S905 PolarHBondContact O-N 3.17Å
902	E	92.3	Very high	91.6	Very high	61 Å²	61	46.9 Å²	46.9	29%	0.285	22%	0.222	S	C	.	.	H	α-helix	trans	-75	-32	178.8	-165.6	52	-148.7	0	0	111.9	D898 I899 M904 S905 K906 F1252	D898-E902 PolarHBondContact O-N 2.96Å; I899-E902 PolarHBondContact O-N 2.81Å; E902-M904 PolarHBondContact O-N 3.1Å; E902-S905 CarbonylContact O-C 3.55Å; E902-S905 WeakPolarHBondContact O-CA 3.46Å; E902-S905 VanDerWaalsContact O-CB 3.29Å; E902-S905 WeakPolarHBondContact O-CB 3.49Å; E902-S905 PolarHBondContact O-N 3.32Å; E902-S905 VanDerWaalsContact OE2-CB 3.3Å; E902-S905 WeakPolarHBondContact OE2-CB 3.44Å; E902-K906 HydrophobicContact CG-CG 4.14Å; E902-K906 VanDerWaalsContact O-CG 3.22Å; E902-K906 WeakPolarHBondContact O-CG 3.37Å; E902-K906 PolarHBondContact O-N 3.31Å; E902-K906 WeakPolarHBondContact OE1-CE 3.24Å; E902-K906 WeakPolarHBondContact OE1-CG 3.47Å; E902-F1252 HydrophobicContact CB-CD2 3.97Å; E902-F1252 HydrophobicContact CB-CE2 4.09Å; E902-F1252 HydrophobicContact CG-CB 4.31Å; E902-F1252 HydrophobicContact CG-CD2 3.91Å; E902-F1252 HydrophobicContact CG-CE2 4.49Å; E902-F1252 HydrophobicContact CG-CG 4.17Å
903	T	94.8	Very high	91.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-45.1	169.5	-51.7	0	0	0	0	111.6	C869 I872 V873 F886 I899 I900 S905 T907 F1252	C869-T903 HydrophobicContact CB-CG2 4.1Å; C869-T903 WeakPolarHBondContact CB-OG1 3.48Å; C869-T903 PolarHBondContact SG-OG1 3.42Å; C869-T903 VanDerWaalsContact SG-OG1 3.42Å; I872-T903 HydrophobicContact CG2-CG2 4.14Å; V873-T903 HydrophobicContact CG1-CG2 3.97Å; F886-T903 HydrophobicContact CE1-CG2 3.9Å; F886-T903 HydrophobicContact CZ-CG2 4.46Å; I899-T903 WeakPolarHBondContact O-CB 3.46Å; I899-T903 PolarHBondContact O-N 3.47Å; I899-T903 PolarHBondContact O-OG1 3.39Å; I900-T903 PolarHBondContact O-N 3.13Å; T903-S905 VanDerWaalsContact C-N 3.26Å; T903-S905 PolarHBondContact O-N 3.35Å; T903-T907 WeakPolarHBondContact O-CB 3.39Å; T903-T907 WeakPolarHBondContact O-CG2 3.2Å; T903-T907 PolarHBondContact O-N 3.3Å; T903-T907 PolarHBondContact O-OG1 3.48Å; T903-F1252 WeakPolarHBondContact OG1-CZ 3.38Å
904	M	93.9	Very high	91.9	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-32.9	169.9	-71.8	-172.1	-66.3	0	0	112.5	F886 Y889 I900 K901 E902 T907 R908 L919 F955	F886-M904 HydrophobicContact CB-SD 4.4Å; F886-M904 HydrophobicContact CD1-CG 3.42Å; F886-M904 VanDerWaalsContact CD1-CG 3.42Å; F886-M904 HydrophobicContact CD1-SD 4.3Å; F886-M904 HydrophobicContact CD2-CG 3.96Å; F886-M904 HydrophobicContact CE1-CB 4.29Å; F886-M904 HydrophobicContact CE1-CG 3.41Å; F886-M904 VanDerWaalsContact CE1-CG 3.41Å; F886-M904 HydrophobicContact CE2-CG 3.96Å; F886-M904 HydrophobicContact CG-CG 3.7Å; F886-M904 HydrophobicContact CG-SD 4.18Å; F886-M904 HydrophobicContact CZ-CB 4.33Å; F886-M904 HydrophobicContact CZ-CG 3.69Å; Y889-M904 HydrophobicContact CD1-CE 3.98Å; Y889-M904 HydrophobicContact CD2-CE 3.83Å; Y889-M904 HydrophobicContact CE1-CE 4.19Å; Y889-M904 HydrophobicContact CE2-CE 4.07Å; Y889-M904 HydrophobicContact CG-CE 3.8Å; I900-M904 HydrophobicContact CG2-CE 4.27Å; I900-M904 WeakPolarHBondContact O-CG 3.38Å; I900-M904 PolarHBondContact O-N 3.45Å; K901-M904 HydrophobicContact CB-CE 4.44Å; K901-M904 PolarHBondContact O-N 2.98Å; E902-M904 PolarHBondContact O-N 3.1Å; M904-T907 WeakPolarHBondContact CA-OG1 3.19Å; M904-T907 PolarHBondContact O-OG1 3.1Å; M904-R908 WeakPolarHBondContact O-CB 3.29Å; M904-R908 PolarHBondContact O-N 3.25Å; M904-L919 HydrophobicContact CG-CD2 4.24Å; M904-L919 HydrophobicContact SD-CD2 3.66Å; M904-F955 HydrophobicContact CE-CE1 4.33Å; M904-F955 HydrophobicContact SD-CD1 4.08Å; M904-F955 HydrophobicContact SD-CE1 3.61Å; M904-F955 HydrophobicContact SD-CZ 4.35Å
905	S	91.5	Very high	92.4	Very high	20 Å²	20	41.5 Å²	41.5	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-71.6	-45.5	179.3	-160.8	0	0	0	0	112.5	K901 E902 T903 R908 Q909	K901-S905 WeakPolarHBondContact O-CB 3.5Å; K901-S905 PolarHBondContact O-N 3.17Å; E902-S905 CarbonylContact O-C 3.55Å; E902-S905 WeakPolarHBondContact O-CA 3.46Å; E902-S905 VanDerWaalsContact O-CB 3.29Å; E902-S905 WeakPolarHBondContact O-CB 3.49Å; E902-S905 PolarHBondContact O-N 3.32Å; E902-S905 VanDerWaalsContact OE2-CB 3.3Å; E902-S905 WeakPolarHBondContact OE2-CB 3.44Å; T903-S905 VanDerWaalsContact C-N 3.26Å; T903-S905 PolarHBondContact O-N 3.35Å; S905-R908 PolarHBondContact OG-NH2 2.59Å; S905-R908 VanDerWaalsContact OG-NH2 3.14Å; S905-Q909 VanDerWaalsContact O-CG 3.28Å; S905-Q909 WeakPolarHBondContact O-CG 3.42Å; S905-Q909 PolarHBondContact O-N 3.21Å; S905-Q909 VanDerWaalsContact O-N 3.14Å; S905-Q909 PolarHBondContact O-NE2 3.32Å; S905-Q909 PolarHBondContact OG-NE2 2.9Å
906	K	92.6	Very high	92.8	Very high	50 Å²	50	40.9 Å²	40.9	22%	0.217	19%	0.194	C	C	.	.	H	α-helix	trans	-71.6	-46.2	-178.9	-60.4	-97.4	175.7	159.1	0	110.8	V873 E902 R908 Q909 I910 F1252	V873-K906 HydrophobicContact CB-CB 3.98Å; V873-K906 HydrophobicContact CG1-CB 3.65Å; V873-K906 HydrophobicContact CG1-CG 4.36Å; E902-K906 HydrophobicContact CG-CG 4.14Å; E902-K906 VanDerWaalsContact O-CG 3.22Å; E902-K906 WeakPolarHBondContact O-CG 3.37Å; E902-K906 PolarHBondContact O-N 3.31Å; E902-K906 WeakPolarHBondContact OE1-CE 3.24Å; E902-K906 WeakPolarHBondContact OE1-CG 3.47Å; K906-R908 VanDerWaalsContact C-N 3.32Å; K906-R908 PolarHBondContact O-N 3.08Å; K906-Q909 WeakPolarHBondContact O-CA 3.35Å; K906-Q909 WeakPolarHBondContact O-CB 3.37Å; K906-Q909 PolarHBondContact O-N 3.09Å; K906-I910 WeakPolarHBondContact O-CD1 3.19Å; K906-I910 WeakPolarHBondContact O-CG1 3.49Å; K906-I910 PolarHBondContact O-N 3.5Å; K906-F1252 PolarHBondContact NZ-O 2.84Å
907	T	94.1	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.2	-43.5	173.6	49.7	0	0	0	0	112.2	I872 M879 F886 T903 M904 Q909 I910 D911 C915	I872-T907 HydrophobicContact CG2-CG2 3.64Å; M879-T907 HydrophobicContact CE-CG2 4.2Å; M879-T907 HydrophobicContact CG-CG2 3.95Å; M879-T907 HydrophobicContact SD-CG2 4.06Å; F886-T907 HydrophobicContact CZ-CG2 4.32Å; T903-T907 WeakPolarHBondContact O-CB 3.39Å; T903-T907 WeakPolarHBondContact O-CG2 3.2Å; T903-T907 PolarHBondContact O-N 3.3Å; T903-T907 PolarHBondContact O-OG1 3.48Å; M904-T907 WeakPolarHBondContact CA-OG1 3.19Å; M904-T907 PolarHBondContact O-OG1 3.1Å; T907-Q909 VanDerWaalsContact C-N 3.29Å; T907-Q909 PolarHBondContact O-N 2.98Å; T907-I910 PolarHBondContact O-N 2.91Å; T907-D911 CarbonylContact O-C 3.54Å; T907-D911 PolarHBondContact O-N 3.4Å; T907-C915 PolarHBondContact OG1-SG 3.48Å
908	R	92.1	Very high	93.3	Very high	54 Å²	54	43.5 Å²	43.5	20%	0.204	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-25.5	174.1	-170.1	-175.1	65	-108.7	-10.9	114	M904 S905 K906 K912 C915 T958	M904-R908 WeakPolarHBondContact O-CB 3.29Å; M904-R908 PolarHBondContact O-N 3.25Å; S905-R908 PolarHBondContact OG-NH2 2.59Å; S905-R908 VanDerWaalsContact OG-NH2 3.14Å; K906-R908 VanDerWaalsContact C-N 3.32Å; K906-R908 PolarHBondContact O-N 3.08Å; R908-K912 HydrophobicContact CG-CG 4.3Å; R908-K912 WeakPolarHBondContact O-CG 3.31Å; R908-C915 HydrophobicContact CB-CB 4.24Å; R908-T958 PolarHBondContact NE-O 3.4Å
909	Q	90.9	Very high	93.7	Very high	129 Å²	129	41 Å²	41	60%	0.603	19%	0.192	S	C	*	.	H	α-helix	trans	-76.7	-34.2	174.1	-74.2	166	67.9	0	0	111.7	S905 K906 T907	S905-Q909 VanDerWaalsContact O-CG 3.28Å; S905-Q909 WeakPolarHBondContact O-CG 3.42Å; S905-Q909 PolarHBondContact O-N 3.21Å; S905-Q909 VanDerWaalsContact O-N 3.14Å; S905-Q909 PolarHBondContact O-NE2 3.32Å; S905-Q909 PolarHBondContact OG-NE2 2.9Å; K906-Q909 WeakPolarHBondContact O-CA 3.35Å; K906-Q909 WeakPolarHBondContact O-CB 3.37Å; K906-Q909 PolarHBondContact O-N 3.09Å; T907-Q909 VanDerWaalsContact C-N 3.29Å; T907-Q909 PolarHBondContact O-N 2.98Å
910	I	92.2	Very high	94	Very high	91 Å²	91	40.9 Å²	40.9	47%	0.467	19%	0.192	S	C	.	.	H	α-helix	trans	-76.9	-57.7	179.3	-62.8	155.4	0	0	0	110.7	V873 T875 K906 T907	V873-I910 WeakPolarHBondContact O-CD1 3.39Å; T875-I910 HydrophobicContact CG2-CG2 4.45Å; K906-I910 WeakPolarHBondContact O-CD1 3.19Å; K906-I910 WeakPolarHBondContact O-CG1 3.49Å; K906-I910 PolarHBondContact O-N 3.5Å; T907-I910 PolarHBondContact O-N 2.91Å
911	D	93.5	Very high	94.1	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.364	21%	0.207	S	C	.	.			trans	-141.3	109.1	174.3	-173.4	-19.8	0	0	0	110.6	M879 T907 I913 Q914 C915	M879-D911 HydrophobicContact CE-CB 4.37Å; T907-D911 CarbonylContact O-C 3.54Å; T907-D911 PolarHBondContact O-N 3.4Å; D911-I913 WeakPolarHBondContact OD1-CA 3.36Å; D911-I913 WeakPolarHBondContact OD1-CB 3.27Å; D911-I913 PolarHBondContact OD1-N 3.03Å; D911-Q914 HydrophobicContact CB-CB 3.99Å; D911-Q914 PolarHBondContact OD1-N 2.71Å; D911-Q914 WeakPolarHBondContact OD2-CB 3.39Å; D911-C915 WeakPolarHBondContact O-CB 3.19Å; D911-C915 PolarHBondContact O-N 2.88Å
912	K	92.2	Very high	94.3	Very high	83 Å²	83	38.1 Å²	38.1	36%	0.361	18%	0.182	S	C	.	.	H	α-helix	trans	-65.1	-36.8	177.2	-65.5	172.5	-178.2	170	0	113.1	R908 A916 K965 A969	R908-K912 HydrophobicContact CG-CG 4.3Å; R908-K912 WeakPolarHBondContact O-CG 3.31Å; K912-A916 VanDerWaalsContact O-CB 3.31Å; K912-A916 WeakPolarHBondContact O-CB 3.37Å; K912-A916 PolarHBondContact O-N 3.16Å; K912-A916 VanDerWaalsContact O-N 3.09Å; K912-K965 WeakPolarHBondContact CD-O 3.37Å; K912-K965 PolarHBondContact NZ-O 3.38Å; K912-A969 HydrophobicContact CB-CB 4.02Å; K912-A969 VanDerWaalsContact O-CB 3.26Å; K912-A969 WeakPolarHBondContact O-CB 3.23Å
913	I	93.5	Very high	94.6	Very high	51 Å²	51	35.2 Å²	35.2	26%	0.262	17%	0.169	S	C	.	.	H	α-helix	trans	-75.7	-49.2	-175.4	-59.1	179.9	0	0	0	108.6	D911 A916 K917 E968 A969 M972	D911-I913 WeakPolarHBondContact OD1-CA 3.36Å; D911-I913 WeakPolarHBondContact OD1-CB 3.27Å; D911-I913 PolarHBondContact OD1-N 3.03Å; I913-A916 PolarHBondContact O-N 2.92Å; I913-A916 VanDerWaalsContact O-N 3.17Å; I913-K917 WeakPolarHBondContact O-CG 3.35Å; I913-K917 PolarHBondContact O-N 2.6Å; I913-E968 HydrophobicContact CD1-CB 4.28Å; I913-A969 HydrophobicContact CG1-CB 4.2Å; I913-M972 HydrophobicContact CG2-CB 4.06Å; I913-M972 HydrophobicContact CG2-CE 4.22Å; I913-M972 HydrophobicContact CG2-CG 3.91Å
914	Q	94.6	Very high	94.7	Very high	71 Å²	71	36.5 Å²	36.5	33%	0.332	18%	0.175	S	C	.	.	H	α-helix	trans	-65.5	-40	177.5	-169.7	64.7	6.9	0	0	111.8	M879 D911 A916 K917 T918	M879-Q914 HydrophobicContact CB-CG 4.18Å; M879-Q914 HydrophobicContact CG-CG 4.48Å; M879-Q914 HydrophobicContact SD-CB 4Å; M879-Q914 HydrophobicContact SD-CG 3.78Å; D911-Q914 HydrophobicContact CB-CB 3.99Å; D911-Q914 PolarHBondContact OD1-N 2.71Å; D911-Q914 WeakPolarHBondContact OD2-CB 3.39Å; Q914-A916 VanDerWaalsContact C-N 3.31Å; Q914-A916 PolarHBondContact O-N 3.39Å; Q914-K917 WeakPolarHBondContact O-CB 3.34Å; Q914-K917 PolarHBondContact O-N 2.78Å; Q914-K917 VanDerWaalsContact O-N 3.12Å; Q914-T918 PolarHBondContact O-N 2.91Å; Q914-T918 PolarHBondContact O-OG1 2.63Å
915	C	94.8	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-43.2	171.5	-178.4	0	0	0	0	111.7	M879 T907 R908 D911 K917 T918 L919	M879-C915 HydrophobicContact SD-CB 4.36Å; T907-C915 PolarHBondContact OG1-SG 3.48Å; R908-C915 HydrophobicContact CB-CB 4.24Å; D911-C915 WeakPolarHBondContact O-CB 3.19Å; D911-C915 PolarHBondContact O-N 2.88Å; C915-K917 PolarHBondContact O-N 3.13Å; C915-T918 PolarHBondContact O-N 2.89Å; C915-L919 WeakPolarHBondContact O-CB 3.46Å; C915-L919 VanDerWaalsContact O-CG 3.28Å; C915-L919 WeakPolarHBondContact O-CG 3.43Å; C915-L919 PolarHBondContact O-N 3.48Å
916	A	94.7	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-32.8	176.3	0	0	0	0	0	113.4	K912 I913 Q914 I920 F959 A969 L973	K912-A916 VanDerWaalsContact O-CB 3.31Å; K912-A916 WeakPolarHBondContact O-CB 3.37Å; K912-A916 PolarHBondContact O-N 3.16Å; K912-A916 VanDerWaalsContact O-N 3.09Å; I913-A916 PolarHBondContact O-N 2.92Å; I913-A916 VanDerWaalsContact O-N 3.17Å; Q914-A916 VanDerWaalsContact C-N 3.31Å; Q914-A916 PolarHBondContact O-N 3.39Å; A916-I920 PolarHBondContact O-N 3.38Å; A916-F959 HydrophobicContact CB-CE1 3.97Å; A916-F959 HydrophobicContact CB-CZ 3.8Å; A916-A969 HydrophobicContact CB-CB 3.93Å; A916-L973 HydrophobicContact CB-CB 4.25Å; A916-L973 HydrophobicContact CB-CD1 4.39Å
917	K	96.1	Very high	95.3	Very high	57 Å²	57	36.3 Å²	36.3	25%	0.248	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-45.8	170.3	-69.9	-172.7	162.8	-73.2	0	111.7	I913 Q914 C915 I920 L921 M972 D976	I913-K917 WeakPolarHBondContact O-CG 3.35Å; I913-K917 PolarHBondContact O-N 2.6Å; Q914-K917 WeakPolarHBondContact O-CB 3.34Å; Q914-K917 PolarHBondContact O-N 2.78Å; Q914-K917 VanDerWaalsContact O-N 3.12Å; C915-K917 PolarHBondContact O-N 3.13Å; K917-I920 VanDerWaalsContact O-CG2 3.3Å; K917-I920 WeakPolarHBondContact O-CG2 3.4Å; K917-I920 PolarHBondContact O-N 3.04Å; K917-L921 WeakPolarHBondContact O-CB 3.48Å; K917-L921 PolarHBondContact O-N 3.24Å; K917-M972 HydrophobicContact CD-CG 4.47Å; K917-M972 HydrophobicContact CG-CG 4.19Å; K917-D976 WeakPolarHBondContact CG-OD2 3.29Å; K917-D976 IonicContact NZ-OD1 3.46Å; K917-D976 PolarHBondContact NZ-OD1 2.94Å; K917-D976 IonicContact NZ-OD2 2.83Å; K917-D976 PolarHBondContact NZ-OD2 3.45Å
918	T	97	Very high	95.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-43.1	175.6	-58.6	0	0	0	0	111.7	M879 A882 A883 F886 Q914 C915 I920 L921 S922	M879-T918 WeakPolarHBondContact O-CG2 3.4Å; M879-T918 PolarHBondContact O-OG1 3.04Å; A882-T918 HydrophobicContact CB-CG2 4.04Å; A883-T918 HydrophobicContact CB-CG2 3.89Å; A883-T918 VanDerWaalsContact N-CG2 3.34Å; F886-T918 HydrophobicContact CD2-CG2 3.71Å; F886-T918 HydrophobicContact CE2-CG2 3.67Å; Q914-T918 PolarHBondContact O-N 2.91Å; Q914-T918 PolarHBondContact O-OG1 2.63Å; C915-T918 PolarHBondContact O-N 2.89Å; T918-I920 VanDerWaalsContact C-N 3.35Å; T918-I920 PolarHBondContact O-N 3.27Å; T918-L921 WeakPolarHBondContact O-CB 3.43Å; T918-L921 PolarHBondContact O-N 3.16Å; T918-S922 PolarHBondContact O-N 3.26Å; T918-S922 PolarHBondContact O-OG 3.09Å; T918-S922 VanDerWaalsContact O-OG 3.07Å
919	L	96.7	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-36.9	178.3	-72.9	169.1	0	0	0	113.2	F886 M904 C915 F955 F959	F886-L919 HydrophobicContact CB-CD2 4.44Å; F886-L919 HydrophobicContact CD2-CD2 3.7Å; F886-L919 HydrophobicContact CD2-CG 4.23Å; F886-L919 HydrophobicContact CE2-CD2 4.3Å; F886-L919 HydrophobicContact CG-CD2 4.32Å; M904-L919 HydrophobicContact CG-CD2 4.24Å; M904-L919 HydrophobicContact SD-CD2 3.66Å; C915-L919 WeakPolarHBondContact O-CB 3.46Å; C915-L919 VanDerWaalsContact O-CG 3.28Å; C915-L919 WeakPolarHBondContact O-CG 3.43Å; C915-L919 PolarHBondContact O-N 3.48Å; L919-F955 HydrophobicContact CB-CD2 4.15Å; L919-F955 HydrophobicContact CB-CE2 4.45Å; L919-F955 HydrophobicContact CD2-CD1 3.95Å; L919-F955 HydrophobicContact CD2-CD2 3.78Å; L919-F955 HydrophobicContact CD2-CE1 3.93Å; L919-F955 HydrophobicContact CD2-CE2 3.77Å; L919-F955 HydrophobicContact CD2-CG 3.88Å; L919-F955 HydrophobicContact CD2-CZ 3.84Å; L919-F959 HydrophobicContact CD1-CZ 4.24Å
920	I	97.3	Very high	95.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-77.5	-33.1	175.1	-160.9	64.6	0	0	0	111.7	A916 K917 T918 S922 L923 Q924 L973 D976 F999 L1003 F1006	A916-I920 PolarHBondContact O-N 3.38Å; K917-I920 VanDerWaalsContact O-CG2 3.3Å; K917-I920 WeakPolarHBondContact O-CG2 3.4Å; K917-I920 PolarHBondContact O-N 3.04Å; T918-I920 VanDerWaalsContact C-N 3.35Å; T918-I920 PolarHBondContact O-N 3.27Å; I920-S922 VanDerWaalsContact C-N 3.34Å; I920-S922 PolarHBondContact O-N 2.9Å; I920-L923 HydrophobicContact CD1-CD1 4.06Å; I920-L923 PolarHBondContact O-N 3.15Å; I920-L923 VanDerWaalsContact O-N 3.17Å; I920-Q924 VanDerWaalsContact O-CG 3.29Å; I920-Q924 WeakPolarHBondContact O-CG 3.38Å; I920-Q924 PolarHBondContact O-N 3.03Å; I920-L973 HydrophobicContact CB-CD1 4.3Å; I920-L973 HydrophobicContact CB-CG 4.02Å; I920-L973 HydrophobicContact CD1-CD2 4.42Å; I920-L973 HydrophobicContact CD1-CG 4.28Å; I920-L973 HydrophobicContact CG1-CG 4.33Å; I920-D976 HydrophobicContact CG2-CB 3.97Å; I920-F999 HydrophobicContact CD1-CE1 3.79Å; I920-F999 HydrophobicContact CD1-CZ 3.63Å; I920-F999 HydrophobicContact CG1-CE1 4.1Å; I920-F999 HydrophobicContact CG1-CZ 4.05Å; I920-L1003 HydrophobicContact CD1-CD1 3.91Å; I920-F1006 HydrophobicContact CD1-CE2 4.37Å
921	L	97.8	Very high	95.8	Very high	60 Å²	60	30.9 Å²	30.9	31%	0.314	15%	0.151	S	C	.	.	H	α-helix	trans	-60.1	-41	171.9	-178.5	59.8	0	0	0	111.8	N880 A883 K917 T918 L923 Q924 Q925	N880-L921 HydrophobicContact CB-CD2 4.5Å; A883-L921 HydrophobicContact CB-CB 4.1Å; A883-L921 HydrophobicContact CB-CD2 3.85Å; A883-L921 HydrophobicContact CB-CG 3.81Å; K917-L921 WeakPolarHBondContact O-CB 3.48Å; K917-L921 PolarHBondContact O-N 3.24Å; T918-L921 WeakPolarHBondContact O-CB 3.43Å; T918-L921 PolarHBondContact O-N 3.16Å; L921-L923 VanDerWaalsContact C-N 3.28Å; L921-L923 PolarHBondContact O-N 3.33Å; L921-Q924 WeakPolarHBondContact O-CB 3.39Å; L921-Q924 PolarHBondContact O-N 3.29Å; L921-Q924 VanDerWaalsContact O-N 3.13Å; L921-Q925 WeakPolarHBondContact O-CG 3.43Å; L921-Q925 PolarHBondContact O-N 3.16Å
922	S	98.1	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-54.7	-42.5	172.4	-58.7	0	0	0	0	113.1	A883 F886 T918 I920 L926	A883-S922 VanDerWaalsContact CA-OG 3.24Å; A883-S922 WeakPolarHBondContact CA-OG 3.23Å; A883-S922 WeakPolarHBondContact O-CB 3.46Å; A883-S922 PolarHBondContact O-OG 3.49Å; F886-S922 WeakPolarHBondContact CB-OG 3.31Å; T918-S922 PolarHBondContact O-N 3.26Å; T918-S922 PolarHBondContact O-OG 3.09Å; T918-S922 VanDerWaalsContact O-OG 3.07Å; I920-S922 VanDerWaalsContact C-N 3.34Å; I920-S922 PolarHBondContact O-N 2.9Å; S922-L926 WeakPolarHBondContact O-CG 3.41Å; S922-L926 PolarHBondContact O-N 3.1Å
923	L	98	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-74.2	-33.2	179.1	-65.1	169.5	0	0	0	111.5	I920 L921 F927 I948 L951 A952 F955 F999 I1002 F1006	I920-L923 HydrophobicContact CD1-CD1 4.06Å; I920-L923 PolarHBondContact O-N 3.15Å; I920-L923 VanDerWaalsContact O-N 3.17Å; L921-L923 VanDerWaalsContact C-N 3.28Å; L921-L923 PolarHBondContact O-N 3.33Å; L923-F927 VanDerWaalsContact O-CB 3.29Å; L923-F927 WeakPolarHBondContact O-CB 3.41Å; L923-F927 PolarHBondContact O-N 2.93Å; L923-I948 HydrophobicContact CD2-CG2 3.86Å; L923-L951 HydrophobicContact CD2-CB 4.4Å; L923-L951 HydrophobicContact CD2-CD2 4.07Å; L923-L951 HydrophobicContact CD2-CG 4.16Å; L923-A952 HydrophobicContact CD1-CB 3.66Å; L923-A952 HydrophobicContact CD2-CB 4.05Å; L923-F955 HydrophobicContact CD1-CD2 3.98Å; L923-F955 HydrophobicContact CD1-CE2 4.47Å; L923-F955 HydrophobicContact CD2-CD2 4.34Å; L923-F955 HydrophobicContact CD2-CE2 4.25Å; L923-F955 HydrophobicContact CG-CD2 4.1Å; L923-F955 HydrophobicContact CG-CE2 4.1Å; L923-F999 HydrophobicContact CB-CE2 4.01Å; L923-F999 HydrophobicContact CB-CZ 4.04Å; L923-I1002 HydrophobicContact CD1-CG2 4.23Å; L923-I1002 HydrophobicContact CD2-CG2 4.5Å; L923-F1006 HydrophobicContact CD1-CE2 3.65Å; L923-F1006 HydrophobicContact CD1-CZ 3.71Å
924	Q	97.8	Very high	95.6	Very high	27 Å²	27	40.6 Å²	40.6	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-38.7	173.1	-68.3	172.2	14.1	0	0	111.5	I920 L921 F927 N928 D976 F980 F999	I920-Q924 VanDerWaalsContact O-CG 3.29Å; I920-Q924 WeakPolarHBondContact O-CG 3.38Å; I920-Q924 PolarHBondContact O-N 3.03Å; L921-Q924 WeakPolarHBondContact O-CB 3.39Å; L921-Q924 PolarHBondContact O-N 3.29Å; L921-Q924 VanDerWaalsContact O-N 3.13Å; Q924-F927 PolarHBondContact O-N 3.47Å; Q924-N928 PolarHBondContact O-N 3.07Å; Q924-N928 PolarHBondContact O-ND2 3.46Å; Q924-D976 PolarHBondContact NE2-O 3.02Å; Q924-F980 HydrophobicContact CB-CD2 4.01Å; Q924-F980 HydrophobicContact CB-CE1 4.36Å; Q924-F980 HydrophobicContact CB-CE2 3.79Å; Q924-F980 HydrophobicContact CB-CG 4.39Å; Q924-F980 HydrophobicContact CB-CZ 3.97Å; Q924-F980 HydrophobicContact CG-CB 4.17Å; Q924-F980 HydrophobicContact CG-CD1 3.8Å; Q924-F980 HydrophobicContact CG-CD2 3.65Å; Q924-F980 HydrophobicContact CG-CE1 4.05Å; Q924-F980 HydrophobicContact CG-CE2 3.92Å; Q924-F980 HydrophobicContact CG-CG 3.58Å; Q924-F980 HydrophobicContact CG-CZ 4.1Å; Q924-F999 HydrophobicContact CG-CE1 4.1Å; Q924-F999 HydrophobicContact CG-CE2 4.05Å; Q924-F999 HydrophobicContact CG-CZ 3.6Å
925	Q	97.1	Very high	95.4	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-56.2	173.8	-74.3	171.2	-31.1	0	0	111.2	A883 D884 K887 L921 F927 N928 E929	A883-Q925 VanDerWaalsContact C-OE1 3.28Å; A883-Q925 PolarHBondContact O-OE1 3.23Å; D884-Q925 PolarHBondContact OD1-NE2 3.04Å; D884-Q925 VanDerWaalsContact OD1-NE2 3.15Å; D884-Q925 PolarHBondContact OD1-OE1 3.39Å; D884-Q925 PolarHBondContact OD2-NE2 3.05Å; K887-Q925 HydrophobicContact CD-CB 4.18Å; L921-Q925 WeakPolarHBondContact O-CG 3.43Å; L921-Q925 PolarHBondContact O-N 3.16Å; Q925-F927 VanDerWaalsContact C-N 3.25Å; Q925-F927 PolarHBondContact O-N 3.06Å; Q925-N928 WeakPolarHBondContact O-CB 3.26Å; Q925-N928 PolarHBondContact O-N 3.37Å; Q925-E929 WeakPolarHBondContact O-CG 3.36Å; Q925-E929 PolarHBondContact O-N 3.26Å
926	L	96.8	Very high	95	Very high	31 Å²	31	44.2 Å²	44.2	16%	0.162	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-37.9	176.6	-68.6	168.2	0	0	0	113.3	K887 S922 E929 M930 I948 L951	K887-L926 HydrophobicContact CB-CD1 3.84Å; K887-L926 HydrophobicContact CB-CD2 4.07Å; K887-L926 HydrophobicContact CB-CG 3.79Å; K887-L926 HydrophobicContact CD-CD2 4.36Å; K887-L926 HydrophobicContact CD-CG 4.43Å; K887-L926 HydrophobicContact CG-CD2 4.43Å; S922-L926 WeakPolarHBondContact O-CG 3.41Å; S922-L926 PolarHBondContact O-N 3.1Å; L926-E929 PolarHBondContact O-N 3.03Å; L926-M930 WeakPolarHBondContact O-CB 3.33Å; L926-M930 PolarHBondContact O-N 3.05Å; L926-I948 HydrophobicContact CB-CD1 3.85Å; L926-I948 HydrophobicContact CB-CG1 3.91Å; L926-I948 HydrophobicContact CB-CG2 4.25Å; L926-I948 HydrophobicContact CD1-CG1 4.35Å; L926-I948 HydrophobicContact CD1-CG2 4.39Å; L926-L951 HydrophobicContact CD1-CD2 3.52Å
927	F	96.7	Very high	94.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-36.9	177.3	-176.4	-92.7	0	0	0	112.2	L923 Q924 Q925 M930 I931 F938 F945 F980 N996 A998 F999 I1002	L923-F927 VanDerWaalsContact O-CB 3.29Å; L923-F927 WeakPolarHBondContact O-CB 3.41Å; L923-F927 PolarHBondContact O-N 2.93Å; Q924-F927 PolarHBondContact O-N 3.47Å; Q925-F927 VanDerWaalsContact C-N 3.25Å; Q925-F927 PolarHBondContact O-N 3.06Å; F927-M930 HydrophobicContact CD2-CE 3.78Å; F927-M930 HydrophobicContact CE2-CE 4.04Å; F927-M930 HydrophobicContact CG-CE 4.39Å; F927-I931 HydrophobicContact CD1-CD1 3.63Å; F927-I931 HydrophobicContact CE1-CD1 3.26Å; F927-I931 HydrophobicContact CG-CD1 4.46Å; F927-I931 HydrophobicContact CZ-CD1 3.8Å; F927-I931 WeakPolarHBondContact O-CG1 3.39Å; F927-I931 PolarHBondContact O-N 3.3Å; F927-F938 HydrophobicContact CE2-CE1 4.27Å; F927-F938 AromaticContact CE2-CZ 3.81Å; F927-F938 HydrophobicContact CE2-CZ 3.81Å; F927-F938 HydrophobicContact CZ-CE1 4.31Å; F927-F938 HydrophobicContact CZ-CZ 4.23Å; F927-F945 HydrophobicContact CD2-CE2 4.27Å; F927-F945 HydrophobicContact CE2-CE2 4.07Å; F927-F980 AromaticContact CD1-CE1 3.55Å; F927-F980 HydrophobicContact CD1-CE1 3.55Å; F927-F980 AromaticContact CD1-CZ 3.75Å; F927-F980 HydrophobicContact CD1-CZ 3.75Å; F927-F980 AromaticContact CE1-CE1 3.91Å; F927-F980 HydrophobicContact CE1-CE1 3.91Å; F927-F980 HydrophobicContact CE1-CZ 4.32Å; F927-F980 HydrophobicContact CG-CE1 4.31Å; F927-N996 HydrophobicContact CE1-CB 4.03Å; F927-A998 HydrophobicContact CE2-CB 4.07Å; F927-A998 HydrophobicContact CZ-CB 4.18Å; F927-F999 HydrophobicContact CB-CD2 3.96Å; F927-F999 HydrophobicContact CB-CE2 4.24Å; F927-F999 HydrophobicContact CD1-CD2 4.27Å; F927-F999 HydrophobicContact CD2-CB 4.38Å; F927-F999 AromaticContact CD2-CD2 3.89Å; F927-F999 HydrophobicContact CD2-CD2 3.89Å; F927-F999 HydrophobicContact CE1-CB 4.29Å; F927-F999 HydrophobicContact CE2-CB 4.07Å; F927-F999 HydrophobicContact CE2-CD2 4.43Å; F927-F999 AromaticContact CG-CD2 3.79Å; F927-F999 HydrophobicContact CG-CD2 3.79Å; F927-F999 HydrophobicContact CZ-CB 4.02Å; F927-I1002 HydrophobicContact CD2-CD1 3.8Å; F927-I1002 HydrophobicContact CE2-CD1 4.45Å
928	N	96.6	Very high	94.1	Very high	71 Å²	71	50.5 Å²	50.5	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-71.1	-39.2	173.5	-66.4	-35.2	0	0	0	112	Q924 Q925 I931 Q932 F980	Q924-N928 PolarHBondContact O-N 3.07Å; Q924-N928 PolarHBondContact O-ND2 3.46Å; Q925-N928 WeakPolarHBondContact O-CB 3.26Å; Q925-N928 PolarHBondContact O-N 3.37Å; N928-I931 CarbonylContact O-C 3.56Å; N928-I931 PolarHBondContact O-N 3.12Å; N928-Q932 WeakPolarHBondContact O-CB 3.43Å; N928-Q932 PolarHBondContact O-N 2.98Å; N928-F980 WeakPolarHBondContact OD1-CZ 3.35Å
929	E	94.9	Very high	93.7	Very high	70 Å²	70	54.8 Å²	54.8	33%	0.327	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-50.3	176.3	-71.5	157.2	-152.8	0	0	110.6	K887 Q925 L926 I931 Q932 E933	K887-E929 IonicContact NZ-OE1 3.58Å; K887-E929 PolarHBondContact NZ-OE1 2.9Å; Q925-E929 WeakPolarHBondContact O-CG 3.36Å; Q925-E929 PolarHBondContact O-N 3.26Å; L926-E929 PolarHBondContact O-N 3.03Å; E929-I931 VanDerWaalsContact C-N 3.3Å; E929-I931 PolarHBondContact O-N 3.16Å; E929-Q932 WeakPolarHBondContact O-CB 3.48Å; E929-Q932 PolarHBondContact O-N 3.18Å; E929-E933 PolarHBondContact O-N 2.88Å; E929-E933 VanDerWaalsContact O-N 3.09Å
930	M	95.1	Very high	93.3	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-38.9	172.6	177.9	-166.4	67.5	0	0	112.8	L926 F927 N934 F938 T944 F945 I948	L926-M930 WeakPolarHBondContact O-CB 3.33Å; L926-M930 PolarHBondContact O-N 3.05Å; F927-M930 HydrophobicContact CD2-CE 3.78Å; F927-M930 HydrophobicContact CE2-CE 4.04Å; F927-M930 HydrophobicContact CG-CE 4.39Å; M930-N934 WeakPolarHBondContact O-CB 3.19Å; M930-N934 PolarHBondContact O-N 3.26Å; M930-F938 HydrophobicContact CE-CD1 3.79Å; M930-F938 HydrophobicContact CE-CD2 3.7Å; M930-F938 HydrophobicContact CE-CE1 3.56Å; M930-F938 HydrophobicContact CE-CE2 3.47Å; M930-F938 VanDerWaalsContact CE-CE2 3.47Å; M930-F938 HydrophobicContact CE-CG 3.87Å; M930-F938 HydrophobicContact CE-CZ 3.38Å; M930-F938 HydrophobicContact SD-CD2 3.84Å; M930-F938 HydrophobicContact SD-CE2 4.02Å; M930-F938 HydrophobicContact SD-CG 4.22Å; M930-T944 HydrophobicContact CB-CG2 4.3Å; M930-T944 HydrophobicContact CG-CG2 4.09Å; M930-T944 HydrophobicContact SD-CG2 4.47Å; M930-F945 HydrophobicContact CE-CD2 3.95Å; M930-F945 HydrophobicContact SD-CB 3.94Å; M930-F945 HydrophobicContact SD-CD2 3.96Å; M930-F945 HydrophobicContact SD-CG 4.46Å; M930-I948 HydrophobicContact CB-CD1 4.43Å; M930-I948 HydrophobicContact SD-CD1 4.19Å
931	I	93.7	Very high	92.9	Very high	16 Å²	16	62.5 Å²	62.5	8%	0.082	32%	0.318	C	S	.	.	H	α-helix	trans	-71.4	-31.7	176	-76.6	170.2	0	0	0	112	F927 N928 E929 E933 G935 Y936 F938	F927-I931 HydrophobicContact CD1-CD1 3.63Å; F927-I931 HydrophobicContact CE1-CD1 3.26Å; F927-I931 HydrophobicContact CG-CD1 4.46Å; F927-I931 HydrophobicContact CZ-CD1 3.8Å; F927-I931 WeakPolarHBondContact O-CG1 3.39Å; F927-I931 PolarHBondContact O-N 3.3Å; N928-I931 CarbonylContact O-C 3.56Å; N928-I931 PolarHBondContact O-N 3.12Å; E929-I931 VanDerWaalsContact C-N 3.3Å; E929-I931 PolarHBondContact O-N 3.16Å; I931-E933 VanDerWaalsContact C-N 3.35Å; I931-G935 WeakPolarHBondContact O-CA 3.39Å; I931-G935 PolarHBondContact O-N 3.05Å; I931-Y936 HydrophobicContact CD1-CD1 3.85Å; I931-Y936 HydrophobicContact CD1-CE1 3.87Å; I931-Y936 HydrophobicContact CG1-CD1 4.32Å; I931-Y936 HydrophobicContact CG2-CD1 3.81Å; I931-Y936 HydrophobicContact CG2-CD2 4.36Å; I931-Y936 HydrophobicContact CG2-CE1 3.54Å; I931-Y936 HydrophobicContact CG2-CE2 4.12Å; I931-Y936 HydrophobicContact CG2-CG 4.22Å; I931-F938 HydrophobicContact CD1-CE1 4.29Å; I931-F938 HydrophobicContact CG1-CD1 4.13Å; I931-F938 HydrophobicContact CG1-CE1 4.08Å
932	Q	93.9	Very high	92.7	Very high	174 Å²	174	61 Å²	61	81%	0.813	31%	0.313	S	S	*	.	H	α-helix	trans	-68.1	-35.6	175.9	-178	173	-31.4	0	0	111.5	N928 E929	N928-Q932 WeakPolarHBondContact O-CB 3.43Å; N928-Q932 PolarHBondContact O-N 2.98Å; E929-Q932 WeakPolarHBondContact O-CB 3.48Å; E929-Q932 PolarHBondContact O-N 3.18Å
933	E	90.7	Very high	92.3	Very high	152 Å²	152	65.7 Å²	65.7	71%	0.71	35%	0.346	S	S	*	.	H	α-helix	trans	-82.6	-40.4	176.4	-67	-177.6	177.4	0	0	114	E929 I931	E929-E933 PolarHBondContact O-N 2.88Å; E929-E933 VanDerWaalsContact O-N 3.09Å; I931-E933 VanDerWaalsContact C-N 3.35Å
934	N	89.5	Confident	92	Very high	81 Å²	81	68.7 Å²	68.7	43%	0.433	36%	0.364	S	S	.	.	H	α-helix	trans	-112.8	-11.1	-167.9	-50.4	156.1	0	0	0	113.9	M930 F938	M930-N934 WeakPolarHBondContact O-CB 3.19Å; M930-N934 PolarHBondContact O-N 3.26Å; N934-F938 HydrophobicContact CB-CB 4.04Å
935	G	89.3	Confident	91.9	Very high	29 Å²	29	67.6 Å²	67.6	30%	0.299	36%	0.359	S	S	.	.			trans	72.5	174	-172.8	0	0	0	0	0	113.9	I931 N937 F938	I931-G935 WeakPolarHBondContact O-CA 3.39Å; I931-G935 PolarHBondContact O-N 3.05Å; G935-N937 PolarHBondContact O-N 2.86Å; G935-F938 PolarHBondContact O-N 3.42Å
936	Y	86.4	Confident	91.7	Very high	117 Å²	117	68.5 Å²	68.5	46%	0.459	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-4.5	-177.8	-64.3	-76.1	0	0	0	115.5	I931 L995	I931-Y936 HydrophobicContact CD1-CD1 3.85Å; I931-Y936 HydrophobicContact CD1-CE1 3.87Å; I931-Y936 HydrophobicContact CG1-CD1 4.32Å; I931-Y936 HydrophobicContact CG2-CD1 3.81Å; I931-Y936 HydrophobicContact CG2-CD2 4.36Å; I931-Y936 HydrophobicContact CG2-CE1 3.54Å; I931-Y936 HydrophobicContact CG2-CE2 4.12Å; I931-Y936 HydrophobicContact CG2-CG 4.22Å; Y936-L995 HydrophobicContact CD1-CB 3.74Å; Y936-L995 HydrophobicContact CD1-CD2 4.48Å; Y936-L995 HydrophobicContact CD1-CG 4.5Å; Y936-L995 HydrophobicContact CE1-CB 3.62Å; Y936-L995 HydrophobicContact CE1-CD1 4.18Å; Y936-L995 HydrophobicContact CE1-CG 4.41Å; Y936-L995 HydrophobicContact CE2-CD1 4.17Å; Y936-L995 HydrophobicContact CG-CB 4.45Å; Y936-L995 HydrophobicContact CG-CD2 4.37Å
937	N	84.6	Confident	91.5	Very high	162 Å²	162	68.3 Å²	68.3	87%	0.866	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	24.1	179.9	-67	-8.1	0	0	0	112.4	G935	G935-N937 PolarHBondContact O-N 2.86Å
938	F	88.2	Confident	91.5	Very high	28 Å²	28	68.8 Å²	68.8	12%	0.123	38%	0.377	C	S	.	.			trans	-60.6	153.3	178.5	69.1	-91.1	0	0	0	112.6	F927 M930 I931 N934 G935 R940 F945 A998	F927-F938 HydrophobicContact CE2-CE1 4.27Å; F927-F938 AromaticContact CE2-CZ 3.81Å; F927-F938 HydrophobicContact CE2-CZ 3.81Å; F927-F938 HydrophobicContact CZ-CE1 4.31Å; F927-F938 HydrophobicContact CZ-CZ 4.23Å; M930-F938 HydrophobicContact CE-CD1 3.79Å; M930-F938 HydrophobicContact CE-CD2 3.7Å; M930-F938 HydrophobicContact CE-CE1 3.56Å; M930-F938 HydrophobicContact CE-CE2 3.47Å; M930-F938 VanDerWaalsContact CE-CE2 3.47Å; M930-F938 HydrophobicContact CE-CG 3.87Å; M930-F938 HydrophobicContact CE-CZ 3.38Å; M930-F938 HydrophobicContact SD-CD2 3.84Å; M930-F938 HydrophobicContact SD-CE2 4.02Å; M930-F938 HydrophobicContact SD-CG 4.22Å; I931-F938 HydrophobicContact CD1-CE1 4.29Å; I931-F938 HydrophobicContact CG1-CD1 4.13Å; I931-F938 HydrophobicContact CG1-CE1 4.08Å; N934-F938 HydrophobicContact CB-CB 4.04Å; G935-F938 PolarHBondContact O-N 3.42Å; F938-R940 HydrophobicContact CE2-CG 3.85Å; F938-F945 HydrophobicContact CD2-CD2 4.42Å; F938-F945 HydrophobicContact CE2-CB 4.44Å; F938-F945 AromaticContact CE2-CD2 3.52Å; F938-F945 HydrophobicContact CE2-CD2 3.52Å; F938-F945 AromaticContact CE2-CE2 3.89Å; F938-F945 HydrophobicContact CE2-CE2 3.89Å; F938-F945 HydrophobicContact CE2-CG 4.03Å; F938-F945 HydrophobicContact CZ-CD2 4.12Å; F938-F945 HydrophobicContact CZ-CE2 4.14Å; F938-A998 HydrophobicContact CE1-CB 4.45Å; F938-A998 HydrophobicContact CE2-CB 4.44Å; F938-A998 HydrophobicContact CZ-CB 3.65Å
939	D	88.3	Confident	91.5	Very high	92 Å²	92	68.5 Å²	68.5	49%	0.492	37%	0.373	S	S	.	.			trans	-79	129.3	174.3	179.5	31.3	0	0	0	111.8	S941 S942	D939-S941 VanDerWaalsContact C-N 3.31Å; D939-S941 VanDerWaalsContact CG-N 3.29Å; D939-S941 PolarHBondContact OD1-N 3.21Å; D939-S941 PolarHBondContact OD1-OG 3.13Å; D939-S941 VanDerWaalsContact OD2-C 3.3Å; D939-S941 WeakPolarHBondContact OD2-CA 3.23Å; D939-S941 WeakPolarHBondContact OD2-CB 3.26Å; D939-S941 PolarHBondContact OD2-N 3.13Å; D939-S941 PolarHBondContact OD2-OG 3.36Å; D939-S942 WeakPolarHBondContact O-CB 3.44Å; D939-S942 PolarHBondContact O-N 3.25Å; D939-S942 VanDerWaalsContact O-N 3.13Å; D939-S942 PolarHBondContact OD2-N 2.69Å
940	R	88.1	Confident	91.5	Very high	70 Å²	70	67.4 Å²	67.4	26%	0.264	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.8	174.5	-72.1	-176.3	-64.5	138.1	2.6	113.7	F938 S942 F945 A998 D1001 D1036	F938-R940 HydrophobicContact CE2-CG 3.85Å; R940-S942 VanDerWaalsContact C-N 3.34Å; R940-F945 HydrophobicContact CB-CD1 4.09Å; R940-F945 HydrophobicContact CB-CE1 4.1Å; R940-F945 HydrophobicContact CG-CD1 4.29Å; R940-F945 HydrophobicContact CG-CE1 4.05Å; R940-F945 HydrophobicContact CG-CZ 4.27Å; R940-F945 VanDerWaalsContact O-CD1 3.29Å; R940-F945 WeakPolarHBondContact O-CD1 3.09Å; R940-A998 HydrophobicContact CG-CB 4.45Å; R940-D1001 IonicContact CZ-OD2 2.74Å; R940-D1001 IonicContact NH1-OD2 3.43Å; R940-D1001 PolarHBondContact NH1-OD2 2.86Å; R940-D1036 PolarHBondContact NH2-O 2.85Å
941	S	89	Confident	91.5	Very high	92 Å²	92	67.5 Å²	67.5	64%	0.643	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.2	163.8	32.2	0	0	0	0	114	D939	D939-S941 VanDerWaalsContact C-N 3.31Å; D939-S941 VanDerWaalsContact CG-N 3.29Å; D939-S941 PolarHBondContact OD1-N 3.21Å; D939-S941 PolarHBondContact OD1-OG 3.13Å; D939-S941 VanDerWaalsContact OD2-C 3.3Å; D939-S941 WeakPolarHBondContact OD2-CA 3.23Å; D939-S941 WeakPolarHBondContact OD2-CB 3.26Å; D939-S941 PolarHBondContact OD2-N 3.13Å; D939-S941 PolarHBondContact OD2-OG 3.36Å
942	S	93.3	Very high	91.7	Very high	30 Å²	30	66.7 Å²	66.7	21%	0.21	36%	0.364	C	S	.	.	S	Bend	trans	-58.2	146	173.6	179.3	0	0	0	0	112.1	D939 R940 T944 F945 S946	D939-S942 WeakPolarHBondContact O-CB 3.44Å; D939-S942 PolarHBondContact O-N 3.25Å; D939-S942 VanDerWaalsContact O-N 3.13Å; D939-S942 PolarHBondContact OD2-N 2.69Å; R940-S942 VanDerWaalsContact C-N 3.34Å; S942-T944 VanDerWaalsContact C-N 3.26Å; S942-T944 PolarHBondContact O-N 2.84Å; S942-T944 PolarHBondContact OG-N 2.84Å; S942-F945 PolarHBondContact O-N 3.18Å; S942-S946 VanDerWaalsContact O-CB 3.3Å; S942-S946 WeakPolarHBondContact O-CB 3.39Å; S942-S946 PolarHBondContact O-N 3.38Å; S942-S946 PolarHBondContact O-OG 3.43Å
943	S	90.6	Very high	91.7	Very high	98 Å²	98	63.3 Å²	63.3	69%	0.685	34%	0.344	S	S	*	.	H	α-helix	trans	-58.3	-38	171.3	47.8	0	0	0	0	111.9	S946 G947	S943-S946 PolarHBondContact O-N 2.9Å; S943-G947 PolarHBondContact O-N 3.35Å
944	T	91.6	Very high	91.8	Very high	62 Å²	62	58.7 Å²	58.7	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-54.5	177.9	-47	0	0	0	0	111.1	M930 S942 S946 G947 I948	M930-T944 HydrophobicContact CB-CG2 4.3Å; M930-T944 HydrophobicContact CG-CG2 4.09Å; M930-T944 HydrophobicContact SD-CG2 4.47Å; S942-T944 VanDerWaalsContact C-N 3.26Å; S942-T944 PolarHBondContact O-N 2.84Å; S942-T944 PolarHBondContact OG-N 2.84Å; T944-S946 VanDerWaalsContact C-N 3.33Å; T944-S946 PolarHBondContact O-N 3.25Å; T944-G947 PolarHBondContact O-N 2.88Å; T944-G947 VanDerWaalsContact O-N 3.16Å; T944-I948 WeakPolarHBondContact O-CG1 3.49Å; T944-I948 PolarHBondContact O-N 3.14Å; T944-I948 VanDerWaalsContact O-N 3.1Å
945	F	94.8	Very high	92	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.022	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-39.9	178.7	-173.5	-102	0	0	0	112.1	F927 M930 F938 R940 S942 G947 I948 K949 D1001 I1002	F927-F945 HydrophobicContact CD2-CE2 4.27Å; F927-F945 HydrophobicContact CE2-CE2 4.07Å; M930-F945 HydrophobicContact CE-CD2 3.95Å; M930-F945 HydrophobicContact SD-CB 3.94Å; M930-F945 HydrophobicContact SD-CD2 3.96Å; M930-F945 HydrophobicContact SD-CG 4.46Å; F938-F945 HydrophobicContact CD2-CD2 4.42Å; F938-F945 HydrophobicContact CE2-CB 4.44Å; F938-F945 AromaticContact CE2-CD2 3.52Å; F938-F945 HydrophobicContact CE2-CD2 3.52Å; F938-F945 AromaticContact CE2-CE2 3.89Å; F938-F945 HydrophobicContact CE2-CE2 3.89Å; F938-F945 HydrophobicContact CE2-CG 4.03Å; F938-F945 HydrophobicContact CZ-CD2 4.12Å; F938-F945 HydrophobicContact CZ-CE2 4.14Å; R940-F945 HydrophobicContact CB-CD1 4.09Å; R940-F945 HydrophobicContact CB-CE1 4.1Å; R940-F945 HydrophobicContact CG-CD1 4.29Å; R940-F945 HydrophobicContact CG-CE1 4.05Å; R940-F945 HydrophobicContact CG-CZ 4.27Å; R940-F945 VanDerWaalsContact O-CD1 3.29Å; R940-F945 WeakPolarHBondContact O-CD1 3.09Å; S942-F945 PolarHBondContact O-N 3.18Å; F945-G947 VanDerWaalsContact C-N 3.31Å; F945-G947 PolarHBondContact O-N 3.22Å; F945-I948 PolarHBondContact O-N 3.49Å; F945-K949 WeakPolarHBondContact O-CB 3.24Å; F945-K949 PolarHBondContact O-N 3.24Å; F945-D1001 HydrophobicContact CE1-CB 4.24Å; F945-D1001 HydrophobicContact CZ-CB 4.02Å; F945-I1002 HydrophobicContact CD2-CD1 4.19Å; F945-I1002 HydrophobicContact CE2-CD1 3.56Å; F945-I1002 HydrophobicContact CE2-CG1 3.83Å; F945-I1002 HydrophobicContact CZ-CD1 4.13Å; F945-I1002 HydrophobicContact CZ-CG1 3.86Å
946	S	93.9	Very high	92.2	Very high	55 Å²	55	53.6 Å²	53.6	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-36.4	175.5	-58.6	0	0	0	0	112.3	S942 S943 T944 K949 E950	S942-S946 VanDerWaalsContact O-CB 3.3Å; S942-S946 WeakPolarHBondContact O-CB 3.39Å; S942-S946 PolarHBondContact O-N 3.38Å; S942-S946 PolarHBondContact O-OG 3.43Å; S943-S946 PolarHBondContact O-N 2.9Å; T944-S946 VanDerWaalsContact C-N 3.33Å; T944-S946 PolarHBondContact O-N 3.25Å; S946-K949 PolarHBondContact O-N 3.01Å; S946-E950 PolarHBondContact O-N 3.17Å
947	G	93.1	Very high	92.3	Very high	28 Å²	28	52.6 Å²	52.6	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-45	174.5	0	0	0	0	0	112.8	S943 T944 F945 K949 E950 L951	S943-G947 PolarHBondContact O-N 3.35Å; T944-G947 PolarHBondContact O-N 2.88Å; T944-G947 VanDerWaalsContact O-N 3.16Å; F945-G947 VanDerWaalsContact C-N 3.31Å; F945-G947 PolarHBondContact O-N 3.22Å; G947-K949 VanDerWaalsContact C-N 3.25Å; G947-K949 PolarHBondContact O-N 2.73Å; G947-E950 PolarHBondContact O-N 2.84Å; G947-L951 PolarHBondContact O-N 3.33Å
948	I	96.6	Very high	92.3	Very high	9 Å²	9	46.6 Å²	46.6	5%	0.046	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-38.5	174.2	-56.7	168.4	0	0	0	110.3	L923 L926 M930 T944 F945 L951 A952 I1002	L923-I948 HydrophobicContact CD2-CG2 3.86Å; L926-I948 HydrophobicContact CB-CD1 3.85Å; L926-I948 HydrophobicContact CB-CG1 3.91Å; L926-I948 HydrophobicContact CB-CG2 4.25Å; L926-I948 HydrophobicContact CD1-CG1 4.35Å; L926-I948 HydrophobicContact CD1-CG2 4.39Å; M930-I948 HydrophobicContact CB-CD1 4.43Å; M930-I948 HydrophobicContact SD-CD1 4.19Å; T944-I948 WeakPolarHBondContact O-CG1 3.49Å; T944-I948 PolarHBondContact O-N 3.14Å; T944-I948 VanDerWaalsContact O-N 3.1Å; F945-I948 PolarHBondContact O-N 3.49Å; I948-L951 PolarHBondContact O-N 3.31Å; I948-A952 WeakPolarHBondContact O-CB 3.41Å; I948-A952 PolarHBondContact O-N 3.39Å; I948-I1002 HydrophobicContact CB-CD1 4.36Å; I948-I1002 HydrophobicContact CG2-CD1 3.69Å; I948-I1002 HydrophobicContact CG2-CG1 4.36Å; I948-I1002 HydrophobicContact CG2-CG2 4.33Å
949	K	95.7	Very high	92	Very high	65 Å²	65	45.7 Å²	45.7	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-68.5	-41.6	177.2	-171.7	173.8	176.4	177.1	0	113.1	F945 S946 G947 L951 A952 R953 E1005	F945-K949 WeakPolarHBondContact O-CB 3.24Å; F945-K949 PolarHBondContact O-N 3.24Å; S946-K949 PolarHBondContact O-N 3.01Å; G947-K949 VanDerWaalsContact C-N 3.25Å; G947-K949 PolarHBondContact O-N 2.73Å; K949-L951 VanDerWaalsContact C-N 3.34Å; K949-A952 WeakPolarHBondContact O-CB 3.2Å; K949-A952 PolarHBondContact O-N 3.14Å; K949-R953 PolarHBondContact O-N 3.09Å; K949-E1005 WeakPolarHBondContact CE-OE1 3.37Å; K949-E1005 HydrophobicContact CG-CG 4Å; K949-E1005 IonicContact NZ-OE1 2.66Å; K949-E1005 PolarHBondContact NZ-OE1 3.09Å
950	E	94.6	Very high	91.3	Very high	47 Å²	47	42.9 Å²	42.9	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-37.7	172.7	168.8	60.3	-172.6	0	0	111.7	M890 S946 G947 R953 R954	M890-E950 HydrophobicContact CE-CB 4.19Å; M890-E950 HydrophobicContact CE-CG 3.57Å; M890-E950 HydrophobicContact SD-CB 4.38Å; M890-E950 HydrophobicContact SD-CG 3.78Å; S946-E950 PolarHBondContact O-N 3.17Å; G947-E950 PolarHBondContact O-N 2.84Å; E950-R953 WeakPolarHBondContact O-CB 3.46Å; E950-R953 PolarHBondContact O-N 2.98Å; E950-R953 IonicContact OE1-CZ 3.76Å; E950-R953 IonicContact OE1-NH2 3.64Å; E950-R953 PolarHBondContact OE1-NH2 2.9Å; E950-R953 IonicContact OE2-CZ 2.76Å; E950-R953 IonicContact OE2-NE 2.65Å; E950-R953 PolarHBondContact OE2-NE 3.47Å; E950-R953 IonicContact OE2-NH2 3.95Å; E950-R953 PolarHBondContact OE2-NH2 3.47Å; E950-R954 WeakPolarHBondContact O-CG 3.43Å; E950-R954 PolarHBondContact O-N 3.35Å; E950-R954 IonicContact OE1-CZ 2.62Å; E950-R954 VanDerWaalsContact OE1-CZ 3.27Å; E950-R954 IonicContact OE1-NE 3.19Å; E950-R954 PolarHBondContact OE1-NE 3.25Å; E950-R954 IonicContact OE1-NH2 2.69Å; E950-R954 PolarHBondContact OE1-NH2 3.31Å
951	L	96.1	Very high	90.5	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-45.1	172.8	-179.4	63	0	0	0	111.3	Y889 M890 L923 L926 G947 I948 K949 R953 R954 F955	Y889-L951 HydrophobicContact CD1-CD1 3.83Å; Y889-L951 HydrophobicContact CG-CD1 4.49Å; M890-L951 HydrophobicContact CB-CD1 4.27Å; M890-L951 HydrophobicContact CG-CD1 3.92Å; M890-L951 VanDerWaalsContact SD-CA 3.56Å; M890-L951 HydrophobicContact SD-CB 3.79Å; M890-L951 HydrophobicContact SD-CD1 4.13Å; L923-L951 HydrophobicContact CD2-CB 4.4Å; L923-L951 HydrophobicContact CD2-CD2 4.07Å; L923-L951 HydrophobicContact CD2-CG 4.16Å; L926-L951 HydrophobicContact CD1-CD2 3.52Å; G947-L951 PolarHBondContact O-N 3.33Å; I948-L951 PolarHBondContact O-N 3.31Å; K949-L951 VanDerWaalsContact C-N 3.34Å; L951-R953 VanDerWaalsContact C-N 3.34Å; L951-R953 PolarHBondContact O-N 3.09Å; L951-R954 WeakPolarHBondContact O-CB 3.34Å; L951-R954 PolarHBondContact O-N 2.85Å; L951-R954 VanDerWaalsContact O-N 3.15Å; L951-F955 HydrophobicContact CD1-CD1 4.09Å; L951-F955 HydrophobicContact CD1-CE1 3.56Å; L951-F955 HydrophobicContact CD1-CE2 4.48Å; L951-F955 HydrophobicContact CD1-CZ 3.79Å; L951-F955 HydrophobicContact CD2-CE2 4.34Å; L951-F955 HydrophobicContact CD2-CZ 4.1Å; L951-F955 HydrophobicContact CG-CD1 4.49Å; L951-F955 HydrophobicContact CG-CE1 4.09Å; L951-F955 HydrophobicContact CG-CE2 4.13Å; L951-F955 HydrophobicContact CG-CZ 3.89Å; L951-F955 WeakPolarHBondContact O-CG 3.35Å; L951-F955 PolarHBondContact O-N 3.42Å
952	A	96.8	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-41.5	174.7	0	0	0	0	0	112.6	L923 I948 K949 R954 F955 A956 I1002 F1006	L923-A952 HydrophobicContact CD1-CB 3.66Å; L923-A952 HydrophobicContact CD2-CB 4.05Å; I948-A952 WeakPolarHBondContact O-CB 3.41Å; I948-A952 PolarHBondContact O-N 3.39Å; K949-A952 WeakPolarHBondContact O-CB 3.2Å; K949-A952 PolarHBondContact O-N 3.14Å; A952-R954 VanDerWaalsContact C-N 3.35Å; A952-R954 PolarHBondContact O-N 3.47Å; A952-F955 PolarHBondContact O-N 3.33Å; A952-A956 PolarHBondContact O-N 3.16Å; A952-I1002 HydrophobicContact CB-CG2 3.48Å; A952-I1002 VanDerWaalsContact CB-CG2 3.48Å; A952-F1006 HydrophobicContact CB-CE2 3.76Å; A952-F1006 HydrophobicContact CB-CZ 4.21Å; A952-F1006 WeakPolarHBondContact O-CZ 3.33Å
953	R	94.7	Very high	89.2	Confident	102 Å²	102	48.2 Å²	48.2	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-42.4	173	-168	-173.8	68.7	88.2	5.1	111.7	K949 E950 L951 A956 L957 E1005	K949-R953 PolarHBondContact O-N 3.09Å; E950-R953 WeakPolarHBondContact O-CB 3.46Å; E950-R953 PolarHBondContact O-N 2.98Å; E950-R953 IonicContact OE1-CZ 3.76Å; E950-R953 IonicContact OE1-NH2 3.64Å; E950-R953 PolarHBondContact OE1-NH2 2.9Å; E950-R953 IonicContact OE2-CZ 2.76Å; E950-R953 IonicContact OE2-NE 2.65Å; E950-R953 PolarHBondContact OE2-NE 3.47Å; E950-R953 IonicContact OE2-NH2 3.95Å; E950-R953 PolarHBondContact OE2-NH2 3.47Å; L951-R953 VanDerWaalsContact C-N 3.34Å; L951-R953 PolarHBondContact O-N 3.09Å; R953-A956 WeakPolarHBondContact O-CB 3.41Å; R953-A956 PolarHBondContact O-N 3.47Å; R953-L957 PolarHBondContact O-N 3.04Å; R953-E1005 HydrophobicContact CB-CB 4.36Å; R953-E1005 HydrophobicContact CB-CG 4.18Å; R953-E1005 WeakPolarHBondContact CG-OE2 3.47Å
954	R	92.9	Very high	88.6	Confident	56 Å²	56	49.7 Å²	49.7	21%	0.211	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-42.3	174.6	-70.2	-179.2	-172.2	-148.9	-1.3	112.3	Y889 E950 L951 A952 A956 L957	Y889-R954 HydrophobicContact CE1-CB 4.43Å; E950-R954 WeakPolarHBondContact O-CG 3.43Å; E950-R954 PolarHBondContact O-N 3.35Å; E950-R954 IonicContact OE1-CZ 2.62Å; E950-R954 VanDerWaalsContact OE1-CZ 3.27Å; E950-R954 IonicContact OE1-NE 3.19Å; E950-R954 PolarHBondContact OE1-NE 3.25Å; E950-R954 IonicContact OE1-NH2 2.69Å; E950-R954 PolarHBondContact OE1-NH2 3.31Å; L951-R954 WeakPolarHBondContact O-CB 3.34Å; L951-R954 PolarHBondContact O-N 2.85Å; L951-R954 VanDerWaalsContact O-N 3.15Å; A952-R954 VanDerWaalsContact C-N 3.35Å; A952-R954 PolarHBondContact O-N 3.47Å; R954-A956 VanDerWaalsContact C-N 3.33Å; R954-A956 PolarHBondContact O-N 3.45Å; R954-L957 WeakPolarHBondContact O-CB 3.43Å; R954-L957 PolarHBondContact O-N 3.21Å
955	F	94.6	Very high	88	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-41	173.4	-73	-5.3	0	0	0	111.9	F886 Y889 M904 L919 L923 L951 A952 L957 T958 F1006	F886-F955 HydrophobicContact CB-CZ 4.12Å; F886-F955 WeakPolarHBondContact O-CZ 3.39Å; Y889-F955 HydrophobicContact CD1-CE1 4.12Å; M904-F955 HydrophobicContact CE-CE1 4.33Å; M904-F955 HydrophobicContact SD-CD1 4.08Å; M904-F955 HydrophobicContact SD-CE1 3.61Å; M904-F955 HydrophobicContact SD-CZ 4.35Å; L919-F955 HydrophobicContact CB-CD2 4.15Å; L919-F955 HydrophobicContact CB-CE2 4.45Å; L919-F955 HydrophobicContact CD2-CD1 3.95Å; L919-F955 HydrophobicContact CD2-CD2 3.78Å; L919-F955 HydrophobicContact CD2-CE1 3.93Å; L919-F955 HydrophobicContact CD2-CE2 3.77Å; L919-F955 HydrophobicContact CD2-CG 3.88Å; L919-F955 HydrophobicContact CD2-CZ 3.84Å; L923-F955 HydrophobicContact CD1-CD2 3.98Å; L923-F955 HydrophobicContact CD1-CE2 4.47Å; L923-F955 HydrophobicContact CD2-CD2 4.34Å; L923-F955 HydrophobicContact CD2-CE2 4.25Å; L923-F955 HydrophobicContact CG-CD2 4.1Å; L923-F955 HydrophobicContact CG-CE2 4.1Å; L951-F955 HydrophobicContact CD1-CD1 4.09Å; L951-F955 HydrophobicContact CD1-CE1 3.56Å; L951-F955 HydrophobicContact CD1-CE2 4.48Å; L951-F955 HydrophobicContact CD1-CZ 3.79Å; L951-F955 HydrophobicContact CD2-CE2 4.34Å; L951-F955 HydrophobicContact CD2-CZ 4.1Å; L951-F955 HydrophobicContact CG-CD1 4.49Å; L951-F955 HydrophobicContact CG-CE1 4.09Å; L951-F955 HydrophobicContact CG-CE2 4.13Å; L951-F955 HydrophobicContact CG-CZ 3.89Å; L951-F955 WeakPolarHBondContact O-CG 3.35Å; L951-F955 PolarHBondContact O-N 3.42Å; A952-F955 PolarHBondContact O-N 3.33Å; F955-L957 VanDerWaalsContact C-N 3.25Å; F955-L957 PolarHBondContact O-N 3.2Å; F955-T958 WeakPolarHBondContact O-CB 3.29Å; F955-T958 WeakPolarHBondContact O-CG2 3.19Å; F955-T958 PolarHBondContact O-N 2.77Å; F955-T958 PolarHBondContact O-OG1 3.36Å; F955-F1006 HydrophobicContact CB-CE1 3.83Å; F955-F1006 HydrophobicContact CB-CZ 3.77Å
956	A	91.8	Very high	87.4	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-33.7	176.4	0	0	0	0	0	112.6	A952 R953 R954 T958 F1006 K1009	A952-A956 PolarHBondContact O-N 3.16Å; R953-A956 WeakPolarHBondContact O-CB 3.41Å; R953-A956 PolarHBondContact O-N 3.47Å; R954-A956 VanDerWaalsContact C-N 3.33Å; R954-A956 PolarHBondContact O-N 3.45Å; A956-T958 VanDerWaalsContact C-N 3.28Å; A956-T958 PolarHBondContact O-N 3.42Å; A956-F1006 HydrophobicContact CB-CD1 3.66Å; A956-F1006 HydrophobicContact CB-CE1 4.01Å; A956-F1006 HydrophobicContact CB-CG 4.19Å; A956-K1009 HydrophobicContact CB-CG 4.47Å; A956-K1009 WeakPolarHBondContact O-CE 3.35Å
957	L	89.7	Confident	87.2	Confident	95 Å²	95	54.5 Å²	54.5	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-26.5	174.9	-63.8	175.9	0	0	0	113.2	R953 R954 F955 F959 G960	R953-L957 PolarHBondContact O-N 3.04Å; R954-L957 WeakPolarHBondContact O-CB 3.43Å; R954-L957 PolarHBondContact O-N 3.21Å; F955-L957 VanDerWaalsContact C-N 3.25Å; F955-L957 PolarHBondContact O-N 3.2Å; L957-F959 PolarHBondContact O-N 2.8Å; L957-G960 PolarHBondContact O-N 3.05Å
958	T	83.7	Confident	87	Confident	36 Å²	36	60 Å²	60	22%	0.221	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.6	-177.9	72.8	0	0	0	0	114.1	R908 F955 A956 G960	R908-T958 PolarHBondContact NE-O 3.4Å; F955-T958 WeakPolarHBondContact O-CB 3.29Å; F955-T958 WeakPolarHBondContact O-CG2 3.19Å; F955-T958 PolarHBondContact O-N 2.77Å; F955-T958 PolarHBondContact O-OG1 3.36Å; A956-T958 VanDerWaalsContact C-N 3.28Å; A956-T958 PolarHBondContact O-N 3.42Å; T958-G960 PolarHBondContact O-N 2.91Å
959	F	81.3	Confident	86.8	Confident	9 Å²	9	59.6 Å²	59.6	4%	0.039	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3	174.3	-62.4	-77.3	0	0	0	113.7	A916 L919 L957 T966 A969 I970 L973 F1006	A916-F959 HydrophobicContact CB-CE1 3.97Å; A916-F959 HydrophobicContact CB-CZ 3.8Å; L919-F959 HydrophobicContact CD1-CZ 4.24Å; L957-F959 PolarHBondContact O-N 2.8Å; F959-T966 HydrophobicContact CB-CG2 4.13Å; F959-T966 HydrophobicContact CD1-CG2 3.99Å; F959-T966 WeakPolarHBondContact O-CG2 3.45Å; F959-A969 HydrophobicContact CE1-CB 4.25Å; F959-I970 HydrophobicContact CB-CD1 4.04Å; F959-I970 HydrophobicContact CB-CG1 4.33Å; F959-I970 HydrophobicContact CD1-CD1 4.35Å; F959-I970 HydrophobicContact CD1-CG1 3.85Å; F959-I970 HydrophobicContact CD2-CG1 4.2Å; F959-I970 HydrophobicContact CE1-CG1 4.19Å; F959-I970 HydrophobicContact CG-CD1 4.13Å; F959-I970 HydrophobicContact CG-CG1 3.86Å; F959-L973 HydrophobicContact CE2-CD1 4.25Å; F959-L973 HydrophobicContact CZ-CD1 4.17Å; F959-F1006 HydrophobicContact CE2-CD1 4.16Å; F959-F1006 HydrophobicContact CE2-CE1 4.12Å
960	G	74.2	Confident	86.7	Confident	34 Å²	34	56.6 Å²	56.6	35%	0.351	28%	0.279	S	S	.	.			trans	74.2	-153.3	172.5	0	0	0	0	0	114.8	L957 T958 K1009	L957-G960 PolarHBondContact O-N 3.05Å; T958-G960 PolarHBondContact O-N 2.91Å; G960-K1009 PolarHBondContact O-NZ 3.27Å
961	L	72.6	Confident	86.6	Confident	165 Å²	165	55.2 Å²	55.2	86%	0.864	28%	0.275	S	S	*	.	S	Bend	trans	-104.1	-25.7	176.6	-62.6	177.9	0	0	0	113	Q963	L961-Q963 VanDerWaalsContact C-N 3.29Å; L961-Q963 PolarHBondContact O-N 3.26Å
962	D	76.3	Confident	86.5	Confident	69 Å²	69	57.4 Å²	57.4	37%	0.369	29%	0.286	S	S	.	.			trans	-78.4	79.1	177.1	-171.5	-21.6	0	0	0	110.7	L964 K965 T966	D962-L964 PolarHBondContact O-N 2.85Å; D962-L964 WeakPolarHBondContact OD1-CB 3.31Å; D962-L964 PolarHBondContact OD1-N 2.96Å; D962-K965 HydrophobicContact CB-CB 4.46Å; D962-K965 PolarHBondContact O-N 2.77Å; D962-K965 PolarHBondContact OD1-N 2.81Å; D962-K965 VanDerWaalsContact OD2-CD 3.3Å; D962-K965 WeakPolarHBondContact OD2-CD 3.49Å; D962-K965 WeakPolarHBondContact OD2-CE 3.38Å; D962-K965 WeakPolarHBondContact OD2-CG 3.47Å; D962-K965 IonicContact OD2-NZ 2.81Å; D962-K965 PolarHBondContact OD2-NZ 3.42Å; D962-T966 PolarHBondContact O-OG1 3.1Å
963	Q	77.6	Confident	86.5	Confident	70 Å²	70	57.4 Å²	57.4	33%	0.327	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28.8	177.3	-63.6	-176.5	-10.9	0	0	112.2	L961 K965 T966 R967 L1011	L961-Q963 VanDerWaalsContact C-N 3.29Å; L961-Q963 PolarHBondContact O-N 3.26Å; Q963-K965 VanDerWaalsContact C-N 3.34Å; Q963-K965 PolarHBondContact O-N 2.7Å; Q963-T966 PolarHBondContact O-N 3.47Å; Q963-R967 WeakPolarHBondContact O-CA 3.26Å; Q963-R967 WeakPolarHBondContact O-CB 3.31Å; Q963-R967 PolarHBondContact O-N 3.5Å; Q963-L1011 HydrophobicContact CB-CD1 3.75Å; Q963-L1011 HydrophobicContact CB-CG 4Å
964	L	77.8	Confident	86.6	Confident	129 Å²	129	52.5 Å²	52.5	68%	0.675	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-65.8	-39.4	-178.5	-152.9	82.4	0	0	0	111.1	D962 T966 L1011	D962-L964 PolarHBondContact O-N 2.85Å; D962-L964 WeakPolarHBondContact OD1-CB 3.31Å; D962-L964 PolarHBondContact OD1-N 2.96Å; L964-T966 VanDerWaalsContact C-N 3.3Å; L964-T966 PolarHBondContact O-N 3.29Å; L964-L1011 HydrophobicContact CD1-CD2 4.15Å
965	K	78.8	Confident	86.7	Confident	139 Å²	139	53.1 Å²	53.1	60%	0.604	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-76.1	-8.5	177.9	-74.2	-169.7	-174.4	96.6	0	114.9	K912 D962 Q963	K912-K965 WeakPolarHBondContact CD-O 3.37Å; K912-K965 PolarHBondContact NZ-O 3.38Å; D962-K965 HydrophobicContact CB-CB 4.46Å; D962-K965 PolarHBondContact O-N 2.77Å; D962-K965 PolarHBondContact OD1-N 2.81Å; D962-K965 VanDerWaalsContact OD2-CD 3.3Å; D962-K965 WeakPolarHBondContact OD2-CD 3.49Å; D962-K965 WeakPolarHBondContact OD2-CE 3.38Å; D962-K965 WeakPolarHBondContact OD2-CG 3.47Å; D962-K965 IonicContact OD2-NZ 2.81Å; D962-K965 PolarHBondContact OD2-NZ 3.42Å; Q963-K965 VanDerWaalsContact C-N 3.34Å; Q963-K965 PolarHBondContact O-N 2.7Å
966	T	83.1	Confident	86.8	Confident	14 Å²	14	54.7 Å²	54.7	9%	0.086	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-6.5	-177.3	48.8	0	0	0	0	114.2	F959 D962 Q963 L964 E968 A969 I970	F959-T966 HydrophobicContact CB-CG2 4.13Å; F959-T966 HydrophobicContact CD1-CG2 3.99Å; F959-T966 WeakPolarHBondContact O-CG2 3.45Å; D962-T966 PolarHBondContact O-OG1 3.1Å; Q963-T966 PolarHBondContact O-N 3.47Å; L964-T966 VanDerWaalsContact C-N 3.3Å; L964-T966 PolarHBondContact O-N 3.29Å; T966-E968 PolarHBondContact O-N 3.07Å; T966-A969 WeakPolarHBondContact O-CB 3.38Å; T966-A969 PolarHBondContact O-N 3.33Å; T966-A969 VanDerWaalsContact O-N 3.11Å; T966-I970 WeakPolarHBondContact O-CG1 3.37Å; T966-I970 PolarHBondContact O-N 2.93Å; T966-I970 VanDerWaalsContact O-N 3.09Å; T966-I970 WeakPolarHBondContact OG1-CD1 3.43Å
967	R	89.1	Confident	87.1	Confident	70 Å²	70	54.6 Å²	54.6	26%	0.264	28%	0.279	S	S	.	.	H	α-helix	trans	-32.4	-61.3	177.4	178.3	175.9	-174.1	167.5	11.3	115.2	Q963 I970 A971 L1011 D1014	Q963-R967 WeakPolarHBondContact O-CA 3.26Å; Q963-R967 WeakPolarHBondContact O-CB 3.31Å; Q963-R967 PolarHBondContact O-N 3.5Å; R967-I970 PolarHBondContact O-N 2.82Å; R967-A971 VanDerWaalsContact O-CB 3.32Å; R967-A971 WeakPolarHBondContact O-CB 3.13Å; R967-A971 PolarHBondContact O-N 3.28Å; R967-L1011 HydrophobicContact CB-CD1 3.92Å; R967-L1011 HydrophobicContact CG-CD1 3.95Å; R967-D1014 WeakPolarHBondContact CG-OD2 3.44Å; R967-D1014 IonicContact CZ-OD1 3.3Å; R967-D1014 VanDerWaalsContact CZ-OD1 3.29Å; R967-D1014 IonicContact CZ-OD2 2.65Å; R967-D1014 VanDerWaalsContact CZ-OD2 3.3Å; R967-D1014 IonicContact NE-OD1 2.82Å; R967-D1014 PolarHBondContact NE-OD1 2.89Å; R967-D1014 IonicContact NE-OD2 2.75Å; R967-D1014 PolarHBondContact NE-OD2 3.49Å; R967-D1014 IonicContact NH2-OD1 3.23Å; R967-D1014 PolarHBondContact NH2-OD1 3.06Å; R967-D1014 IonicContact NH2-OD2 3.29Å; R967-D1014 PolarHBondContact NH2-OD2 3.33Å
968	E	90	Very high	87.4	Confident	142 Å²	142	50 Å²	50	66%	0.664	26%	0.255	S	S	*	.	H	α-helix	trans	-70.8	-34.8	-171.8	-62.2	-171.9	156.7	0	0	112.6	I913 T966 A971 M972	I913-E968 HydrophobicContact CD1-CB 4.28Å; T966-E968 PolarHBondContact O-N 3.07Å; E968-A971 PolarHBondContact O-N 3.36Å; E968-M972 WeakPolarHBondContact O-CB 3.41Å; E968-M972 PolarHBondContact O-N 2.96Å
969	A	91.9	Very high	88	Confident	2 Å²	2	52 Å²	52	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-45	175.8	0	0	0	0	0	111.6	K912 I913 A916 F959 T966 M972 L973	K912-A969 HydrophobicContact CB-CB 4.02Å; K912-A969 VanDerWaalsContact O-CB 3.26Å; K912-A969 WeakPolarHBondContact O-CB 3.23Å; I913-A969 HydrophobicContact CG1-CB 4.2Å; A916-A969 HydrophobicContact CB-CB 3.93Å; F959-A969 HydrophobicContact CE1-CB 4.25Å; T966-A969 WeakPolarHBondContact O-CB 3.38Å; T966-A969 PolarHBondContact O-N 3.33Å; T966-A969 VanDerWaalsContact O-N 3.11Å; A969-M972 PolarHBondContact O-N 3.27Å; A969-L973 WeakPolarHBondContact O-CB 3.17Å; A969-L973 PolarHBondContact O-N 3.24Å
970	I	92.8	Very high	88.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-42	176.1	-59	158	0	0	0	110.2	F959 T966 R967 M972 L973 H974 K1009 L1010	F959-I970 HydrophobicContact CB-CD1 4.04Å; F959-I970 HydrophobicContact CB-CG1 4.33Å; F959-I970 HydrophobicContact CD1-CD1 4.35Å; F959-I970 HydrophobicContact CD1-CG1 3.85Å; F959-I970 HydrophobicContact CD2-CG1 4.2Å; F959-I970 HydrophobicContact CE1-CG1 4.19Å; F959-I970 HydrophobicContact CG-CD1 4.13Å; F959-I970 HydrophobicContact CG-CG1 3.86Å; T966-I970 WeakPolarHBondContact O-CG1 3.37Å; T966-I970 PolarHBondContact O-N 2.93Å; T966-I970 VanDerWaalsContact O-N 3.09Å; T966-I970 WeakPolarHBondContact OG1-CD1 3.43Å; R967-I970 PolarHBondContact O-N 2.82Å; I970-M972 VanDerWaalsContact C-N 3.29Å; I970-M972 PolarHBondContact O-N 2.95Å; I970-L973 PolarHBondContact O-N 3.32Å; I970-H974 PolarHBondContact O-CD2 3.45Å; I970-H974 PolarHBondContact O-N 3.19Å; I970-K1009 HydrophobicContact CD1-CB 3.82Å; I970-K1009 HydrophobicContact CG2-CB 4.42Å; I970-L1010 HydrophobicContact CB-CD2 4.49Å; I970-L1010 HydrophobicContact CG2-CD2 3.76Å; I970-L1010 HydrophobicContact CG2-CG 3.94Å
971	A	93.1	Very high	89.8	Confident	17 Å²	17	50.8 Å²	50.8	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-64.5	-30.7	175.9	0	0	0	0	0	113.1	R967 E968 K975	R967-A971 VanDerWaalsContact O-CB 3.32Å; R967-A971 WeakPolarHBondContact O-CB 3.13Å; R967-A971 PolarHBondContact O-N 3.28Å; E968-A971 PolarHBondContact O-N 3.36Å; A971-K975 WeakPolarHBondContact O-CG 3.44Å; A971-K975 PolarHBondContact O-N 2.96Å
972	M	94.3	Very high	90.8	Very high	51 Å²	51	44.2 Å²	44.2	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-73.4	-47.1	172.9	-169	67.9	75.1	0	0	111.7	I913 K917 E968 A969 I970 H974 K975 D976	I913-M972 HydrophobicContact CG2-CB 4.06Å; I913-M972 HydrophobicContact CG2-CE 4.22Å; I913-M972 HydrophobicContact CG2-CG 3.91Å; K917-M972 HydrophobicContact CD-CG 4.47Å; K917-M972 HydrophobicContact CG-CG 4.19Å; E968-M972 WeakPolarHBondContact O-CB 3.41Å; E968-M972 PolarHBondContact O-N 2.96Å; A969-M972 PolarHBondContact O-N 3.27Å; I970-M972 VanDerWaalsContact C-N 3.29Å; I970-M972 PolarHBondContact O-N 2.95Å; M972-H974 PolarHBondContact O-N 2.62Å; M972-K975 WeakPolarHBondContact O-CA 3.4Å; M972-K975 WeakPolarHBondContact O-CB 3.46Å; M972-K975 PolarHBondContact O-N 3.26Å; M972-K975 HydrophobicContact SD-CD 4.29Å; M972-D976 PolarHBondContact O-N 3.1Å
973	L	95.8	Very high	91.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-51.8	-39.9	174.6	173.8	149.2	0	0	0	112.1	A916 I920 F959 A969 I970 G977 L1003 F1006	A916-L973 HydrophobicContact CB-CB 4.25Å; A916-L973 HydrophobicContact CB-CD1 4.39Å; I920-L973 HydrophobicContact CB-CD1 4.3Å; I920-L973 HydrophobicContact CB-CG 4.02Å; I920-L973 HydrophobicContact CD1-CD2 4.42Å; I920-L973 HydrophobicContact CD1-CG 4.28Å; I920-L973 HydrophobicContact CG1-CG 4.33Å; F959-L973 HydrophobicContact CE2-CD1 4.25Å; F959-L973 HydrophobicContact CZ-CD1 4.17Å; A969-L973 WeakPolarHBondContact O-CB 3.17Å; A969-L973 PolarHBondContact O-N 3.24Å; I970-L973 PolarHBondContact O-N 3.32Å; L973-G977 PolarHBondContact O-N 3.03Å; L973-L1003 HydrophobicContact CD2-CD1 3.81Å; L973-F1006 HydrophobicContact CD1-CD1 3.81Å; L973-F1006 HydrophobicContact CD1-CE1 3.68Å; L973-F1006 HydrophobicContact CD1-CG 4.35Å; L973-F1006 HydrophobicContact CD1-CZ 4.1Å; L973-F1006 HydrophobicContact CD2-CB 3.72Å; L973-F1006 HydrophobicContact CD2-CD1 3.78Å; L973-F1006 HydrophobicContact CD2-CD2 3.84Å; L973-F1006 HydrophobicContact CD2-CE1 4.33Å; L973-F1006 HydrophobicContact CD2-CE2 4.36Å; L973-F1006 HydrophobicContact CD2-CG 3.51Å
974	H	96.5	Very high	92.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-29.1	174.8	-79.3	-66.2	0	0	0	114.7	I970 M972 I978 L1003 S1007 L1010 V1018 Y1044	I970-H974 PolarHBondContact O-CD2 3.45Å; I970-H974 PolarHBondContact O-N 3.19Å; M972-H974 PolarHBondContact O-N 2.62Å; H974-I978 WeakPolarHBondContact O-CB 3.47Å; H974-I978 VanDerWaalsContact O-CD1 3.29Å; H974-I978 WeakPolarHBondContact O-CD1 3.32Å; H974-I978 WeakPolarHBondContact O-CG1 3.39Å; H974-I978 PolarHBondContact O-N 3.35Å; H974-I978 VanDerWaalsContact O-N 3.1Å; H974-L1003 PolarHBondContact CE1-O 2.9Å; H974-L1003 VanDerWaalsContact CE1-O 3.3Å; H974-L1003 WeakPolarHBondContact ND1-CG 3.41Å; H974-S1007 PolarHBondContact NE2-N 3.31Å; H974-L1010 VanDerWaalsContact CD2-CD1 3.45Å; H974-L1010 WeakPolarHBondContact CD2-CD1 3.46Å; H974-V1018 HydrophobicContact CB-CG1 3.78Å; H974-V1018 HydrophobicContact CB-CG2 3.97Å; H974-Y1044 AromaticContact CE1-CE2 3.94Å; H974-Y1044 AromaticContact ND1-CE2 3.71Å; H974-Y1044 AromaticContact ND1-CZ 3.78Å; H974-Y1044 PolarHBondContact ND1-OH 3.45Å
975	K	96.4	Very high	92.7	Very high	69 Å²	69	46 Å²	46	30%	0.3	22%	0.221	S	C	.	.	H	α-helix	trans	-69.8	-53	173.7	-69.6	174.3	-177	172.2	0	110.9	A971 M972 G977 I978 E979 Y1021	A971-K975 WeakPolarHBondContact O-CG 3.44Å; A971-K975 PolarHBondContact O-N 2.96Å; M972-K975 WeakPolarHBondContact O-CA 3.4Å; M972-K975 WeakPolarHBondContact O-CB 3.46Å; M972-K975 PolarHBondContact O-N 3.26Å; M972-K975 HydrophobicContact SD-CD 4.29Å; K975-G977 VanDerWaalsContact C-N 3.26Å; K975-G977 PolarHBondContact O-N 3.15Å; K975-I978 WeakPolarHBondContact O-CB 3.27Å; K975-I978 PolarHBondContact O-N 3.27Å; K975-E979 PolarHBondContact O-N 3.48Å; K975-Y1021 HydrophobicContact CB-CD1 4.16Å; K975-Y1021 HydrophobicContact CB-CE1 3.73Å; K975-Y1021 HydrophobicContact CD-CE1 4.35Å; K975-Y1021 HydrophobicContact CD-CE2 4.31Å; K975-Y1021 HydrophobicContact CG-CD1 3.78Å; K975-Y1021 HydrophobicContact CG-CD2 4.43Å; K975-Y1021 HydrophobicContact CG-CE1 3.68Å; K975-Y1021 HydrophobicContact CG-CE2 4.36Å; K975-Y1021 HydrophobicContact CG-CG 4.14Å
976	D	96.5	Very high	93.1	Very high	33 Å²	33	40.9 Å²	40.9	18%	0.176	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-39.5	179.7	-69.3	27.3	0	0	0	111.4	K917 I920 Q924 M972 F980	K917-D976 WeakPolarHBondContact CG-OD2 3.29Å; K917-D976 IonicContact NZ-OD1 3.46Å; K917-D976 PolarHBondContact NZ-OD1 2.94Å; K917-D976 IonicContact NZ-OD2 2.83Å; K917-D976 PolarHBondContact NZ-OD2 3.45Å; I920-D976 HydrophobicContact CG2-CB 3.97Å; Q924-D976 PolarHBondContact NE2-O 3.02Å; M972-D976 PolarHBondContact O-N 3.1Å; D976-F980 WeakPolarHBondContact O-CB 3.44Å; D976-F980 PolarHBondContact O-N 2.63Å
977	G	96.9	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-34.1	174.5	0	0	0	0	0	114.6	L973 K975 A981	L973-G977 PolarHBondContact O-N 3.03Å; K975-G977 VanDerWaalsContact C-N 3.26Å; K975-G977 PolarHBondContact O-N 3.15Å; G977-A981 WeakPolarHBondContact O-CB 3.28Å; G977-A981 PolarHBondContact O-N 2.75Å; G977-A981 VanDerWaalsContact O-N 3.14Å
978	I	97.2	Very high	92.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.7	-48.5	171.6	-74.6	165.4	0	0	0	109.9	H974 K975 F980 A981 F982 L1003 V1018 Y1021 L1022 F1025 Y1044	H974-I978 WeakPolarHBondContact O-CB 3.47Å; H974-I978 VanDerWaalsContact O-CD1 3.29Å; H974-I978 WeakPolarHBondContact O-CD1 3.32Å; H974-I978 WeakPolarHBondContact O-CG1 3.39Å; H974-I978 PolarHBondContact O-N 3.35Å; H974-I978 VanDerWaalsContact O-N 3.1Å; K975-I978 WeakPolarHBondContact O-CB 3.27Å; K975-I978 PolarHBondContact O-N 3.27Å; I978-F980 VanDerWaalsContact C-N 3.3Å; I978-F980 PolarHBondContact O-N 3.07Å; I978-A981 PolarHBondContact O-N 2.91Å; I978-A981 VanDerWaalsContact O-N 3.1Å; I978-F982 HydrophobicContact CG2-CD2 3.95Å; I978-F982 HydrophobicContact CG2-CE2 4.19Å; I978-F982 VanDerWaalsContact O-CD2 3.26Å; I978-F982 WeakPolarHBondContact O-CD2 3.23Å; I978-F982 PolarHBondContact O-N 2.75Å; I978-F982 VanDerWaalsContact O-N 3.15Å; I978-L1003 HydrophobicContact CG1-CD2 4.23Å; I978-V1018 HydrophobicContact CD1-CG1 3.91Å; I978-Y1021 HydrophobicContact CD1-CD1 4.4Å; I978-Y1021 HydrophobicContact CG2-CD1 4.41Å; I978-L1022 HydrophobicContact CD1-CB 3.96Å; I978-L1022 HydrophobicContact CD1-CD1 4.38Å; I978-L1022 HydrophobicContact CG1-CD1 4.24Å; I978-L1022 HydrophobicContact CG2-CD1 4.21Å; I978-F1025 HydrophobicContact CG2-CD2 3.6Å; I978-F1025 HydrophobicContact CG2-CE2 3.92Å; I978-F1025 HydrophobicContact CG2-CG 4.15Å; I978-Y1044 HydrophobicContact CD1-CE1 4.03Å; I978-Y1044 HydrophobicContact CG1-CE1 3.89Å
979	E	96.9	Very high	92	Very high	78 Å²	78	44 Å²	44	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-42	179.9	-76.8	169.2	-140.3	0	0	111.4	K975 F982 K983 Y1021 F1025	K975-E979 PolarHBondContact O-N 3.48Å; E979-F982 PolarHBondContact O-N 2.69Å; E979-K983 WeakPolarHBondContact O-CA 3.48Å; E979-K983 WeakPolarHBondContact O-CB 3.36Å; E979-K983 PolarHBondContact O-N 3.39Å; E979-Y1021 HydrophobicContact CG-CE1 4.31Å; E979-Y1021 VanDerWaalsContact OE1-CE1 3.29Å; E979-Y1021 WeakPolarHBondContact OE1-CE1 3.49Å; E979-Y1021 VanDerWaalsContact OE1-CZ 3.29Å; E979-Y1021 PolarHBondContact OE1-OH 3.24Å; E979-F1025 HydrophobicContact CG-CE1 4.11Å; E979-F1025 HydrophobicContact CG-CE2 4.37Å; E979-F1025 HydrophobicContact CG-CZ 3.6Å
980	F	96.8	Very high	90.8	Very high	16 Å²	16	52.6 Å²	52.6	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-43	172.9	178.8	-95.3	0	0	0	113.6	Q924 F927 N928 D976 I978 F982 K983 N996 F999	Q924-F980 HydrophobicContact CB-CD2 4.01Å; Q924-F980 HydrophobicContact CB-CE1 4.36Å; Q924-F980 HydrophobicContact CB-CE2 3.79Å; Q924-F980 HydrophobicContact CB-CG 4.39Å; Q924-F980 HydrophobicContact CB-CZ 3.97Å; Q924-F980 HydrophobicContact CG-CB 4.17Å; Q924-F980 HydrophobicContact CG-CD1 3.8Å; Q924-F980 HydrophobicContact CG-CD2 3.65Å; Q924-F980 HydrophobicContact CG-CE1 4.05Å; Q924-F980 HydrophobicContact CG-CE2 3.92Å; Q924-F980 HydrophobicContact CG-CG 3.58Å; Q924-F980 HydrophobicContact CG-CZ 4.1Å; F927-F980 AromaticContact CD1-CE1 3.55Å; F927-F980 HydrophobicContact CD1-CE1 3.55Å; F927-F980 AromaticContact CD1-CZ 3.75Å; F927-F980 HydrophobicContact CD1-CZ 3.75Å; F927-F980 AromaticContact CE1-CE1 3.91Å; F927-F980 HydrophobicContact CE1-CE1 3.91Å; F927-F980 HydrophobicContact CE1-CZ 4.32Å; F927-F980 HydrophobicContact CG-CE1 4.31Å; N928-F980 WeakPolarHBondContact OD1-CZ 3.35Å; D976-F980 WeakPolarHBondContact O-CB 3.44Å; D976-F980 PolarHBondContact O-N 2.63Å; I978-F980 VanDerWaalsContact C-N 3.3Å; I978-F980 PolarHBondContact O-N 3.07Å; F980-F982 PolarHBondContact O-N 3.23Å; F980-K983 WeakPolarHBondContact O-CB 3.33Å; F980-K983 PolarHBondContact O-N 3.22Å; F980-N996 HydrophobicContact CD1-CB 4.34Å; F980-N996 HydrophobicContact CE1-CB 4.12Å; F980-N996 WeakPolarHBondContact O-CB 3.44Å; F980-N996 PolarHBondContact O-ND2 3.47Å; F980-F999 HydrophobicContact CD1-CB 4.04Å; F980-F999 AromaticContact CD1-CD1 3.64Å; F980-F999 HydrophobicContact CD1-CD1 3.64Å; F980-F999 HydrophobicContact CD1-CD2 4.05Å; F980-F999 HydrophobicContact CD1-CE1 4.06Å; F980-F999 HydrophobicContact CD1-CE2 4.44Å; F980-F999 AromaticContact CD1-CG 3.63Å; F980-F999 HydrophobicContact CD1-CG 3.63Å; F980-F999 HydrophobicContact CD1-CZ 4.44Å; F980-F999 HydrophobicContact CE1-CB 4.06Å; F980-F999 HydrophobicContact CE1-CD1 4.24Å; F980-F999 AromaticContact CE1-CD2 3.8Å; F980-F999 HydrophobicContact CE1-CD2 3.8Å; F980-F999 HydrophobicContact CE1-CE2 4.3Å; F980-F999 AromaticContact CE1-CG 3.77Å; F980-F999 HydrophobicContact CE1-CG 3.77Å
981	A	96	Very high	89.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-24.9	-178.7	0	0	0	0	0	113.7	G977 I978 N996 F999 L1000	G977-A981 WeakPolarHBondContact O-CB 3.28Å; G977-A981 PolarHBondContact O-N 2.75Å; G977-A981 VanDerWaalsContact O-N 3.14Å; I978-A981 PolarHBondContact O-N 2.91Å; I978-A981 VanDerWaalsContact O-N 3.1Å; A981-N996 CarbonylContact O-C 3.55Å; A981-F999 HydrophobicContact CB-CB 4.49Å; A981-L1000 HydrophobicContact CB-CD2 3.6Å; A981-L1000 HydrophobicContact CB-CG 3.82Å
982	F	94.1	Very high	89.1	Confident	27 Å²	27	58.7 Å²	58.7	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-109.5	4.9	177.6	-63.9	-73.2	0	0	0	114.2	I978 E979 F980 E984 P994 L997 L1000 L1022 F1025 M1030 L1041	I978-F982 HydrophobicContact CG2-CD2 3.95Å; I978-F982 HydrophobicContact CG2-CE2 4.19Å; I978-F982 VanDerWaalsContact O-CD2 3.26Å; I978-F982 WeakPolarHBondContact O-CD2 3.23Å; I978-F982 PolarHBondContact O-N 2.75Å; I978-F982 VanDerWaalsContact O-N 3.15Å; E979-F982 PolarHBondContact O-N 2.69Å; F980-F982 PolarHBondContact O-N 3.23Å; F982-E984 PolarHBondContact O-N 3.26Å; F982-P994 HydrophobicContact CD1-CB 4.34Å; F982-P994 HydrophobicContact CD1-CG 3.79Å; F982-P994 HydrophobicContact CE1-CG 4.05Å; F982-L997 HydrophobicContact CE1-CD1 3.75Å; F982-L997 HydrophobicContact CZ-CD1 3.91Å; F982-L1000 HydrophobicContact CE2-CD1 4.25Å; F982-L1000 HydrophobicContact CZ-CD1 4.1Å; F982-L1022 HydrophobicContact CE2-CD1 3.52Å; F982-L1022 HydrophobicContact CZ-CD1 4Å; F982-F1025 HydrophobicContact CB-CB 4.04Å; F982-F1025 HydrophobicContact CB-CD1 3.91Å; F982-F1025 HydrophobicContact CB-CG 4.3Å; F982-F1025 HydrophobicContact CD1-CB 4.29Å; F982-F1025 HydrophobicContact CD2-CB 3.52Å; F982-F1025 HydrophobicContact CD2-CD1 4.49Å; F982-F1025 HydrophobicContact CD2-CG 4.09Å; F982-F1025 HydrophobicContact CE2-CB 4.08Å; F982-F1025 HydrophobicContact CG-CB 3.67Å; F982-F1025 HydrophobicContact CG-CD1 4.44Å; F982-F1025 HydrophobicContact CG-CG 4.35Å; F982-M1030 HydrophobicContact CD1-CE 4.14Å; F982-M1030 HydrophobicContact CE1-CE 3.6Å; F982-L1041 HydrophobicContact CZ-CD1 4.21Å
983	K	93.5	Very high	88.6	Confident	135 Å²	135	57.5 Å²	57.5	59%	0.587	31%	0.305	S	S	*	.	S	Bend	trans	-57.8	-50.6	-175.9	-174.1	-168.2	172.6	-157.1	0	112.9	E979 F980	E979-K983 WeakPolarHBondContact O-CA 3.48Å; E979-K983 WeakPolarHBondContact O-CB 3.36Å; E979-K983 PolarHBondContact O-N 3.39Å; F980-K983 WeakPolarHBondContact O-CB 3.33Å; F980-K983 PolarHBondContact O-N 3.22Å
984	E	89.2	Confident	88.3	Confident	76 Å²	76	58.3 Å²	58.3	36%	0.355	31%	0.31	S	S	.	.	S	Bend	trans	-107.2	109.4	-175.3	-55.6	-58.6	155.6	0	0	110.3	F982 L995	F982-E984 PolarHBondContact O-N 3.26Å; E984-L995 HydrophobicContact CB-CB 4.25Å; E984-L995 HydrophobicContact CB-CD1 4.07Å; E984-L995 HydrophobicContact CB-CG 4.41Å; E984-L995 PolarHBondContact O-N 3.01Å; E984-L995 VanDerWaalsContact O-N 3.11Å
985	P	87.7	Confident	87.9	Confident	96 Å²	96	60 Å²	60	62%	0.623	32%	0.319	S	S	*	.			trans	-72.4	155.7	177.4	31.5	-35.2	0	0	0	111	P987	P985-P987 WeakPolarHBondContact O-CD 3.38Å
986	N	86.8	Confident	87.8	Confident	31 Å²	31	57 Å²	57	17%	0.166	31%	0.306	C	S	.	.			trans	-72.1	126.5	-179.6	-159.2	-58.6	0	0	0	111.5	Q988 G989 H992 P993 L995	N986-Q988 PolarHBondContact O-N 3.22Å; N986-Q988 VanDerWaalsContact O-N 3.1Å; N986-Q988 WeakPolarHBondContact OD1-CB 3.42Å; N986-Q988 PolarHBondContact OD1-N 3.25Å; N986-G989 PolarHBondContact O-N 3.22Å; N986-H992 HydrophobicContact CB-CB 3.85Å; N986-H992 VanDerWaalsContact CG-CB 3.47Å; N986-P993 WeakPolarHBondContact CB-O 3.39Å; N986-P993 PolarHBondContact ND2-O 3.47Å; N986-L995 HydrophobicContact CB-CD2 4.49Å
987	P	86.3	Confident	87.7	Confident	118 Å²	118	55.6 Å²	55.6	77%	0.766	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.6	176.7	-25.7	35.9	0	0	0	114.7	P985 G989	P985-P987 WeakPolarHBondContact O-CD 3.38Å; P987-G989 PolarHBondContact O-N 3.45Å
988	Q	80.4	Confident	87.5	Confident	138 Å²	138	56.2 Å²	56.2	65%	0.645	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	1.5	174.3	-58.1	179.9	-7	0	0	112.8	N986 H992	N986-Q988 PolarHBondContact O-N 3.22Å; N986-Q988 VanDerWaalsContact O-N 3.1Å; N986-Q988 WeakPolarHBondContact OD1-CB 3.42Å; N986-Q988 PolarHBondContact OD1-N 3.25Å; Q988-H992 HydrophobicContact CB-CB 4.32Å; Q988-H992 PolarHBondContact O-CD2 3.21Å; Q988-H992 PolarHBondContact OE1-CE1 3.31Å; Q988-H992 PolarHBondContact OE1-ND1 2.85Å
989	G	74	Confident	87.5	Confident	35 Å²	35	56.2 Å²	56.2	36%	0.361	30%	0.304	S	S	.	.			trans	92.7	176.5	173	0	0	0	0	0	114.7	N986 P987 S991 H992	N986-G989 PolarHBondContact O-N 3.22Å; P987-G989 PolarHBondContact O-N 3.45Å; G989-S991 PolarHBondContact O-N 3.48Å; G989-H992 PolarHBondContact O-N 2.92Å
990	E	66.4	Low	87.5	Confident	183 Å²	183	52.5 Å²	52.5	86%	0.855	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-9.4	-172.8	-60.4	175.1	-161.8	0	0	115.8	H992	E990-H992 VanDerWaalsContact C-N 3.35Å
991	S	68.6	Low	87.4	Confident	71 Å²	71	52.4 Å²	52.4	50%	0.497	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.6	174.1	-75.2	0	0	0	0	114.4	G989 R1033	G989-S991 PolarHBondContact O-N 3.48Å; S991-R1033 VanDerWaalsContact CA-NH2 3.31Å; S991-R1033 PolarHBondContact O-NH1 3.42Å; S991-R1033 PolarHBondContact O-NH2 3.38Å; S991-R1033 VanDerWaalsContact O-NH2 3.09Å; S991-R1033 PolarHBondContact OG-NH2 3.32Å
992	H	80.1	Confident	87.4	Confident	76 Å²	76	52.4 Å²	52.4	35%	0.352	29%	0.287	S	S	.	.	S	Bend	trans	-113.2	149.6	-179.5	-65.9	-106.2	0	0	0	110.6	N986 Q988 G989 E990	N986-H992 HydrophobicContact CB-CB 3.85Å; N986-H992 VanDerWaalsContact CG-CB 3.47Å; Q988-H992 HydrophobicContact CB-CB 4.32Å; Q988-H992 PolarHBondContact O-CD2 3.21Å; Q988-H992 PolarHBondContact OE1-CE1 3.31Å; Q988-H992 PolarHBondContact OE1-ND1 2.85Å; G989-H992 PolarHBondContact O-N 2.92Å; E990-H992 VanDerWaalsContact C-N 3.35Å
993	P	84.9	Confident	87.6	Confident	25 Å²	25	51.1 Å²	51.1	16%	0.162	28%	0.281	C	S	.	.			trans	-64.9	141.9	179.6	25.5	-32.8	0	0	0	111.8	N986 L997 V1037 W1038	N986-P993 WeakPolarHBondContact CB-O 3.39Å; N986-P993 PolarHBondContact ND2-O 3.47Å; P993-L997 HydrophobicContact CB-CB 4.46Å; P993-L997 HydrophobicContact CB-CD2 3.62Å; P993-V1037 HydrophobicContact CG-CB 4.28Å; P993-V1037 HydrophobicContact CG-CG1 3.7Å; P993-W1038 HydrophobicContact CB-CD2 4.28Å; P993-W1038 HydrophobicContact CB-CE3 4.44Å; P993-W1038 HydrophobicContact CB-CH2 4.13Å; P993-W1038 HydrophobicContact CB-CZ2 3.95Å; P993-W1038 HydrophobicContact CB-CZ3 4.36Å
994	P	88.8	Confident	87.7	Confident	17 Å²	17	45.6 Å²	45.6	11%	0.11	26%	0.259	C	S	.	.			trans	-50.8	147.4	170.6	-26.1	34	0	0	0	111.9	F982 N996 L997 M1030	F982-P994 HydrophobicContact CD1-CB 4.34Å; F982-P994 HydrophobicContact CD1-CG 3.79Å; F982-P994 HydrophobicContact CE1-CG 4.05Å; P994-N996 PolarHBondContact O-N 3.13Å; P994-N996 VanDerWaalsContact O-N 3.16Å; P994-L997 HydrophobicContact CG-CD1 4.5Å; P994-L997 VanDerWaalsContact O-CB 3.31Å; P994-L997 WeakPolarHBondContact O-CB 3.28Å; P994-L997 PolarHBondContact O-N 2.82Å; P994-L997 VanDerWaalsContact O-N 3.09Å; P994-M1030 HydrophobicContact CG-CE 3.88Å
995	L	89.3	Confident	88	Confident	37 Å²	37	44.1 Å²	44.1	19%	0.194	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.9	-168.8	-61.5	-175.3	0	0	0	112.9	Y936 E984 N986	Y936-L995 HydrophobicContact CD1-CB 3.74Å; Y936-L995 HydrophobicContact CD1-CD2 4.48Å; Y936-L995 HydrophobicContact CD1-CG 4.5Å; Y936-L995 HydrophobicContact CE1-CB 3.62Å; Y936-L995 HydrophobicContact CE1-CD1 4.18Å; Y936-L995 HydrophobicContact CE1-CG 4.41Å; Y936-L995 HydrophobicContact CE2-CD1 4.17Å; Y936-L995 HydrophobicContact CG-CB 4.45Å; Y936-L995 HydrophobicContact CG-CD2 4.37Å; E984-L995 HydrophobicContact CB-CB 4.25Å; E984-L995 HydrophobicContact CB-CD1 4.07Å; E984-L995 HydrophobicContact CB-CG 4.41Å; E984-L995 PolarHBondContact O-N 3.01Å; E984-L995 VanDerWaalsContact O-N 3.11Å; N986-L995 HydrophobicContact CB-CD2 4.49Å
996	N	94	Very high	88.3	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	10.6	-178.3	-63.9	-4.8	0	0	0	113.8	F927 F980 A981 P994 A998 F999	F927-N996 HydrophobicContact CE1-CB 4.03Å; F980-N996 HydrophobicContact CD1-CB 4.34Å; F980-N996 HydrophobicContact CE1-CB 4.12Å; F980-N996 WeakPolarHBondContact O-CB 3.44Å; F980-N996 PolarHBondContact O-ND2 3.47Å; A981-N996 CarbonylContact O-C 3.55Å; P994-N996 PolarHBondContact O-N 3.13Å; P994-N996 VanDerWaalsContact O-N 3.16Å; N996-A998 PolarHBondContact O-N 3.35Å; N996-A998 VanDerWaalsContact O-N 3.09Å; N996-F999 VanDerWaalsContact O-CB 3.25Å; N996-F999 WeakPolarHBondContact O-CB 3.25Å; N996-F999 PolarHBondContact O-N 2.93Å
997	L	93.4	Very high	88.6	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.8	-170.5	-169.1	69.8	0	0	0	113.5	F982 P993 P994 F999 L1000 W1038 P1040 L1041	F982-L997 HydrophobicContact CE1-CD1 3.75Å; F982-L997 HydrophobicContact CZ-CD1 3.91Å; P993-L997 HydrophobicContact CB-CB 4.46Å; P993-L997 HydrophobicContact CB-CD2 3.62Å; P994-L997 HydrophobicContact CG-CD1 4.5Å; P994-L997 VanDerWaalsContact O-CB 3.31Å; P994-L997 WeakPolarHBondContact O-CB 3.28Å; P994-L997 PolarHBondContact O-N 2.82Å; P994-L997 VanDerWaalsContact O-N 3.09Å; L997-F999 PolarHBondContact O-N 3.29Å; L997-L1000 HydrophobicContact CD1-CD1 3.88Å; L997-L1000 WeakPolarHBondContact O-CB 3.5Å; L997-L1000 WeakPolarHBondContact O-CG 3.22Å; L997-L1000 PolarHBondContact O-N 3.41Å; L997-W1038 HydrophobicContact CD2-CD2 4.31Å; L997-W1038 HydrophobicContact CD2-CE3 3.71Å; L997-W1038 HydrophobicContact CD2-CZ3 4.08Å; L997-P1040 WeakPolarHBondContact O-CB 3.44Å; L997-L1041 HydrophobicContact CD1-CB 4.23Å
998	A	94.1	Very high	88.7	Confident	14 Å²	14	36.3 Å²	36.3	12%	0.116	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.2	177.3	0	0	0	0	0	114.1	F927 F938 R940 N996 L1000 D1001 P1040	F927-A998 HydrophobicContact CE2-CB 4.07Å; F927-A998 HydrophobicContact CZ-CB 4.18Å; F938-A998 HydrophobicContact CE1-CB 4.45Å; F938-A998 HydrophobicContact CE2-CB 4.44Å; F938-A998 HydrophobicContact CZ-CB 3.65Å; R940-A998 HydrophobicContact CG-CB 4.45Å; N996-A998 PolarHBondContact O-N 3.35Å; N996-A998 VanDerWaalsContact O-N 3.09Å; A998-L1000 PolarHBondContact O-N 2.92Å; A998-L1000 VanDerWaalsContact O-N 3.12Å; A998-D1001 PolarHBondContact O-N 3.21Å; A998-P1040 HydrophobicContact CB-CG 4.48Å
999	F	96.8	Very high	89.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-22.3	174.9	-167.5	-103.7	0	0	0	112.7	I920 L923 Q924 F927 F980 A981 N996 L997 D1001 I1002 L1003	I920-F999 HydrophobicContact CD1-CE1 3.79Å; I920-F999 HydrophobicContact CD1-CZ 3.63Å; I920-F999 HydrophobicContact CG1-CE1 4.1Å; I920-F999 HydrophobicContact CG1-CZ 4.05Å; L923-F999 HydrophobicContact CB-CE2 4.01Å; L923-F999 HydrophobicContact CB-CZ 4.04Å; Q924-F999 HydrophobicContact CG-CE1 4.1Å; Q924-F999 HydrophobicContact CG-CE2 4.05Å; Q924-F999 HydrophobicContact CG-CZ 3.6Å; F927-F999 HydrophobicContact CB-CD2 3.96Å; F927-F999 HydrophobicContact CB-CE2 4.24Å; F927-F999 HydrophobicContact CD1-CD2 4.27Å; F927-F999 HydrophobicContact CD2-CB 4.38Å; F927-F999 AromaticContact CD2-CD2 3.89Å; F927-F999 HydrophobicContact CD2-CD2 3.89Å; F927-F999 HydrophobicContact CE1-CB 4.29Å; F927-F999 HydrophobicContact CE2-CB 4.07Å; F927-F999 HydrophobicContact CE2-CD2 4.43Å; F927-F999 AromaticContact CG-CD2 3.79Å; F927-F999 HydrophobicContact CG-CD2 3.79Å; F927-F999 HydrophobicContact CZ-CB 4.02Å; F980-F999 HydrophobicContact CD1-CB 4.04Å; F980-F999 AromaticContact CD1-CD1 3.64Å; F980-F999 HydrophobicContact CD1-CD1 3.64Å; F980-F999 HydrophobicContact CD1-CD2 4.05Å; F980-F999 HydrophobicContact CD1-CE1 4.06Å; F980-F999 HydrophobicContact CD1-CE2 4.44Å; F980-F999 AromaticContact CD1-CG 3.63Å; F980-F999 HydrophobicContact CD1-CG 3.63Å; F980-F999 HydrophobicContact CD1-CZ 4.44Å; F980-F999 HydrophobicContact CE1-CB 4.06Å; F980-F999 HydrophobicContact CE1-CD1 4.24Å; F980-F999 AromaticContact CE1-CD2 3.8Å; F980-F999 HydrophobicContact CE1-CD2 3.8Å; F980-F999 HydrophobicContact CE1-CE2 4.3Å; F980-F999 AromaticContact CE1-CG 3.77Å; F980-F999 HydrophobicContact CE1-CG 3.77Å; A981-F999 HydrophobicContact CB-CB 4.49Å; N996-F999 VanDerWaalsContact O-CB 3.25Å; N996-F999 WeakPolarHBondContact O-CB 3.25Å; N996-F999 PolarHBondContact O-N 2.93Å; L997-F999 PolarHBondContact O-N 3.29Å; F999-D1001 VanDerWaalsContact C-N 3.29Å; F999-D1001 PolarHBondContact O-N 2.88Å; F999-I1002 HydrophobicContact CD2-CD1 3.93Å; F999-I1002 HydrophobicContact CE2-CD1 4.31Å; F999-I1002 WeakPolarHBondContact O-CB 3.27Å; F999-I1002 PolarHBondContact O-N 2.74Å; F999-I1002 VanDerWaalsContact O-N 3.15Å; F999-L1003 PolarHBondContact O-N 3.48Å
1000	L	96.4	Very high	89.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-26.4	175.2	-61.4	-178.3	0	0	0	113.6	A981 F982 L997 A998 I1002 L1003 S1004 P1040 L1041 Y1044	A981-L1000 HydrophobicContact CB-CD2 3.6Å; A981-L1000 HydrophobicContact CB-CG 3.82Å; F982-L1000 HydrophobicContact CE2-CD1 4.25Å; F982-L1000 HydrophobicContact CZ-CD1 4.1Å; L997-L1000 HydrophobicContact CD1-CD1 3.88Å; L997-L1000 WeakPolarHBondContact O-CB 3.5Å; L997-L1000 WeakPolarHBondContact O-CG 3.22Å; L997-L1000 PolarHBondContact O-N 3.41Å; A998-L1000 PolarHBondContact O-N 2.92Å; A998-L1000 VanDerWaalsContact O-N 3.12Å; L1000-I1002 VanDerWaalsContact C-N 3.35Å; L1000-L1003 HydrophobicContact CD2-CD2 3.98Å; L1000-S1004 WeakPolarHBondContact O-CB 3.42Å; L1000-S1004 PolarHBondContact O-N 2.88Å; L1000-P1040 HydrophobicContact CB-CB 4.18Å; L1000-L1041 HydrophobicContact CD1-CB 4.28Å; L1000-L1041 HydrophobicContact CD1-CD1 3.83Å; L1000-Y1044 HydrophobicContact CB-CD1 4.38Å; L1000-Y1044 HydrophobicContact CB-CG 4.25Å; L1000-Y1044 HydrophobicContact CD1-CD1 4.27Å; L1000-Y1044 HydrophobicContact CD2-CD1 3.85Å; L1000-Y1044 HydrophobicContact CD2-CE1 4.05Å; L1000-Y1044 HydrophobicContact CD2-CG 4.43Å; L1000-Y1044 HydrophobicContact CG-CD1 4.4Å
1001	D	94.9	Very high	90.9	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-68.9	-34.3	172.7	-85.6	-36.3	0	0	0	111.1	R940 F945 A998 F999 S1004 P1040	R940-D1001 IonicContact CZ-OD2 2.74Å; R940-D1001 IonicContact NH1-OD2 3.43Å; R940-D1001 PolarHBondContact NH1-OD2 2.86Å; F945-D1001 HydrophobicContact CE1-CB 4.24Å; F945-D1001 HydrophobicContact CZ-CB 4.02Å; A998-D1001 PolarHBondContact O-N 3.21Å; F999-D1001 VanDerWaalsContact C-N 3.29Å; F999-D1001 PolarHBondContact O-N 2.88Å; D1001-S1004 PolarHBondContact O-OG 3.33Å; D1001-P1040 HydrophobicContact CB-CB 4.41Å; D1001-P1040 WeakPolarHBondContact OD2-CG 3.25Å
1002	I	96.8	Very high	91.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.6	-46.8	173.3	-61.3	163.4	0	0	0	109.9	L923 F927 F945 I948 A952 F999 L1000 S1004 E1005	L923-I1002 HydrophobicContact CD1-CG2 4.23Å; L923-I1002 HydrophobicContact CD2-CG2 4.5Å; F927-I1002 HydrophobicContact CD2-CD1 3.8Å; F927-I1002 HydrophobicContact CE2-CD1 4.45Å; F945-I1002 HydrophobicContact CD2-CD1 4.19Å; F945-I1002 HydrophobicContact CE2-CD1 3.56Å; F945-I1002 HydrophobicContact CE2-CG1 3.83Å; F945-I1002 HydrophobicContact CZ-CD1 4.13Å; F945-I1002 HydrophobicContact CZ-CG1 3.86Å; I948-I1002 HydrophobicContact CB-CD1 4.36Å; I948-I1002 HydrophobicContact CG2-CD1 3.69Å; I948-I1002 HydrophobicContact CG2-CG1 4.36Å; I948-I1002 HydrophobicContact CG2-CG2 4.33Å; A952-I1002 HydrophobicContact CB-CG2 3.48Å; A952-I1002 VanDerWaalsContact CB-CG2 3.48Å; F999-I1002 HydrophobicContact CD2-CD1 3.93Å; F999-I1002 HydrophobicContact CE2-CD1 4.31Å; F999-I1002 WeakPolarHBondContact O-CB 3.27Å; F999-I1002 PolarHBondContact O-N 2.74Å; F999-I1002 VanDerWaalsContact O-N 3.15Å; L1000-I1002 VanDerWaalsContact C-N 3.35Å; I1002-S1004 PolarHBondContact O-N 2.6Å; I1002-E1005 PolarHBondContact O-N 3.27Å
1003	L	97.1	Very high	92	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-23.4	178.6	-168.9	61.9	0	0	0	112.8	I920 L973 H974 I978 F999 L1000 E1005 F1006 Y1044	I920-L1003 HydrophobicContact CD1-CD1 3.91Å; L973-L1003 HydrophobicContact CD2-CD1 3.81Å; H974-L1003 PolarHBondContact CE1-O 2.9Å; H974-L1003 VanDerWaalsContact CE1-O 3.3Å; H974-L1003 WeakPolarHBondContact ND1-CG 3.41Å; I978-L1003 HydrophobicContact CG1-CD2 4.23Å; F999-L1003 PolarHBondContact O-N 3.48Å; L1000-L1003 HydrophobicContact CD2-CD2 3.98Å; L1003-E1005 VanDerWaalsContact C-N 3.28Å; L1003-E1005 PolarHBondContact O-N 3.04Å; L1003-F1006 HydrophobicContact CD1-CD2 4.42Å; L1003-F1006 PolarHBondContact O-N 3.31Å; L1003-Y1044 HydrophobicContact CB-CE2 4.41Å; L1003-Y1044 HydrophobicContact CD2-CE1 4.21Å; L1003-Y1044 HydrophobicContact CD2-CE2 4.01Å; L1003-Y1044 HydrophobicContact CG-CE2 3.92Å
1004	S	95.9	Very high	92.2	Very high	18 Å²	18	28.1 Å²	28.1	13%	0.126	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62	-30.7	179.3	78.4	0	0	0	0	113.7	L1000 D1001 I1002 F1006 S1007	L1000-S1004 WeakPolarHBondContact O-CB 3.42Å; L1000-S1004 PolarHBondContact O-N 2.88Å; D1001-S1004 PolarHBondContact O-OG 3.33Å; I1002-S1004 PolarHBondContact O-N 2.6Å; S1004-F1006 VanDerWaalsContact C-N 3.3Å; S1004-F1006 PolarHBondContact O-N 3.45Å; S1004-S1007 WeakPolarHBondContact O-CB 3.46Å; S1004-S1007 PolarHBondContact O-N 2.88Å; S1004-S1007 PolarHBondContact O-OG 3.25Å
1005	E	95.5	Very high	92.3	Very high	46 Å²	46	29 Å²	29	22%	0.215	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-60	-39.3	179.8	-64.8	-58.7	133.9	0	0	112.2	K949 R953 I1002 L1003 S1007 S1008	K949-E1005 WeakPolarHBondContact CE-OE1 3.37Å; K949-E1005 HydrophobicContact CG-CG 4Å; K949-E1005 IonicContact NZ-OE1 2.66Å; K949-E1005 PolarHBondContact NZ-OE1 3.09Å; R953-E1005 HydrophobicContact CB-CB 4.36Å; R953-E1005 HydrophobicContact CB-CG 4.18Å; R953-E1005 WeakPolarHBondContact CG-OE2 3.47Å; I1002-E1005 PolarHBondContact O-N 3.27Å; L1003-E1005 VanDerWaalsContact C-N 3.28Å; L1003-E1005 PolarHBondContact O-N 3.04Å; E1005-S1007 VanDerWaalsContact C-N 3.29Å; E1005-S1007 PolarHBondContact O-N 3.5Å; E1005-S1008 PolarHBondContact O-OG 3.45Å
1006	F	94.7	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69.6	-22.8	177.8	-62.7	-86.5	0	0	0	113.6	I920 L923 A952 F955 A956 F959 L973 L1003 S1004 S1008 K1009	I920-F1006 HydrophobicContact CD1-CE2 4.37Å; L923-F1006 HydrophobicContact CD1-CE2 3.65Å; L923-F1006 HydrophobicContact CD1-CZ 3.71Å; A952-F1006 HydrophobicContact CB-CE2 3.76Å; A952-F1006 HydrophobicContact CB-CZ 4.21Å; A952-F1006 WeakPolarHBondContact O-CZ 3.33Å; F955-F1006 HydrophobicContact CB-CE1 3.83Å; F955-F1006 HydrophobicContact CB-CZ 3.77Å; A956-F1006 HydrophobicContact CB-CD1 3.66Å; A956-F1006 HydrophobicContact CB-CE1 4.01Å; A956-F1006 HydrophobicContact CB-CG 4.19Å; F959-F1006 HydrophobicContact CE2-CD1 4.16Å; F959-F1006 HydrophobicContact CE2-CE1 4.12Å; L973-F1006 HydrophobicContact CD1-CD1 3.81Å; L973-F1006 HydrophobicContact CD1-CE1 3.68Å; L973-F1006 HydrophobicContact CD1-CG 4.35Å; L973-F1006 HydrophobicContact CD1-CZ 4.1Å; L973-F1006 HydrophobicContact CD2-CB 3.72Å; L973-F1006 HydrophobicContact CD2-CD1 3.78Å; L973-F1006 HydrophobicContact CD2-CD2 3.84Å; L973-F1006 HydrophobicContact CD2-CE1 4.33Å; L973-F1006 HydrophobicContact CD2-CE2 4.36Å; L973-F1006 HydrophobicContact CD2-CG 3.51Å; L1003-F1006 HydrophobicContact CD1-CD2 4.42Å; L1003-F1006 PolarHBondContact O-N 3.31Å; S1004-F1006 VanDerWaalsContact C-N 3.3Å; S1004-F1006 PolarHBondContact O-N 3.45Å; F1006-S1008 PolarHBondContact O-N 3.47Å; F1006-S1008 VanDerWaalsContact O-N 3.08Å; F1006-K1009 WeakPolarHBondContact O-CB 3.17Å; F1006-K1009 PolarHBondContact O-N 3.34Å
1007	S	92.7	Very high	92.2	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-66.4	-15	-176.6	72.8	0	0	0	0	113.7	H974 S1004 E1005 K1009 K1015 S1047	H974-S1007 PolarHBondContact NE2-N 3.31Å; S1004-S1007 WeakPolarHBondContact O-CB 3.46Å; S1004-S1007 PolarHBondContact O-N 2.88Å; S1004-S1007 PolarHBondContact O-OG 3.25Å; E1005-S1007 VanDerWaalsContact C-N 3.29Å; E1005-S1007 PolarHBondContact O-N 3.5Å; S1007-K1009 PolarHBondContact O-N 2.92Å; S1007-K1015 VanDerWaalsContact O-CE 3.31Å; S1007-K1015 WeakPolarHBondContact O-CE 3.37Å; S1007-S1047 WeakPolarHBondContact CB-OG 3.26Å; S1007-S1047 WeakPolarHBondContact OG-CB 3.38Å; S1007-S1047 PolarHBondContact OG-OG 3.25Å
1008	S	88.9	Confident	92.3	Very high	76 Å²	76	40.1 Å²	40.1	53%	0.531	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-65.3	-22.8	168.7	64.3	0	0	0	0	113.8	E1005 F1006	E1005-S1008 PolarHBondContact O-OG 3.45Å; F1006-S1008 PolarHBondContact O-N 3.47Å; F1006-S1008 VanDerWaalsContact O-N 3.08Å
1009	K	90.1	Very high	92.3	Very high	28 Å²	28	40.8 Å²	40.8	12%	0.122	19%	0.192	C	C	.	.	S	Bend	trans	-99.2	-10.2	-178	-59.6	-64.5	-173.1	171.8	0	113.9	A956 G960 I970 F1006 S1007	A956-K1009 HydrophobicContact CB-CG 4.47Å; A956-K1009 WeakPolarHBondContact O-CE 3.35Å; G960-K1009 PolarHBondContact O-NZ 3.27Å; I970-K1009 HydrophobicContact CD1-CB 3.82Å; I970-K1009 HydrophobicContact CG2-CB 4.42Å; F1006-K1009 WeakPolarHBondContact O-CB 3.17Å; F1006-K1009 PolarHBondContact O-N 3.34Å; S1007-K1009 PolarHBondContact O-N 2.92Å
1010	L	89	Confident	92.1	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	-69.9	133.3	172.1	-77.9	173.4	0	0	0	111.4	I970 H974 D1014 K1015 V1018 L1048	I970-L1010 HydrophobicContact CB-CD2 4.49Å; I970-L1010 HydrophobicContact CG2-CD2 3.76Å; I970-L1010 HydrophobicContact CG2-CG 3.94Å; H974-L1010 VanDerWaalsContact CD2-CD1 3.45Å; H974-L1010 WeakPolarHBondContact CD2-CD1 3.46Å; L1010-D1014 HydrophobicContact CD2-CB 4Å; L1010-K1015 HydrophobicContact CB-CG 3.67Å; L1010-K1015 HydrophobicContact CD1-CG 4.18Å; L1010-V1018 HydrophobicContact CD1-CB 4.26Å; L1010-V1018 HydrophobicContact CD1-CG1 4.41Å; L1010-V1018 HydrophobicContact CD1-CG2 3.99Å; L1010-V1018 HydrophobicContact CD2-CG2 4.13Å; L1010-L1048 HydrophobicContact CD1-CD2 3.55Å
1011	L	86.2	Confident	92	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.173	22%	0.224	C	C	.	.			trans	-66.1	152.7	168.8	-59.3	78.5	0	0	0	110.1	Q963 L964 R967 Q1013 D1014 K1015	Q963-L1011 HydrophobicContact CB-CD1 3.75Å; Q963-L1011 HydrophobicContact CB-CG 4Å; L964-L1011 HydrophobicContact CD1-CD2 4.15Å; R967-L1011 HydrophobicContact CB-CD1 3.92Å; R967-L1011 HydrophobicContact CG-CD1 3.95Å; L1011-Q1013 PolarHBondContact O-N 3.27Å; L1011-Q1013 VanDerWaalsContact O-N 3.07Å; L1011-D1014 PolarHBondContact O-N 2.95Å; L1011-K1015 PolarHBondContact O-N 3.24Å
1012	R	84.8	Confident	92	Very high	148 Å²	148	46.2 Å²	46.2	56%	0.558	22%	0.221	S	C	*	.	H	α-helix	trans	-51.1	-34.1	178.9	-167.2	180	-173.1	-173.9	3.5	113.9	G1051	R1012-G1051 PolarHBondContact NE-O 3.1Å; R1012-G1051 PolarHBondContact NH2-O 3.16Å
1013	Q	86.8	Confident	91.7	Very high	129 Å²	129	51 Å²	51	60%	0.603	24%	0.243	S	C	*	.	H	α-helix	trans	-70.6	-43.6	176.3	-166.9	-178.7	21.7	0	0	111.8	L1011 R1016 T1017	L1011-Q1013 PolarHBondContact O-N 3.27Å; L1011-Q1013 VanDerWaalsContact O-N 3.07Å; Q1013-R1016 WeakPolarHBondContact O-CB 3.33Å; Q1013-R1016 PolarHBondContact O-N 2.87Å; Q1013-T1017 PolarHBondContact O-N 3.5Å; Q1013-T1017 PolarHBondContact O-OG1 3.24Å
1014	D	89.4	Confident	91.6	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.064	27%	0.274	C	S	.	.	H	α-helix	trans	-78.7	-27.5	-174.9	-55.4	-66.1	0	0	0	112.8	R967 L1010 L1011 R1016 T1017 V1018	R967-D1014 WeakPolarHBondContact CG-OD2 3.44Å; R967-D1014 IonicContact CZ-OD1 3.3Å; R967-D1014 VanDerWaalsContact CZ-OD1 3.29Å; R967-D1014 IonicContact CZ-OD2 2.65Å; R967-D1014 VanDerWaalsContact CZ-OD2 3.3Å; R967-D1014 IonicContact NE-OD1 2.82Å; R967-D1014 PolarHBondContact NE-OD1 2.89Å; R967-D1014 IonicContact NE-OD2 2.75Å; R967-D1014 PolarHBondContact NE-OD2 3.49Å; R967-D1014 IonicContact NH2-OD1 3.23Å; R967-D1014 PolarHBondContact NH2-OD1 3.06Å; R967-D1014 IonicContact NH2-OD2 3.29Å; R967-D1014 PolarHBondContact NH2-OD2 3.33Å; L1010-D1014 HydrophobicContact CD2-CB 4Å; L1011-D1014 PolarHBondContact O-N 2.95Å; D1014-R1016 PolarHBondContact O-N 3.02Å; D1014-T1017 WeakPolarHBondContact O-CB 3.45Å; D1014-T1017 PolarHBondContact O-N 3.4Å; D1014-V1018 WeakPolarHBondContact O-CB 3.45Å; D1014-V1018 WeakPolarHBondContact O-CG2 3.4Å; D1014-V1018 PolarHBondContact O-N 3.18Å
1015	K	91.9	Very high	91.3	Very high	36 Å²	36	60.7 Å²	60.7	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-50.9	-42	166.1	-73.3	-168.3	175.9	-161.6	0	111.7	S1007 L1010 L1011 Y1019 S1047 L1048 A1050	S1007-K1015 VanDerWaalsContact O-CE 3.31Å; S1007-K1015 WeakPolarHBondContact O-CE 3.37Å; L1010-K1015 HydrophobicContact CB-CG 3.67Å; L1010-K1015 HydrophobicContact CD1-CG 4.18Å; L1011-K1015 PolarHBondContact O-N 3.24Å; K1015-Y1019 VanDerWaalsContact O-CB 3.26Å; K1015-Y1019 WeakPolarHBondContact O-CB 3.44Å; K1015-Y1019 PolarHBondContact O-N 3.43Å; K1015-S1047 WeakPolarHBondContact CE-O 3.32Å; K1015-S1047 PolarHBondContact NZ-O 3.31Å; K1015-L1048 HydrophobicContact CB-CD2 4.29Å; K1015-L1048 WeakPolarHBondContact CB-O 3.39Å; K1015-L1048 HydrophobicContact CG-CD2 4.27Å; K1015-A1050 PolarHBondContact NZ-O 3.19Å; K1015-A1050 VanDerWaalsContact NZ-O 3.11Å
1016	R	89.9	Confident	90.9	Very high	197 Å²	197	59.2 Å²	59.2	74%	0.743	28%	0.276	S	S	*	.	H	α-helix	trans	-68.2	-41.1	175.5	-164.4	-179.9	-168.8	173.9	6.7	112.1	Q1013 D1014 Y1019 V1020	Q1013-R1016 WeakPolarHBondContact O-CB 3.33Å; Q1013-R1016 PolarHBondContact O-N 2.87Å; D1014-R1016 PolarHBondContact O-N 3.02Å; R1016-Y1019 PolarHBondContact O-N 2.93Å; R1016-V1020 WeakPolarHBondContact O-CG2 3.48Å; R1016-V1020 PolarHBondContact O-N 2.89Å
1017	T	91.9	Very high	90.5	Very high	78 Å²	78	62.4 Å²	62.4	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-43.8	176.6	-52.4	0	0	0	0	112	Q1013 D1014 V1020 Y1021	Q1013-T1017 PolarHBondContact O-N 3.5Å; Q1013-T1017 PolarHBondContact O-OG1 3.24Å; D1014-T1017 WeakPolarHBondContact O-CB 3.45Å; D1014-T1017 PolarHBondContact O-N 3.4Å; T1017-V1020 PolarHBondContact O-N 3.18Å; T1017-Y1021 PolarHBondContact O-N 3.16Å
1018	V	94.4	Very high	89.9	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-40.5	176.3	171.9	0	0	0	0	110.9	H974 I978 L1010 D1014 Y1021 L1022 Y1044 L1048	H974-V1018 HydrophobicContact CB-CG1 3.78Å; H974-V1018 HydrophobicContact CB-CG2 3.97Å; I978-V1018 HydrophobicContact CD1-CG1 3.91Å; L1010-V1018 HydrophobicContact CD1-CB 4.26Å; L1010-V1018 HydrophobicContact CD1-CG1 4.41Å; L1010-V1018 HydrophobicContact CD1-CG2 3.99Å; L1010-V1018 HydrophobicContact CD2-CG2 4.13Å; D1014-V1018 WeakPolarHBondContact O-CB 3.45Å; D1014-V1018 WeakPolarHBondContact O-CG2 3.4Å; D1014-V1018 PolarHBondContact O-N 3.18Å; V1018-Y1021 WeakPolarHBondContact O-CA 3.47Å; V1018-Y1021 VanDerWaalsContact O-CB 3.31Å; V1018-Y1021 WeakPolarHBondContact O-CB 3.31Å; V1018-Y1021 PolarHBondContact O-N 2.98Å; V1018-Y1021 VanDerWaalsContact O-N 3.09Å; V1018-L1022 PolarHBondContact O-N 2.89Å; V1018-Y1044 VanDerWaalsContact CG1-OH 3.31Å; V1018-Y1044 WeakPolarHBondContact CG1-OH 3.45Å; V1018-L1048 HydrophobicContact CB-CD2 4.21Å; V1018-L1048 HydrophobicContact CG1-CD1 3.91Å; V1018-L1048 HydrophobicContact CG1-CD2 3.91Å
1019	Y	93.6	Very high	89.5	Confident	27 Å²	27	71.7 Å²	71.7	11%	0.106	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-42.7	174.6	-176.2	-87.8	0	0	0	112.3	K1015 R1016 Y1021 L1022 E1023 R1045 L1048 L1049	K1015-Y1019 VanDerWaalsContact O-CB 3.26Å; K1015-Y1019 WeakPolarHBondContact O-CB 3.44Å; K1015-Y1019 PolarHBondContact O-N 3.43Å; R1016-Y1019 PolarHBondContact O-N 2.93Å; Y1019-Y1021 PolarHBondContact O-N 2.94Å; Y1019-L1022 WeakPolarHBondContact O-CB 3.5Å; Y1019-L1022 PolarHBondContact O-N 3.47Å; Y1019-E1023 HydrophobicContact CD1-CG 4.32Å; Y1019-E1023 HydrophobicContact CE1-CG 3.81Å; Y1019-E1023 WeakPolarHBondContact CE1-OE1 3.38Å; Y1019-E1023 PolarHBondContact O-N 3.07Å; Y1019-E1023 PolarHBondContact OH-OE1 2.98Å; Y1019-R1045 HydrophobicContact CE2-CB 4.25Å; Y1019-R1045 HydrophobicContact CE2-CG 4.03Å; Y1019-R1045 PolarHBondContact OH-NH2 3.26Å; Y1019-L1048 HydrophobicContact CD2-CB 4.34Å; Y1019-L1048 HydrophobicContact CD2-CD1 4.45Å; Y1019-L1049 HydrophobicContact CD1-CD2 4.41Å; Y1019-L1049 HydrophobicContact CD2-CD1 4.38Å; Y1019-L1049 HydrophobicContact CD2-CD2 3.97Å; Y1019-L1049 HydrophobicContact CD2-CG 4Å; Y1019-L1049 HydrophobicContact CE1-CD2 4.43Å; Y1019-L1049 HydrophobicContact CE2-CD1 3.77Å; Y1019-L1049 HydrophobicContact CE2-CD2 4Å; Y1019-L1049 HydrophobicContact CE2-CG 3.91Å; Y1019-L1049 HydrophobicContact CG-CD2 4.23Å
1020	V	92.6	Very high	89.2	Confident	77 Å²	77	71.4 Å²	71.4	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-67.6	-22.2	172.9	171.2	0	0	0	0	112.4	R1016 T1017	R1016-V1020 WeakPolarHBondContact O-CG2 3.48Å; R1016-V1020 PolarHBondContact O-N 2.89Å; T1017-V1020 PolarHBondContact O-N 3.18Å
1021	Y	94.9	Very high	88.8	Confident	52 Å²	52	72.4 Å²	72.4	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-74.5	-45.9	169.8	-157.3	-104.2	0	0	0	111.5	K975 I978 E979 T1017 V1018 Y1019 E1023 K1024 F1025	K975-Y1021 HydrophobicContact CB-CD1 4.16Å; K975-Y1021 HydrophobicContact CB-CE1 3.73Å; K975-Y1021 HydrophobicContact CD-CE1 4.35Å; K975-Y1021 HydrophobicContact CD-CE2 4.31Å; K975-Y1021 HydrophobicContact CG-CD1 3.78Å; K975-Y1021 HydrophobicContact CG-CD2 4.43Å; K975-Y1021 HydrophobicContact CG-CE1 3.68Å; K975-Y1021 HydrophobicContact CG-CE2 4.36Å; K975-Y1021 HydrophobicContact CG-CG 4.14Å; I978-Y1021 HydrophobicContact CD1-CD1 4.4Å; I978-Y1021 HydrophobicContact CG2-CD1 4.41Å; E979-Y1021 HydrophobicContact CG-CE1 4.31Å; E979-Y1021 VanDerWaalsContact OE1-CE1 3.29Å; E979-Y1021 WeakPolarHBondContact OE1-CE1 3.49Å; E979-Y1021 VanDerWaalsContact OE1-CZ 3.29Å; E979-Y1021 PolarHBondContact OE1-OH 3.24Å; T1017-Y1021 PolarHBondContact O-N 3.16Å; V1018-Y1021 WeakPolarHBondContact O-CA 3.47Å; V1018-Y1021 VanDerWaalsContact O-CB 3.31Å; V1018-Y1021 WeakPolarHBondContact O-CB 3.31Å; V1018-Y1021 PolarHBondContact O-N 2.98Å; V1018-Y1021 VanDerWaalsContact O-N 3.09Å; Y1019-Y1021 PolarHBondContact O-N 2.94Å; Y1021-E1023 VanDerWaalsContact C-N 3.31Å; Y1021-E1023 PolarHBondContact O-N 3.05Å; Y1021-K1024 HydrophobicContact CD2-CD 4.36Å; Y1021-K1024 VanDerWaalsContact O-CB 3.31Å; Y1021-K1024 WeakPolarHBondContact O-CB 3.41Å; Y1021-K1024 WeakPolarHBondContact O-CG 3.42Å; Y1021-K1024 PolarHBondContact O-N 2.96Å; Y1021-K1024 VanDerWaalsContact O-N 3.09Å; Y1021-F1025 AromaticContact CD1-CE2 3.97Å; Y1021-F1025 HydrophobicContact CD1-CE2 3.97Å; Y1021-F1025 AromaticContact CE1-CE2 3.72Å; Y1021-F1025 HydrophobicContact CE1-CE2 3.72Å; Y1021-F1025 HydrophobicContact CE1-CZ 4.24Å; Y1021-F1025 WeakPolarHBondContact O-CD2 3.47Å
1022	L	94.6	Very high	88.5	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-56	-43	175.9	178.5	62.2	0	0	0	111.9	I978 F982 V1018 Y1019 K1024 F1025 M1026 L1041 Y1044 R1045 L1048	I978-L1022 HydrophobicContact CD1-CB 3.96Å; I978-L1022 HydrophobicContact CD1-CD1 4.38Å; I978-L1022 HydrophobicContact CG1-CD1 4.24Å; I978-L1022 HydrophobicContact CG2-CD1 4.21Å; F982-L1022 HydrophobicContact CE2-CD1 3.52Å; F982-L1022 HydrophobicContact CZ-CD1 4Å; V1018-L1022 PolarHBondContact O-N 2.89Å; Y1019-L1022 WeakPolarHBondContact O-CB 3.5Å; Y1019-L1022 PolarHBondContact O-N 3.47Å; L1022-K1024 PolarHBondContact O-N 3.1Å; L1022-F1025 PolarHBondContact O-N 2.78Å; L1022-M1026 HydrophobicContact CD2-SD 4.19Å; L1022-M1026 HydrophobicContact CG-CG 4.14Å; L1022-M1026 HydrophobicContact CG-SD 3.95Å; L1022-M1026 WeakPolarHBondContact O-CG 3.29Å; L1022-M1026 PolarHBondContact O-N 2.97Å; L1022-M1026 VanDerWaalsContact O-N 3.1Å; L1022-L1041 HydrophobicContact CD1-CD1 4.17Å; L1022-L1041 HydrophobicContact CD2-CD1 4.21Å; L1022-Y1044 HydrophobicContact CD1-CE1 4.47Å; L1022-Y1044 HydrophobicContact CD2-CD1 3.94Å; L1022-Y1044 HydrophobicContact CD2-CE1 4.06Å; L1022-R1045 HydrophobicContact CD2-CG 3.65Å; L1022-L1048 HydrophobicContact CD2-CD1 4.4Å
1023	E	91.9	Very high	88.3	Confident	99 Å²	99	70.7 Å²	70.7	46%	0.463	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-8.4	177.7	-74	-171.4	147.4	0	0	115	Y1019 Y1021 M1026	Y1019-E1023 HydrophobicContact CD1-CG 4.32Å; Y1019-E1023 HydrophobicContact CE1-CG 3.81Å; Y1019-E1023 WeakPolarHBondContact CE1-OE1 3.38Å; Y1019-E1023 PolarHBondContact O-N 3.07Å; Y1019-E1023 PolarHBondContact OH-OE1 2.98Å; Y1021-E1023 VanDerWaalsContact C-N 3.31Å; Y1021-E1023 PolarHBondContact O-N 3.05Å; E1023-M1026 HydrophobicContact CG-SD 4.47Å
1024	K	93.1	Very high	87.7	Confident	150 Å²	150	73.9 Å²	73.9	65%	0.652	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.7	169.1	-59	-179.8	179.6	-177.7	0	113.6	Y1021 L1022	Y1021-K1024 HydrophobicContact CD2-CD 4.36Å; Y1021-K1024 VanDerWaalsContact O-CB 3.31Å; Y1021-K1024 WeakPolarHBondContact O-CB 3.41Å; Y1021-K1024 WeakPolarHBondContact O-CG 3.42Å; Y1021-K1024 PolarHBondContact O-N 2.96Å; Y1021-K1024 VanDerWaalsContact O-N 3.09Å; L1022-K1024 PolarHBondContact O-N 3.1Å
1025	F	90.7	Very high	87.3	Confident	72 Å²	72	78.2 Å²	78.2	32%	0.316	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-37.1	-175.4	-61.4	-93.7	0	0	0	112.3	I978 E979 F982 Y1021 L1022	I978-F1025 HydrophobicContact CG2-CD2 3.6Å; I978-F1025 HydrophobicContact CG2-CE2 3.92Å; I978-F1025 HydrophobicContact CG2-CG 4.15Å; E979-F1025 HydrophobicContact CG-CE1 4.11Å; E979-F1025 HydrophobicContact CG-CE2 4.37Å; E979-F1025 HydrophobicContact CG-CZ 3.6Å; F982-F1025 HydrophobicContact CB-CB 4.04Å; F982-F1025 HydrophobicContact CB-CD1 3.91Å; F982-F1025 HydrophobicContact CB-CG 4.3Å; F982-F1025 HydrophobicContact CD1-CB 4.29Å; F982-F1025 HydrophobicContact CD2-CB 3.52Å; F982-F1025 HydrophobicContact CD2-CD1 4.49Å; F982-F1025 HydrophobicContact CD2-CG 4.09Å; F982-F1025 HydrophobicContact CE2-CB 4.08Å; F982-F1025 HydrophobicContact CG-CB 3.67Å; F982-F1025 HydrophobicContact CG-CD1 4.44Å; F982-F1025 HydrophobicContact CG-CG 4.35Å; Y1021-F1025 AromaticContact CD1-CE2 3.97Å; Y1021-F1025 HydrophobicContact CD1-CE2 3.97Å; Y1021-F1025 AromaticContact CE1-CE2 3.72Å; Y1021-F1025 HydrophobicContact CE1-CE2 3.72Å; Y1021-F1025 HydrophobicContact CE1-CZ 4.24Å; Y1021-F1025 WeakPolarHBondContact O-CD2 3.47Å; L1022-F1025 PolarHBondContact O-N 2.78Å
1026	M	87.4	Confident	86.5	Confident	15 Å²	15	82.4 Å²	82.4	7%	0.074	38%	0.383	C	S	.	.	S	Bend	trans	-82.4	127.3	176.8	58.7	167	-74.1	0	0	112.1	L1022 E1023 L1041 R1045	L1022-M1026 HydrophobicContact CD2-SD 4.19Å; L1022-M1026 HydrophobicContact CG-CG 4.14Å; L1022-M1026 HydrophobicContact CG-SD 3.95Å; L1022-M1026 WeakPolarHBondContact O-CG 3.29Å; L1022-M1026 PolarHBondContact O-N 2.97Å; L1022-M1026 VanDerWaalsContact O-N 3.1Å; E1023-M1026 HydrophobicContact CG-SD 4.47Å; M1026-L1041 HydrophobicContact CB-CD2 4.39Å; M1026-L1041 HydrophobicContact SD-CD1 4.28Å; M1026-R1045 HydrophobicContact SD-CG 4.33Å
1027	T	84.8	Confident	86.1	Confident	68 Å²	68	77.4 Å²	77.4	42%	0.417	38%	0.375	S	S	.	.			trans	-77.2	160.7	173.7	73.2	0	0	0	0	111.8	Q1029 M1030 S1031	T1027-Q1029 PolarHBondContact O-N 2.95Å; T1027-Q1029 PolarHBondContact OG1-N 3.29Å; T1027-M1030 HydrophobicContact CG2-SD 3.81Å; T1027-M1030 PolarHBondContact N-SD 2.83Å; T1027-M1030 WeakPolarHBondContact O-CB 3.39Å; T1027-M1030 PolarHBondContact O-N 2.94Å; T1027-M1030 VanDerWaalsContact O-N 3.13Å; T1027-M1030 VanDerWaalsContact OG1-CG 3.25Å; T1027-M1030 WeakPolarHBondContact OG1-CG 3.35Å; T1027-M1030 PolarHBondContact OG1-N 3.09Å; T1027-M1030 PolarHBondContact OG1-SD 3.43Å; T1027-M1030 VanDerWaalsContact OG1-SD 3.36Å; T1027-S1031 PolarHBondContact O-N 3.14Å
1028	F	80.6	Confident	85.9	Confident	160 Å²	160	73.9 Å²	73.9	70%	0.702	35%	0.352	S	S	*	.	H	α-helix	trans	-55.6	-37.1	172.8	-175.8	-104.6	0	0	0	112.3	S1031 L1032	F1028-S1031 WeakPolarHBondContact O-CB 3.37Å; F1028-S1031 PolarHBondContact O-N 3.04Å; F1028-S1031 PolarHBondContact O-OG 3.26Å; F1028-L1032 HydrophobicContact CD1-CD1 4.08Å; F1028-L1032 HydrophobicContact CE1-CD1 3.65Å; F1028-L1032 HydrophobicContact CE1-CG 4.45Å; F1028-L1032 HydrophobicContact CZ-CD1 4.13Å; F1028-L1032 PolarHBondContact O-N 3.27Å
1029	Q	80.6	Confident	85.7	Confident	116 Å²	116	77.3 Å²	77.3	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-38.4	178.3	-171.3	68.9	-12.7	0	0	112.2	T1027 S1031 L1032	T1027-Q1029 PolarHBondContact O-N 2.95Å; T1027-Q1029 PolarHBondContact OG1-N 3.29Å; Q1029-S1031 VanDerWaalsContact C-N 3.26Å; Q1029-S1031 PolarHBondContact O-N 3.14Å; Q1029-L1032 PolarHBondContact O-N 3.12Å
1030	M	84.4	Confident	85.7	Confident	21 Å²	21	76 Å²	76	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-33.9	172.8	-62.3	158.3	76.4	0	0	111.2	F982 P994 T1027 L1032 W1038 L1041	F982-M1030 HydrophobicContact CD1-CE 4.14Å; F982-M1030 HydrophobicContact CE1-CE 3.6Å; P994-M1030 HydrophobicContact CG-CE 3.88Å; T1027-M1030 HydrophobicContact CG2-SD 3.81Å; T1027-M1030 PolarHBondContact N-SD 2.83Å; T1027-M1030 WeakPolarHBondContact O-CB 3.39Å; T1027-M1030 PolarHBondContact O-N 2.94Å; T1027-M1030 VanDerWaalsContact O-N 3.13Å; T1027-M1030 VanDerWaalsContact OG1-CG 3.25Å; T1027-M1030 WeakPolarHBondContact OG1-CG 3.35Å; T1027-M1030 PolarHBondContact OG1-N 3.09Å; T1027-M1030 PolarHBondContact OG1-SD 3.43Å; T1027-M1030 VanDerWaalsContact OG1-SD 3.36Å; M1030-L1032 PolarHBondContact O-N 3.25Å; M1030-W1038 HydrophobicContact CB-CE3 4.4Å; M1030-W1038 HydrophobicContact CB-CH2 4.3Å; M1030-W1038 HydrophobicContact CB-CZ3 3.75Å; M1030-W1038 HydrophobicContact CE-CH2 4.32Å; M1030-W1038 HydrophobicContact CE-CZ3 3.84Å; M1030-W1038 HydrophobicContact CG-CH2 3.71Å; M1030-W1038 HydrophobicContact CG-CZ3 3.59Å; M1030-L1041 HydrophobicContact CB-CD2 4.35Å
1031	S	79.6	Confident	85.6	Confident	27 Å²	27	72.5 Å²	72.5	19%	0.189	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-20.2	179.1	90.4	0	0	0	0	115	T1027 F1028 Q1029 R1045	T1027-S1031 PolarHBondContact O-N 3.14Å; F1028-S1031 WeakPolarHBondContact O-CB 3.37Å; F1028-S1031 PolarHBondContact O-N 3.04Å; F1028-S1031 PolarHBondContact O-OG 3.26Å; Q1029-S1031 VanDerWaalsContact C-N 3.26Å; Q1029-S1031 PolarHBondContact O-N 3.14Å; S1031-R1045 PolarHBondContact O-NH1 2.89Å
1032	L	80.7	Confident	85.4	Confident	97 Å²	97	72 Å²	72	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-98.7	-20	-175.6	-68.4	175.7	0	0	0	113.7	F1028 Q1029 M1030	F1028-L1032 HydrophobicContact CD1-CD1 4.08Å; F1028-L1032 HydrophobicContact CE1-CD1 3.65Å; F1028-L1032 HydrophobicContact CE1-CG 4.45Å; F1028-L1032 HydrophobicContact CZ-CD1 4.13Å; F1028-L1032 PolarHBondContact O-N 3.27Å; Q1029-L1032 PolarHBondContact O-N 3.12Å; M1030-L1032 PolarHBondContact O-N 3.25Å
1033	R	80.3	Confident	85.2	Confident	49 Å²	49	73.9 Å²	73.9	19%	0.185	36%	0.357	C	S	.	.			trans	-70.2	143.6	178.9	-71	-179	178.8	-106.3	6.7	111	S991 E1035 W1038	S991-R1033 VanDerWaalsContact CA-NH2 3.31Å; S991-R1033 PolarHBondContact O-NH1 3.42Å; S991-R1033 PolarHBondContact O-NH2 3.38Å; S991-R1033 VanDerWaalsContact O-NH2 3.09Å; S991-R1033 PolarHBondContact OG-NH2 3.32Å; R1033-E1035 IonicContact NH1-OE1 3.54Å; R1033-E1035 IonicContact NH1-OE2 3.46Å; R1033-E1035 PolarHBondContact NH1-OE2 2.72Å; R1033-W1038 HydrophobicContact CB-CB 4.41Å; R1033-W1038 HydrophobicContact CB-CD2 4.12Å; R1033-W1038 HydrophobicContact CB-CG 3.89Å
1034	R	73.7	Confident	85.4	Confident	196 Å²	196	69.1 Å²	69.1	74%	0.74	34%	0.335	S	S	*	.			trans	-140.2	21.5	-177.4	-59.1	-168	175.7	-133	-1.5	113.3	M1042	R1034-M1042 HydrophobicContact CB-SD 4.09Å; R1034-M1042 HydrophobicContact CG-CE 3.89Å; R1034-M1042 HydrophobicContact CG-SD 3.88Å
1035	E	81.2	Confident	85.4	Confident	102 Å²	102	64.2 Å²	64.2	48%	0.477	31%	0.312	S	S	.	.	S	Bend	trans	-72.5	151.6	169.5	-57.2	139.7	-171.1	0	0	108.8	R1033 V1037 W1038	R1033-E1035 IonicContact NH1-OE1 3.54Å; R1033-E1035 IonicContact NH1-OE2 3.46Å; R1033-E1035 PolarHBondContact NH1-OE2 2.72Å; E1035-V1037 PolarHBondContact O-N 3.09Å; E1035-W1038 PolarHBondContact O-N 3.05Å; E1035-W1038 PolarHBondContact OE2-NE1 3.24Å
1036	D	76.1	Confident	85.4	Confident	125 Å²	125	65.5 Å²	65.5	67%	0.668	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-58.2	-26.9	-171.7	-58	-53.6	0	0	0	114.1	R940 W1038 L1039	R940-D1036 PolarHBondContact NH2-O 2.85Å; D1036-W1038 PolarHBondContact O-N 3.27Å; D1036-L1039 WeakPolarHBondContact O-CB 3.47Å; D1036-L1039 PolarHBondContact O-N 2.77Å; D1036-L1039 VanDerWaalsContact O-N 3.16Å
1037	V	80.7	Confident	85.6	Confident	92 Å²	92	66.1 Å²	66.1	56%	0.558	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-68.1	-20.6	176.7	-148.2	0	0	0	0	112.7	P993 E1035	P993-V1037 HydrophobicContact CG-CB 4.28Å; P993-V1037 HydrophobicContact CG-CG1 3.7Å; E1035-V1037 PolarHBondContact O-N 3.09Å
1038	W	88.1	Confident	85.9	Confident	3 Å²	3	63.3 Å²	63.3	1%	0.011	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-96.2	-2.5	175	-64	87.6	0	0	0	113.3	P993 L997 M1030 R1033 E1035 D1036 P1040 L1041 M1042	P993-W1038 HydrophobicContact CB-CD2 4.28Å; P993-W1038 HydrophobicContact CB-CE3 4.44Å; P993-W1038 HydrophobicContact CB-CH2 4.13Å; P993-W1038 HydrophobicContact CB-CZ2 3.95Å; P993-W1038 HydrophobicContact CB-CZ3 4.36Å; L997-W1038 HydrophobicContact CD2-CD2 4.31Å; L997-W1038 HydrophobicContact CD2-CE3 3.71Å; L997-W1038 HydrophobicContact CD2-CZ3 4.08Å; M1030-W1038 HydrophobicContact CB-CE3 4.4Å; M1030-W1038 HydrophobicContact CB-CH2 4.3Å; M1030-W1038 HydrophobicContact CB-CZ3 3.75Å; M1030-W1038 HydrophobicContact CE-CH2 4.32Å; M1030-W1038 HydrophobicContact CE-CZ3 3.84Å; M1030-W1038 HydrophobicContact CG-CH2 3.71Å; M1030-W1038 HydrophobicContact CG-CZ3 3.59Å; R1033-W1038 HydrophobicContact CB-CB 4.41Å; R1033-W1038 HydrophobicContact CB-CD2 4.12Å; R1033-W1038 HydrophobicContact CB-CG 3.89Å; E1035-W1038 PolarHBondContact O-N 3.05Å; E1035-W1038 PolarHBondContact OE2-NE1 3.24Å; D1036-W1038 PolarHBondContact O-N 3.27Å; W1038-P1040 VanDerWaalsContact C-N 3.34Å; W1038-L1041 HydrophobicContact CE3-CD2 4.34Å; W1038-L1041 PolarHBondContact O-N 3.21Å; W1038-M1042 PolarHBondContact O-N 3.1Å
1039	L	90.2	Very high	86	Confident	75 Å²	75	60 Å²	60	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-52.4	-38.1	178	-173.1	61.6	0	0	0	114.4	D1036 L1041 M1042 S1043	D1036-L1039 WeakPolarHBondContact O-CB 3.47Å; D1036-L1039 PolarHBondContact O-N 2.77Å; D1036-L1039 VanDerWaalsContact O-N 3.16Å; L1039-L1041 VanDerWaalsContact C-N 3.3Å; L1039-L1041 PolarHBondContact O-N 3.15Å; L1039-M1042 WeakPolarHBondContact O-CA 3.47Å; L1039-M1042 WeakPolarHBondContact O-CB 3.38Å; L1039-M1042 PolarHBondContact O-N 2.83Å; L1039-S1043 PolarHBondContact O-N 2.87Å; L1039-S1043 PolarHBondContact O-OG 3.15Å; L1039-S1043 VanDerWaalsContact O-OG 3.13Å
1040	P	92.6	Very high	85.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-41.1	178.6	-20.2	28.8	0	0	0	113.1	L997 A998 L1000 D1001 W1038 Y1044	L997-P1040 WeakPolarHBondContact O-CB 3.44Å; A998-P1040 HydrophobicContact CB-CG 4.48Å; L1000-P1040 HydrophobicContact CB-CB 4.18Å; D1001-P1040 HydrophobicContact CB-CB 4.41Å; D1001-P1040 WeakPolarHBondContact OD2-CG 3.25Å; W1038-P1040 VanDerWaalsContact C-N 3.34Å; P1040-Y1044 VanDerWaalsContact O-CB 3.32Å; P1040-Y1044 WeakPolarHBondContact O-CB 3.37Å; P1040-Y1044 PolarHBondContact O-N 3.48Å
1041	L	92.4	Very high	83.8	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-35.3	176.5	-178.8	58.4	0	0	0	111.7	F982 L997 L1000 L1022 M1026 M1030 W1038 L1039 R1045	F982-L1041 HydrophobicContact CZ-CD1 4.21Å; L997-L1041 HydrophobicContact CD1-CB 4.23Å; L1000-L1041 HydrophobicContact CD1-CB 4.28Å; L1000-L1041 HydrophobicContact CD1-CD1 3.83Å; L1022-L1041 HydrophobicContact CD1-CD1 4.17Å; L1022-L1041 HydrophobicContact CD2-CD1 4.21Å; M1026-L1041 HydrophobicContact CB-CD2 4.39Å; M1026-L1041 HydrophobicContact SD-CD1 4.28Å; M1030-L1041 HydrophobicContact CB-CD2 4.35Å; W1038-L1041 HydrophobicContact CE3-CD2 4.34Å; W1038-L1041 PolarHBondContact O-N 3.21Å; L1039-L1041 VanDerWaalsContact C-N 3.3Å; L1039-L1041 PolarHBondContact O-N 3.15Å; L1041-R1045 HydrophobicContact CD1-CG 4.14Å; L1041-R1045 VanDerWaalsContact O-CB 3.31Å; L1041-R1045 WeakPolarHBondContact O-CB 3.43Å; L1041-R1045 WeakPolarHBondContact O-CG 3.44Å; L1041-R1045 PolarHBondContact O-N 3.02Å
1042	M	89.9	Confident	82	Confident	40 Å²	40	59.9 Å²	59.9	20%	0.197	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-48.5	175.5	-64.6	-170	68.3	0	0	111.7	R1034 W1038 L1039 Y1044 R1045 N1046	R1034-M1042 HydrophobicContact CB-SD 4.09Å; R1034-M1042 HydrophobicContact CG-CE 3.89Å; R1034-M1042 HydrophobicContact CG-SD 3.88Å; W1038-M1042 PolarHBondContact O-N 3.1Å; L1039-M1042 WeakPolarHBondContact O-CA 3.47Å; L1039-M1042 WeakPolarHBondContact O-CB 3.38Å; L1039-M1042 PolarHBondContact O-N 2.83Å; M1042-Y1044 PolarHBondContact O-N 2.98Å; M1042-R1045 PolarHBondContact O-N 3.18Å; M1042-N1046 WeakPolarHBondContact O-CB 3.39Å; M1042-N1046 PolarHBondContact O-N 3.24Å; M1042-N1046 PolarHBondContact O-ND2 3.36Å; M1042-N1046 PolarHBondContact O-OD1 2.89Å
1043	S	90.6	Very high	80	Confident	40 Å²	40	62.5 Å²	62.5	28%	0.28	35%	0.348	S	S	.	.	H	α-helix	trans	-55.6	-50.5	176.7	-61.1	0	0	0	0	111.5	L1039 N1046 S1047	L1039-S1043 PolarHBondContact O-N 2.87Å; L1039-S1043 PolarHBondContact O-OG 3.15Å; L1039-S1043 VanDerWaalsContact O-OG 3.13Å; S1043-N1046 PolarHBondContact O-N 2.84Å; S1043-S1047 PolarHBondContact O-N 3.15Å
1044	Y	95.1	Very high	77.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-67.5	-39.4	-178.7	-176.3	-119.7	0	0	0	113.2	H974 I978 L1000 L1003 V1018 L1022 P1040 M1042 N1046 S1047 L1048	H974-Y1044 AromaticContact CE1-CE2 3.94Å; H974-Y1044 AromaticContact ND1-CE2 3.71Å; H974-Y1044 AromaticContact ND1-CZ 3.78Å; H974-Y1044 PolarHBondContact ND1-OH 3.45Å; I978-Y1044 HydrophobicContact CD1-CE1 4.03Å; I978-Y1044 HydrophobicContact CG1-CE1 3.89Å; L1000-Y1044 HydrophobicContact CB-CD1 4.38Å; L1000-Y1044 HydrophobicContact CB-CG 4.25Å; L1000-Y1044 HydrophobicContact CD1-CD1 4.27Å; L1000-Y1044 HydrophobicContact CD2-CD1 3.85Å; L1000-Y1044 HydrophobicContact CD2-CE1 4.05Å; L1000-Y1044 HydrophobicContact CD2-CG 4.43Å; L1000-Y1044 HydrophobicContact CG-CD1 4.4Å; L1003-Y1044 HydrophobicContact CB-CE2 4.41Å; L1003-Y1044 HydrophobicContact CD2-CE1 4.21Å; L1003-Y1044 HydrophobicContact CD2-CE2 4.01Å; L1003-Y1044 HydrophobicContact CG-CE2 3.92Å; V1018-Y1044 VanDerWaalsContact CG1-OH 3.31Å; V1018-Y1044 WeakPolarHBondContact CG1-OH 3.45Å; L1022-Y1044 HydrophobicContact CD1-CE1 4.47Å; L1022-Y1044 HydrophobicContact CD2-CD1 3.94Å; L1022-Y1044 HydrophobicContact CD2-CE1 4.06Å; P1040-Y1044 VanDerWaalsContact O-CB 3.32Å; P1040-Y1044 WeakPolarHBondContact O-CB 3.37Å; P1040-Y1044 PolarHBondContact O-N 3.48Å; M1042-Y1044 PolarHBondContact O-N 2.98Å; Y1044-N1046 VanDerWaalsContact C-N 3.35Å; Y1044-S1047 PolarHBondContact O-N 3.21Å; Y1044-S1047 PolarHBondContact O-OG 3.41Å; Y1044-L1048 HydrophobicContact CD1-CD1 4.29Å; Y1044-L1048 HydrophobicContact CE1-CD1 3.87Å; Y1044-L1048 HydrophobicContact CE2-CD1 4.3Å; Y1044-L1048 HydrophobicContact CE2-CG 4.46Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.47Å; Y1044-L1048 PolarHBondContact O-N 3.05Å
1045	R	92.7	Very high	76	Confident	46 Å²	46	65.1 Å²	65.1	17%	0.174	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-41.6	171.8	-74.1	174.9	74.3	-148.4	0.9	111.6	Y1019 L1022 M1026 S1031 L1041 M1042 L1048 L1049	Y1019-R1045 HydrophobicContact CE2-CB 4.25Å; Y1019-R1045 HydrophobicContact CE2-CG 4.03Å; Y1019-R1045 PolarHBondContact OH-NH2 3.26Å; L1022-R1045 HydrophobicContact CD2-CG 3.65Å; M1026-R1045 HydrophobicContact SD-CG 4.33Å; S1031-R1045 PolarHBondContact O-NH1 2.89Å; L1041-R1045 HydrophobicContact CD1-CG 4.14Å; L1041-R1045 VanDerWaalsContact O-CB 3.31Å; L1041-R1045 WeakPolarHBondContact O-CB 3.43Å; L1041-R1045 WeakPolarHBondContact O-CG 3.44Å; L1041-R1045 PolarHBondContact O-N 3.02Å; M1042-R1045 PolarHBondContact O-N 3.18Å; R1045-L1048 PolarHBondContact O-N 3.13Å; R1045-L1049 WeakPolarHBondContact O-CB 3.24Å; R1045-L1049 VanDerWaalsContact O-CG 3.29Å; R1045-L1049 WeakPolarHBondContact O-CG 3.36Å; R1045-L1049 PolarHBondContact O-N 2.73Å
1046	N	91.1	Very high	73.7	Confident	100 Å²	100	66.6 Å²	66.6	54%	0.535	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-41	178.8	-71	-16.8	0	0	0	111.7	M1042 S1043 Y1044 L1048 L1049 A1050	M1042-N1046 WeakPolarHBondContact O-CB 3.39Å; M1042-N1046 PolarHBondContact O-N 3.24Å; M1042-N1046 PolarHBondContact O-ND2 3.36Å; M1042-N1046 PolarHBondContact O-OD1 2.89Å; S1043-N1046 PolarHBondContact O-N 2.84Å; Y1044-N1046 VanDerWaalsContact C-N 3.35Å; N1046-L1048 VanDerWaalsContact C-N 3.3Å; N1046-L1048 PolarHBondContact O-N 3.44Å; N1046-L1049 PolarHBondContact O-N 2.66Å; N1046-A1050 VanDerWaalsContact O-CB 3.25Å; N1046-A1050 WeakPolarHBondContact O-CB 3.46Å; N1046-A1050 PolarHBondContact O-N 2.92Å
1047	S	92.6	Very high	71.5	Confident	28 Å²	28	69.6 Å²	69.6	20%	0.196	41%	0.409	C	S	.	.	H	α-helix	trans	-69.7	-26.8	179.5	76	0	0	0	0	113.4	S1007 K1015 S1043 Y1044	S1007-S1047 WeakPolarHBondContact CB-OG 3.26Å; S1007-S1047 WeakPolarHBondContact OG-CB 3.38Å; S1007-S1047 PolarHBondContact OG-OG 3.25Å; K1015-S1047 WeakPolarHBondContact CE-O 3.32Å; K1015-S1047 PolarHBondContact NZ-O 3.31Å; S1043-S1047 PolarHBondContact O-N 3.15Å; Y1044-S1047 PolarHBondContact O-N 3.21Å; Y1044-S1047 PolarHBondContact O-OG 3.41Å
1048	L	89.9	Confident	69.2	Low	9 Å²	9	70.2 Å²	70.2	5%	0.047	42%	0.417	C	S	.	.	H	α-helix	trans	-76.8	-34.8	170.5	-65.7	173.1	0	0	0	113.1	L1010 K1015 V1018 Y1019 L1022 Y1044 R1045 N1046	L1010-L1048 HydrophobicContact CD1-CD2 3.55Å; K1015-L1048 HydrophobicContact CB-CD2 4.29Å; K1015-L1048 WeakPolarHBondContact CB-O 3.39Å; K1015-L1048 HydrophobicContact CG-CD2 4.27Å; V1018-L1048 HydrophobicContact CB-CD2 4.21Å; V1018-L1048 HydrophobicContact CG1-CD1 3.91Å; V1018-L1048 HydrophobicContact CG1-CD2 3.91Å; Y1019-L1048 HydrophobicContact CD2-CB 4.34Å; Y1019-L1048 HydrophobicContact CD2-CD1 4.45Å; L1022-L1048 HydrophobicContact CD2-CD1 4.4Å; Y1044-L1048 HydrophobicContact CD1-CD1 4.29Å; Y1044-L1048 HydrophobicContact CE1-CD1 3.87Å; Y1044-L1048 HydrophobicContact CE2-CD1 4.3Å; Y1044-L1048 HydrophobicContact CE2-CG 4.46Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.47Å; Y1044-L1048 PolarHBondContact O-N 3.05Å; R1045-L1048 PolarHBondContact O-N 3.13Å; N1046-L1048 VanDerWaalsContact C-N 3.3Å; N1046-L1048 PolarHBondContact O-N 3.44Å
1049	L	83.8	Confident	66.6	Low	90 Å²	90	76.4 Å²	76.4	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-86.3	-21	-179.6	-65.9	173.1	0	0	0	113.6	Y1019 R1045 N1046 G1051 G1052	Y1019-L1049 HydrophobicContact CD1-CD2 4.41Å; Y1019-L1049 HydrophobicContact CD2-CD1 4.38Å; Y1019-L1049 HydrophobicContact CD2-CD2 3.97Å; Y1019-L1049 HydrophobicContact CD2-CG 4Å; Y1019-L1049 HydrophobicContact CE1-CD2 4.43Å; Y1019-L1049 HydrophobicContact CE2-CD1 3.77Å; Y1019-L1049 HydrophobicContact CE2-CD2 4Å; Y1019-L1049 HydrophobicContact CE2-CG 3.91Å; Y1019-L1049 HydrophobicContact CG-CD2 4.23Å; R1045-L1049 WeakPolarHBondContact O-CB 3.24Å; R1045-L1049 VanDerWaalsContact O-CG 3.29Å; R1045-L1049 WeakPolarHBondContact O-CG 3.36Å; R1045-L1049 PolarHBondContact O-N 2.73Å; N1046-L1049 PolarHBondContact O-N 2.66Å; L1049-G1051 PolarHBondContact O-N 3.4Å; L1049-G1052 PolarHBondContact O-N 3Å; L1049-G1052 VanDerWaalsContact O-N 3.11Å
1050	A	63.3	Low	63.7	Low	62 Å²	62	80.2 Å²	80.2	51%	0.512	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	104.9	171.2	0	0	0	0	0	110.1	K1015 N1046	K1015-A1050 PolarHBondContact NZ-O 3.19Å; K1015-A1050 VanDerWaalsContact NZ-O 3.11Å; N1046-A1050 VanDerWaalsContact O-CB 3.25Å; N1046-A1050 WeakPolarHBondContact O-CB 3.46Å; N1046-A1050 PolarHBondContact O-N 2.92Å
1051	G	54.9	Low	60.7	Low	44 Å²	44	85.9 Å²	85.9	45%	0.454	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	133.2	-0.2	-166.2	0	0	0	0	0	114.6	R1012 L1049	R1012-G1051 PolarHBondContact NE-O 3.1Å; R1012-G1051 PolarHBondContact NH2-O 3.16Å; L1049-G1051 PolarHBondContact O-N 3.4Å
1052	G	42.4	Very low	57.6	Low	56 Å²	56	88.9 Å²	88.9	58%	0.577	55%	0.545	S	S	*	.			trans	-74.3	130.1	163.2	0	0	0	0	0	112.2	L1049	L1049-G1052 PolarHBondContact O-N 3Å; L1049-G1052 VanDerWaalsContact O-N 3.11Å
1053	D	39.1	Very low	54.7	Low	152 Å²	152	95 Å²	95	81%	0.813	58%	0.577	S	S	*	*	S	Bend	trans	47.2	91.7	157	-50.5	-14.6	0	0	0	120.2
1054	D	36.2	Very low	51.7	Low	149 Å²	149	98.3 Å²	98.3	80%	0.797	60%	0.6	S	S	*	*				-160.7	-32.1	128.3	-138	-1.9	0	0	0	113.9	T1056	D1054-T1056 VanDerWaalsContact C-N 3.33Å; D1054-T1056 PolarHBondContact O-N 3.42Å
1055	D	33.8	Very low	48.4	Very low	150 Å²	150	103.9 Å²	103.9	80%	0.802	64%	0.639	S	S	*	*			trans	-68.5	71.2	-172.6	-69.6	-51.8	0	0	0	116
1056	T	32.3	Very low	45.5	Very low	134 Å²	134	114 Å²	114	82%	0.822	68%	0.678	S	S	*	*			trans	-142	47.5	169.6	46.2	0	0	0	0	113.6	D1054	D1054-T1056 VanDerWaalsContact C-N 3.33Å; D1054-T1056 PolarHBondContact O-N 3.42Å
1057	M	30.7	Very low	42.4	Very low	188 Å²	188	113 Å²	113	93%	0.926	69%	0.69	S	S	*	*			trans	-136.5	122.3	161.4	-101.3	-70	174.1	0	0	110.5
1058	S	32.1	Very low	39.2	Very low	104 Å²	104	116.9 Å²	116.9	73%	0.727	72%	0.717	S	S	*	*			trans	-94.9	130.4	-173	57.7	0	0	0	0	113.2
1059	V	32.1	Very low	36.2	Very low	133 Å²	133	122 Å²	122	81%	0.806	75%	0.75	S	S	*	*			trans	26.3	114.1	139.9	-171.8	0	0	0	0	117.6
1060	I	29.6	Very low	33.5	Very low	155 Å²	155	123.8 Å²	123.8	80%	0.795	76%	0.764	S	S	*	*			trans	-171	130.5	136.2	-99.8	150.9	0	0	0	109.8
1061	S	30.1	Very low	31.8	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	78%	0.78	S	S	*	*			trans	57.9	149	173.7	60.4	0	0	0	0	118
1062	G	27.2	Very low	30.5	Very low	66 Å²	66	133.9 Å²	133.9	68%	0.68	79%	0.789	S	S	*	*			cis	130.3	128.8	-5.3	0	0	0	0	0	113.3
1063	I	28.8	Very low	29.8	Very low	169 Å²	169	140.2 Å²	140.2	87%	0.867	80%	0.801	S	S	*	*			trans	81.5	107.9	171	-52	171	0	0	0	117.2
1064	S	27.7	Very low	29.3	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	80%	0.802	S	S	*	*			trans	38.1	123.9	140.8	-160.5	0	0	0	0	122.3
1065	S	26.9	Very low	28.8	Very low	118 Å²	118	141 Å²	141	83%	0.825	81%	0.805	S	S	*	*				-178	147.1	104.5	41.2	0	0	0	0	113.4
1066	R	30.6	Very low	28.6	Very low	259 Å²	259	143.1 Å²	143.1	98%	0.977	81%	0.808	S	S	*	*			trans	-101.8	135.8	171	-95.8	178.9	163.2	169.6	-4.7	110.1
1067	G	25.9	Very low	29.5	Very low	77 Å²	77	141.7 Å²	141.7	79%	0.794	80%	0.801	S	S	*	*			trans	143.2	156.5	154.3	0	0	0	0	0	118.6
1068	S	25.9	Very low	29.4	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	79%	0.792	S	S	*	*			trans	68.9	74.8	159.9	-171.9	0	0	0	0	120.6
1069	T	26.9	Very low	29.2	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.724	80%	0.797	S	S	*	*				40.2	122.7	122.8	52.3	0	0	0	0	123.4
1070	V	26.4	Very low	29.1	Very low	127 Å²	127	135.9 Å²	135.9	77%	0.77	79%	0.788	S	S	*	*				86	130.8	122.3	175.4	0	0	0	0	121.6
1071	R	27.3	Very low	29.1	Very low	224 Å²	224	137.7 Å²	137.7	85%	0.845	79%	0.79	S	S	*	*			trans	77.1	93.1	156	-87.6	173.1	179.4	-179.8	0.8	122.7
1072	S	27.6	Very low	29	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	79%	0.789	S	S	*	*				75.3	134.7	106.5	77	0	0	0	0	124.1
1073	K	28.3	Very low	29.1	Very low	188 Å²	188	148 Å²	148	82%	0.817	80%	0.795	S	S	*	*			trans	69.8	117.7	141.7	-75.5	175.3	179.2	173.3	0	120.8
1074	K	28.7	Very low	29.1	Very low	195 Å²	195	145.2 Å²	145.2	85%	0.848	79%	0.786	S	S	*	*			trans	62.1	125.1	146.8	-59.4	-178	175.9	-175	0	116.3
1075	S	26.4	Very low	29.1	Very low	123 Å²	123	145.6 Å²	145.6	86%	0.86	78%	0.784	S	S	*	*				-173	167.1	64.7	42.8	0	0	0	0	114.3
1076	K	29.2	Very low	29.1	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	78%	0.782	S	S	*	*			trans	-94.4	173.4	170.3	-93.8	-175.5	178.2	-179.9	0	109.8
1077	P	50.8	Low	29	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	77%	0.768	S	S	*	*			cis	-142.9	-167	-30.4	38.6	-19.6	0	0	0	113.9
1078	S	28.4	Very low	29.1	Very low	106 Å²	106	143.2 Å²	143.2	74%	0.741	77%	0.769	S	S	*	*			trans	78.7	152.8	150.3	89.3	0	0	0	0	117.3
1079	T	29.2	Very low	29.1	Very low	137 Å²	137	144.8 Å²	144.8	84%	0.84	76%	0.764	S	S	*	*			cis	-138.5	168.3	-5.6	50	0	0	0	0	108
1080	G	29.1	Very low	29.1	Very low	60 Å²	60	145.5 Å²	145.5	62%	0.619	76%	0.763	S	S	*	*			cis	139.4	154.7	-0.6	0	0	0	0	0	112
1081	K	30.6	Very low	29.1	Very low	193 Å²	193	144.5 Å²	144.5	84%	0.839	76%	0.762	S	S	*	*			trans	78.3	148.3	-178.4	-57.6	160.4	-173.3	165.2	0	114.1
1082	R	27.6	Very low	29.1	Very low	213 Å²	213	140.9 Å²	140.9	80%	0.804	76%	0.759	S	S	*	*			cis	-154.3	143.4	-4.8	-108.2	161	-177.6	175.7	-2.7	107.2
1083	K	29.3	Very low	29	Very low	189 Å²	189	141.3 Å²	141.3	82%	0.822	76%	0.757	S	S	*	*				51.1	138.5	91.5	-88.9	-152.3	172.6	-161.2	0	115.4
1084	V	28.4	Very low	28.9	Very low	111 Å²	111	140.2 Å²	140.2	67%	0.673	76%	0.755	S	S	*	*			cis	-170.9	173.7	-5.7	78	0	0	0	0	109.7
1085	V	27.4	Very low	28.8	Very low	117 Å²	117	139.5 Å²	139.5	71%	0.709	76%	0.755	S	S	*	*				168.1	154.7	125.7	162.1	0	0	0	0	111.4
1086	E	28.1	Very low	28.7	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	74%	0.742	S	S	*	*			trans	-61.3	179.3	-178.5	-58.9	97.6	175.8	0	0	116.6
1087	G	26.6	Very low	28.6	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	74%	0.743	S	S	*	*			cis	-161.7	168.7	9.6	0	0	0	0	0	112.7
1088	M	28.8	Very low	27.4	Very low	168 Å²	168	133.9 Å²	133.9	83%	0.828	74%	0.743	S	S	*	*				59	131	66.5	-92.1	175.3	142.3	0	0	114.2
1089	Q	26.8	Very low	27.3	Very low	143 Å²	143	133.5 Å²	133.5	67%	0.668	74%	0.74	S	S	*	*			cis	-170	168.1	-7.7	-139.9	-171	-22.7	0	0	112
1090	L	27.1	Very low	27	Very low	133 Å²	133	134.8 Å²	134.8	70%	0.696	74%	0.742	S	S	*	*			trans	58	122.8	149.8	-73.2	163.3	0	0	0	123.6
1091	S	25.8	Very low	26.9	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	74%	0.743	S	S	*	*				-176	134.4	118.6	15	0	0	0	0	109.6
1092	L	26.8	Very low	26.6	Very low	148 Å²	148	134.2 Å²	134.2	78%	0.775	74%	0.738	S	S	*	*				62	135.4	75.2	-55.7	174.1	0	0	0	113.7
1093	T	25.8	Very low	26.5	Very low	102 Å²	102	134.4 Å²	134.4	63%	0.626	74%	0.739	S	S	*	*			cis	-167.3	150.7	-8.5	14	0	0	0	0	110.5
1094	E	26.5	Very low	26.4	Very low	165 Å²	165	131.1 Å²	131.1	77%	0.771	73%	0.73	S	S	*	*			trans	52.6	130.4	140.3	-65.1	162.6	177.7	0	0	124
1095	E	25.7	Very low	26.2	Very low	180 Å²	180	131.9 Å²	131.9	84%	0.841	74%	0.739	S	S	*	*			trans	53.8	154.1	130.8	-63.8	-164.6	-169.8	0	0	123.8
1096	S	25.6	Very low	26.3	Very low	86 Å²	86	136.9 Å²	136.9	60%	0.601	75%	0.746	S	S	*	*			cis	-167.5	146.9	-22	55.1	0	0	0	0	112.1
1097	S	26.6	Very low	26.2	Very low	123 Å²	123	135.8 Å²	135.8	86%	0.86	74%	0.74	S	S	*	*			trans	61.9	166	167.1	79.9	0	0	0	0	117.8
1098	S	26.1	Very low	26.3	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	74%	0.739	S	S	*	*			cis	-150.7	169.7	6.8	66.8	0	0	0	0	113.8
1099	S	24.7	Very low	26.3	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	73%	0.733	S	S	*	*			trans	58.1	115.4	142.1	65.2	0	0	0	0	122.9
1100	D	24.1	Very low	26.2	Very low	163 Å²	163	137.1 Å²	137.1	87%	0.872	74%	0.739	S	S	*	*				90	161	128.9	-111.2	-40.6	0	0	0	123.2
1101	S	25.7	Very low	26.1	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	74%	0.742	S	S	*	*			trans	-135.7	160.8	-163.7	68.4	0	0	0	0	112.9
1102	M	24.2	Very low	26.2	Very low	149 Å²	149	139 Å²	139	73%	0.734	74%	0.74	S	S	*	*				164.1	129.6	122.8	-90.7	-160.9	152.8	0	0	114.8
1103	W	25.8	Very low	26.8	Very low	218 Å²	218	137.5 Å²	137.5	83%	0.826	74%	0.739	S	S	*	*			trans	59.3	162.8	137.5	-62.3	49	0	0	0	117.1
1104	L	28.5	Very low	26.8	Very low	120 Å²	120	138.3 Å²	138.3	63%	0.628	74%	0.744	S	S	*	*			cis	-157.8	147.7	6.2	-142.9	168.6	0	0	0	110.1	R1106	L1104-R1106 HydrophobicContact CD2-CB 4.07Å
1105	S	24.3	Very low	27.3	Very low	126 Å²	126	139.4 Å²	139.4	88%	0.881	75%	0.751	S	S	*	*			trans	-163.4	150.5	139.6	-84.2	0	0	0	0	110.4
1106	R	28.8	Very low	27.3	Very low	222 Å²	222	138.5 Å²	138.5	84%	0.838	75%	0.749	S	S	*	*			trans	-152.1	168.1	-162.7	173.5	176.3	164.1	160.4	-1.6	111	L1104	L1104-R1106 HydrophobicContact CD2-CB 4.07Å
1107	E	26.8	Very low	27.3	Very low	147 Å²	147	143.2 Å²	143.2	69%	0.687	76%	0.762	S	S	*	*			trans	116.7	135.7	161.7	-60.9	-149	122.4	0	0	113.6
1108	Q	27.9	Very low	27.5	Very low	138 Å²	138	144 Å²	144	65%	0.645	76%	0.762	S	S	*	*			cis	-156.5	140.7	1.2	-123.6	172.7	33.1	0	0	110.8
1109	T	28.7	Very low	27.6	Very low	113 Å²	113	145.3 Å²	145.3	69%	0.693	77%	0.768	S	S	*	*			trans	47.1	137.2	146.4	53.6	0	0	0	0	121.4
1110	L	24.5	Very low	27.6	Very low	153 Å²	153	149.9 Å²	149.9	80%	0.801	78%	0.778	S	S	*	*			cis	-149.9	176.8	6.3	-50.9	84.7	0	0	0	108.2
1111	H	26.2	Very low	27.8	Very low	165 Å²	165	150.3 Å²	150.3	76%	0.764	78%	0.779	S	S	*	*			cis	-155.6	-175.5	-12.3	-142.6	-102.4	0	0	0	111.2
1112	T	28.1	Very low	27.6	Very low	115 Å²	115	152.9 Å²	152.9	71%	0.706	79%	0.792	S	S	*	*			trans	-141.4	-176.6	177.1	48.2	0	0	0	0	110.1
1113	P	38.1	Very low	27.7	Very low	116 Å²	116	150.4 Å²	150.4	75%	0.753	79%	0.789	S	S	*	*			cis	-128.7	-164	11.6	30.8	-3.3	0	0	0	113.3
1114	V	26.4	Very low	27.6	Very low	120 Å²	120	147 Å²	147	73%	0.727	79%	0.792	S	S	*	*			cis	-151.3	153.8	30.6	174.8	0	0	0	0	112.3
1115	M	36.3	Very low	27.3	Very low	187 Å²	187	147.7 Å²	147.7	92%	0.921	80%	0.796	S	S	*	*			trans	-127.8	139.6	158	-99.8	-172.2	166.8	0	0	110
1116	M	26.3	Very low	27.2	Very low	162 Å²	162	148.1 Å²	148.1	80%	0.798	79%	0.785	S	S	*	*			trans	-146.6	134.1	160.6	-74.8	-169.7	159.8	0	0	106.9
1117	Q	24.9	Very low	26.9	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	79%	0.786	S	S	*	*				75.1	129.5	56.5	-77	-165.1	-26.4	0	0	114.9
1118	T	31.8	Very low	26.9	Very low	140 Å²	140	149 Å²	149	86%	0.859	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-81.8	140.9	179.5	30.3	0	0	0	0	112.1
1119	P	28.3	Very low	26.8	Very low	123 Å²	123	148.1 Å²	148.1	80%	0.799	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-88.5	149.8	175	34.6	-33.5	0	0	0	112.8
1120	Q	24.4	Very low	26.6	Very low	194 Å²	194	151 Å²	151	91%	0.907	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-100.7	166.5	161.7	-78.9	-171.3	-47.7	0	0	110.9
1121	L	27.3	Very low	26.7	Very low	171 Å²	171	155.4 Å²	155.4	90%	0.895	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.8	145.5	171.9	-68.1	156.2	0	0	0	111.8
1122	T	23	Very low	26.5	Very low	146 Å²	146	156 Å²	156	90%	0.896	81%	0.812	S	S	*	*			trans	-156.4	148	152.5	7.1	0	0	0	0	110.7
1123	S	25.5	Very low	26.3	Very low	97 Å²	97	161.5 Å²	161.5	68%	0.678	82%	0.82	S	S	*	*			trans	-82.7	156.3	177.8	171.2	0	0	0	0	112
1124	T	23.8	Very low	26.4	Very low	147 Å²	147	160.2 Å²	160.2	90%	0.902	81%	0.812	S	S	*	*			trans	-158.4	155.4	138.2	-1.2	0	0	0	0	113.1
1125	I	22	Very low	26.3	Very low	135 Å²	135	162.6 Å²	162.6	69%	0.692	82%	0.815	S	S	*	*			trans	-101.8	155.3	-172.8	-59.7	155.5	0	0	0	109.8
1126	M	21.6	Very low	25.7	Very low	135 Å²	135	159.9 Å²	159.9	67%	0.665	80%	0.804	S	S	*	*				160	114.4	129.1	-82.2	-69.8	161.7	0	0	116.6
1127	R	23.2	Very low	25.5	Very low	225 Å²	225	156.6 Å²	156.6	85%	0.849	80%	0.797	S	S	*	*			trans	76.2	148.2	134.8	-71.6	174.8	175	167.7	0.9	123.5
1128	E	25.9	Very low	25.5	Very low	162 Å²	162	155.9 Å²	155.9	76%	0.757	79%	0.792	S	S	*	*			trans	-72.9	175.6	179.7	-42.4	169.1	89.1	0	0	114.8
1129	P	27	Very low	25.1	Very low	119 Å²	119	156 Å²	156	77%	0.773	78%	0.784	S	S	*	*				-148.7	128.7	93.8	36.1	-17.9	0	0	0	118.7
1130	K	24.3	Very low	24.8	Very low	175 Å²	175	154.7 Å²	154.7	76%	0.761	78%	0.778	S	S	*	*			trans	48.7	113.7	132.4	-61.8	-178.8	179.2	178.1	0	122.8
1131	R	26.6	Very low	24.7	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	77%	0.765	S	S	*	*			trans	14.4	136.4	138.8	-59.9	-177.9	179.8	-173.4	-0.7	120.9
1132	L	22.3	Very low	24.5	Very low	179 Å²	179	152.2 Å²	152.2	94%	0.937	76%	0.761	S	S	*	*				-167.3	162.9	116.2	-103.4	164	0	0	0	113.5
1133	R	24.4	Very low	24.9	Very low	230 Å²	230	150.6 Å²	150.6	87%	0.868	75%	0.753	S	S	*	*			trans	-117.8	-175.1	178.5	-112.9	-169.8	-170.9	-179.1	5	108.6
1134	P	38.8	Very low	24.8	Very low	89 Å²	89	152.3 Å²	152.3	58%	0.578	75%	0.752	S	S	*	*			cis	-143.2	-176.7	15.8	43.5	-23.7	0	0	0	118.1
1135	E	24.7	Very low	24.7	Very low	169 Å²	169	152.7 Å²	152.7	79%	0.79	74%	0.743	S	S	*	*			trans	63.7	154.1	142.1	-82.8	139.1	-140	0	0	121.7
1136	D	23.4	Very low	24.8	Very low	131 Å²	131	151.2 Å²	151.2	70%	0.701	74%	0.741	S	S	*	*			cis	-155	160	6.4	-149.1	-26.5	0	0	0	113.9
1137	S	22.6	Very low	24.9	Very low	93 Å²	93	152.3 Å²	152.3	65%	0.65	75%	0.745	S	S	*	*			trans	60.1	152.2	142.8	-82.7	0	0	0	0	122.9
1138	F	24.2	Very low	25	Very low	170 Å²	170	148 Å²	148	75%	0.746	73%	0.734	S	S	*	*			cis	-158	160.5	-7.5	-157.7	-118.2	0	0	0	113.2
1139	M	23.3	Very low	24.9	Very low	142 Å²	142	146.5 Å²	146.5	70%	0.7	73%	0.727	S	S	*	*			trans	-25.4	168.9	153.5	-98.6	168.1	66.3	0	0	117.8
1140	S	22.3	Very low	24.7	Very low	96 Å²	96	147.8 Å²	147.8	67%	0.671	72%	0.722	S	S	*	*			cis	175.9	168.8	35.2	134.3	0	0	0	0	109.5
1141	V	23.2	Very low	24.6	Very low	106 Å²	106	144.9 Å²	144.9	64%	0.642	72%	0.719	S	S	*	*			cis	176.9	133.6	-32.6	117.4	0	0	0	0	110.3
1142	Y	22.1	Very low	25.3	Very low	207 Å²	207	138.2 Å²	138.2	81%	0.812	71%	0.707	S	S	*	*			trans	66.4	-178.8	161	-82.3	-112.5	0	0	0	118
1143	P	30.8	Very low	25.4	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	70%	0.699	S	S	*	*			cis	-141.3	161.3	11.5	39.6	-18.8	0	0	0	121.3
1144	M	23.7	Very low	25.5	Very low	134 Å²	134	132.2 Å²	132.2	66%	0.66	69%	0.693	S	S	*	*			trans	46.2	174.5	138.9	-53.4	-141.7	80	0	0	121.5	T1146	M1144-T1146 HydrophobicContact CE-CG2 4.46Å
1145	Q	23	Very low	25.1	Very low	154 Å²	154	137.7 Å²	137.7	72%	0.72	70%	0.703	S	S	*	*			cis	-156.3	123.8	9.1	-130.5	135.2	18.1	0	0	106.6
1146	T	23.3	Very low	25.7	Very low	105 Å²	105	134.2 Å²	134.2	64%	0.644	69%	0.69	S	S	*	*				59.7	154.9	90.1	61.3	0	0	0	0	119.2	M1144	M1144-T1146 HydrophobicContact CE-CG2 4.46Å
1147	E	24.6	Very low	26.1	Very low	158 Å²	158	134.6 Å²	134.6	74%	0.738	70%	0.698	S	S	*	*			trans	88.9	146.1	168.7	-57.8	-166.7	179.4	0	0	117.8
1148	H	24.9	Very low	27.4	Very low	133 Å²	133	138 Å²	138	62%	0.616	70%	0.703	S	S	*	*			cis	-167.5	158.3	-5.1	-116.9	0.6	0	0	0	113.9
1149	H	23.9	Very low	28.3	Very low	132 Å²	132	135.2 Å²	135.2	61%	0.611	70%	0.7	S	S	*	*			trans	65.4	156.5	143.4	-78.5	54.9	0	0	0	120.5
1150	Q	23.1	Very low	29.2	Very low	145 Å²	145	134 Å²	134	68%	0.678	70%	0.7	S	S	*	*			cis	-169.2	137.4	-17.2	-127.1	-177.5	6.4	0	0	112.7
1151	T	21.6	Very low	30.2	Very low	115 Å²	115	139.7 Å²	139.7	71%	0.706	71%	0.708	S	S	*	*			trans	49.2	171.6	138.7	49.9	0	0	0	0	124.2
1152	P	40.5	Very low	31.2	Very low	103 Å²	103	141.8 Å²	141.8	67%	0.669	71%	0.712	S	S	*	*			cis	-139.2	-165.1	-30	34.1	-11.6	0	0	0	115.3
1153	L	25.2	Very low	32.1	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	71%	0.708	S	S	*	*			trans	82.9	145.7	159.4	-63.4	159.3	0	0	0	117.9
1154	D	27.3	Very low	32.8	Very low	137 Å²	137	136 Å²	136	73%	0.733	70%	0.696	S	S	*	*			cis	-147.8	-175.6	2.4	-144.5	-19.8	0	0	0	114.8
1155	Y	30.5	Very low	34	Very low	203 Å²	203	135.9 Å²	135.9	80%	0.796	69%	0.694	S	S	*	*			trans	-82.5	128.2	-162.9	-112.4	-126.4	0	0	0	118.7
1156	N	36.5	Very low	35.1	Very low	96 Å²	96	137.6 Å²	137.6	51%	0.513	69%	0.694	S	S	.	*				48.1	128.3	116.4	-164.7	-3	0	0	0	121.4	Q1158	N1156-Q1158 PolarHBondContact OD1-N 2.79Å
1157	T	31.3	Very low	36.2	Very low	140 Å²	140	140 Å²	140	86%	0.859	70%	0.698	S	S	*	*			trans	-147.4	74.2	146.7	-35.3	0	0	0	0	113.5
1158	Q	50.3	Low	37.4	Very low	164 Å²	164	139.7 Å²	139.7	77%	0.766	70%	0.696	S	S	*	*			trans	-63.9	135.3	162.8	-68.9	173.1	-32.7	0	0	111.2	N1156	N1156-Q1158 PolarHBondContact OD1-N 2.79Å
1159	V	43.5	Very low	38.8	Very low	111 Å²	111	139.5 Å²	139.5	67%	0.673	70%	0.696	S	S	*	*			trans	175.7	-35.5	148.3	139.7	0	0	0	0	111.5	W1161	V1159-W1161 PolarHBondContact O-N 3Å
1160	T	42.1	Very low	40	Very low	116 Å²	116	140 Å²	140	71%	0.712	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-31	-165.3	-41.5	0	0	0	0	115.4
1161	W	42.2	Very low	41.1	Very low	217 Å²	217	135.6 Å²	135.6	82%	0.822	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-34.6	-169.3	-91.8	87.2	0	0	0	115.3	V1159 L1163 A1164	V1159-W1161 PolarHBondContact O-N 3Å; W1161-L1163 PolarHBondContact O-N 3.48Å; W1161-L1163 VanDerWaalsContact O-N 3.12Å; W1161-A1164 PolarHBondContact O-N 3.09Å; W1161-A1164 VanDerWaalsContact O-N 3.14Å
1162	M	44.4	Very low	42.5	Very low	149 Å²	149	138.7 Å²	138.7	73%	0.734	69%	0.686	S	S	*	*	H	α-helix	trans	-65.9	-17.4	-175.2	-79.8	-174.9	-79.4	0	0	114.4
1163	L	42.4	Very low	43.1	Very low	140 Å²	140	138.8 Å²	138.8	73%	0.733	68%	0.677	S	S	*	*	H	α-helix	trans	-84.4	-24.2	176.5	-78.3	166.4	0	0	0	113.5	W1161	W1161-L1163 PolarHBondContact O-N 3.48Å; W1161-L1163 VanDerWaalsContact O-N 3.12Å
1164	A	44.8	Very low	44.3	Very low	56 Å²	56	138.8 Å²	138.8	46%	0.463	67%	0.673	S	S	.	*	H	α-helix	trans	-75.5	-46.2	178.7	0	0	0	0	0	111.7	W1161 R1166 Q1167	W1161-A1164 PolarHBondContact O-N 3.09Å; W1161-A1164 VanDerWaalsContact O-N 3.14Å; A1164-R1166 VanDerWaalsContact C-N 3.3Å; A1164-R1166 PolarHBondContact O-N 3Å; A1164-Q1167 PolarHBondContact O-N 2.86Å
1165	Q	48.9	Very low	45.5	Very low	132 Å²	132	139.3 Å²	139.3	62%	0.617	67%	0.671	S	S	*	*	H	α-helix	trans	-59.3	-39.1	-173	-161.9	166.5	4.5	0	0	112.5	Q1167 Q1168	Q1165-Q1167 PolarHBondContact O-N 2.91Å; Q1165-Q1168 PolarHBondContact O-N 3.3Å
1166	R	45.8	Very low	46.3	Very low	191 Å²	191	134.9 Å²	134.9	72%	0.721	66%	0.658	S	S	*	*	H	α-helix	trans	-69.1	-26.4	-177.9	-164.5	173.2	-178.2	175.4	2.8	114.5	A1164	A1164-R1166 VanDerWaalsContact C-N 3.3Å; A1164-R1166 PolarHBondContact O-N 3Å
1167	Q	47.4	Very low	46.9	Very low	156 Å²	156	138.1 Å²	138.1	73%	0.729	66%	0.663	S	S	*	*	H	α-helix	trans	-79.3	-24.3	174.9	-76	-169.5	-28	0	0	112.9	A1164 Q1165 E1169	A1164-Q1167 PolarHBondContact O-N 2.86Å; Q1165-Q1167 PolarHBondContact O-N 2.91Å; Q1167-E1169 VanDerWaalsContact C-N 3.34Å
1168	Q	49.8	Very low	47.6	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	64%	0.644	S	S	*	*	H	α-helix	trans	-73.2	-28.8	179.5	-126.5	169.7	-14.8	0	0	112.3	Q1165 R1172	Q1165-Q1168 PolarHBondContact O-N 3.3Å; Q1168-R1172 PolarHBondContact O-N 2.91Å
1169	E	52.9	Low	47.5	Very low	129 Å²	129	128.9 Å²	128.9	60%	0.603	63%	0.629	S	S	*	*	H	α-helix	trans	-79.3	-39.6	-173.9	-157.6	144.2	-122.1	0	0	113.2	Q1167 A1171 R1172 Q1173	Q1167-E1169 VanDerWaalsContact C-N 3.34Å; E1169-A1171 VanDerWaalsContact C-N 3.32Å; E1169-A1171 PolarHBondContact O-N 3.21Å; E1169-R1172 PolarHBondContact O-N 2.96Å; E1169-Q1173 PolarHBondContact O-N 2.78Å
1170	E	49.7	Very low	47.6	Very low	141 Å²	141	130.1 Å²	130.1	66%	0.659	63%	0.629	S	S	*	*	H	α-helix	trans	-64.1	-36.6	174.2	-67.1	-173.4	154.5	0	0	111.9	Q1174	E1170-Q1174 PolarHBondContact O-N 3.3Å
1171	A	47.3	Very low	47.7	Very low	53 Å²	53	128.6 Å²	128.6	44%	0.438	62%	0.623	S	S	.	*	H	α-helix	trans	-64.2	-40.4	175.1	0	0	0	0	0	112.3	E1169 Q1174 Q1175	E1169-A1171 VanDerWaalsContact C-N 3.32Å; E1169-A1171 PolarHBondContact O-N 3.21Å; A1171-Q1174 PolarHBondContact O-N 3.04Å; A1171-Q1175 PolarHBondContact O-N 3.04Å; A1171-Q1175 VanDerWaalsContact O-N 3.12Å
1172	R	49	Very low	47.6	Very low	181 Å²	181	126.7 Å²	126.7	68%	0.683	62%	0.617	S	S	*	*	H	α-helix	trans	-63.3	-46.8	-177.3	-158.4	174	-174.2	177.9	1.6	111.9	Q1168 E1169 Q1174 Q1175 E1176	Q1168-R1172 PolarHBondContact O-N 2.91Å; E1169-R1172 PolarHBondContact O-N 2.96Å; R1172-Q1174 PolarHBondContact O-N 3.02Å; R1172-Q1175 PolarHBondContact O-N 3.39Å; R1172-Q1175 VanDerWaalsContact O-N 3.14Å; R1172-E1176 PolarHBondContact O-N 2.86Å; R1172-E1176 VanDerWaalsContact O-N 3.11Å
1173	Q	54.4	Low	47.7	Very low	104 Å²	104	124.1 Å²	124.1	49%	0.486	61%	0.609	S	S	.	*	H	α-helix	trans	-64.3	-26.3	176	-68	-167.8	8.2	0	0	113.7	E1169	E1169-Q1173 PolarHBondContact O-N 2.78Å
1174	Q	50	Low	47.7	Very low	147 Å²	147	125.1 Å²	125.1	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-76.2	-33.4	176.3	-133.7	168.9	11.1	0	0	111.4	E1170 A1171 R1172 A1178	E1170-Q1174 PolarHBondContact O-N 3.3Å; A1171-Q1174 PolarHBondContact O-N 3.04Å; R1172-Q1174 PolarHBondContact O-N 3.02Å; Q1174-A1178 PolarHBondContact O-N 2.95Å
1175	Q	51.8	Low	47.4	Very low	149 Å²	149	128 Å²	128	70%	0.696	62%	0.615	S	S	*	*	H	α-helix	trans	-73.8	-35.9	177.7	-165.2	160.1	-19.5	0	0	112.8	A1171 R1172 A1178 A1179	A1171-Q1175 PolarHBondContact O-N 3.04Å; A1171-Q1175 VanDerWaalsContact O-N 3.12Å; R1172-Q1175 PolarHBondContact O-N 3.39Å; R1172-Q1175 VanDerWaalsContact O-N 3.14Å; Q1175-A1178 WeakPolarHBondContact O-CB 3.48Å; Q1175-A1178 PolarHBondContact O-N 3.18Å; Q1175-A1179 PolarHBondContact O-N 3.33Å
1176	E	49	Very low	47	Very low	109 Å²	109	130.1 Å²	130.1	51%	0.509	62%	0.617	S	S	.	*	H	α-helix	trans	-64	-40.9	174	-71.3	172.7	161.3	0	0	112.9	R1172 A1178 A1179 M1180	R1172-E1176 PolarHBondContact O-N 2.86Å; R1172-E1176 VanDerWaalsContact O-N 3.11Å; E1176-A1178 VanDerWaalsContact C-N 3.28Å; E1176-A1178 PolarHBondContact O-N 2.67Å; E1176-A1179 PolarHBondContact O-N 2.77Å; E1176-M1180 PolarHBondContact O-N 2.89Å
1177	R	48.6	Very low	46.8	Very low	164 Å²	164	124.7 Å²	124.7	62%	0.619	61%	0.605	S	S	*	*	H	α-helix	trans	-64	-33.6	174.2	-70	-174	-176	107.3	0.6	112.2	S1181	R1177-S1181 PolarHBondContact O-N 2.55Å
1178	A	46.4	Very low	46.3	Very low	58 Å²	58	122.9 Å²	122.9	48%	0.479	60%	0.6	S	S	.	*	H	α-helix	trans	-68.3	-43.9	172.5	0	0	0	0	0	111.6	Q1174 Q1175 E1176 S1181 Y1182	Q1174-A1178 PolarHBondContact O-N 2.95Å; Q1175-A1178 WeakPolarHBondContact O-CB 3.48Å; Q1175-A1178 PolarHBondContact O-N 3.18Å; E1176-A1178 VanDerWaalsContact C-N 3.28Å; E1176-A1178 PolarHBondContact O-N 2.67Å; A1178-S1181 WeakPolarHBondContact O-CB 3.43Å; A1178-S1181 PolarHBondContact O-N 3.02Å; A1178-Y1182 PolarHBondContact O-N 3.1Å
1179	A	47.1	Very low	45.7	Very low	53 Å²	53	120.8 Å²	120.8	44%	0.438	59%	0.594	S	S	.	*	H	α-helix	trans	-60.1	-48.1	179.6	0	0	0	0	0	112.9	Q1175 E1176 S1181 Y1182 V1183	Q1175-A1179 PolarHBondContact O-N 3.33Å; E1176-A1179 PolarHBondContact O-N 2.77Å; A1179-S1181 VanDerWaalsContact C-N 3.26Å; A1179-S1181 PolarHBondContact O-N 3.1Å; A1179-Y1182 WeakPolarHBondContact O-CB 3.13Å; A1179-Y1182 PolarHBondContact O-N 3.41Å; A1179-V1183 PolarHBondContact O-N 2.93Å
1180	M	45.7	Very low	45	Very low	136 Å²	136	120.6 Å²	120.6	67%	0.67	59%	0.593	S	S	*	*	H	α-helix	trans	-60.1	-34.9	176.7	-84.5	-162.4	-85.1	0	0	113.2	E1176 K1184	E1176-M1180 PolarHBondContact O-N 2.89Å; M1180-K1184 PolarHBondContact O-N 2.8Å
1181	S	43.5	Very low	44.4	Very low	85 Å²	85	121.6 Å²	121.6	59%	0.594	60%	0.597	S	S	*	*	H	α-helix	trans	-68.4	-38.9	175.2	-153.8	0	0	0	0	111.5	R1177 A1178 A1179 K1184 L1185	R1177-S1181 PolarHBondContact O-N 2.55Å; A1178-S1181 WeakPolarHBondContact O-CB 3.43Å; A1178-S1181 PolarHBondContact O-N 3.02Å; A1179-S1181 VanDerWaalsContact C-N 3.26Å; A1179-S1181 PolarHBondContact O-N 3.1Å; S1181-K1184 PolarHBondContact O-N 3.1Å; S1181-L1185 PolarHBondContact O-N 3Å; S1181-L1185 VanDerWaalsContact O-N 3.09Å
1182	Y	39.9	Very low	43.8	Very low	177 Å²	177	122.2 Å²	122.2	69%	0.694	60%	0.602	S	S	*	*	H	α-helix	trans	-66.1	-39.1	177.7	-135.2	-91.4	0	0	0	112.9	A1178 A1179 L1185 R1186	A1178-Y1182 PolarHBondContact O-N 3.1Å; A1179-Y1182 WeakPolarHBondContact O-CB 3.13Å; A1179-Y1182 PolarHBondContact O-N 3.41Å; Y1182-L1185 WeakPolarHBondContact O-CB 3.35Å; Y1182-L1185 PolarHBondContact O-N 3.44Å; Y1182-R1186 PolarHBondContact O-N 3.29Å
1183	V	46.5	Very low	43	Very low	94 Å²	94	119.6 Å²	119.6	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-63.4	-45	175.7	173.8	0	0	0	0	111.4	A1179 L1185 R1186 T1187	A1179-V1183 PolarHBondContact O-N 2.93Å; V1183-L1185 VanDerWaalsContact C-N 3.26Å; V1183-L1185 PolarHBondContact O-N 2.75Å; V1183-R1186 PolarHBondContact O-N 2.78Å; V1183-T1187 PolarHBondContact O-N 2.99Å; V1183-T1187 VanDerWaalsContact O-N 3.12Å; V1183-T1187 PolarHBondContact O-OG1 2.97Å
1184	K	42.7	Very low	42.3	Very low	161 Å²	161	125.7 Å²	125.7	70%	0.7	62%	0.619	S	S	*	*	H	α-helix	trans	-62.7	-31.8	174.4	-82.9	-175.5	173.6	177.3	0	112.8	M1180 S1181 N1188	M1180-K1184 PolarHBondContact O-N 2.8Å; S1181-K1184 PolarHBondContact O-N 3.1Å; K1184-N1188 PolarHBondContact O-ND2 3.04Å
1185	L	39.9	Very low	41.6	Very low	117 Å²	117	130.1 Å²	130.1	61%	0.613	63%	0.63	S	S	*	*	H	α-helix	trans	-70.2	-43	174	-158.7	70.4	0	0	0	111.8	S1181 Y1182 V1183 T1187 N1188 L1189	S1181-L1185 PolarHBondContact O-N 3Å; S1181-L1185 VanDerWaalsContact O-N 3.09Å; Y1182-L1185 WeakPolarHBondContact O-CB 3.35Å; Y1182-L1185 PolarHBondContact O-N 3.44Å; V1183-L1185 VanDerWaalsContact C-N 3.26Å; V1183-L1185 PolarHBondContact O-N 2.75Å; L1185-T1187 PolarHBondContact O-N 2.99Å; L1185-N1188 PolarHBondContact O-N 3.24Å; L1185-L1189 PolarHBondContact O-N 3.47Å
1186	R	38.8	Very low	40.5	Very low	177 Å²	177	125.8 Å²	125.8	67%	0.668	62%	0.624	S	S	*	*	H	α-helix	trans	-61.3	-43.6	-179.6	-164.1	177.2	-170.2	-178.5	2.5	112.7	Y1182 V1183 N1188 L1189 Q1190	Y1182-R1186 PolarHBondContact O-N 3.29Å; V1183-R1186 PolarHBondContact O-N 2.78Å; R1186-N1188 PolarHBondContact O-N 3.24Å; R1186-L1189 PolarHBondContact O-N 2.84Å; R1186-Q1190 WeakPolarHBondContact O-CG 3.46Å; R1186-Q1190 PolarHBondContact O-N 2.94Å
1187	T	43.3	Very low	39.6	Very low	76 Å²	76	127.5 Å²	127.5	47%	0.466	64%	0.643	S	S	.	*	H	α-helix	trans	-62.7	-42.2	179.7	-42.4	0	0	0	0	111.8	V1183 L1185	V1183-T1187 PolarHBondContact O-N 2.99Å; V1183-T1187 VanDerWaalsContact O-N 3.12Å; V1183-T1187 PolarHBondContact O-OG1 2.97Å; L1185-T1187 PolarHBondContact O-N 2.99Å
1188	N	36.8	Very low	38.9	Very low	118 Å²	118	124.6 Å²	124.6	63%	0.631	65%	0.648	S	S	*	*	H	α-helix	trans	-68.6	-37	176.3	-77.6	-72.6	0	0	0	112.3	K1184 L1185 R1186 H1191 A1192	K1184-N1188 PolarHBondContact O-ND2 3.04Å; L1185-N1188 PolarHBondContact O-N 3.24Å; R1186-N1188 PolarHBondContact O-N 3.24Å; N1188-H1191 PolarHBondContact O-N 2.74Å; N1188-A1192 PolarHBondContact O-N 2.94Å
1189	L	35.5	Very low	38.2	Very low	107 Å²	107	128.9 Å²	128.9	56%	0.56	66%	0.662	S	S	*	*	H	α-helix	trans	-68.1	-37.1	178.9	-156.9	73.6	0	0	0	112.3	L1185 R1186 H1191 A1192 I1193	L1185-L1189 PolarHBondContact O-N 3.47Å; R1186-L1189 PolarHBondContact O-N 2.84Å; L1189-H1191 VanDerWaalsContact C-N 3.3Å; L1189-H1191 PolarHBondContact O-N 3.23Å; L1189-A1192 PolarHBondContact O-N 2.99Å; L1189-A1192 VanDerWaalsContact O-N 3.13Å; L1189-I1193 HydrophobicContact CD2-CD1 4.38Å; L1189-I1193 HydrophobicContact CG-CD1 4.06Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.42Å; L1189-I1193 PolarHBondContact O-N 3.5Å
1190	Q	39.4	Very low	37.3	Very low	126 Å²	126	133.8 Å²	133.8	59%	0.589	68%	0.677	S	S	*	*	H	α-helix	trans	-65.5	-29.2	177	-75.2	176.8	-59.8	0	0	113.3	R1186	R1186-Q1190 WeakPolarHBondContact O-CG 3.46Å; R1186-Q1190 PolarHBondContact O-N 2.94Å
1191	H	37.2	Very low	36.6	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.745	68%	0.683	S	S	*	*	H	α-helix	trans	-75	-29.1	171.2	-84.7	-57	0	0	0	113.6	N1188 L1189	N1188-H1191 PolarHBondContact O-N 2.74Å; L1189-H1191 VanDerWaalsContact C-N 3.3Å; L1189-H1191 PolarHBondContact O-N 3.23Å
1192	A	33.7	Very low	35.8	Very low	67 Å²	67	137.8 Å²	137.8	55%	0.554	69%	0.69	S	S	*	*	H	α-helix	trans	-72.9	-36.3	179	0	0	0	0	0	113.2	N1188 L1189 R1194	N1188-A1192 PolarHBondContact O-N 2.94Å; L1189-A1192 PolarHBondContact O-N 2.99Å; L1189-A1192 VanDerWaalsContact O-N 3.13Å; A1192-R1194 VanDerWaalsContact C-N 3.26Å; A1192-R1194 PolarHBondContact O-N 3.29Å
1193	I	33.8	Very low	35.2	Very low	125 Å²	125	136.8 Å²	136.8	64%	0.641	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-12.1	-170.6	-69.9	167.1	0	0	0	113.7	L1189 R1195	L1189-I1193 HydrophobicContact CD2-CD1 4.38Å; L1189-I1193 HydrophobicContact CG-CD1 4.06Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.42Å; L1189-I1193 PolarHBondContact O-N 3.5Å; I1193-R1195 PolarHBondContact O-N 3.06Å; I1193-R1195 VanDerWaalsContact O-N 3.13Å
1194	R	38.3	Very low	34.3	Very low	232 Å²	232	140.8 Å²	140.8	88%	0.875	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	13.2	177.9	-90.9	-173.2	172.9	-177.5	-0.7	115.5	A1192	A1192-R1194 VanDerWaalsContact C-N 3.26Å; A1192-R1194 PolarHBondContact O-N 3.29Å
1195	R	36.6	Very low	33.7	Very low	241 Å²	241	141.7 Å²	141.7	91%	0.909	72%	0.715	S	S	*	*	S	Bend	trans	-145	107.6	174	-65.8	-173.1	-178.1	178.5	1.8	113.4	I1193	I1193-R1195 PolarHBondContact O-N 3.06Å; I1193-R1195 VanDerWaalsContact O-N 3.13Å
1196	G	27.8	Very low	33.5	Very low	57 Å²	57	140.8 Å²	140.8	59%	0.588	72%	0.716	S	S	*	*			trans	135.1	120.3	173.5	0	0	0	0	0	111.1
1197	T	31	Very low	32.9	Very low	146 Å²	146	140.4 Å²	140.4	90%	0.896	73%	0.726	S	S	*	*				57.6	136.5	72.3	64.9	0	0	0	0	113.6
1198	S	32.9	Very low	32.1	Very low	103 Å²	103	142.8 Å²	142.8	72%	0.72	74%	0.74	S	S	*	*			cis	178.5	176.2	-7.8	-175.9	0	0	0	0	106.7
1199	L	30.9	Very low	31.8	Very low	148 Å²	148	146.2 Å²	146.2	78%	0.775	75%	0.752	S	S	*	*			trans	82.3	129.6	176	-50.3	159.3	0	0	0	112.7
1200	M	29.2	Very low	31.4	Very low	156 Å²	156	147.5 Å²	147.5	77%	0.768	76%	0.76	S	S	*	*				70	136.1	57.9	-59.2	-177.7	78	0	0	111.7
1201	E	30	Very low	30.9	Very low	168 Å²	168	147.8 Å²	147.8	79%	0.785	77%	0.77	S	S	*	*			cis	-138.6	150.8	22.9	-63	163.7	143.5	0	0	112.3
1202	D	28.2	Very low	30.4	Very low	137 Å²	137	148.4 Å²	148.4	73%	0.733	78%	0.775	S	S	*	*			trans	30.6	152.9	130.7	-46.1	-39.7	0	0	0	121.4
1203	D	26.8	Very low	30.1	Very low	155 Å²	155	153.7 Å²	153.7	83%	0.829	79%	0.79	S	S	*	*			cis	-136.5	149.2	43	-68.2	-45.9	0	0	0	117.1
1204	E	27.5	Very low	29.9	Very low	178 Å²	178	153.6 Å²	153.6	83%	0.832	80%	0.801	S	S	*	*			trans	12.6	123.4	149.6	-59.4	-176.1	166.2	0	0	121.2
1205	E	29.3	Very low	29.5	Very low	180 Å²	180	148 Å²	148	84%	0.841	80%	0.797	S	S	*	*				86.7	160.1	63.3	-96.2	-161.3	-153.3	0	0	115.8
1206	P	35.6	Very low	29	Very low	98 Å²	98	146.2 Å²	146.2	64%	0.636	80%	0.799	S	S	*	*			cis	-130.2	156	-15.6	34.8	-18.5	0	0	0	115.4
1207	I	26.3	Very low	29.1	Very low	170 Å²	170	147.1 Å²	147.1	87%	0.872	81%	0.809	S	S	*	*			trans	-134.9	134.5	151.2	-63.5	-176.3	0	0	0	107.9
1208	V	28.2	Very low	28.9	Very low	125 Å²	125	152.1 Å²	152.1	76%	0.758	81%	0.811	S	S	*	*			trans	-81.1	119.2	-170.7	-177.5	0	0	0	0	111.8	D1210	V1208-D1210 HydrophobicContact CG1-CB 4.45Å
1209	E	28.6	Very low	28.7	Very low	190 Å²	190	154.5 Å²	154.5	89%	0.888	81%	0.814	S	S	*	*			trans	-97.9	137.6	155.1	-69.9	-164.4	139	0	0	109.6
1210	D	27.6	Very low	28.5	Very low	134 Å²	134	156.1 Å²	156.1	72%	0.717	82%	0.818	S	S	*	*			trans	-144.5	79.5	174.8	-149.1	-9.4	0	0	0	110.2	V1208	V1208-D1210 HydrophobicContact CG1-CB 4.45Å
1211	V	28.5	Very low	28.4	Very low	133 Å²	133	155.1 Å²	155.1	81%	0.806	82%	0.816	S	S	*	*			trans	-133.9	78.9	173.3	-174.7	0	0	0	0	109	M1213	V1211-M1213 PolarHBondContact O-N 3.42Å; V1211-M1213 VanDerWaalsContact O-N 3.16Å
1212	M	28.5	Very low	28.3	Very low	173 Å²	173	154.4 Å²	154.4	85%	0.852	82%	0.816	S	S	*	*			trans	-71.8	108.3	174.3	-78.6	-155.9	-73.4	0	0	111.9
1213	M	27.3	Very low	28.2	Very low	178 Å²	178	155.9 Å²	155.9	88%	0.877	82%	0.824	S	S	*	*			trans	-68.7	129.6	158	-71.9	-75.3	-75.1	0	0	109.2	V1211	V1211-M1213 PolarHBondContact O-N 3.42Å; V1211-M1213 VanDerWaalsContact O-N 3.16Å
1214	S	27.8	Very low	28.4	Very low	123 Å²	123	156.3 Å²	156.3	86%	0.86	82%	0.821	S	S	*	*			trans	-123.9	122.6	166.5	55.2	0	0	0	0	109.3
1215	S	30.5	Very low	28.3	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	82%	0.821	S	S	*	*			trans	-119.5	106.6	-175.9	57.9	0	0	0	0	111
1216	E	26.4	Very low	28.2	Very low	203 Å²	203	149.9 Å²	149.9	95%	0.949	81%	0.814	S	S	*	*			trans	-146.7	134.9	156.3	-120.8	174.9	-163	0	0	108.4
1217	G	30.3	Very low	27.8	Very low	76 Å²	76	153.3 Å²	153.3	78%	0.784	83%	0.827	S	S	*	*			trans	-102.8	173.5	-159	0	0	0	0	0	115.4
1218	R	25.7	Very low	27.7	Very low	251 Å²	251	153.1 Å²	153.1	95%	0.947	82%	0.82	S	S	*	*			trans	-146.1	150	159.2	-105.2	175.5	-170	176.3	3.6	111.5
1219	I	29.5	Very low	27.6	Very low	154 Å²	154	154.3 Å²	154.3	79%	0.79	82%	0.823	S	S	*	*			trans	-94.3	137.3	172.4	-61.4	160.7	0	0	0	107.1
1220	E	27.3	Very low	27.6	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	82%	0.82	S	S	*	*			trans	174.5	118.9	140.5	-96.6	159.9	-151.9	0	0	112.1
1221	D	27.6	Very low	27.5	Very low	136 Å²	136	153.2 Å²	153.2	73%	0.727	83%	0.825	S	S	*	*			trans	51.7	109.8	141.6	-63.3	7.1	0	0	0	124.3
1222	L	27.7	Very low	27.5	Very low	152 Å²	152	154.4 Å²	154.4	80%	0.796	83%	0.826	S	S	*	*				52.7	108.7	117.9	-64.2	165	0	0	0	120.6
1223	N	25.5	Very low	27.6	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	82%	0.818	S	S	*	*				-165.7	106.9	124.1	-115.3	-28.2	0	0	0	111.6
1224	E	30.3	Very low	27.6	Very low	164 Å²	164	151.5 Å²	151.5	77%	0.766	82%	0.816	S	S	*	*			trans	-103.8	123.7	169	-69.9	-173.9	154.6	0	0	110
1225	G	25.5	Very low	27.8	Very low	79 Å²	79	149.5 Å²	149.5	81%	0.814	80%	0.796	S	S	*	*			trans	-93.6	110	165	0	0	0	0	0	109.1
1226	M	27.7	Very low	27.6	Very low	143 Å²	143	149.7 Å²	149.7	70%	0.704	79%	0.794	S	S	*	*			trans	-88	108.8	175.4	-65.6	-179.4	-179.2	0	0	110.3
1227	D	26.4	Very low	27.5	Very low	170 Å²	170	146.1 Å²	146.1	91%	0.909	79%	0.789	S	S	*	*			trans	-72.6	135	157.9	-74.7	-46.8	0	0	0	108.9
1228	F	24.5	Very low	27.4	Very low	166 Å²	166	146.7 Å²	146.7	73%	0.728	78%	0.781	S	S	*	*			trans	-116.1	72.5	-157.9	-151.4	-79.4	0	0	0	112.5
1229	D	25.8	Very low	27.5	Very low	151 Å²	151	144.1 Å²	144.1	81%	0.807	78%	0.776	S	S	*	*	S	Bend	trans	-136.5	133.7	172.2	-109.1	-41.4	0	0	0	111.9
1230	T	30.3	Very low	27.7	Very low	136 Å²	136	140 Å²	140	83%	0.834	76%	0.756	S	S	*	*			trans	47.7	76.9	177.5	40.4	0	0	0	0	116.6	D1232	T1230-D1232 PolarHBondContact O-N 3.3Å
1231	M	25.2	Very low	27.7	Very low	165 Å²	165	139.4 Å²	139.4	81%	0.813	75%	0.746	S	S	*	*			trans	-74.9	103.2	159.3	-68.9	-169.1	78.4	0	0	110.8
1232	D	26.8	Very low	28.2	Very low	157 Å²	157	140 Å²	140	84%	0.84	74%	0.738	S	S	*	*			trans	-65.7	146.3	156.5	-97.6	-48.7	0	0	0	110.1	T1230 D1234	T1230-D1232 PolarHBondContact O-N 3.3Å; D1232-D1234 PolarHBondContact O-N 3.26Å
1233	I	32.5	Very low	28.4	Very low	131 Å²	131	138.9 Å²	138.9	67%	0.672	73%	0.729	S	S	*	*			trans	-87.6	97.6	-173.7	-57	177.2	0	0	0	109.7	L1235	I1233-L1235 PolarHBondContact O-N 2.84Å
1234	D	25.8	Very low	28.8	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	70%	0.704	S	S	*	*			trans	-61.6	128	172	-108.1	-32.5	0	0	0	111.5	D1232	D1232-D1234 PolarHBondContact O-N 3.26Å
1235	L	33.1	Very low	28.7	Very low	82 Å²	82	132 Å²	132	43%	0.429	69%	0.692	S	S	.	*			trans	-138.3	146.3	169.7	-73.6	174.9	0	0	0	107.2	I1233	I1233-L1235 PolarHBondContact O-N 2.84Å
1236	P	25.7	Very low	29	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	68%	0.676	S	S	*	*			trans	-55.6	132.3	-177.2	22.2	-33.3	0	0	0	111.1	S1238	P1236-S1238 PolarHBondContact O-N 3.07Å
1237	P	23.9	Very low	29.2	Very low	128 Å²	128	129.9 Å²	129.9	83%	0.831	66%	0.662	S	S	*	*			trans	-75.6	89.9	-169.6	29	-35.7	0	0	0	112.2
1238	S	28.1	Very low	29.9	Very low	88 Å²	88	126.2 Å²	126.2	62%	0.615	64%	0.638	S	S	*	*			trans	-58.1	135.1	159.6	176.1	0	0	0	0	109.9	P1236	P1236-S1238 PolarHBondContact O-N 3.07Å
1239	K	29.3	Very low	30.8	Very low	196 Å²	196	121.4 Å²	121.4	85%	0.852	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-66.1	-39.1	-175.7	-69.5	179.2	179.3	176.5	0	112.4	R1241	K1239-R1241 VanDerWaalsContact C-N 3.29Å; K1239-R1241 PolarHBondContact O-N 3.03Å
1240	N	31.9	Very low	31.8	Very low	69 Å²	69	119 Å²	119	37%	0.369	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-88.2	11.9	-166.9	-53.9	31.7	0	0	0	113.1	R1242	N1240-R1242 VanDerWaalsContact C-N 3.26Å; N1240-R1242 PolarHBondContact O-N 2.89Å
1241	R	28.5	Very low	32.6	Very low	167 Å²	167	113.9 Å²	113.9	63%	0.63	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-66.6	-21.3	-174.9	-176.7	172.3	173.9	-167.4	-3.7	114	K1239 T1245	K1239-R1241 VanDerWaalsContact C-N 3.29Å; K1239-R1241 PolarHBondContact O-N 3.03Å; R1241-T1245 PolarHBondContact O-OG1 2.97Å
1242	R	37.5	Very low	33.8	Very low	148 Å²	148	106.6 Å²	106.6	56%	0.558	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-46.2	-169.3	-72.7	-175.9	174	177	-2.8	114.3	K382 N1240 R1244 T1245	K382-R1242 PolarHBondContact O-NH1 2.83Å; N1240-R1242 VanDerWaalsContact C-N 3.26Å; N1240-R1242 PolarHBondContact O-N 2.89Å; R1242-R1244 VanDerWaalsContact C-N 3.33Å; R1242-R1244 PolarHBondContact O-N 3.19Å; R1242-T1245 WeakPolarHBondContact O-CB 3.35Å; R1242-T1245 PolarHBondContact O-N 3.47Å; R1242-T1245 PolarHBondContact O-OG1 2.72Å
1243	E	31.6	Very low	34.5	Very low	130 Å²	130	102.4 Å²	102.4	61%	0.607	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-62.3	-38.2	-175.6	-72.7	142.1	161.4	0	0	112.6	T1245	E1243-T1245 PolarHBondContact O-N 3.11Å
1244	R	34.1	Very low	34.4	Very low	103 Å²	103	100.1 Å²	100.1	39%	0.389	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-68	1.3	175.9	-64	-169.3	-178.7	-170.4	2.2	114.9	D895 R1242 K1248	D895-R1244 IonicContact OD1-NH1 2.75Å; R1242-R1244 VanDerWaalsContact C-N 3.33Å; R1242-R1244 PolarHBondContact O-N 3.19Å; R1244-K1248 WeakPolarHBondContact O-CE 3.24Å
1245	T	28.9	Very low	34.6	Very low	84 Å²	84	95.2 Å²	95.2	52%	0.515	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-93.1	-27.7	-174.9	-22.8	0	0	0	0	114.3	R1241 R1242 E1243	R1241-T1245 PolarHBondContact O-OG1 2.97Å; R1242-T1245 WeakPolarHBondContact O-CB 3.35Å; R1242-T1245 PolarHBondContact O-N 3.47Å; R1242-T1245 PolarHBondContact O-OG1 2.72Å; E1243-T1245 PolarHBondContact O-N 3.11Å
1246	E	31.3	Very low	34.5	Very low	98 Å²	98	91.9 Å²	91.9	46%	0.458	48%	0.477	S	S	.	.	S	Bend	trans	-103.4	-0.4	-162.9	-59.2	-174.4	157.9	0	0	114
1247	L	31.2	Very low	34.7	Very low	81 Å²	81	88.8 Å²	88.8	42%	0.424	45%	0.454	S	S	.	.	S	Bend	trans	-114	37.3	179	-66.6	174	0	0	0	112.9	V539 P1249	V539-L1247 HydrophobicContact CB-CD2 4.5Å; V539-L1247 HydrophobicContact CG1-CD2 3.94Å; V539-L1247 HydrophobicContact CG2-CD2 4.06Å; L1247-P1249 WeakPolarHBondContact O-CD 3.42Å
1248	K	42.5	Very low	35	Very low	93 Å²	93	87.7 Å²	87.7	40%	0.404	44%	0.438	S	S	.	.			trans	-104.8	114.1	-174.1	-65.8	-165.3	171.3	-157.9	0	112.9	D898 R1244	D898-K1248 WeakPolarHBondContact OD2-CD 3.49Å; D898-K1248 IonicContact OD2-NZ 3.75Å; D898-K1248 PolarHBondContact OD2-NZ 2.92Å; R1244-K1248 WeakPolarHBondContact O-CE 3.24Å
1249	P	42.6	Very low	34.9	Very low	65 Å²	65	87.4 Å²	87.4	42%	0.422	43%	0.43	S	S	.	.			trans	-63.6	151.5	166.3	-19	31.7	0	0	0	111.9	L1247 F1251	L1247-P1249 WeakPolarHBondContact O-CD 3.42Å; P1249-F1251 HydrophobicContact CB-CD2 4.47Å; P1249-F1251 HydrophobicContact CB-CE2 4.11Å; P1249-F1251 HydrophobicContact CB-CZ 4.17Å; P1249-F1251 HydrophobicContact CG-CE2 4.24Å; P1249-F1251 HydrophobicContact CG-CZ 4.02Å; P1249-F1251 VanDerWaalsContact O-CD2 3.23Å; P1249-F1251 WeakPolarHBondContact O-CD2 3.45Å; P1249-F1251 WeakPolarHBondContact O-CE2 3.31Å; P1249-F1251 PolarHBondContact O-N 3.12Å
1250	D	46.1	Very low	34.8	Very low	100 Å²	100	81.8 Å²	81.8	54%	0.535	41%	0.407	S	S	.	.			trans	-85.7	94.8	165.6	-167.5	-20.7	0	0	0	109.6	F1252 D1253 S1256	D1250-F1252 PolarHBondContact O-N 2.93Å; D1250-F1252 PolarHBondContact OD1-N 3.19Å; D1250-D1253 HydrophobicContact CB-CB 4.42Å; D1250-D1253 PolarHBondContact OD1-N 3.23Å; D1250-S1256 PolarHBondContact O-OG 3.48Å
1251	F	49	Very low	34.6	Very low	28 Å²	28	82.8 Å²	82.8	12%	0.123	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-0	178.2	-61.9	-88.6	0	0	0	114.1	A866 P1249	A866-F1251 HydrophobicContact CB-CB 4.07Å; A866-F1251 HydrophobicContact CB-CD1 3.76Å; A866-F1251 HydrophobicContact CB-CG 4.1Å; P1249-F1251 HydrophobicContact CB-CD2 4.47Å; P1249-F1251 HydrophobicContact CB-CE2 4.11Å; P1249-F1251 HydrophobicContact CB-CZ 4.17Å; P1249-F1251 HydrophobicContact CG-CE2 4.24Å; P1249-F1251 HydrophobicContact CG-CZ 4.02Å; P1249-F1251 VanDerWaalsContact O-CD2 3.23Å; P1249-F1251 WeakPolarHBondContact O-CD2 3.45Å; P1249-F1251 WeakPolarHBondContact O-CE2 3.31Å; P1249-F1251 PolarHBondContact O-N 3.12Å
1252	F	48.9	Very low	34.5	Very low	12 Å²	12	75.7 Å²	75.7	5%	0.053	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	14.4	-174.9	-62.8	-81.6	0	0	0	114.8	C869 V873 I899 E902 T903 K906 D1250	C869-F1252 HydrophobicContact CB-CE1 4.03Å; C869-F1252 HydrophobicContact CB-CZ 3.85Å; V873-F1252 HydrophobicContact CG1-CE1 4.34Å; V873-F1252 HydrophobicContact CG2-CD1 4.24Å; V873-F1252 HydrophobicContact CG2-CE1 4.3Å; I899-F1252 HydrophobicContact CG2-CE2 4.11Å; I899-F1252 HydrophobicContact CG2-CZ 4.04Å; E902-F1252 HydrophobicContact CB-CD2 3.97Å; E902-F1252 HydrophobicContact CB-CE2 4.09Å; E902-F1252 HydrophobicContact CG-CB 4.31Å; E902-F1252 HydrophobicContact CG-CD2 3.91Å; E902-F1252 HydrophobicContact CG-CE2 4.49Å; E902-F1252 HydrophobicContact CG-CG 4.17Å; T903-F1252 WeakPolarHBondContact OG1-CZ 3.38Å; K906-F1252 PolarHBondContact NZ-O 2.84Å; D1250-F1252 PolarHBondContact O-N 2.93Å; D1250-F1252 PolarHBondContact OD1-N 3.19Å
1253	D	41.3	Very low	34.2	Very low	69 Å²	69	69.8 Å²	69.8	37%	0.369	37%	0.374	S	S	.	.			trans	-74.1	128	169	-171.2	-16.4	0	0	0	109.8	D1250 A1255 S1256 I1257	D1250-D1253 HydrophobicContact CB-CB 4.42Å; D1250-D1253 PolarHBondContact OD1-N 3.23Å; D1253-A1255 PolarHBondContact O-N 3.47Å; D1253-A1255 VanDerWaalsContact O-N 3.08Å; D1253-A1255 WeakPolarHBondContact OD1-CB 3.29Å; D1253-A1255 PolarHBondContact OD1-N 2.84Å; D1253-S1256 PolarHBondContact N-OG 2.74Å; D1253-S1256 PolarHBondContact O-N 3.42Å; D1253-S1256 PolarHBondContact O-OG 2.7Å; D1253-I1257 PolarHBondContact O-N 2.9Å
1254	P	32.1	Very low	34.1	Very low	83 Å²	83	65.6 Å²	65.6	54%	0.539	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.6	169.9	-26.5	36.4	0	0	0	114.7
1255	A	28.5	Very low	33.9	Very low	56 Å²	56	61.1 Å²	61.1	46%	0.463	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.6	169.8	0	0	0	0	0	113.5	D1253 I1257 M1258 D1259	D1253-A1255 PolarHBondContact O-N 3.47Å; D1253-A1255 VanDerWaalsContact O-N 3.08Å; D1253-A1255 WeakPolarHBondContact OD1-CB 3.29Å; D1253-A1255 PolarHBondContact OD1-N 2.84Å; A1255-I1257 PolarHBondContact O-N 3.2Å; A1255-M1258 CarbonylContact O-C 3.51Å; A1255-M1258 PolarHBondContact O-N 2.72Å; A1255-D1259 PolarHBondContact O-N 3.33Å
1256	S	31.6	Very low	33.6	Very low	13 Å²	13	58 Å²	58	9%	0.091	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-76	-6.5	175.4	66	0	0	0	0	113.6	D1250 D1253 M1258 D1259	D1250-S1256 PolarHBondContact O-OG 3.48Å; D1253-S1256 PolarHBondContact N-OG 2.74Å; D1253-S1256 PolarHBondContact O-N 3.42Å; D1253-S1256 PolarHBondContact O-OG 2.7Å; S1256-M1258 PolarHBondContact O-N 2.95Å; S1256-D1259 PolarHBondContact O-N 3.27Å
1257	I	30.9	Very low	33.2	Very low	54 Å²	54	56.2 Å²	56.2	28%	0.277	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-71.2	-7.5	162.6	-60.4	176.5	0	0	0	111.7	Y874 D1253 A1255 L1263	Y874-I1257 HydrophobicContact CE2-CD1 3.55Å; Y874-I1257 VanDerWaalsContact OH-CD1 3.28Å; Y874-I1257 WeakPolarHBondContact OH-CD1 3.46Å; D1253-I1257 PolarHBondContact O-N 2.9Å; A1255-I1257 PolarHBondContact O-N 3.2Å; I1257-L1263 VanDerWaalsContact O-CD1 3.26Å; I1257-L1263 WeakPolarHBondContact O-CD1 3.48Å
1258	M	28.5	Very low	33.3	Very low	104 Å²	104	62.9 Å²	62.9	51%	0.512	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-129.9	21.1	172.1	-58	-179.6	-60	0	0	111.9	A1255 S1256 F1268	A1255-M1258 CarbonylContact O-C 3.51Å; A1255-M1258 PolarHBondContact O-N 2.72Å; S1256-M1258 PolarHBondContact O-N 2.95Å; M1258-F1268 HydrophobicContact SD-CD2 4.13Å; M1258-F1268 HydrophobicContact SD-CE2 4.21Å
1259	D	26.1	Very low	32.8	Very low	82 Å²	82	61.4 Å²	61.4	44%	0.439	35%	0.347	S	S	.	.			trans	-95.4	126.8	175.1	-177.4	-7	0	0	0	109.1	A1255 S1256 S1261 V1262	A1255-D1259 PolarHBondContact O-N 3.33Å; S1256-D1259 PolarHBondContact O-N 3.27Å; D1259-S1261 PolarHBondContact O-N 2.9Å; D1259-S1261 PolarHBondContact OD1-OG 3.29Å; D1259-V1262 PolarHBondContact O-N 3.05Å; D1259-V1262 VanDerWaalsContact O-N 3.07Å
1260	E	28.4	Very low	32.3	Very low	79 Å²	79	61.2 Å²	61.2	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-54.8	-33.4	-167	-60.9	-159.1	148.6	0	0	113.1	K634 V1262 G1264 S1266	K634-E1260 IonicContact NZ-OE2 2.7Å; E1260-V1262 VanDerWaalsContact C-N 3.27Å; E1260-V1262 PolarHBondContact O-N 2.78Å; E1260-G1264 PolarHBondContact O-N 3.17Å; E1260-G1264 VanDerWaalsContact O-N 3.08Å; E1260-S1266 WeakPolarHBondContact OE1-CB 3.41Å; E1260-S1266 PolarHBondContact OE1-OG 3.16Å
1261	S	27.6	Very low	31.5	Very low	89 Å²	89	59.1 Å²	59.1	62%	0.622	33%	0.332	S	S	*	.	H	α-helix	trans	-65	-21.3	-178	67.2	0	0	0	0	115.4	D1259	D1259-S1261 PolarHBondContact O-N 2.9Å; D1259-S1261 PolarHBondContact OD1-OG 3.29Å
1262	V	26.8	Very low	30.5	Very low	18 Å²	18	60.9 Å²	60.9	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-102.7	-25.7	-173.3	178.6	0	0	0	0	112.8	D1259 E1260	D1259-V1262 PolarHBondContact O-N 3.05Å; D1259-V1262 VanDerWaalsContact O-N 3.07Å; E1260-V1262 VanDerWaalsContact C-N 3.27Å; E1260-V1262 PolarHBondContact O-N 2.78Å
1263	L	30.1	Very low	29.4	Very low	24 Å²	24	63.9 Å²	63.9	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-100.5	-19.5	178	-72.4	175.1	0	0	0	113.6	D793 I1257 V1265 M1267	D793-L1263 HydrophobicContact CB-CD2 4.45Å; I1257-L1263 VanDerWaalsContact O-CD1 3.26Å; I1257-L1263 WeakPolarHBondContact O-CD1 3.48Å; L1263-V1265 HydrophobicContact CB-CB 4.29Å; L1263-V1265 PolarHBondContact O-N 2.8Å; L1263-M1267 HydrophobicContact CD1-CB 4.39Å; L1263-M1267 HydrophobicContact CD1-CE 3.4Å; L1263-M1267 VanDerWaalsContact CD1-CE 3.4Å; L1263-M1267 HydrophobicContact CD1-CG 4.08Å
1264	G	28.9	Very low	28.6	Very low	42 Å²	42	63.6 Å²	63.6	43%	0.433	36%	0.363	S	S	.	.	S	Bend	trans	62.4	18.2	-167.6	0	0	0	0	0	112.9	N699 E1260	N699-G1264 PolarHBondContact ND2-O 3.1Å; N699-G1264 PolarHBondContact OD1-O 3.49Å; E1260-G1264 PolarHBondContact O-N 3.17Å; E1260-G1264 VanDerWaalsContact O-N 3.08Å
1265	V	29.6	Very low	28.3	Very low	9 Å²	9	62.2 Å²	62.2	6%	0.055	35%	0.35	C	S	.	.	S	Bend	trans	-137.4	132.4	-177.6	177.6	0	0	0	0	108.6	N699 Y739 L742 L1263 M1267	N699-V1265 WeakPolarHBondContact OD1-CA 3.41Å; Y739-V1265 HydrophobicContact CD1-CG2 3.9Å; Y739-V1265 HydrophobicContact CE1-CG2 3.66Å; L742-V1265 HydrophobicContact CD1-CG1 4.28Å; L742-V1265 HydrophobicContact CD1-CG2 4.06Å; L1263-V1265 HydrophobicContact CB-CB 4.29Å; L1263-V1265 PolarHBondContact O-N 2.8Å; V1265-M1267 HydrophobicContact CB-CG 4.42Å; V1265-M1267 HydrophobicContact CG1-CG 3.82Å; V1265-M1267 PolarHBondContact O-N 3.21Å; V1265-M1267 VanDerWaalsContact O-N 3.12Å
1266	S	23.2	Very low	28.3	Very low	20 Å²	20	62.7 Å²	62.7	14%	0.14	34%	0.341	C	S	.	.			trans	-72.5	98.2	168.9	-161.9	0	0	0	0	108.7	E1260	E1260-S1266 WeakPolarHBondContact OE1-CB 3.41Å; E1260-S1266 PolarHBondContact OE1-OG 3.16Å
1267	M	23.8	Very low	28	Very low	59 Å²	59	66.8 Å²	66.8	29%	0.291	36%	0.362	S	S	.	.			trans	-102.5	93.9	176.5	-77.6	-130.4	-76.7	0	0	110.4	I797 L1263 V1265	I797-M1267 HydrophobicContact CD1-CE 4.38Å; L1263-M1267 HydrophobicContact CD1-CB 4.39Å; L1263-M1267 HydrophobicContact CD1-CE 3.4Å; L1263-M1267 VanDerWaalsContact CD1-CE 3.4Å; L1263-M1267 HydrophobicContact CD1-CG 4.08Å; V1265-M1267 HydrophobicContact CB-CG 4.42Å; V1265-M1267 HydrophobicContact CG1-CG 3.82Å; V1265-M1267 PolarHBondContact O-N 3.21Å; V1265-M1267 VanDerWaalsContact O-N 3.12Å
1268	F	32.4	Very low	27.8	Very low	222 Å²	222	68 Å²	68	97%	0.974	37%	0.37	S	S	*	.			trans	87.3	0	-177.7	-53.2	-67.4	0	0	0	116.3	M1258	M1258-F1268 HydrophobicContact SD-CD2 4.13Å; M1258-F1268 HydrophobicContact SD-CE2 4.21Å

Retrieved 1,268 of 1,268 residues in 303.3 ms (Link to these results)

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