A0A087XLT2_POEFO Loading...

Pre-mRNA-processing factor 6

Involved in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex, one of the building blocks of the spliceosome. Enhances dihydrotestosterone-induced transactivation activity of AR, as well as dexamethasone-induced transactivation activity of NR3C1, but does not affect estrogen-induced transactivation.

AlphaFold DB , UniProt , Accession A0A087XLT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 982 aa.

						>A0A087XLT2_POEFO|A0A087XLT2
VRGTMASNAAKQATKIVPKTAAGGTAAAGASGGPPVMPLASPLMGKKKKPFLGMPAPLGYVPGLGRGATGFTTRSDIGPARDANDPVDDRHAPPGKRTVGDQMKKNQDDDDEDLNDTNYDEFNGYAGSLFSSGPYEKDDEEADAIYAALDKRMDERRKERRELREKEEIEKYRMERPKIQQQFSDLKRKLAEVSEEEWLSIPEVGDARNKRQRNPRHEKLTPVPDSFFSKHLQSGENHTSVDPLQGVSIYANTHKLGGLNTPYPGSMTPGLMTPGTGELDMRKIGQARNTLMDMRLSQVSDSVSGQTVVDPKGYLTDLNSMIPTYGGDISDIKKARLLLKSVRETNPHHPPAWIASARLEEVTGKLQVARNLIMKGTEMCPKSEDVWLEAARLQPGDTAKAVVAQAVRHLPQSVRIYIRAAELETDIRAKKRVLRKALENVSKSVRLWKAAVELEEPEDARIMLSRAVECCPTSVELWLALARLETYENARRVLNKARENIPTDRHIWITAAKLEEANDNTQMVEKIIDRAITSLRANGVEINREQWIQDAEECDKAGSVATCQAVIRAVIGIGIEEEDRKHTWMEDADSCVAHGALECARAIYAHALQVFPSKKSVWLRAAYFEKNHGTRESLEALLQRAVAHCPKAEVLWLMGAKSKWLANDVPAARSILALAFQANPNSEEIWLAAVKLESENNEYERARRLLAKARSSAPTARVFMKSVKLEWVLGNIEAAQELCTEALKHYEDFPKLWMMRGQIEEQCENMDKAREAYNQGLKKCPHSAPLWLLLSRLEERVGQLTRARAILEKARLKNPQSPDLWLESVRLEYRAGLKNIANTLMAKALQECPNSGILWAEAVFLEARPQRKTKSVDALKKCEHDPHVLLAVAKLFWSERKITKSREWFLRTVKIEPDLGDAWALFYKFELQHGTEEQQEEVRKRCENAEPRHGELWCAESKHVLNWQRKTGEILALVASKIKNTF
					

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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	V	33.9	Very low	28.9	Very low	194 Å²	194	144.3 Å²	144.3	100%	1.176	86%	0.856	S	S	*	*				0	142.7	0	168.1	0	0	0	0	108.6
2	R	27.8	Very low	28.8	Very low	243 Å²	243	148.2 Å²	148.2	92%	0.917	86%	0.859	S	S	*	*			trans	-7.5	137.2	174.5	-62	173.3	177.3	170.4	-1.8	117.2
3	G	28.2	Very low	28.7	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	85%	0.85	S	S	*	*			cis	109.1	132.6	37.1	0	0	0	0	0	107.7
4	T	30.8	Very low	28.6	Very low	137 Å²	137	142.8 Å²	142.8	84%	0.84	85%	0.847	S	S	*	*				-153.7	135.2	69.4	45.6	0	0	0	0	110.2
5	M	28.3	Very low	28.4	Very low	177 Å²	177	146.1 Å²	146.1	87%	0.872	85%	0.847	S	S	*	*				57.5	109.4	59.3	-82.6	-161.2	170.8	0	0	116.7
6	A	27.7	Very low	28.1	Very low	114 Å²	114	145.6 Å²	145.6	94%	0.942	84%	0.838	S	S	*	*			trans	-148.3	94.9	145.5	0	0	0	0	0	109.2
7	S	28.1	Very low	28	Very low	88 Å²	88	144.5 Å²	144.5	62%	0.615	83%	0.834	S	S	*	*			trans	-129.4	130.5	171.5	58.8	0	0	0	0	108.8
8	N	28	Very low	28.6	Very low	168 Å²	168	142.6 Å²	142.6	90%	0.898	83%	0.827	S	S	*	*			trans	175.7	149.1	156.5	-94.5	-22	0	0	0	109.1
9	A	27.5	Very low	28.6	Very low	91 Å²	91	145.3 Å²	145.3	75%	0.752	83%	0.828	S	S	*	*			cis	-148.5	159.2	-2.7	0	0	0	0	0	110.9
10	A	29	Very low	28.6	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	83%	0.833	S	S	*	*			trans	-88	163.5	172.1	0	0	0	0	0	112.3
11	K	29.1	Very low	28.7	Very low	213 Å²	213	143.4 Å²	143.4	93%	0.926	83%	0.832	S	S	*	*			trans	-170.2	129.4	135.1	-106	162.3	-173.5	-178.9	0	113
12	Q	26.9	Very low	28.5	Very low	191 Å²	191	139.3 Å²	139.3	89%	0.893	82%	0.819	S	S	*	*			trans	-90.5	150.9	153.1	-68	175	-21.6	0	0	108.6
13	A	27.6	Very low	28.5	Very low	89 Å²	89	131.5 Å²	131.5	74%	0.736	81%	0.814	S	S	*	*			trans	173	139.3	132.2	0	0	0	0	0	114.6
14	T	27.3	Very low	28.5	Very low	132 Å²	132	131.6 Å²	131.6	81%	0.81	82%	0.815	S	S	*	*			trans	55.1	101.4	143	56.4	0	0	0	0	123.5
15	K	26.2	Very low	28.4	Very low	193 Å²	193	132 Å²	132	84%	0.839	82%	0.817	S	S	*	*				36.8	138.8	103.3	-112.7	-178.3	178.4	-179.1	0	121
16	I	23.8	Very low	28.4	Very low	138 Å²	138	128.1 Å²	128.1	71%	0.708	81%	0.814	S	S	*	*			trans	106.1	101.5	142.7	-67.3	161.1	0	0	0	119.6
17	V	26.1	Very low	28.4	Very low	127 Å²	127	127.4 Å²	127.4	77%	0.77	81%	0.808	S	S	*	*				64.8	149	124.1	169.1	0	0	0	0	120.1
18	P	38.5	Very low	28.4	Very low	110 Å²	110	128.3 Å²	128.3	71%	0.714	82%	0.82	S	S	*	*			cis	-140.4	-174.4	-26.3	40.8	-21.1	0	0	0	116.6
19	K	29	Very low	28.4	Very low	193 Å²	193	123.7 Å²	123.7	84%	0.839	81%	0.813	S	S	*	*			trans	-27.2	155.6	157.2	-57.6	173	174.6	179.6	0	118.9
20	T	27.6	Very low	28.5	Very low	152 Å²	152	124.3 Å²	124.3	93%	0.933	82%	0.818	S	S	*	*				-136.1	168.9	126.6	-5.3	0	0	0	0	109
21	A	32.2	Very low	28.4	Very low	99 Å²	99	125.6 Å²	125.6	82%	0.818	82%	0.821	S	S	*	*			trans	-155.6	151.2	-171	0	0	0	0	0	114.8
22	A	29.2	Very low	28.3	Very low	108 Å²	108	119.6 Å²	119.6	89%	0.893	82%	0.82	S	S	*	*			trans	-155.8	140.9	162.6	0	0	0	0	0	110.1
23	G	26.9	Very low	28.2	Very low	80 Å²	80	114.1 Å²	114.1	83%	0.825	82%	0.815	S	S	*	*			cis	-168.4	165.2	-6.7	0	0	0	0	0	114.4
24	G	28.1	Very low	28.8	Very low	71 Å²	71	115.9 Å²	115.9	73%	0.732	82%	0.819	S	S	*	*			trans	80.6	167.3	172.8	0	0	0	0	0	116.6
25	T	29.5	Very low	29.5	Very low	145 Å²	145	114.6 Å²	114.6	89%	0.89	81%	0.813	S	S	*	*			cis	-172.1	142.5	-27.2	14.2	0	0	0	0	106.9
26	A	27.3	Very low	29.5	Very low	96 Å²	96	112 Å²	112	79%	0.793	81%	0.813	S	S	*	*			cis	-154.1	-144.9	-2.3	0	0	0	0	0	112.2
27	A	28.3	Very low	29.8	Very low	100 Å²	100	113.8 Å²	113.8	83%	0.826	82%	0.82	S	S	*	*			trans	-41.2	158.8	179.1	0	0	0	0	0	118.9
28	A	28.2	Very low	30.4	Very low	106 Å²	106	112.8 Å²	112.8	88%	0.876	82%	0.816	S	S	*	*			cis	-175.6	172.4	-15.6	0	0	0	0	0	107.6
29	G	27.5	Very low	29.8	Very low	71 Å²	71	115.4 Å²	115.4	73%	0.732	82%	0.823	S	S	*	*			cis	166.5	155.6	-7.4	0	0	0	0	0	111.8
30	A	29.9	Very low	29.7	Very low	105 Å²	105	111 Å²	111	87%	0.868	82%	0.823	S	S	*	*			trans	65.9	149.6	175.8	0	0	0	0	0	118.2
31	S	27.6	Very low	29.7	Very low	118 Å²	118	109.4 Å²	109.4	83%	0.825	82%	0.818	S	S	*	*			cis	-172.6	150.3	-15.7	50.1	0	0	0	0	111.9
32	G	26.9	Very low	29.9	Very low	87 Å²	87	110.5 Å²	110.5	90%	0.897	82%	0.816	S	S	*	*			trans	100.8	147.3	159.9	0	0	0	0	0	118.1
33	G	24.5	Very low	30.1	Very low	76 Å²	76	113.7 Å²	113.7	78%	0.784	82%	0.818	S	S	*	*			trans	-143.7	-161.7	171.8	0	0	0	0	0	110.7
34	P	40.1	Very low	30.5	Very low	126 Å²	126	119.3 Å²	119.3	82%	0.818	83%	0.825	S	S	*	*			cis	-115.3	-128.4	-17.2	35.6	-14	0	0	0	108.6
35	P	42.9	Very low	30.8	Very low	106 Å²	106	119.9 Å²	119.9	69%	0.688	83%	0.83	S	S	*	*			cis	-130.2	-158.6	-32.7	29.5	-5.1	0	0	0	114.1
36	V	26.5	Very low	31.4	Very low	138 Å²	138	123.1 Å²	123.1	84%	0.836	83%	0.832	S	S	*	*			trans	86.3	147	159.2	-157.2	0	0	0	0	119.3
37	M	28.6	Very low	32.4	Very low	176 Å²	176	128.4 Å²	128.4	87%	0.867	84%	0.837	S	S	*	*			trans	-80.4	-167.6	171.4	-55.1	-168.4	180	0	0	111.5
38	P	39.3	Very low	33.3	Very low	105 Å²	105	133.3 Å²	133.3	68%	0.682	84%	0.84	S	S	*	*			cis	-143.7	-178	-0.3	44.1	-24.2	0	0	0	118.4
39	L	26	Very low	34.7	Very low	166 Å²	166	135.2 Å²	135.2	87%	0.869	83%	0.829	S	S	*	*			trans	58.7	120.1	148.2	-74.7	158.1	0	0	0	122.1
40	A	26.6	Very low	36.2	Very low	100 Å²	100	137.4 Å²	137.4	83%	0.826	83%	0.83	S	S	*	*				165	152.5	110.2	0	0	0	0	0	114.6
41	S	28.2	Very low	38	Very low	119 Å²	119	138.8 Å²	138.8	83%	0.832	82%	0.816	S	S	*	*			trans	-52	150.8	-169.2	-48.7	0	0	0	0	120.1
42	P	36.2	Very low	39.5	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	81%	0.811	S	S	*	*			trans	-113.4	124.5	169.3	36.6	-25.2	0	0	0	114.6
43	L	33.3	Very low	41.3	Very low	176 Å²	176	139.5 Å²	139.5	92%	0.921	81%	0.809	S	S	*	*			trans	-146.7	99.7	164.2	-92.8	175.7	0	0	0	111.8
44	M	36.1	Very low	43.6	Very low	198 Å²	198	142.7 Å²	142.7	98%	0.975	81%	0.806	S	S	*	*			trans	-163.6	131.5	149.7	-105.9	169.7	89.2	0	0	109.1
45	G	34.4	Very low	44.6	Very low	82 Å²	82	142.6 Å²	142.6	85%	0.845	81%	0.805	S	S	*	*			trans	-93.3	137.7	-159.1	0	0	0	0	0	116.4	K47	G45-K47 PolarHBondContact O-N 3.11Å
46	K	40.3	Very low	45.7	Very low	213 Å²	213	141.4 Å²	141.4	93%	0.926	80%	0.804	S	S	*	*			trans	-86.5	99.8	173.8	-65.8	178.3	178.7	179.1	0	112.2
47	K	50.2	Low	47.8	Very low	208 Å²	208	139.6 Å²	139.6	90%	0.904	80%	0.795	S	S	*	*			trans	-150.4	79.4	161.7	-81.2	-161.9	179.1	-178.5	0	113.9	G45	G45-K47 PolarHBondContact O-N 3.11Å
48	K	46.4	Very low	49.4	Very low	202 Å²	202	140 Å²	140	88%	0.878	80%	0.8	S	S	*	*			trans	-139.5	137.9	145.4	-78.3	-167.3	177.4	-178.2	0	108
49	K	56.8	Low	50.7	Low	147 Å²	147	138.9 Å²	138.9	64%	0.639	81%	0.807	S	S	*	*			trans	-76.8	130.8	169.3	-67.4	-177.5	179.5	179.9	0	107.1	F51 L52	K49-F51 HydrophobicContact CB-CD1 4.08Å; K49-F51 HydrophobicContact CB-CE1 3.71Å; K49-F51 HydrophobicContact CB-CZ 4.15Å; K49-F51 HydrophobicContact CD-CE1 3.76Å; K49-F51 HydrophobicContact CD-CZ 3.73Å; K49-F51 HydrophobicContact CG-CE1 4.3Å; K49-F51 PolarHBondContact O-N 3.06Å; K49-L52 PolarHBondContact O-N 2.84Å; K49-L52 VanDerWaalsContact O-N 3.1Å
50	P	60.7	Low	52.9	Low	117 Å²	117	136.6 Å²	136.6	76%	0.76	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-13.6	-165.3	24.7	-34.6	0	0	0	115.3
51	F	66.8	Low	54.9	Low	133 Å²	133	136 Å²	136	58%	0.583	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-14.3	176.9	64.8	-96.5	0	0	0	114.1	K49 G53 M54	K49-F51 HydrophobicContact CB-CD1 4.08Å; K49-F51 HydrophobicContact CB-CE1 3.71Å; K49-F51 HydrophobicContact CB-CZ 4.15Å; K49-F51 HydrophobicContact CD-CE1 3.76Å; K49-F51 HydrophobicContact CD-CZ 3.73Å; K49-F51 HydrophobicContact CG-CE1 4.3Å; K49-F51 PolarHBondContact O-N 3.06Å; F51-G53 PolarHBondContact O-N 3.46Å; F51-G53 VanDerWaalsContact O-N 3.15Å; F51-M54 PolarHBondContact O-N 3.28Å
52	L	58.8	Low	56.7	Low	137 Å²	137	135.1 Å²	135.1	72%	0.717	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	97.8	-175.1	-142.5	81.7	0	0	0	109.8	K49	K49-L52 PolarHBondContact O-N 2.84Å; K49-L52 VanDerWaalsContact O-N 3.1Å
53	G	65.6	Low	58.2	Low	83 Å²	83	131 Å²	131	86%	0.856	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	116.5	4.5	-175.5	0	0	0	0	0	115	F51	F51-G53 PolarHBondContact O-N 3.46Å; F51-G53 VanDerWaalsContact O-N 3.15Å
54	M	71.3	Confident	59.5	Low	144 Å²	144	129.6 Å²	129.6	71%	0.709	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-90.8	142.9	164.8	-73.3	-176.6	160.8	0	0	110.3	F51	F51-M54 PolarHBondContact O-N 3.28Å
55	P	62.7	Low	60.9	Low	124 Å²	124	122.5 Å²	122.5	81%	0.805	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-66.5	153.1	167.7	30	-34.2	0	0	0	110.6
56	A	66	Low	62.5	Low	81 Å²	81	128.1 Å²	128.1	67%	0.669	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-63.7	146.1	-179.9	0	0	0	0	0	112	L58	A56-L58 PolarHBondContact O-N 3.3Å
57	P	69.6	Low	63.7	Low	99 Å²	99	121.2 Å²	121.2	64%	0.643	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-61.2	135.4	173.8	-21.1	33	0	0	0	111.7	G59 Y60	P57-G59 PolarHBondContact O-N 3.43Å; P57-Y60 PolarHBondContact O-N 3.12Å
58	L	62.9	Low	64.5	Low	185 Å²	185	113.8 Å²	113.8	97%	0.969	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	123.8	175.4	-74	162.5	0	0	0	110.1	A56	A56-L58 PolarHBondContact O-N 3.3Å
59	G	66.3	Low	65.2	Low	81 Å²	81	110.5 Å²	110.5	84%	0.835	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.9	-2.1	-179.1	0	0	0	0	0	116	P57 V61	P57-G59 PolarHBondContact O-N 3.43Å; G59-V61 PolarHBondContact O-N 2.86Å
60	Y	72.9	Confident	65.8	Low	118 Å²	118	106.8 Å²	106.8	46%	0.463	68%	0.677	S	S	.	*			trans	-81.4	114.9	174.7	178.2	-98.8	0	0	0	112.1	P57 P62	P57-Y60 PolarHBondContact O-N 3.12Å; Y60-P62 HydrophobicContact CE1-CB 4.01Å
61	V	68.3	Low	65.4	Low	88 Å²	88	110.5 Å²	110.5	53%	0.533	68%	0.682	S	S	.	*			trans	-94.4	117	169.7	-178.7	0	0	0	0	109.2	G59 L64 G65	G59-V61 PolarHBondContact O-N 2.86Å; V61-L64 HydrophobicContact CG1-CB 4.36Å; V61-G65 WeakPolarHBondContact O-CA 3.48Å; V61-G65 PolarHBondContact O-N 3.15Å
62	P	66.1	Low	64.8	Low	100 Å²	100	109.8 Å²	109.8	65%	0.649	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	149.2	176.7	27.1	-33.2	0	0	0	111.5	Y60 L64	Y60-P62 HydrophobicContact CE1-CB 4.01Å; P62-L64 PolarHBondContact O-N 3.43Å; P62-L64 VanDerWaalsContact O-N 3.17Å
63	G	66.1	Low	64.4	Low	34 Å²	34	107.5 Å²	107.5	35%	0.351	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.6	-72.2	-172.3	0	0	0	0	0	111.6	R66 G67 A68	G63-R66 WeakPolarHBondContact O-CB 3.5Å; G63-R66 PolarHBondContact O-N 3.43Å; G63-R66 VanDerWaalsContact O-N 3.16Å; G63-G67 PolarHBondContact O-N 2.93Å; G63-A68 PolarHBondContact O-N 3.3Å
64	L	61.7	Low	63.5	Low	148 Å²	148	115.4 Å²	115.4	78%	0.775	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-63.9	-48	179.9	-159.4	80.6	0	0	0	111.9	V61 P62 R66 G67	V61-L64 HydrophobicContact CG1-CB 4.36Å; P62-L64 PolarHBondContact O-N 3.43Å; P62-L64 VanDerWaalsContact O-N 3.17Å; L64-R66 PolarHBondContact O-N 2.95Å; L64-R66 VanDerWaalsContact O-N 3.13Å; L64-G67 PolarHBondContact O-N 3.17Å
65	G	64.6	Low	62.8	Low	49 Å²	49	113.2 Å²	113.2	51%	0.505	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-69.3	-5.2	176	0	0	0	0	0	114.8	V61	V61-G65 WeakPolarHBondContact O-CA 3.48Å; V61-G65 PolarHBondContact O-N 3.15Å
66	R	68.2	Low	62.3	Low	200 Å²	200	111.9 Å²	111.9	76%	0.755	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-92.5	-9.9	169.4	177.1	178.3	165.1	-158.7	-7.2	112	G63 L64 A68	G63-R66 WeakPolarHBondContact O-CB 3.5Å; G63-R66 PolarHBondContact O-N 3.43Å; G63-R66 VanDerWaalsContact O-N 3.16Å; L64-R66 PolarHBondContact O-N 2.95Å; L64-R66 VanDerWaalsContact O-N 3.13Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 HydrophobicContact CG-CB 4.3Å
67	G	65.3	Low	61.5	Low	68 Å²	68	115.5 Å²	115.5	70%	0.701	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.2	26.3	-172	0	0	0	0	0	113.2	G63 L64	G63-G67 PolarHBondContact O-N 2.93Å; L64-G67 PolarHBondContact O-N 3.17Å
68	A	68.1	Low	60	Low	52 Å²	52	114 Å²	114	43%	0.43	68%	0.679	S	S	.	*			trans	-96.4	110.3	-178.7	0	0	0	0	0	110.7	G63 R66	G63-A68 PolarHBondContact O-N 3.3Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 HydrophobicContact CG-CB 4.3Å
69	T	61.6	Low	59.2	Low	133 Å²	133	111.7 Å²	111.7	82%	0.816	67%	0.674	S	S	*	*			trans	-97.9	139.2	169.2	52.1	0	0	0	0	110.3
70	G	68.8	Low	57.9	Low	68 Å²	68	112.7 Å²	112.7	70%	0.701	68%	0.675	S	S	*	*			trans	-63.3	151.5	169.7	0	0	0	0	0	111.7	T72	G70-T72 PolarHBondContact O-N 3.43Å
71	F	52.6	Low	56.1	Low	195 Å²	195	118.9 Å²	118.9	86%	0.855	70%	0.698	S	S	*	*			trans	-84.1	110.5	176.7	46.1	-89.4	0	0	0	109.9
72	T	54.3	Low	54.5	Low	119 Å²	119	122.4 Å²	122.4	73%	0.73	71%	0.713	S	S	*	*			trans	-82.2	148.9	172	48.7	0	0	0	0	110.7	G70	G70-T72 PolarHBondContact O-N 3.43Å
73	T	49.3	Very low	53.4	Low	89 Å²	89	121.6 Å²	121.6	55%	0.546	72%	0.715	S	S	.	*			trans	-128.8	176.4	177.9	68.8	0	0	0	0	111.5	S75 D76	T73-S75 PolarHBondContact O-N 2.82Å; T73-D76 PolarHBondContact N-OD2 2.93Å; T73-D76 VanDerWaalsContact N-OD2 3.09Å; T73-D76 PolarHBondContact O-N 3.41Å
74	R	46.9	Very low	52	Low	249 Å²	249	127.3 Å²	127.3	94%	0.94	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	0.7	-159.9	-157.2	173.7	176.9	-179.4	-1.2	115.2
75	S	56.5	Low	50.6	Low	97 Å²	97	127.8 Å²	127.8	68%	0.678	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-22.3	169	41.3	0	0	0	0	113.7	T73 I77	T73-S75 PolarHBondContact O-N 2.82Å; S75-I77 PolarHBondContact O-N 3.38Å
76	D	52.8	Low	49.3	Very low	96 Å²	96	130.9 Å²	130.9	51%	0.513	75%	0.752	S	S	.	*	S	Bend	trans	-95	11.6	-160.6	-47	-25.1	0	0	0	114.1	T73	T73-D76 PolarHBondContact N-OD2 2.93Å; T73-D76 VanDerWaalsContact N-OD2 3.09Å; T73-D76 PolarHBondContact O-N 3.41Å
77	I	49.8	Very low	48.3	Very low	158 Å²	158	127.9 Å²	127.9	81%	0.81	76%	0.756	S	S	*	*			trans	-124.1	105.4	-173.3	-57	178.7	0	0	0	112.6	S75	S75-I77 PolarHBondContact O-N 3.38Å
78	G	36.5	Very low	46.6	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	76%	0.755	S	S	*	*			trans	160	155.1	152.3	0	0	0	0	0	114.4
79	P	46	Very low	45.1	Very low	135 Å²	135	133.8 Å²	133.8	88%	0.877	76%	0.764	S	S	*	*			cis	-99.1	159.7	-28.5	36.5	-26.9	0	0	0	112
80	A	39.6	Very low	43.8	Very low	102 Å²	102	137.6 Å²	137.6	84%	0.843	76%	0.763	S	S	*	*			trans	-68.1	149.3	-167.7	0	0	0	0	0	116.1
81	R	35.8	Very low	42	Very low	249 Å²	249	142.6 Å²	142.6	94%	0.94	77%	0.768	S	S	*	*			trans	-134.3	161	147.9	-95.1	-175.7	67.7	147.2	-1.9	110.4
82	D	33.8	Very low	40.9	Very low	161 Å²	161	137.8 Å²	137.8	86%	0.861	77%	0.765	S	S	*	*			trans	-95.6	163.2	-133.8	-136.2	-32.1	0	0	0	116.4	N84	D82-N84 PolarHBondContact O-N 3.24Å
83	A	44.2	Very low	40.4	Very low	84 Å²	84	137.7 Å²	137.7	69%	0.694	77%	0.766	S	S	*	*	S	Bend	trans	-91	80.4	-179.1	0	0	0	0	0	112
84	N	35.3	Very low	39.7	Very low	154 Å²	154	139.9 Å²	139.9	82%	0.824	78%	0.782	S	S	*	*			trans	-175.7	105.2	157.2	-93.9	-26.5	0	0	0	111.2	D82	D82-N84 PolarHBondContact O-N 3.24Å
85	D	32.4	Very low	38.9	Very low	158 Å²	158	131.4 Å²	131.4	85%	0.845	77%	0.772	S	S	*	*				179.5	160.9	121.2	-104.4	-14.7	0	0	0	110.9
86	P	38.2	Very low	38.1	Very low	113 Å²	113	136.5 Å²	136.5	73%	0.734	78%	0.782	S	S	*	*			trans	-108.8	171.6	-141.9	7.2	16.2	0	0	0	115.7
87	V	45.8	Very low	37	Very low	138 Å²	138	142.7 Å²	142.7	84%	0.836	80%	0.798	S	S	*	*			trans	-58.1	149.8	169.1	-69.9	0	0	0	0	113.4
88	D	30.6	Very low	36.2	Very low	127 Å²	127	140.8 Å²	140.8	68%	0.679	79%	0.794	S	S	*	*			trans	-129	121.4	150.9	-163.1	11.5	0	0	0	110.3	R90	D88-R90 VanDerWaalsContact CG-NH2 3.26Å; D88-R90 IonicContact OD1-CZ 3.71Å; D88-R90 IonicContact OD1-NE 2.83Å; D88-R90 IonicContact OD1-NH2 2.67Å; D88-R90 PolarHBondContact OD1-NH2 2.82Å; D88-R90 IonicContact OD2-CZ 3.62Å; D88-R90 IonicContact OD2-NH2 3.69Å; D88-R90 PolarHBondContact OD2-NH2 3.42Å
89	D	36	Very low	36.3	Very low	117 Å²	117	143.5 Å²	143.5	63%	0.626	80%	0.797	S	S	*	*			trans	-63.8	147	166.4	-82.3	-62	0	0	0	110.2
90	R	35.6	Very low	36	Very low	212 Å²	212	140.2 Å²	140.2	80%	0.8	79%	0.788	S	S	*	*				-172.1	132.3	120.3	-102.3	151.5	-89.2	-163.9	-2.5	113.5	D88	D88-R90 VanDerWaalsContact CG-NH2 3.26Å; D88-R90 IonicContact OD1-CZ 3.71Å; D88-R90 IonicContact OD1-NE 2.83Å; D88-R90 IonicContact OD1-NH2 2.67Å; D88-R90 PolarHBondContact OD1-NH2 2.82Å; D88-R90 IonicContact OD2-CZ 3.62Å; D88-R90 IonicContact OD2-NH2 3.69Å; D88-R90 PolarHBondContact OD2-NH2 3.42Å
91	H	30.6	Very low	35.9	Very low	173 Å²	173	141.5 Å²	141.5	80%	0.801	78%	0.781	S	S	*	*			trans	-75.9	160.1	-175.6	-54.1	-48.8	0	0	0	114.8
92	A	28.7	Very low	35.8	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	77%	0.772	S	S	*	*				-156.1	138.9	121	0	0	0	0	0	112.2
93	P	43.7	Very low	35.9	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	78%	0.776	S	S	*	*			trans	-86.3	151.4	167.5	36.7	-33.9	0	0	0	110.6
94	P	35.1	Very low	35.5	Very low	136 Å²	136	143.9 Å²	143.9	88%	0.883	78%	0.782	S	S	*	*				-147.6	-167.6	79.5	38	-17.2	0	0	0	111.6
95	G	31	Very low	35.4	Very low	71 Å²	71	144.1 Å²	144.1	73%	0.732	78%	0.776	S	S	*	*			cis	-174.9	166.3	-0.4	0	0	0	0	0	109.8
96	K	37.8	Very low	35.9	Very low	204 Å²	204	143.5 Å²	143.5	89%	0.887	77%	0.773	S	S	*	*			trans	-76.1	136.4	-177.1	-66.8	175.8	177.2	175.9	0	112.7
97	R	30.3	Very low	36	Very low	225 Å²	225	143.6 Å²	143.6	85%	0.849	76%	0.763	S	S	*	*				-176.7	140.1	128.5	-100	151.8	-168.1	-163.7	3.2	115.3
98	T	32.3	Very low	35.7	Very low	118 Å²	118	143.4 Å²	143.4	72%	0.724	76%	0.757	S	S	*	*			trans	59.4	134.3	150.6	48.8	0	0	0	0	122.3	G100	T98-G100 PolarHBondContact O-N 3.29Å
99	V	40.3	Very low	36.1	Very low	125 Å²	125	144.4 Å²	144.4	76%	0.758	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-74.9	14	-175.4	-177.1	0	0	0	0	113.8	D101	V99-D101 VanDerWaalsContact C-N 3.31Å; V99-D101 PolarHBondContact O-N 2.69Å
100	G	39.5	Very low	37	Very low	67 Å²	67	146 Å²	146	69%	0.691	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-71.4	-22.3	177.4	0	0	0	0	0	114.4	T98	T98-G100 PolarHBondContact O-N 3.29Å
101	D	37.2	Very low	37.8	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-97.1	-1.5	-169.2	-83.3	-34.4	0	0	0	115.7	V99 M103 K104	V99-D101 VanDerWaalsContact C-N 3.31Å; V99-D101 PolarHBondContact O-N 2.69Å; D101-M103 PolarHBondContact O-N 2.94Å; D101-M103 VanDerWaalsContact O-N 3.09Å; D101-K104 PolarHBondContact O-N 2.87Å
102	Q	34.5	Very low	39.2	Very low	163 Å²	163	142.3 Å²	142.3	76%	0.762	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-68.2	-10.4	-177.2	-87.9	-171.9	-22.3	0	0	114.7	K104	Q102-K104 VanDerWaalsContact C-N 3.25Å; Q102-K104 PolarHBondContact O-N 3.26Å
103	M	34.8	Very low	41	Very low	190 Å²	190	142.7 Å²	142.7	94%	0.936	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-79.8	-1.9	176.5	-146.7	86.1	-179	0	0	113.6	D101	D101-M103 PolarHBondContact O-N 2.94Å; D101-M103 VanDerWaalsContact O-N 3.09Å
104	K	36.5	Very low	42.6	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-132.9	31.5	-169.3	-141	178.6	-173.6	-176	0	114.7	D101 Q102	D101-K104 PolarHBondContact O-N 2.87Å; Q102-K104 VanDerWaalsContact C-N 3.25Å; Q102-K104 PolarHBondContact O-N 3.26Å
105	K	32.6	Very low	44.5	Very low	159 Å²	159	139.5 Å²	139.5	69%	0.691	73%	0.726	S	S	*	*			trans	-143.7	40.2	168.4	-142.8	-171.8	-175.1	-159.6	0	114.5
106	N	43.4	Very low	46.6	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	73%	0.725	S	S	*	*	S	Bend	trans	-81.3	157.5	140.4	-65.5	-0.6	0	0	0	106.5
107	Q	40.3	Very low	48.5	Very low	115 Å²	115	138.7 Å²	138.7	54%	0.537	72%	0.72	S	S	.	*	S	Bend	trans	70	56.2	-179.7	-55.5	165.5	-16.3	0	0	114.8
108	D	38.3	Very low	50.9	Low	134 Å²	134	130.1 Å²	130.1	72%	0.717	69%	0.691	S	S	*	*	S	Bend	trans	-147.4	11.1	145.8	-110.7	-13.3	0	0	0	111.2
109	D	40.6	Very low	53.3	Low	147 Å²	147	130 Å²	130	79%	0.786	68%	0.677	S	S	*	*	S	Bend	trans	-145.2	107.9	169.4	-79.5	-56	0	0	0	105	D111	D109-D111 PolarHBondContact O-N 3.41Å
110	D	53	Low	55.3	Low	150 Å²	150	127.3 Å²	127.3	80%	0.802	66%	0.659	S	S	*	*			trans	-86	89.5	-173.2	-69.8	-46.1	0	0	0	111.9
111	D	52.7	Low	57.4	Low	162 Å²	162	132.8 Å²	132.8	87%	0.866	67%	0.667	S	S	*	*			trans	-103.8	98.8	165.1	-82.1	-33.4	0	0	0	109.5	D109 D113	D109-D111 PolarHBondContact O-N 3.41Å; D111-D113 PolarHBondContact O-N 3.13Å
112	E	60.4	Low	59.7	Low	146 Å²	146	135.4 Å²	135.4	68%	0.682	67%	0.672	S	S	*	*			trans	-65.8	127.6	176.3	-63.5	-179.8	158.4	0	0	111.3	L114	E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 HydrophobicContact CB-CD2 4.47Å; E112-L114 HydrophobicContact CB-CG 4.12Å; E112-L114 PolarHBondContact O-N 2.89Å
113	D	67.5	Low	62	Low	103 Å²	103	133.8 Å²	133.8	55%	0.551	67%	0.669	S	S	*	*			trans	-78	78.8	178.2	-168.4	2.4	0	0	0	111.6	D111 N115 N118	D111-D113 PolarHBondContact O-N 3.13Å; D113-N115 PolarHBondContact O-N 3.44Å; D113-N115 WeakPolarHBondContact OD1-CB 3.39Å; D113-N115 PolarHBondContact OD1-N 2.85Å; D113-N118 PolarHBondContact O-ND2 3.48Å; D113-N118 VanDerWaalsContact O-ND2 3.17Å
114	L	76.4	Confident	64.4	Low	100 Å²	100	125.7 Å²	125.7	52%	0.524	63%	0.634	S	S	.	*			trans	-78.9	23.1	178.7	-63	170.5	0	0	0	113.5	E112 Y125	E112-L114 VanDerWaalsContact C-N 3.29Å; E112-L114 HydrophobicContact CB-CD2 4.47Å; E112-L114 HydrophobicContact CB-CG 4.12Å; E112-L114 PolarHBondContact O-N 2.89Å; L114-Y125 VanDerWaalsContact C-CE1 3.47Å; L114-Y125 VanDerWaalsContact CA-CE1 3.49Å; L114-Y125 HydrophobicContact CB-CE1 4.36Å; L114-Y125 HydrophobicContact CD2-CD2 4Å; L114-Y125 HydrophobicContact CD2-CE1 4.33Å; L114-Y125 HydrophobicContact CD2-CE2 3.62Å; L114-Y125 PolarHBondContact O-OH 3.37Å
115	N	75.5	Confident	66.5	Low	85 Å²	85	121.3 Å²	121.3	46%	0.455	61%	0.613	S	S	.	*			trans	-76.7	137.9	179.4	-175.5	9.8	0	0	0	111.3	D113 T117 N118 Y119	D113-N115 PolarHBondContact O-N 3.44Å; D113-N115 WeakPolarHBondContact OD1-CB 3.39Å; D113-N115 PolarHBondContact OD1-N 2.85Å; N115-T117 PolarHBondContact ND2-OG1 3.12Å; N115-T117 PolarHBondContact O-N 3.23Å; N115-N118 WeakPolarHBondContact O-CA 3.47Å; N115-N118 WeakPolarHBondContact O-CB 3.38Å; N115-N118 PolarHBondContact O-N 2.86Å; N115-Y119 PolarHBondContact O-N 3.29Å
116	D	74.1	Confident	68.5	Low	133 Å²	133	116.9 Å²	116.9	71%	0.711	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-27.5	-176.9	-65	-11.7	0	0	0	113.7	N118 Y119	D116-N118 PolarHBondContact O-N 2.97Å; D116-Y119 PolarHBondContact O-N 3.01Å
117	T	79.3	Confident	70	Confident	126 Å²	126	113 Å²	113	77%	0.773	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-17.9	175.6	54.7	0	0	0	0	114.1	N115	N115-T117 PolarHBondContact ND2-OG1 3.12Å; N115-T117 PolarHBondContact O-N 3.23Å
118	N	79.9	Confident	71.7	Confident	45 Å²	45	111.7 Å²	111.7	24%	0.241	60%	0.603	C	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-10.9	174.4	-160.9	46.6	0	0	0	111.6	D113 N115 D116 Y125 A126	D113-N118 PolarHBondContact O-ND2 3.48Å; D113-N118 VanDerWaalsContact O-ND2 3.17Å; N115-N118 WeakPolarHBondContact O-CA 3.47Å; N115-N118 WeakPolarHBondContact O-CB 3.38Å; N115-N118 PolarHBondContact O-N 2.86Å; D116-N118 PolarHBondContact O-N 2.97Å; N118-Y125 HydrophobicContact CB-CD1 4.47Å; N118-Y125 CarbonylContact O-C 3.58Å; N118-Y125 WeakPolarHBondContact O-CA 3.2Å; N118-A126 PolarHBondContact ND2-O 3.43Å; N118-A126 PolarHBondContact O-N 3.46Å; N118-A126 PolarHBondContact OD1-O 2.91Å
119	Y	82.4	Confident	73.4	Confident	114 Å²	114	111.9 Å²	111.9	45%	0.447	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.8	130	174	-169	-106.3	0	0	0	111.2	N115 D116 Y125	N115-Y119 PolarHBondContact O-N 3.29Å; D116-Y119 PolarHBondContact O-N 3.01Å; Y119-Y125 AromaticContact CD2-CD1 3.94Å; Y119-Y125 HydrophobicContact CD2-CD1 3.94Å; Y119-Y125 AromaticContact CD2-CD2 3.69Å; Y119-Y125 HydrophobicContact CD2-CD2 3.69Å; Y119-Y125 AromaticContact CD2-CE1 3.85Å; Y119-Y125 HydrophobicContact CD2-CE1 3.85Å; Y119-Y125 AromaticContact CD2-CE2 3.6Å; Y119-Y125 HydrophobicContact CD2-CE2 3.6Å; Y119-Y125 AromaticContact CD2-CG 3.85Å; Y119-Y125 HydrophobicContact CD2-CG 3.85Å; Y119-Y125 AromaticContact CD2-CZ 3.67Å; Y119-Y125 HydrophobicContact CE2-CD2 4.2Å; Y119-Y125 HydrophobicContact CE2-CE2 4.08Å; Y119-Y125 HydrophobicContact CG-CD1 4.42Å; Y119-Y125 HydrophobicContact CG-CE1 4.15Å
120	D	83.4	Confident	74.8	Confident	69 Å²	69	113.6 Å²	113.6	37%	0.369	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	138.2	164.8	174.6	47.4	0	0	0	110.1	F122 N123 G124	D120-F122 PolarHBondContact O-N 3.48Å; D120-F122 PolarHBondContact OD2-N 3.33Å; D120-N123 HydrophobicContact CB-CB 4.43Å; D120-N123 WeakPolarHBondContact OD2-CB 3.38Å; D120-N123 PolarHBondContact OD2-N 2.84Å; D120-N123 PolarHBondContact OD2-ND2 3.31Å; D120-G124 PolarHBondContact N-O 2.74Å; D120-G124 VanDerWaalsContact O-CA 3.27Å; D120-G124 WeakPolarHBondContact O-CA 3.38Å; D120-G124 PolarHBondContact O-N 3.05Å
121	E	83.6	Confident	75.6	Confident	183 Å²	183	110.6 Å²	110.6	86%	0.855	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-26.2	-174.7	-62.3	177.2	156.2	0	0	112.7
122	F	85.6	Confident	76.1	Confident	184 Å²	184	106.6 Å²	106.6	81%	0.807	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-44.4	-179.6	-170.5	-94	0	0	0	112.9	D120	D120-F122 PolarHBondContact O-N 3.48Å; D120-F122 PolarHBondContact OD2-N 3.33Å
123	N	81.2	Confident	76.7	Confident	129 Å²	129	101.8 Å²	101.8	69%	0.69	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-8	-175	-61.3	-74	0	0	0	114.3	D120	D120-N123 HydrophobicContact CB-CB 4.43Å; D120-N123 WeakPolarHBondContact OD2-CB 3.38Å; D120-N123 PolarHBondContact OD2-N 2.84Å; D120-N123 PolarHBondContact OD2-ND2 3.31Å
124	G	84.8	Confident	76.9	Confident	19 Å²	19	102.2 Å²	102.2	20%	0.196	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	78.6	-155.7	-173	0	0	0	0	0	112.4	D120 A126	D120-G124 PolarHBondContact N-O 2.74Å; D120-G124 VanDerWaalsContact O-CA 3.27Å; D120-G124 WeakPolarHBondContact O-CA 3.38Å; D120-G124 PolarHBondContact O-N 3.05Å; G124-A126 PolarHBondContact O-N 2.86Å
125	Y	81.4	Confident	76.8	Confident	99 Å²	99	103.9 Å²	103.9	39%	0.388	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.7	129.9	175.8	-73.7	-75.8	0	0	0	111.5	L114 N118 Y119 G127	L114-Y125 VanDerWaalsContact C-CE1 3.47Å; L114-Y125 VanDerWaalsContact CA-CE1 3.49Å; L114-Y125 HydrophobicContact CB-CE1 4.36Å; L114-Y125 HydrophobicContact CD2-CD2 4Å; L114-Y125 HydrophobicContact CD2-CE1 4.33Å; L114-Y125 HydrophobicContact CD2-CE2 3.62Å; L114-Y125 PolarHBondContact O-OH 3.37Å; N118-Y125 HydrophobicContact CB-CD1 4.47Å; N118-Y125 CarbonylContact O-C 3.58Å; N118-Y125 WeakPolarHBondContact O-CA 3.2Å; Y119-Y125 AromaticContact CD2-CD1 3.94Å; Y119-Y125 HydrophobicContact CD2-CD1 3.94Å; Y119-Y125 AromaticContact CD2-CD2 3.69Å; Y119-Y125 HydrophobicContact CD2-CD2 3.69Å; Y119-Y125 AromaticContact CD2-CE1 3.85Å; Y119-Y125 HydrophobicContact CD2-CE1 3.85Å; Y119-Y125 AromaticContact CD2-CE2 3.6Å; Y119-Y125 HydrophobicContact CD2-CE2 3.6Å; Y119-Y125 AromaticContact CD2-CG 3.85Å; Y119-Y125 HydrophobicContact CD2-CG 3.85Å; Y119-Y125 AromaticContact CD2-CZ 3.67Å; Y119-Y125 HydrophobicContact CE2-CD2 4.2Å; Y119-Y125 HydrophobicContact CE2-CE2 4.08Å; Y119-Y125 HydrophobicContact CG-CD1 4.42Å; Y119-Y125 HydrophobicContact CG-CE1 4.15Å; Y125-G127 PolarHBondContact O-N 2.68Å
126	A	73.8	Confident	77.2	Confident	65 Å²	65	105.6 Å²	105.6	54%	0.537	58%	0.584	S	S	.	*	S	Bend	trans	-73.9	112.9	178.2	0	0	0	0	0	110.6	N118 G124	N118-A126 PolarHBondContact ND2-O 3.43Å; N118-A126 PolarHBondContact O-N 3.46Å; N118-A126 PolarHBondContact OD1-O 2.91Å; G124-A126 PolarHBondContact O-N 2.86Å
127	G	76.9	Confident	77.5	Confident	64 Å²	64	106.2 Å²	106.2	66%	0.66	58%	0.58	S	S	*	*	S	Bend	trans	162.8	139.5	179.4	0	0	0	0	0	110.1	Y125 L129	Y125-G127 PolarHBondContact O-N 2.68Å; G127-L129 PolarHBondContact O-N 3.18Å
128	S	75.9	Confident	77.8	Confident	88 Å²	88	105.2 Å²	105.2	62%	0.615	57%	0.57	S	S	*	*			trans	-83.6	114.2	176.4	-179.8	0	0	0	0	110.4	F130	S128-F130 PolarHBondContact O-N 3.21Å
129	L	73	Confident	78	Confident	139 Å²	139	106.3 Å²	106.3	73%	0.728	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-23.5	175.7	-66.1	171.1	0	0	0	113.3	G127	G127-L129 PolarHBondContact O-N 3.18Å
130	F	70.3	Confident	78.1	Confident	182 Å²	182	106.6 Å²	106.6	80%	0.798	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	5.8	-170.4	-59.5	-75.3	0	0	0	113.8	S128 S132	S128-F130 PolarHBondContact O-N 3.21Å; F130-S132 VanDerWaalsContact C-N 3.33Å; F130-S132 PolarHBondContact O-N 3.34Å
131	S	68.7	Low	78.3	Confident	88 Å²	88	108.6 Å²	108.6	62%	0.615	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-3.1	-174.1	-171.1	0	0	0	0	115.5
132	S	64.4	Low	78.4	Confident	77 Å²	77	101.6 Å²	101.6	54%	0.538	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.8	-7.9	-173.4	54.4	0	0	0	0	115.1	F130	F130-S132 VanDerWaalsContact C-N 3.33Å; F130-S132 PolarHBondContact O-N 3.34Å
133	G	71.8	Confident	78.5	Confident	45 Å²	45	97 Å²	97	46%	0.464	55%	0.545	S	S	.	.	S	Bend	trans	-69.6	164.3	172.6	0	0	0	0	0	112.2	Y135	G133-Y135 PolarHBondContact O-N 2.98Å
134	P	71.5	Confident	78.8	Confident	112 Å²	112	93.7 Å²	93.7	73%	0.727	54%	0.537	S	S	*	.			trans	-64	103.3	167.5	28.4	-32.3	0	0	0	108.7	E136	P134-E136 PolarHBondContact O-N 2.92Å
135	Y	75.9	Confident	79.1	Confident	135 Å²	135	97.8 Å²	97.8	53%	0.529	55%	0.553	S	S	.	*			trans	-80.8	103.8	174.8	-171.1	-99	0	0	0	107.9	G133 D139 E140 D143	G133-Y135 PolarHBondContact O-N 2.98Å; Y135-D139 HydrophobicContact CD2-CB 3.86Å; Y135-D139 HydrophobicContact CE2-CB 3.87Å; Y135-D139 HydrophobicContact CG-CB 4.26Å; Y135-E140 HydrophobicContact CE1-CB 3.72Å; Y135-E140 HydrophobicContact CE1-CG 4.19Å; Y135-D143 WeakPolarHBondContact OH-CB 3.43Å; Y135-D143 PolarHBondContact OH-OD2 3.46Å
136	E	82.3	Confident	79.5	Confident	121 Å²	121	100.1 Å²	100.1	57%	0.565	56%	0.562	S	S	*	*			trans	-88.6	175	-174.4	-66	-163.4	-160.9	0	0	111.5	P134 D138 D139 E140	P134-E136 PolarHBondContact O-N 2.92Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 WeakPolarHBondContact CB-OD1 3.46Å; E136-D138 PolarHBondContact O-N 3.08Å; E136-D139 PolarHBondContact N-OD2 3.12Å; E136-D139 WeakPolarHBondContact O-CB 3.4Å; E136-D139 PolarHBondContact O-N 2.83Å; E136-E140 PolarHBondContact O-N 2.7Å; E136-E140 VanDerWaalsContact O-N 3.1Å
137	K	82.1	Confident	80.3	Confident	146 Å²	146	100 Å²	100	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-72.5	-30.4	-170.3	-173.6	173.8	176.3	-174.8	0	112.5	E140 E141	K137-E140 PolarHBondContact O-N 3.31Å; K137-E141 WeakPolarHBondContact CE-OE1 3.12Å; K137-E141 WeakPolarHBondContact O-CG 3.47Å; K137-E141 PolarHBondContact O-N 2.6Å
138	D	83.9	Confident	80.9	Confident	105 Å²	105	99.6 Å²	99.6	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-70.8	-29.8	170.8	51.1	-27.7	0	0	0	112.5	E136 A142	E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 WeakPolarHBondContact CB-OD1 3.46Å; E136-D138 PolarHBondContact O-N 3.08Å; D138-A142 WeakPolarHBondContact O-CB 3.47Å; D138-A142 PolarHBondContact O-N 3.03Å
139	D	86.2	Confident	81.5	Confident	69 Å²	69	99.7 Å²	99.7	37%	0.369	55%	0.545	S	S	.	.	H	α-helix	trans	-64.7	-45.2	167.3	-60.6	-49.8	0	0	0	111	Y135 E136 E141 A142 D143	Y135-D139 HydrophobicContact CD2-CB 3.86Å; Y135-D139 HydrophobicContact CE2-CB 3.87Å; Y135-D139 HydrophobicContact CG-CB 4.26Å; E136-D139 PolarHBondContact N-OD2 3.12Å; E136-D139 WeakPolarHBondContact O-CB 3.4Å; E136-D139 PolarHBondContact O-N 2.83Å; D139-E141 VanDerWaalsContact C-N 3.35Å; D139-E141 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 3.14Å; D139-D143 WeakPolarHBondContact O-CB 3.41Å; D139-D143 PolarHBondContact O-N 2.86Å
140	E	83	Confident	82.3	Confident	120 Å²	120	98.3 Å²	98.3	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-61	-41.9	175.7	-167.4	-177.4	-178.5	0	0	112.2	Y135 E136 K137 A144	Y135-E140 HydrophobicContact CE1-CB 3.72Å; Y135-E140 HydrophobicContact CE1-CG 4.19Å; E136-E140 PolarHBondContact O-N 2.7Å; E136-E140 VanDerWaalsContact O-N 3.1Å; K137-E140 PolarHBondContact O-N 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.84Å
141	E	87.3	Confident	83.1	Confident	110 Å²	110	95.4 Å²	95.4	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-68.8	-36.8	175.7	-72.5	179.1	-163.4	0	0	111.9	K137 D139 I145	K137-E141 WeakPolarHBondContact CE-OE1 3.12Å; K137-E141 WeakPolarHBondContact O-CG 3.47Å; K137-E141 PolarHBondContact O-N 2.6Å; D139-E141 VanDerWaalsContact C-N 3.35Å; D139-E141 PolarHBondContact O-N 3.35Å; E141-I145 WeakPolarHBondContact O-CD1 3.46Å; E141-I145 VanDerWaalsContact O-CG1 3.23Å; E141-I145 WeakPolarHBondContact O-CG1 3.3Å; E141-I145 PolarHBondContact O-N 2.6Å
142	A	86.3	Confident	84	Confident	36 Å²	36	99.8 Å²	99.8	30%	0.298	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-48.9	175.2	0	0	0	0	0	112.1	D138 D139 A144 I145 Y146	D138-A142 WeakPolarHBondContact O-CB 3.47Å; D138-A142 PolarHBondContact O-N 3.03Å; D139-A142 PolarHBondContact O-N 3.14Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 3.17Å; A142-I145 CarbonylContact O-C 3.51Å; A142-I145 WeakPolarHBondContact O-CA 3.4Å; A142-I145 WeakPolarHBondContact O-CB 3.46Å; A142-I145 PolarHBondContact O-N 2.73Å; A142-Y146 HydrophobicContact CB-CD2 4.48Å; A142-Y146 HydrophobicContact CB-CE2 4.43Å; A142-Y146 WeakPolarHBondContact O-CD2 3.29Å; A142-Y146 PolarHBondContact O-N 3.12Å
143	D	87.4	Confident	84.9	Confident	87 Å²	87	100.8 Å²	100.8	47%	0.465	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-34.5	176.7	-89.3	-1	0	0	0	111.6	Y135 D139 I145 Y146 A147	Y135-D143 WeakPolarHBondContact OH-CB 3.43Å; Y135-D143 PolarHBondContact OH-OD2 3.46Å; D139-D143 WeakPolarHBondContact O-CB 3.41Å; D139-D143 PolarHBondContact O-N 2.86Å; D143-I145 VanDerWaalsContact C-N 3.31Å; D143-I145 PolarHBondContact O-N 3.18Å; D143-Y146 PolarHBondContact O-N 3.43Å; D143-A147 WeakPolarHBondContact O-CB 3.38Å; D143-A147 PolarHBondContact O-N 3.19Å
144	A	88.6	Confident	85.5	Confident	61 Å²	61	102 Å²	102	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-37.9	170.3	0	0	0	0	0	112.2	E140 A142 A148	E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.84Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-A144 PolarHBondContact O-N 3.17Å; A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.15Å
145	I	90.3	Very high	86.2	Confident	105 Å²	105	101.9 Å²	101.9	54%	0.538	51%	0.511	S	S	.	.	H	α-helix	trans	-69.5	-46.3	174.5	-70.7	163.3	0	0	0	111.1	E141 A142 D143 A148 L149	E141-I145 WeakPolarHBondContact O-CD1 3.46Å; E141-I145 VanDerWaalsContact O-CG1 3.23Å; E141-I145 WeakPolarHBondContact O-CG1 3.3Å; E141-I145 PolarHBondContact O-N 2.6Å; A142-I145 CarbonylContact O-C 3.51Å; A142-I145 WeakPolarHBondContact O-CA 3.4Å; A142-I145 WeakPolarHBondContact O-CB 3.46Å; A142-I145 PolarHBondContact O-N 2.73Å; D143-I145 VanDerWaalsContact C-N 3.31Å; D143-I145 PolarHBondContact O-N 3.18Å; I145-A148 PolarHBondContact O-N 2.95Å; I145-L149 HydrophobicContact CG2-CD1 4.37Å; I145-L149 PolarHBondContact O-N 3.09Å
146	Y	89.9	Confident	86.4	Confident	148 Å²	148	104.3 Å²	104.3	58%	0.58	52%	0.519	S	S	*	.	H	α-helix	trans	-66	-44.8	179	-75.3	-62.4	0	0	0	111.8	A142 D143 A148 L149 D150	A142-Y146 HydrophobicContact CB-CD2 4.48Å; A142-Y146 HydrophobicContact CB-CE2 4.43Å; A142-Y146 WeakPolarHBondContact O-CD2 3.29Å; A142-Y146 PolarHBondContact O-N 3.12Å; D143-Y146 PolarHBondContact O-N 3.43Å; Y146-A148 VanDerWaalsContact C-N 3.31Å; Y146-A148 PolarHBondContact O-N 3.39Å; Y146-L149 CarbonylContact O-C 3.55Å; Y146-L149 WeakPolarHBondContact O-CA 3.07Å; Y146-L149 VanDerWaalsContact O-CB 3.27Å; Y146-L149 WeakPolarHBondContact O-CB 3.44Å; Y146-L149 PolarHBondContact O-N 3.32Å; Y146-D150 PolarHBondContact O-N 3.19Å
147	A	89.9	Confident	86.3	Confident	62 Å²	62	107.2 Å²	107.2	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-34	173.7	0	0	0	0	0	112.4	D143 K151	D143-A147 WeakPolarHBondContact O-CB 3.38Å; D143-A147 PolarHBondContact O-N 3.19Å; A147-K151 WeakPolarHBondContact O-CB 3.31Å; A147-K151 PolarHBondContact O-N 3.24Å
148	A	89.6	Confident	86.3	Confident	55 Å²	55	102.9 Å²	102.9	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-67.7	-36.4	170.7	0	0	0	0	0	112.2	A144 I145 Y146 R152	A144-A148 WeakPolarHBondContact O-CB 3.26Å; A144-A148 PolarHBondContact O-N 3.15Å; I145-A148 PolarHBondContact O-N 2.95Å; Y146-A148 VanDerWaalsContact C-N 3.31Å; Y146-A148 PolarHBondContact O-N 3.39Å; A148-R152 WeakPolarHBondContact O-CB 3.48Å; A148-R152 PolarHBondContact O-N 3.42Å
149	L	89.7	Confident	86.3	Confident	91 Å²	91	106 Å²	106	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-50.7	171.9	-110	68.6	0	0	0	111.3	I145 Y146 R152 M153	I145-L149 HydrophobicContact CG2-CD1 4.37Å; I145-L149 PolarHBondContact O-N 3.09Å; Y146-L149 CarbonylContact O-C 3.55Å; Y146-L149 WeakPolarHBondContact O-CA 3.07Å; Y146-L149 VanDerWaalsContact O-CB 3.27Å; Y146-L149 WeakPolarHBondContact O-CB 3.44Å; Y146-L149 PolarHBondContact O-N 3.32Å; L149-R152 CarbonylContact O-C 3.57Å; L149-R152 WeakPolarHBondContact O-CA 3.35Å; L149-R152 WeakPolarHBondContact O-CB 3.38Å; L149-R152 PolarHBondContact O-N 3.28Å; L149-R152 VanDerWaalsContact O-N 3.11Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.39Å; L149-M153 PolarHBondContact O-N 3.26Å
150	D	88.4	Confident	86.2	Confident	110 Å²	110	112.2 Å²	112.2	59%	0.588	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-43.1	-179.4	-75.8	-13.8	0	0	0	111.6	Y146 R152 M153 D154	Y146-D150 PolarHBondContact O-N 3.19Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 2.84Å; D150-M153 WeakPolarHBondContact O-CB 3.42Å; D150-M153 PolarHBondContact O-N 3.29Å; D150-M153 VanDerWaalsContact O-N 3.1Å; D150-D154 PolarHBondContact O-N 3.45Å
151	K	87.6	Confident	86.3	Confident	120 Å²	120	111.8 Å²	111.8	52%	0.522	53%	0.529	S	S	.	.	H	α-helix	trans	-57.7	-40.3	171.3	-177.8	-179.1	173	-173.5	0	111.9	A147 D154 E155	A147-K151 WeakPolarHBondContact O-CB 3.31Å; A147-K151 PolarHBondContact O-N 3.24Å; K151-D154 PolarHBondContact O-N 2.9Å; K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 2.96Å
152	R	87	Confident	86.3	Confident	180 Å²	180	111.3 Å²	111.3	68%	0.679	53%	0.527	S	S	*	.	H	α-helix	trans	-70.4	-33.1	175.3	-179.2	-173.8	179.5	96.6	-0.7	112.6	A148 L149 D150 D154	A148-R152 WeakPolarHBondContact O-CB 3.48Å; A148-R152 PolarHBondContact O-N 3.42Å; L149-R152 CarbonylContact O-C 3.57Å; L149-R152 WeakPolarHBondContact O-CA 3.35Å; L149-R152 WeakPolarHBondContact O-CB 3.38Å; L149-R152 PolarHBondContact O-N 3.28Å; L149-R152 VanDerWaalsContact O-N 3.11Å; D150-R152 VanDerWaalsContact C-N 3.29Å; D150-R152 PolarHBondContact O-N 2.84Å; R152-D154 VanDerWaalsContact C-N 3.33Å
153	M	84.7	Confident	86.3	Confident	98 Å²	98	114.6 Å²	114.6	48%	0.483	54%	0.539	S	S	.	.	H	α-helix	trans	-66.8	-38.7	172.7	-71.4	-62.6	-72.1	0	0	110.7	L149 D150 R156	L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.39Å; L149-M153 PolarHBondContact O-N 3.26Å; D150-M153 WeakPolarHBondContact O-CB 3.42Å; D150-M153 PolarHBondContact O-N 3.29Å; D150-M153 VanDerWaalsContact O-N 3.1Å; M153-R156 WeakPolarHBondContact O-CB 3.44Å; M153-R156 WeakPolarHBondContact O-CD 3.08Å; M153-R156 VanDerWaalsContact O-CG 3.3Å; M153-R156 WeakPolarHBondContact O-CG 3.48Å; M153-R156 PolarHBondContact SD-NH2 2.9Å
154	D	84	Confident	86.4	Confident	70 Å²	70	119.1 Å²	119.1	37%	0.374	55%	0.549	S	S	.	.	H	α-helix	trans	-71.3	-36.7	174.8	-96.8	-6	0	0	0	113.9	D150 K151 R152 R156 R157 K158 R161	D150-D154 PolarHBondContact O-N 3.45Å; K151-D154 PolarHBondContact O-N 2.9Å; R152-D154 VanDerWaalsContact C-N 3.33Å; D154-R156 PolarHBondContact O-N 3.48Å; D154-R157 PolarHBondContact O-N 3.42Å; D154-K158 WeakPolarHBondContact O-CB 3.22Å; D154-K158 PolarHBondContact O-N 2.93Å; D154-R161 IonicContact OD1-CZ 3.27Å; D154-R161 VanDerWaalsContact OD1-CZ 3.27Å; D154-R161 IonicContact OD1-NH1 2.97Å; D154-R161 PolarHBondContact OD1-NH1 2.87Å; D154-R161 IonicContact OD1-NH2 2.67Å; D154-R161 PolarHBondContact OD1-NH2 3.02Å; D154-R161 IonicContact OD2-CZ 3.85Å; D154-R161 IonicContact OD2-NH1 2.83Å; D154-R161 PolarHBondContact OD2-NH1 3.37Å; D154-R161 IonicContact OD2-NH2 3.97Å
155	E	85.6	Confident	86.3	Confident	110 Å²	110	121.1 Å²	121.1	51%	0.514	55%	0.548	S	S	.	.	H	α-helix	trans	-50.1	-28.8	177.5	-89	174.8	-167.1	0	0	113.4	K151 R157 K158	K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 2.96Å; E155-R157 PolarHBondContact O-N 3.47Å; E155-K158 HydrophobicContact CG-CD 4.13Å; E155-K158 PolarHBondContact O-N 3.43Å
156	R	79.5	Confident	86.3	Confident	186 Å²	186	123.4 Å²	123.4	70%	0.702	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.7	-29.1	173.9	-62.1	179	-177.9	-167.3	0.2	114.5	M153 D154	M153-R156 WeakPolarHBondContact O-CB 3.44Å; M153-R156 WeakPolarHBondContact O-CD 3.08Å; M153-R156 VanDerWaalsContact O-CG 3.3Å; M153-R156 WeakPolarHBondContact O-CG 3.48Å; M153-R156 PolarHBondContact SD-NH2 2.9Å; D154-R156 PolarHBondContact O-N 3.48Å
157	R	80.3	Confident	86.3	Confident	183 Å²	183	120.3 Å²	120.3	69%	0.691	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	2	174.2	-73.4	-168.5	177.2	-168.7	1	114.4	D154 E155 E159 R160 R161	D154-R157 PolarHBondContact O-N 3.42Å; E155-R157 PolarHBondContact O-N 3.47Å; R157-E159 PolarHBondContact O-N 3.44Å; R157-R160 PolarHBondContact O-N 3.22Å; R157-R160 VanDerWaalsContact O-N 3.07Å; R157-R161 PolarHBondContact O-N 2.95Å
158	K	83.6	Confident	86.3	Confident	55 Å²	55	123.4 Å²	123.4	24%	0.239	55%	0.549	C	S	.	.	H	α-helix	trans	-47.5	-56.7	-171.3	-174.4	169.5	-172.8	175.4	0	113.6	D154 E155 R160 R161 E162	D154-K158 WeakPolarHBondContact O-CB 3.22Å; D154-K158 PolarHBondContact O-N 2.93Å; E155-K158 HydrophobicContact CG-CD 4.13Å; E155-K158 PolarHBondContact O-N 3.43Å; K158-R160 VanDerWaalsContact C-N 3.31Å; K158-R160 PolarHBondContact O-N 2.99Å; K158-R161 PolarHBondContact O-N 2.96Å; K158-E162 WeakPolarHBondContact CE-OE1 3.49Å; K158-E162 WeakPolarHBondContact CE-OE2 3.36Å; K158-E162 VanDerWaalsContact CG-CD 3.42Å; K158-E162 HydrophobicContact CG-CG 4Å; K158-E162 WeakPolarHBondContact CG-OE2 3.31Å; K158-E162 IonicContact NZ-OE1 3.78Å; K158-E162 WeakPolarHBondContact O-CB 3.46Å; K158-E162 WeakPolarHBondContact O-CG 3.38Å; K158-E162 PolarHBondContact O-N 2.95Å
159	E	83.3	Confident	86.1	Confident	171 Å²	171	124 Å²	124	80%	0.799	54%	0.544	S	S	*	.	H	α-helix	trans	-53.4	-45.1	180	-63.5	-176.9	155.7	0	0	113	R157 L163	R157-E159 PolarHBondContact O-N 3.44Å; E159-L163 WeakPolarHBondContact O-CB 3.26Å; E159-L163 PolarHBondContact O-N 2.96Å
160	R	84.3	Confident	86	Confident	199 Å²	199	125.5 Å²	125.5	75%	0.751	55%	0.548	S	S	*	.	H	α-helix	trans	-75.2	-30.1	178.9	-88.9	-174.3	-76.2	-176.1	-7	113.4	R157 K158 R164	R157-R160 PolarHBondContact O-N 3.22Å; R157-R160 VanDerWaalsContact O-N 3.07Å; K158-R160 VanDerWaalsContact C-N 3.31Å; K158-R160 PolarHBondContact O-N 2.99Å; R160-R164 VanDerWaalsContact O-CB 3.26Å; R160-R164 WeakPolarHBondContact O-CB 3.47Å; R160-R164 PolarHBondContact O-N 2.9Å
161	R	85.8	Confident	86	Confident	110 Å²	110	126.4 Å²	126.4	42%	0.415	55%	0.547	S	S	.	.	H	α-helix	trans	-72.4	-55.9	177.3	-168.4	-161.1	-57.3	158.4	-1.7	109.7	D154 R157 K158 L163 R164 E165	D154-R161 IonicContact OD1-CZ 3.27Å; D154-R161 VanDerWaalsContact OD1-CZ 3.27Å; D154-R161 IonicContact OD1-NH1 2.97Å; D154-R161 PolarHBondContact OD1-NH1 2.87Å; D154-R161 IonicContact OD1-NH2 2.67Å; D154-R161 PolarHBondContact OD1-NH2 3.02Å; D154-R161 IonicContact OD2-CZ 3.85Å; D154-R161 IonicContact OD2-NH1 2.83Å; D154-R161 PolarHBondContact OD2-NH1 3.37Å; D154-R161 IonicContact OD2-NH2 3.97Å; R157-R161 PolarHBondContact O-N 2.95Å; K158-R161 PolarHBondContact O-N 2.96Å; R161-L163 PolarHBondContact O-N 3.3Å; R161-R164 PolarHBondContact O-N 2.94Å; R161-E165 VanDerWaalsContact O-CB 3.28Å; R161-E165 WeakPolarHBondContact O-CB 3.16Å; R161-E165 PolarHBondContact O-N 3.36Å
162	E	86.1	Confident	85.9	Confident	101 Å²	101	127.4 Å²	127.4	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-62.4	-39.9	180	-67.3	-177.9	152.9	0	0	111.9	K158 K166	K158-E162 WeakPolarHBondContact CE-OE1 3.49Å; K158-E162 WeakPolarHBondContact CE-OE2 3.36Å; K158-E162 VanDerWaalsContact CG-CD 3.42Å; K158-E162 HydrophobicContact CG-CG 4Å; K158-E162 WeakPolarHBondContact CG-OE2 3.31Å; K158-E162 IonicContact NZ-OE1 3.78Å; K158-E162 WeakPolarHBondContact O-CB 3.46Å; K158-E162 WeakPolarHBondContact O-CG 3.38Å; K158-E162 PolarHBondContact O-N 2.95Å; E162-K166 WeakPolarHBondContact O-CB 3.29Å; E162-K166 PolarHBondContact O-N 2.97Å
163	L	87.4	Confident	85.7	Confident	105 Å²	105	125.5 Å²	125.5	55%	0.55	54%	0.541	S	S	.	.	H	α-helix	trans	-67.8	-41	177	-172.1	141.1	0	0	0	111.8	E159 R161 E167	E159-L163 WeakPolarHBondContact O-CB 3.26Å; E159-L163 PolarHBondContact O-N 2.96Å; R161-L163 PolarHBondContact O-N 3.3Å; L163-E167 WeakPolarHBondContact CD2-OE1 3.43Å; L163-E167 WeakPolarHBondContact O-CB 3.38Å; L163-E167 WeakPolarHBondContact O-CG 3.45Å; L163-E167 PolarHBondContact O-N 3.49Å
164	R	88.7	Confident	85.5	Confident	181 Å²	181	128.4 Å²	128.4	68%	0.683	56%	0.556	S	S	*	*	H	α-helix	trans	-65.7	-46.6	174	178.7	176.7	-70.4	175.9	-5.2	111.7	R160 R161 K166 E167 E168	R160-R164 VanDerWaalsContact O-CB 3.26Å; R160-R164 WeakPolarHBondContact O-CB 3.47Å; R160-R164 PolarHBondContact O-N 2.9Å; R161-R164 PolarHBondContact O-N 2.94Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.29Å; R164-E167 PolarHBondContact O-N 3.16Å; R164-E168 WeakPolarHBondContact O-CB 3.31Å; R164-E168 PolarHBondContact O-N 2.92Å
165	E	86.8	Confident	85.4	Confident	103 Å²	103	131.6 Å²	131.6	48%	0.481	57%	0.568	S	S	.	*	H	α-helix	trans	-60.8	-40.8	178.2	-178	176.2	-179.8	0	0	111	R161 E168 I169	R161-E165 VanDerWaalsContact O-CB 3.28Å; R161-E165 WeakPolarHBondContact O-CB 3.16Å; R161-E165 PolarHBondContact O-N 3.36Å; E165-E168 PolarHBondContact O-N 2.81Å; E165-I169 HydrophobicContact CG-CD1 3.8Å; E165-I169 WeakPolarHBondContact O-CB 3.41Å; E165-I169 WeakPolarHBondContact O-CD1 3.22Å; E165-I169 WeakPolarHBondContact O-CG1 3.45Å; E165-I169 PolarHBondContact O-N 2.89Å
166	K	89.9	Confident	85.3	Confident	154 Å²	154	133.9 Å²	133.9	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-64.1	-47.3	174.1	-173.5	179	-179.5	-176.2	0	112.3	E162 R164 E168 E170	E162-K166 WeakPolarHBondContact O-CB 3.29Å; E162-K166 PolarHBondContact O-N 2.97Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.29Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.46Å; K166-E170 VanDerWaalsContact O-CB 3.3Å; K166-E170 WeakPolarHBondContact O-CB 3.3Å; K166-E170 PolarHBondContact O-N 2.97Å
167	E	90.2	Very high	85.6	Confident	83 Å²	83	126.9 Å²	126.9	39%	0.388	55%	0.551	S	S	.	*	H	α-helix	trans	-61.3	-38.4	174.1	-81.7	-170.2	-154.1	0	0	112.6	L163 R164 E170 K171	L163-E167 WeakPolarHBondContact CD2-OE1 3.43Å; L163-E167 WeakPolarHBondContact O-CB 3.38Å; L163-E167 WeakPolarHBondContact O-CG 3.45Å; L163-E167 PolarHBondContact O-N 3.49Å; R164-E167 PolarHBondContact O-N 3.16Å; E167-E170 PolarHBondContact O-N 3.32Å; E167-K171 WeakPolarHBondContact O-CB 3.48Å; E167-K171 VanDerWaalsContact O-CG 3.28Å; E167-K171 WeakPolarHBondContact O-CG 3.31Å; E167-K171 PolarHBondContact O-N 3.09Å; E167-K171 IonicContact OE2-NZ 3.84Å; E167-K171 PolarHBondContact OE2-NZ 2.96Å
168	E	89.3	Confident	85.8	Confident	127 Å²	127	124.8 Å²	124.8	59%	0.593	55%	0.547	S	S	*	.	H	α-helix	trans	-72.4	-43.2	-178.4	-173.8	162.5	-159.6	0	0	110.7	R164 E165 K166 E170 K171 Y172	R164-E168 WeakPolarHBondContact O-CB 3.31Å; R164-E168 PolarHBondContact O-N 2.92Å; E165-E168 PolarHBondContact O-N 2.81Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.46Å; E168-E170 VanDerWaalsContact C-N 3.31Å; E168-E170 PolarHBondContact O-N 3.42Å; E168-K171 PolarHBondContact O-N 2.93Å; E168-Y172 WeakPolarHBondContact O-CB 3.42Å; E168-Y172 PolarHBondContact O-N 3.18Å
169	I	86.3	Confident	85.7	Confident	68 Å²	68	128.1 Å²	128.1	35%	0.349	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-36.4	171.4	-68.3	167.1	0	0	0	111.1	E165 R173	E165-I169 HydrophobicContact CG-CD1 3.8Å; E165-I169 WeakPolarHBondContact O-CB 3.41Å; E165-I169 WeakPolarHBondContact O-CD1 3.22Å; E165-I169 WeakPolarHBondContact O-CG1 3.45Å; E165-I169 PolarHBondContact O-N 2.89Å; I169-R173 VanDerWaalsContact O-CB 3.31Å; I169-R173 WeakPolarHBondContact O-CB 3.42Å; I169-R173 WeakPolarHBondContact O-CG 3.43Å; I169-R173 PolarHBondContact O-N 3.41Å
170	E	86.6	Confident	85.7	Confident	122 Å²	122	127.3 Å²	127.3	57%	0.57	56%	0.562	S	S	*	*	H	α-helix	trans	-67.5	-52.4	175.4	-176	174.4	-162.7	0	0	111.7	K166 E167 E168 Y172 R173 M174	K166-E170 VanDerWaalsContact O-CB 3.3Å; K166-E170 WeakPolarHBondContact O-CB 3.3Å; K166-E170 PolarHBondContact O-N 2.97Å; E167-E170 PolarHBondContact O-N 3.32Å; E168-E170 VanDerWaalsContact C-N 3.31Å; E168-E170 PolarHBondContact O-N 3.42Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 3.13Å; E170-R173 PolarHBondContact O-N 3.27Å; E170-R173 VanDerWaalsContact O-N 3.15Å; E170-M174 WeakPolarHBondContact O-CG 3.48Å; E170-M174 PolarHBondContact O-N 2.96Å
171	K	88.4	Confident	85.6	Confident	129 Å²	129	121.1 Å²	121.1	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-58.6	-43.6	175.6	-74.5	165.3	-175.2	155.3	0	111.6	E167 E168 R173 M174 E175	E167-K171 WeakPolarHBondContact O-CB 3.48Å; E167-K171 VanDerWaalsContact O-CG 3.28Å; E167-K171 WeakPolarHBondContact O-CG 3.31Å; E167-K171 PolarHBondContact O-N 3.09Å; E167-K171 IonicContact OE2-NZ 3.84Å; E167-K171 PolarHBondContact OE2-NZ 2.96Å; E168-K171 PolarHBondContact O-N 2.93Å; K171-R173 VanDerWaalsContact C-N 3.35Å; K171-R173 PolarHBondContact O-N 3.43Å; K171-M174 PolarHBondContact O-N 3.1Å; K171-M174 VanDerWaalsContact O-N 3.13Å; K171-E175 PolarHBondContact O-N 3.39Å
172	Y	85.3	Confident	85.3	Confident	141 Å²	141	121.1 Å²	121.1	55%	0.553	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-37.9	176.5	-176.7	-105.1	0	0	0	112.3	E168 E170 M174 R176	E168-Y172 WeakPolarHBondContact O-CB 3.42Å; E168-Y172 PolarHBondContact O-N 3.18Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 3.13Å; Y172-M174 VanDerWaalsContact C-N 3.34Å; Y172-R176 HydrophobicContact CE2-CB 4.42Å; Y172-R176 CarbonylContact O-C 3.56Å; Y172-R176 VanDerWaalsContact O-C 3.32Å; Y172-R176 WeakPolarHBondContact O-CA 3.1Å; Y172-R176 PolarHBondContact O-N 3.14Å
173	R	84	Confident	85.2	Confident	140 Å²	140	121.6 Å²	121.6	53%	0.528	55%	0.547	S	S	.	.	H	α-helix	trans	-71.4	-25.4	172.8	-75.2	172.5	-172.2	-166	7.1	113.4	I169 E170 K171 P177	I169-R173 VanDerWaalsContact O-CB 3.31Å; I169-R173 WeakPolarHBondContact O-CB 3.42Å; I169-R173 WeakPolarHBondContact O-CG 3.43Å; I169-R173 PolarHBondContact O-N 3.41Å; E170-R173 PolarHBondContact O-N 3.27Å; E170-R173 VanDerWaalsContact O-N 3.15Å; K171-R173 VanDerWaalsContact C-N 3.35Å; K171-R173 PolarHBondContact O-N 3.43Å; R173-P177 VanDerWaalsContact O-CA 3.26Å; R173-P177 WeakPolarHBondContact O-CA 3.28Å; R173-P177 VanDerWaalsContact O-CB 3.23Å; R173-P177 WeakPolarHBondContact O-CB 3.39Å; R173-P177 WeakPolarHBondContact O-CD 3.33Å; R173-P177 VanDerWaalsContact O-N 3.16Å
174	M	81	Confident	85.2	Confident	159 Å²	159	118.6 Å²	118.6	78%	0.783	54%	0.535	S	S	*	.	H	α-helix	trans	-78.3	-40.1	173.5	-72.1	-68.2	-73.9	0	0	112.1	E170 K171 Y172	E170-M174 WeakPolarHBondContact O-CG 3.48Å; E170-M174 PolarHBondContact O-N 2.96Å; K171-M174 PolarHBondContact O-N 3.1Å; K171-M174 VanDerWaalsContact O-N 3.13Å; Y172-M174 VanDerWaalsContact C-N 3.34Å
175	E	81.5	Confident	85.1	Confident	136 Å²	136	115.2 Å²	115.2	64%	0.636	53%	0.53	S	S	*	.	H	α-helix	trans	-75	-45.3	176.8	-166.3	-152.5	131.6	0	0	111.9	K171	K171-E175 PolarHBondContact O-N 3.39Å
176	R	83.4	Confident	85.1	Confident	158 Å²	158	115.4 Å²	115.4	60%	0.596	53%	0.534	S	S	*	.	S	Bend	trans	-136.1	67.7	-175	-63.1	-172.6	-177.8	-143.6	-5.1	111.3	Y172 K178	Y172-R176 HydrophobicContact CE2-CB 4.42Å; Y172-R176 CarbonylContact O-C 3.56Å; Y172-R176 VanDerWaalsContact O-C 3.32Å; Y172-R176 WeakPolarHBondContact O-CA 3.1Å; Y172-R176 PolarHBondContact O-N 3.14Å; R176-K178 PolarHBondContact O-N 3.04Å
177	P	85.4	Confident	84.9	Confident	39 Å²	39	115.7 Å²	115.7	25%	0.253	54%	0.535	S	S	.	.			trans	-56	141.8	172	18.8	-26.9	0	0	0	110.4	R173 Q181 Q182	R173-P177 VanDerWaalsContact O-CA 3.26Å; R173-P177 WeakPolarHBondContact O-CA 3.28Å; R173-P177 VanDerWaalsContact O-CB 3.23Å; R173-P177 WeakPolarHBondContact O-CB 3.39Å; R173-P177 WeakPolarHBondContact O-CD 3.33Å; R173-P177 VanDerWaalsContact O-N 3.16Å; P177-Q181 HydrophobicContact CB-CB 4.15Å; P177-Q182 HydrophobicContact CB-CG 4.08Å; P177-Q182 HydrophobicContact CG-CG 3.76Å; P177-Q182 PolarHBondContact O-NE2 3.23Å
178	K	84.9	Confident	84.8	Confident	140 Å²	140	120.8 Å²	120.8	61%	0.609	55%	0.551	S	S	*	*			trans	-59.5	150.3	175.9	-67.4	-171.3	176.7	-173.7	0	109.2	R176 Q180 Q181 Q182	R176-K178 PolarHBondContact O-N 3.04Å; K178-Q180 VanDerWaalsContact C-N 3.26Å; K178-Q180 HydrophobicContact CB-CG 4.36Å; K178-Q180 PolarHBondContact O-N 2.96Å; K178-Q180 VanDerWaalsContact O-N 3.12Å; K178-Q181 HydrophobicContact CB-CG 4.44Å; K178-Q181 WeakPolarHBondContact O-CA 3.47Å; K178-Q181 VanDerWaalsContact O-CB 3.31Å; K178-Q181 WeakPolarHBondContact O-CB 3.29Å; K178-Q181 PolarHBondContact O-N 3.04Å; K178-Q182 PolarHBondContact O-N 2.89Å; K178-Q182 VanDerWaalsContact O-N 3.08Å
179	I	82.1	Confident	84.6	Confident	125 Å²	125	121.4 Å²	121.4	64%	0.641	55%	0.552	S	S	*	*	H	α-helix	trans	-50.2	-46.2	-176.1	-60.5	170.9	0	0	0	111.5	Q181 Q182 F183	I179-Q181 PolarHBondContact O-N 2.74Å; I179-Q181 VanDerWaalsContact O-N 3.16Å; I179-Q182 WeakPolarHBondContact O-CB 3.34Å; I179-Q182 PolarHBondContact O-N 3.31Å; I179-Q182 VanDerWaalsContact O-N 3.12Å; I179-F183 HydrophobicContact CG2-CD2 3.8Å; I179-F183 HydrophobicContact CG2-CE2 3.98Å; I179-F183 VanDerWaalsContact O-CD2 3.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.45Å; I179-F183 PolarHBondContact O-N 3.22Å
180	Q	81.3	Confident	84.5	Confident	153 Å²	153	122.1 Å²	122.1	72%	0.715	56%	0.556	S	S	*	*	H	α-helix	trans	-62.4	-20.9	176.6	61.9	177.4	-16.9	0	0	115.6	K178 S184	K178-Q180 VanDerWaalsContact C-N 3.26Å; K178-Q180 HydrophobicContact CB-CG 4.36Å; K178-Q180 PolarHBondContact O-N 2.96Å; K178-Q180 VanDerWaalsContact O-N 3.12Å; Q180-S184 PolarHBondContact O-N 2.88Å
181	Q	82.6	Confident	84.4	Confident	70 Å²	70	120.5 Å²	120.5	33%	0.327	56%	0.563	S	S	.	*	H	α-helix	trans	-85.8	-36.1	173.6	-64.1	169.6	-43.7	0	0	111.1	P177 K178 I179 F183 S184	P177-Q181 HydrophobicContact CB-CB 4.15Å; K178-Q181 HydrophobicContact CB-CG 4.44Å; K178-Q181 WeakPolarHBondContact O-CA 3.47Å; K178-Q181 VanDerWaalsContact O-CB 3.31Å; K178-Q181 WeakPolarHBondContact O-CB 3.29Å; K178-Q181 PolarHBondContact O-N 3.04Å; I179-Q181 PolarHBondContact O-N 2.74Å; I179-Q181 VanDerWaalsContact O-N 3.16Å; Q181-F183 PolarHBondContact O-N 3.13Å; Q181-S184 PolarHBondContact O-N 3.15Å; Q181-S184 PolarHBondContact O-OG 3.38Å
182	Q	80.1	Confident	84.4	Confident	109 Å²	109	122.1 Å²	122.1	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-60.3	-37.3	170.8	-62.7	172.2	12.4	0	0	111.5	P177 K178 I179	P177-Q182 HydrophobicContact CB-CG 4.08Å; P177-Q182 HydrophobicContact CG-CG 3.76Å; P177-Q182 PolarHBondContact O-NE2 3.23Å; K178-Q182 PolarHBondContact O-N 2.89Å; K178-Q182 VanDerWaalsContact O-N 3.08Å; I179-Q182 WeakPolarHBondContact O-CB 3.34Å; I179-Q182 PolarHBondContact O-N 3.31Å; I179-Q182 VanDerWaalsContact O-N 3.12Å
183	F	84.4	Confident	84.6	Confident	111 Å²	111	117.6 Å²	117.6	49%	0.487	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.6	9.3	179.1	-68.4	-78	0	0	0	114	I179 Q181 D185 L186 K187	I179-F183 HydrophobicContact CG2-CD2 3.8Å; I179-F183 HydrophobicContact CG2-CE2 3.98Å; I179-F183 VanDerWaalsContact O-CD2 3.31Å; I179-F183 WeakPolarHBondContact O-CD2 3.45Å; I179-F183 PolarHBondContact O-N 3.22Å; Q181-F183 PolarHBondContact O-N 3.13Å; F183-D185 PolarHBondContact O-N 3.44Å; F183-L186 HydrophobicContact CD1-CD1 3.87Å; F183-L186 HydrophobicContact CE1-CD1 4.14Å; F183-L186 PolarHBondContact O-N 3.43Å; F183-K187 VanDerWaalsContact O-CB 3.22Å; F183-K187 WeakPolarHBondContact O-CB 3.38Å; F183-K187 PolarHBondContact O-N 3.38Å
184	S	87.3	Confident	84.9	Confident	43 Å²	43	113.4 Å²	113.4	30%	0.301	55%	0.552	S	S	.	*	H	α-helix	trans	-61.1	-37.3	-178.9	56.2	0	0	0	0	112.5	Q180 Q181 K187 R188	Q180-S184 PolarHBondContact O-N 2.88Å; Q181-S184 PolarHBondContact O-N 3.15Å; Q181-S184 PolarHBondContact O-OG 3.38Å; S184-K187 PolarHBondContact O-N 3.16Å; S184-R188 WeakPolarHBondContact O-CB 3.07Å; S184-R188 PolarHBondContact O-N 3.39Å
185	D	86.9	Confident	85.1	Confident	109 Å²	109	113.5 Å²	113.5	58%	0.583	55%	0.55	S	S	*	*	H	α-helix	trans	-78.7	-40.7	-172.3	-59.9	3.3	0	0	0	109.9	F183 R188 K189	F183-D185 PolarHBondContact O-N 3.44Å; D185-R188 PolarHBondContact O-N 3Å; D185-K189 WeakPolarHBondContact O-CB 3.4Å; D185-K189 PolarHBondContact O-N 3.41Å
186	L	85.5	Confident	85.3	Confident	107 Å²	107	114.7 Å²	114.7	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-66.3	-37.5	170.3	-67.4	179.2	0	0	0	111.9	F183 R188 K189 L190	F183-L186 HydrophobicContact CD1-CD1 3.87Å; F183-L186 HydrophobicContact CE1-CD1 4.14Å; F183-L186 PolarHBondContact O-N 3.43Å; L186-R188 VanDerWaalsContact C-N 3.35Å; L186-K189 CarbonylContact O-C 3.32Å; L186-K189 PolarHBondContact O-N 3.42Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.25Å
187	K	85.9	Confident	85.3	Confident	161 Å²	161	112.5 Å²	112.5	70%	0.7	55%	0.552	S	S	*	*	H	α-helix	trans	-66.9	-35	174.1	-173.7	177.2	-179.5	-178.2	0	112.2	F183 S184 L190	F183-K187 VanDerWaalsContact O-CB 3.22Å; F183-K187 WeakPolarHBondContact O-CB 3.38Å; F183-K187 PolarHBondContact O-N 3.38Å; S184-K187 PolarHBondContact O-N 3.16Å; K187-L190 WeakPolarHBondContact O-CB 3.4Å; K187-L190 PolarHBondContact O-N 3.34Å
188	R	87.7	Confident	85.2	Confident	190 Å²	190	116.6 Å²	116.6	72%	0.717	56%	0.563	S	S	*	*	H	α-helix	trans	-68.1	-40.8	172.6	-165.7	-179.5	-59.5	166.5	6.3	111.1	S184 D185 L186 L190 A191	S184-R188 WeakPolarHBondContact O-CB 3.07Å; S184-R188 PolarHBondContact O-N 3.39Å; D185-R188 PolarHBondContact O-N 3Å; L186-R188 VanDerWaalsContact C-N 3.35Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 3.45Å; R188-A191 WeakPolarHBondContact O-CB 3.28Å; R188-A191 PolarHBondContact O-N 3.06Å
189	K	85.4	Confident	85.2	Confident	139 Å²	139	117.2 Å²	117.2	60%	0.604	57%	0.572	S	S	*	*	H	α-helix	trans	-68.5	-28.6	175.1	-158.8	168.6	-171.7	173.7	0	113.2	D185 L186 A191 E192	D185-K189 WeakPolarHBondContact O-CB 3.4Å; D185-K189 PolarHBondContact O-N 3.41Å; L186-K189 CarbonylContact O-C 3.32Å; L186-K189 PolarHBondContact O-N 3.42Å; K189-A191 PolarHBondContact O-N 2.67Å; K189-E192 VanDerWaalsContact O-CB 3.3Å; K189-E192 WeakPolarHBondContact O-CB 3.35Å; K189-E192 PolarHBondContact O-N 3.24Å; K189-E192 VanDerWaalsContact O-N 3.15Å
190	L	83.6	Confident	85.2	Confident	84 Å²	84	115 Å²	115	44%	0.44	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-66.5	-20.9	173.7	-161	76.4	0	0	0	112.9	L186 K187 R188 E192 V193 W198	L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.25Å; K187-L190 WeakPolarHBondContact O-CB 3.4Å; K187-L190 PolarHBondContact O-N 3.34Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 3.45Å; L190-E192 PolarHBondContact O-N 2.89Å; L190-V193 PolarHBondContact O-N 3.2Å; L190-W198 HydrophobicContact CD1-CZ2 4.4Å; L190-W198 HydrophobicContact CD2-CH2 3.73Å; L190-W198 HydrophobicContact CD2-CZ2 3.72Å; L190-W198 HydrophobicContact CG-CH2 4.18Å; L190-W198 HydrophobicContact CG-CZ2 3.73Å
191	A	85.6	Confident	85.1	Confident	87 Å²	87	112.5 Å²	112.5	72%	0.719	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-76.1	-7.6	174.1	0	0	0	0	0	113.4	R188 K189	R188-A191 WeakPolarHBondContact O-CB 3.28Å; R188-A191 PolarHBondContact O-N 3.06Å; K189-A191 PolarHBondContact O-N 2.67Å
192	E	89.3	Confident	84.7	Confident	163 Å²	163	114.6 Å²	114.6	76%	0.762	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-87.5	-13.7	175.6	-160	165	-168.9	0	0	112.2	K189 L190	K189-E192 VanDerWaalsContact O-CB 3.3Å; K189-E192 WeakPolarHBondContact O-CB 3.35Å; K189-E192 PolarHBondContact O-N 3.24Å; K189-E192 VanDerWaalsContact O-N 3.15Å; L190-E192 PolarHBondContact O-N 2.89Å
193	V	89.1	Confident	84.6	Confident	47 Å²	47	117.7 Å²	117.7	29%	0.285	59%	0.592	S	S	.	*	S	Bend	trans	-72.7	126.5	174.5	177.4	0	0	0	0	109.6	L190 E197 W198	L190-V193 PolarHBondContact O-N 3.2Å; V193-E197 HydrophobicContact CG1-CB 3.56Å; V193-W198 HydrophobicContact CG1-CG 4.34Å
194	S	89.3	Confident	83.8	Confident	52 Å²	52	118.5 Å²	118.5	36%	0.364	61%	0.606	S	S	.	*			trans	-71.6	157	-177.2	77.5	0	0	0	0	112.3	E196 E197 W198	S194-E196 PolarHBondContact O-N 2.83Å; S194-E197 PolarHBondContact O-N 3.2Å; S194-E197 PolarHBondContact OG-N 2.86Å; S194-W198 VanDerWaalsContact O-CD1 3.24Å; S194-W198 PolarHBondContact O-N 3.17Å
195	E	86.4	Confident	82.5	Confident	161 Å²	161	118.5 Å²	118.5	75%	0.752	61%	0.613	S	S	*	*	H	α-helix	trans	-60.1	-29.4	176.3	-66.2	-170.4	171.1	0	0	112.4	W198 L199	E195-W198 WeakPolarHBondContact O-CB 3.34Å; E195-W198 PolarHBondContact O-N 3.11Å; E195-L199 WeakPolarHBondContact O-CD1 3.46Å; E195-L199 PolarHBondContact O-N 3.27Å
196	E	85.9	Confident	81	Confident	160 Å²	160	120.9 Å²	120.9	75%	0.748	63%	0.626	S	S	*	*	H	α-helix	trans	-66.6	-39.1	174.7	-61.1	179	162.4	0	0	112	S194 S200	S194-E196 PolarHBondContact O-N 2.83Å; E196-S200 WeakPolarHBondContact O-CB 3.48Å; E196-S200 PolarHBondContact O-N 3.31Å; E196-S200 VanDerWaalsContact O-N 3.13Å; E196-S200 PolarHBondContact O-OG 2.65Å
197	E	82.4	Confident	79.7	Confident	112 Å²	112	120.2 Å²	120.2	52%	0.523	64%	0.636	S	S	.	*	H	α-helix	trans	-68.3	-36.5	171.5	-71.5	-175	157.8	0	0	111.4	V193 S194 S200 I201	V193-E197 HydrophobicContact CG1-CB 3.56Å; S194-E197 PolarHBondContact O-N 3.2Å; S194-E197 PolarHBondContact OG-N 2.86Å; E197-S200 WeakPolarHBondContact CA-OG 3.4Å; E197-S200 PolarHBondContact O-N 3.27Å; E197-S200 PolarHBondContact O-OG 2.85Å; E197-I201 WeakPolarHBondContact O-CG1 3.36Å; E197-I201 PolarHBondContact O-N 3.34Å; E197-I201 VanDerWaalsContact O-N 3.16Å
198	W	84.3	Confident	78.2	Confident	125 Å²	125	122.3 Å²	122.3	47%	0.473	64%	0.639	S	S	.	*	H	α-helix	trans	-64.1	-41.1	173.8	-83.2	101.4	0	0	0	113.6	L190 V193 S194 E195 S200 I201	L190-W198 HydrophobicContact CD1-CZ2 4.4Å; L190-W198 HydrophobicContact CD2-CH2 3.73Å; L190-W198 HydrophobicContact CD2-CZ2 3.72Å; L190-W198 HydrophobicContact CG-CH2 4.18Å; L190-W198 HydrophobicContact CG-CZ2 3.73Å; V193-W198 HydrophobicContact CG1-CG 4.34Å; S194-W198 VanDerWaalsContact O-CD1 3.24Å; S194-W198 PolarHBondContact O-N 3.17Å; E195-W198 WeakPolarHBondContact O-CB 3.34Å; E195-W198 PolarHBondContact O-N 3.11Å; W198-S200 VanDerWaalsContact C-N 3.3Å; W198-I201 HydrophobicContact CD2-CD1 4.22Å; W198-I201 HydrophobicContact CE3-CD1 3.55Å; W198-I201 HydrophobicContact CZ3-CD1 4.02Å; W198-I201 WeakPolarHBondContact O-CG1 3.31Å
199	L	83.6	Confident	76.7	Confident	153 Å²	153	116.9 Å²	116.9	80%	0.801	62%	0.624	S	S	*	*	H	α-helix	trans	-73.6	-21.2	176	-87.1	88.5	0	0	0	113	E195	E195-L199 WeakPolarHBondContact O-CD1 3.46Å; E195-L199 PolarHBondContact O-N 3.27Å
200	S	81.9	Confident	75.3	Confident	80 Å²	80	118 Å²	118	56%	0.559	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	4	178.8	57.1	0	0	0	0	114.5	E196 E197 W198 P202	E196-S200 WeakPolarHBondContact O-CB 3.48Å; E196-S200 PolarHBondContact O-N 3.31Å; E196-S200 VanDerWaalsContact O-N 3.13Å; E196-S200 PolarHBondContact O-OG 2.65Å; E197-S200 WeakPolarHBondContact CA-OG 3.4Å; E197-S200 PolarHBondContact O-N 3.27Å; E197-S200 PolarHBondContact O-OG 2.85Å; W198-S200 VanDerWaalsContact C-N 3.3Å; S200-P202 WeakPolarHBondContact O-CD 3.48Å; S200-P202 VanDerWaalsContact O-N 3.14Å
201	I	79.1	Confident	73.8	Confident	99 Å²	99	125 Å²	125	51%	0.508	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-55.1	117.7	169	-62.7	-179.6	0	0	0	109.2	E197 W198 E203	E197-I201 WeakPolarHBondContact O-CG1 3.36Å; E197-I201 PolarHBondContact O-N 3.34Å; E197-I201 VanDerWaalsContact O-N 3.16Å; W198-I201 HydrophobicContact CD2-CD1 4.22Å; W198-I201 HydrophobicContact CE3-CD1 3.55Å; W198-I201 HydrophobicContact CZ3-CD1 4.02Å; W198-I201 WeakPolarHBondContact O-CG1 3.31Å; I201-E203 PolarHBondContact O-N 3.45Å
202	P	75.7	Confident	72.4	Confident	114 Å²	114	128.4 Å²	128.4	74%	0.74	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-65.6	134.2	177.4	-20.8	33.6	0	0	0	111.1	S200	S200-P202 WeakPolarHBondContact O-CD 3.48Å; S200-P202 VanDerWaalsContact O-N 3.14Å
203	E	76.4	Confident	70.7	Confident	174 Å²	174	129.5 Å²	129.5	81%	0.813	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-59.5	154.2	163.1	62	-162.3	-127.2	0	0	111	I201 G205	I201-E203 PolarHBondContact O-N 3.45Å; E203-G205 PolarHBondContact O-N 3.19Å
204	V	68.1	Low	68.9	Low	128 Å²	128	133.7 Å²	133.7	78%	0.776	67%	0.669	S	S	*	*	S	Bend	trans	-72.3	31.6	179.6	-64.2	0	0	0	0	114	D206	V204-D206 VanDerWaalsContact C-N 3.34Å; V204-D206 PolarHBondContact O-N 3.32Å
205	G	60.4	Low	67	Low	43 Å²	43	136.8 Å²	136.8	44%	0.443	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.5	-38.6	-171	0	0	0	0	0	114.4	E203	E203-G205 PolarHBondContact O-N 3.19Å
206	D	56.1	Low	65.1	Low	160 Å²	160	140.8 Å²	140.8	86%	0.856	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-7.1	-173.6	-76.3	-42.5	0	0	0	115.5	V204	V204-D206 VanDerWaalsContact C-N 3.34Å; V204-D206 PolarHBondContact O-N 3.32Å
207	A	58.6	Low	63.3	Low	93 Å²	93	142.3 Å²	142.3	77%	0.769	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-13.1	179.6	0	0	0	0	0	114.3
208	R	54	Low	61.7	Low	204 Å²	204	144.8 Å²	144.8	77%	0.77	71%	0.714	S	S	*	*			trans	-150.6	65.4	-176.5	-154.8	178.3	-175.2	-162.1	4.4	114.1	K210	R208-K210 PolarHBondContact O-N 2.9Å
209	N	55	Low	59.9	Low	76 Å²	76	148.1 Å²	148.1	41%	0.406	73%	0.732	S	S	.	*			trans	-72.9	64.8	-175.9	-157.2	-8.7	0	0	0	114.2	Q212	N209-Q212 PolarHBondContact ND2-OE1 3.13Å; N209-Q212 VanDerWaalsContact OD1-CB 3.29Å; N209-Q212 WeakPolarHBondContact OD1-CB 3.2Å; N209-Q212 WeakPolarHBondContact OD1-CG 3.4Å; N209-Q212 PolarHBondContact OD1-N 3.15Å
210	K	56.6	Low	58.6	Low	162 Å²	162	148 Å²	148	70%	0.704	73%	0.731	S	S	*	*			trans	-82.4	-12.4	179.3	-160.8	173.6	-177.8	-178.9	0	113.1	R208	R208-K210 PolarHBondContact O-N 2.9Å
211	R	53.3	Low	57.6	Low	232 Å²	232	149.4 Å²	149.4	88%	0.875	74%	0.737	S	S	*	*	S	Bend	trans	-99.9	-29.9	-173.9	-152	175.9	-173.5	-171.1	0.8	114.5	R213	R211-R213 VanDerWaalsContact C-N 3.26Å
212	Q	55.6	Low	56.7	Low	158 Å²	158	150.6 Å²	150.6	74%	0.738	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-15.9	168.4	-65.6	179.3	-11.5	0	0	112.6	N209 N214	N209-Q212 PolarHBondContact ND2-OE1 3.13Å; N209-Q212 VanDerWaalsContact OD1-CB 3.29Å; N209-Q212 WeakPolarHBondContact OD1-CB 3.2Å; N209-Q212 WeakPolarHBondContact OD1-CG 3.4Å; N209-Q212 PolarHBondContact OD1-N 3.15Å; Q212-N214 VanDerWaalsContact C-N 3.28Å; Q212-N214 PolarHBondContact O-N 3.23Å
213	R	52.8	Low	55.9	Low	187 Å²	187	149 Å²	149	71%	0.706	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-10.9	178.4	-153.7	172.2	178.5	-175.6	-1.4	114.4	R211 P215	R211-R213 VanDerWaalsContact C-N 3.26Å; R213-P215 WeakPolarHBondContact O-CD 3.37Å
214	N	52.6	Low	54.9	Low	134 Å²	134	145.1 Å²	145.1	72%	0.717	73%	0.729	S	S	*	*			trans	-114.7	93	173	-81.4	25.6	0	0	0	111.3	Q212	Q212-N214 VanDerWaalsContact C-N 3.28Å; Q212-N214 PolarHBondContact O-N 3.23Å
215	P	47.9	Very low	54.2	Low	117 Å²	117	145 Å²	145	76%	0.76	72%	0.724	S	S	*	*			trans	-56.3	157.1	146.9	28.2	-32.8	0	0	0	110	R213	R213-P215 WeakPolarHBondContact O-CD 3.37Å
216	R	47.3	Very low	54	Low	246 Å²	246	146.9 Å²	146.9	93%	0.928	73%	0.73	S	S	*	*	S	Bend	trans	-50.1	161.5	-168.4	-79.1	170.5	151.6	159.6	-8.5	116.3
217	H	48.6	Very low	53.6	Low	192 Å²	192	145.3 Å²	145.3	89%	0.889	72%	0.716	S	S	*	*			trans	-29.5	133	172.7	-66	-7.5	0	0	0	114.8	K219	H217-K219 PolarHBondContact O-N 2.98Å; H217-K219 VanDerWaalsContact O-N 3.14Å
218	E	47.1	Very low	53.4	Low	164 Å²	164	147.3 Å²	147.3	77%	0.766	71%	0.707	S	S	*	*			trans	-58.5	113.7	170.7	-63.3	177.1	161.6	0	0	110.5	L220	E218-L220 HydrophobicContact CB-CG 4.35Å; E218-L220 PolarHBondContact O-N 2.98Å
219	K	48.5	Very low	53.4	Low	194 Å²	194	140.9 Å²	140.9	84%	0.843	69%	0.694	S	S	*	*			trans	-71.1	104.6	140.5	-94.7	-172.3	171.6	-175.3	0	106	H217 T221	H217-K219 PolarHBondContact O-N 2.98Å; H217-K219 VanDerWaalsContact O-N 3.14Å; K219-T221 VanDerWaalsContact C-N 3.28Å; K219-T221 PolarHBondContact O-N 3.37Å
220	L	54.8	Low	53.1	Low	151 Å²	151	144.8 Å²	144.8	79%	0.791	71%	0.707	S	S	*	*			trans	-65	90.6	168.5	-73.9	162	0	0	0	109.1	E218	E218-L220 HydrophobicContact CB-CG 4.35Å; E218-L220 PolarHBondContact O-N 2.98Å
221	T	62.1	Low	52.6	Low	109 Å²	109	143.2 Å²	143.2	67%	0.669	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-82.8	132.5	156.6	51.1	0	0	0	0	107.9	K219 V223	K219-T221 VanDerWaalsContact C-N 3.28Å; K219-T221 PolarHBondContact O-N 3.37Å; T221-V223 PolarHBondContact O-N 2.98Å
222	P	60.5	Low	52.4	Low	124 Å²	124	139.7 Å²	139.7	81%	0.805	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-52	131.5	173.8	-26.3	34.6	0	0	0	111.2
223	V	57.1	Low	52.2	Low	81 Å²	81	140.3 Å²	140.3	49%	0.491	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-68.8	131.4	175.8	-179.7	0	0	0	0	108.2	T221 D225 F227	T221-V223 PolarHBondContact O-N 2.98Å; V223-D225 PolarHBondContact O-N 3.32Å; V223-F227 HydrophobicContact CG1-CB 3.76Å; V223-F227 HydrophobicContact CG1-CG 4.23Å
224	P	56.7	Low	52	Low	92 Å²	92	134.4 Å²	134.4	60%	0.597	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-67.4	132.9	178.7	-18.1	30.9	0	0	0	111.5	S226 F227	P224-S226 PolarHBondContact O-N 2.94Å; P224-S226 PolarHBondContact O-OG 3.42Å; P224-F227 PolarHBondContact O-N 2.88Å
225	D	53.8	Low	52	Low	126 Å²	126	131.3 Å²	131.3	67%	0.674	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	-24.7	-172.4	-59.4	-30.4	0	0	0	115.2	V223 F227 F228 S229	V223-D225 PolarHBondContact O-N 3.32Å; D225-F227 PolarHBondContact O-N 2.85Å; D225-F228 PolarHBondContact O-N 2.77Å; D225-S229 PolarHBondContact O-N 2.87Å; D225-S229 VanDerWaalsContact O-N 3.11Å; D225-S229 PolarHBondContact O-OG 3.2Å; D225-S229 VanDerWaalsContact O-OG 3.09Å
226	S	54.3	Low	51.7	Low	83 Å²	83	132.4 Å²	132.4	58%	0.58	69%	0.685	S	S	*	*	H	α-helix	trans	-49.9	-24.9	169.7	63.5	0	0	0	0	115.7	P224	P224-S226 PolarHBondContact O-N 2.94Å; P224-S226 PolarHBondContact O-OG 3.42Å
227	F	49.2	Very low	51.8	Low	127 Å²	127	128.2 Å²	128.2	56%	0.557	68%	0.681	S	S	*	*	H	α-helix	trans	-73.7	-45.2	176.6	-164.1	-92.1	0	0	0	111.2	V223 P224 D225 S229 K230	V223-F227 HydrophobicContact CG1-CB 3.76Å; V223-F227 HydrophobicContact CG1-CG 4.23Å; P224-F227 PolarHBondContact O-N 2.88Å; D225-F227 PolarHBondContact O-N 2.85Å; F227-S229 VanDerWaalsContact C-N 3.31Å; F227-S229 PolarHBondContact O-N 3.47Å; F227-K230 PolarHBondContact O-N 3.25Å
228	F	53	Low	51.4	Low	134 Å²	134	125.3 Å²	125.3	59%	0.588	67%	0.667	S	S	*	*	H	α-helix	trans	-64	-36.9	174.1	-62	-70.6	0	0	0	111.6	D225 K230 H231 L232	D225-F228 PolarHBondContact O-N 2.77Å; F228-K230 PolarHBondContact O-N 3.31Å; F228-K230 VanDerWaalsContact O-N 3.12Å; F228-H231 PolarHBondContact O-N 2.89Å; F228-L232 PolarHBondContact O-N 3.03Å
229	S	54.4	Low	51.5	Low	69 Å²	69	124.8 Å²	124.8	48%	0.483	68%	0.675	S	S	.	*	H	α-helix	trans	-56.8	-28.5	177.4	-47.5	0	0	0	0	114.1	D225 F227	D225-S229 PolarHBondContact O-N 2.87Å; D225-S229 VanDerWaalsContact O-N 3.11Å; D225-S229 PolarHBondContact O-OG 3.2Å; D225-S229 VanDerWaalsContact O-OG 3.09Å; F227-S229 VanDerWaalsContact C-N 3.31Å; F227-S229 PolarHBondContact O-N 3.47Å
230	K	48.8	Very low	51.2	Low	158 Å²	158	120 Å²	120	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-83.5	-35.8	177.6	-86.1	-174.2	172.4	-178.3	0	113.9	F227 F228	F227-K230 PolarHBondContact O-N 3.25Å; F228-K230 PolarHBondContact O-N 3.31Å; F228-K230 VanDerWaalsContact O-N 3.12Å
231	H	46.5	Very low	50.3	Low	129 Å²	129	119.4 Å²	119.4	60%	0.597	67%	0.669	S	S	*	*	H	α-helix	trans	-78.5	-26.5	176.7	-85.7	-18.3	0	0	0	113.2	F228 Q233 S234	F228-H231 PolarHBondContact O-N 2.89Å; H231-Q233 PolarHBondContact O-N 2.99Å; H231-S234 PolarHBondContact O-N 3.25Å; H231-S234 VanDerWaalsContact O-N 3.16Å; H231-S234 PolarHBondContact O-OG 2.93Å
232	L	49.9	Very low	49	Very low	158 Å²	158	119.3 Å²	119.3	83%	0.827	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-23.2	172.1	-146.2	78.3	0	0	0	112.8	F228	F228-L232 PolarHBondContact O-N 3.03Å
233	Q	51.4	Low	48.1	Very low	172 Å²	172	117.8 Å²	117.8	80%	0.804	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-17.4	176.6	-71.8	-175.4	-20.5	0	0	114.2	H231	H231-Q233 PolarHBondContact O-N 2.99Å
234	S	48.5	Very low	47.3	Very low	62 Å²	62	121.2 Å²	121.2	43%	0.434	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-11.7	-173.8	54	0	0	0	0	114.9	H231 E236	H231-S234 PolarHBondContact O-N 3.25Å; H231-S234 VanDerWaalsContact O-N 3.16Å; H231-S234 PolarHBondContact O-OG 2.93Å; S234-E236 PolarHBondContact O-N 2.88Å
235	G	51.1	Low	46.5	Very low	69 Å²	69	125.6 Å²	125.6	71%	0.711	68%	0.682	S	S	*	*			trans	63.6	0.8	166.3	0	0	0	0	0	117.7	N237	G235-N237 PolarHBondContact O-N 3.14Å
236	E	42	Very low	45.8	Very low	140 Å²	140	123 Å²	123	65%	0.654	68%	0.684	S	S	*	*			trans	-81	105.7	-177.7	-82.5	179.4	168.8	0	0	112.4	S234 H238	S234-E236 PolarHBondContact O-N 2.88Å; E236-H238 VanDerWaalsContact C-N 3.27Å; E236-H238 PolarHBondContact O-N 2.64Å; E236-H238 IonicContact OE2-CD2 2.85Å; E236-H238 IonicContact OE2-NE2 3.9Å
237	N	50.8	Low	44.9	Very low	159 Å²	159	125.5 Å²	125.5	85%	0.85	70%	0.695	S	S	*	*			trans	-77.4	74.3	168.5	-80.8	-22.2	0	0	0	111.2	G235	G235-N237 PolarHBondContact O-N 3.14Å
238	H	39	Very low	44	Very low	131 Å²	131	124.6 Å²	124.6	61%	0.606	71%	0.705	S	S	*	*			trans	-100.9	98.2	167.8	-65.1	-49.2	0	0	0	110.6	E236 S240	E236-H238 VanDerWaalsContact C-N 3.27Å; E236-H238 PolarHBondContact O-N 2.64Å; E236-H238 IonicContact OE2-CD2 2.85Å; E236-H238 IonicContact OE2-NE2 3.9Å; H238-S240 PolarHBondContact O-N 3.19Å
239	T	48.6	Very low	42.8	Very low	152 Å²	152	125.9 Å²	125.9	93%	0.933	72%	0.716	S	S	*	*			trans	-81.1	17.4	173.1	47.6	0	0	0	0	113.6
240	S	43.2	Very low	41.7	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	74%	0.738	S	S	*	*			trans	-147.9	124.5	176.8	58.5	0	0	0	0	111	H238	H238-S240 PolarHBondContact O-N 3.19Å
241	V	36.1	Very low	40.7	Very low	139 Å²	139	131 Å²	131	84%	0.842	74%	0.743	S	S	*	*			trans	-92.3	109.7	170.2	-179.7	0	0	0	0	108.7	P243	V241-P243 WeakPolarHBondContact O-CD 3.31Å
242	D	35	Very low	40	Very low	107 Å²	107	132.7 Å²	132.7	57%	0.572	76%	0.757	S	S	*	*			trans	-77.2	118	169.6	-172.7	-8.1	0	0	0	109.7	L244	D242-L244 PolarHBondContact O-N 3.45Å; D242-L244 VanDerWaalsContact O-N 3.11Å; D242-L244 PolarHBondContact OD1-N 3.03Å
243	P	40.4	Very low	39	Very low	92 Å²	92	131.4 Å²	131.4	60%	0.597	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-0.6	-172.5	-19	33.5	0	0	0	116.2	V241	V241-P243 WeakPolarHBondContact O-CD 3.31Å
244	L	40.4	Very low	38.1	Very low	153 Å²	153	132 Å²	132	80%	0.801	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-8.6	-167.7	-90.1	160.1	0	0	0	116.7	D242 G246	D242-L244 PolarHBondContact O-N 3.45Å; D242-L244 VanDerWaalsContact O-N 3.11Å; D242-L244 PolarHBondContact OD1-N 3.03Å; L244-G246 VanDerWaalsContact C-N 3.34Å; L244-G246 PolarHBondContact O-N 3.37Å
245	Q	40.1	Very low	37.1	Very low	185 Å²	185	138.6 Å²	138.6	86%	0.864	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	3.6	177.3	-76.9	-170.9	-13	0	0	115.1	V247	Q245-V247 PolarHBondContact O-N 2.98Å
246	G	39.3	Very low	36	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	-172.2	0	0	0	0	0	117.3	L244	L244-G246 VanDerWaalsContact C-N 3.34Å; L244-G246 PolarHBondContact O-N 3.37Å
247	V	34.8	Very low	35.2	Very low	136 Å²	136	140.5 Å²	140.5	82%	0.824	79%	0.794	S	S	*	*	S	Bend	trans	-134.8	64.8	-169.7	-164.1	0	0	0	0	113	Q245	Q245-V247 PolarHBondContact O-N 2.98Å
248	S	30.5	Very low	34	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	79%	0.794	S	S	*	*			trans	-167.2	105.5	148.1	-87.8	0	0	0	0	111.1
249	I	28.9	Very low	33.5	Very low	160 Å²	160	138.2 Å²	138.2	82%	0.821	81%	0.805	S	S	*	*			trans	176.2	88.7	139.7	-84.9	147.2	0	0	0	105.9
250	Y	30.2	Very low	32.5	Very low	237 Å²	237	138.6 Å²	138.6	93%	0.929	80%	0.801	S	S	*	*	S	Bend	trans	-169	57	153.1	-95.6	-56.5	0	0	0	110.7
251	A	28.8	Very low	31.8	Very low	98 Å²	98	139.9 Å²	139.9	81%	0.81	81%	0.805	S	S	*	*			trans	-168.1	82.3	159.7	0	0	0	0	0	109.3
252	N	30.2	Very low	31.7	Very low	164 Å²	164	138.7 Å²	138.7	88%	0.877	80%	0.801	S	S	*	*			trans	-129.7	89.3	169.8	-151.3	2.7	0	0	0	110.2
253	T	30.4	Very low	31.2	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	82%	0.816	S	S	*	*			trans	-137.1	103.8	172.3	47.3	0	0	0	0	109.7
254	H	32.6	Very low	31.2	Very low	184 Å²	184	145 Å²	145	85%	0.852	82%	0.819	S	S	*	*			trans	5.2	123.5	163.7	-67.8	-88.7	0	0	0	120.8
255	K	27.3	Very low	30.5	Very low	200 Å²	200	141.4 Å²	141.4	87%	0.87	82%	0.819	S	S	*	*				179.3	109.2	125.8	-96.4	163.4	-177.5	-175.3	0	106.9
256	L	27.1	Very low	29.9	Very low	175 Å²	175	137.4 Å²	137.4	92%	0.916	81%	0.811	S	S	*	*				57.2	111.2	73.3	-159.7	83.8	0	0	0	114
257	G	25.8	Very low	29.4	Very low	75 Å²	75	141.4 Å²	141.4	77%	0.773	81%	0.813	S	S	*	*			trans	88.1	84.1	148.8	0	0	0	0	0	118
258	G	26	Very low	29.1	Very low	81 Å²	81	140.3 Å²	140.3	84%	0.835	81%	0.807	S	S	*	*			trans	-111.7	108	152.7	0	0	0	0	0	108.9
259	L	28.4	Very low	29.4	Very low	161 Å²	161	141.4 Å²	141.4	84%	0.843	81%	0.812	S	S	*	*			trans	-62	145.4	178.9	-95.2	69.5	0	0	0	111.1
260	N	27.4	Very low	29.6	Very low	160 Å²	160	136.6 Å²	136.6	86%	0.856	80%	0.802	S	S	*	*			trans	-131.8	105.2	158	-132.4	3.3	0	0	0	109.4
261	T	26.8	Very low	30.1	Very low	120 Å²	120	133 Å²	133	74%	0.736	80%	0.798	S	S	*	*			trans	166.2	152.7	161.8	25.9	0	0	0	0	107.2
262	P	34.3	Very low	30.4	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	80%	0.798	S	S	*	*			cis	-134.4	132.5	16.5	36	-16.5	0	0	0	116.8
263	Y	26	Very low	30.5	Very low	227 Å²	227	134.2 Å²	134.2	89%	0.89	79%	0.792	S	S	*	*			trans	63.1	174.6	142.2	-120.8	-129.9	0	0	0	117.1
264	P	40.1	Very low	31.1	Very low	104 Å²	104	133.8 Å²	133.8	68%	0.675	79%	0.791	S	S	*	*				-139.8	-176.7	-116.2	37.2	-13.3	0	0	0	116
265	G	25.8	Very low	31.6	Very low	77 Å²	77	128 Å²	128	79%	0.794	78%	0.782	S	S	*	*			trans	114.4	155.5	164.6	0	0	0	0	0	113.5
266	S	27.2	Very low	32.4	Very low	101 Å²	101	126 Å²	126	71%	0.706	79%	0.786	S	S	*	*			cis	-165.7	177.3	-7.9	-171	0	0	0	0	108.5
267	M	28.1	Very low	33.3	Very low	154 Å²	154	121.5 Å²	121.5	76%	0.759	78%	0.783	S	S	*	*			trans	77.7	129.6	176.9	-46.2	-77.5	92.1	0	0	115.2
268	T	28.8	Very low	34.2	Very low	114 Å²	114	127.6 Å²	127.6	70%	0.699	79%	0.791	S	S	*	*			cis	-162.7	139	-15	6.8	0	0	0	0	107.6
269	P	37.1	Very low	35.6	Very low	131 Å²	131	129.4 Å²	129.4	85%	0.851	78%	0.781	S	S	*	*				-128.5	127	129.7	3.2	17.9	0	0	0	111.3
270	G	32.3	Very low	37.1	Very low	60 Å²	60	125.2 Å²	125.2	62%	0.619	76%	0.759	S	S	*	*			trans	-72.4	157.3	158.3	0	0	0	0	0	110.2
271	L	41.5	Very low	39	Very low	161 Å²	161	124.5 Å²	124.5	84%	0.843	75%	0.753	S	S	*	*			cis	-157	148.4	9.6	-150	76.3	0	0	0	111.2
272	M	34.1	Very low	41.1	Very low	164 Å²	164	128.7 Å²	128.7	81%	0.808	76%	0.755	S	S	*	*			trans	85	130.2	159.8	-45.4	-159.7	74.8	0	0	120.9
273	T	34	Very low	42.8	Very low	124 Å²	124	129.9 Å²	129.9	76%	0.761	75%	0.748	S	S	*	*			trans	-49	169	165.8	19	0	0	0	0	115.4
274	P	42.8	Very low	45.3	Very low	122 Å²	122	122.2 Å²	122.2	79%	0.792	72%	0.722	S	S	*	*			cis	-150.7	109.9	40.4	37.7	-13.2	0	0	0	119.1
275	G	41.5	Very low	47.3	Very low	63 Å²	63	119.1 Å²	119.1	65%	0.649	71%	0.709	S	S	*	*			trans	70.6	164.9	146.7	0	0	0	0	0	120
276	T	45	Very low	50	Low	158 Å²	158	121.5 Å²	121.5	97%	0.969	70%	0.7	S	S	*	*			trans	68.6	148.3	179.5	70.5	0	0	0	0	115.9
277	G	46.5	Very low	52.5	Low	81 Å²	81	119.4 Å²	119.4	84%	0.835	69%	0.688	S	S	*	*			trans	-118	169.5	-154.3	0	0	0	0	0	116.5
278	E	45.3	Very low	55.2	Low	203 Å²	203	120.7 Å²	120.7	95%	0.949	69%	0.685	S	S	*	*			trans	-109.3	134.6	-177.3	-166.8	173.8	-170.4	0	0	111.5
279	L	55.3	Low	58	Low	118 Å²	118	120.4 Å²	120.4	62%	0.618	68%	0.679	S	S	*	*			trans	-110.9	120.4	-169.2	-171.1	75.9	0	0	0	110.9	M281 I284	L279-M281 PolarHBondContact O-N 3.37Å; L279-I284 HydrophobicContact CD1-CD1 3.89Å; L279-I284 HydrophobicContact CD2-CD1 3.65Å; L279-I284 HydrophobicContact CG-CD1 3.78Å
280	D	59.6	Low	60.4	Low	74 Å²	74	118.5 Å²	118.5	40%	0.396	67%	0.665	S	S	.	*			trans	-70.8	88.2	177.7	-173.4	-16.3	0	0	0	111.7	R282 K283 I284	D280-R282 PolarHBondContact O-N 2.91Å; D280-R282 WeakPolarHBondContact OD1-CB 3.31Å; D280-R282 PolarHBondContact OD1-N 3.03Å; D280-R282 VanDerWaalsContact OD1-N 3.1Å; D280-K283 HydrophobicContact CB-CB 4.37Å; D280-K283 HydrophobicContact CB-CD 4.48Å; D280-K283 PolarHBondContact O-N 2.99Å; D280-K283 PolarHBondContact OD1-N 3.5Å; D280-K283 VanDerWaalsContact OD1-N 3.15Å; D280-K283 VanDerWaalsContact OD2-CD 3.31Å; D280-K283 WeakPolarHBondContact OD2-CD 3.31Å; D280-K283 WeakPolarHBondContact OD2-CE 3.36Å; D280-K283 VanDerWaalsContact OD2-CG 3.31Å; D280-K283 WeakPolarHBondContact OD2-CG 3.41Å; D280-K283 IonicContact OD2-NZ 2.87Å; D280-K283 PolarHBondContact OD2-NZ 2.98Å; D280-I284 PolarHBondContact O-N 3.26Å; D280-I284 VanDerWaalsContact O-N 3.17Å
281	M	66.8	Low	62.9	Low	145 Å²	145	119.6 Å²	119.6	71%	0.714	66%	0.656	S	S	*	*	H	α-helix	trans	-61.5	-23.1	-179.4	-68.8	-97.7	-88.9	0	0	113.1	L279 G285	L279-M281 PolarHBondContact O-N 3.37Å; M281-G285 PolarHBondContact O-N 3.45Å
282	R	71.8	Confident	65.1	Low	208 Å²	208	117.4 Å²	117.4	79%	0.785	64%	0.643	S	S	*	*	H	α-helix	trans	-74.4	-42.8	176.6	-69.3	-176.8	174.9	-175.8	-1.1	111.2	D280 G285 Q286	D280-R282 PolarHBondContact O-N 2.91Å; D280-R282 WeakPolarHBondContact OD1-CB 3.31Å; D280-R282 PolarHBondContact OD1-N 3.03Å; D280-R282 VanDerWaalsContact OD1-N 3.1Å; R282-G285 PolarHBondContact O-N 2.76Å; R282-Q286 WeakPolarHBondContact O-CB 3.41Å; R282-Q286 WeakPolarHBondContact O-CG 3.43Å; R282-Q286 PolarHBondContact O-N 3.45Å
283	K	70	Confident	67.7	Low	139 Å²	139	114.5 Å²	114.5	60%	0.604	63%	0.631	S	S	*	*	H	α-helix	trans	-64.8	-39.1	173.8	-73.3	-175.5	-172.9	109.5	0	112.1	D280 Q286 A287	D280-K283 HydrophobicContact CB-CB 4.37Å; D280-K283 HydrophobicContact CB-CD 4.48Å; D280-K283 PolarHBondContact O-N 2.99Å; D280-K283 PolarHBondContact OD1-N 3.5Å; D280-K283 VanDerWaalsContact OD1-N 3.15Å; D280-K283 VanDerWaalsContact OD2-CD 3.31Å; D280-K283 WeakPolarHBondContact OD2-CD 3.31Å; D280-K283 WeakPolarHBondContact OD2-CE 3.36Å; D280-K283 VanDerWaalsContact OD2-CG 3.31Å; D280-K283 WeakPolarHBondContact OD2-CG 3.41Å; D280-K283 IonicContact OD2-NZ 2.87Å; D280-K283 PolarHBondContact OD2-NZ 2.98Å; K283-Q286 PolarHBondContact O-N 3.2Å; K283-A287 WeakPolarHBondContact O-CB 3.36Å; K283-A287 PolarHBondContact O-N 3.06Å
284	I	76.7	Confident	70.2	Confident	65 Å²	65	112.9 Å²	112.9	33%	0.333	62%	0.615	S	S	.	*	H	α-helix	trans	-63.7	-41.8	172.1	-82.2	175.4	0	0	0	111.7	L279 D280 R288	L279-I284 HydrophobicContact CD1-CD1 3.89Å; L279-I284 HydrophobicContact CD2-CD1 3.65Å; L279-I284 HydrophobicContact CG-CD1 3.78Å; D280-I284 PolarHBondContact O-N 3.26Å; D280-I284 VanDerWaalsContact O-N 3.17Å; I284-R288 VanDerWaalsContact O-CB 3.3Å; I284-R288 WeakPolarHBondContact O-CB 3.42Å; I284-R288 WeakPolarHBondContact O-CG 3.36Å; I284-R288 PolarHBondContact O-N 2.8Å
285	G	82.1	Confident	72.4	Confident	39 Å²	39	115 Å²	115	40%	0.402	61%	0.607	S	S	.	*	H	α-helix	trans	-62.1	-46.8	175.3	0	0	0	0	0	112.6	M281 R282 R288 N289	M281-G285 PolarHBondContact O-N 3.45Å; R282-G285 PolarHBondContact O-N 2.76Å; G285-R288 PolarHBondContact O-N 3.46Å; G285-N289 WeakPolarHBondContact O-CB 3.32Å; G285-N289 PolarHBondContact O-N 3.03Å
286	Q	84	Confident	74.5	Confident	128 Å²	128	116.5 Å²	116.5	60%	0.598	60%	0.6	S	S	*	*	H	α-helix	trans	-65.8	-45.1	177.6	-72.6	170.4	-14.1	0	0	112.1	R282 K283 R288 N289 T290	R282-Q286 WeakPolarHBondContact O-CB 3.41Å; R282-Q286 WeakPolarHBondContact O-CG 3.43Å; R282-Q286 PolarHBondContact O-N 3.45Å; K283-Q286 PolarHBondContact O-N 3.2Å; Q286-R288 VanDerWaalsContact C-N 3.35Å; Q286-R288 PolarHBondContact O-N 3.06Å; Q286-N289 PolarHBondContact O-N 3.42Å; Q286-N289 VanDerWaalsContact O-N 3.16Å; Q286-T290 PolarHBondContact O-N 3.03Å; Q286-T290 PolarHBondContact O-OG1 2.73Å; Q286-T290 VanDerWaalsContact O-OG1 3.06Å
287	A	80.1	Confident	76.4	Confident	56 Å²	56	111.3 Å²	111.3	46%	0.463	57%	0.571	S	S	.	*	H	α-helix	trans	-63.5	-38.6	176.5	0	0	0	0	0	112.2	K283 T290 L291	K283-A287 WeakPolarHBondContact O-CB 3.36Å; K283-A287 PolarHBondContact O-N 3.06Å; A287-T290 WeakPolarHBondContact CA-OG1 3.22Å; A287-T290 PolarHBondContact O-OG1 3.32Å; A287-T290 VanDerWaalsContact O-OG1 3.07Å; A287-L291 WeakPolarHBondContact O-CB 3.46Å; A287-L291 PolarHBondContact O-N 3.43Å
288	R	83.3	Confident	78.2	Confident	182 Å²	182	112.8 Å²	112.8	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-67.4	-38.8	171.6	-83.4	-177.5	162.4	158.5	-3.9	112.4	I284 G285 Q286 L291 M292	I284-R288 VanDerWaalsContact O-CB 3.3Å; I284-R288 WeakPolarHBondContact O-CB 3.42Å; I284-R288 WeakPolarHBondContact O-CG 3.36Å; I284-R288 PolarHBondContact O-N 2.8Å; G285-R288 PolarHBondContact O-N 3.46Å; Q286-R288 VanDerWaalsContact C-N 3.35Å; Q286-R288 PolarHBondContact O-N 3.06Å; R288-L291 PolarHBondContact O-N 3.5Å; R288-M292 VanDerWaalsContact O-CB 3.23Å; R288-M292 WeakPolarHBondContact O-CB 3.47Å; R288-M292 PolarHBondContact O-N 2.73Å
289	N	87.4	Confident	80	Confident	108 Å²	108	107.6 Å²	107.6	58%	0.578	54%	0.538	S	S	*	.	H	α-helix	trans	-66.4	-45.2	177.5	-162	15.9	0	0	0	110.9	G285 Q286 L291 M292 D293	G285-N289 WeakPolarHBondContact O-CB 3.32Å; G285-N289 PolarHBondContact O-N 3.03Å; Q286-N289 PolarHBondContact O-N 3.42Å; Q286-N289 VanDerWaalsContact O-N 3.16Å; N289-L291 PolarHBondContact O-N 3.18Å; N289-M292 WeakPolarHBondContact O-CB 3.29Å; N289-M292 PolarHBondContact O-N 2.96Å; N289-D293 VanDerWaalsContact O-CB 3.31Å; N289-D293 WeakPolarHBondContact O-CB 3.49Å; N289-D293 PolarHBondContact O-N 3.12Å
290	T	87.9	Confident	81.2	Confident	91 Å²	91	103.8 Å²	103.8	56%	0.558	52%	0.521	S	S	*	.	H	α-helix	trans	-67.6	-31.9	174.5	52.5	0	0	0	0	113.2	Q286 A287 M294	Q286-T290 PolarHBondContact O-N 3.03Å; Q286-T290 PolarHBondContact O-OG1 2.73Å; Q286-T290 VanDerWaalsContact O-OG1 3.06Å; A287-T290 WeakPolarHBondContact CA-OG1 3.22Å; A287-T290 PolarHBondContact O-OG1 3.32Å; A287-T290 VanDerWaalsContact O-OG1 3.07Å; T290-M294 WeakPolarHBondContact O-CB 3.14Å; T290-M294 PolarHBondContact O-N 3.19Å
291	L	86.1	Confident	82.2	Confident	82 Å²	82	106.8 Å²	106.8	43%	0.429	54%	0.537	S	S	.	.	H	α-helix	trans	-70.7	-36.3	172.6	179.1	62.8	0	0	0	111.7	A287 R288 N289 M294 R295	A287-L291 WeakPolarHBondContact O-CB 3.46Å; A287-L291 PolarHBondContact O-N 3.43Å; R288-L291 PolarHBondContact O-N 3.5Å; N289-L291 PolarHBondContact O-N 3.18Å; L291-M294 HydrophobicContact CD1-CE 3.7Å; L291-R295 WeakPolarHBondContact O-CG 3.44Å; L291-R295 PolarHBondContact O-N 3.25Å
292	M	87.4	Confident	82.9	Confident	115 Å²	115	104.6 Å²	104.6	57%	0.567	54%	0.536	S	S	*	.	H	α-helix	trans	-66.9	-46.6	173.2	176.6	168.6	169.5	0	0	110.5	R288 N289 M294 R295 L296	R288-M292 VanDerWaalsContact O-CB 3.23Å; R288-M292 WeakPolarHBondContact O-CB 3.47Å; R288-M292 PolarHBondContact O-N 2.73Å; N289-M292 WeakPolarHBondContact O-CB 3.29Å; N289-M292 PolarHBondContact O-N 2.96Å; M292-M294 VanDerWaalsContact C-N 3.35Å; M292-M294 PolarHBondContact O-N 2.94Å; M292-R295 CarbonylContact O-C 3.46Å; M292-R295 PolarHBondContact O-N 3.13Å; M292-R295 VanDerWaalsContact O-N 3.13Å; M292-L296 HydrophobicContact CE-CD1 4Å; M292-L296 HydrophobicContact CG-CD1 3.94Å; M292-L296 HydrophobicContact CG-CG 4.35Å; M292-L296 WeakPolarHBondContact O-CB 3.5Å; M292-L296 VanDerWaalsContact O-CG 3.28Å; M292-L296 WeakPolarHBondContact O-CG 3.27Å; M292-L296 PolarHBondContact O-N 3.06Å
293	D	88.2	Confident	83.5	Confident	104 Å²	104	98.3 Å²	98.3	56%	0.556	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-39.4	176.5	-160.6	27.4	0	0	0	111.6	N289 R295 L296 S297	N289-D293 VanDerWaalsContact O-CB 3.31Å; N289-D293 WeakPolarHBondContact O-CB 3.49Å; N289-D293 PolarHBondContact O-N 3.12Å; D293-R295 PolarHBondContact O-N 2.97Å; D293-L296 PolarHBondContact O-N 3.14Å; D293-S297 WeakPolarHBondContact O-CB 3.22Å; D293-S297 PolarHBondContact O-N 2.97Å; D293-S297 PolarHBondContact O-OG 3.25Å; D293-S297 VanDerWaalsContact O-OG 3.12Å
294	M	87.3	Confident	83.7	Confident	89 Å²	89	97.3 Å²	97.3	44%	0.438	53%	0.531	S	S	.	.	H	α-helix	trans	-65.4	-35	172	-177.6	-111	-76.8	0	0	113.2	T290 L291 M292 S297 Q298	T290-M294 WeakPolarHBondContact O-CB 3.14Å; T290-M294 PolarHBondContact O-N 3.19Å; L291-M294 HydrophobicContact CD1-CE 3.7Å; M292-M294 VanDerWaalsContact C-N 3.35Å; M292-M294 PolarHBondContact O-N 2.94Å; M294-S297 WeakPolarHBondContact CA-OG 3.49Å; M294-S297 PolarHBondContact O-OG 3.27Å; M294-S297 VanDerWaalsContact O-OG 3.07Å; M294-Q298 WeakPolarHBondContact O-CB 3.27Å; M294-Q298 VanDerWaalsContact O-CG 3.27Å; M294-Q298 WeakPolarHBondContact O-CG 3.46Å; M294-Q298 PolarHBondContact O-N 3.03Å
295	R	87.6	Confident	84	Confident	166 Å²	166	97.6 Å²	97.6	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-74.8	-35.6	172.5	-76.5	-172	176.2	-151.8	-0.9	112.3	L291 M292 D293 V299	L291-R295 WeakPolarHBondContact O-CG 3.44Å; L291-R295 PolarHBondContact O-N 3.25Å; M292-R295 CarbonylContact O-C 3.46Å; M292-R295 PolarHBondContact O-N 3.13Å; M292-R295 VanDerWaalsContact O-N 3.13Å; D293-R295 PolarHBondContact O-N 2.97Å; R295-V299 WeakPolarHBondContact O-CG2 3.33Å; R295-V299 PolarHBondContact O-N 3.35Å
296	L	86	Confident	83.9	Confident	95 Å²	95	101.1 Å²	101.1	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-66.5	-41.1	174.9	-73.8	171.5	0	0	0	110.5	M292 D293 V299 S300	M292-L296 HydrophobicContact CE-CD1 4Å; M292-L296 HydrophobicContact CG-CD1 3.94Å; M292-L296 HydrophobicContact CG-CG 4.35Å; M292-L296 WeakPolarHBondContact O-CB 3.5Å; M292-L296 VanDerWaalsContact O-CG 3.28Å; M292-L296 WeakPolarHBondContact O-CG 3.27Å; M292-L296 PolarHBondContact O-N 3.06Å; D293-L296 PolarHBondContact O-N 3.14Å; L296-V299 CarbonylContact O-C 3.52Å; L296-V299 PolarHBondContact O-N 3.49Å; L296-S300 VanDerWaalsContact O-CB 3.23Å; L296-S300 WeakPolarHBondContact O-CB 3Å; L296-S300 PolarHBondContact O-N 2.88Å
297	S	84.3	Confident	83.9	Confident	50 Å²	50	101.8 Å²	101.8	35%	0.35	57%	0.569	S	S	.	*	H	α-helix	trans	-68	-41.3	174	61.8	0	0	0	0	112.4	D293 M294 V299 S300 D301	D293-S297 WeakPolarHBondContact O-CB 3.22Å; D293-S297 PolarHBondContact O-N 2.97Å; D293-S297 PolarHBondContact O-OG 3.25Å; D293-S297 VanDerWaalsContact O-OG 3.12Å; M294-S297 WeakPolarHBondContact CA-OG 3.49Å; M294-S297 PolarHBondContact O-OG 3.27Å; M294-S297 VanDerWaalsContact O-OG 3.07Å; S297-V299 VanDerWaalsContact C-N 3.26Å; S297-V299 PolarHBondContact O-N 2.93Å; S297-S300 CarbonylContact O-C 3.59Å; S297-S300 WeakPolarHBondContact O-CA 3.45Å; S297-S300 WeakPolarHBondContact O-CB 3.25Å; S297-S300 PolarHBondContact O-N 3.27Å; S297-D301 WeakPolarHBondContact O-CB 3.36Å; S297-D301 PolarHBondContact O-N 2.94Å
298	Q	85.3	Confident	84.1	Confident	112 Å²	112	105.7 Å²	105.7	52%	0.523	59%	0.587	S	S	.	*	H	α-helix	trans	-57.3	-37.8	171.2	-78.7	175.6	-9.9	0	0	113.2	M294 S302	M294-Q298 WeakPolarHBondContact O-CB 3.27Å; M294-Q298 VanDerWaalsContact O-CG 3.27Å; M294-Q298 WeakPolarHBondContact O-CG 3.46Å; M294-Q298 PolarHBondContact O-N 3.03Å; Q298-S302 PolarHBondContact O-OG 2.77Å
299	V	82.9	Confident	84.3	Confident	94 Å²	94	101.3 Å²	101.3	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-72.4	-39.6	172.4	172.8	0	0	0	0	110.8	R295 L296 S297 S302 V303	R295-V299 WeakPolarHBondContact O-CG2 3.33Å; R295-V299 PolarHBondContact O-N 3.35Å; L296-V299 CarbonylContact O-C 3.52Å; L296-V299 PolarHBondContact O-N 3.49Å; S297-V299 VanDerWaalsContact C-N 3.26Å; S297-V299 PolarHBondContact O-N 2.93Å; V299-S302 WeakPolarHBondContact O-CA 3.49Å; V299-S302 WeakPolarHBondContact O-CB 3.25Å; V299-S302 PolarHBondContact O-N 3.45Å; V299-S302 VanDerWaalsContact O-N 3.13Å; V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 2.86Å
300	S	80.6	Confident	84.4	Confident	37 Å²	37	100.5 Å²	100.5	26%	0.259	58%	0.576	S	S	.	*	H	α-helix	trans	-63	-43.4	179.2	-158.5	0	0	0	0	112.7	L296 S297 S302 V303 Q306	L296-S300 VanDerWaalsContact O-CB 3.23Å; L296-S300 WeakPolarHBondContact O-CB 3Å; L296-S300 PolarHBondContact O-N 2.88Å; S297-S300 CarbonylContact O-C 3.59Å; S297-S300 WeakPolarHBondContact O-CA 3.45Å; S297-S300 WeakPolarHBondContact O-CB 3.25Å; S297-S300 PolarHBondContact O-N 3.27Å; S300-S302 PolarHBondContact O-N 3.47Å; S300-V303 WeakPolarHBondContact O-CA 3.5Å; S300-V303 PolarHBondContact O-N 2.87Å; S300-Q306 VanDerWaalsContact OG-CD 3.29Å; S300-Q306 PolarHBondContact OG-NE2 3.31Å; S300-Q306 PolarHBondContact OG-OE1 3.46Å
301	D	80.9	Confident	84.6	Confident	137 Å²	137	100.3 Å²	100.3	73%	0.733	58%	0.576	S	S	*	*	H	α-helix	trans	-62.1	-26	175.2	-67.3	-16.6	0	0	0	111.6	S297	S297-D301 WeakPolarHBondContact O-CB 3.36Å; S297-D301 PolarHBondContact O-N 2.94Å
302	S	82.1	Confident	84.8	Confident	99 Å²	99	103.9 Å²	103.9	69%	0.692	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-12.9	173.9	-52.7	0	0	0	0	113.2	Q298 V299 S300 S304	Q298-S302 PolarHBondContact O-OG 2.77Å; V299-S302 WeakPolarHBondContact O-CA 3.49Å; V299-S302 WeakPolarHBondContact O-CB 3.25Å; V299-S302 PolarHBondContact O-N 3.45Å; V299-S302 VanDerWaalsContact O-N 3.13Å; S300-S302 PolarHBondContact O-N 3.47Å; S302-S304 PolarHBondContact O-N 2.72Å
303	V	82.8	Confident	85	Confident	76 Å²	76	99.5 Å²	99.5	46%	0.461	57%	0.573	S	S	.	*			trans	-93.4	85.3	178	178	0	0	0	0	109.5	V299 S300 Q306	V299-V303 WeakPolarHBondContact O-CG2 3.41Å; V299-V303 PolarHBondContact O-N 2.86Å; S300-V303 WeakPolarHBondContact O-CA 3.5Å; S300-V303 PolarHBondContact O-N 2.87Å; V303-Q306 HydrophobicContact CG1-CG 4.07Å
304	S	75.3	Confident	85.2	Confident	118 Å²	118	100.7 Å²	100.7	83%	0.825	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	136.8	169.7	61.2	0	0	0	0	111.4	S302	S302-S304 PolarHBondContact O-N 2.72Å
305	G	82.7	Confident	85.4	Confident	72 Å²	72	101.3 Å²	101.3	74%	0.742	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.7	5	177.4	0	0	0	0	0	115.2	T307	G305-T307 PolarHBondContact O-N 3.12Å
306	Q	79.3	Confident	85.7	Confident	112 Å²	112	96.9 Å²	96.9	52%	0.523	57%	0.566	S	S	.	*			trans	-66.1	119.1	168.5	-65.7	-176.5	-3.7	0	0	110.8	S300 V303 V308	S300-Q306 VanDerWaalsContact OG-CD 3.29Å; S300-Q306 PolarHBondContact OG-NE2 3.31Å; S300-Q306 PolarHBondContact OG-OE1 3.46Å; V303-Q306 HydrophobicContact CG1-CG 4.07Å; Q306-V308 PolarHBondContact O-N 2.99Å
307	T	84.3	Confident	86	Confident	143 Å²	143	97.4 Å²	97.4	88%	0.877	57%	0.57	S	S	*	*			trans	-90.4	98.4	179.1	57.3	0	0	0	0	110.8	G305	G305-T307 PolarHBondContact O-N 3.12Å
308	V	85.4	Confident	86.3	Confident	138 Å²	138	98.1 Å²	98.1	84%	0.836	57%	0.569	S	S	*	*			trans	-101.8	124.2	163.1	62.5	0	0	0	0	108.9	Q306	Q306-V308 PolarHBondContact O-N 2.99Å
309	V	86.8	Confident	86.5	Confident	89 Å²	89	97.8 Å²	97.8	54%	0.539	57%	0.571	S	S	.	*			trans	-84.8	142.8	170.3	86.3	0	0	0	0	108.4	P311 Y314	V309-P311 WeakPolarHBondContact O-CD 3.1Å; V309-P311 VanDerWaalsContact O-N 3.16Å; V309-Y314 HydrophobicContact CG1-CD2 4.28Å; V309-Y314 HydrophobicContact CG1-CG 4.13Å; V309-Y314 HydrophobicContact CG2-CD2 4Å; V309-Y314 HydrophobicContact CG2-CG 4.46Å
310	D	90.4	Very high	86.8	Confident	91 Å²	91	97.8 Å²	97.8	49%	0.487	58%	0.575	S	S	.	*			trans	-64.6	114.5	168.5	170.8	21.8	0	0	0	108.3	K312 G313 Y314	D310-K312 PolarHBondContact O-N 3.43Å; D310-K312 WeakPolarHBondContact OD1-CB 3.3Å; D310-K312 PolarHBondContact OD1-N 3.46Å; D310-G313 VanDerWaalsContact CG-N 3.3Å; D310-G313 PolarHBondContact O-N 3.26Å; D310-G313 PolarHBondContact OD2-N 2.99Å; D310-Y314 WeakPolarHBondContact O-CB 3.21Å; D310-Y314 PolarHBondContact O-N 3.36Å
311	P	90.8	Very high	87	Confident	88 Å²	88	102.5 Å²	102.5	57%	0.571	59%	0.594	S	S	*	*	H	α-helix	trans	-62.6	-26.7	-179.8	26.9	-35.2	0	0	0	111.7	V309 L315	V309-P311 WeakPolarHBondContact O-CD 3.1Å; V309-P311 VanDerWaalsContact O-N 3.16Å; P311-L315 VanDerWaalsContact O-CB 3.26Å; P311-L315 WeakPolarHBondContact O-CB 3.19Å; P311-L315 WeakPolarHBondContact O-CD1 3.23Å; P311-L315 WeakPolarHBondContact O-CG 3.49Å; P311-L315 PolarHBondContact O-N 2.78Å
312	K	90.1	Very high	87.2	Confident	157 Å²	157	100.8 Å²	100.8	68%	0.683	58%	0.584	S	S	*	*	H	α-helix	trans	-74.6	-47.3	177.9	-173.8	-173.8	174.9	-170.9	0	111.4	D310 L315 T316	D310-K312 PolarHBondContact O-N 3.43Å; D310-K312 WeakPolarHBondContact OD1-CB 3.3Å; D310-K312 PolarHBondContact OD1-N 3.46Å; K312-L315 PolarHBondContact O-N 2.84Å; K312-T316 WeakPolarHBondContact O-CB 3.45Å; K312-T316 PolarHBondContact O-N 3.12Å; K312-T316 PolarHBondContact O-OG1 2.86Å
313	G	91.6	Very high	86.9	Confident	23 Å²	23	100.4 Å²	100.4	24%	0.237	58%	0.579	C	S	.	*	H	α-helix	trans	-55.4	-52.8	170.7	0	0	0	0	0	111.2	D310 L315 T316 D317	D310-G313 VanDerWaalsContact CG-N 3.3Å; D310-G313 PolarHBondContact O-N 3.26Å; D310-G313 PolarHBondContact OD2-N 2.99Å; G313-L315 PolarHBondContact O-N 3.38Å; G313-T316 CarbonylContact O-C 3.59Å; G313-T316 WeakPolarHBondContact O-CA 3.4Å; G313-T316 WeakPolarHBondContact O-CB 3.4Å; G313-T316 PolarHBondContact O-N 3.49Å; G313-D317 PolarHBondContact O-N 3.34Å
314	Y	93.1	Very high	86.7	Confident	129 Å²	129	102.9 Å²	102.9	51%	0.506	60%	0.595	S	S	.	*	H	α-helix	trans	-60.2	-41.2	-179.9	-164.2	-100.2	0	0	0	113.1	V309 D310 T316 D317 L318	V309-Y314 HydrophobicContact CG1-CD2 4.28Å; V309-Y314 HydrophobicContact CG1-CG 4.13Å; V309-Y314 HydrophobicContact CG2-CD2 4Å; V309-Y314 HydrophobicContact CG2-CG 4.46Å; D310-Y314 WeakPolarHBondContact O-CB 3.21Å; D310-Y314 PolarHBondContact O-N 3.36Å; Y314-T316 VanDerWaalsContact C-N 3.32Å; Y314-T316 PolarHBondContact O-N 2.94Å; Y314-D317 PolarHBondContact O-N 3.43Å; Y314-L318 HydrophobicContact CD1-CD1 3.75Å; Y314-L318 HydrophobicContact CD1-CG 4.12Å; Y314-L318 HydrophobicContact CE1-CD1 3.65Å; Y314-L318 HydrophobicContact CE1-CD2 4.35Å; Y314-L318 HydrophobicContact CE1-CG 3.99Å; Y314-L318 WeakPolarHBondContact O-CB 3.46Å; Y314-L318 VanDerWaalsContact O-CG 3.28Å; Y314-L318 WeakPolarHBondContact O-CG 3.39Å; Y314-L318 PolarHBondContact O-N 3.06Å
315	L	92.4	Very high	86.6	Confident	101 Å²	101	106.8 Å²	106.8	53%	0.529	59%	0.593	S	S	.	*	H	α-helix	trans	-67.5	-30.7	172.5	-73.9	169.5	0	0	0	112.8	P311 K312 G313 L318 N319	P311-L315 VanDerWaalsContact O-CB 3.26Å; P311-L315 WeakPolarHBondContact O-CB 3.19Å; P311-L315 WeakPolarHBondContact O-CD1 3.23Å; P311-L315 WeakPolarHBondContact O-CG 3.49Å; P311-L315 PolarHBondContact O-N 2.78Å; K312-L315 PolarHBondContact O-N 2.84Å; G313-L315 PolarHBondContact O-N 3.38Å; L315-L318 HydrophobicContact CD2-CD1 4.28Å; L315-N319 WeakPolarHBondContact O-CB 3.26Å; L315-N319 VanDerWaalsContact O-CG 3.24Å; L315-N319 PolarHBondContact O-N 3.43Å; L315-N319 PolarHBondContact O-ND2 3.47Å
316	T	92.4	Very high	85.8	Confident	73 Å²	73	104.6 Å²	104.6	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-70.3	-40.5	175	-54.6	0	0	0	0	110.9	K312 G313 Y314 N319 S320	K312-T316 WeakPolarHBondContact O-CB 3.45Å; K312-T316 PolarHBondContact O-N 3.12Å; K312-T316 PolarHBondContact O-OG1 2.86Å; G313-T316 CarbonylContact O-C 3.59Å; G313-T316 WeakPolarHBondContact O-CA 3.4Å; G313-T316 WeakPolarHBondContact O-CB 3.4Å; G313-T316 PolarHBondContact O-N 3.49Å; Y314-T316 VanDerWaalsContact C-N 3.32Å; Y314-T316 PolarHBondContact O-N 2.94Å; T316-N319 PolarHBondContact O-N 3.07Å; T316-S320 WeakPolarHBondContact O-CB 3.2Å; T316-S320 PolarHBondContact O-N 2.94Å; T316-S320 PolarHBondContact O-OG 3Å
317	D	92.1	Very high	85.6	Confident	107 Å²	107	102.1 Å²	102.1	57%	0.572	58%	0.575	S	S	*	*	H	α-helix	trans	-68.1	-43	175.1	-64.8	-25.4	0	0	0	111.2	G313 Y314 N319 S320 M321	G313-D317 PolarHBondContact O-N 3.34Å; Y314-D317 PolarHBondContact O-N 3.43Å; D317-N319 VanDerWaalsContact C-N 3.32Å; D317-N319 PolarHBondContact O-N 3.48Å; D317-S320 CarbonylContact O-C 3.54Å; D317-S320 WeakPolarHBondContact O-CA 3.49Å; D317-S320 WeakPolarHBondContact O-CB 3.43Å; D317-S320 PolarHBondContact O-N 3.24Å; D317-M321 WeakPolarHBondContact O-CG 3.29Å; D317-M321 PolarHBondContact O-N 3.45Å
318	L	91.3	Very high	85.5	Confident	64 Å²	64	99.8 Å²	99.8	34%	0.335	56%	0.557	S	S	.	*	H	α-helix	trans	-57.2	-42.7	171.9	-77.3	178.9	0	0	0	112.1	Y314 L315 S320 M321 I322	Y314-L318 HydrophobicContact CD1-CD1 3.75Å; Y314-L318 HydrophobicContact CD1-CG 4.12Å; Y314-L318 HydrophobicContact CE1-CD1 3.65Å; Y314-L318 HydrophobicContact CE1-CD2 4.35Å; Y314-L318 HydrophobicContact CE1-CG 3.99Å; Y314-L318 WeakPolarHBondContact O-CB 3.46Å; Y314-L318 VanDerWaalsContact O-CG 3.28Å; Y314-L318 WeakPolarHBondContact O-CG 3.39Å; Y314-L318 PolarHBondContact O-N 3.06Å; L315-L318 HydrophobicContact CD2-CD1 4.28Å; L318-S320 VanDerWaalsContact C-N 3.32Å; L318-M321 HydrophobicContact CD2-SD 3.81Å; L318-M321 WeakPolarHBondContact O-CG 3.49Å; L318-M321 PolarHBondContact O-N 3.02Å; L318-I322 WeakPolarHBondContact O-CG1 3.42Å
319	N	89.6	Confident	85.4	Confident	106 Å²	106	98.1 Å²	98.1	57%	0.567	54%	0.543	S	S	*	.	H	α-helix	trans	-67.3	-33	174.1	-75.7	-40.6	0	0	0	112.5	L315 T316 D317 M321 I322	L315-N319 WeakPolarHBondContact O-CB 3.26Å; L315-N319 VanDerWaalsContact O-CG 3.24Å; L315-N319 PolarHBondContact O-N 3.43Å; L315-N319 PolarHBondContact O-ND2 3.47Å; T316-N319 PolarHBondContact O-N 3.07Å; D317-N319 VanDerWaalsContact C-N 3.32Å; D317-N319 PolarHBondContact O-N 3.48Å; N319-M321 VanDerWaalsContact C-N 3.35Å; N319-I322 PolarHBondContact O-N 3.32Å
320	S	89.1	Confident	85.5	Confident	93 Å²	93	97.1 Å²	97.1	65%	0.65	54%	0.54	S	S	*	.	H	α-helix	trans	-73.1	-25.1	178.8	-58.2	0	0	0	0	113.2	T316 D317 L318	T316-S320 WeakPolarHBondContact O-CB 3.2Å; T316-S320 PolarHBondContact O-N 2.94Å; T316-S320 PolarHBondContact O-OG 3Å; D317-S320 CarbonylContact O-C 3.54Å; D317-S320 WeakPolarHBondContact O-CA 3.49Å; D317-S320 WeakPolarHBondContact O-CB 3.43Å; D317-S320 PolarHBondContact O-N 3.24Å; L318-S320 VanDerWaalsContact C-N 3.32Å
321	M	85.1	Confident	85.4	Confident	136 Å²	136	97.1 Å²	97.1	67%	0.67	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.6	173.5	63.5	168.2	-91.6	0	0	114.5	D317 L318 N319 P323	D317-M321 WeakPolarHBondContact O-CG 3.29Å; D317-M321 PolarHBondContact O-N 3.45Å; L318-M321 HydrophobicContact CD2-SD 3.81Å; L318-M321 WeakPolarHBondContact O-CG 3.49Å; L318-M321 PolarHBondContact O-N 3.02Å; N319-M321 VanDerWaalsContact C-N 3.35Å; M321-P323 WeakPolarHBondContact O-CD 3.4Å
322	I	83.9	Confident	85.2	Confident	101 Å²	101	94 Å²	94	52%	0.518	52%	0.518	S	S	.	.	S	Bend	trans	-67.1	120.4	175	-63.8	176.4	0	0	0	108.9	L318 N319 T324	L318-I322 WeakPolarHBondContact O-CG1 3.42Å; N319-I322 PolarHBondContact O-N 3.32Å; I322-T324 PolarHBondContact O-N 3.45Å; I322-T324 VanDerWaalsContact O-N 3.15Å
323	P	77.3	Confident	85.2	Confident	91 Å²	91	92.6 Å²	92.6	59%	0.591	51%	0.512	S	S	*	.			trans	-70.3	113.9	179.4	28.4	-33.6	0	0	0	110.2	M321 Y325 G326	M321-P323 WeakPolarHBondContact O-CD 3.4Å; P323-Y325 PolarHBondContact O-N 3.24Å; P323-Y325 VanDerWaalsContact O-N 3.07Å; P323-G326 PolarHBondContact O-N 3Å
324	T	78.5	Confident	85.2	Confident	129 Å²	129	98.3 Å²	98.3	79%	0.791	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.7	176.7	50	0	0	0	0	113.8	I322	I322-T324 PolarHBondContact O-N 3.45Å; I322-T324 VanDerWaalsContact O-N 3.15Å
325	Y	72.8	Confident	85	Confident	200 Å²	200	93.6 Å²	93.6	78%	0.784	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	33.3	179.8	-66.3	-77.5	0	0	0	113.4	P323 G327	P323-Y325 PolarHBondContact O-N 3.24Å; P323-Y325 VanDerWaalsContact O-N 3.07Å; Y325-G327 VanDerWaalsContact C-N 3.26Å; Y325-G327 PolarHBondContact O-N 2.92Å
326	G	66.7	Low	84.9	Confident	26 Å²	26	92.1 Å²	92.1	27%	0.268	51%	0.505	S	S	.	.			trans	-65.8	-15.9	-176.4	0	0	0	0	0	116.9	P323 T363	P323-G326 PolarHBondContact O-N 3Å; G326-T363 VanDerWaalsContact O-CG2 3.28Å; G326-T363 WeakPolarHBondContact O-CG2 3.14Å
327	G	73.8	Confident	84.9	Confident	60 Å²	60	94.4 Å²	94.4	62%	0.619	51%	0.514	S	S	*	.			trans	67.2	174.4	-174.6	0	0	0	0	0	114	Y325 I329	Y325-G327 VanDerWaalsContact C-N 3.26Å; Y325-G327 PolarHBondContact O-N 2.92Å; G327-I329 PolarHBondContact O-N 3.06Å
328	D	83.1	Confident	84.9	Confident	93 Å²	93	94.4 Å²	94.4	50%	0.497	51%	0.513	S	S	.	.			trans	-77.3	118.1	170.2	-173.2	-43.2	0	0	0	109.5	S330 D331 I332	D328-S330 PolarHBondContact O-N 3.33Å; D328-S330 VanDerWaalsContact OD1-CB 3.31Å; D328-S330 WeakPolarHBondContact OD1-CB 3.29Å; D328-S330 PolarHBondContact OD1-N 3.04Å; D328-S330 PolarHBondContact OD1-OG 3.09Å; D328-D331 HydrophobicContact CB-CB 4.41Å; D328-D331 PolarHBondContact O-N 3.11Å; D328-I332 WeakPolarHBondContact O-CB 3.36Å; D328-I332 WeakPolarHBondContact O-CG1 3.13Å; D328-I332 PolarHBondContact O-N 3.34Å
329	I	83.4	Confident	84.9	Confident	104 Å²	104	92.9 Å²	92.9	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-55.8	-26.2	-178	-171.5	56.2	0	0	0	113.9	G327 K333	G327-I329 PolarHBondContact O-N 3.06Å; I329-K333 WeakPolarHBondContact O-CB 3.47Å; I329-K333 WeakPolarHBondContact O-CD 3.43Å; I329-K333 WeakPolarHBondContact O-CG 3.39Å; I329-K333 PolarHBondContact O-N 2.99Å; I329-K333 VanDerWaalsContact O-N 3.15Å
330	S	87.7	Confident	85	Confident	68 Å²	68	92.1 Å²	92.1	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-75.3	-51.6	177.2	70	0	0	0	0	111.7	D328 I332 K333 K334	D328-S330 PolarHBondContact O-N 3.33Å; D328-S330 VanDerWaalsContact OD1-CB 3.31Å; D328-S330 WeakPolarHBondContact OD1-CB 3.29Å; D328-S330 PolarHBondContact OD1-N 3.04Å; D328-S330 PolarHBondContact OD1-OG 3.09Å; S330-I332 VanDerWaalsContact C-N 3.31Å; S330-I332 PolarHBondContact O-N 3.34Å; S330-K333 WeakPolarHBondContact O-CB 3.31Å; S330-K333 PolarHBondContact O-N 3.28Å; S330-K334 PolarHBondContact O-N 3.24Å
331	D	88.7	Confident	85.3	Confident	91 Å²	91	90.3 Å²	90.3	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-66.9	-32	175.6	-85.5	-31.9	0	0	0	112.1	D328 K334 A335	D328-D331 HydrophobicContact CB-CB 4.41Å; D328-D331 PolarHBondContact O-N 3.11Å; D331-K334 CarbonylContact O-C 3.54Å; D331-K334 WeakPolarHBondContact O-CB 3.24Å; D331-K334 PolarHBondContact O-N 2.9Å; D331-A335 VanDerWaalsContact O-CB 3.25Å; D331-A335 WeakPolarHBondContact O-CB 3.32Å; D331-A335 PolarHBondContact O-N 3.31Å
332	I	87.3	Confident	85.6	Confident	23 Å²	23	86 Å²	86	12%	0.118	47%	0.465	C	S	.	.	H	α-helix	trans	-66.1	-38.8	172.5	-68	-66.2	0	0	0	111.4	D328 S330 R336 L359 T363	D328-I332 WeakPolarHBondContact O-CB 3.36Å; D328-I332 WeakPolarHBondContact O-CG1 3.13Å; D328-I332 PolarHBondContact O-N 3.34Å; S330-I332 VanDerWaalsContact C-N 3.31Å; S330-I332 PolarHBondContact O-N 3.34Å; I332-R336 VanDerWaalsContact O-CB 3.22Å; I332-R336 WeakPolarHBondContact O-CB 2.81Å; I332-R336 PolarHBondContact O-N 3.23Å; I332-L359 HydrophobicContact CD1-CD1 3.62Å; I332-T363 HydrophobicContact CB-CG2 4.33Å; I332-T363 HydrophobicContact CD1-CG2 3.5Å; I332-T363 HydrophobicContact CG1-CG2 3.75Å; I332-T363 HydrophobicContact CG2-CG2 3.67Å; I332-T363 WeakPolarHBondContact CG2-OG1 3.5Å
333	K	88.8	Confident	85.9	Confident	126 Å²	126	82.8 Å²	82.8	55%	0.548	45%	0.447	S	S	.	.	H	α-helix	trans	-65.8	-40	171.7	-77.2	167.9	-178.4	174.8	0	111.7	I329 S330 R336 L337	I329-K333 WeakPolarHBondContact O-CB 3.47Å; I329-K333 WeakPolarHBondContact O-CD 3.43Å; I329-K333 WeakPolarHBondContact O-CG 3.39Å; I329-K333 PolarHBondContact O-N 2.99Å; I329-K333 VanDerWaalsContact O-N 3.15Å; S330-K333 WeakPolarHBondContact O-CB 3.31Å; S330-K333 PolarHBondContact O-N 3.28Å; K333-R336 PolarHBondContact O-N 3.39Å; K333-L337 PolarHBondContact O-N 3.28Å
334	K	91.8	Very high	86.5	Confident	144 Å²	144	84 Å²	84	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-44.4	175.2	-176.3	-178.4	174.4	-172.7	0	111.9	S330 D331 L337 L338	S330-K334 PolarHBondContact O-N 3.24Å; D331-K334 CarbonylContact O-C 3.54Å; D331-K334 WeakPolarHBondContact O-CB 3.24Å; D331-K334 PolarHBondContact O-N 2.9Å; K334-L337 PolarHBondContact O-N 3.5Å; K334-L338 WeakPolarHBondContact O-CB 3.43Å; K334-L338 PolarHBondContact O-N 3.11Å
335	A	89.1	Confident	87.1	Confident	29 Å²	29	82.6 Å²	82.6	24%	0.24	44%	0.436	C	S	.	.	H	α-helix	trans	-65.4	-38.5	174.5	0	0	0	0	0	111.7	D331 L337 L338 L339 L359	D331-A335 VanDerWaalsContact O-CB 3.25Å; D331-A335 WeakPolarHBondContact O-CB 3.32Å; D331-A335 PolarHBondContact O-N 3.31Å; A335-L337 VanDerWaalsContact C-N 3.33Å; A335-L337 PolarHBondContact O-N 2.86Å; A335-L338 PolarHBondContact O-N 3.27Å; A335-L339 WeakPolarHBondContact O-CB 3.25Å; A335-L339 VanDerWaalsContact O-CG 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.26Å; A335-L339 PolarHBondContact O-N 3.03Å; A335-L359 HydrophobicContact CB-CD1 4.28Å; A335-L359 HydrophobicContact CB-CD2 3.69Å
336	R	89.8	Confident	87.9	Confident	71 Å²	71	77.2 Å²	77.2	27%	0.268	42%	0.421	S	S	.	.	H	α-helix	trans	-61.2	-41.1	173.3	177.8	-177.6	-75.5	117.1	0.9	111.4	I332 K333 K340 L359 E360	I332-R336 VanDerWaalsContact O-CB 3.22Å; I332-R336 WeakPolarHBondContact O-CB 2.81Å; I332-R336 PolarHBondContact O-N 3.23Å; K333-R336 PolarHBondContact O-N 3.39Å; R336-K340 WeakPolarHBondContact O-CB 3.41Å; R336-K340 PolarHBondContact O-N 2.88Å; R336-L359 HydrophobicContact CB-CD2 4.15Å; R336-E360 WeakPolarHBondContact CD-OE1 3.18Å; R336-E360 WeakPolarHBondContact CG-OE1 3.43Å; R336-E360 IonicContact CZ-OE1 2.99Å; R336-E360 IonicContact CZ-OE2 3.71Å; R336-E360 IonicContact NE-OE1 2.93Å; R336-E360 PolarHBondContact NE-OE1 2.85Å; R336-E360 IonicContact NE-OE2 3.32Å; R336-E360 PolarHBondContact NE-OE2 3.45Å; R336-E360 IonicContact NH2-OE1 2.71Å; R336-E360 IonicContact NH2-OE2 3.7Å; R336-E360 PolarHBondContact NH2-OE2 3.41Å
337	L	92.5	Very high	89	Confident	121 Å²	121	78 Å²	78	63%	0.634	42%	0.421	S	S	*	.	H	α-helix	trans	-68.3	-44.5	174.9	-178.2	61.6	0	0	0	112.2	K333 K334 A335 K340 S341	K333-L337 PolarHBondContact O-N 3.28Å; K334-L337 PolarHBondContact O-N 3.5Å; A335-L337 VanDerWaalsContact C-N 3.33Å; A335-L337 PolarHBondContact O-N 2.86Å; L337-K340 WeakPolarHBondContact O-CB 3.44Å; L337-K340 PolarHBondContact O-N 3.04Å; L337-S341 PolarHBondContact O-N 3.39Å
338	L	92.1	Very high	89.8	Confident	107 Å²	107	82.1 Å²	82.1	56%	0.56	42%	0.424	S	S	*	.	H	α-helix	trans	-59.9	-51	176.2	-175.5	81	0	0	0	111.5	K334 A335 K340 S341 V342	K334-L338 WeakPolarHBondContact O-CB 3.43Å; K334-L338 PolarHBondContact O-N 3.11Å; A335-L338 PolarHBondContact O-N 3.27Å; L338-K340 PolarHBondContact O-N 3.43Å; L338-S341 PolarHBondContact O-N 3.03Å; L338-S341 PolarHBondContact O-OG 3.19Å; L338-V342 VanDerWaalsContact O-CG2 3.26Å; L338-V342 WeakPolarHBondContact O-CG2 3.44Å; L338-V342 PolarHBondContact O-N 3.29Å
339	L	91.7	Very high	90.2	Very high	31 Å²	31	81.9 Å²	81.9	16%	0.162	42%	0.42	C	S	.	.	H	α-helix	trans	-70.5	-24.4	-179.5	-64.1	-180	0	0	0	112.1	A335 R343 A355 S356 L359	A335-L339 WeakPolarHBondContact O-CB 3.25Å; A335-L339 VanDerWaalsContact O-CG 3.3Å; A335-L339 WeakPolarHBondContact O-CG 3.26Å; A335-L339 PolarHBondContact O-N 3.03Å; L339-R343 WeakPolarHBondContact O-CG 3.48Å; L339-R343 PolarHBondContact O-N 3.19Å; L339-R343 VanDerWaalsContact O-N 3.12Å; L339-A355 HydrophobicContact CD1-CB 4.04Å; L339-A355 HydrophobicContact CD2-CB 4.02Å; L339-S356 PolarHBondContact O-OG 3.08Å; L339-L359 HydrophobicContact CD1-CB 4.08Å; L339-L359 HydrophobicContact CD1-CD2 3.79Å
340	K	93	Very high	90.4	Very high	90 Å²	90	78.5 Å²	78.5	39%	0.391	40%	0.404	S	S	.	.	H	α-helix	trans	-64.4	-51.8	166.8	-179.4	-179	176.1	-170.7	0	111.4	R336 L337 L338 V342 R343 E344	R336-K340 WeakPolarHBondContact O-CB 3.41Å; R336-K340 PolarHBondContact O-N 2.88Å; L337-K340 WeakPolarHBondContact O-CB 3.44Å; L337-K340 PolarHBondContact O-N 3.04Å; L338-K340 PolarHBondContact O-N 3.43Å; K340-V342 VanDerWaalsContact C-N 3.32Å; K340-V342 PolarHBondContact O-N 3.08Å; K340-R343 WeakPolarHBondContact O-CG 3.31Å; K340-R343 PolarHBondContact O-N 3.36Å; K340-E344 VanDerWaalsContact CE-CD 3.47Å; K340-E344 WeakPolarHBondContact CE-OE1 3.29Å; K340-E344 WeakPolarHBondContact CE-OE2 3.5Å; K340-E344 HydrophobicContact CG-CG 4.47Å; K340-E344 VanDerWaalsContact CG-OE1 3.3Å; K340-E344 WeakPolarHBondContact CG-OE1 3.38Å; K340-E344 IonicContact NZ-OE1 3.81Å; K340-E344 WeakPolarHBondContact O-CB 3.35Å; K340-E344 VanDerWaalsContact O-CG 3.3Å; K340-E344 WeakPolarHBondContact O-CG 3.35Å; K340-E344 PolarHBondContact O-N 2.94Å
341	S	93.4	Very high	90.7	Very high	55 Å²	55	78.4 Å²	78.4	39%	0.385	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-35.7	178	63.5	0	0	0	0	112.2	L337 L338 E344 T345	L337-S341 PolarHBondContact O-N 3.39Å; L338-S341 PolarHBondContact O-N 3.03Å; L338-S341 PolarHBondContact O-OG 3.19Å; S341-E344 PolarHBondContact O-N 3.26Å; S341-T345 WeakPolarHBondContact O-CB 3.43Å; S341-T345 VanDerWaalsContact O-CG2 3.3Å; S341-T345 WeakPolarHBondContact O-CG2 3.1Å; S341-T345 PolarHBondContact O-N 2.86Å; S341-T345 PolarHBondContact O-OG1 2.68Å
342	V	92.8	Very high	90.8	Very high	46 Å²	46	74.2 Å²	74.2	28%	0.279	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.9	172.1	0	0	0	0	112.4	L338 K340 T345 N346 A352	L338-V342 VanDerWaalsContact O-CG2 3.26Å; L338-V342 WeakPolarHBondContact O-CG2 3.44Å; L338-V342 PolarHBondContact O-N 3.29Å; K340-V342 VanDerWaalsContact C-N 3.32Å; K340-V342 PolarHBondContact O-N 3.08Å; V342-T345 PolarHBondContact O-OG1 3.18Å; V342-T345 VanDerWaalsContact O-OG1 3.12Å; V342-N346 WeakPolarHBondContact O-CB 3.24Å; V342-N346 PolarHBondContact O-N 3.33Å; V342-A352 HydrophobicContact CG1-CB 3.83Å
343	R	89.6	Confident	91	Very high	34 Å²	34	74 Å²	74	13%	0.128	38%	0.378	C	S	.	.	H	α-helix	trans	-75.4	-28.5	177.6	73.4	-178	174.1	-109	4.7	113.7	L339 K340 N346 P347 A352 W353 S356	L339-R343 WeakPolarHBondContact O-CG 3.48Å; L339-R343 PolarHBondContact O-N 3.19Å; L339-R343 VanDerWaalsContact O-N 3.12Å; K340-R343 WeakPolarHBondContact O-CG 3.31Å; K340-R343 PolarHBondContact O-N 3.36Å; R343-N346 CarbonylContact O-C 3.56Å; R343-P347 WeakPolarHBondContact O-CA 3.33Å; R343-A352 HydrophobicContact CB-CB 4.07Å; R343-W353 HydrophobicContact CB-CD2 4.39Å; R343-W353 HydrophobicContact CB-CZ2 4.31Å; R343-S356 PolarHBondContact NH1-OG 3.35Å; R343-S356 VanDerWaalsContact NH1-OG 3.1Å
344	E	90.3	Very high	91.2	Very high	116 Å²	116	68.9 Å²	68.9	54%	0.542	36%	0.357	S	S	.	.	H	α-helix	trans	-75.1	-37.7	176.5	-74.3	170.8	178.4	0	0	111.5	K340 S341	K340-E344 VanDerWaalsContact CE-CD 3.47Å; K340-E344 WeakPolarHBondContact CE-OE1 3.29Å; K340-E344 WeakPolarHBondContact CE-OE2 3.5Å; K340-E344 HydrophobicContact CG-CG 4.47Å; K340-E344 VanDerWaalsContact CG-OE1 3.3Å; K340-E344 WeakPolarHBondContact CG-OE1 3.38Å; K340-E344 IonicContact NZ-OE1 3.81Å; K340-E344 WeakPolarHBondContact O-CB 3.35Å; K340-E344 VanDerWaalsContact O-CG 3.3Å; K340-E344 WeakPolarHBondContact O-CG 3.35Å; K340-E344 PolarHBondContact O-N 2.94Å; S341-E344 PolarHBondContact O-N 3.26Å
345	T	91.8	Very high	91.1	Very high	99 Å²	99	63.9 Å²	63.9	61%	0.607	34%	0.342	S	S	*	.	H	α-helix	trans	-74.7	-32.7	173.1	51.7	0	0	0	0	113.1	S341 V342	S341-T345 WeakPolarHBondContact O-CB 3.43Å; S341-T345 VanDerWaalsContact O-CG2 3.3Å; S341-T345 WeakPolarHBondContact O-CG2 3.1Å; S341-T345 PolarHBondContact O-N 2.86Å; S341-T345 PolarHBondContact O-OG1 2.68Å; V342-T345 PolarHBondContact O-OG1 3.18Å; V342-T345 VanDerWaalsContact O-OG1 3.12Å
346	N	88.6	Confident	91.1	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	33%	0.331	S	S	.	.			trans	-126.8	72.5	-178.6	-60.1	-82.9	0	0	0	112.6	V342 R343 H348 H349	V342-N346 WeakPolarHBondContact O-CB 3.24Å; V342-N346 PolarHBondContact O-N 3.33Å; R343-N346 CarbonylContact O-C 3.56Å; N346-H348 PolarHBondContact O-N 3.1Å; N346-H348 VanDerWaalsContact O-N 3.16Å; N346-H349 HydrophobicContact CB-CB 3.81Å; N346-H349 PolarHBondContact O-N 3.4Å; N346-H349 VanDerWaalsContact O-N 3.1Å
347	P	89.9	Confident	91.2	Very high	43 Å²	43	59.2 Å²	59.2	28%	0.279	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26	-176.2	-24.3	35	0	0	0	114.6	R343 W353 M379 C380	R343-P347 WeakPolarHBondContact O-CA 3.33Å; P347-W353 PolarHBondContact O-NE1 2.95Å; P347-M379 HydrophobicContact CB-CE 3.72Å; P347-M379 WeakPolarHBondContact O-CB 3.45Å; P347-C380 PolarHBondContact O-SG 3.24Å; P347-C380 VanDerWaalsContact O-SG 3.34Å
348	H	90.3	Very high	91.1	Very high	146 Å²	146	59.5 Å²	59.5	68%	0.676	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	8.6	179.1	-59.9	-50.3	0	0	0	114.2	N346 P350 M379	N346-H348 PolarHBondContact O-N 3.1Å; N346-H348 VanDerWaalsContact O-N 3.16Å; H348-P350 WeakPolarHBondContact O-CD 3.42Å; H348-M379 PolarHBondContact ND1-O 3.16Å
349	H	90.8	Very high	90.9	Very high	89 Å²	89	55.5 Å²	55.5	41%	0.412	29%	0.29	S	S	.	.			trans	-92.5	109.3	179.1	-172	56.8	0	0	0	111.6	N346 A352	N346-H349 HydrophobicContact CB-CB 3.81Å; N346-H349 PolarHBondContact O-N 3.4Å; N346-H349 VanDerWaalsContact O-N 3.1Å; H349-A352 HydrophobicContact CB-CB 4.32Å; H349-A352 WeakPolarHBondContact O-CB 3.35Å; H349-A352 PolarHBondContact O-N 3.02Å
350	P	89.1	Confident	90.8	Very high	32 Å²	32	54.8 Å²	54.8	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-43.6	-172	-20.1	32	0	0	0	114.5	H348 A352 W353 I354 S383 V386	H348-P350 WeakPolarHBondContact O-CD 3.42Å; P350-A352 PolarHBondContact O-N 2.91Å; P350-W353 PolarHBondContact O-N 2.99Å; P350-I354 WeakPolarHBondContact O-CG1 3.31Å; P350-I354 PolarHBondContact O-N 3.14Å; P350-S383 WeakPolarHBondContact CB-OG 3.43Å; P350-V386 HydrophobicContact CB-CG2 3.55Å; P350-V386 WeakPolarHBondContact O-CG2 3.34Å
351	P	92.8	Very high	90.5	Very high	67 Å²	67	53.3 Å²	53.3	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-26.3	176	-26.4	35.8	0	0	0	115	I354 A355	P351-I354 PolarHBondContact O-N 3.27Å; P351-A355 WeakPolarHBondContact O-CB 3.49Å; P351-A355 PolarHBondContact O-N 3.04Å
352	A	91.1	Very high	90.1	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-43.6	178.1	0	0	0	0	0	111.9	V342 R343 H349 P350 S356	V342-A352 HydrophobicContact CG1-CB 3.83Å; R343-A352 HydrophobicContact CB-CB 4.07Å; H349-A352 HydrophobicContact CB-CB 4.32Å; H349-A352 WeakPolarHBondContact O-CB 3.35Å; H349-A352 PolarHBondContact O-N 3.02Å; P350-A352 PolarHBondContact O-N 2.91Å; A352-S356 WeakPolarHBondContact O-CB 3.37Å; A352-S356 PolarHBondContact O-N 3.43Å; A352-S356 PolarHBondContact O-OG 3.42Å
353	W	92.1	Very high	89.4	Confident	18 Å²	18	54.5 Å²	54.5	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-69.9	-42.6	177.2	-63.3	100.9	0	0	0	111.4	R343 P347 P350 S356 A357 L372 K375 G376 M379	R343-W353 HydrophobicContact CB-CD2 4.39Å; R343-W353 HydrophobicContact CB-CZ2 4.31Å; P347-W353 PolarHBondContact O-NE1 2.95Å; P350-W353 PolarHBondContact O-N 2.99Å; W353-S356 PolarHBondContact O-N 3.35Å; W353-A357 VanDerWaalsContact O-CB 3.31Å; W353-A357 WeakPolarHBondContact O-CB 3.48Å; W353-A357 PolarHBondContact O-N 2.88Å; W353-L372 HydrophobicContact CE3-CD1 4.15Å; W353-L372 HydrophobicContact CE3-CG 4.14Å; W353-L372 HydrophobicContact CZ3-CD1 3.76Å; W353-L372 HydrophobicContact CZ3-CG 4.26Å; W353-K375 HydrophobicContact CH2-CB 4.49Å; W353-K375 HydrophobicContact CH2-CG 4.01Å; W353-K375 HydrophobicContact CZ3-CB 4.07Å; W353-K375 HydrophobicContact CZ3-CG 4.09Å; W353-G376 VanDerWaalsContact CD2-CA 3.48Å; W353-M379 HydrophobicContact CH2-CG 4.48Å; W353-M379 HydrophobicContact CZ2-CB 4.21Å; W353-M379 HydrophobicContact CZ2-CG 3.99Å
354	I	92.1	Very high	88.8	Confident	19 Å²	19	54.4 Å²	54.4	10%	0.097	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-51.1	176.6	-65.2	168.1	0	0	0	111.2	P350 P351 S356 A357 R358 D385 V386 E389	P350-I354 WeakPolarHBondContact O-CG1 3.31Å; P350-I354 PolarHBondContact O-N 3.14Å; P351-I354 PolarHBondContact O-N 3.27Å; I354-S356 VanDerWaalsContact C-N 3.35Å; I354-S356 PolarHBondContact O-N 3.1Å; I354-A357 PolarHBondContact O-N 3.25Å; I354-R358 HydrophobicContact CG2-CG 4.35Å; I354-R358 WeakPolarHBondContact O-CB 3.39Å; I354-R358 WeakPolarHBondContact O-CG 3.16Å; I354-R358 PolarHBondContact O-N 2.86Å; I354-D385 HydrophobicContact CD1-CB 3.58Å; I354-V386 HydrophobicContact CD1-CG2 3.96Å; I354-V386 HydrophobicContact CG1-CG2 3.87Å; I354-E389 HydrophobicContact CG1-CB 4.48Å; I354-E389 HydrophobicContact CG1-CG 4.11Å; I354-E389 HydrophobicContact CG2-CG 3.96Å
355	A	89.9	Confident	88.3	Confident	38 Å²	38	57.1 Å²	57.1	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-43.4	179.7	0	0	0	0	0	111.2	L339 P351 A357 L359	L339-A355 HydrophobicContact CD1-CB 4.04Å; L339-A355 HydrophobicContact CD2-CB 4.02Å; P351-A355 WeakPolarHBondContact O-CB 3.49Å; P351-A355 PolarHBondContact O-N 3.04Å; A355-A357 VanDerWaalsContact C-N 3.34Å; A355-A357 PolarHBondContact O-N 3.25Å; A355-L359 WeakPolarHBondContact O-CB 3.47Å; A355-L359 PolarHBondContact O-N 3.47Å
356	S	89.6	Confident	88.2	Confident	2 Å²	2	56 Å²	56	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-44.4	176.4	-59.9	0	0	0	0	111.7	L339 R343 A352 W353 I354 L359 E360	L339-S356 PolarHBondContact O-OG 3.08Å; R343-S356 PolarHBondContact NH1-OG 3.35Å; R343-S356 VanDerWaalsContact NH1-OG 3.1Å; A352-S356 WeakPolarHBondContact O-CB 3.37Å; A352-S356 PolarHBondContact O-N 3.43Å; A352-S356 PolarHBondContact O-OG 3.42Å; W353-S356 PolarHBondContact O-N 3.35Å; I354-S356 VanDerWaalsContact C-N 3.35Å; I354-S356 PolarHBondContact O-N 3.1Å; S356-L359 PolarHBondContact O-N 2.97Å; S356-E360 WeakPolarHBondContact O-CG 3.26Å; S356-E360 PolarHBondContact O-N 2.97Å; S356-E360 VanDerWaalsContact O-N 3.15Å
357	A	91.1	Very high	88.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-70.6	-42.7	-178.4	0	0	0	0	0	113.1	W353 I354 A355 L359 E360 E361 A369 I373 L393	W353-A357 VanDerWaalsContact O-CB 3.31Å; W353-A357 WeakPolarHBondContact O-CB 3.48Å; W353-A357 PolarHBondContact O-N 2.88Å; I354-A357 PolarHBondContact O-N 3.25Å; A355-A357 VanDerWaalsContact C-N 3.34Å; A355-A357 PolarHBondContact O-N 3.25Å; A357-L359 VanDerWaalsContact C-N 3.29Å; A357-L359 PolarHBondContact O-N 3.48Å; A357-E360 PolarHBondContact O-N 3.08Å; A357-E361 PolarHBondContact O-N 2.84Å; A357-A369 HydrophobicContact CB-CB 4.46Å; A357-A369 WeakPolarHBondContact O-CB 3.49Å; A357-I373 HydrophobicContact CB-CG2 3.15Å; A357-L393 HydrophobicContact CB-CD1 4Å
358	R	90.2	Very high	88.2	Confident	127 Å²	127	58 Å²	58	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-37.3	173.6	-72.6	179.6	178	178.3	0.1	111.4	I354 E361 V362 E389	I354-R358 HydrophobicContact CG2-CG 4.35Å; I354-R358 WeakPolarHBondContact O-CB 3.39Å; I354-R358 WeakPolarHBondContact O-CG 3.16Å; I354-R358 PolarHBondContact O-N 2.86Å; R358-E361 WeakPolarHBondContact O-CB 3.28Å; R358-E361 PolarHBondContact O-N 3.43Å; R358-V362 WeakPolarHBondContact O-CG2 3.21Å; R358-V362 PolarHBondContact O-N 3.16Å; R358-E389 IonicContact CZ-OE1 2.74Å; R358-E389 VanDerWaalsContact CZ-OE1 3.23Å; R358-E389 IonicContact NE-OE1 3.92Å; R358-E389 PolarHBondContact NE-OE1 3.27Å; R358-E389 IonicContact NE-OE2 3.53Å; R358-E389 IonicContact NH2-OE1 2.67Å; R358-E389 PolarHBondContact NH2-OE1 3.41Å
359	L	89.8	Confident	88.3	Confident	23 Å²	23	51.1 Å²	51.1	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-42	174.9	-173.9	70	0	0	0	112.6	I332 A335 R336 L339 A355 S356 A357 E361 V362 T363	I332-L359 HydrophobicContact CD1-CD1 3.62Å; A335-L359 HydrophobicContact CB-CD1 4.28Å; A335-L359 HydrophobicContact CB-CD2 3.69Å; R336-L359 HydrophobicContact CB-CD2 4.15Å; L339-L359 HydrophobicContact CD1-CB 4.08Å; L339-L359 HydrophobicContact CD1-CD2 3.79Å; A355-L359 WeakPolarHBondContact O-CB 3.47Å; A355-L359 PolarHBondContact O-N 3.47Å; S356-L359 PolarHBondContact O-N 2.97Å; A357-L359 VanDerWaalsContact C-N 3.29Å; A357-L359 PolarHBondContact O-N 3.48Å; L359-E361 VanDerWaalsContact C-N 3.31Å; L359-V362 WeakPolarHBondContact O-CG2 3.05Å; L359-T363 PolarHBondContact O-N 3.01Å; L359-T363 PolarHBondContact O-OG1 3.49Å
360	E	87.7	Confident	88.3	Confident	17 Å²	17	49.4 Å²	49.4	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-73.5	-20.8	176.2	-64	-66.1	179.5	0	0	113.1	R336 S356 A357 G364 V368 A369	R336-E360 WeakPolarHBondContact CD-OE1 3.18Å; R336-E360 WeakPolarHBondContact CG-OE1 3.43Å; R336-E360 IonicContact CZ-OE1 2.99Å; R336-E360 IonicContact CZ-OE2 3.71Å; R336-E360 IonicContact NE-OE1 2.93Å; R336-E360 PolarHBondContact NE-OE1 2.85Å; R336-E360 IonicContact NE-OE2 3.32Å; R336-E360 PolarHBondContact NE-OE2 3.45Å; R336-E360 IonicContact NH2-OE1 2.71Å; R336-E360 IonicContact NH2-OE2 3.7Å; R336-E360 PolarHBondContact NH2-OE2 3.41Å; S356-E360 WeakPolarHBondContact O-CG 3.26Å; S356-E360 PolarHBondContact O-N 2.97Å; S356-E360 VanDerWaalsContact O-N 3.15Å; A357-E360 PolarHBondContact O-N 3.08Å; E360-G364 CarbonylContact O-C 3.57Å; E360-G364 WeakPolarHBondContact O-CA 3.08Å; E360-G364 PolarHBondContact O-N 2.82Å; E360-V368 HydrophobicContact CG-CG1 4.33Å; E360-A369 HydrophobicContact CB-CB 3.88Å
361	E	88.1	Confident	88.4	Confident	59 Å²	59	52.7 Å²	52.7	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-73.7	-49.5	169.8	167.1	-180	-143.3	0	0	111.9	A357 R358 L359 T363 L366 R392 L393	A357-E361 PolarHBondContact O-N 2.84Å; R358-E361 WeakPolarHBondContact O-CB 3.28Å; R358-E361 PolarHBondContact O-N 3.43Å; L359-E361 VanDerWaalsContact C-N 3.31Å; E361-T363 VanDerWaalsContact C-N 3.26Å; E361-T363 PolarHBondContact O-N 3.38Å; E361-L366 HydrophobicContact CB-CD2 4.12Å; E361-L366 HydrophobicContact CG-CD2 3.86Å; E361-R392 IonicContact OE1-CZ 2.66Å; E361-R392 IonicContact OE1-NH1 3.02Å; E361-R392 PolarHBondContact OE1-NH1 3.08Å; E361-R392 IonicContact OE1-NH2 3.78Å; E361-R392 PolarHBondContact OE1-NH2 3.29Å; E361-R392 IonicContact OE2-CZ 3.13Å; E361-R392 IonicContact OE2-NH1 3.65Å; E361-R392 PolarHBondContact OE2-NH1 2.88Å; E361-R392 IonicContact OE2-NH2 2.77Å; E361-R392 PolarHBondContact OE2-NH2 2.99Å; E361-L393 HydrophobicContact CB-CD2 4.05Å; E361-L393 HydrophobicContact CG-CD2 4.1Å
362	V	85.6	Confident	88.3	Confident	83 Å²	83	50.7 Å²	50.7	50%	0.503	26%	0.262	S	S	.	.	H	α-helix	trans	-70.4	-20.8	-174.7	-65.9	0	0	0	0	113.7	R358 L359	R358-V362 WeakPolarHBondContact O-CG2 3.21Å; R358-V362 PolarHBondContact O-N 3.16Å; L359-V362 WeakPolarHBondContact O-CG2 3.05Å
363	T	78	Confident	88.3	Confident	43 Å²	43	50.6 Å²	50.6	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-131	-9.2	-173.7	65.9	0	0	0	0	115.7	G326 I332 L359 E361	G326-T363 VanDerWaalsContact O-CG2 3.28Å; G326-T363 WeakPolarHBondContact O-CG2 3.14Å; I332-T363 HydrophobicContact CB-CG2 4.33Å; I332-T363 HydrophobicContact CD1-CG2 3.5Å; I332-T363 HydrophobicContact CG1-CG2 3.75Å; I332-T363 HydrophobicContact CG2-CG2 3.67Å; I332-T363 WeakPolarHBondContact CG2-OG1 3.5Å; L359-T363 PolarHBondContact O-N 3.01Å; L359-T363 PolarHBondContact O-OG1 3.49Å; E361-T363 VanDerWaalsContact C-N 3.26Å; E361-T363 PolarHBondContact O-N 3.38Å
364	G	75.8	Confident	88.2	Confident	31 Å²	31	52 Å²	52	32%	0.32	27%	0.269	S	S	.	.	S	Bend	trans	-128.5	-175.9	-165	0	0	0	0	0	113.5	E360 L366	E360-G364 CarbonylContact O-C 3.57Å; E360-G364 WeakPolarHBondContact O-CA 3.08Å; E360-G364 PolarHBondContact O-N 2.82Å; G364-L366 PolarHBondContact O-N 2.96Å
365	K	81.1	Confident	88.1	Confident	173 Å²	173	55.6 Å²	55.6	75%	0.752	28%	0.284	S	S	*	.			trans	-78.2	118.8	173.8	-64.3	179.8	-178.2	-179.9	0	108.1	Q367 V368	K365-Q367 PolarHBondContact O-N 2.78Å; K365-V368 PolarHBondContact O-N 2.74Å
366	L	87.8	Confident	88.1	Confident	76 Å²	76	53.8 Å²	53.8	40%	0.398	27%	0.269	S	S	.	.	H	α-helix	trans	-44.8	-30.4	178.7	-69.7	172.2	0	0	0	114.3	E361 G364 V368 A369 R370 L393	E361-L366 HydrophobicContact CB-CD2 4.12Å; E361-L366 HydrophobicContact CG-CD2 3.86Å; G364-L366 PolarHBondContact O-N 2.96Å; L366-V368 VanDerWaalsContact C-N 3.31Å; L366-V368 PolarHBondContact O-N 3Å; L366-A369 WeakPolarHBondContact O-CB 3.24Å; L366-A369 PolarHBondContact O-N 2.79Å; L366-R370 WeakPolarHBondContact O-CB 3.45Å; L366-R370 VanDerWaalsContact O-CG 3.31Å; L366-R370 WeakPolarHBondContact O-CG 3.48Å; L366-R370 PolarHBondContact O-N 2.9Å; L366-L393 HydrophobicContact CD2-CD2 4.32Å
367	Q	90.4	Very high	88	Confident	96 Å²	96	53.8 Å²	53.8	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-31.7	178.2	-162.7	57.4	39	0	0	113.9	K365 R370 N371	K365-Q367 PolarHBondContact O-N 2.78Å; Q367-R370 PolarHBondContact O-N 3.4Å; Q367-N371 PolarHBondContact NE2-OD1 3.26Å; Q367-N371 VanDerWaalsContact O-CG 3.23Å; Q367-N371 PolarHBondContact O-N 2.9Å; Q367-N371 PolarHBondContact O-OD1 3.4Å
368	V	89.9	Confident	87.9	Confident	77 Å²	77	59.7 Å²	59.7	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-44.2	174.6	-179.6	0	0	0	0	109.9	E360 K365 L366 R370 N371 L372	E360-V368 HydrophobicContact CG-CG1 4.33Å; K365-V368 PolarHBondContact O-N 2.74Å; L366-V368 VanDerWaalsContact C-N 3.31Å; L366-V368 PolarHBondContact O-N 3Å; V368-R370 VanDerWaalsContact C-N 3.34Å; V368-R370 PolarHBondContact O-N 3.46Å; V368-N371 PolarHBondContact O-N 3.1Å; V368-L372 VanDerWaalsContact O-CB 3.31Å; V368-L372 WeakPolarHBondContact O-CB 3.43Å; V368-L372 PolarHBondContact O-N 3.35Å
369	A	90.8	Very high	87.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-45	173.1	0	0	0	0	0	111.8	A357 E360 L366 L372 I373 L393	A357-A369 HydrophobicContact CB-CB 4.46Å; A357-A369 WeakPolarHBondContact O-CB 3.49Å; E360-A369 HydrophobicContact CB-CB 3.88Å; L366-A369 WeakPolarHBondContact O-CB 3.24Å; L366-A369 PolarHBondContact O-N 2.79Å; A369-L372 PolarHBondContact O-N 3.42Å; A369-I373 PolarHBondContact O-N 2.59Å; A369-L393 HydrophobicContact CB-CD1 4.44Å
370	R	91.3	Very high	87.7	Confident	53 Å²	53	55.7 Å²	55.7	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-44.7	176.1	-75.4	172.8	-170.9	159.6	-0.2	113.6	L366 Q367 V368 L372 I373 M374 L393	L366-R370 WeakPolarHBondContact O-CB 3.45Å; L366-R370 VanDerWaalsContact O-CG 3.31Å; L366-R370 WeakPolarHBondContact O-CG 3.48Å; L366-R370 PolarHBondContact O-N 2.9Å; Q367-R370 PolarHBondContact O-N 3.4Å; V368-R370 VanDerWaalsContact C-N 3.34Å; V368-R370 PolarHBondContact O-N 3.46Å; R370-L372 VanDerWaalsContact C-N 3.25Å; R370-L372 PolarHBondContact O-N 3.38Å; R370-I373 VanDerWaalsContact O-CG1 3.27Å; R370-I373 WeakPolarHBondContact O-CG1 3.42Å; R370-M374 VanDerWaalsContact O-CG 3.26Å; R370-M374 WeakPolarHBondContact O-CG 3.44Å; R370-M374 PolarHBondContact O-N 3Å; R370-L393 HydrophobicContact CG-CB 4.5Å; R370-L393 PolarHBondContact NE-O 3.05Å
371	N	90.9	Very high	87.6	Confident	102 Å²	102	56.9 Å²	56.9	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-66.7	-34.8	176.9	-66.6	4.4	0	0	0	110.6	Q367 V368 K375	Q367-N371 PolarHBondContact NE2-OD1 3.26Å; Q367-N371 VanDerWaalsContact O-CG 3.23Å; Q367-N371 PolarHBondContact O-N 2.9Å; Q367-N371 PolarHBondContact O-OD1 3.4Å; V368-N371 PolarHBondContact O-N 3.1Å; N371-K375 PolarHBondContact O-N 2.62Å; N371-K375 VanDerWaalsContact O-N 3.12Å
372	L	91.3	Very high	87.5	Confident	24 Å²	24	63 Å²	63	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-73.3	-40.8	-177.8	-163.7	67.8	0	0	0	113.5	W353 V368 A369 R370 K375 G376	W353-L372 HydrophobicContact CE3-CD1 4.15Å; W353-L372 HydrophobicContact CE3-CG 4.14Å; W353-L372 HydrophobicContact CZ3-CD1 3.76Å; W353-L372 HydrophobicContact CZ3-CG 4.26Å; V368-L372 VanDerWaalsContact O-CB 3.31Å; V368-L372 WeakPolarHBondContact O-CB 3.43Å; V368-L372 PolarHBondContact O-N 3.35Å; A369-L372 PolarHBondContact O-N 3.42Å; R370-L372 VanDerWaalsContact C-N 3.25Å; R370-L372 PolarHBondContact O-N 3.38Å; L372-K375 PolarHBondContact O-N 2.93Å; L372-G376 PolarHBondContact O-N 3Å
373	I	90.9	Very high	87.6	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-35.4	172.3	62.6	-158.1	0	0	0	112.5	A357 A369 R370 K375 G376 T377 A390 L393	A357-I373 HydrophobicContact CB-CG2 3.15Å; A369-I373 PolarHBondContact O-N 2.59Å; R370-I373 VanDerWaalsContact O-CG1 3.27Å; R370-I373 WeakPolarHBondContact O-CG1 3.42Å; I373-K375 VanDerWaalsContact C-N 3.31Å; I373-K375 PolarHBondContact O-N 3.05Å; I373-G376 CarbonylContact O-C 3.59Å; I373-G376 WeakPolarHBondContact O-CA 3.26Å; I373-G376 PolarHBondContact O-N 3.03Å; I373-T377 PolarHBondContact O-N 3.29Å; I373-T377 PolarHBondContact O-OG1 3.48Å; I373-A390 HydrophobicContact CB-CB 4.37Å; I373-A390 HydrophobicContact CD1-CB 4.38Å; I373-A390 HydrophobicContact CG1-CB 4.23Å; I373-L393 HydrophobicContact CD1-CB 3.37Å; I373-L393 HydrophobicContact CD1-CD1 3.5Å; I373-L393 VanDerWaalsContact CD1-CD1 3.5Å; I373-L393 HydrophobicContact CD1-CG 4.05Å; I373-L393 HydrophobicContact CG2-CD1 3.83Å
374	M	89.9	Confident	88.1	Confident	47 Å²	47	60.5 Å²	60.5	23%	0.232	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-40	175.8	-70.9	-54.3	-55	0	0	110.8	R370 G376 T377 E378 V402	R370-M374 VanDerWaalsContact O-CG 3.26Å; R370-M374 WeakPolarHBondContact O-CG 3.44Å; R370-M374 PolarHBondContact O-N 3Å; M374-G376 VanDerWaalsContact C-N 3.33Å; M374-T377 WeakPolarHBondContact CA-OG1 3.44Å; M374-T377 PolarHBondContact O-N 2.88Å; M374-T377 PolarHBondContact O-OG1 3.07Å; M374-E378 WeakPolarHBondContact O-CG 3.3Å; M374-E378 PolarHBondContact O-N 3.31Å; M374-V402 HydrophobicContact CE-CG2 4.03Å; M374-V402 HydrophobicContact SD-CG2 3.59Å; M374-V402 VanDerWaalsContact SD-CG2 3.59Å
375	K	90.6	Very high	88.9	Confident	95 Å²	95	62.5 Å²	62.5	41%	0.413	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-40.7	169	-165.1	69.9	-143.1	162.9	0	111.6	W353 N371 L372 I373 T377 E378 M379	W353-K375 HydrophobicContact CH2-CB 4.49Å; W353-K375 HydrophobicContact CH2-CG 4.01Å; W353-K375 HydrophobicContact CZ3-CB 4.07Å; W353-K375 HydrophobicContact CZ3-CG 4.09Å; N371-K375 PolarHBondContact O-N 2.62Å; N371-K375 VanDerWaalsContact O-N 3.12Å; L372-K375 PolarHBondContact O-N 2.93Å; I373-K375 VanDerWaalsContact C-N 3.31Å; I373-K375 PolarHBondContact O-N 3.05Å; K375-T377 PolarHBondContact O-N 2.9Å; K375-E378 WeakPolarHBondContact CE-OE2 3.37Å; K375-E378 IonicContact NZ-OE2 2.7Å; K375-E378 PolarHBondContact NZ-OE2 3.41Å; K375-E378 PolarHBondContact O-N 2.75Å; K375-M379 VanDerWaalsContact O-CG 3.3Å; K375-M379 WeakPolarHBondContact O-CG 3.29Å; K375-M379 PolarHBondContact O-N 2.68Å; K375-M379 VanDerWaalsContact O-N 3.09Å
376	G	89.6	Confident	89.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-42	173.8	0	0	0	0	0	114	W353 L372 I373 M374 E378 M379 C380	W353-G376 VanDerWaalsContact CD2-CA 3.48Å; L372-G376 PolarHBondContact O-N 3Å; I373-G376 CarbonylContact O-C 3.59Å; I373-G376 WeakPolarHBondContact O-CA 3.26Å; I373-G376 PolarHBondContact O-N 3.03Å; M374-G376 VanDerWaalsContact C-N 3.33Å; G376-E378 VanDerWaalsContact C-N 3.34Å; G376-E378 PolarHBondContact O-N 2.54Å; G376-M379 PolarHBondContact O-N 3.03Å; G376-C380 WeakPolarHBondContact O-CB 3.43Å; G376-C380 PolarHBondContact O-N 2.93Å
377	T	87.7	Confident	89.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-33.9	178.3	44.9	0	0	0	0	112.7	I373 M374 K375 V386 W387 A390	I373-T377 PolarHBondContact O-N 3.29Å; I373-T377 PolarHBondContact O-OG1 3.48Å; M374-T377 WeakPolarHBondContact CA-OG1 3.44Å; M374-T377 PolarHBondContact O-N 2.88Å; M374-T377 PolarHBondContact O-OG1 3.07Å; K375-T377 PolarHBondContact O-N 2.9Å; T377-V386 HydrophobicContact CG2-CG1 3.75Å; T377-W387 HydrophobicContact CG2-CD2 3.63Å; T377-W387 HydrophobicContact CG2-CE3 3.4Å; T377-W387 HydrophobicContact CG2-CG 4.28Å; T377-W387 HydrophobicContact CG2-CH2 4.1Å; T377-W387 HydrophobicContact CG2-CZ2 4.29Å; T377-W387 HydrophobicContact CG2-CZ3 3.66Å; T377-A390 HydrophobicContact CG2-CB 3.7Å
378	E	88.3	Confident	89.6	Confident	123 Å²	123	48.2 Å²	48.2	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-69	-41.2	173.1	-67.2	170.1	-172.9	0	0	111.9	M374 K375 G376	M374-E378 WeakPolarHBondContact O-CG 3.3Å; M374-E378 PolarHBondContact O-N 3.31Å; K375-E378 WeakPolarHBondContact CE-OE2 3.37Å; K375-E378 IonicContact NZ-OE2 2.7Å; K375-E378 PolarHBondContact NZ-OE2 3.41Å; K375-E378 PolarHBondContact O-N 2.75Å; G376-E378 VanDerWaalsContact C-N 3.34Å; G376-E378 PolarHBondContact O-N 2.54Å
379	M	88.4	Confident	89.5	Confident	60 Å²	60	45.4 Å²	45.4	30%	0.296	22%	0.22	S	C	.	.	H	α-helix	trans	-80.6	-25.5	-177.6	-59.5	-55.1	-66.9	0	0	113.5	P347 H348 W353 K375 G376 P381	P347-M379 HydrophobicContact CB-CE 3.72Å; P347-M379 WeakPolarHBondContact O-CB 3.45Å; H348-M379 PolarHBondContact ND1-O 3.16Å; W353-M379 HydrophobicContact CH2-CG 4.48Å; W353-M379 HydrophobicContact CZ2-CB 4.21Å; W353-M379 HydrophobicContact CZ2-CG 3.99Å; K375-M379 VanDerWaalsContact O-CG 3.3Å; K375-M379 WeakPolarHBondContact O-CG 3.29Å; K375-M379 PolarHBondContact O-N 2.68Å; K375-M379 VanDerWaalsContact O-N 3.09Å; G376-M379 PolarHBondContact O-N 3.03Å; M379-P381 VanDerWaalsContact C-CD 3.46Å
380	C	87.3	Confident	89.5	Confident	7 Å²	7	45.4 Å²	45.4	5%	0.047	22%	0.22	C	C	.	.			trans	-125.7	62.1	-178.8	-64.6	0	0	0	0	112	P347 G376 K382 S383 V386	P347-C380 PolarHBondContact O-SG 3.24Å; P347-C380 VanDerWaalsContact O-SG 3.34Å; G376-C380 WeakPolarHBondContact O-CB 3.43Å; G376-C380 PolarHBondContact O-N 2.93Å; C380-K382 VanDerWaalsContact C-N 3.27Å; C380-K382 PolarHBondContact O-N 3.34Å; C380-S383 WeakPolarHBondContact CB-OG 3.29Å; C380-S383 PolarHBondContact O-N 3.01Å; C380-S383 PolarHBondContact O-OG 3.07Å; C380-V386 HydrophobicContact CB-CG2 4.49Å
381	P	85.9	Confident	89.4	Confident	42 Å²	42	43 Å²	43	27%	0.273	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25	-173.6	26.7	-35.4	0	0	0	113.7	M379 W387	M379-P381 VanDerWaalsContact C-CD 3.46Å; P381-W387 PolarHBondContact O-NE1 3.03Å
382	K	85.6	Confident	89.5	Confident	187 Å²	187	42.6 Å²	42.6	81%	0.813	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.1	-175.3	-65.8	-174.4	178.6	-179.3	0	115	C380	C380-K382 VanDerWaalsContact C-N 3.27Å; C380-K382 PolarHBondContact O-N 3.34Å
383	S	89	Confident	89.5	Confident	17 Å²	17	41.9 Å²	41.9	12%	0.119	20%	0.198	C	C	.	.			trans	-102.7	118.4	-176.7	56	0	0	0	0	112.6	P350 C380 D385 W387	P350-S383 WeakPolarHBondContact CB-OG 3.43Å; C380-S383 WeakPolarHBondContact CB-OG 3.29Å; C380-S383 PolarHBondContact O-N 3.01Å; C380-S383 PolarHBondContact O-OG 3.07Å; S383-D385 VanDerWaalsContact C-N 3.34Å; S383-D385 PolarHBondContact O-N 3.26Å; S383-W387 VanDerWaalsContact O-CD1 3.29Å
384	E	88.4	Confident	89.4	Confident	57 Å²	57	43.2 Å²	43.2	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-57.3	-43.6	179.7	-57	-172.1	147.4	0	0	112.9	V386 W387 L388 L410 S413 R415	E384-V386 VanDerWaalsContact C-N 3.34Å; E384-V386 PolarHBondContact O-N 3.44Å; E384-W387 PolarHBondContact O-N 3.2Å; E384-W387 VanDerWaalsContact O-N 3.16Å; E384-L388 WeakPolarHBondContact O-CG 3.34Å; E384-L388 PolarHBondContact O-N 3.26Å; E384-L410 HydrophobicContact CG-CD1 4.04Å; E384-S413 WeakPolarHBondContact CG-OG 3.28Å; E384-S413 WeakPolarHBondContact OE1-CA 3.38Å; E384-S413 WeakPolarHBondContact OE1-CB 3.44Å; E384-S413 PolarHBondContact OE1-OG 3.43Å; E384-R415 IonicContact OE2-CZ 2.71Å; E384-R415 IonicContact OE2-NE 2.68Å; E384-R415 PolarHBondContact OE2-NE 3.43Å; E384-R415 IonicContact OE2-NH2 3.89Å; E384-R415 PolarHBondContact OE2-NH2 3.19Å
385	D	91	Very high	89.3	Confident	73 Å²	73	44 Å²	44	39%	0.39	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-33.5	-169.9	-58.1	-50.9	0	0	0	113.3	I354 S383 L388 E389 R415	I354-D385 HydrophobicContact CD1-CB 3.58Å; S383-D385 VanDerWaalsContact C-N 3.34Å; S383-D385 PolarHBondContact O-N 3.26Å; D385-L388 PolarHBondContact O-N 2.92Å; D385-E389 WeakPolarHBondContact O-CG 3.27Å; D385-E389 PolarHBondContact O-N 3.29Å; D385-R415 IonicContact OD1-CZ 2.79Å; D385-R415 IonicContact OD1-NH1 3.25Å; D385-R415 PolarHBondContact OD1-NH1 3.38Å; D385-R415 IonicContact OD1-NH2 3.48Å; D385-R415 PolarHBondContact OD1-NH2 3.03Å; D385-R415 IonicContact OD2-NH2 3.26Å
386	V	92.6	Very high	88.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-39.6	176.1	172.1	0	0	0	0	110.5	P350 I354 T377 C380 E384 E389 A390	P350-V386 HydrophobicContact CB-CG2 3.55Å; P350-V386 WeakPolarHBondContact O-CG2 3.34Å; I354-V386 HydrophobicContact CD1-CG2 3.96Å; I354-V386 HydrophobicContact CG1-CG2 3.87Å; T377-V386 HydrophobicContact CG2-CG1 3.75Å; C380-V386 HydrophobicContact CB-CG2 4.49Å; E384-V386 VanDerWaalsContact C-N 3.34Å; E384-V386 PolarHBondContact O-N 3.44Å; V386-E389 PolarHBondContact O-N 2.74Å; V386-A390 VanDerWaalsContact O-CB 3.3Å; V386-A390 WeakPolarHBondContact O-CB 3.22Å; V386-A390 PolarHBondContact O-N 3.15Å
387	W	91.7	Very high	88.8	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-36.1	174.7	-72.3	112	0	0	0	112.6	T377 P381 S383 E384 A390 A391 V402 Q405 A406 H409 I416	T377-W387 HydrophobicContact CG2-CD2 3.63Å; T377-W387 HydrophobicContact CG2-CE3 3.4Å; T377-W387 HydrophobicContact CG2-CG 4.28Å; T377-W387 HydrophobicContact CG2-CH2 4.1Å; T377-W387 HydrophobicContact CG2-CZ2 4.29Å; T377-W387 HydrophobicContact CG2-CZ3 3.66Å; P381-W387 PolarHBondContact O-NE1 3.03Å; S383-W387 VanDerWaalsContact O-CD1 3.29Å; E384-W387 PolarHBondContact O-N 3.2Å; E384-W387 VanDerWaalsContact O-N 3.16Å; W387-A390 PolarHBondContact O-N 3.23Å; W387-A391 VanDerWaalsContact O-CB 3.3Å; W387-A391 WeakPolarHBondContact O-CB 3.35Å; W387-A391 PolarHBondContact O-N 2.81Å; W387-V402 HydrophobicContact CE3-CG1 3.85Å; W387-V402 HydrophobicContact CZ3-CG1 4.05Å; W387-V402 WeakPolarHBondContact CZ3-O 3.35Å; W387-Q405 HydrophobicContact CH2-CB 3.72Å; W387-Q405 HydrophobicContact CZ3-CB 3.74Å; W387-A406 HydrophobicContact CB-CB 3.66Å; W387-A406 HydrophobicContact CD2-CB 3.47Å; W387-A406 VanDerWaalsContact CD2-CB 3.47Å; W387-A406 HydrophobicContact CE3-CB 3.53Å; W387-A406 HydrophobicContact CG-CB 3.55Å; W387-A406 HydrophobicContact CZ3-CB 4.32Å; W387-H409 AromaticContact CZ2-CD2 3.54Å; W387-I416 HydrophobicContact CB-CD1 4.2Å
388	L	90.2	Very high	88.8	Confident	36 Å²	36	50.1 Å²	50.1	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-42.4	174.8	-69.1	172.2	0	0	0	112	E384 D385 A391 R392 R415 I416 R419	E384-L388 WeakPolarHBondContact O-CG 3.34Å; E384-L388 PolarHBondContact O-N 3.26Å; D385-L388 PolarHBondContact O-N 2.92Å; L388-A391 CarbonylContact O-C 3.57Å; L388-A391 PolarHBondContact O-N 2.86Å; L388-R392 WeakPolarHBondContact O-CB 3.39Å; L388-R392 PolarHBondContact O-N 3.45Å; L388-R415 HydrophobicContact CD1-CB 3.81Å; L388-R415 HydrophobicContact CD2-CB 4.27Å; L388-I416 HydrophobicContact CD2-CG1 4.18Å; L388-I416 HydrophobicContact CG-CG1 4.44Å; L388-R419 HydrophobicContact CD2-CB 3.83Å; L388-R419 HydrophobicContact CD2-CG 4.3Å
389	E	88.5	Confident	88.9	Confident	18 Å²	18	44.3 Å²	44.3	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-37.9	173.7	-74.1	-67	163.5	0	0	112.3	I354 R358 D385 V386 A391 R392 L393	I354-E389 HydrophobicContact CG1-CB 4.48Å; I354-E389 HydrophobicContact CG1-CG 4.11Å; I354-E389 HydrophobicContact CG2-CG 3.96Å; R358-E389 IonicContact CZ-OE1 2.74Å; R358-E389 VanDerWaalsContact CZ-OE1 3.23Å; R358-E389 IonicContact NE-OE1 3.92Å; R358-E389 PolarHBondContact NE-OE1 3.27Å; R358-E389 IonicContact NE-OE2 3.53Å; R358-E389 IonicContact NH2-OE1 2.67Å; R358-E389 PolarHBondContact NH2-OE1 3.41Å; D385-E389 WeakPolarHBondContact O-CG 3.27Å; D385-E389 PolarHBondContact O-N 3.29Å; V386-E389 PolarHBondContact O-N 2.74Å; E389-A391 VanDerWaalsContact C-N 3.35Å; E389-A391 PolarHBondContact O-N 2.98Å; E389-R392 PolarHBondContact O-N 3.37Å; E389-R392 VanDerWaalsContact O-N 3.12Å; E389-R392 IonicContact OE1-NE 3.13Å; E389-R392 IonicContact OE2-CZ 2.73Å; E389-R392 VanDerWaalsContact OE2-CZ 3.22Å; E389-R392 IonicContact OE2-NE 3.27Å; E389-R392 PolarHBondContact OE2-NE 3.5Å; E389-R392 IonicContact OE2-NH2 2.66Å; E389-R392 PolarHBondContact OE2-NH2 2.91Å; E389-L393 PolarHBondContact O-N 3.1Å
390	A	90.8	Very high	88.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-44.3	171	0	0	0	0	0	111.9	I373 T377 V386 W387 R392 Q394 V402	I373-A390 HydrophobicContact CB-CB 4.37Å; I373-A390 HydrophobicContact CD1-CB 4.38Å; I373-A390 HydrophobicContact CG1-CB 4.23Å; T377-A390 HydrophobicContact CG2-CB 3.7Å; V386-A390 VanDerWaalsContact O-CB 3.3Å; V386-A390 WeakPolarHBondContact O-CB 3.22Å; V386-A390 PolarHBondContact O-N 3.15Å; W387-A390 PolarHBondContact O-N 3.23Å; A390-R392 PolarHBondContact O-N 3.09Å; A390-Q394 WeakPolarHBondContact O-CB 3.14Å; A390-Q394 WeakPolarHBondContact O-CG 3.47Å; A390-Q394 PolarHBondContact O-N 2.84Å; A390-V402 HydrophobicContact CB-CG1 3.55Å
391	A	89.6	Confident	89	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-71.4	-9.8	175.1	0	0	0	0	0	114.7	W387 L388 E389 V403 R419 L423	W387-A391 VanDerWaalsContact O-CB 3.3Å; W387-A391 WeakPolarHBondContact O-CB 3.35Å; W387-A391 PolarHBondContact O-N 2.81Å; L388-A391 CarbonylContact O-C 3.57Å; L388-A391 PolarHBondContact O-N 2.86Å; E389-A391 VanDerWaalsContact C-N 3.35Å; E389-A391 PolarHBondContact O-N 2.98Å; A391-V403 HydrophobicContact CB-CG2 3.46Å; A391-V403 VanDerWaalsContact CB-CG2 3.46Å; A391-R419 HydrophobicContact CB-CG 3.94Å; A391-R419 PolarHBondContact O-NE 3.41Å; A391-R419 PolarHBondContact O-NH2 3.07Å; A391-L423 HydrophobicContact CB-CD1 4.26Å
392	R	92.5	Very high	89.2	Confident	94 Å²	94	45.9 Å²	45.9	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-97.3	-41.3	177.6	-170	-170.7	63.9	75.8	3.5	112.4	E361 L388 E389 A390	E361-R392 IonicContact OE1-CZ 2.66Å; E361-R392 IonicContact OE1-NH1 3.02Å; E361-R392 PolarHBondContact OE1-NH1 3.08Å; E361-R392 IonicContact OE1-NH2 3.78Å; E361-R392 PolarHBondContact OE1-NH2 3.29Å; E361-R392 IonicContact OE2-CZ 3.13Å; E361-R392 IonicContact OE2-NH1 3.65Å; E361-R392 PolarHBondContact OE2-NH1 2.88Å; E361-R392 IonicContact OE2-NH2 2.77Å; E361-R392 PolarHBondContact OE2-NH2 2.99Å; L388-R392 WeakPolarHBondContact O-CB 3.39Å; L388-R392 PolarHBondContact O-N 3.45Å; E389-R392 PolarHBondContact O-N 3.37Å; E389-R392 VanDerWaalsContact O-N 3.12Å; E389-R392 IonicContact OE1-NE 3.13Å; E389-R392 IonicContact OE2-CZ 2.73Å; E389-R392 VanDerWaalsContact OE2-CZ 3.22Å; E389-R392 IonicContact OE2-NE 3.27Å; E389-R392 PolarHBondContact OE2-NE 3.5Å; E389-R392 IonicContact OE2-NH2 2.66Å; E389-R392 PolarHBondContact OE2-NH2 2.91Å; A390-R392 PolarHBondContact O-N 3.09Å
393	L	90.1	Very high	89.4	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-82	-21.2	-176.4	-76.6	167.5	0	0	0	113.9	A357 E361 L366 A369 R370 I373 E389	A357-L393 HydrophobicContact CB-CD1 4Å; E361-L393 HydrophobicContact CB-CD2 4.05Å; E361-L393 HydrophobicContact CG-CD2 4.1Å; L366-L393 HydrophobicContact CD2-CD2 4.32Å; A369-L393 HydrophobicContact CB-CD1 4.44Å; R370-L393 HydrophobicContact CG-CB 4.5Å; R370-L393 PolarHBondContact NE-O 3.05Å; I373-L393 HydrophobicContact CD1-CB 3.37Å; I373-L393 HydrophobicContact CD1-CD1 3.5Å; I373-L393 VanDerWaalsContact CD1-CD1 3.5Å; I373-L393 HydrophobicContact CD1-CG 4.05Å; I373-L393 HydrophobicContact CG2-CD1 3.83Å; E389-L393 PolarHBondContact O-N 3.1Å
394	Q	89.3	Confident	89.3	Confident	30 Å²	30	39.5 Å²	39.5	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-82.4	146.7	177.4	-67.2	-67.1	-4	0	0	112.1	A390 A399 V402	A390-Q394 WeakPolarHBondContact O-CB 3.14Å; A390-Q394 WeakPolarHBondContact O-CG 3.47Å; A390-Q394 PolarHBondContact O-N 2.84Å; Q394-A399 HydrophobicContact CB-CB 4.03Å; Q394-V402 HydrophobicContact CG-CG2 4.3Å
395	P	89.4	Confident	89.4	Confident	63 Å²	63	41.2 Å²	41.2	41%	0.409	24%	0.236	S	C	.	.			trans	-53.9	150.3	167.4	-25.3	34.7	0	0	0	112.4	D397 T398 A399	P395-D397 VanDerWaalsContact C-N 3.28Å; P395-D397 PolarHBondContact O-N 3.26Å; P395-T398 WeakPolarHBondContact CD-OG1 3.31Å; P395-T398 PolarHBondContact O-N 3.43Å; P395-T398 VanDerWaalsContact O-N 3.13Å; P395-T398 PolarHBondContact O-OG1 2.99Å; P395-T398 VanDerWaalsContact O-OG1 3.14Å; P395-A399 VanDerWaalsContact O-CB 3.31Å; P395-A399 WeakPolarHBondContact O-CB 3.42Å; P395-A399 PolarHBondContact O-N 2.91Å
396	G	82	Confident	89.3	Confident	36 Å²	36	37.8 Å²	37.8	37%	0.371	22%	0.217	S	C	.	.	H	α-helix	trans	-51.8	-38.4	-168.5	0	0	0	0	0	115.6	K400	G396-K400 WeakPolarHBondContact O-CG 3.5Å; G396-K400 PolarHBondContact O-N 3.13Å
397	D	85.8	Confident	89.1	Confident	121 Å²	121	39.2 Å²	39.2	65%	0.647	23%	0.226	S	C	*	.	H	α-helix	trans	-78.7	-36.2	-178.2	-61.6	-48.8	0	0	0	114	P395 K400	P395-D397 VanDerWaalsContact C-N 3.28Å; P395-D397 PolarHBondContact O-N 3.26Å; D397-K400 IonicContact OD1-NZ 3.54Å; D397-K400 PolarHBondContact OD1-NZ 2.85Å
398	T	89.1	Confident	88.9	Confident	70 Å²	70	49.3 Å²	49.3	43%	0.429	26%	0.264	S	S	.	.	H	α-helix	trans	-75.5	-30.4	171.9	57.7	0	0	0	0	111.2	P395 K400 A401 V402	P395-T398 WeakPolarHBondContact CD-OG1 3.31Å; P395-T398 PolarHBondContact O-N 3.43Å; P395-T398 VanDerWaalsContact O-N 3.13Å; P395-T398 PolarHBondContact O-OG1 2.99Å; P395-T398 VanDerWaalsContact O-OG1 3.14Å; T398-K400 VanDerWaalsContact C-N 3.31Å; T398-K400 PolarHBondContact O-N 3.14Å; T398-A401 WeakPolarHBondContact O-CB 3.13Å; T398-A401 PolarHBondContact O-N 3.4Å; T398-A401 VanDerWaalsContact O-N 3.12Å; T398-V402 WeakPolarHBondContact O-CG2 3.35Å; T398-V402 PolarHBondContact O-N 3.38Å
399	A	90.1	Very high	88.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-37.3	172.3	0	0	0	0	0	112.1	Q394 P395 A401 V402 V403 L423	Q394-A399 HydrophobicContact CB-CB 4.03Å; P395-A399 VanDerWaalsContact O-CB 3.31Å; P395-A399 WeakPolarHBondContact O-CB 3.42Å; P395-A399 PolarHBondContact O-N 2.91Å; A399-A401 VanDerWaalsContact C-N 3.33Å; A399-A401 PolarHBondContact O-N 3.35Å; A399-V402 PolarHBondContact O-N 3.38Å; A399-V403 WeakPolarHBondContact O-CB 3.37Å; A399-V403 WeakPolarHBondContact O-CG2 3.34Å; A399-V403 PolarHBondContact O-N 3.3Å; A399-L423 HydrophobicContact CB-CD1 3.72Å; A399-L423 HydrophobicContact CB-CD2 3.88Å; A399-L423 HydrophobicContact CB-CG 4.46Å
400	K	88.5	Confident	88.7	Confident	80 Å²	80	53.1 Å²	53.1	35%	0.348	28%	0.282	S	S	.	.	H	α-helix	trans	-58.8	-42.1	171.9	-68.8	161.8	-163.5	166.1	0	112	G396 D397 T398 V403 A404 L423	G396-K400 WeakPolarHBondContact O-CG 3.5Å; G396-K400 PolarHBondContact O-N 3.13Å; D397-K400 IonicContact OD1-NZ 3.54Å; D397-K400 PolarHBondContact OD1-NZ 2.85Å; T398-K400 VanDerWaalsContact C-N 3.31Å; T398-K400 PolarHBondContact O-N 3.14Å; K400-V403 PolarHBondContact O-N 2.96Å; K400-A404 WeakPolarHBondContact O-CB 3.26Å; K400-A404 PolarHBondContact O-N 3.17Å; K400-L423 VanDerWaalsContact CE-O 3.25Å; K400-L423 WeakPolarHBondContact CE-O 3.45Å
401	A	89.6	Confident	88.4	Confident	55 Å²	55	56 Å²	56	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-68	-40.3	176.9	0	0	0	0	0	112.4	T398 A399 A404 Q405	T398-A401 WeakPolarHBondContact O-CB 3.13Å; T398-A401 PolarHBondContact O-N 3.4Å; T398-A401 VanDerWaalsContact O-N 3.12Å; A399-A401 VanDerWaalsContact C-N 3.33Å; A399-A401 PolarHBondContact O-N 3.35Å; A401-A404 WeakPolarHBondContact O-CB 3.2Å; A401-A404 PolarHBondContact O-N 3.48Å; A401-Q405 WeakPolarHBondContact O-CG 3.48Å; A401-Q405 PolarHBondContact O-N 3.03Å
402	V	90.1	Very high	88.2	Confident	8 Å²	8	63.6 Å²	63.6	5%	0.048	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-43.3	173.2	169.8	0	0	0	0	111.2	M374 W387 A390 Q394 T398 A399 Q405 A406	M374-V402 HydrophobicContact CE-CG2 4.03Å; M374-V402 HydrophobicContact SD-CG2 3.59Å; M374-V402 VanDerWaalsContact SD-CG2 3.59Å; W387-V402 HydrophobicContact CE3-CG1 3.85Å; W387-V402 HydrophobicContact CZ3-CG1 4.05Å; W387-V402 WeakPolarHBondContact CZ3-O 3.35Å; A390-V402 HydrophobicContact CB-CG1 3.55Å; Q394-V402 HydrophobicContact CG-CG2 4.3Å; T398-V402 WeakPolarHBondContact O-CG2 3.35Å; T398-V402 PolarHBondContact O-N 3.38Å; A399-V402 PolarHBondContact O-N 3.38Å; V402-Q405 WeakPolarHBondContact O-CB 3.23Å; V402-Q405 PolarHBondContact O-N 3.44Å; V402-A406 WeakPolarHBondContact O-CB 3.3Å; V402-A406 PolarHBondContact O-N 2.91Å
403	V	89.1	Confident	88	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-36.3	175.7	168.4	0	0	0	0	111.9	A391 A399 K400 Q405 A406 V407 I416 A420 L423	A391-V403 HydrophobicContact CB-CG2 3.46Å; A391-V403 VanDerWaalsContact CB-CG2 3.46Å; A399-V403 WeakPolarHBondContact O-CB 3.37Å; A399-V403 WeakPolarHBondContact O-CG2 3.34Å; A399-V403 PolarHBondContact O-N 3.3Å; K400-V403 PolarHBondContact O-N 2.96Å; V403-Q405 VanDerWaalsContact C-N 3.32Å; V403-Q405 PolarHBondContact O-N 3.36Å; V403-A406 WeakPolarHBondContact O-CB 3.32Å; V403-A406 PolarHBondContact O-N 3.26Å; V403-A406 VanDerWaalsContact O-N 3.16Å; V403-V407 WeakPolarHBondContact O-CG2 3.06Å; V403-V407 PolarHBondContact O-N 2.64Å; V403-I416 HydrophobicContact CG1-CG2 4.06Å; V403-A420 HydrophobicContact CG1-CB 3.5Å; V403-A420 VanDerWaalsContact CG1-CB 3.5Å; V403-L423 HydrophobicContact CG2-CD1 3.8Å
404	A	87.7	Confident	87.9	Confident	61 Å²	61	60.2 Å²	60.2	50%	0.504	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-36.1	173.2	0	0	0	0	0	112.6	K400 A401 V407 R408	K400-A404 WeakPolarHBondContact O-CB 3.26Å; K400-A404 PolarHBondContact O-N 3.17Å; A401-A404 WeakPolarHBondContact O-CB 3.2Å; A401-A404 PolarHBondContact O-N 3.48Å; A404-V407 WeakPolarHBondContact O-CG2 3.44Å; A404-R408 PolarHBondContact O-N 2.89Å
405	Q	89.1	Confident	87.9	Confident	93 Å²	93	63.1 Å²	63.1	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-68.3	-43.6	169.6	-67.6	173	-8.5	0	0	111.2	W387 A401 V402 V403 V407 R408 H409	W387-Q405 HydrophobicContact CH2-CB 3.72Å; W387-Q405 HydrophobicContact CZ3-CB 3.74Å; A401-Q405 WeakPolarHBondContact O-CG 3.48Å; A401-Q405 PolarHBondContact O-N 3.03Å; V402-Q405 WeakPolarHBondContact O-CB 3.23Å; V402-Q405 PolarHBondContact O-N 3.44Å; V403-Q405 VanDerWaalsContact C-N 3.32Å; V403-Q405 PolarHBondContact O-N 3.36Å; Q405-V407 PolarHBondContact O-N 3.24Å; Q405-R408 WeakPolarHBondContact O-CB 3.23Å; Q405-R408 PolarHBondContact O-N 2.84Å; Q405-R408 VanDerWaalsContact O-N 3.11Å; Q405-H409 PolarHBondContact O-CD2 3.11Å; Q405-H409 VanDerWaalsContact O-CD2 3.24Å; Q405-H409 PolarHBondContact O-N 3.45Å; Q405-H409 VanDerWaalsContact O-N 3.13Å
406	A	89.8	Confident	87.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-47.9	179.9	0	0	0	0	0	112.7	W387 V402 V403 R408 H409 L410 I416	W387-A406 HydrophobicContact CB-CB 3.66Å; W387-A406 HydrophobicContact CD2-CB 3.47Å; W387-A406 VanDerWaalsContact CD2-CB 3.47Å; W387-A406 HydrophobicContact CE3-CB 3.53Å; W387-A406 HydrophobicContact CG-CB 3.55Å; W387-A406 HydrophobicContact CZ3-CB 4.32Å; V402-A406 WeakPolarHBondContact O-CB 3.3Å; V402-A406 PolarHBondContact O-N 2.91Å; V403-A406 WeakPolarHBondContact O-CB 3.32Å; V403-A406 PolarHBondContact O-N 3.26Å; V403-A406 VanDerWaalsContact O-N 3.16Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 PolarHBondContact O-N 3.16Å; A406-H409 PolarHBondContact O-N 3.12Å; A406-H409 VanDerWaalsContact O-N 3.16Å; A406-L410 PolarHBondContact O-N 3.11Å; A406-I416 HydrophobicContact CB-CD1 4.06Å; A406-I416 HydrophobicContact CB-CG2 3.79Å
407	V	87.7	Confident	88.3	Confident	33 Å²	33	59.3 Å²	59.3	20%	0.2	30%	0.302	C	S	.	.	H	α-helix	trans	-68.6	-23.5	177.4	-59.6	0	0	0	0	113.1	V403 A404 Q405 L410 P411 I416 Y417	V403-V407 WeakPolarHBondContact O-CG2 3.06Å; V403-V407 PolarHBondContact O-N 2.64Å; A404-V407 WeakPolarHBondContact O-CG2 3.44Å; Q405-V407 PolarHBondContact O-N 3.24Å; V407-L410 CarbonylContact O-C 3.55Å; V407-P411 WeakPolarHBondContact O-CA 3.5Å; V407-I416 HydrophobicContact CG1-CG2 3.57Å; V407-Y417 HydrophobicContact CB-CE1 4.14Å; V407-Y417 HydrophobicContact CG1-CD1 4.04Å; V407-Y417 HydrophobicContact CG1-CE1 3.57Å; V407-Y417 HydrophobicContact CG1-CE2 4.26Å
408	R	88.9	Confident	88.5	Confident	219 Å²	219	54.3 Å²	54.3	83%	0.826	28%	0.275	S	S	*	.	H	α-helix	trans	-71.3	-33.5	172.5	-173.6	179.3	-178.1	174.5	1.4	111.9	A404 Q405 A406	A404-R408 PolarHBondContact O-N 2.89Å; Q405-R408 WeakPolarHBondContact O-CB 3.23Å; Q405-R408 PolarHBondContact O-N 2.84Å; Q405-R408 VanDerWaalsContact O-N 3.11Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 PolarHBondContact O-N 3.16Å
409	H	86.9	Confident	88.5	Confident	103 Å²	103	54 Å²	54	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-84.8	-32.2	174.5	-71.9	-70.4	0	0	0	113.2	W387 Q405 A406	W387-H409 AromaticContact CZ2-CD2 3.54Å; Q405-H409 PolarHBondContact O-CD2 3.11Å; Q405-H409 VanDerWaalsContact O-CD2 3.24Å; Q405-H409 PolarHBondContact O-N 3.45Å; Q405-H409 VanDerWaalsContact O-N 3.13Å; A406-H409 PolarHBondContact O-N 3.12Å; A406-H409 VanDerWaalsContact O-N 3.16Å
410	L	86.7	Confident	88.4	Confident	31 Å²	31	54.6 Å²	54.6	16%	0.162	27%	0.271	C	S	.	.			trans	-134.6	69.9	-173.3	-66.4	173.5	0	0	0	111.6	E384 A406 V407 Q412 S413 I416	E384-L410 HydrophobicContact CG-CD1 4.04Å; A406-L410 PolarHBondContact O-N 3.11Å; V407-L410 CarbonylContact O-C 3.55Å; L410-Q412 PolarHBondContact O-N 3.34Å; L410-S413 PolarHBondContact O-N 3.37Å; L410-I416 HydrophobicContact CB-CD1 4.05Å; L410-I416 HydrophobicContact CD1-CD1 4.04Å
411	P	84.7	Confident	88.3	Confident	59 Å²	59	51.2 Å²	51.2	38%	0.383	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.2	-177.9	28.9	-36.6	0	0	0	113.7	V407 Y417 N440 V441	V407-P411 WeakPolarHBondContact O-CA 3.5Å; P411-Y417 WeakPolarHBondContact O-CE2 3.44Å; P411-N440 WeakPolarHBondContact O-CB 3.25Å; P411-V441 WeakPolarHBondContact O-CG2 3.41Å
412	Q	85.2	Confident	88.2	Confident	161 Å²	161	53.6 Å²	53.6	75%	0.752	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	0.9	177.9	-67.7	-174.2	-7.1	0	0	113.9	L410 V414	L410-Q412 PolarHBondContact O-N 3.34Å; Q412-V414 PolarHBondContact O-N 2.91Å
413	S	87.9	Confident	88.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	26%	0.264	C	S	.	.			trans	-84.5	105.5	-173.6	-172.5	0	0	0	0	113.8	E384 L410 R415 I416 Y417	E384-S413 WeakPolarHBondContact CG-OG 3.28Å; E384-S413 WeakPolarHBondContact OE1-CA 3.38Å; E384-S413 WeakPolarHBondContact OE1-CB 3.44Å; E384-S413 PolarHBondContact OE1-OG 3.43Å; L410-S413 PolarHBondContact O-N 3.37Å; S413-R415 VanDerWaalsContact C-N 3.3Å; S413-R415 PolarHBondContact O-N 3.28Å; S413-I416 PolarHBondContact O-N 3.3Å; S413-I416 WeakPolarHBondContact OG-CG1 3.49Å; S413-Y417 WeakPolarHBondContact O-CD2 3.08Å; S413-Y417 PolarHBondContact O-N 3Å
414	V	88.1	Confident	88	Confident	32 Å²	32	55.8 Å²	55.8	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-55.9	-42.4	174.5	172	0	0	0	0	112.5	Q412 I416 Y417 I418 V441 S444 R446 L447	Q412-V414 PolarHBondContact O-N 2.91Å; V414-I416 PolarHBondContact O-N 3.34Å; V414-Y417 PolarHBondContact O-N 3.05Å; V414-I418 HydrophobicContact CG1-CD1 3.76Å; V414-I418 WeakPolarHBondContact O-CG1 3.42Å; V414-I418 PolarHBondContact O-N 2.98Å; V414-I418 VanDerWaalsContact O-N 3.16Å; V414-V441 HydrophobicContact CG2-CG1 3.88Å; V414-S444 WeakPolarHBondContact CG2-OG 3.33Å; V414-R446 HydrophobicContact CG1-CB 4.11Å; V414-L447 HydrophobicContact CG1-CD2 4.09Å; V414-L447 HydrophobicContact CG1-CG 3.98Å; V414-L447 HydrophobicContact CG2-CG 4.44Å
415	R	89.1	Confident	87.9	Confident	90 Å²	90	58.4 Å²	58.4	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-68.7	-37	-172.9	-61.6	-171.1	-69.5	155.1	-4.2	112	E384 D385 L388 S413 I418 R419	E384-R415 IonicContact OE2-CZ 2.71Å; E384-R415 IonicContact OE2-NE 2.68Å; E384-R415 PolarHBondContact OE2-NE 3.43Å; E384-R415 IonicContact OE2-NH2 3.89Å; E384-R415 PolarHBondContact OE2-NH2 3.19Å; D385-R415 IonicContact OD1-CZ 2.79Å; D385-R415 IonicContact OD1-NH1 3.25Å; D385-R415 PolarHBondContact OD1-NH1 3.38Å; D385-R415 IonicContact OD1-NH2 3.48Å; D385-R415 PolarHBondContact OD1-NH2 3.03Å; D385-R415 IonicContact OD2-NH2 3.26Å; L388-R415 HydrophobicContact CD1-CB 3.81Å; L388-R415 HydrophobicContact CD2-CB 4.27Å; S413-R415 VanDerWaalsContact C-N 3.3Å; S413-R415 PolarHBondContact O-N 3.28Å; R415-I418 PolarHBondContact O-N 3.09Å; R415-R419 PolarHBondContact O-N 2.93Å
416	I	90.8	Very high	88	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-41.9	178.4	-64.2	173.2	0	0	0	110.5	W387 L388 V403 A406 V407 L410 S413 V414 R419 A420	W387-I416 HydrophobicContact CB-CD1 4.2Å; L388-I416 HydrophobicContact CD2-CG1 4.18Å; L388-I416 HydrophobicContact CG-CG1 4.44Å; V403-I416 HydrophobicContact CG1-CG2 4.06Å; A406-I416 HydrophobicContact CB-CD1 4.06Å; A406-I416 HydrophobicContact CB-CG2 3.79Å; V407-I416 HydrophobicContact CG1-CG2 3.57Å; L410-I416 HydrophobicContact CB-CD1 4.05Å; L410-I416 HydrophobicContact CD1-CD1 4.04Å; S413-I416 PolarHBondContact O-N 3.3Å; S413-I416 WeakPolarHBondContact OG-CG1 3.49Å; V414-I416 PolarHBondContact O-N 3.34Å; I416-R419 PolarHBondContact O-N 3.42Å; I416-A420 WeakPolarHBondContact O-CB 3.45Å; I416-A420 PolarHBondContact O-N 3.16Å
417	Y	90.6	Very high	88	Confident	16 Å²	16	63.6 Å²	63.6	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-34.6	176.6	-75.4	-66.2	0	0	0	114.2	V407 P411 S413 V414 A420 A421 A437 N440	V407-Y417 HydrophobicContact CB-CE1 4.14Å; V407-Y417 HydrophobicContact CG1-CD1 4.04Å; V407-Y417 HydrophobicContact CG1-CE1 3.57Å; V407-Y417 HydrophobicContact CG1-CE2 4.26Å; P411-Y417 WeakPolarHBondContact O-CE2 3.44Å; S413-Y417 WeakPolarHBondContact O-CD2 3.08Å; S413-Y417 PolarHBondContact O-N 3Å; V414-Y417 PolarHBondContact O-N 3.05Å; Y417-A420 VanDerWaalsContact O-CB 3.3Å; Y417-A420 WeakPolarHBondContact O-CB 3.22Å; Y417-A420 PolarHBondContact O-N 3.3Å; Y417-A421 PolarHBondContact O-N 3.19Å; Y417-A437 VanDerWaalsContact CB-CB 3.46Å; Y417-A437 HydrophobicContact CD1-CB 3.47Å; Y417-A437 VanDerWaalsContact CD1-CB 3.47Å; Y417-A437 HydrophobicContact CD2-CB 3.75Å; Y417-A437 HydrophobicContact CE1-CB 4.13Å; Y417-A437 HydrophobicContact CE2-CB 4.37Å; Y417-A437 HydrophobicContact CG-CB 3.27Å; Y417-N440 PolarHBondContact OH-ND2 2.88Å
418	I	89.6	Confident	88.1	Confident	16 Å²	16	72.2 Å²	72.2	8%	0.082	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-44.7	173.4	-65.1	168.6	0	0	0	109.5	V414 R415 A420 A421 E422 R446 L447	V414-I418 HydrophobicContact CG1-CD1 3.76Å; V414-I418 WeakPolarHBondContact O-CG1 3.42Å; V414-I418 PolarHBondContact O-N 2.98Å; V414-I418 VanDerWaalsContact O-N 3.16Å; R415-I418 PolarHBondContact O-N 3.09Å; I418-A420 VanDerWaalsContact C-N 3.25Å; I418-A420 PolarHBondContact O-N 3.35Å; I418-A421 PolarHBondContact O-N 3.2Å; I418-A421 VanDerWaalsContact O-N 3.08Å; I418-E422 WeakPolarHBondContact O-CG 3.25Å; I418-E422 PolarHBondContact O-N 3.36Å; I418-R446 HydrophobicContact CD1-CB 4.14Å; I418-R446 VanDerWaalsContact CD1-CD 3.41Å; I418-R446 HydrophobicContact CD1-CG 3.5Å; I418-R446 VanDerWaalsContact CD1-CG 3.5Å; I418-R446 VanDerWaalsContact CD1-NE 3.33Å; I418-L447 HydrophobicContact CD1-CD2 4.29Å; I418-L447 HydrophobicContact CG1-CD2 3.74Å
419	R	87.7	Confident	88.1	Confident	63 Å²	63	62.2 Å²	62.2	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-33.6	174.7	-173.8	56.3	-176	168.8	6.3	112.5	L388 A391 R415 I416 E422 L423	L388-R419 HydrophobicContact CD2-CB 3.83Å; L388-R419 HydrophobicContact CD2-CG 4.3Å; A391-R419 HydrophobicContact CB-CG 3.94Å; A391-R419 PolarHBondContact O-NE 3.41Å; A391-R419 PolarHBondContact O-NH2 3.07Å; R415-R419 PolarHBondContact O-N 2.93Å; I416-R419 PolarHBondContact O-N 3.42Å; R419-E422 WeakPolarHBondContact CD-OE2 3.35Å; R419-E422 IonicContact CZ-OE2 2.7Å; R419-E422 IonicContact NE-OE2 2.71Å; R419-E422 IonicContact NH1-OE2 3.41Å; R419-E422 PolarHBondContact NH1-OE2 3.04Å; R419-E422 PolarHBondContact O-N 3.12Å; R419-L423 HydrophobicContact CG-CD1 4.33Å; R419-L423 VanDerWaalsContact O-CG 3.29Å; R419-L423 WeakPolarHBondContact O-CG 3.39Å; R419-L423 PolarHBondContact O-N 3.12Å; R419-L423 VanDerWaalsContact O-N 3.1Å
420	A	88.1	Confident	88.2	Confident	13 Å²	13	59.6 Å²	59.6	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-46.8	171.6	0	0	0	0	0	111.6	V403 I416 Y417 I418 E422 L423 E424 V433	V403-A420 HydrophobicContact CG1-CB 3.5Å; V403-A420 VanDerWaalsContact CG1-CB 3.5Å; I416-A420 WeakPolarHBondContact O-CB 3.45Å; I416-A420 PolarHBondContact O-N 3.16Å; Y417-A420 VanDerWaalsContact O-CB 3.3Å; Y417-A420 WeakPolarHBondContact O-CB 3.22Å; Y417-A420 PolarHBondContact O-N 3.3Å; I418-A420 VanDerWaalsContact C-N 3.25Å; I418-A420 PolarHBondContact O-N 3.35Å; A420-E422 VanDerWaalsContact C-N 3.34Å; A420-E422 PolarHBondContact O-N 3.3Å; A420-L423 PolarHBondContact O-N 3.06Å; A420-E424 PolarHBondContact O-N 2.92Å; A420-V433 HydrophobicContact CB-CG1 3.55Å
421	A	87.3	Confident	88.3	Confident	10 Å²	10	59.9 Å²	59.9	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-69.9	-26.8	178.1	0	0	0	0	0	113.3	Y417 I418 K430 L434	Y417-A421 PolarHBondContact O-N 3.19Å; I418-A421 PolarHBondContact O-N 3.2Å; I418-A421 VanDerWaalsContact O-N 3.08Å; A421-K430 HydrophobicContact CB-CB 4.49Å; A421-K430 VanDerWaalsContact O-CD 3.28Å; A421-K430 WeakPolarHBondContact O-CD 3.45Å; A421-K430 WeakPolarHBondContact O-CE 3.38Å; A421-K430 WeakPolarHBondContact O-CG 3.44Å; A421-K430 PolarHBondContact O-NZ 3.49Å; A421-L434 HydrophobicContact CB-CD1 3.82Å; A421-L434 HydrophobicContact CB-CD2 4.02Å; A421-L434 HydrophobicContact CB-CG 3.82Å
422	E	88.4	Confident	88.5	Confident	104 Å²	104	65 Å²	65	49%	0.486	30%	0.301	S	S	.	.	H	α-helix	trans	-71	-33.7	170.9	-71.6	170.3	-166.3	0	0	113	I418 R419 A420 E424	I418-E422 WeakPolarHBondContact O-CG 3.25Å; I418-E422 PolarHBondContact O-N 3.36Å; R419-E422 WeakPolarHBondContact CD-OE2 3.35Å; R419-E422 IonicContact CZ-OE2 2.7Å; R419-E422 IonicContact NE-OE2 2.71Å; R419-E422 IonicContact NH1-OE2 3.41Å; R419-E422 PolarHBondContact NH1-OE2 3.04Å; R419-E422 PolarHBondContact O-N 3.12Å; A420-E422 VanDerWaalsContact C-N 3.34Å; A420-E422 PolarHBondContact O-N 3.3Å; E422-E424 VanDerWaalsContact C-N 3.33Å
423	L	87.3	Confident	88.7	Confident	24 Å²	24	58.6 Å²	58.6	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-78.8	-13.5	-178.3	-75.1	170.4	0	0	0	114.1	A391 A399 K400 V403 R419 A420	A391-L423 HydrophobicContact CB-CD1 4.26Å; A399-L423 HydrophobicContact CB-CD1 3.72Å; A399-L423 HydrophobicContact CB-CD2 3.88Å; A399-L423 HydrophobicContact CB-CG 4.46Å; K400-L423 VanDerWaalsContact CE-O 3.25Å; K400-L423 WeakPolarHBondContact CE-O 3.45Å; V403-L423 HydrophobicContact CG2-CD1 3.8Å; R419-L423 HydrophobicContact CG-CD1 4.33Å; R419-L423 VanDerWaalsContact O-CG 3.29Å; R419-L423 WeakPolarHBondContact O-CG 3.39Å; R419-L423 PolarHBondContact O-N 3.12Å; R419-L423 VanDerWaalsContact O-N 3.1Å; A420-L423 PolarHBondContact O-N 3.06Å
424	E	86.4	Confident	88.7	Confident	39 Å²	39	58.7 Å²	58.7	18%	0.182	27%	0.274	C	S	.	.			trans	-89.4	135.7	172.1	-67.9	-177.7	143.4	0	0	110.1	A420 E422 A429 K430 V433	A420-E424 PolarHBondContact O-N 2.92Å; E422-E424 VanDerWaalsContact C-N 3.33Å; E424-A429 HydrophobicContact CB-CB 4.11Å; E424-A429 VanDerWaalsContact CD-CB 3.43Å; E424-A429 HydrophobicContact CG-CB 4.15Å; E424-A429 WeakPolarHBondContact OE2-CB 3.38Å; E424-A429 VanDerWaalsContact OE2-O 3.13Å; E424-K430 HydrophobicContact CB-CG 4.03Å; E424-K430 WeakPolarHBondContact O-CE 3.42Å; E424-K430 PolarHBondContact O-NZ 2.8Å; E424-K430 VanDerWaalsContact OE2-CA 3.31Å; E424-K430 WeakPolarHBondContact OE2-CA 3.28Å; E424-K430 PolarHBondContact OE2-N 2.62Å; E424-V433 VanDerWaalsContact CD-CG2 3.48Å; E424-V433 WeakPolarHBondContact OE1-CG2 3.41Å; E424-V433 WeakPolarHBondContact OE2-CG2 3.33Å
425	T	85.6	Confident	88.8	Confident	117 Å²	117	63.3 Å²	63.3	72%	0.718	29%	0.287	S	S	*	.			trans	-78.8	-36.7	173.2	44.6	0	0	0	0	111.2
426	D	91.9	Very high	88.7	Confident	100 Å²	100	65.3 Å²	65.3	54%	0.535	30%	0.299	S	S	.	.			trans	-90.6	124.3	-164	-52.8	-7.3	0	0	0	111.1	R428 A429 K430	D426-R428 PolarHBondContact O-N 3.19Å; D426-R428 VanDerWaalsContact O-N 3.14Å; D426-A429 HydrophobicContact CB-CB 4.1Å; D426-A429 WeakPolarHBondContact O-CA 3.23Å; D426-A429 WeakPolarHBondContact O-CB 3.44Å; D426-A429 PolarHBondContact O-N 2.86Å; D426-K430 PolarHBondContact O-N 3.32Å
427	I	90	Very high	88.6	Confident	101 Å²	101	65.1 Å²	65.1	52%	0.518	30%	0.298	S	S	.	.	H	α-helix	trans	-54.2	-38.6	179.8	-60.1	170.6	0	0	0	111.7	A429 K430 K431 L454	I427-A429 VanDerWaalsContact C-N 3.31Å; I427-A429 PolarHBondContact O-N 3.36Å; I427-K430 PolarHBondContact O-N 3.03Å; I427-K431 HydrophobicContact CG2-CD 4.32Å; I427-K431 HydrophobicContact CG2-CG 4.47Å; I427-K431 WeakPolarHBondContact O-CG 3.37Å; I427-K431 PolarHBondContact O-N 3.21Å; I427-L454 HydrophobicContact CG2-CB 4.46Å
428	R	89.1	Confident	88.4	Confident	214 Å²	214	65.1 Å²	65.1	81%	0.808	30%	0.299	S	S	*	.	H	α-helix	trans	-64.7	-32.1	176.3	-65.8	-179.2	-179.3	170.3	0.2	113.1	D426 R432	D426-R428 PolarHBondContact O-N 3.19Å; D426-R428 VanDerWaalsContact O-N 3.14Å; R428-R432 WeakPolarHBondContact O-CG 3.05Å; R428-R432 PolarHBondContact O-N 2.86Å; R428-R432 PolarHBondContact O-NE 3.47Å
429	A	88.8	Confident	88.3	Confident	9 Å²	9	71.8 Å²	71.8	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-71.9	-50	174	0	0	0	0	0	109.6	E424 D426 I427 K431 R432 V433	E424-A429 HydrophobicContact CB-CB 4.11Å; E424-A429 VanDerWaalsContact CD-CB 3.43Å; E424-A429 HydrophobicContact CG-CB 4.15Å; E424-A429 WeakPolarHBondContact OE2-CB 3.38Å; E424-A429 VanDerWaalsContact OE2-O 3.13Å; D426-A429 HydrophobicContact CB-CB 4.1Å; D426-A429 WeakPolarHBondContact O-CA 3.23Å; D426-A429 WeakPolarHBondContact O-CB 3.44Å; D426-A429 PolarHBondContact O-N 2.86Å; I427-A429 VanDerWaalsContact C-N 3.31Å; I427-A429 PolarHBondContact O-N 3.36Å; A429-K431 VanDerWaalsContact C-N 3.31Å; A429-K431 PolarHBondContact O-N 3.12Å; A429-R432 WeakPolarHBondContact O-CA 3.46Å; A429-R432 WeakPolarHBondContact O-CB 3.3Å; A429-R432 PolarHBondContact O-N 3.05Å; A429-V433 PolarHBondContact O-N 3.05Å
430	K	89.6	Confident	88.2	Confident	48 Å²	48	72.7 Å²	72.7	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-52.5	-47	178.2	-61.1	-172.2	-178.1	-161.4	0	112.4	A421 E424 D426 I427 R432 V433 L434 L454	A421-K430 HydrophobicContact CB-CB 4.49Å; A421-K430 VanDerWaalsContact O-CD 3.28Å; A421-K430 WeakPolarHBondContact O-CD 3.45Å; A421-K430 WeakPolarHBondContact O-CE 3.38Å; A421-K430 WeakPolarHBondContact O-CG 3.44Å; A421-K430 PolarHBondContact O-NZ 3.49Å; E424-K430 HydrophobicContact CB-CG 4.03Å; E424-K430 WeakPolarHBondContact O-CE 3.42Å; E424-K430 PolarHBondContact O-NZ 2.8Å; E424-K430 VanDerWaalsContact OE2-CA 3.31Å; E424-K430 WeakPolarHBondContact OE2-CA 3.28Å; E424-K430 PolarHBondContact OE2-N 2.62Å; D426-K430 PolarHBondContact O-N 3.32Å; I427-K430 PolarHBondContact O-N 3.03Å; K430-R432 VanDerWaalsContact C-N 3.33Å; K430-R432 PolarHBondContact O-N 3.42Å; K430-V433 PolarHBondContact O-N 2.78Å; K430-L434 WeakPolarHBondContact O-CB 3.3Å; K430-L434 WeakPolarHBondContact O-CG 3.43Å; K430-L434 PolarHBondContact O-N 3.08Å; K430-L454 HydrophobicContact CB-CD1 3.56Å; K430-L454 HydrophobicContact CD-CD1 4.13Å; K430-L454 HydrophobicContact CD-CD2 4.16Å; K430-L454 HydrophobicContact CG-CD1 4.49Å
431	K	89.1	Confident	88.1	Confident	38 Å²	38	73.1 Å²	73.1	17%	0.165	34%	0.34	C	S	.	.	H	α-helix	trans	-56.7	-42.8	174.9	-72.5	-179.9	-178.3	-163.5	0	112.1	I427 A429 R435 L454 E455	I427-K431 HydrophobicContact CG2-CD 4.32Å; I427-K431 HydrophobicContact CG2-CG 4.47Å; I427-K431 WeakPolarHBondContact O-CG 3.37Å; I427-K431 PolarHBondContact O-N 3.21Å; A429-K431 VanDerWaalsContact C-N 3.31Å; A429-K431 PolarHBondContact O-N 3.12Å; K431-R435 VanDerWaalsContact O-CB 3.27Å; K431-R435 WeakPolarHBondContact O-CB 3.49Å; K431-R435 WeakPolarHBondContact O-CD 3.46Å; K431-R435 WeakPolarHBondContact O-CG 3.09Å; K431-R435 PolarHBondContact O-N 2.7Å; K431-L454 WeakPolarHBondContact CE-O 3.24Å; K431-L454 HydrophobicContact CG-CB 4.35Å; K431-L454 PolarHBondContact NZ-O 2.99Å; K431-E455 VanDerWaalsContact CD-OE2 3.31Å; K431-E455 WeakPolarHBondContact CD-OE2 3.37Å; K431-E455 WeakPolarHBondContact CE-OE2 3.44Å; K431-E455 IonicContact NZ-OE2 3.45Å; K431-E455 PolarHBondContact NZ-OE2 3.01Å
432	R	88.8	Confident	87.8	Confident	165 Å²	165	75 Å²	75	62%	0.623	35%	0.353	S	S	*	.	H	α-helix	trans	-68	-40.8	176.8	-68.9	-178.9	-58.9	-175.7	3.8	112.4	R428 A429 K430 K436	R428-R432 WeakPolarHBondContact O-CG 3.05Å; R428-R432 PolarHBondContact O-N 2.86Å; R428-R432 PolarHBondContact O-NE 3.47Å; A429-R432 WeakPolarHBondContact O-CA 3.46Å; A429-R432 WeakPolarHBondContact O-CB 3.3Å; A429-R432 PolarHBondContact O-N 3.05Å; K430-R432 VanDerWaalsContact C-N 3.33Å; K430-R432 PolarHBondContact O-N 3.42Å; R432-K436 WeakPolarHBondContact O-CG 3.41Å; R432-K436 PolarHBondContact O-N 3.08Å; R432-K436 VanDerWaalsContact O-N 3.13Å
433	V	89.6	Confident	87.7	Confident	27 Å²	27	78.6 Å²	78.6	16%	0.164	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-45	177.2	165.4	0	0	0	0	111.3	A420 E424 A429 K430 K436 A437	A420-V433 HydrophobicContact CB-CG1 3.55Å; E424-V433 VanDerWaalsContact CD-CG2 3.48Å; E424-V433 WeakPolarHBondContact OE1-CG2 3.41Å; E424-V433 WeakPolarHBondContact OE2-CG2 3.33Å; A429-V433 PolarHBondContact O-N 3.05Å; K430-V433 PolarHBondContact O-N 2.78Å; V433-K436 PolarHBondContact O-N 3.28Å; V433-A437 WeakPolarHBondContact O-CB 3.32Å; V433-A437 PolarHBondContact O-N 3.18Å
434	L	87.8	Confident	87.6	Confident	3 Å²	3	78.1 Å²	78.1	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-72.3	-33.6	179.7	-69.5	164.2	0	0	0	112.5	A421 K430 A437 L438 L447 A450 A451 L454	A421-L434 HydrophobicContact CB-CD1 3.82Å; A421-L434 HydrophobicContact CB-CD2 4.02Å; A421-L434 HydrophobicContact CB-CG 3.82Å; K430-L434 WeakPolarHBondContact O-CB 3.3Å; K430-L434 WeakPolarHBondContact O-CG 3.43Å; K430-L434 PolarHBondContact O-N 3.08Å; L434-A437 WeakPolarHBondContact O-CB 3.49Å; L434-A437 PolarHBondContact O-N 2.93Å; L434-A437 VanDerWaalsContact O-N 3.17Å; L434-L438 WeakPolarHBondContact O-CB 3.4Å; L434-L438 VanDerWaalsContact O-CG 3.28Å; L434-L438 WeakPolarHBondContact O-CG 3.2Å; L434-L438 PolarHBondContact O-N 3.47Å; L434-L447 HydrophobicContact CD2-CD2 4.12Å; L434-A450 HydrophobicContact CD1-CB 4.39Å; L434-A450 WeakPolarHBondContact CD1-O 3.2Å; L434-A450 HydrophobicContact CD2-CB 4.29Å; L434-A451 HydrophobicContact CB-CB 4.13Å; L434-L454 HydrophobicContact CD1-CD1 3.52Å
435	R	88.8	Confident	87.7	Confident	129 Å²	129	78.4 Å²	78.4	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-43.1	170.2	-72.8	169.2	-168.7	-158.7	3	111.6	K431 A437 L438 E439 E455	K431-R435 VanDerWaalsContact O-CB 3.27Å; K431-R435 WeakPolarHBondContact O-CB 3.49Å; K431-R435 WeakPolarHBondContact O-CD 3.46Å; K431-R435 WeakPolarHBondContact O-CG 3.09Å; K431-R435 PolarHBondContact O-N 2.7Å; R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 3.4Å; R435-L438 PolarHBondContact O-N 3.29Å; R435-E439 PolarHBondContact O-N 3.45Å; R435-E455 IonicContact CZ-OE1 2.69Å; R435-E455 IonicContact NE-OE1 3.37Å; R435-E455 PolarHBondContact NE-OE1 2.92Å; R435-E455 IonicContact NH2-OE1 3.5Å; R435-E455 PolarHBondContact NH2-OE1 3.48Å; R435-E455 IonicContact NH2-OE2 3.55Å
436	K	87.3	Confident	87.9	Confident	132 Å²	132	79.7 Å²	79.7	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-63.9	-34.1	171.2	-71.7	175.7	177.3	-174	0	113	R432 V433 N440	R432-K436 WeakPolarHBondContact O-CG 3.41Å; R432-K436 PolarHBondContact O-N 3.08Å; R432-K436 VanDerWaalsContact O-N 3.13Å; V433-K436 PolarHBondContact O-N 3.28Å; K436-N440 PolarHBondContact O-N 3.32Å
437	A	88.9	Confident	87.7	Confident	0 Å²	0	75 Å²	75	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-40.6	175.5	0	0	0	0	0	111.8	Y417 V433 L434 R435 N440 V441 L447	Y417-A437 VanDerWaalsContact CB-CB 3.46Å; Y417-A437 HydrophobicContact CD1-CB 3.47Å; Y417-A437 VanDerWaalsContact CD1-CB 3.47Å; Y417-A437 HydrophobicContact CD2-CB 3.75Å; Y417-A437 HydrophobicContact CE1-CB 4.13Å; Y417-A437 HydrophobicContact CE2-CB 4.37Å; Y417-A437 HydrophobicContact CG-CB 3.27Å; V433-A437 WeakPolarHBondContact O-CB 3.32Å; V433-A437 PolarHBondContact O-N 3.18Å; L434-A437 WeakPolarHBondContact O-CB 3.49Å; L434-A437 PolarHBondContact O-N 2.93Å; L434-A437 VanDerWaalsContact O-N 3.17Å; R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 3.4Å; A437-N440 PolarHBondContact O-N 2.99Å; A437-V441 WeakPolarHBondContact O-CA 3.36Å; A437-V441 PolarHBondContact O-N 3.31Å; A437-L447 HydrophobicContact CB-CD1 3.62Å; A437-L447 HydrophobicContact CB-CD2 4.09Å; A437-L447 HydrophobicContact CB-CG 4.46Å
438	L	85.6	Confident	87.8	Confident	16 Å²	16	70.9 Å²	70.9	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-72.8	-31.2	177.8	-70.2	172.1	0	0	0	113	L434 R435 N440 S442 L447 W448 A451	L434-L438 WeakPolarHBondContact O-CB 3.4Å; L434-L438 VanDerWaalsContact O-CG 3.28Å; L434-L438 WeakPolarHBondContact O-CG 3.2Å; L434-L438 PolarHBondContact O-N 3.47Å; R435-L438 PolarHBondContact O-N 3.29Å; L438-N440 VanDerWaalsContact C-N 3.35Å; L438-S442 WeakPolarHBondContact O-CA 3.48Å; L438-S442 PolarHBondContact O-N 3.46Å; L438-S442 VanDerWaalsContact O-N 3.16Å; L438-L447 HydrophobicContact CD2-CB 3.59Å; L438-L447 HydrophobicContact CD2-CD1 4.42Å; L438-L447 HydrophobicContact CG-CB 4.31Å; L438-W448 HydrophobicContact CD1-CD2 4.14Å; L438-W448 HydrophobicContact CD1-CE3 3.68Å; L438-W448 HydrophobicContact CD1-CH2 4.18Å; L438-W448 HydrophobicContact CD1-CZ3 3.72Å; L438-W448 HydrophobicContact CD2-CD2 3.53Å; L438-W448 HydrophobicContact CD2-CE3 3.98Å; L438-W448 HydrophobicContact CD2-CG 3.85Å; L438-W448 HydrophobicContact CD2-CH2 4.4Å; L438-W448 HydrophobicContact CD2-CZ2 3.99Å; L438-W448 HydrophobicContact CD2-CZ3 4.4Å; L438-W448 HydrophobicContact CG-CD2 4.46Å; L438-W448 HydrophobicContact CG-CE3 4.46Å; L438-A451 HydrophobicContact CD1-CB 3.87Å
439	E	88.3	Confident	87.7	Confident	156 Å²	156	63.5 Å²	63.5	73%	0.729	29%	0.288	S	S	*	.	H	α-helix	trans	-60.1	-44.2	169.4	-173.5	178.3	-177.1	0	0	111.2	R435	R435-E439 PolarHBondContact O-N 3.45Å
440	N	85.9	Confident	87.7	Confident	82 Å²	82	64 Å²	64	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-81.1	-32.1	178.4	-71.9	-12.5	0	0	0	114.1	P411 Y417 K436 A437 L438	P411-N440 WeakPolarHBondContact O-CB 3.25Å; Y417-N440 PolarHBondContact OH-ND2 2.88Å; K436-N440 PolarHBondContact O-N 3.32Å; A437-N440 PolarHBondContact O-N 2.99Å; L438-N440 VanDerWaalsContact C-N 3.35Å
441	V	85.4	Confident	87.6	Confident	22 Å²	22	61.9 Å²	61.9	13%	0.133	28%	0.284	C	S	.	.			trans	-139	64.4	-171.4	-161.4	0	0	0	0	112.4	P411 V414 A437 K443 S444 L447	P411-V441 WeakPolarHBondContact O-CG2 3.41Å; V414-V441 HydrophobicContact CG2-CG1 3.88Å; A437-V441 WeakPolarHBondContact O-CA 3.36Å; A437-V441 PolarHBondContact O-N 3.31Å; V441-K443 VanDerWaalsContact C-N 3.26Å; V441-K443 PolarHBondContact O-N 3.43Å; V441-S444 PolarHBondContact O-OG 2.73Å; V441-L447 HydrophobicContact CB-CD1 4Å
442	S	81.7	Confident	87.6	Confident	50 Å²	50	61.2 Å²	61.2	35%	0.35	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.6	179.9	59.4	0	0	0	0	115.2	L438 S444 W448 C470	L438-S442 WeakPolarHBondContact O-CA 3.48Å; L438-S442 PolarHBondContact O-N 3.46Å; L438-S442 VanDerWaalsContact O-N 3.16Å; S442-S444 VanDerWaalsContact C-N 3.28Å; S442-S444 PolarHBondContact O-N 3.06Å; S442-W448 PolarHBondContact O-NE1 3.27Å; S442-C470 VanDerWaalsContact O-CB 3.25Å; S442-C470 WeakPolarHBondContact O-CB 3.47Å
443	K	84.8	Confident	87.5	Confident	179 Å²	179	60.6 Å²	60.6	78%	0.778	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	8.1	-176.9	-62.1	-173.5	179.4	-177.2	0	115.1	V441 C471	V441-K443 VanDerWaalsContact C-N 3.26Å; V441-K443 PolarHBondContact O-N 3.43Å; K443-C471 PolarHBondContact O-SG 2.74Å
444	S	85.9	Confident	87.4	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.098	29%	0.29	C	S	.	.			trans	-108.4	108.3	-170.1	65.8	0	0	0	0	113.8	V414 V441 S442 R446 L447 W448	V414-S444 WeakPolarHBondContact CG2-OG 3.33Å; V441-S444 PolarHBondContact O-OG 2.73Å; S442-S444 VanDerWaalsContact C-N 3.28Å; S442-S444 PolarHBondContact O-N 3.06Å; S444-R446 PolarHBondContact O-N 3.33Å; S444-R446 VanDerWaalsContact O-N 3.14Å; S444-L447 PolarHBondContact O-N 2.83Å; S444-L447 VanDerWaalsContact O-N 3.14Å; S444-L447 WeakPolarHBondContact OG-CB 3.39Å; S444-L447 VanDerWaalsContact OG-CD1 3.24Å; S444-L447 WeakPolarHBondContact OG-CD1 3.37Å; S444-L447 WeakPolarHBondContact OG-CG 3.48Å; S444-W448 VanDerWaalsContact O-CD1 3.26Å; S444-W448 PolarHBondContact O-N 2.62Å
445	V	88.9	Confident	87.3	Confident	44 Å²	44	62.1 Å²	62.1	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-50.7	-40.7	178.3	-171.5	0	0	0	0	112.4	L447 W448 K449 C471 L477	V445-L447 PolarHBondContact O-N 3.39Å; V445-W448 PolarHBondContact O-N 3.09Å; V445-K449 PolarHBondContact O-N 2.93Å; V445-C471 HydrophobicContact CG2-CB 4.28Å; V445-L477 HydrophobicContact CG1-CD1 4.08Å; V445-L477 HydrophobicContact CG1-CD2 4.48Å; V445-L477 HydrophobicContact CG1-CG 4.04Å
446	R	89.1	Confident	87.3	Confident	145 Å²	145	62.2 Å²	62.2	55%	0.547	30%	0.3	S	S	.	.	H	α-helix	trans	-69.8	-31.1	-175.2	-160.4	-177.3	167.5	173.1	-7.3	113.3	V414 I418 S444 A450	V414-R446 HydrophobicContact CG1-CB 4.11Å; I418-R446 HydrophobicContact CD1-CB 4.14Å; I418-R446 VanDerWaalsContact CD1-CD 3.41Å; I418-R446 HydrophobicContact CD1-CG 3.5Å; I418-R446 VanDerWaalsContact CD1-CG 3.5Å; I418-R446 VanDerWaalsContact CD1-NE 3.33Å; S444-R446 PolarHBondContact O-N 3.33Å; S444-R446 VanDerWaalsContact O-N 3.14Å; R446-A450 WeakPolarHBondContact O-CB 3.45Å; R446-A450 PolarHBondContact O-N 3.49Å
447	L	89.1	Confident	87.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-72	-41.8	172	-68.8	-174.8	0	0	0	111.2	V414 I418 L434 A437 L438 V441 S444 V445 K449 A450 A451	V414-L447 HydrophobicContact CG1-CD2 4.09Å; V414-L447 HydrophobicContact CG1-CG 3.98Å; V414-L447 HydrophobicContact CG2-CG 4.44Å; I418-L447 HydrophobicContact CD1-CD2 4.29Å; I418-L447 HydrophobicContact CG1-CD2 3.74Å; L434-L447 HydrophobicContact CD2-CD2 4.12Å; A437-L447 HydrophobicContact CB-CD1 3.62Å; A437-L447 HydrophobicContact CB-CD2 4.09Å; A437-L447 HydrophobicContact CB-CG 4.46Å; L438-L447 HydrophobicContact CD2-CB 3.59Å; L438-L447 HydrophobicContact CD2-CD1 4.42Å; L438-L447 HydrophobicContact CG-CB 4.31Å; V441-L447 HydrophobicContact CB-CD1 4Å; S444-L447 PolarHBondContact O-N 2.83Å; S444-L447 VanDerWaalsContact O-N 3.14Å; S444-L447 WeakPolarHBondContact OG-CB 3.39Å; S444-L447 VanDerWaalsContact OG-CD1 3.24Å; S444-L447 WeakPolarHBondContact OG-CD1 3.37Å; S444-L447 WeakPolarHBondContact OG-CG 3.48Å; V445-L447 PolarHBondContact O-N 3.39Å; L447-K449 PolarHBondContact O-N 2.78Å; L447-A450 PolarHBondContact O-N 2.72Å; L447-A451 WeakPolarHBondContact O-CB 3.48Å; L447-A451 PolarHBondContact O-N 2.87Å
448	W	90.3	Very high	86.8	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-44.6	177.2	-72.2	111.9	0	0	0	111.9	L438 S442 S444 V445 A451 V452 M463 R466 A467 C470 L477	L438-W448 HydrophobicContact CD1-CD2 4.14Å; L438-W448 HydrophobicContact CD1-CE3 3.68Å; L438-W448 HydrophobicContact CD1-CH2 4.18Å; L438-W448 HydrophobicContact CD1-CZ3 3.72Å; L438-W448 HydrophobicContact CD2-CD2 3.53Å; L438-W448 HydrophobicContact CD2-CE3 3.98Å; L438-W448 HydrophobicContact CD2-CG 3.85Å; L438-W448 HydrophobicContact CD2-CH2 4.4Å; L438-W448 HydrophobicContact CD2-CZ2 3.99Å; L438-W448 HydrophobicContact CD2-CZ3 4.4Å; L438-W448 HydrophobicContact CG-CD2 4.46Å; L438-W448 HydrophobicContact CG-CE3 4.46Å; S442-W448 PolarHBondContact O-NE1 3.27Å; S444-W448 VanDerWaalsContact O-CD1 3.26Å; S444-W448 PolarHBondContact O-N 2.62Å; V445-W448 PolarHBondContact O-N 3.09Å; W448-A451 PolarHBondContact O-N 3.15Å; W448-V452 VanDerWaalsContact O-CB 3.29Å; W448-V452 WeakPolarHBondContact O-CB 3.38Å; W448-V452 WeakPolarHBondContact O-CG2 3.37Å; W448-V452 PolarHBondContact O-N 3.06Å; W448-M463 HydrophobicContact CE3-CG 3.78Å; W448-M463 HydrophobicContact CZ3-CG 3.6Å; W448-M463 WeakPolarHBondContact CZ3-O 3.23Å; W448-R466 HydrophobicContact CH2-CB 4.13Å; W448-R466 HydrophobicContact CH2-CG 3.79Å; W448-R466 HydrophobicContact CZ2-CG 4.42Å; W448-R466 HydrophobicContact CZ3-CB 4.45Å; W448-A467 HydrophobicContact CB-CB 3.83Å; W448-A467 HydrophobicContact CD2-CB 3.34Å; W448-A467 HydrophobicContact CE3-CB 3.45Å; W448-A467 VanDerWaalsContact CE3-CB 3.45Å; W448-A467 HydrophobicContact CG-CB 3.53Å; W448-A467 HydrophobicContact CZ3-CB 4.13Å; W448-C470 HydrophobicContact CZ2-CB 4.09Å; W448-L477 HydrophobicContact CB-CD1 3.95Å; W448-L477 HydrophobicContact CB-CD2 4.16Å; W448-L477 HydrophobicContact CG-CD1 4.37Å
449	K	88.7	Confident	86.9	Confident	58 Å²	58	69 Å²	69	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-57.1	-54.7	172.9	-69.2	-176.7	-170.6	177	0	112.2	V445 L447 A451 V452 E453 E476 L477	V445-K449 PolarHBondContact O-N 2.93Å; L447-K449 PolarHBondContact O-N 2.78Å; K449-A451 PolarHBondContact O-N 3.49Å; K449-V452 PolarHBondContact O-N 2.67Å; K449-V452 VanDerWaalsContact O-N 3.13Å; K449-E453 WeakPolarHBondContact O-CB 3.22Å; K449-E453 WeakPolarHBondContact O-CG 3.38Å; K449-E453 PolarHBondContact O-N 3.46Å; K449-E476 WeakPolarHBondContact CE-OE1 3.37Å; K449-E476 WeakPolarHBondContact CE-OE2 3.46Å; K449-E476 IonicContact NZ-OE1 2.99Å; K449-E476 PolarHBondContact NZ-OE1 2.77Å; K449-E476 IonicContact NZ-OE2 2.72Å; K449-E476 PolarHBondContact NZ-OE2 2.85Å; K449-L477 HydrophobicContact CG-CD2 3.99Å
450	A	88	Confident	86.8	Confident	20 Å²	20	61.8 Å²	61.8	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-27.6	-178	0	0	0	0	0	113.4	L434 R446 L447 L454	L434-A450 HydrophobicContact CD1-CB 4.39Å; L434-A450 WeakPolarHBondContact CD1-O 3.2Å; L434-A450 HydrophobicContact CD2-CB 4.29Å; R446-A450 WeakPolarHBondContact O-CB 3.45Å; R446-A450 PolarHBondContact O-N 3.49Å; L447-A450 PolarHBondContact O-N 2.72Å; A450-L454 WeakPolarHBondContact O-CD1 3.44Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å
451	A	88.1	Confident	86.7	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-76.6	-48	172.9	0	0	0	0	0	111.6	L434 L438 L447 W448 K449 E453 L454 E455 M463	L434-A451 HydrophobicContact CB-CB 4.13Å; L438-A451 HydrophobicContact CD1-CB 3.87Å; L447-A451 WeakPolarHBondContact O-CB 3.48Å; L447-A451 PolarHBondContact O-N 2.87Å; W448-A451 PolarHBondContact O-N 3.15Å; K449-A451 PolarHBondContact O-N 3.49Å; A451-E453 VanDerWaalsContact C-N 3.34Å; A451-E453 PolarHBondContact O-N 2.85Å; A451-L454 PolarHBondContact O-N 3.19Å; A451-L454 VanDerWaalsContact O-N 3.12Å; A451-E455 WeakPolarHBondContact O-CG 3.38Å; A451-M463 HydrophobicContact CB-CE 4.48Å; A451-M463 HydrophobicContact CB-SD 3.47Å; A451-M463 WeakPolarHBondContact CB-SD 3.3Å
452	V	87.9	Confident	86.9	Confident	23 Å²	23	66 Å²	66	14%	0.139	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-37.9	-179.9	166.7	0	0	0	0	112.3	W448 K449 L454 E455 A460 M463 L464	W448-V452 VanDerWaalsContact O-CB 3.29Å; W448-V452 WeakPolarHBondContact O-CB 3.38Å; W448-V452 WeakPolarHBondContact O-CG2 3.37Å; W448-V452 PolarHBondContact O-N 3.06Å; K449-V452 PolarHBondContact O-N 2.67Å; K449-V452 VanDerWaalsContact O-N 3.13Å; V452-L454 PolarHBondContact O-N 2.97Å; V452-L454 VanDerWaalsContact O-N 3.08Å; V452-E455 PolarHBondContact O-N 3.44Å; V452-A460 HydrophobicContact CG1-CB 4.2Å; V452-M463 HydrophobicContact CG2-CB 4.24Å; V452-M463 HydrophobicContact CG2-CG 4.08Å; V452-M463 HydrophobicContact CG2-SD 4.08Å; V452-L464 HydrophobicContact CG1-CD1 3.9Å; V452-L464 HydrophobicContact CG1-CD2 4.16Å; V452-L464 HydrophobicContact CG1-CG 3.94Å; V452-L464 HydrophobicContact CG2-CD2 3.86Å; V452-L464 HydrophobicContact CG2-CG 3.73Å
453	E	87.8	Confident	87	Confident	152 Å²	152	64.8 Å²	64.8	71%	0.71	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.9	175.5	-76	166.8	-159.8	0	0	114.2	K449 A451	K449-E453 WeakPolarHBondContact O-CB 3.22Å; K449-E453 WeakPolarHBondContact O-CG 3.38Å; K449-E453 PolarHBondContact O-N 3.46Å; A451-E453 VanDerWaalsContact C-N 3.34Å; A451-E453 PolarHBondContact O-N 2.85Å
454	L	87.2	Confident	87.1	Confident	43 Å²	43	56.3 Å²	56.3	23%	0.225	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-12.2	-179.5	-60.6	171.7	0	0	0	113.5	I427 K430 K431 L434 A450 A451 V452	I427-L454 HydrophobicContact CG2-CB 4.46Å; K430-L454 HydrophobicContact CB-CD1 3.56Å; K430-L454 HydrophobicContact CD-CD1 4.13Å; K430-L454 HydrophobicContact CD-CD2 4.16Å; K430-L454 HydrophobicContact CG-CD1 4.49Å; K431-L454 WeakPolarHBondContact CE-O 3.24Å; K431-L454 HydrophobicContact CG-CB 4.35Å; K431-L454 PolarHBondContact NZ-O 2.99Å; L434-L454 HydrophobicContact CD1-CD1 3.52Å; A450-L454 WeakPolarHBondContact O-CD1 3.44Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A451-L454 PolarHBondContact O-N 3.19Å; A451-L454 VanDerWaalsContact O-N 3.12Å; V452-L454 PolarHBondContact O-N 2.97Å; V452-L454 VanDerWaalsContact O-N 3.08Å
455	E	85.8	Confident	87.1	Confident	20 Å²	20	57.9 Å²	57.9	9%	0.093	29%	0.287	C	S	.	.	S	Bend	trans	-94.2	153.7	-175.9	-59.7	-69.3	-175.1	0	0	111.7	K431 R435 A451 V452 D459 A460 M463	K431-E455 VanDerWaalsContact CD-OE2 3.31Å; K431-E455 WeakPolarHBondContact CD-OE2 3.37Å; K431-E455 WeakPolarHBondContact CE-OE2 3.44Å; K431-E455 IonicContact NZ-OE2 3.45Å; K431-E455 PolarHBondContact NZ-OE2 3.01Å; R435-E455 IonicContact CZ-OE1 2.69Å; R435-E455 IonicContact NE-OE1 3.37Å; R435-E455 PolarHBondContact NE-OE1 2.92Å; R435-E455 IonicContact NH2-OE1 3.5Å; R435-E455 PolarHBondContact NH2-OE1 3.48Å; R435-E455 IonicContact NH2-OE2 3.55Å; A451-E455 WeakPolarHBondContact O-CG 3.38Å; V452-E455 PolarHBondContact O-N 3.44Å; E455-D459 HydrophobicContact CB-CB 4.03Å; E455-A460 HydrophobicContact CB-CB 4.19Å; E455-M463 HydrophobicContact CG-CE 3.67Å; E455-M463 HydrophobicContact CG-SD 4.12Å; E455-M463 WeakPolarHBondContact OE1-CE 3.23Å
456	E	87.7	Confident	87.1	Confident	131 Å²	131	62.5 Å²	62.5	61%	0.612	30%	0.299	S	S	*	.			trans	-74.7	156.8	175.1	-75.2	177.6	-142	0	0	110.2	E458 D459 A460	E456-E458 PolarHBondContact O-N 2.96Å; E456-D459 PolarHBondContact O-N 3.41Å; E456-A460 VanDerWaalsContact O-CB 3.26Å; E456-A460 WeakPolarHBondContact O-CB 3.38Å; E456-A460 PolarHBondContact O-N 3.42Å
457	P	83.3	Confident	87	Confident	90 Å²	90	55.6 Å²	55.6	58%	0.584	27%	0.273	S	S	*	.	H	α-helix	trans	-56.7	-30.2	-165.5	18.7	-32.9	0	0	0	115.2	R461 L484	P457-R461 WeakPolarHBondContact O-CB 3.44Å; P457-R461 PolarHBondContact O-N 3.42Å; P457-R461 VanDerWaalsContact O-N 3.13Å; P457-L484 HydrophobicContact CB-CD2 4.16Å
458	E	84	Confident	87	Confident	131 Å²	131	56 Å²	56	61%	0.612	28%	0.275	S	S	*	.	H	α-helix	trans	-73.3	-46.3	175.3	59	177.7	176	0	0	113.4	E456 R461 I462	E456-E458 PolarHBondContact O-N 2.96Å; E458-R461 PolarHBondContact O-N 3.48Å; E458-I462 WeakPolarHBondContact O-CG1 3.42Å; E458-I462 PolarHBondContact O-N 3Å
459	D	86.1	Confident	86.8	Confident	70 Å²	70	60.2 Å²	60.2	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-39.2	175.6	-89.1	-13.6	0	0	0	110.9	E455 E456 R461 I462 M463	E455-D459 HydrophobicContact CB-CB 4.03Å; E456-D459 PolarHBondContact O-N 3.41Å; D459-R461 VanDerWaalsContact C-N 3.34Å; D459-R461 PolarHBondContact O-N 3.19Å; D459-I462 PolarHBondContact O-N 2.88Å; D459-M463 VanDerWaalsContact O-CB 3.29Å; D459-M463 WeakPolarHBondContact O-CB 3.5Å; D459-M463 PolarHBondContact O-N 3.46Å
460	A	86.1	Confident	86.6	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-42.8	174.6	0	0	0	0	0	111.5	V452 E455 E456 M463 L464 L484	V452-A460 HydrophobicContact CG1-CB 4.2Å; E455-A460 HydrophobicContact CB-CB 4.19Å; E456-A460 VanDerWaalsContact O-CB 3.26Å; E456-A460 WeakPolarHBondContact O-CB 3.38Å; E456-A460 PolarHBondContact O-N 3.42Å; A460-M463 PolarHBondContact O-N 3.45Å; A460-L464 VanDerWaalsContact O-CB 3.27Å; A460-L464 WeakPolarHBondContact O-CB 3.33Å; A460-L464 WeakPolarHBondContact O-CD1 3.5Å; A460-L464 VanDerWaalsContact O-CG 3.22Å; A460-L464 WeakPolarHBondContact O-CG 3.49Å; A460-L464 PolarHBondContact O-N 2.93Å; A460-L484 HydrophobicContact CB-CD1 4.07Å
461	R	85.6	Confident	86.5	Confident	97 Å²	97	58.3 Å²	58.3	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-45.3	174.5	-180	-174.1	63.8	87.4	2.5	112.2	P457 E458 D459 M463 L464 S465 E485	P457-R461 WeakPolarHBondContact O-CB 3.44Å; P457-R461 PolarHBondContact O-N 3.42Å; P457-R461 VanDerWaalsContact O-N 3.13Å; E458-R461 PolarHBondContact O-N 3.48Å; D459-R461 VanDerWaalsContact C-N 3.34Å; D459-R461 PolarHBondContact O-N 3.19Å; R461-M463 VanDerWaalsContact C-N 3.33Å; R461-L464 PolarHBondContact O-N 3.33Å; R461-S465 PolarHBondContact O-N 2.68Å; R461-E485 HydrophobicContact CG-CG 3.88Å
462	I	87.9	Confident	86.3	Confident	95 Å²	95	60.4 Å²	60.4	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-41.5	176.8	-64.9	167.1	0	0	0	110.5	E458 D459 S465 R466	E458-I462 WeakPolarHBondContact O-CG1 3.42Å; E458-I462 PolarHBondContact O-N 3Å; D459-I462 PolarHBondContact O-N 2.88Å; I462-S465 PolarHBondContact O-OG 2.79Å; I462-R466 PolarHBondContact O-N 3.25Å
463	M	85.4	Confident	86.3	Confident	25 Å²	25	65 Å²	65	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-40.9	177.5	-167.2	174.2	-72.1	0	0	111.7	W448 A451 V452 E455 D459 A460 R461 R466 A467	W448-M463 HydrophobicContact CE3-CG 3.78Å; W448-M463 HydrophobicContact CZ3-CG 3.6Å; W448-M463 WeakPolarHBondContact CZ3-O 3.23Å; A451-M463 HydrophobicContact CB-CE 4.48Å; A451-M463 HydrophobicContact CB-SD 3.47Å; A451-M463 WeakPolarHBondContact CB-SD 3.3Å; V452-M463 HydrophobicContact CG2-CB 4.24Å; V452-M463 HydrophobicContact CG2-CG 4.08Å; V452-M463 HydrophobicContact CG2-SD 4.08Å; E455-M463 HydrophobicContact CG-CE 3.67Å; E455-M463 HydrophobicContact CG-SD 4.12Å; E455-M463 WeakPolarHBondContact OE1-CE 3.23Å; D459-M463 VanDerWaalsContact O-CB 3.29Å; D459-M463 WeakPolarHBondContact O-CB 3.5Å; D459-M463 PolarHBondContact O-N 3.46Å; A460-M463 PolarHBondContact O-N 3.45Å; R461-M463 VanDerWaalsContact C-N 3.33Å; M463-R466 PolarHBondContact O-N 3.18Å; M463-A467 WeakPolarHBondContact O-CB 3.36Å; M463-A467 PolarHBondContact O-N 2.92Å
464	L	86.7	Confident	86.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-37.6	177.3	-79.3	165	0	0	0	113	V452 A460 R461 R466 A467 V468 L477 A480 L481 L484	V452-L464 HydrophobicContact CG1-CD1 3.9Å; V452-L464 HydrophobicContact CG1-CD2 4.16Å; V452-L464 HydrophobicContact CG1-CG 3.94Å; V452-L464 HydrophobicContact CG2-CD2 3.86Å; V452-L464 HydrophobicContact CG2-CG 3.73Å; A460-L464 VanDerWaalsContact O-CB 3.27Å; A460-L464 WeakPolarHBondContact O-CB 3.33Å; A460-L464 WeakPolarHBondContact O-CD1 3.5Å; A460-L464 VanDerWaalsContact O-CG 3.22Å; A460-L464 WeakPolarHBondContact O-CG 3.49Å; A460-L464 PolarHBondContact O-N 2.93Å; R461-L464 PolarHBondContact O-N 3.33Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.26Å; L464-A467 WeakPolarHBondContact O-CA 3.43Å; L464-A467 WeakPolarHBondContact O-CB 3.37Å; L464-A467 PolarHBondContact O-N 3.14Å; L464-V468 WeakPolarHBondContact O-CG2 3.31Å; L464-V468 PolarHBondContact O-N 3.42Å; L464-L477 HydrophobicContact CD2-CB 4.35Å; L464-L477 HydrophobicContact CD2-CD2 3.94Å; L464-A480 HydrophobicContact CD1-CB 4.03Å; L464-A480 HydrophobicContact CD2-CB 4.13Å; L464-L481 HydrophobicContact CB-CB 4.04Å; L464-L481 HydrophobicContact CB-CD1 4.35Å; L464-L481 HydrophobicContact CB-CG 3.86Å; L464-L481 HydrophobicContact CD1-CB 4.45Å; L464-L484 HydrophobicContact CD1-CD1 3.68Å
465	S	86.5	Confident	86.2	Confident	48 Å²	48	58.1 Å²	58.1	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-41.2	175.2	74.4	0	0	0	0	111.2	R461 I462 V468 E469	R461-S465 PolarHBondContact O-N 2.68Å; I462-S465 PolarHBondContact O-OG 2.79Å; S465-V468 VanDerWaalsContact O-CG2 3.28Å; S465-V468 WeakPolarHBondContact O-CG2 3.39Å; S465-E469 WeakPolarHBondContact O-CG 3.45Å; S465-E469 PolarHBondContact O-N 2.88Å
466	R	88.1	Confident	86.2	Confident	141 Å²	141	62.2 Å²	62.2	53%	0.532	32%	0.319	S	S	.	.	H	α-helix	trans	-70.1	-33.4	172.1	-170.3	54	175.1	175.1	0.2	112.8	W448 I462 M463 L464 E469 C470	W448-R466 HydrophobicContact CH2-CB 4.13Å; W448-R466 HydrophobicContact CH2-CG 3.79Å; W448-R466 HydrophobicContact CZ2-CG 4.42Å; W448-R466 HydrophobicContact CZ3-CB 4.45Å; I462-R466 PolarHBondContact O-N 3.25Å; M463-R466 PolarHBondContact O-N 3.18Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.26Å; R466-E469 VanDerWaalsContact CD-OE2 3.32Å; R466-E469 WeakPolarHBondContact CD-OE2 3.42Å; R466-E469 IonicContact CZ-OE2 2.84Å; R466-E469 IonicContact NE-OE2 3.22Å; R466-E469 IonicContact NH1-OE2 3.73Å; R466-E469 PolarHBondContact NH1-OE2 3.26Å; R466-E469 PolarHBondContact O-N 3.49Å; R466-C470 PolarHBondContact O-N 2.67Å; R466-C470 PolarHBondContact O-SG 2.98Å
467	A	87.8	Confident	86.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-44.1	179.3	0	0	0	0	0	112.2	W448 M463 L464 E469 C470 C471 L477	W448-A467 HydrophobicContact CB-CB 3.83Å; W448-A467 HydrophobicContact CD2-CB 3.34Å; W448-A467 HydrophobicContact CE3-CB 3.45Å; W448-A467 VanDerWaalsContact CE3-CB 3.45Å; W448-A467 HydrophobicContact CG-CB 3.53Å; W448-A467 HydrophobicContact CZ3-CB 4.13Å; M463-A467 WeakPolarHBondContact O-CB 3.36Å; M463-A467 PolarHBondContact O-N 2.92Å; L464-A467 WeakPolarHBondContact O-CA 3.43Å; L464-A467 WeakPolarHBondContact O-CB 3.37Å; L464-A467 PolarHBondContact O-N 3.14Å; A467-E469 VanDerWaalsContact C-N 3.35Å; A467-C470 PolarHBondContact O-N 3.3Å; A467-C471 WeakPolarHBondContact O-CB 3.5Å; A467-C471 PolarHBondContact O-N 3.18Å; A467-L477 HydrophobicContact CB-CD1 3.86Å
468	V	87.3	Confident	86.6	Confident	7 Å²	7	52 Å²	52	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-71.8	-27	178.1	-61	0	0	0	0	113	L464 S465 C471 P472 L477 W478 L481	L464-V468 WeakPolarHBondContact O-CG2 3.31Å; L464-V468 PolarHBondContact O-N 3.42Å; S465-V468 VanDerWaalsContact O-CG2 3.28Å; S465-V468 WeakPolarHBondContact O-CG2 3.39Å; V468-C471 CarbonylContact O-C 3.45Å; V468-P472 VanDerWaalsContact O-CA 3.3Å; V468-P472 WeakPolarHBondContact O-CA 3.35Å; V468-L477 HydrophobicContact CG1-CB 3.81Å; V468-W478 HydrophobicContact CB-CD2 3.79Å; V468-W478 HydrophobicContact CB-CE3 3.83Å; V468-W478 HydrophobicContact CB-CH2 3.78Å; V468-W478 HydrophobicContact CB-CZ2 3.76Å; V468-W478 HydrophobicContact CB-CZ3 3.83Å; V468-W478 HydrophobicContact CG1-CD2 3.69Å; V468-W478 HydrophobicContact CG1-CE3 3.83Å; V468-W478 HydrophobicContact CG1-CG 4.01Å; V468-W478 HydrophobicContact CG1-CZ3 4.32Å; V468-W478 HydrophobicContact CG2-CD2 4.43Å; V468-W478 HydrophobicContact CG2-CE3 3.96Å; V468-W478 HydrophobicContact CG2-CH2 3.73Å; V468-W478 HydrophobicContact CG2-CZ2 4.23Å; V468-W478 HydrophobicContact CG2-CZ3 3.59Å; V468-L481 HydrophobicContact CB-CD1 4.35Å; V468-L481 HydrophobicContact CG1-CD1 3.87Å; V468-L481 HydrophobicContact CG2-CD1 3.53Å
469	E	86.5	Confident	86.7	Confident	106 Å²	106	47 Å²	47	50%	0.495	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-41.1	168.2	-72.5	179.1	165.9	0	0	112.4	S465 R466 A467	S465-E469 WeakPolarHBondContact O-CG 3.45Å; S465-E469 PolarHBondContact O-N 2.88Å; R466-E469 VanDerWaalsContact CD-OE2 3.32Å; R466-E469 WeakPolarHBondContact CD-OE2 3.42Å; R466-E469 IonicContact CZ-OE2 2.84Å; R466-E469 IonicContact NE-OE2 3.22Å; R466-E469 IonicContact NH1-OE2 3.73Å; R466-E469 PolarHBondContact NH1-OE2 3.26Å; R466-E469 PolarHBondContact O-N 3.49Å; A467-E469 VanDerWaalsContact C-N 3.35Å
470	C	85.9	Confident	86.7	Confident	29 Å²	29	45 Å²	45	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-77.8	-28.7	179.6	-59.7	0	0	0	0	112.9	S442 W448 R466 A467	S442-C470 VanDerWaalsContact O-CB 3.25Å; S442-C470 WeakPolarHBondContact O-CB 3.47Å; W448-C470 HydrophobicContact CZ2-CB 4.09Å; R466-C470 PolarHBondContact O-N 2.67Å; R466-C470 PolarHBondContact O-SG 2.98Å; A467-C470 PolarHBondContact O-N 3.3Å
471	C	84.2	Confident	86.7	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.061	23%	0.233	C	C	.	.			trans	-129.6	63.6	-175.2	-61.8	0	0	0	0	111.9	K443 V445 A467 V468 T473 S474 L477	K443-C471 PolarHBondContact O-SG 2.74Å; V445-C471 HydrophobicContact CG2-CB 4.28Å; A467-C471 WeakPolarHBondContact O-CB 3.5Å; A467-C471 PolarHBondContact O-N 3.18Å; V468-C471 CarbonylContact O-C 3.45Å; C471-T473 PolarHBondContact O-N 3.13Å; C471-T473 VanDerWaalsContact O-N 3.14Å; C471-S474 WeakPolarHBondContact CB-OG 3.44Å; C471-S474 PolarHBondContact O-N 3.45Å; C471-S474 PolarHBondContact O-OG 3.04Å; C471-L477 HydrophobicContact CB-CD1 4.11Å
472	P	84.6	Confident	86.7	Confident	47 Å²	47	40.6 Å²	40.6	31%	0.305	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.2	-173.1	26	-35.8	0	0	0	113.8	V468 S474 W478 N500 I501	V468-P472 VanDerWaalsContact O-CA 3.3Å; V468-P472 WeakPolarHBondContact O-CA 3.35Å; P472-S474 VanDerWaalsContact C-N 3.32Å; P472-S474 PolarHBondContact O-N 3.27Å; P472-W478 PolarHBondContact O-NE1 3.24Å; P472-N500 HydrophobicContact CB-CB 4.4Å; P472-I501 WeakPolarHBondContact O-CD1 3.44Å
473	T	88.1	Confident	86.5	Confident	121 Å²	121	44.5 Å²	44.5	74%	0.742	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.7	-178.6	-37.6	0	0	0	0	114	C471 I501	C471-T473 PolarHBondContact O-N 3.13Å; C471-T473 VanDerWaalsContact O-N 3.14Å; T473-I501 VanDerWaalsContact C-CD1 3.43Å; T473-I501 WeakPolarHBondContact O-CD1 3.25Å
474	S	86.1	Confident	86.5	Confident	15 Å²	15	46.9 Å²	46.9	11%	0.105	24%	0.24	C	C	.	.			trans	-99.4	103.6	-172.8	63.5	0	0	0	0	113.3	C471 P472 E476 L477	C471-S474 WeakPolarHBondContact CB-OG 3.44Å; C471-S474 PolarHBondContact O-N 3.45Å; C471-S474 PolarHBondContact O-OG 3.04Å; P472-S474 VanDerWaalsContact C-N 3.32Å; P472-S474 PolarHBondContact O-N 3.27Å; S474-E476 VanDerWaalsContact C-N 3.33Å; S474-E476 PolarHBondContact O-N 3.23Å; S474-L477 PolarHBondContact O-N 3.19Å; S474-L477 WeakPolarHBondContact OG-CD1 3.23Å
475	V	86.3	Confident	86.3	Confident	34 Å²	34	48.5 Å²	48.5	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-46.9	-175.9	-57.9	0	0	0	0	112.1	L477 W478 L479 I501 D504 I507	V475-L477 VanDerWaalsContact C-N 3.29Å; V475-L477 PolarHBondContact O-N 2.83Å; V475-W478 WeakPolarHBondContact O-CA 3.45Å; V475-W478 WeakPolarHBondContact O-CB 3.42Å; V475-W478 PolarHBondContact O-N 2.94Å; V475-L479 VanDerWaalsContact O-CG 3.31Å; V475-L479 WeakPolarHBondContact O-CG 3.3Å; V475-L479 PolarHBondContact O-N 2.66Å; V475-I501 HydrophobicContact CB-CD1 4.45Å; V475-I501 HydrophobicContact CG1-CD1 3.57Å; V475-I501 HydrophobicContact CG1-CG2 4.06Å; V475-D504 HydrophobicContact CG1-CB 3.73Å; V475-D504 WeakPolarHBondContact CG1-OD2 3.43Å; V475-I507 HydrophobicContact CG1-CD1 4.32Å
476	E	87.1	Confident	86.4	Confident	106 Å²	106	50.5 Å²	50.5	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-33.2	-171.6	-61	175.6	-92.1	0	0	113.9	K449 S474 L479 A480	K449-E476 WeakPolarHBondContact CE-OE1 3.37Å; K449-E476 WeakPolarHBondContact CE-OE2 3.46Å; K449-E476 IonicContact NZ-OE1 2.99Å; K449-E476 PolarHBondContact NZ-OE1 2.77Å; K449-E476 IonicContact NZ-OE2 2.72Å; K449-E476 PolarHBondContact NZ-OE2 2.85Å; S474-E476 VanDerWaalsContact C-N 3.33Å; S474-E476 PolarHBondContact O-N 3.23Å; E476-L479 PolarHBondContact O-N 2.91Å; E476-A480 WeakPolarHBondContact O-CB 3.44Å; E476-A480 PolarHBondContact O-N 3.38Å
477	L	88.4	Confident	86.3	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-71	-40	175.5	-62.3	-177.2	0	0	0	111	V445 W448 K449 L464 A467 V468 C471 S474 V475 L479 A480 L481	V445-L477 HydrophobicContact CG1-CD1 4.08Å; V445-L477 HydrophobicContact CG1-CD2 4.48Å; V445-L477 HydrophobicContact CG1-CG 4.04Å; W448-L477 HydrophobicContact CB-CD1 3.95Å; W448-L477 HydrophobicContact CB-CD2 4.16Å; W448-L477 HydrophobicContact CG-CD1 4.37Å; K449-L477 HydrophobicContact CG-CD2 3.99Å; L464-L477 HydrophobicContact CD2-CB 4.35Å; L464-L477 HydrophobicContact CD2-CD2 3.94Å; A467-L477 HydrophobicContact CB-CD1 3.86Å; V468-L477 HydrophobicContact CG1-CB 3.81Å; C471-L477 HydrophobicContact CB-CD1 4.11Å; S474-L477 PolarHBondContact O-N 3.19Å; S474-L477 WeakPolarHBondContact OG-CD1 3.23Å; V475-L477 VanDerWaalsContact C-N 3.29Å; V475-L477 PolarHBondContact O-N 2.83Å; L477-L479 VanDerWaalsContact C-N 3.33Å; L477-L479 PolarHBondContact O-N 3.44Å; L477-A480 PolarHBondContact O-N 2.98Å; L477-L481 VanDerWaalsContact O-CB 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.34Å; L477-L481 PolarHBondContact O-N 3.27Å
478	W	89.3	Confident	86.2	Confident	4 Å²	4	53 Å²	53	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-40.4	172	-66.5	110.8	0	0	0	111.8	V468 P472 V475 L481 A482 V493 K496 A497	V468-W478 HydrophobicContact CB-CD2 3.79Å; V468-W478 HydrophobicContact CB-CE3 3.83Å; V468-W478 HydrophobicContact CB-CH2 3.78Å; V468-W478 HydrophobicContact CB-CZ2 3.76Å; V468-W478 HydrophobicContact CB-CZ3 3.83Å; V468-W478 HydrophobicContact CG1-CD2 3.69Å; V468-W478 HydrophobicContact CG1-CE3 3.83Å; V468-W478 HydrophobicContact CG1-CG 4.01Å; V468-W478 HydrophobicContact CG1-CZ3 4.32Å; V468-W478 HydrophobicContact CG2-CD2 4.43Å; V468-W478 HydrophobicContact CG2-CE3 3.96Å; V468-W478 HydrophobicContact CG2-CH2 3.73Å; V468-W478 HydrophobicContact CG2-CZ2 4.23Å; V468-W478 HydrophobicContact CG2-CZ3 3.59Å; P472-W478 PolarHBondContact O-NE1 3.24Å; V475-W478 WeakPolarHBondContact O-CA 3.45Å; V475-W478 WeakPolarHBondContact O-CB 3.42Å; V475-W478 PolarHBondContact O-N 2.94Å; W478-L481 PolarHBondContact O-N 2.93Å; W478-A482 WeakPolarHBondContact O-CB 3.34Å; W478-A482 PolarHBondContact O-N 2.82Å; W478-V493 HydrophobicContact CE3-CG1 3.63Å; W478-V493 HydrophobicContact CZ3-CG1 4.04Å; W478-K496 HydrophobicContact CH2-CB 4.14Å; W478-K496 HydrophobicContact CH2-CD 3.93Å; W478-K496 HydrophobicContact CH2-CG 3.79Å; W478-K496 HydrophobicContact CZ3-CB 4.15Å; W478-K496 HydrophobicContact CZ3-CD 4.35Å; W478-K496 HydrophobicContact CZ3-CG 4.28Å; W478-A497 HydrophobicContact CB-CB 3.79Å; W478-A497 HydrophobicContact CD2-CB 3.64Å; W478-A497 HydrophobicContact CE3-CB 3.89Å; W478-A497 HydrophobicContact CG-CB 3.61Å
479	L	87.1	Confident	86.2	Confident	26 Å²	26	55.4 Å²	55.4	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-42	178.6	-52	-164.3	0	0	0	112	V475 E476 L477 R483 H506 I507 T510	V475-L479 VanDerWaalsContact O-CG 3.31Å; V475-L479 WeakPolarHBondContact O-CG 3.3Å; V475-L479 PolarHBondContact O-N 2.66Å; E476-L479 PolarHBondContact O-N 2.91Å; L477-L479 VanDerWaalsContact C-N 3.33Å; L477-L479 PolarHBondContact O-N 3.44Å; L479-R483 PolarHBondContact O-N 3.33Å; L479-H506 HydrophobicContact CD1-CB 3.79Å; L479-I507 HydrophobicContact CD2-CG1 4.03Å; L479-T510 HydrophobicContact CB-CG2 4.31Å; L479-T510 HydrophobicContact CD1-CG2 3.95Å; L479-T510 HydrophobicContact CD2-CG2 3.92Å; L479-T510 WeakPolarHBondContact CD2-OG1 3.32Å; L479-T510 HydrophobicContact CG-CG2 4.25Å
480	A	85.4	Confident	86.1	Confident	28 Å²	28	50.3 Å²	50.3	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-41.7	176.4	0	0	0	0	0	111.7	L464 E476 L477 R483 L484	L464-A480 HydrophobicContact CD1-CB 4.03Å; L464-A480 HydrophobicContact CD2-CB 4.13Å; E476-A480 WeakPolarHBondContact O-CB 3.44Å; E476-A480 PolarHBondContact O-N 3.38Å; L477-A480 PolarHBondContact O-N 2.98Å; A480-R483 PolarHBondContact O-N 2.85Å; A480-L484 PolarHBondContact O-N 3.13Å
481	L	86.3	Confident	86.2	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-49.9	177	-158.9	-178.3	0	0	0	110.5	L464 V468 L477 W478 R483 L484 E485 V493	L464-L481 HydrophobicContact CB-CB 4.04Å; L464-L481 HydrophobicContact CB-CD1 4.35Å; L464-L481 HydrophobicContact CB-CG 3.86Å; L464-L481 HydrophobicContact CD1-CB 4.45Å; V468-L481 HydrophobicContact CB-CD1 4.35Å; V468-L481 HydrophobicContact CG1-CD1 3.87Å; V468-L481 HydrophobicContact CG2-CD1 3.53Å; L477-L481 VanDerWaalsContact O-CB 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.34Å; L477-L481 PolarHBondContact O-N 3.27Å; W478-L481 PolarHBondContact O-N 2.93Å; L481-R483 PolarHBondContact O-N 3.35Å; L481-R483 VanDerWaalsContact O-N 3.15Å; L481-L484 PolarHBondContact O-N 3.49Å; L481-E485 HydrophobicContact CD2-CB 4.41Å; L481-E485 HydrophobicContact CD2-CG 3.66Å; L481-E485 WeakPolarHBondContact CD2-OE1 3.5Å; L481-E485 PolarHBondContact O-N 3.44Å; L481-E485 VanDerWaalsContact O-N 3.15Å; L481-V493 HydrophobicContact CB-CG1 4.31Å; L481-V493 HydrophobicContact CD1-CG1 4.06Å; L481-V493 HydrophobicContact CD1-CG2 4.42Å; L481-V493 HydrophobicContact CD2-CB 4.47Å; L481-V493 HydrophobicContact CD2-CG1 3.99Å; L481-V493 HydrophobicContact CD2-CG2 3.86Å; L481-V493 HydrophobicContact CG-CG1 4.34Å
482	A	85.8	Confident	86.4	Confident	7 Å²	7	61 Å²	61	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-22.7	178.9	0	0	0	0	0	114	W478 A490 V493 L494	W478-A482 WeakPolarHBondContact O-CB 3.34Å; W478-A482 PolarHBondContact O-N 2.82Å; A482-A490 HydrophobicContact CB-CB 4.34Å; A482-A490 VanDerWaalsContact O-CB 3.31Å; A482-A490 WeakPolarHBondContact O-CB 3.39Å; A482-V493 HydrophobicContact CB-CG1 4.44Å; A482-L494 HydrophobicContact CB-CD1 3.98Å; A482-L494 HydrophobicContact CB-CD2 3.78Å; A482-L494 HydrophobicContact CB-CG 3.73Å
483	R	84.1	Confident	86.6	Confident	176 Å²	176	59.6 Å²	59.6	66%	0.664	29%	0.288	S	S	*	.	H	α-helix	trans	-81.3	-26.8	174.9	-170.7	-179.5	-63.2	142.9	0.6	113.5	L479 A480 L481	L479-R483 PolarHBondContact O-N 3.33Å; A480-R483 PolarHBondContact O-N 2.85Å; L481-R483 PolarHBondContact O-N 3.35Å; L481-R483 VanDerWaalsContact O-N 3.15Å
484	L	84.8	Confident	86.6	Confident	75 Å²	75	54 Å²	54	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-96	-6.8	-178.8	-70.4	172.7	0	0	0	113.4	P457 A460 L464 A480 L481	P457-L484 HydrophobicContact CB-CD2 4.16Å; A460-L484 HydrophobicContact CB-CD1 4.07Å; L464-L484 HydrophobicContact CD1-CD1 3.68Å; A480-L484 PolarHBondContact O-N 3.13Å; L481-L484 PolarHBondContact O-N 3.49Å
485	E	83.8	Confident	86.7	Confident	35 Å²	35	56.9 Å²	56.9	16%	0.164	27%	0.267	C	S	.	.	S	Bend	trans	-98	155.5	178.4	-88.2	-169.3	171.6	0	0	114.4	R461 L481 N489 A490 V493	R461-E485 HydrophobicContact CG-CG 3.88Å; L481-E485 HydrophobicContact CD2-CB 4.41Å; L481-E485 HydrophobicContact CD2-CG 3.66Å; L481-E485 WeakPolarHBondContact CD2-OE1 3.5Å; L481-E485 PolarHBondContact O-N 3.44Å; L481-E485 VanDerWaalsContact O-N 3.15Å; E485-N489 HydrophobicContact CB-CB 4.38Å; E485-N489 HydrophobicContact CG-CB 4.45Å; E485-N489 WeakPolarHBondContact OE2-CB 3.32Å; E485-A490 HydrophobicContact CB-CB 4.06Å; E485-A490 PolarHBondContact OE2-N 2.87Å; E485-V493 VanDerWaalsContact OE2-CG2 3.23Å; E485-V493 WeakPolarHBondContact OE2-CG2 3.44Å
486	T	87.9	Confident	86.8	Confident	90 Å²	90	60.2 Å²	60.2	55%	0.552	28%	0.279	S	S	*	.			trans	-58.9	143.3	166.4	55	0	0	0	0	111	E488 N489 A490	T486-E488 VanDerWaalsContact C-N 3.32Å; T486-E488 PolarHBondContact O-N 3.34Å; T486-E488 VanDerWaalsContact O-N 3.07Å; T486-N489 PolarHBondContact O-N 3.34Å; T486-N489 PolarHBondContact OG1-ND2 3.38Å; T486-A490 PolarHBondContact O-N 2.79Å
487	Y	85.9	Confident	86.9	Confident	64 Å²	64	55.1 Å²	55.1	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-39.7	-49.7	-177.8	171.5	-108.7	0	0	0	115.5	N489 R491 L514 E515 N518	Y487-N489 PolarHBondContact O-N 2.9Å; Y487-R491 WeakPolarHBondContact O-CB 3.48Å; Y487-R491 PolarHBondContact O-N 3.45Å; Y487-R491 PolarHBondContact OH-NH1 2.85Å; Y487-L514 HydrophobicContact CD2-CD1 4.46Å; Y487-L514 HydrophobicContact CD2-CD2 4.24Å; Y487-L514 HydrophobicContact CD2-CG 4.03Å; Y487-E515 PolarHBondContact OH-OE1 3.34Å; Y487-E515 PolarHBondContact OH-OE2 3.33Å; Y487-N518 HydrophobicContact CD2-CB 4.26Å
488	E	86.2	Confident	86.8	Confident	129 Å²	129	57.4 Å²	57.4	60%	0.603	26%	0.264	S	S	*	.	H	α-helix	trans	-62.9	-40.8	-179.3	-63.7	-167.6	172.6	0	0	113.8	T486 R492	T486-E488 VanDerWaalsContact C-N 3.32Å; T486-E488 PolarHBondContact O-N 3.34Å; T486-E488 VanDerWaalsContact O-N 3.07Å; E488-R492 WeakPolarHBondContact O-CG 2.96Å; E488-R492 PolarHBondContact O-N 2.82Å
489	N	86.3	Confident	86.8	Confident	57 Å²	57	64.4 Å²	64.4	31%	0.305	30%	0.297	S	S	.	.	H	α-helix	trans	-77.8	-42.8	-179.7	-67.9	-47	0	0	0	110.6	E485 T486 Y487 R491 R492 V493	E485-N489 HydrophobicContact CB-CB 4.38Å; E485-N489 HydrophobicContact CG-CB 4.45Å; E485-N489 WeakPolarHBondContact OE2-CB 3.32Å; T486-N489 PolarHBondContact O-N 3.34Å; T486-N489 PolarHBondContact OG1-ND2 3.38Å; Y487-N489 PolarHBondContact O-N 2.9Å; N489-R491 PolarHBondContact O-N 3.22Å; N489-R492 CarbonylContact O-C 3.59Å; N489-R492 WeakPolarHBondContact O-CA 3.46Å; N489-R492 WeakPolarHBondContact O-CB 3.37Å; N489-R492 PolarHBondContact O-N 3.36Å; N489-R492 PolarHBondContact OD1-NH1 3.08Å; N489-V493 WeakPolarHBondContact O-CG2 3.44Å; N489-V493 PolarHBondContact O-N 3.43Å
490	A	85.8	Confident	86.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-54.9	-38.7	172.3	0	0	0	0	0	111.9	A482 E485 T486 V493 L494 L514	A482-A490 HydrophobicContact CB-CB 4.34Å; A482-A490 VanDerWaalsContact O-CB 3.31Å; A482-A490 WeakPolarHBondContact O-CB 3.39Å; E485-A490 HydrophobicContact CB-CB 4.06Å; E485-A490 PolarHBondContact OE2-N 2.87Å; T486-A490 PolarHBondContact O-N 2.79Å; A490-V493 PolarHBondContact O-N 2.73Å; A490-L494 WeakPolarHBondContact O-CB 3.45Å; A490-L494 VanDerWaalsContact O-CG 3.24Å; A490-L494 WeakPolarHBondContact O-CG 3.43Å; A490-L494 PolarHBondContact O-N 3.48Å; A490-L514 HydrophobicContact CB-CD1 4.17Å; A490-L514 HydrophobicContact CB-CD2 3.57Å
491	R	86.8	Confident	86.8	Confident	113 Å²	113	66 Å²	66	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-37	173.1	-177.1	168.3	168.4	174	-7.3	113.5	Y487 N489 N495 E515	Y487-R491 WeakPolarHBondContact O-CB 3.48Å; Y487-R491 PolarHBondContact O-N 3.45Å; Y487-R491 PolarHBondContact OH-NH1 2.85Å; N489-R491 PolarHBondContact O-N 3.22Å; R491-N495 PolarHBondContact O-N 3.12Å; R491-N495 PolarHBondContact O-ND2 2.97Å; R491-N495 PolarHBondContact O-OD1 3.34Å; R491-E515 IonicContact NH1-OE1 2.86Å
492	R	88.3	Confident	86.7	Confident	150 Å²	150	68.4 Å²	68.4	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-66.6	-42.5	172.2	-66.8	170.1	-173	156	2.6	111.3	E488 N489 N495 K496	E488-R492 WeakPolarHBondContact O-CG 2.96Å; E488-R492 PolarHBondContact O-N 2.82Å; N489-R492 CarbonylContact O-C 3.59Å; N489-R492 WeakPolarHBondContact O-CA 3.46Å; N489-R492 WeakPolarHBondContact O-CB 3.37Å; N489-R492 PolarHBondContact O-N 3.36Å; N489-R492 PolarHBondContact OD1-NH1 3.08Å; R492-N495 WeakPolarHBondContact O-CB 3.27Å; R492-N495 PolarHBondContact O-N 3.39Å; R492-K496 PolarHBondContact O-N 3.04Å
493	V	89	Confident	86.7	Confident	17 Å²	17	71.8 Å²	71.8	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-46	176.3	167.6	0	0	0	0	110.8	W478 L481 A482 E485 N489 A490 N495 K496 A497	W478-V493 HydrophobicContact CE3-CG1 3.63Å; W478-V493 HydrophobicContact CZ3-CG1 4.04Å; L481-V493 HydrophobicContact CB-CG1 4.31Å; L481-V493 HydrophobicContact CD1-CG1 4.06Å; L481-V493 HydrophobicContact CD1-CG2 4.42Å; L481-V493 HydrophobicContact CD2-CB 4.47Å; L481-V493 HydrophobicContact CD2-CG1 3.99Å; L481-V493 HydrophobicContact CD2-CG2 3.86Å; L481-V493 HydrophobicContact CG-CG1 4.34Å; A482-V493 HydrophobicContact CB-CG1 4.44Å; E485-V493 VanDerWaalsContact OE2-CG2 3.23Å; E485-V493 WeakPolarHBondContact OE2-CG2 3.44Å; N489-V493 WeakPolarHBondContact O-CG2 3.44Å; N489-V493 PolarHBondContact O-N 3.43Å; A490-V493 PolarHBondContact O-N 2.73Å; V493-N495 VanDerWaalsContact C-N 3.34Å; V493-N495 PolarHBondContact O-N 3.04Å; V493-K496 CarbonylContact O-C 3.45Å; V493-K496 PolarHBondContact O-N 2.91Å; V493-A497 WeakPolarHBondContact O-CB 3.45Å; V493-A497 PolarHBondContact O-N 3.32Å
494	L	87.5	Confident	86.8	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-70.4	-25.8	176.7	-67.9	167.3	0	0	0	113.2	A482 A490 R498 I507 A511 L514	A482-L494 HydrophobicContact CB-CD1 3.98Å; A482-L494 HydrophobicContact CB-CD2 3.78Å; A482-L494 HydrophobicContact CB-CG 3.73Å; A490-L494 WeakPolarHBondContact O-CB 3.45Å; A490-L494 VanDerWaalsContact O-CG 3.24Å; A490-L494 WeakPolarHBondContact O-CG 3.43Å; A490-L494 PolarHBondContact O-N 3.48Å; L494-R498 WeakPolarHBondContact O-CB 3.3Å; L494-R498 VanDerWaalsContact O-CG 3.32Å; L494-R498 WeakPolarHBondContact O-CG 3.37Å; L494-R498 PolarHBondContact O-N 3Å; L494-R498 VanDerWaalsContact O-N 3.12Å; L494-R498 PolarHBondContact O-NE 3.09Å; L494-R498 VanDerWaalsContact O-NE 3.12Å; L494-I507 HydrophobicContact CD2-CG2 3.94Å; L494-A511 HydrophobicContact CD1-CB 3.98Å; L494-L514 HydrophobicContact CD1-CD2 3.8Å
495	N	89.4	Confident	86.9	Confident	77 Å²	77	63 Å²	63	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-48.5	166.6	-72.5	-12.9	0	0	0	111.1	R491 R492 V493 A497 R498 E499	R491-N495 PolarHBondContact O-N 3.12Å; R491-N495 PolarHBondContact O-ND2 2.97Å; R491-N495 PolarHBondContact O-OD1 3.34Å; R492-N495 WeakPolarHBondContact O-CB 3.27Å; R492-N495 PolarHBondContact O-N 3.39Å; V493-N495 VanDerWaalsContact C-N 3.34Å; V493-N495 PolarHBondContact O-N 3.04Å; N495-A497 VanDerWaalsContact C-N 3.31Å; N495-A497 PolarHBondContact O-N 3.29Å; N495-R498 PolarHBondContact O-N 3.29Å; N495-R498 PolarHBondContact OD1-NH2 3.23Å; N495-E499 PolarHBondContact O-N 3.44Å
496	K	88.6	Confident	87.1	Confident	103 Å²	103	64 Å²	64	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-65	-34.1	178.5	-164	173.3	-178.5	-177.9	0	112.1	W478 R492 V493 E499 N500	W478-K496 HydrophobicContact CH2-CB 4.14Å; W478-K496 HydrophobicContact CH2-CD 3.93Å; W478-K496 HydrophobicContact CH2-CG 3.79Å; W478-K496 HydrophobicContact CZ3-CB 4.15Å; W478-K496 HydrophobicContact CZ3-CD 4.35Å; W478-K496 HydrophobicContact CZ3-CG 4.28Å; R492-K496 PolarHBondContact O-N 3.04Å; V493-K496 CarbonylContact O-C 3.45Å; V493-K496 PolarHBondContact O-N 2.91Å; K496-E499 PolarHBondContact O-N 3.03Å; K496-N500 PolarHBondContact O-N 3.27Å; K496-N500 VanDerWaalsContact O-N 3.11Å; K496-N500 PolarHBondContact O-ND2 3.19Å
497	A	88.3	Confident	87.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-44.1	172.3	0	0	0	0	0	111.5	W478 V493 N495 E499 N500 I501 I507	W478-A497 HydrophobicContact CB-CB 3.79Å; W478-A497 HydrophobicContact CD2-CB 3.64Å; W478-A497 HydrophobicContact CE3-CB 3.89Å; W478-A497 HydrophobicContact CG-CB 3.61Å; V493-A497 WeakPolarHBondContact O-CB 3.45Å; V493-A497 PolarHBondContact O-N 3.32Å; N495-A497 VanDerWaalsContact C-N 3.31Å; N495-A497 PolarHBondContact O-N 3.29Å; A497-E499 VanDerWaalsContact C-N 3.33Å; A497-E499 PolarHBondContact O-N 2.99Å; A497-N500 PolarHBondContact O-N 2.92Å; A497-I501 WeakPolarHBondContact O-CA 3.38Å; A497-I501 PolarHBondContact O-N 3.23Å; A497-I507 HydrophobicContact CB-CD1 3.98Å; A497-I507 HydrophobicContact CB-CG1 4.31Å; A497-I507 HydrophobicContact CB-CG2 3.95Å
498	R	87.1	Confident	87.3	Confident	50 Å²	50	57.9 Å²	57.9	19%	0.189	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-33.8	175.3	-77.9	-179.8	-76.9	-158.5	-4.2	113.6	L494 N495 I501 P502 I507 W508	L494-R498 WeakPolarHBondContact O-CB 3.3Å; L494-R498 VanDerWaalsContact O-CG 3.32Å; L494-R498 WeakPolarHBondContact O-CG 3.37Å; L494-R498 PolarHBondContact O-N 3Å; L494-R498 VanDerWaalsContact O-N 3.12Å; L494-R498 PolarHBondContact O-NE 3.09Å; L494-R498 VanDerWaalsContact O-NE 3.12Å; N495-R498 PolarHBondContact O-N 3.29Å; N495-R498 PolarHBondContact OD1-NH2 3.23Å; R498-I501 CarbonylContact O-C 3.5Å; R498-P502 WeakPolarHBondContact O-CA 3.48Å; R498-P502 WeakPolarHBondContact O-CG 3.45Å; R498-I507 HydrophobicContact CG-CG2 3.64Å; R498-W508 VanDerWaalsContact CD-CZ2 3.45Å; R498-W508 HydrophobicContact CG-CZ2 4.28Å
499	E	88.1	Confident	87.4	Confident	151 Å²	151	52.1 Å²	52.1	71%	0.706	25%	0.245	S	C	*	.	H	α-helix	trans	-66.9	-45.1	174.7	-175.1	-178.4	-169.4	0	0	111.5	N495 K496 A497	N495-E499 PolarHBondContact O-N 3.44Å; K496-E499 PolarHBondContact O-N 3.03Å; A497-E499 VanDerWaalsContact C-N 3.33Å; A497-E499 PolarHBondContact O-N 2.99Å
500	N	86.7	Confident	87.4	Confident	76 Å²	76	50.5 Å²	50.5	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-77.3	-28.7	179.2	-73.4	-77.5	0	0	0	113.5	P472 K496 A497	P472-N500 HydrophobicContact CB-CB 4.4Å; K496-N500 PolarHBondContact O-N 3.27Å; K496-N500 VanDerWaalsContact O-N 3.11Å; K496-N500 PolarHBondContact O-ND2 3.19Å; A497-N500 PolarHBondContact O-N 2.92Å
501	I	85.6	Confident	87.4	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.067	24%	0.239	C	C	.	.			trans	-136.1	77.6	-176.9	-43.4	174.5	0	0	0	110	P472 T473 V475 A497 R498 T503 D504 I507	P472-I501 WeakPolarHBondContact O-CD1 3.44Å; T473-I501 VanDerWaalsContact C-CD1 3.43Å; T473-I501 WeakPolarHBondContact O-CD1 3.25Å; V475-I501 HydrophobicContact CB-CD1 4.45Å; V475-I501 HydrophobicContact CG1-CD1 3.57Å; V475-I501 HydrophobicContact CG1-CG2 4.06Å; A497-I501 WeakPolarHBondContact O-CA 3.38Å; A497-I501 PolarHBondContact O-N 3.23Å; R498-I501 CarbonylContact O-C 3.5Å; I501-T503 PolarHBondContact O-N 3.08Å; I501-D504 HydrophobicContact CG2-CB 3.78Å; I501-I507 HydrophobicContact CB-CD1 3.86Å; I501-I507 HydrophobicContact CD1-CD1 4.32Å; I501-I507 HydrophobicContact CG2-CD1 4.34Å
502	P	85.3	Confident	87.4	Confident	51 Å²	51	45.4 Å²	45.4	33%	0.331	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.6	179.1	-18.8	33.2	0	0	0	114.4	R498 N538	R498-P502 WeakPolarHBondContact O-CA 3.48Å; R498-P502 WeakPolarHBondContact O-CG 3.45Å; P502-N538 WeakPolarHBondContact CB-ND2 3.37Å; P502-N538 PolarHBondContact O-ND2 3.49Å
503	T	86.4	Confident	87.2	Confident	79 Å²	79	39.8 Å²	39.8	49%	0.485	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-9.8	-171.4	52	0	0	0	0	114.6	I501 L535 V540	I501-T503 PolarHBondContact O-N 3.08Å; T503-L535 WeakPolarHBondContact O-CD2 3.24Å; T503-V540 HydrophobicContact CG2-CG2 4.33Å
504	D	84.4	Confident	87.1	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.123	20%	0.199	C	C	.	.			trans	-93	139.7	-178.7	177.8	43.3	0	0	0	112.8	V475 I501 H506 I507 W508	V475-D504 HydrophobicContact CG1-CB 3.73Å; V475-D504 WeakPolarHBondContact CG1-OD2 3.43Å; I501-D504 HydrophobicContact CG2-CB 3.78Å; D504-H506 VanDerWaalsContact CG-N 3.35Å; D504-H506 IonicContact OD1-CD2 2.71Å; D504-H506 PolarHBondContact OD1-CD2 3.29Å; D504-H506 VanDerWaalsContact OD1-CD2 3.3Å; D504-H506 IonicContact OD1-CG 3.44Å; D504-H506 PolarHBondContact OD1-N 2.92Å; D504-H506 VanDerWaalsContact OD1-N 3.12Å; D504-H506 WeakPolarHBondContact OD2-CB 3.24Å; D504-H506 PolarHBondContact OD2-N 2.94Å; D504-H506 VanDerWaalsContact OD2-N 3.17Å; D504-I507 HydrophobicContact CB-CD1 4.16Å; D504-I507 WeakPolarHBondContact OD2-CG1 3.37Å; D504-I507 PolarHBondContact OD2-N 3.34Å; D504-W508 VanDerWaalsContact O-CD1 3.32Å
505	R	86.9	Confident	86.9	Confident	44 Å²	44	40.4 Å²	40.4	17%	0.166	20%	0.201	C	C	.	.	S	Bend	trans	-86.3	-30.5	175.3	60.3	-176.9	148.7	54.8	16.5	113.3	I507 W508 I509 L535 W547 D550	R505-I507 VanDerWaalsContact C-N 3.27Å; R505-I507 PolarHBondContact O-N 2.86Å; R505-W508 WeakPolarHBondContact O-CA 3.49Å; R505-W508 WeakPolarHBondContact O-CB 3.36Å; R505-W508 PolarHBondContact O-N 3.21Å; R505-I509 PolarHBondContact O-N 3.15Å; R505-L535 HydrophobicContact CB-CD1 3.76Å; R505-W547 HydrophobicContact CB-CH2 4.21Å; R505-W547 HydrophobicContact CB-CZ2 3.88Å; R505-D550 WeakPolarHBondContact CD-OD2 3.45Å; R505-D550 IonicContact CZ-OD2 3.29Å; R505-D550 IonicContact NE-OD2 2.68Å; R505-D550 IonicContact NH1-OD1 3.61Å; R505-D550 PolarHBondContact NH1-OD1 3.21Å; R505-D550 IonicContact NH1-OD2 3.64Å; R505-D550 PolarHBondContact NH1-OD2 3.46Å
506	H	88.6	Confident	86.7	Confident	55 Å²	55	38 Å²	38	26%	0.255	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-31.1	-175.3	-61.1	-82.8	0	0	0	112.4	L479 D504 W508 I509 T510 D550	L479-H506 HydrophobicContact CD1-CB 3.79Å; D504-H506 VanDerWaalsContact CG-N 3.35Å; D504-H506 IonicContact OD1-CD2 2.71Å; D504-H506 PolarHBondContact OD1-CD2 3.29Å; D504-H506 VanDerWaalsContact OD1-CD2 3.3Å; D504-H506 IonicContact OD1-CG 3.44Å; D504-H506 PolarHBondContact OD1-N 2.92Å; D504-H506 VanDerWaalsContact OD1-N 3.12Å; D504-H506 WeakPolarHBondContact OD2-CB 3.24Å; D504-H506 PolarHBondContact OD2-N 2.94Å; D504-H506 VanDerWaalsContact OD2-N 3.17Å; H506-W508 VanDerWaalsContact C-N 3.28Å; H506-W508 PolarHBondContact O-N 2.91Å; H506-I509 PolarHBondContact O-N 3.13Å; H506-T510 WeakPolarHBondContact O-CB 3.41Å; H506-T510 WeakPolarHBondContact O-CG2 3.36Å; H506-T510 PolarHBondContact O-N 3.49Å; H506-T510 PolarHBondContact O-OG1 2.89Å; H506-D550 IonicContact CE1-OD1 2.75Å; H506-D550 PolarHBondContact CE1-OD1 3.15Å; H506-D550 IonicContact CE1-OD2 3.65Å; H506-D550 IonicContact ND1-OD1 2.68Å; H506-D550 PolarHBondContact ND1-OD1 3.25Å
507	I	89.5	Confident	86.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-36.2	171.2	-60.6	163.9	0	0	0	111.9	V475 L479 L494 A497 R498 I501 D504 R505 T510 A511	V475-I507 HydrophobicContact CG1-CD1 4.32Å; L479-I507 HydrophobicContact CD2-CG1 4.03Å; L494-I507 HydrophobicContact CD2-CG2 3.94Å; A497-I507 HydrophobicContact CB-CD1 3.98Å; A497-I507 HydrophobicContact CB-CG1 4.31Å; A497-I507 HydrophobicContact CB-CG2 3.95Å; R498-I507 HydrophobicContact CG-CG2 3.64Å; I501-I507 HydrophobicContact CB-CD1 3.86Å; I501-I507 HydrophobicContact CD1-CD1 4.32Å; I501-I507 HydrophobicContact CG2-CD1 4.34Å; D504-I507 HydrophobicContact CB-CD1 4.16Å; D504-I507 WeakPolarHBondContact OD2-CG1 3.37Å; D504-I507 PolarHBondContact OD2-N 3.34Å; R505-I507 VanDerWaalsContact C-N 3.27Å; R505-I507 PolarHBondContact O-N 2.86Å; I507-T510 WeakPolarHBondContact CA-OG1 3.29Å; I507-T510 PolarHBondContact O-OG1 3.46Å; I507-T510 VanDerWaalsContact O-OG1 3.09Å; I507-A511 WeakPolarHBondContact O-CB 3.38Å; I507-A511 PolarHBondContact O-N 3.16Å
508	W	88.3	Confident	86.3	Confident	25 Å²	25	40.5 Å²	40.5	10%	0.095	22%	0.216	C	C	.	.	H	α-helix	trans	-76.7	-40.6	177.2	-68.6	95.9	0	0	0	112.5	R498 D504 R505 H506 A511 A512 I527 R530 A531	R498-W508 VanDerWaalsContact CD-CZ2 3.45Å; R498-W508 HydrophobicContact CG-CZ2 4.28Å; D504-W508 VanDerWaalsContact O-CD1 3.32Å; R505-W508 WeakPolarHBondContact O-CA 3.49Å; R505-W508 WeakPolarHBondContact O-CB 3.36Å; R505-W508 PolarHBondContact O-N 3.21Å; H506-W508 VanDerWaalsContact C-N 3.28Å; H506-W508 PolarHBondContact O-N 2.91Å; W508-A511 PolarHBondContact O-N 3.11Å; W508-A512 PolarHBondContact O-N 3.03Å; W508-I527 HydrophobicContact CE3-CG2 3.98Å; W508-R530 HydrophobicContact CH2-CB 4.28Å; W508-R530 HydrophobicContact CZ3-CB 3.91Å; W508-A531 HydrophobicContact CB-CB 3.41Å; W508-A531 VanDerWaalsContact CB-CB 3.41Å; W508-A531 HydrophobicContact CD2-CB 3.41Å; W508-A531 VanDerWaalsContact CD2-CB 3.41Å; W508-A531 HydrophobicContact CE3-CB 3.62Å; W508-A531 HydrophobicContact CG-CB 3.33Å; W508-A531 HydrophobicContact CZ3-CB 4.48Å
509	I	88.1	Confident	85.8	Confident	9 Å²	9	45 Å²	45	5%	0.046	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-43	174.9	-58.7	-48.8	0	0	0	110.7	R505 H506 A512 K513 W547 V566	R505-I509 PolarHBondContact O-N 3.15Å; H506-I509 PolarHBondContact O-N 3.13Å; I509-A512 WeakPolarHBondContact O-CB 3.07Å; I509-A512 PolarHBondContact O-N 2.88Å; I509-A512 VanDerWaalsContact O-N 3.16Å; I509-K513 HydrophobicContact CG2-CD 4.23Å; I509-K513 WeakPolarHBondContact O-CG 3.32Å; I509-K513 PolarHBondContact O-N 3.45Å; I509-W547 HydrophobicContact CD1-CE3 4.12Å; I509-W547 HydrophobicContact CD1-CZ3 3.75Å; I509-V566 HydrophobicContact CD1-CG2 3.5Å; I509-V566 VanDerWaalsContact CD1-CG2 3.5Å
510	T	87.3	Confident	85.6	Confident	23 Å²	23	40.9 Å²	40.9	14%	0.141	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-34.7	176.1	49.7	0	0	0	0	113.4	L479 H506 I507 A512 K513 L514	L479-T510 HydrophobicContact CB-CG2 4.31Å; L479-T510 HydrophobicContact CD1-CG2 3.95Å; L479-T510 HydrophobicContact CD2-CG2 3.92Å; L479-T510 WeakPolarHBondContact CD2-OG1 3.32Å; L479-T510 HydrophobicContact CG-CG2 4.25Å; H506-T510 WeakPolarHBondContact O-CB 3.41Å; H506-T510 WeakPolarHBondContact O-CG2 3.36Å; H506-T510 PolarHBondContact O-N 3.49Å; H506-T510 PolarHBondContact O-OG1 2.89Å; I507-T510 WeakPolarHBondContact CA-OG1 3.29Å; I507-T510 PolarHBondContact O-OG1 3.46Å; I507-T510 VanDerWaalsContact O-OG1 3.09Å; T510-A512 VanDerWaalsContact C-N 3.28Å; T510-A512 PolarHBondContact O-N 3.21Å; T510-K513 PolarHBondContact O-N 3.4Å; T510-L514 WeakPolarHBondContact O-CB 3.48Å; T510-L514 PolarHBondContact O-N 3.11Å
511	A	86.4	Confident	85	Confident	5 Å²	5	41 Å²	41	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-39.2	168.4	0	0	0	0	0	111.9	L494 I507 W508 L514 E515 I527	L494-A511 HydrophobicContact CD1-CB 3.98Å; I507-A511 WeakPolarHBondContact O-CB 3.38Å; I507-A511 PolarHBondContact O-N 3.16Å; W508-A511 PolarHBondContact O-N 3.11Å; A511-L514 PolarHBondContact O-N 3.38Å; A511-E515 WeakPolarHBondContact O-CG 3.41Å; A511-E515 PolarHBondContact O-N 3.39Å; A511-I527 HydrophobicContact CB-CG2 4.3Å
512	A	86.1	Confident	84.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-46	175.1	0	0	0	0	0	111.3	W508 I509 T510 L514 E515 E516 V524 I527 I528 T562	W508-A512 PolarHBondContact O-N 3.03Å; I509-A512 WeakPolarHBondContact O-CB 3.07Å; I509-A512 PolarHBondContact O-N 2.88Å; I509-A512 VanDerWaalsContact O-N 3.16Å; T510-A512 VanDerWaalsContact C-N 3.28Å; T510-A512 PolarHBondContact O-N 3.21Å; A512-L514 VanDerWaalsContact C-N 3.3Å; A512-L514 PolarHBondContact O-N 3.08Å; A512-E515 PolarHBondContact O-N 3.27Å; A512-E516 PolarHBondContact O-N 3.05Å; A512-V524 HydrophobicContact CB-CG1 4.35Å; A512-I527 HydrophobicContact CB-CG2 4.34Å; A512-I528 HydrophobicContact CB-CD1 4.18Å; A512-I528 HydrophobicContact CB-CG1 4.22Å; A512-T562 HydrophobicContact CB-CG2 3.68Å; A512-T562 WeakPolarHBondContact O-CG2 3.17Å
513	K	84.8	Confident	84.7	Confident	32 Å²	32	47 Å²	47	14%	0.139	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-37.4	175.1	-68.9	175.4	82.9	160.8	0	112.7	I509 T510 E516 A517 C554 A557	I509-K513 HydrophobicContact CG2-CD 4.23Å; I509-K513 WeakPolarHBondContact O-CG 3.32Å; I509-K513 PolarHBondContact O-N 3.45Å; T510-K513 PolarHBondContact O-N 3.4Å; K513-E516 PolarHBondContact O-N 3.02Å; K513-A517 VanDerWaalsContact O-CB 3.32Å; K513-A517 WeakPolarHBondContact O-CB 3.43Å; K513-A517 PolarHBondContact O-N 2.95Å; K513-C554 HydrophobicContact CD-CB 4.4Å; K513-C554 WeakPolarHBondContact CD-SG 3.34Å; K513-C554 WeakPolarHBondContact CG-SG 3.42Å; K513-A557 VanDerWaalsContact NZ-CB 3.3Å
514	L	85.3	Confident	84.6	Confident	24 Å²	24	43.3 Å²	43.3	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-41	176.9	-180	68.7	0	0	0	112.1	Y487 A490 L494 T510 A511 A512 N518	Y487-L514 HydrophobicContact CD2-CD1 4.46Å; Y487-L514 HydrophobicContact CD2-CD2 4.24Å; Y487-L514 HydrophobicContact CD2-CG 4.03Å; A490-L514 HydrophobicContact CB-CD1 4.17Å; A490-L514 HydrophobicContact CB-CD2 3.57Å; L494-L514 HydrophobicContact CD1-CD2 3.8Å; T510-L514 WeakPolarHBondContact O-CB 3.48Å; T510-L514 PolarHBondContact O-N 3.11Å; A511-L514 PolarHBondContact O-N 3.38Å; A512-L514 VanDerWaalsContact C-N 3.3Å; A512-L514 PolarHBondContact O-N 3.08Å; L514-N518 PolarHBondContact O-N 3.4Å; L514-N518 PolarHBondContact O-ND2 3.48Å
515	E	84.3	Confident	84.6	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-35.9	177.7	-63.4	-87.1	178.2	0	0	111.4	Y487 R491 A511 A512 N518 D519 N520 V524 I527	Y487-E515 PolarHBondContact OH-OE1 3.34Å; Y487-E515 PolarHBondContact OH-OE2 3.33Å; R491-E515 IonicContact NH1-OE1 2.86Å; A511-E515 WeakPolarHBondContact O-CG 3.41Å; A511-E515 PolarHBondContact O-N 3.39Å; A512-E515 PolarHBondContact O-N 3.27Å; E515-N518 CarbonylContact O-C 3.57Å; E515-N518 PolarHBondContact O-N 3.02Å; E515-D519 PolarHBondContact O-N 3.25Å; E515-N520 HydrophobicContact CB-CB 4.38Å; E515-N520 PolarHBondContact O-N 3.43Å; E515-N520 WeakPolarHBondContact OE2-CB 3.43Å; E515-N520 PolarHBondContact OE2-ND2 3.07Å; E515-V524 HydrophobicContact CB-CG2 4.27Å; E515-I527 HydrophobicContact CB-CD1 4.49Å; E515-I527 HydrophobicContact CG-CD1 3.63Å
516	E	85.6	Confident	84.6	Confident	28 Å²	28	49.7 Å²	49.7	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-42.9	172.1	-175.6	172.9	-177	0	0	112.1	A512 K513 N518 D519 V524 S559 V560 A561 T562	A512-E516 PolarHBondContact O-N 3.05Å; K513-E516 PolarHBondContact O-N 3.02Å; E516-N518 PolarHBondContact O-N 3Å; E516-N518 VanDerWaalsContact O-N 3.09Å; E516-D519 PolarHBondContact O-N 2.86Å; E516-V524 HydrophobicContact CB-CG2 4.2Å; E516-S559 VanDerWaalsContact OE2-C 3.23Å; E516-S559 WeakPolarHBondContact OE2-CA 3.2Å; E516-S559 WeakPolarHBondContact OE2-CB 3.16Å; E516-V560 PolarHBondContact OE1-N 2.93Å; E516-A561 HydrophobicContact CG-CB 4.35Å; E516-A561 WeakPolarHBondContact OE1-CB 3.36Å; E516-A561 PolarHBondContact OE1-N 3.12Å; E516-A561 PolarHBondContact OE2-N 2.85Å; E516-T562 HydrophobicContact CB-CG2 3.88Å; E516-T562 VanDerWaalsContact OE2-CB 3.25Å; E516-T562 WeakPolarHBondContact OE2-CB 3.49Å; E516-T562 WeakPolarHBondContact OE2-CG2 3.36Å; E516-T562 PolarHBondContact OE2-N 3.43Å; E516-T562 PolarHBondContact OE2-OG1 2.94Å
517	A	84.7	Confident	84.5	Confident	76 Å²	76	47.6 Å²	47.6	63%	0.628	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.1	177	0	0	0	0	0	114.5	K513	K513-A517 VanDerWaalsContact O-CB 3.32Å; K513-A517 WeakPolarHBondContact O-CB 3.43Å; K513-A517 PolarHBondContact O-N 2.95Å
518	N	82.8	Confident	84.4	Confident	79 Å²	79	47.6 Å²	47.6	42%	0.422	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	29.8	174.3	-64.4	-89.6	0	0	0	111.3	Y487 L514 E515 E516 N520	Y487-N518 HydrophobicContact CD2-CB 4.26Å; L514-N518 PolarHBondContact O-N 3.4Å; L514-N518 PolarHBondContact O-ND2 3.48Å; E515-N518 CarbonylContact O-C 3.57Å; E515-N518 PolarHBondContact O-N 3.02Å; E516-N518 PolarHBondContact O-N 3Å; E516-N518 VanDerWaalsContact O-N 3.09Å; N518-N520 PolarHBondContact O-N 2.94Å
519	D	77.3	Confident	84.4	Confident	145 Å²	145	50.5 Å²	50.5	78%	0.775	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	7.6	174.9	-65.3	-45.7	0	0	0	117.2	E515 E516 T521	E515-D519 PolarHBondContact O-N 3.25Å; E516-D519 PolarHBondContact O-N 2.86Å; D519-T521 PolarHBondContact O-N 2.92Å
520	N	82.5	Confident	84.3	Confident	64 Å²	64	57 Å²	57	34%	0.342	29%	0.292	S	S	.	.			trans	-85	51.5	-177.6	-163.6	13.8	0	0	0	113.1	E515 N518 Q522 M523	E515-N520 HydrophobicContact CB-CB 4.38Å; E515-N520 PolarHBondContact O-N 3.43Å; E515-N520 WeakPolarHBondContact OE2-CB 3.43Å; E515-N520 PolarHBondContact OE2-ND2 3.07Å; N518-N520 PolarHBondContact O-N 2.94Å; N520-Q522 PolarHBondContact O-N 2.79Å; N520-Q522 VanDerWaalsContact O-N 3.1Å; N520-M523 WeakPolarHBondContact ND2-CB 3.45Å; N520-M523 PolarHBondContact O-N 2.9Å
521	T	75.9	Confident	84.3	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.472	29%	0.285	S	S	.	.	H	α-helix	trans	-54.9	-30.7	-171.7	54.4	0	0	0	0	115	D519 M523 V524	D519-T521 PolarHBondContact O-N 2.92Å; T521-M523 VanDerWaalsContact C-N 3.32Å; T521-M523 PolarHBondContact O-N 3.17Å; T521-V524 WeakPolarHBondContact O-CB 3.39Å
522	Q	80.9	Confident	84.2	Confident	151 Å²	151	56.2 Å²	56.2	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-75.3	-18.4	179.5	-61.4	-177.4	13.6	0	0	114	N520	N520-Q522 PolarHBondContact O-N 2.79Å; N520-Q522 VanDerWaalsContact O-N 3.1Å
523	M	82.4	Confident	84.3	Confident	40 Å²	40	60.9 Å²	60.9	20%	0.197	32%	0.315	C	S	.	.	H	α-helix	trans	-84.1	-25.6	179.4	-167.8	60.9	-167.4	0	0	112	N520 T521 E525 K526 I527	N520-M523 WeakPolarHBondContact ND2-CB 3.45Å; N520-M523 PolarHBondContact O-N 2.9Å; T521-M523 VanDerWaalsContact C-N 3.32Å; T521-M523 PolarHBondContact O-N 3.17Å; M523-E525 PolarHBondContact O-N 2.77Å; M523-K526 PolarHBondContact O-N 2.93Å; M523-K526 HydrophobicContact SD-CB 4.33Å; M523-K526 HydrophobicContact SD-CD 4.25Å; M523-I527 HydrophobicContact CE-CD1 4.43Å; M523-I527 HydrophobicContact CE-CG1 4.05Å; M523-I527 HydrophobicContact CG-CD1 3.85Å; M523-I527 HydrophobicContact CG-CG1 4.21Å; M523-I527 WeakPolarHBondContact O-CG1 3.48Å; M523-I527 PolarHBondContact O-N 3.4Å
524	V	84.1	Confident	84.4	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-51.6	-54.6	178.4	167.4	0	0	0	0	112.5	A512 E515 E516 T521 K526 I527 I528 T562 A565	A512-V524 HydrophobicContact CB-CG1 4.35Å; E515-V524 HydrophobicContact CB-CG2 4.27Å; E516-V524 HydrophobicContact CB-CG2 4.2Å; T521-V524 WeakPolarHBondContact O-CB 3.39Å; V524-K526 VanDerWaalsContact C-N 3.35Å; V524-K526 PolarHBondContact O-N 3.34Å; V524-I527 PolarHBondContact O-N 2.86Å; V524-I527 VanDerWaalsContact O-N 3.11Å; V524-I528 HydrophobicContact CG1-CD1 3.87Å; V524-I528 PolarHBondContact O-N 2.93Å; V524-I528 VanDerWaalsContact O-N 3.11Å; V524-T562 HydrophobicContact CB-CG2 4.35Å; V524-T562 HydrophobicContact CG1-CG2 3.48Å; V524-T562 VanDerWaalsContact CG1-CG2 3.48Å; V524-T562 HydrophobicContact CG2-CG2 3.92Å; V524-A565 HydrophobicContact CG1-CB 3.96Å
525	E	84.1	Confident	84.4	Confident	92 Å²	92	60.1 Å²	60.1	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-45.6	-179.4	-169	167.4	-130.7	0	0	111.1	M523 I527 I528 D529 A565 R568	M523-E525 PolarHBondContact O-N 2.77Å; E525-I527 VanDerWaalsContact C-N 3.27Å; E525-I527 PolarHBondContact O-N 3.13Å; E525-I528 PolarHBondContact O-N 3.3Å; E525-I528 VanDerWaalsContact O-N 3.14Å; E525-D529 PolarHBondContact O-N 2.83Å; E525-A565 HydrophobicContact CB-CB 4.37Å; E525-R568 IonicContact OE1-NH1 3.68Å; E525-R568 PolarHBondContact OE1-NH1 3.41Å
526	K	87.4	Confident	84.4	Confident	109 Å²	109	67.1 Å²	67.1	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-28.2	177.1	-62.3	172.8	-174.6	166.2	0	113.4	M523 V524 R530	M523-K526 PolarHBondContact O-N 2.93Å; M523-K526 HydrophobicContact SD-CB 4.33Å; M523-K526 HydrophobicContact SD-CD 4.25Å; V524-K526 VanDerWaalsContact C-N 3.35Å; V524-K526 PolarHBondContact O-N 3.34Å; K526-R530 WeakPolarHBondContact O-CB 3.4Å; K526-R530 VanDerWaalsContact O-CD 3.22Å; K526-R530 WeakPolarHBondContact O-CD 3.37Å; K526-R530 WeakPolarHBondContact O-CG 3.36Å; K526-R530 PolarHBondContact O-N 3.44Å
527	I	87.3	Confident	84.5	Confident	10 Å²	10	69.8 Å²	69.8	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-74.9	-40	175.6	-73.7	168.3	0	0	0	110.4	W508 A511 A512 E515 M523 V524 E525 R530 A531	W508-I527 HydrophobicContact CE3-CG2 3.98Å; A511-I527 HydrophobicContact CB-CG2 4.3Å; A512-I527 HydrophobicContact CB-CG2 4.34Å; E515-I527 HydrophobicContact CB-CD1 4.49Å; E515-I527 HydrophobicContact CG-CD1 3.63Å; M523-I527 HydrophobicContact CE-CD1 4.43Å; M523-I527 HydrophobicContact CE-CG1 4.05Å; M523-I527 HydrophobicContact CG-CD1 3.85Å; M523-I527 HydrophobicContact CG-CG1 4.21Å; M523-I527 WeakPolarHBondContact O-CG1 3.48Å; M523-I527 PolarHBondContact O-N 3.4Å; V524-I527 PolarHBondContact O-N 2.86Å; V524-I527 VanDerWaalsContact O-N 3.11Å; E525-I527 VanDerWaalsContact C-N 3.27Å; E525-I527 PolarHBondContact O-N 3.13Å; I527-R530 PolarHBondContact O-N 3.19Å; I527-A531 WeakPolarHBondContact O-CB 3.42Å; I527-A531 PolarHBondContact O-N 2.73Å
528	I	86.5	Confident	84.5	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-41	-179.6	-69.8	156.8	0	0	0	111.2	A512 V524 E525 R530 A531 I532 A565 V566 A569	A512-I528 HydrophobicContact CB-CD1 4.18Å; A512-I528 HydrophobicContact CB-CG1 4.22Å; V524-I528 HydrophobicContact CG1-CD1 3.87Å; V524-I528 PolarHBondContact O-N 2.93Å; V524-I528 VanDerWaalsContact O-N 3.11Å; E525-I528 PolarHBondContact O-N 3.3Å; E525-I528 VanDerWaalsContact O-N 3.14Å; I528-R530 VanDerWaalsContact C-N 3.31Å; I528-R530 PolarHBondContact O-N 2.74Å; I528-A531 VanDerWaalsContact O-CB 3.31Å; I528-A531 WeakPolarHBondContact O-CB 3.33Å; I528-A531 PolarHBondContact O-N 3.34Å; I528-A531 VanDerWaalsContact O-N 3.14Å; I528-I532 HydrophobicContact CG2-CD1 4.05Å; I528-I532 PolarHBondContact O-N 2.96Å; I528-A565 HydrophobicContact CD1-CB 3.47Å; I528-A565 VanDerWaalsContact CD1-CB 3.47Å; I528-V566 HydrophobicContact CD1-CG2 3.71Å; I528-V566 HydrophobicContact CG1-CG2 4.16Å; I528-A569 HydrophobicContact CG2-CB 4.02Å
529	D	87.6	Confident	84.3	Confident	86 Å²	86	69.1 Å²	69.1	46%	0.46	37%	0.37	S	S	.	.	H	α-helix	trans	-59.6	-42.3	172.2	-75.7	-22.7	0	0	0	112	E525 T533	E525-D529 PolarHBondContact O-N 2.83Å; D529-T533 WeakPolarHBondContact O-CB 3.42Å; D529-T533 PolarHBondContact O-N 3.28Å; D529-T533 PolarHBondContact O-OG1 3.03Å
530	R	87.5	Confident	84.5	Confident	144 Å²	144	64.9 Å²	64.9	54%	0.543	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-37.3	174.8	-72.5	169.9	-173.4	-173.6	0.3	112	W508 K526 I527 I528 T533 S534	W508-R530 HydrophobicContact CH2-CB 4.28Å; W508-R530 HydrophobicContact CZ3-CB 3.91Å; K526-R530 WeakPolarHBondContact O-CB 3.4Å; K526-R530 VanDerWaalsContact O-CD 3.22Å; K526-R530 WeakPolarHBondContact O-CD 3.37Å; K526-R530 WeakPolarHBondContact O-CG 3.36Å; K526-R530 PolarHBondContact O-N 3.44Å; I527-R530 PolarHBondContact O-N 3.19Å; I528-R530 VanDerWaalsContact C-N 3.31Å; I528-R530 PolarHBondContact O-N 2.74Å; R530-T533 PolarHBondContact O-N 2.87Å; R530-S534 VanDerWaalsContact O-CB 3.29Å; R530-S534 WeakPolarHBondContact O-CB 3.41Å; R530-S534 PolarHBondContact O-N 2.67Å
531	A	86.4	Confident	84.1	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.8	-52.8	175.6	0	0	0	0	0	111.1	W508 I527 I528 T533 S534 L535 W547	W508-A531 HydrophobicContact CB-CB 3.41Å; W508-A531 VanDerWaalsContact CB-CB 3.41Å; W508-A531 HydrophobicContact CD2-CB 3.41Å; W508-A531 VanDerWaalsContact CD2-CB 3.41Å; W508-A531 HydrophobicContact CE3-CB 3.62Å; W508-A531 HydrophobicContact CG-CB 3.33Å; W508-A531 HydrophobicContact CZ3-CB 4.48Å; I527-A531 WeakPolarHBondContact O-CB 3.42Å; I527-A531 PolarHBondContact O-N 2.73Å; I528-A531 VanDerWaalsContact O-CB 3.31Å; I528-A531 WeakPolarHBondContact O-CB 3.33Å; I528-A531 PolarHBondContact O-N 3.34Å; I528-A531 VanDerWaalsContact O-N 3.14Å; A531-T533 VanDerWaalsContact C-N 3.29Å; A531-T533 PolarHBondContact O-N 3.35Å; A531-S534 PolarHBondContact O-N 3.05Å; A531-L535 WeakPolarHBondContact O-CB 3.42Å; A531-L535 VanDerWaalsContact O-CG 3.25Å; A531-L535 WeakPolarHBondContact O-CG 3.23Å; A531-L535 PolarHBondContact O-N 3.4Å; A531-W547 HydrophobicContact CB-CH2 4.47Å
532	I	85	Confident	84.1	Confident	13 Å²	13	66.8 Å²	66.8	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-40.4	179	-73.3	166.5	0	0	0	111	I528 R536 I542 W547 A569 I573	I528-I532 HydrophobicContact CG2-CD1 4.05Å; I528-I532 PolarHBondContact O-N 2.96Å; I532-R536 WeakPolarHBondContact O-CB 3.4Å; I532-R536 PolarHBondContact O-N 3.48Å; I532-I542 HydrophobicContact CG2-CD1 3.81Å; I532-W547 HydrophobicContact CG1-CH2 3.83Å; I532-W547 HydrophobicContact CG1-CZ2 4.27Å; I532-W547 HydrophobicContact CG1-CZ3 4.34Å; I532-A569 HydrophobicContact CD1-CB 3.4Å; I532-A569 VanDerWaalsContact CD1-CB 3.4Å; I532-I573 HydrophobicContact CG2-CD1 4.33Å
533	T	88.1	Confident	84.1	Confident	97 Å²	97	62.5 Å²	62.5	60%	0.595	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-46.1	175.5	-56.1	0	0	0	0	111.6	D529 R530 A531 A537	D529-T533 WeakPolarHBondContact O-CB 3.42Å; D529-T533 PolarHBondContact O-N 3.28Å; D529-T533 PolarHBondContact O-OG1 3.03Å; R530-T533 PolarHBondContact O-N 2.87Å; A531-T533 VanDerWaalsContact C-N 3.29Å; A531-T533 PolarHBondContact O-N 3.35Å; T533-A537 WeakPolarHBondContact O-CB 3.34Å; T533-A537 PolarHBondContact O-N 2.61Å
534	S	86.6	Confident	83.9	Confident	37 Å²	37	62.7 Å²	62.7	26%	0.259	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-42.7	-179.9	-170.4	0	0	0	0	112.4	R530 A531 A537 N538	R530-S534 VanDerWaalsContact O-CB 3.29Å; R530-S534 WeakPolarHBondContact O-CB 3.41Å; R530-S534 PolarHBondContact O-N 2.67Å; A531-S534 PolarHBondContact O-N 3.05Å; S534-A537 PolarHBondContact O-N 2.83Å; S534-N538 WeakPolarHBondContact O-CB 3.38Å; S534-N538 VanDerWaalsContact O-CG 3.24Å; S534-N538 PolarHBondContact O-N 3.08Å; S534-N538 PolarHBondContact O-ND2 3.01Å
535	L	85.3	Confident	83.9	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-69	-37.7	-179.7	-69.1	166.9	0	0	0	111.3	T503 R505 A531 N538 G539 V540 W547	T503-L535 WeakPolarHBondContact O-CD2 3.24Å; R505-L535 HydrophobicContact CB-CD1 3.76Å; A531-L535 WeakPolarHBondContact O-CB 3.42Å; A531-L535 VanDerWaalsContact O-CG 3.25Å; A531-L535 WeakPolarHBondContact O-CG 3.23Å; A531-L535 PolarHBondContact O-N 3.4Å; L535-N538 CarbonylContact O-C 3.56Å; L535-N538 PolarHBondContact O-N 3.46Å; L535-G539 PolarHBondContact O-N 3.49Å; L535-V540 HydrophobicContact CB-CB 4.49Å; L535-V540 PolarHBondContact O-N 3.27Å; L535-W547 HydrophobicContact CD1-CH2 3.94Å; L535-W547 HydrophobicContact CD1-CZ2 3.59Å
536	R	85	Confident	83.9	Confident	155 Å²	155	68.8 Å²	68.8	59%	0.585	36%	0.361	S	S	*	.	H	α-helix	trans	-64.4	-41	171.2	-171.7	-178.2	-61.7	173.7	2.6	112.1	I532 N538 G539	I532-R536 WeakPolarHBondContact O-CB 3.4Å; I532-R536 PolarHBondContact O-N 3.48Å; R536-N538 VanDerWaalsContact C-N 3.28Å; R536-N538 PolarHBondContact O-N 3.19Å; R536-G539 PolarHBondContact O-N 2.97Å
537	A	87.1	Confident	83.9	Confident	83 Å²	83	63.8 Å²	63.8	69%	0.686	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-33.6	175.1	0	0	0	0	0	112.5	T533 S534 G539	T533-A537 WeakPolarHBondContact O-CB 3.34Å; T533-A537 PolarHBondContact O-N 2.61Å; S534-A537 PolarHBondContact O-N 2.83Å; A537-G539 VanDerWaalsContact C-N 3.27Å; A537-G539 PolarHBondContact O-N 3.27Å
538	N	83.9	Confident	83.7	Confident	72 Å²	72	64.2 Å²	64.2	39%	0.385	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.9	175.9	-65.1	-25.3	0	0	0	113.8	P502 S534 L535 R536 V540	P502-N538 WeakPolarHBondContact CB-ND2 3.37Å; P502-N538 PolarHBondContact O-ND2 3.49Å; S534-N538 WeakPolarHBondContact O-CB 3.38Å; S534-N538 VanDerWaalsContact O-CG 3.24Å; S534-N538 PolarHBondContact O-N 3.08Å; S534-N538 PolarHBondContact O-ND2 3.01Å; L535-N538 CarbonylContact O-C 3.56Å; L535-N538 PolarHBondContact O-N 3.46Å; R536-N538 VanDerWaalsContact C-N 3.28Å; R536-N538 PolarHBondContact O-N 3.19Å; N538-V540 PolarHBondContact O-N 2.94Å
539	G	79.3	Confident	83.8	Confident	69 Å²	69	69.7 Å²	69.7	71%	0.711	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	14.9	174.3	0	0	0	0	0	115.9	L535 R536 A537	L535-G539 PolarHBondContact O-N 3.49Å; R536-G539 PolarHBondContact O-N 2.97Å; A537-G539 VanDerWaalsContact C-N 3.27Å; A537-G539 PolarHBondContact O-N 3.27Å
540	V	81.4	Confident	83.7	Confident	56 Å²	56	66.2 Å²	66.2	34%	0.339	35%	0.348	S	S	.	.			trans	-83.1	123.3	176.6	177.9	0	0	0	0	109.9	T503 L535 N538	T503-V540 HydrophobicContact CG2-CG2 4.33Å; L535-V540 HydrophobicContact CB-CB 4.49Å; L535-V540 PolarHBondContact O-N 3.27Å; N538-V540 PolarHBondContact O-N 2.94Å
541	E	74	Confident	83.6	Confident	149 Å²	149	59.4 Å²	59.4	70%	0.696	32%	0.322	S	S	*	.			trans	-69.9	138.9	174.1	68	-174.6	167.3	0	0	111.7	N543	E541-N543 PolarHBondContact O-N 2.95Å; E541-N543 VanDerWaalsContact O-N 3.13Å
542	I	76.8	Confident	83.6	Confident	32 Å²	32	60.1 Å²	60.1	16%	0.164	33%	0.326	C	S	.	.			trans	-88.5	86.4	-174	-59	172.3	0	0	0	108.1	I532 R544 W547 I573	I532-I542 HydrophobicContact CG2-CD1 3.81Å; I542-R544 PolarHBondContact O-N 3.42Å; I542-W547 HydrophobicContact CG2-CG 4.43Å; I542-I573 HydrophobicContact CD1-CD1 3.92Å; I542-I573 HydrophobicContact CG2-CD1 4.35Å
543	N	79.6	Confident	83.6	Confident	62 Å²	62	64.8 Å²	64.8	33%	0.332	35%	0.347	S	S	.	.			trans	-66.4	100.8	177	-75.9	-37.8	0	0	0	111.3	E541 E545 Q546 W547	E541-N543 PolarHBondContact O-N 2.95Å; E541-N543 VanDerWaalsContact O-N 3.13Å; N543-E545 VanDerWaalsContact C-N 3.29Å; N543-E545 PolarHBondContact O-N 3.24Å; N543-Q546 HydrophobicContact CB-CB 4.1Å; N543-Q546 HydrophobicContact CB-CG 3.9Å; N543-Q546 PolarHBondContact ND2-OE1 3.29Å; N543-Q546 PolarHBondContact O-N 3.13Å; N543-W547 PolarHBondContact O-N 3.5Å
544	R	79.8	Confident	83.3	Confident	44 Å²	44	60.3 Å²	60.3	17%	0.166	32%	0.32	C	S	.	.	H	α-helix	trans	-41.5	-53.4	179.9	-177.6	-172.6	-171.3	74.6	5.3	113.2	I542 Q546 W547 I548 V570 I571 I575 D587	I542-R544 PolarHBondContact O-N 3.42Å; R544-Q546 PolarHBondContact O-N 2.82Å; R544-W547 PolarHBondContact O-N 3.45Å; R544-I548 HydrophobicContact CG-CD1 3.84Å; R544-I548 WeakPolarHBondContact O-CG1 3.29Å; R544-I548 PolarHBondContact O-N 3.19Å; R544-V570 HydrophobicContact CG-CG1 4.47Å; R544-I571 PolarHBondContact NH1-O 2.92Å; R544-I575 VanDerWaalsContact CZ-CD1 3.44Å; R544-D587 IonicContact CZ-OD2 3.9Å; R544-D587 IonicContact NE-OD2 3.78Å; R544-D587 PolarHBondContact NE-OD2 3.38Å; R544-D587 IonicContact NH2-OD2 2.62Å; R544-D587 PolarHBondContact NH2-OD2 3.21Å
545	E	82.2	Confident	83.2	Confident	148 Å²	148	59.7 Å²	59.7	69%	0.692	31%	0.314	S	S	*	.	H	α-helix	trans	-60.1	-42	-177.1	-63.3	177.3	-176.3	0	0	112.8	N543 I548 Q549	N543-E545 VanDerWaalsContact C-N 3.29Å; N543-E545 PolarHBondContact O-N 3.24Å; E545-I548 PolarHBondContact O-N 2.83Å; E545-Q549 WeakPolarHBondContact O-CG 3.3Å; E545-Q549 PolarHBondContact O-N 3.13Å
546	Q	85.3	Confident	83.1	Confident	74 Å²	74	65.7 Å²	65.7	35%	0.346	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-40	-179	-64.9	179.4	-10.5	0	0	111.4	N543 R544 Q549 D550	N543-Q546 HydrophobicContact CB-CB 4.1Å; N543-Q546 HydrophobicContact CB-CG 3.9Å; N543-Q546 PolarHBondContact ND2-OE1 3.29Å; N543-Q546 PolarHBondContact O-N 3.13Å; R544-Q546 PolarHBondContact O-N 2.82Å; Q546-Q549 PolarHBondContact O-N 3.45Å; Q546-D550 WeakPolarHBondContact O-CB 3.37Å; Q546-D550 PolarHBondContact O-N 2.97Å
547	W	86.9	Confident	83	Confident	4 Å²	4	61 Å²	61	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-72.1	-29.8	176.5	-77.2	83.3	0	0	0	113	R505 I509 A531 I532 L535 I542 N543 R544 A551 V566 V570	R505-W547 HydrophobicContact CB-CH2 4.21Å; R505-W547 HydrophobicContact CB-CZ2 3.88Å; I509-W547 HydrophobicContact CD1-CE3 4.12Å; I509-W547 HydrophobicContact CD1-CZ3 3.75Å; A531-W547 HydrophobicContact CB-CH2 4.47Å; I532-W547 HydrophobicContact CG1-CH2 3.83Å; I532-W547 HydrophobicContact CG1-CZ2 4.27Å; I532-W547 HydrophobicContact CG1-CZ3 4.34Å; L535-W547 HydrophobicContact CD1-CH2 3.94Å; L535-W547 HydrophobicContact CD1-CZ2 3.59Å; I542-W547 HydrophobicContact CG2-CG 4.43Å; N543-W547 PolarHBondContact O-N 3.5Å; R544-W547 PolarHBondContact O-N 3.45Å; W547-A551 PolarHBondContact O-N 3Å; W547-A551 VanDerWaalsContact O-N 3.13Å; W547-V566 HydrophobicContact CE3-CG1 3.96Å; W547-V570 HydrophobicContact CB-CB 4.32Å; W547-V570 HydrophobicContact CB-CG1 3.77Å; W547-V570 HydrophobicContact CB-CG2 3.69Å; W547-V570 HydrophobicContact CD2-CG2 3.87Å; W547-V570 HydrophobicContact CE3-CG2 3.8Å; W547-V570 HydrophobicContact CG-CG1 4.49Å; W547-V570 HydrophobicContact CG-CG2 3.88Å
548	I	84.4	Confident	82.7	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.092	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-46.2	170.1	-68.6	171.3	0	0	0	109.7	R544 E545 D550 A551 E552 D587 C591	R544-I548 HydrophobicContact CG-CD1 3.84Å; R544-I548 WeakPolarHBondContact O-CG1 3.29Å; R544-I548 PolarHBondContact O-N 3.19Å; E545-I548 PolarHBondContact O-N 2.83Å; I548-D550 VanDerWaalsContact C-N 3.33Å; I548-D550 PolarHBondContact O-N 3.04Å; I548-A551 CarbonylContact O-C 3.58Å; I548-A551 WeakPolarHBondContact O-CA 3.32Å; I548-A551 WeakPolarHBondContact O-CB 3.38Å; I548-A551 PolarHBondContact O-N 3.46Å; I548-E552 HydrophobicContact CG2-CG 4.46Å; I548-E552 WeakPolarHBondContact O-CG 3.31Å; I548-E552 PolarHBondContact O-N 3.32Å; I548-D587 HydrophobicContact CD1-CB 4.28Å; I548-C591 WeakPolarHBondContact CG2-SG 3.48Å
549	Q	87	Confident	82.6	Confident	116 Å²	116	57.1 Å²	57.1	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-41.9	174.5	-73.2	171.4	5.1	0	0	112.5	E545 Q546 A551 E552 E553	E545-Q549 WeakPolarHBondContact O-CG 3.3Å; E545-Q549 PolarHBondContact O-N 3.13Å; Q546-Q549 PolarHBondContact O-N 3.45Å; Q549-A551 VanDerWaalsContact C-N 3.27Å; Q549-A551 PolarHBondContact O-N 3.01Å; Q549-E552 PolarHBondContact O-N 3.03Å; Q549-E552 VanDerWaalsContact O-N 3.15Å; Q549-E553 PolarHBondContact O-N 3.22Å
550	D	86.6	Confident	82.8	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-37.1	174.2	-71.9	-19.9	0	0	0	111.5	R505 H506 Q546 I548 C554	R505-D550 WeakPolarHBondContact CD-OD2 3.45Å; R505-D550 IonicContact CZ-OD2 3.29Å; R505-D550 IonicContact NE-OD2 2.68Å; R505-D550 IonicContact NH1-OD1 3.61Å; R505-D550 PolarHBondContact NH1-OD1 3.21Å; R505-D550 IonicContact NH1-OD2 3.64Å; R505-D550 PolarHBondContact NH1-OD2 3.46Å; H506-D550 IonicContact CE1-OD1 2.75Å; H506-D550 PolarHBondContact CE1-OD1 3.15Å; H506-D550 IonicContact CE1-OD2 3.65Å; H506-D550 IonicContact ND1-OD1 2.68Å; H506-D550 PolarHBondContact ND1-OD1 3.25Å; Q546-D550 WeakPolarHBondContact O-CB 3.37Å; Q546-D550 PolarHBondContact O-N 2.97Å; I548-D550 VanDerWaalsContact C-N 3.33Å; I548-D550 PolarHBondContact O-N 3.04Å; D550-C554 WeakPolarHBondContact O-CB 3.23Å; D550-C554 PolarHBondContact O-N 3.19Å; D550-C554 VanDerWaalsContact O-N 3.15Å
551	A	85.5	Confident	82.8	Confident	1 Å²	1	55 Å²	55	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-40.4	172.7	0	0	0	0	0	112.1	W547 I548 Q549 E553 C554 D555 C563 V566 I567 C599	W547-A551 PolarHBondContact O-N 3Å; W547-A551 VanDerWaalsContact O-N 3.13Å; I548-A551 CarbonylContact O-C 3.58Å; I548-A551 WeakPolarHBondContact O-CA 3.32Å; I548-A551 WeakPolarHBondContact O-CB 3.38Å; I548-A551 PolarHBondContact O-N 3.46Å; Q549-A551 VanDerWaalsContact C-N 3.27Å; Q549-A551 PolarHBondContact O-N 3.01Å; A551-E553 PolarHBondContact O-N 2.75Å; A551-C554 CarbonylContact O-C 3.59Å; A551-C554 WeakPolarHBondContact O-CA 3.44Å; A551-C554 WeakPolarHBondContact O-CB 3.48Å; A551-C554 PolarHBondContact O-N 3.32Å; A551-D555 PolarHBondContact O-N 3.35Å; A551-C563 HydrophobicContact CB-CB 4.44Å; A551-C563 PolarHBondContact O-SG 3.45Å; A551-V566 HydrophobicContact CB-CG1 4.11Å; A551-I567 HydrophobicContact CB-CD1 3.79Å; A551-I567 HydrophobicContact CB-CG1 3.78Å; A551-C599 PolarHBondContact O-SG 2.99Å; A551-C599 VanDerWaalsContact O-SG 3.4Å
552	E	85.4	Confident	83.2	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-38.7	176.1	-64.4	-171.5	176.2	0	0	113	I548 Q549 C554 K556 C591 H594 A596	I548-E552 HydrophobicContact CG2-CG 4.46Å; I548-E552 WeakPolarHBondContact O-CG 3.31Å; I548-E552 PolarHBondContact O-N 3.32Å; Q549-E552 PolarHBondContact O-N 3.03Å; Q549-E552 VanDerWaalsContact O-N 3.15Å; E552-C554 VanDerWaalsContact C-N 3.26Å; E552-K556 WeakPolarHBondContact O-CB 3.4Å; E552-K556 WeakPolarHBondContact O-CD 3.44Å; E552-K556 VanDerWaalsContact O-CG 3.29Å; E552-K556 WeakPolarHBondContact O-CG 3.21Å; E552-K556 PolarHBondContact O-N 2.88Å; E552-K556 VanDerWaalsContact O-N 3.11Å; E552-K556 IonicContact OE2-NZ 3.73Å; E552-C591 WeakPolarHBondContact OE1-CA 3.31Å; E552-C591 PolarHBondContact OE1-SG 3Å; E552-H594 IonicContact OE1-CG 2.64Å; E552-H594 IonicContact OE1-ND1 3.6Å; E552-H594 WeakPolarHBondContact OE2-CB 3.43Å; E552-H594 IonicContact OE2-CG 2.73Å; E552-A596 HydrophobicContact CB-CB 3.92Å; E552-A596 HydrophobicContact CG-CB 3.65Å
553	E	84.9	Confident	83.5	Confident	112 Å²	112	46.3 Å²	46.3	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-34.7	171.5	-164.5	-156.1	127.2	0	0	111.1	Q549 A551 A557	Q549-E553 PolarHBondContact O-N 3.22Å; A551-E553 PolarHBondContact O-N 2.75Å; E553-A557 WeakPolarHBondContact O-CB 3.28Å; E553-A557 PolarHBondContact O-N 3.39Å
554	C	83.5	Confident	83.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-71.4	-36.2	-180	-164.4	0	0	0	0	112.6	K513 D550 A551 E552 A557 G558 S559 T562 C563	K513-C554 HydrophobicContact CD-CB 4.4Å; K513-C554 WeakPolarHBondContact CD-SG 3.34Å; K513-C554 WeakPolarHBondContact CG-SG 3.42Å; D550-C554 WeakPolarHBondContact O-CB 3.23Å; D550-C554 PolarHBondContact O-N 3.19Å; D550-C554 VanDerWaalsContact O-N 3.15Å; A551-C554 CarbonylContact O-C 3.59Å; A551-C554 WeakPolarHBondContact O-CA 3.44Å; A551-C554 WeakPolarHBondContact O-CB 3.48Å; A551-C554 PolarHBondContact O-N 3.32Å; E552-C554 VanDerWaalsContact C-N 3.26Å; C554-A557 CarbonylContact O-C 3.54Å; C554-A557 WeakPolarHBondContact O-CB 3.35Å; C554-A557 PolarHBondContact O-N 3.41Å; C554-G558 PolarHBondContact O-N 2.89Å; C554-S559 PolarHBondContact O-N 3.31Å; C554-S559 VanDerWaalsContact O-N 3.08Å; C554-S559 PolarHBondContact SG-O 3.19Å; C554-S559 VanDerWaalsContact SG-O 3.39Å; C554-T562 PolarHBondContact SG-OG1 2.77Å; C554-C563 WeakPolarHBondContact CB-SG 3.39Å
555	D	82.7	Confident	83.7	Confident	25 Å²	25	44.4 Å²	44.4	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-67.8	-45	173.4	-162.1	2.8	0	0	0	110.3	A551 A557 G558 C563 A596 L597 E598 C599	A551-D555 PolarHBondContact O-N 3.35Å; D555-A557 PolarHBondContact O-N 3.41Å; D555-A557 VanDerWaalsContact O-N 3.17Å; D555-G558 PolarHBondContact O-N 2.71Å; D555-C563 PolarHBondContact N-SG 3.27Å; D555-A596 HydrophobicContact CB-CB 4.25Å; D555-A596 VanDerWaalsContact OD2-CA 3.23Å; D555-A596 WeakPolarHBondContact OD2-CA 3.28Å; D555-L597 PolarHBondContact OD2-N 3.47Å; D555-L597 VanDerWaalsContact OD2-N 3.11Å; D555-E598 WeakPolarHBondContact OD1-CB 3.27Å; D555-E598 WeakPolarHBondContact OD1-CG 3.16Å; D555-E598 PolarHBondContact OD2-N 3.3Å; D555-C599 PolarHBondContact OD2-N 2.87Å; D555-C599 VanDerWaalsContact OD2-N 3.12Å
556	K	83.8	Confident	83.9	Confident	129 Å²	129	37.5 Å²	37.5	56%	0.561	21%	0.211	S	C	*	.	H	α-helix	trans	-60.2	-24.3	171.8	-72.7	163.2	-176.3	155.3	0	113.3	E552 H594	E552-K556 WeakPolarHBondContact O-CB 3.4Å; E552-K556 WeakPolarHBondContact O-CD 3.44Å; E552-K556 VanDerWaalsContact O-CG 3.29Å; E552-K556 WeakPolarHBondContact O-CG 3.21Å; E552-K556 PolarHBondContact O-N 2.88Å; E552-K556 VanDerWaalsContact O-N 3.11Å; E552-K556 IonicContact OE2-NZ 3.73Å; K556-H594 VanDerWaalsContact CE-O 3.3Å; K556-H594 WeakPolarHBondContact CE-O 3.4Å; K556-H594 PolarHBondContact NZ-O 3.46Å
557	A	82.3	Confident	83.8	Confident	58 Å²	58	34.2 Å²	34.2	48%	0.479	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.1	174	0	0	0	0	0	114	K513 E553 C554 D555	K513-A557 VanDerWaalsContact NZ-CB 3.3Å; E553-A557 WeakPolarHBondContact O-CB 3.28Å; E553-A557 PolarHBondContact O-N 3.39Å; C554-A557 CarbonylContact O-C 3.54Å; C554-A557 WeakPolarHBondContact O-CB 3.35Å; C554-A557 PolarHBondContact O-N 3.41Å; D555-A557 PolarHBondContact O-N 3.41Å; D555-A557 VanDerWaalsContact O-N 3.17Å
558	G	80.8	Confident	83.6	Confident	56 Å²	56	38.8 Å²	38.8	58%	0.577	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	10.4	178.2	0	0	0	0	0	115.5	C554 D555	C554-G558 PolarHBondContact O-N 2.89Å; D555-G558 PolarHBondContact O-N 2.71Å
559	S	82.8	Confident	83.3	Confident	17 Å²	17	39.1 Å²	39.1	12%	0.119	22%	0.218	C	C	.	.			trans	-97.5	87.1	177.5	-52.2	0	0	0	0	109	E516 C554 T562 C563	E516-S559 VanDerWaalsContact OE2-C 3.23Å; E516-S559 WeakPolarHBondContact OE2-CA 3.2Å; E516-S559 WeakPolarHBondContact OE2-CB 3.16Å; C554-S559 PolarHBondContact O-N 3.31Å; C554-S559 VanDerWaalsContact O-N 3.08Å; C554-S559 PolarHBondContact SG-O 3.19Å; C554-S559 VanDerWaalsContact SG-O 3.39Å; S559-T562 VanDerWaalsContact CB-OG1 3.31Å; S559-T562 WeakPolarHBondContact CB-OG1 3.45Å; S559-T562 PolarHBondContact O-OG1 3.2Å; S559-C563 PolarHBondContact O-SG 3.02Å
560	V	82.6	Confident	83	Confident	52 Å²	52	33.7 Å²	33.7	32%	0.315	19%	0.193	S	C	.	.	H	α-helix	trans	-86.3	-33.3	-166.5	-58.4	0	0	0	0	113.8	E516 C563 Q564 E598	E516-V560 PolarHBondContact OE1-N 2.93Å; V560-C563 WeakPolarHBondContact O-CB 3.47Å; V560-C563 PolarHBondContact O-N 2.94Å; V560-Q564 WeakPolarHBondContact O-CG 3.4Å; V560-Q564 PolarHBondContact O-N 3.39Å; V560-E598 HydrophobicContact CB-CB 4.32Å; V560-E598 HydrophobicContact CB-CG 4.36Å; V560-E598 HydrophobicContact CG1-CB 4.2Å; V560-E598 HydrophobicContact CG1-CG 3.82Å
561	A	82.5	Confident	82.4	Confident	27 Å²	27	33.3 Å²	33.3	22%	0.223	19%	0.191	C	C	.	.	H	α-helix	trans	-71.8	-36.5	-179	0	0	0	0	0	111.4	E516 Q564 A565	E516-A561 HydrophobicContact CG-CB 4.35Å; E516-A561 WeakPolarHBondContact OE1-CB 3.36Å; E516-A561 PolarHBondContact OE1-N 3.12Å; E516-A561 PolarHBondContact OE2-N 2.85Å; A561-Q564 PolarHBondContact O-N 2.94Å; A561-A565 PolarHBondContact O-N 3.07Å
562	T	81.9	Confident	81.7	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-45	171.1	46.3	0	0	0	0	112	A512 E516 V524 C554 S559 Q564 A565 V566	A512-T562 HydrophobicContact CB-CG2 3.68Å; A512-T562 WeakPolarHBondContact O-CG2 3.17Å; E516-T562 HydrophobicContact CB-CG2 3.88Å; E516-T562 VanDerWaalsContact OE2-CB 3.25Å; E516-T562 WeakPolarHBondContact OE2-CB 3.49Å; E516-T562 WeakPolarHBondContact OE2-CG2 3.36Å; E516-T562 PolarHBondContact OE2-N 3.43Å; E516-T562 PolarHBondContact OE2-OG1 2.94Å; V524-T562 HydrophobicContact CB-CG2 4.35Å; V524-T562 HydrophobicContact CG1-CG2 3.48Å; V524-T562 VanDerWaalsContact CG1-CG2 3.48Å; V524-T562 HydrophobicContact CG2-CG2 3.92Å; C554-T562 PolarHBondContact SG-OG1 2.77Å; S559-T562 VanDerWaalsContact CB-OG1 3.31Å; S559-T562 WeakPolarHBondContact CB-OG1 3.45Å; S559-T562 PolarHBondContact O-OG1 3.2Å; T562-Q564 VanDerWaalsContact C-N 3.34Å; T562-Q564 PolarHBondContact O-N 3.09Å; T562-A565 PolarHBondContact O-N 3.27Å; T562-V566 WeakPolarHBondContact O-CB 3.48Å; T562-V566 VanDerWaalsContact O-CG2 3.3Å; T562-V566 WeakPolarHBondContact O-CG2 3.35Å; T562-V566 PolarHBondContact O-N 2.76Å
563	C	82.2	Confident	81.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.1	-50	171.4	-61.3	0	0	0	0	111.7	A551 C554 D555 S559 V560 A565 V566 I567	A551-C563 HydrophobicContact CB-CB 4.44Å; A551-C563 PolarHBondContact O-SG 3.45Å; C554-C563 WeakPolarHBondContact CB-SG 3.39Å; D555-C563 PolarHBondContact N-SG 3.27Å; S559-C563 PolarHBondContact O-SG 3.02Å; V560-C563 WeakPolarHBondContact O-CB 3.47Å; V560-C563 PolarHBondContact O-N 2.94Å; C563-A565 VanDerWaalsContact C-N 3.32Å; C563-A565 PolarHBondContact O-N 3.17Å; C563-V566 PolarHBondContact O-N 2.87Å; C563-I567 VanDerWaalsContact O-CB 3.23Å; C563-I567 WeakPolarHBondContact O-CB 3.26Å; C563-I567 VanDerWaalsContact O-CG1 3.23Å; C563-I567 WeakPolarHBondContact O-CG1 3.42Å; C563-I567 PolarHBondContact O-N 3.17Å
564	Q	81.9	Confident	80.2	Confident	59 Å²	59	35.1 Å²	35.1	28%	0.276	23%	0.232	S	C	.	.	H	α-helix	trans	-58.7	-43.4	-179.4	-72.4	176.4	29.2	0	0	112.2	V560 A561 T562 R568 A602	V560-Q564 WeakPolarHBondContact O-CG 3.4Å; V560-Q564 PolarHBondContact O-N 3.39Å; A561-Q564 PolarHBondContact O-N 2.94Å; T562-Q564 VanDerWaalsContact C-N 3.34Å; T562-Q564 PolarHBondContact O-N 3.09Å; Q564-R568 VanDerWaalsContact O-CG 3.25Å; Q564-R568 WeakPolarHBondContact O-CG 3.43Å; Q564-R568 PolarHBondContact O-N 3.04Å; Q564-A602 HydrophobicContact CB-CB 4.18Å; Q564-A602 HydrophobicContact CG-CB 3.79Å
565	A	83.1	Confident	79.6	Confident	7 Å²	7	36.2 Å²	36.2	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-43.5	178.8	0	0	0	0	0	112.6	V524 E525 I528 A561 T562 C563 I567 R568 A569	V524-A565 HydrophobicContact CG1-CB 3.96Å; E525-A565 HydrophobicContact CB-CB 4.37Å; I528-A565 HydrophobicContact CD1-CB 3.47Å; I528-A565 VanDerWaalsContact CD1-CB 3.47Å; A561-A565 PolarHBondContact O-N 3.07Å; T562-A565 PolarHBondContact O-N 3.27Å; C563-A565 VanDerWaalsContact C-N 3.32Å; C563-A565 PolarHBondContact O-N 3.17Å; A565-I567 VanDerWaalsContact C-N 3.32Å; A565-I567 PolarHBondContact O-N 3.38Å; A565-R568 PolarHBondContact O-N 2.96Å; A565-A569 PolarHBondContact O-N 3.37Å; A565-A569 VanDerWaalsContact O-N 3.17Å
566	V	85.1	Confident	78.8	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-50.3	174.1	166.9	0	0	0	0	110.2	I509 I528 W547 A551 T562 C563 A569 V570	I509-V566 HydrophobicContact CD1-CG2 3.5Å; I509-V566 VanDerWaalsContact CD1-CG2 3.5Å; I528-V566 HydrophobicContact CD1-CG2 3.71Å; I528-V566 HydrophobicContact CG1-CG2 4.16Å; W547-V566 HydrophobicContact CE3-CG1 3.96Å; A551-V566 HydrophobicContact CB-CG1 4.11Å; T562-V566 WeakPolarHBondContact O-CB 3.48Å; T562-V566 VanDerWaalsContact O-CG2 3.3Å; T562-V566 WeakPolarHBondContact O-CG2 3.35Å; T562-V566 PolarHBondContact O-N 2.76Å; C563-V566 PolarHBondContact O-N 2.87Å; V566-A569 PolarHBondContact O-N 3.15Å; V566-V570 HydrophobicContact CG1-CG2 4.24Å; V566-V570 WeakPolarHBondContact O-CB 3.36Å; V566-V570 WeakPolarHBondContact O-CG2 3.44Å; V566-V570 PolarHBondContact O-N 2.93Å
567	I	83.7	Confident	77.9	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-44.9	-175.2	-75.3	172.7	0	0	0	111.3	A551 C563 A565 A569 V570 I571 C599 A602 I603	A551-I567 HydrophobicContact CB-CD1 3.79Å; A551-I567 HydrophobicContact CB-CG1 3.78Å; C563-I567 VanDerWaalsContact O-CB 3.23Å; C563-I567 WeakPolarHBondContact O-CB 3.26Å; C563-I567 VanDerWaalsContact O-CG1 3.23Å; C563-I567 WeakPolarHBondContact O-CG1 3.42Å; C563-I567 PolarHBondContact O-N 3.17Å; A565-I567 VanDerWaalsContact C-N 3.32Å; A565-I567 PolarHBondContact O-N 3.38Å; I567-A569 VanDerWaalsContact C-N 3.3Å; I567-A569 PolarHBondContact O-N 3.4Å; I567-V570 PolarHBondContact O-N 3.15Å; I567-I571 HydrophobicContact CG2-CD1 3.29Å; I567-I571 HydrophobicContact CG2-CG1 3.86Å; I567-I571 VanDerWaalsContact O-CB 3.29Å; I567-I571 WeakPolarHBondContact O-CB 3.41Å; I567-I571 WeakPolarHBondContact O-CD1 3.49Å; I567-I571 WeakPolarHBondContact O-CG1 3.49Å; I567-I571 PolarHBondContact O-N 2.86Å; I567-C599 VanDerWaalsContact CD1-CA 3.46Å; I567-C599 HydrophobicContact CD1-CB 3.41Å; I567-C599 VanDerWaalsContact CD1-CB 3.41Å; I567-C599 VanDerWaalsContact CD1-SG 3.57Å; I567-A602 HydrophobicContact CB-CB 4.16Å; I567-A602 HydrophobicContact CD1-CB 4.24Å; I567-A602 HydrophobicContact CG2-CB 3.82Å; I567-I603 HydrophobicContact CG2-CB 4.47Å; I567-I603 HydrophobicContact CG2-CG1 3.58Å
568	R	82	Confident	77.2	Confident	101 Å²	101	48.6 Å²	48.6	38%	0.381	29%	0.287	S	S	.	.	H	α-helix	trans	-55.6	-45.5	174.3	-74.7	172.8	-162.6	167.3	9.1	112	E525 Q564 A565	E525-R568 IonicContact OE1-NH1 3.68Å; E525-R568 PolarHBondContact OE1-NH1 3.41Å; Q564-R568 VanDerWaalsContact O-CG 3.25Å; Q564-R568 WeakPolarHBondContact O-CG 3.43Å; Q564-R568 PolarHBondContact O-N 3.04Å; A565-R568 PolarHBondContact O-N 2.96Å
569	A	79.3	Confident	77.1	Confident	24 Å²	24	50.7 Å²	50.7	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-72.6	-30.8	-176.9	0	0	0	0	0	113.3	I528 I532 A565 V566 I567 I573	I528-A569 HydrophobicContact CG2-CB 4.02Å; I532-A569 HydrophobicContact CD1-CB 3.4Å; I532-A569 VanDerWaalsContact CD1-CB 3.4Å; A565-A569 PolarHBondContact O-N 3.37Å; A565-A569 VanDerWaalsContact O-N 3.17Å; V566-A569 PolarHBondContact O-N 3.15Å; I567-A569 VanDerWaalsContact C-N 3.3Å; I567-A569 PolarHBondContact O-N 3.4Å; A569-I573 VanDerWaalsContact O-CD1 3.26Å; A569-I573 WeakPolarHBondContact O-CD1 3.35Å; A569-I573 WeakPolarHBondContact O-CG1 3.36Å
570	V	79.9	Confident	76.8	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-90.1	-35.8	-175.3	171.3	0	0	0	0	112.9	R544 W547 V566 I567 G572 I573	R544-V570 HydrophobicContact CG-CG1 4.47Å; W547-V570 HydrophobicContact CB-CB 4.32Å; W547-V570 HydrophobicContact CB-CG1 3.77Å; W547-V570 HydrophobicContact CB-CG2 3.69Å; W547-V570 HydrophobicContact CD2-CG2 3.87Å; W547-V570 HydrophobicContact CE3-CG2 3.8Å; W547-V570 HydrophobicContact CG-CG1 4.49Å; W547-V570 HydrophobicContact CG-CG2 3.88Å; V566-V570 HydrophobicContact CG1-CG2 4.24Å; V566-V570 WeakPolarHBondContact O-CB 3.36Å; V566-V570 WeakPolarHBondContact O-CG2 3.44Å; V566-V570 PolarHBondContact O-N 2.93Å; I567-V570 PolarHBondContact O-N 3.15Å; V570-G572 PolarHBondContact O-N 2.86Å; V570-G572 VanDerWaalsContact O-N 3.15Å; V570-I573 PolarHBondContact O-N 2.88Å; V570-I573 VanDerWaalsContact O-N 3.1Å
571	I	74.6	Confident	76.6	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-53	-40.7	-176.5	-82.3	171.8	0	0	0	112.7	R544 I567 W584 I603 H606	R544-I571 PolarHBondContact NH1-O 2.92Å; I567-I571 HydrophobicContact CG2-CD1 3.29Å; I567-I571 HydrophobicContact CG2-CG1 3.86Å; I567-I571 VanDerWaalsContact O-CB 3.29Å; I567-I571 WeakPolarHBondContact O-CB 3.41Å; I567-I571 WeakPolarHBondContact O-CD1 3.49Å; I567-I571 WeakPolarHBondContact O-CG1 3.49Å; I567-I571 PolarHBondContact O-N 2.86Å; I571-W584 HydrophobicContact CG2-CD2 3.59Å; I571-W584 HydrophobicContact CG2-CE3 4.27Å; I571-W584 HydrophobicContact CG2-CG 3.9Å; I571-W584 HydrophobicContact CG2-CH2 4.23Å; I571-W584 HydrophobicContact CG2-CZ2 3.55Å; I571-W584 VanDerWaalsContact CG2-NE1 3.31Å; I571-W584 PolarHBondContact O-NE1 2.99Å; I571-W584 VanDerWaalsContact O-NE1 3.09Å; I571-I603 HydrophobicContact CD1-CB 4Å; I571-I603 HydrophobicContact CD1-CG1 3.87Å; I571-I603 HydrophobicContact CD1-CG2 3.93Å; I571-H606 HydrophobicContact CD1-CB 4.22Å; I571-H606 WeakPolarHBondContact CG2-ND1 3.47Å
572	G	71.1	Confident	76.6	Confident	36 Å²	36	57 Å²	57	37%	0.371	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.3	-175.5	0	0	0	0	0	115	V570	V570-G572 PolarHBondContact O-N 2.86Å; V570-G572 VanDerWaalsContact O-N 3.15Å
573	I	75.8	Confident	76.7	Confident	49 Å²	49	58.8 Å²	58.8	25%	0.251	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	130.1	-174.5	-59.4	176.4	0	0	0	109.7	I532 I542 A569 V570	I532-I573 HydrophobicContact CG2-CD1 4.33Å; I542-I573 HydrophobicContact CD1-CD1 3.92Å; I542-I573 HydrophobicContact CG2-CD1 4.35Å; A569-I573 VanDerWaalsContact O-CD1 3.26Å; A569-I573 WeakPolarHBondContact O-CD1 3.35Å; A569-I573 WeakPolarHBondContact O-CG1 3.36Å; V570-I573 PolarHBondContact O-N 2.88Å; V570-I573 VanDerWaalsContact O-N 3.1Å
574	G	63.6	Low	76.9	Confident	81 Å²	81	59 Å²	59	84%	0.835	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	10.9	168.7	0	0	0	0	0	117.1
575	I	69.2	Low	77	Confident	26 Å²	26	56.6 Å²	56.6	13%	0.133	30%	0.301	C	S	.	.			trans	-124.3	132.4	179.3	-46.1	159.7	0	0	0	112.5	R544 D579 R580 T583 W584	R544-I575 VanDerWaalsContact CZ-CD1 3.44Å; I575-D579 HydrophobicContact CG2-CB 4.22Å; I575-R580 HydrophobicContact CB-CG 3.82Å; I575-R580 HydrophobicContact CG2-CB 4.39Å; I575-R580 HydrophobicContact CG2-CG 3.82Å; I575-R580 PolarHBondContact O-NE 3.44Å; I575-R580 PolarHBondContact O-NH2 3.02Å; I575-T583 HydrophobicContact CD1-CG2 4.5Å; I575-T583 VanDerWaalsContact CD1-OG1 3.3Å; I575-T583 WeakPolarHBondContact CD1-OG1 3.42Å; I575-T583 HydrophobicContact CG2-CG2 4.33Å; I575-W584 VanDerWaalsContact CD1-NE1 3.33Å
576	E	67.6	Low	77.1	Confident	156 Å²	156	61 Å²	61	73%	0.729	32%	0.321	S	S	*	.			trans	-62.3	147.6	171.5	-61.1	-172.6	176.9	0	0	112.1	E578 D579 R580	E576-E578 PolarHBondContact O-N 3.45Å; E576-E578 VanDerWaalsContact O-N 3.1Å; E576-D579 PolarHBondContact O-N 3.48Å; E576-R580 WeakPolarHBondContact O-CG 3.31Å; E576-R580 PolarHBondContact O-N 3.29Å
577	E	63.2	Low	77	Confident	137 Å²	137	62.6 Å²	62.6	64%	0.64	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.4	-163.4	-44.1	-135.3	117.6	0	0	113.9	R580	E577-R580 IonicContact OE1-CZ 3.37Å; E577-R580 IonicContact OE1-NH1 3.59Å; E577-R580 PolarHBondContact OE1-NH1 3.18Å; E577-R580 IonicContact OE1-NH2 3.96Å; E577-R580 PolarHBondContact OE1-NH2 3.05Å
578	E	68.3	Low	77.1	Confident	179 Å²	179	62.4 Å²	62.4	84%	0.836	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-45.1	179.8	-55.5	-165	163.9	0	0	111.9	E576	E576-E578 PolarHBondContact O-N 3.45Å; E576-E578 VanDerWaalsContact O-N 3.1Å
579	D	77.8	Confident	77.2	Confident	100 Å²	100	60.7 Å²	60.7	54%	0.535	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.6	-175	-81.3	-17.6	0	0	0	114.4	I575 E576 K581 H582 T583	I575-D579 HydrophobicContact CG2-CB 4.22Å; E576-D579 PolarHBondContact O-N 3.48Å; D579-K581 CarbonylContact O-C 3.39Å; D579-K581 PolarHBondContact O-N 2.97Å; D579-H582 PolarHBondContact O-N 2.98Å; D579-T583 PolarHBondContact O-N 3.49Å; D579-T583 PolarHBondContact O-OG1 2.74Å
580	R	77.8	Confident	77.5	Confident	56 Å²	56	61.9 Å²	61.9	21%	0.211	33%	0.333	C	S	.	.	H	α-helix	trans	-39.8	-43.1	176.5	-84.2	174.5	-163.2	161.3	8.8	113.2	I575 E576 E577 T583 W584 F611	I575-R580 HydrophobicContact CB-CG 3.82Å; I575-R580 HydrophobicContact CG2-CB 4.39Å; I575-R580 HydrophobicContact CG2-CG 3.82Å; I575-R580 PolarHBondContact O-NE 3.44Å; I575-R580 PolarHBondContact O-NH2 3.02Å; E576-R580 WeakPolarHBondContact O-CG 3.31Å; E576-R580 PolarHBondContact O-N 3.29Å; E577-R580 IonicContact OE1-CZ 3.37Å; E577-R580 IonicContact OE1-NH1 3.59Å; E577-R580 PolarHBondContact OE1-NH1 3.18Å; E577-R580 IonicContact OE1-NH2 3.96Å; E577-R580 PolarHBondContact OE1-NH2 3.05Å; R580-T583 WeakPolarHBondContact CA-OG1 3.33Å; R580-T583 PolarHBondContact O-OG1 3.5Å; R580-W584 HydrophobicContact CB-CD2 4.33Å; R580-W584 HydrophobicContact CB-CH2 4.17Å; R580-W584 HydrophobicContact CB-CZ2 3.73Å; R580-W584 HydrophobicContact CG-CH2 4.32Å; R580-W584 HydrophobicContact CG-CZ2 3.62Å; R580-W584 WeakPolarHBondContact O-CB 3.41Å; R580-W584 PolarHBondContact O-N 3.25Å; R580-W584 VanDerWaalsContact O-N 3.08Å; R580-W584 PolarHBondContact O-NE1 3.25Å; R580-F611 HydrophobicContact CB-CE2 4.37Å; R580-F611 HydrophobicContact CB-CZ 4.35Å
581	K	78.5	Confident	77.6	Confident	65 Å²	65	61.7 Å²	61.7	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-50.8	178.8	-172	-148.9	174.7	-166.6	0	111.6	D579 M585 F611 K614 S616 V617	D579-K581 CarbonylContact O-C 3.39Å; D579-K581 PolarHBondContact O-N 2.97Å; K581-M585 VanDerWaalsContact O-CG 3.27Å; K581-M585 WeakPolarHBondContact O-CG 3.31Å; K581-M585 PolarHBondContact O-N 3.34Å; K581-F611 HydrophobicContact CB-CE2 4.22Å; K581-K614 HydrophobicContact CD-CD 4.06Å; K581-S616 WeakPolarHBondContact CE-OG 3.37Å; K581-S616 PolarHBondContact NZ-OG 2.86Å; K581-V617 HydrophobicContact CG-CG2 4.3Å
582	H	82.6	Confident	78.1	Confident	108 Å²	108	63.1 Å²	63.1	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-52.6	-174.4	-163.6	-91.7	0	0	0	110.5	D579 W584 M585 E586	D579-H582 PolarHBondContact O-N 2.98Å; H582-W584 VanDerWaalsContact C-N 3.31Å; H582-W584 PolarHBondContact O-N 3.28Å; H582-M585 PolarHBondContact O-N 3.08Å; H582-E586 IonicContact CE1-OE1 3.42Å; H582-E586 PolarHBondContact CE1-OE1 2.82Å; H582-E586 IonicContact CE1-OE2 3.85Å; H582-E586 PolarHBondContact CE1-OE2 3.02Å; H582-E586 VanDerWaalsContact CE1-OE2 3.27Å; H582-E586 IonicContact CG-OE2 2.79Å; H582-E586 IonicContact ND1-OE1 3.88Å; H582-E586 IonicContact ND1-OE2 3.92Å; H582-E586 PolarHBondContact ND1-OE2 3.37Å; H582-E586 PolarHBondContact O-N 2.84Å
583	T	84.5	Confident	78.7	Confident	36 Å²	36	65.5 Å²	65.5	22%	0.221	36%	0.357	C	S	.	.	H	α-helix	trans	-55.7	-43.1	179.6	51.8	0	0	0	0	112.1	I575 D579 R580 M585 E586 D587	I575-T583 HydrophobicContact CD1-CG2 4.5Å; I575-T583 VanDerWaalsContact CD1-OG1 3.3Å; I575-T583 WeakPolarHBondContact CD1-OG1 3.42Å; I575-T583 HydrophobicContact CG2-CG2 4.33Å; D579-T583 PolarHBondContact O-N 3.49Å; D579-T583 PolarHBondContact O-OG1 2.74Å; R580-T583 WeakPolarHBondContact CA-OG1 3.33Å; R580-T583 PolarHBondContact O-OG1 3.5Å; T583-M585 VanDerWaalsContact C-N 3.34Å; T583-M585 PolarHBondContact O-N 3.35Å; T583-E586 PolarHBondContact O-N 2.99Å; T583-D587 WeakPolarHBondContact O-CB 3.44Å; T583-D587 PolarHBondContact O-N 3.11Å; T583-D587 VanDerWaalsContact O-OD2 3.13Å
584	W	85.6	Confident	79	Confident	6 Å²	6	68.1 Å²	68.1	2%	0.023	37%	0.368	C	S	.	.	H	α-helix	trans	-71.4	-28.3	-179.4	-57.6	-7.7	0	0	0	112.9	I571 I575 R580 H582 A588 I603 H606 A607 V610 F611	I571-W584 HydrophobicContact CG2-CD2 3.59Å; I571-W584 HydrophobicContact CG2-CE3 4.27Å; I571-W584 HydrophobicContact CG2-CG 3.9Å; I571-W584 HydrophobicContact CG2-CH2 4.23Å; I571-W584 HydrophobicContact CG2-CZ2 3.55Å; I571-W584 VanDerWaalsContact CG2-NE1 3.31Å; I571-W584 PolarHBondContact O-NE1 2.99Å; I571-W584 VanDerWaalsContact O-NE1 3.09Å; I575-W584 VanDerWaalsContact CD1-NE1 3.33Å; R580-W584 HydrophobicContact CB-CD2 4.33Å; R580-W584 HydrophobicContact CB-CH2 4.17Å; R580-W584 HydrophobicContact CB-CZ2 3.73Å; R580-W584 HydrophobicContact CG-CH2 4.32Å; R580-W584 HydrophobicContact CG-CZ2 3.62Å; R580-W584 WeakPolarHBondContact O-CB 3.41Å; R580-W584 PolarHBondContact O-N 3.25Å; R580-W584 VanDerWaalsContact O-N 3.08Å; R580-W584 PolarHBondContact O-NE1 3.25Å; H582-W584 VanDerWaalsContact C-N 3.31Å; H582-W584 PolarHBondContact O-N 3.28Å; W584-A588 VanDerWaalsContact O-CB 3.26Å; W584-A588 WeakPolarHBondContact O-CB 3.34Å; W584-A588 PolarHBondContact O-N 3.22Å; W584-A588 VanDerWaalsContact O-N 3.12Å; W584-I603 HydrophobicContact CB-CG2 4.34Å; W584-I603 WeakPolarHBondContact O-CG2 3.46Å; W584-H606 AromaticContact CH2-CE1 4Å; W584-A607 HydrophobicContact CE3-CB 3.82Å; W584-A607 HydrophobicContact CZ3-CB 4.47Å; W584-V610 HydrophobicContact CH2-CB 4.23Å; W584-V610 HydrophobicContact CH2-CG1 4.02Å; W584-V610 HydrophobicContact CH2-CG2 4.08Å; W584-V610 HydrophobicContact CZ3-CB 3.9Å; W584-V610 HydrophobicContact CZ3-CG1 3.99Å; W584-V610 HydrophobicContact CZ3-CG2 4.08Å; W584-F611 HydrophobicContact CE3-CD2 4.38Å; W584-F611 HydrophobicContact CE3-CE2 4.03Å; W584-F611 HydrophobicContact CH2-CE2 4.25Å; W584-F611 HydrophobicContact CZ3-CD2 4.02Å; W584-F611 AromaticContact CZ3-CE2 3.6Å; W584-F611 HydrophobicContact CZ3-CE2 3.6Å
585	M	84.3	Confident	79.7	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.039	35%	0.35	C	S	.	.	H	α-helix	trans	-72.8	-40.2	171.6	-53.5	-45.8	-65.3	0	0	111.2	K581 H582 T583 A588 D589 Y604 V617 R620	K581-M585 VanDerWaalsContact O-CG 3.27Å; K581-M585 WeakPolarHBondContact O-CG 3.31Å; K581-M585 PolarHBondContact O-N 3.34Å; H582-M585 PolarHBondContact O-N 3.08Å; T583-M585 VanDerWaalsContact C-N 3.34Å; T583-M585 PolarHBondContact O-N 3.35Å; M585-A588 PolarHBondContact O-N 3.1Å; M585-D589 WeakPolarHBondContact O-CB 3.43Å; M585-D589 VanDerWaalsContact O-CG 3.25Å; M585-D589 PolarHBondContact O-N 2.82Å; M585-Y604 HydrophobicContact CE-CD1 4.38Å; M585-Y604 HydrophobicContact CE-CE1 3.65Å; M585-V617 HydrophobicContact CE-CB 4.49Å; M585-V617 HydrophobicContact CE-CG1 4.24Å; M585-V617 HydrophobicContact SD-CB 4.23Å; M585-V617 HydrophobicContact SD-CG1 3.87Å; M585-V617 HydrophobicContact SD-CG2 3.93Å; M585-R620 VanDerWaalsContact CB-NH1 3.35Å; M585-R620 HydrophobicContact CE-CB 3.49Å; M585-R620 VanDerWaalsContact CE-CB 3.49Å; M585-R620 HydrophobicContact CE-CG 3.82Å
586	E	85.3	Confident	80.3	Confident	100 Å²	100	65.2 Å²	65.2	47%	0.467	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-43.9	178	-71.4	-179.8	128.2	0	0	112	H582 T583 A588 D589 S590	H582-E586 IonicContact CE1-OE1 3.42Å; H582-E586 PolarHBondContact CE1-OE1 2.82Å; H582-E586 IonicContact CE1-OE2 3.85Å; H582-E586 PolarHBondContact CE1-OE2 3.02Å; H582-E586 VanDerWaalsContact CE1-OE2 3.27Å; H582-E586 IonicContact CG-OE2 2.79Å; H582-E586 IonicContact ND1-OE1 3.88Å; H582-E586 IonicContact ND1-OE2 3.92Å; H582-E586 PolarHBondContact ND1-OE2 3.37Å; H582-E586 PolarHBondContact O-N 2.84Å; T583-E586 PolarHBondContact O-N 2.99Å; E586-A588 VanDerWaalsContact C-N 3.34Å; E586-A588 PolarHBondContact O-N 2.9Å; E586-D589 PolarHBondContact O-N 3.38Å; E586-S590 VanDerWaalsContact O-CB 3.22Å; E586-S590 WeakPolarHBondContact O-CB 3.42Å; E586-S590 PolarHBondContact O-N 2.93Å
587	D	83.6	Confident	81	Confident	35 Å²	35	60.1 Å²	60.1	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-40.6	174.6	-67.5	-35.2	0	0	0	111.3	R544 I548 T583 S590 C591	R544-D587 IonicContact CZ-OD2 3.9Å; R544-D587 IonicContact NE-OD2 3.78Å; R544-D587 PolarHBondContact NE-OD2 3.38Å; R544-D587 IonicContact NH2-OD2 2.62Å; R544-D587 PolarHBondContact NH2-OD2 3.21Å; I548-D587 HydrophobicContact CD1-CB 4.28Å; T583-D587 WeakPolarHBondContact O-CB 3.44Å; T583-D587 PolarHBondContact O-N 3.11Å; T583-D587 VanDerWaalsContact O-OD2 3.13Å; D587-S590 WeakPolarHBondContact O-CB 3.49Å; D587-S590 PolarHBondContact O-N 2.83Å; D587-C591 PolarHBondContact O-N 2.68Å; D587-C591 PolarHBondContact O-SG 2.78Å; D587-C591 VanDerWaalsContact O-SG 3.33Å
588	A	83.9	Confident	81.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-49.4	174.3	0	0	0	0	0	111.4	W584 M585 E586 S590 C591 V592 I603 Y604	W584-A588 VanDerWaalsContact O-CB 3.26Å; W584-A588 WeakPolarHBondContact O-CB 3.34Å; W584-A588 PolarHBondContact O-N 3.22Å; W584-A588 VanDerWaalsContact O-N 3.12Å; M585-A588 PolarHBondContact O-N 3.1Å; E586-A588 VanDerWaalsContact C-N 3.34Å; E586-A588 PolarHBondContact O-N 2.9Å; A588-S590 PolarHBondContact O-N 3.27Å; A588-C591 PolarHBondContact O-N 3.41Å; A588-V592 VanDerWaalsContact O-CG2 3.23Å; A588-V592 WeakPolarHBondContact O-CG2 3.35Å; A588-V592 PolarHBondContact O-N 2.92Å; A588-I603 HydrophobicContact CB-CB 4.2Å; A588-I603 HydrophobicContact CB-CD1 4.32Å; A588-I603 HydrophobicContact CB-CG2 3.84Å; A588-Y604 HydrophobicContact CB-CD1 4.44Å; A588-Y604 HydrophobicContact CB-CE1 3.85Å; A588-Y604 HydrophobicContact CB-CE2 3.95Å
589	D	84.8	Confident	82.4	Confident	65 Å²	65	47.5 Å²	47.5	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-31.4	178.2	-69.7	-31	0	0	0	111.6	M585 E586 A593 Y604 R620	M585-D589 WeakPolarHBondContact O-CB 3.43Å; M585-D589 VanDerWaalsContact O-CG 3.25Å; M585-D589 PolarHBondContact O-N 2.82Å; E586-D589 PolarHBondContact O-N 3.38Å; D589-A593 PolarHBondContact O-N 2.84Å; D589-A593 VanDerWaalsContact O-N 3.09Å; D589-Y604 PolarHBondContact OD1-OH 3.3Å; D589-R620 IonicContact OD2-CZ 3.24Å; D589-R620 IonicContact OD2-NE 3.95Å; D589-R620 IonicContact OD2-NH1 3.31Å; D589-R620 PolarHBondContact OD2-NH1 3.29Å
590	S	85.9	Confident	82.6	Confident	49 Å²	49	42.8 Å²	42.8	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-67.3	-50.9	172	-173.8	0	0	0	0	112.1	E586 D587 A588 V592 A593 H594	E586-S590 VanDerWaalsContact O-CB 3.22Å; E586-S590 WeakPolarHBondContact O-CB 3.42Å; E586-S590 PolarHBondContact O-N 2.93Å; D587-S590 WeakPolarHBondContact O-CB 3.49Å; D587-S590 PolarHBondContact O-N 2.83Å; A588-S590 PolarHBondContact O-N 3.27Å; S590-V592 PolarHBondContact O-N 3.37Å; S590-A593 WeakPolarHBondContact O-CA 3.27Å; S590-A593 WeakPolarHBondContact O-CB 3.45Å; S590-A593 PolarHBondContact O-N 3.41Å; S590-H594 PolarHBondContact O-N 2.82Å; S590-H594 PolarHBondContact O-ND1 3.21Å; S590-H594 PolarHBondContact OG-CE1 2.71Å; S590-H594 VanDerWaalsContact OG-CE1 3.31Å; S590-H594 PolarHBondContact OG-ND1 3.24Å
591	C	82.6	Confident	82.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-36.1	176.7	-69.8	0	0	0	0	112.2	I548 E552 D587 A588 H594 G595 A596 C599 I603	I548-C591 WeakPolarHBondContact CG2-SG 3.48Å; E552-C591 WeakPolarHBondContact OE1-CA 3.31Å; E552-C591 PolarHBondContact OE1-SG 3Å; D587-C591 PolarHBondContact O-N 2.68Å; D587-C591 PolarHBondContact O-SG 2.78Å; D587-C591 VanDerWaalsContact O-SG 3.33Å; A588-C591 PolarHBondContact O-N 3.41Å; C591-H594 CarbonylContact O-C 3.59Å; C591-H594 PolarHBondContact O-N 3.15Å; C591-G595 PolarHBondContact O-N 3.32Å; C591-A596 HydrophobicContact CB-CB 4.45Å; C591-A596 PolarHBondContact O-N 3.2Å; C591-C599 HydrophobicContact CB-CB 4.5Å; C591-I603 HydrophobicContact CB-CD1 4.29Å
592	V	84.9	Confident	83.1	Confident	33 Å²	33	39.6 Å²	39.6	20%	0.2	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-42.5	172.2	175.2	0	0	0	0	111.3	A588 S590 G595 A600 F624	A588-V592 VanDerWaalsContact O-CG2 3.23Å; A588-V592 WeakPolarHBondContact O-CG2 3.35Å; A588-V592 PolarHBondContact O-N 2.92Å; S590-V592 PolarHBondContact O-N 3.37Å; V592-G595 PolarHBondContact O-N 3.06Å; V592-A600 HydrophobicContact CG2-CB 3.52Å; V592-F624 HydrophobicContact CG1-CD2 4.31Å; V592-F624 HydrophobicContact CG1-CE2 4.46Å; V592-F624 HydrophobicContact CG2-CD2 3.39Å; V592-F624 HydrophobicContact CG2-CE2 3.48Å; V592-F624 VanDerWaalsContact CG2-CE2 3.48Å; V592-F624 HydrophobicContact CG2-CG 4.49Å
593	A	84.1	Confident	83.2	Confident	86 Å²	86	34.6 Å²	34.6	71%	0.711	20%	0.201	S	C	*	.	H	α-helix	trans	-66	-34.7	175.9	0	0	0	0	0	113	D589 S590 G595	D589-A593 PolarHBondContact O-N 2.84Å; D589-A593 VanDerWaalsContact O-N 3.09Å; S590-A593 WeakPolarHBondContact O-CA 3.27Å; S590-A593 WeakPolarHBondContact O-CB 3.45Å; S590-A593 PolarHBondContact O-N 3.41Å; A593-G595 VanDerWaalsContact C-N 3.29Å; A593-G595 PolarHBondContact O-N 2.64Å
594	H	81.9	Confident	83.2	Confident	104 Å²	104	33.2 Å²	33.2	48%	0.481	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.6	175.4	-64.3	105.1	0	0	0	114.4	E552 K556 S590 C591	E552-H594 IonicContact OE1-CG 2.64Å; E552-H594 IonicContact OE1-ND1 3.6Å; E552-H594 WeakPolarHBondContact OE2-CB 3.43Å; E552-H594 IonicContact OE2-CG 2.73Å; K556-H594 VanDerWaalsContact CE-O 3.3Å; K556-H594 WeakPolarHBondContact CE-O 3.4Å; K556-H594 PolarHBondContact NZ-O 3.46Å; S590-H594 PolarHBondContact O-N 2.82Å; S590-H594 PolarHBondContact O-ND1 3.21Å; S590-H594 PolarHBondContact OG-CE1 2.71Å; S590-H594 VanDerWaalsContact OG-CE1 3.31Å; S590-H594 PolarHBondContact OG-ND1 3.24Å; C591-H594 CarbonylContact O-C 3.59Å; C591-H594 PolarHBondContact O-N 3.15Å
595	G	77.9	Confident	83.2	Confident	45 Å²	45	35.2 Å²	35.2	46%	0.464	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	10.7	173.8	0	0	0	0	0	116	C591 V592 A593 L597	C591-G595 PolarHBondContact O-N 3.32Å; V592-G595 PolarHBondContact O-N 3.06Å; A593-G595 VanDerWaalsContact C-N 3.29Å; A593-G595 PolarHBondContact O-N 2.64Å; G595-L597 PolarHBondContact O-N 2.84Å
596	A	81.3	Confident	83.1	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.008	22%	0.216	C	C	.	.			trans	-92.2	87.7	179.1	0	0	0	0	0	110.7	E552 D555 C591 C599 A600	E552-A596 HydrophobicContact CB-CB 3.92Å; E552-A596 HydrophobicContact CG-CB 3.65Å; D555-A596 HydrophobicContact CB-CB 4.25Å; D555-A596 VanDerWaalsContact OD2-CA 3.23Å; D555-A596 WeakPolarHBondContact OD2-CA 3.28Å; C591-A596 HydrophobicContact CB-CB 4.45Å; C591-A596 PolarHBondContact O-N 3.2Å; A596-C599 HydrophobicContact CB-CB 3.79Å; A596-A600 PolarHBondContact O-N 3.47Å
597	L	82.8	Confident	83	Confident	50 Å²	50	32 Å²	32	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-77.9	-38.6	-170	-56.3	178.6	0	0	0	112.6	D555 G595 C599 A600 R601 F624 H628	D555-L597 PolarHBondContact OD2-N 3.47Å; D555-L597 VanDerWaalsContact OD2-N 3.11Å; G595-L597 PolarHBondContact O-N 2.84Å; L597-C599 VanDerWaalsContact C-N 3.34Å; L597-A600 PolarHBondContact O-N 3.04Å; L597-R601 PolarHBondContact O-N 2.91Å; L597-F624 HydrophobicContact CB-CZ 4.27Å; L597-F624 HydrophobicContact CD2-CE2 4Å; L597-F624 HydrophobicContact CD2-CZ 4.42Å; L597-F624 WeakPolarHBondContact O-CZ 3.38Å; L597-H628 HydrophobicContact CD1-CB 4.2Å; L597-H628 HydrophobicContact CD2-CB 3.99Å
598	E	79.5	Confident	82.9	Confident	51 Å²	51	30.9 Å²	30.9	24%	0.238	19%	0.189	C	C	.	.	H	α-helix	trans	-75.5	-31.1	178.9	-52.8	-57.5	154.2	0	0	110.7	D555 V560 R601 A602	D555-E598 WeakPolarHBondContact OD1-CB 3.27Å; D555-E598 WeakPolarHBondContact OD1-CG 3.16Å; D555-E598 PolarHBondContact OD2-N 3.3Å; V560-E598 HydrophobicContact CB-CB 4.32Å; V560-E598 HydrophobicContact CB-CG 4.36Å; V560-E598 HydrophobicContact CG1-CB 4.2Å; V560-E598 HydrophobicContact CG1-CG 3.82Å; E598-R601 PolarHBondContact O-N 3.23Å; E598-R601 IonicContact OE1-CZ 2.68Å; E598-R601 IonicContact OE1-NH1 3.4Å; E598-R601 PolarHBondContact OE1-NH1 2.98Å; E598-R601 IonicContact OE1-NH2 3.48Å; E598-R601 WeakPolarHBondContact OE2-CD 3.38Å; E598-R601 IonicContact OE2-CZ 2.9Å; E598-R601 IonicContact OE2-NE 2.67Å; E598-R601 IonicContact OE2-NH1 3.77Å; E598-R601 PolarHBondContact OE2-NH1 3.32Å; E598-A602 PolarHBondContact O-N 3.12Å
599	C	80.4	Confident	82.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-50.3	167.1	-68.5	0	0	0	0	111.5	A551 D555 I567 C591 A596 L597 R601 A602 I603	A551-C599 PolarHBondContact O-SG 2.99Å; A551-C599 VanDerWaalsContact O-SG 3.4Å; D555-C599 PolarHBondContact OD2-N 2.87Å; D555-C599 VanDerWaalsContact OD2-N 3.12Å; I567-C599 VanDerWaalsContact CD1-CA 3.46Å; I567-C599 HydrophobicContact CD1-CB 3.41Å; I567-C599 VanDerWaalsContact CD1-CB 3.41Å; I567-C599 VanDerWaalsContact CD1-SG 3.57Å; C591-C599 HydrophobicContact CB-CB 4.5Å; A596-C599 HydrophobicContact CB-CB 3.79Å; L597-C599 VanDerWaalsContact C-N 3.34Å; C599-R601 VanDerWaalsContact C-N 3.33Å; C599-R601 PolarHBondContact O-N 2.81Å; C599-A602 VanDerWaalsContact O-CB 3.32Å; C599-A602 WeakPolarHBondContact O-CB 3.46Å; C599-A602 PolarHBondContact O-N 3.33Å; C599-A602 VanDerWaalsContact O-N 3.09Å; C599-I603 WeakPolarHBondContact O-CG1 3.42Å; C599-I603 PolarHBondContact O-N 2.71Å
600	A	83.3	Confident	82.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-41.1	176.1	0	0	0	0	0	112.2	V592 A596 L597 A602 I603 Y604 F624	V592-A600 HydrophobicContact CG2-CB 3.52Å; A596-A600 PolarHBondContact O-N 3.47Å; L597-A600 PolarHBondContact O-N 3.04Å; A600-A602 VanDerWaalsContact C-N 3.33Å; A600-A602 PolarHBondContact O-N 3.48Å; A600-I603 PolarHBondContact O-N 3.13Å; A600-Y604 HydrophobicContact CB-CD2 4.47Å; A600-Y604 HydrophobicContact CB-CE2 4.32Å; A600-Y604 WeakPolarHBondContact O-CB 3.35Å; A600-Y604 WeakPolarHBondContact O-CD2 3.28Å; A600-Y604 PolarHBondContact O-N 3.39Å; A600-F624 HydrophobicContact CB-CD2 4.44Å; A600-F624 HydrophobicContact CB-CE2 3.91Å; A600-F624 HydrophobicContact CB-CZ 3.95Å
601	R	84.3	Confident	82.5	Confident	50 Å²	50	36.9 Å²	36.9	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-41.4	172.6	-72.8	-172.9	-169.2	133.3	15.2	112.8	L597 E598 C599 Y604 A605 F624 E625 H628	L597-R601 PolarHBondContact O-N 2.91Å; E598-R601 PolarHBondContact O-N 3.23Å; E598-R601 IonicContact OE1-CZ 2.68Å; E598-R601 IonicContact OE1-NH1 3.4Å; E598-R601 PolarHBondContact OE1-NH1 2.98Å; E598-R601 IonicContact OE1-NH2 3.48Å; E598-R601 WeakPolarHBondContact OE2-CD 3.38Å; E598-R601 IonicContact OE2-CZ 2.9Å; E598-R601 IonicContact OE2-NE 2.67Å; E598-R601 IonicContact OE2-NH1 3.77Å; E598-R601 PolarHBondContact OE2-NH1 3.32Å; C599-R601 VanDerWaalsContact C-N 3.33Å; C599-R601 PolarHBondContact O-N 2.81Å; R601-Y604 PolarHBondContact O-N 3.05Å; R601-A605 VanDerWaalsContact O-CB 3.29Å; R601-A605 WeakPolarHBondContact O-CB 3.46Å; R601-A605 PolarHBondContact O-N 2.99Å; R601-F624 HydrophobicContact CG-CE1 3.5Å; R601-F624 HydrophobicContact CG-CZ 4.11Å; R601-E625 VanDerWaalsContact CD-OE1 3.31Å; R601-E625 WeakPolarHBondContact CD-OE1 3.18Å; R601-E625 WeakPolarHBondContact CG-OE1 3.41Å; R601-E625 IonicContact CZ-OE1 3.85Å; R601-E625 IonicContact NE-OE1 2.64Å; R601-E625 PolarHBondContact NE-OE1 3.36Å; R601-E625 IonicContact NE-OE2 2.65Å; R601-H628 PolarHBondContact NH2-O 3.4Å
602	A	82.8	Confident	82.3	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-46.2	176.3	0	0	0	0	0	111.7	Q564 I567 E598 C599 A600 A605 H606	Q564-A602 HydrophobicContact CB-CB 4.18Å; Q564-A602 HydrophobicContact CG-CB 3.79Å; I567-A602 HydrophobicContact CB-CB 4.16Å; I567-A602 HydrophobicContact CD1-CB 4.24Å; I567-A602 HydrophobicContact CG2-CB 3.82Å; E598-A602 PolarHBondContact O-N 3.12Å; C599-A602 VanDerWaalsContact O-CB 3.32Å; C599-A602 WeakPolarHBondContact O-CB 3.46Å; C599-A602 PolarHBondContact O-N 3.33Å; C599-A602 VanDerWaalsContact O-N 3.09Å; A600-A602 VanDerWaalsContact C-N 3.33Å; A600-A602 PolarHBondContact O-N 3.48Å; A602-A605 PolarHBondContact O-N 2.89Å; A602-H606 WeakPolarHBondContact O-CB 3.31Å; A602-H606 PolarHBondContact O-N 3.14Å
603	I	84.1	Confident	81.8	Confident	3 Å²	3	42 Å²	42	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-48.9	176.5	-58.2	162.1	0	0	0	110.1	I567 I571 W584 A588 C591 C599 A600 H606 A607	I567-I603 HydrophobicContact CG2-CB 4.47Å; I567-I603 HydrophobicContact CG2-CG1 3.58Å; I571-I603 HydrophobicContact CD1-CB 4Å; I571-I603 HydrophobicContact CD1-CG1 3.87Å; I571-I603 HydrophobicContact CD1-CG2 3.93Å; W584-I603 HydrophobicContact CB-CG2 4.34Å; W584-I603 WeakPolarHBondContact O-CG2 3.46Å; A588-I603 HydrophobicContact CB-CB 4.2Å; A588-I603 HydrophobicContact CB-CD1 4.32Å; A588-I603 HydrophobicContact CB-CG2 3.84Å; C591-I603 HydrophobicContact CB-CD1 4.29Å; C599-I603 WeakPolarHBondContact O-CG1 3.42Å; C599-I603 PolarHBondContact O-N 2.71Å; A600-I603 PolarHBondContact O-N 3.13Å; I603-H606 PolarHBondContact O-N 3.11Å; I603-A607 VanDerWaalsContact O-CB 3.26Å; I603-A607 WeakPolarHBondContact O-CB 3.48Å; I603-A607 PolarHBondContact O-N 3.28Å
604	Y	84.9	Confident	81.5	Confident	8 Å²	8	41.6 Å²	41.6	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-45	178.2	-74.4	-53.3	0	0	0	112.5	M585 A588 D589 A600 R601 H606 A607 L608 R620 A621 F624	M585-Y604 HydrophobicContact CE-CD1 4.38Å; M585-Y604 HydrophobicContact CE-CE1 3.65Å; A588-Y604 HydrophobicContact CB-CD1 4.44Å; A588-Y604 HydrophobicContact CB-CE1 3.85Å; A588-Y604 HydrophobicContact CB-CE2 3.95Å; D589-Y604 PolarHBondContact OD1-OH 3.3Å; A600-Y604 HydrophobicContact CB-CD2 4.47Å; A600-Y604 HydrophobicContact CB-CE2 4.32Å; A600-Y604 WeakPolarHBondContact O-CB 3.35Å; A600-Y604 WeakPolarHBondContact O-CD2 3.28Å; A600-Y604 PolarHBondContact O-N 3.39Å; R601-Y604 PolarHBondContact O-N 3.05Å; Y604-H606 PolarHBondContact O-N 3.14Å; Y604-A607 PolarHBondContact O-N 3.41Å; Y604-L608 VanDerWaalsContact O-CB 3.3Å; Y604-L608 WeakPolarHBondContact O-CB 3.39Å; Y604-L608 WeakPolarHBondContact O-CD1 3.45Å; Y604-L608 WeakPolarHBondContact O-CG 3.26Å; Y604-L608 PolarHBondContact O-N 2.84Å; Y604-R620 HydrophobicContact CE1-CB 4.29Å; Y604-A621 HydrophobicContact CD1-CB 3.83Å; Y604-A621 HydrophobicContact CD2-CB 4.5Å; Y604-A621 HydrophobicContact CE1-CB 4.39Å; Y604-A621 HydrophobicContact CG-CB 3.9Å; Y604-F624 HydrophobicContact CD2-CB 4.36Å; Y604-F624 AromaticContact CD2-CD1 3.86Å; Y604-F624 HydrophobicContact CD2-CD1 3.86Å; Y604-F624 HydrophobicContact CD2-CG 4.08Å; Y604-F624 HydrophobicContact CE2-CB 3.7Å; Y604-F624 AromaticContact CE2-CD1 3.9Å; Y604-F624 HydrophobicContact CE2-CD1 3.9Å; Y604-F624 HydrophobicContact CE2-CD2 4.21Å; Y604-F624 AromaticContact CE2-CG 3.61Å; Y604-F624 HydrophobicContact CE2-CG 3.61Å
605	A	84.6	Confident	81.5	Confident	48 Å²	48	44 Å²	44	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-44.2	178.5	0	0	0	0	0	112.1	R601 A602 Q609	R601-A605 VanDerWaalsContact O-CB 3.29Å; R601-A605 WeakPolarHBondContact O-CB 3.46Å; R601-A605 PolarHBondContact O-N 2.99Å; A602-A605 PolarHBondContact O-N 2.89Å; A605-Q609 WeakPolarHBondContact O-CG 3.37Å; A605-Q609 PolarHBondContact O-N 2.79Å; A605-Q609 VanDerWaalsContact O-N 3.14Å
606	H	81.9	Confident	81.7	Confident	36 Å²	36	43.8 Å²	43.8	17%	0.167	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-46.7	176.3	-176	-94.6	0	0	0	112	I571 W584 A602 I603 Y604 L608 Q609 V610	I571-H606 HydrophobicContact CD1-CB 4.22Å; I571-H606 WeakPolarHBondContact CG2-ND1 3.47Å; W584-H606 AromaticContact CH2-CE1 4Å; A602-H606 WeakPolarHBondContact O-CB 3.31Å; A602-H606 PolarHBondContact O-N 3.14Å; I603-H606 PolarHBondContact O-N 3.11Å; Y604-H606 PolarHBondContact O-N 3.14Å; H606-L608 PolarHBondContact O-N 2.83Å; H606-Q609 PolarHBondContact O-N 3.35Å; H606-V610 WeakPolarHBondContact O-CG2 3.32Å; H606-V610 PolarHBondContact O-N 3.11Å; H606-V610 VanDerWaalsContact O-N 3.13Å
607	A	83.3	Confident	81.9	Confident	3 Å²	3	43.8 Å²	43.8	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-33.6	178	0	0	0	0	0	113	W584 I603 Y604 F611 V617	W584-A607 HydrophobicContact CE3-CB 3.82Å; W584-A607 HydrophobicContact CZ3-CB 4.47Å; I603-A607 VanDerWaalsContact O-CB 3.26Å; I603-A607 WeakPolarHBondContact O-CB 3.48Å; I603-A607 PolarHBondContact O-N 3.28Å; Y604-A607 PolarHBondContact O-N 3.41Å; A607-F611 PolarHBondContact O-N 3.12Å; A607-V617 HydrophobicContact CB-CG1 4.17Å
608	L	82.6	Confident	82	Confident	13 Å²	13	41.8 Å²	41.8	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-77.1	-32.8	177.9	-70.3	170.9	0	0	0	113.4	Y604 H606 V617 W618 A621 L637	Y604-L608 VanDerWaalsContact O-CB 3.3Å; Y604-L608 WeakPolarHBondContact O-CB 3.39Å; Y604-L608 WeakPolarHBondContact O-CD1 3.45Å; Y604-L608 WeakPolarHBondContact O-CG 3.26Å; Y604-L608 PolarHBondContact O-N 2.84Å; H606-L608 PolarHBondContact O-N 2.83Å; L608-V617 HydrophobicContact CD2-CB 4.1Å; L608-V617 HydrophobicContact CD2-CG1 3.61Å; L608-V617 HydrophobicContact CG-CG1 4.1Å; L608-W618 HydrophobicContact CB-CH2 4.46Å; L608-W618 HydrophobicContact CD1-CE3 3.93Å; L608-W618 HydrophobicContact CD1-CH2 4.41Å; L608-W618 HydrophobicContact CD1-CZ3 3.88Å; L608-W618 HydrophobicContact CD2-CB 4.47Å; L608-W618 HydrophobicContact CD2-CD2 3.41Å; L608-W618 VanDerWaalsContact CD2-CD2 3.41Å; L608-W618 HydrophobicContact CD2-CE3 3.67Å; L608-W618 HydrophobicContact CD2-CG 3.77Å; L608-W618 HydrophobicContact CD2-CH2 4.28Å; L608-W618 HydrophobicContact CD2-CZ2 4.05Å; L608-W618 HydrophobicContact CD2-CZ3 4.12Å; L608-W618 HydrophobicContact CG-CE3 4.4Å; L608-W618 HydrophobicContact CG-CZ3 4.47Å; L608-A621 HydrophobicContact CD1-CB 4.13Å; L608-L637 HydrophobicContact CD1-CD1 3.59Å
609	Q	83.1	Confident	82.3	Confident	144 Å²	144	41.8 Å²	41.8	67%	0.673	22%	0.223	S	C	*	.	H	α-helix	trans	-64.4	-42.1	171.1	-75.2	174.3	-12.8	0	0	111.4	A605 H606	A605-Q609 WeakPolarHBondContact O-CG 3.37Å; A605-Q609 PolarHBondContact O-N 2.79Å; A605-Q609 VanDerWaalsContact O-N 3.14Å; H606-Q609 PolarHBondContact O-N 3.35Å
610	V	82.8	Confident	82.4	Confident	63 Å²	63	46.5 Å²	46.5	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-76.4	-35.3	-179.8	179	0	0	0	0	112.5	W584 H606 P612	W584-V610 HydrophobicContact CH2-CB 4.23Å; W584-V610 HydrophobicContact CH2-CG1 4.02Å; W584-V610 HydrophobicContact CH2-CG2 4.08Å; W584-V610 HydrophobicContact CZ3-CB 3.9Å; W584-V610 HydrophobicContact CZ3-CG1 3.99Å; W584-V610 HydrophobicContact CZ3-CG2 4.08Å; H606-V610 WeakPolarHBondContact O-CG2 3.32Å; H606-V610 PolarHBondContact O-N 3.11Å; H606-V610 VanDerWaalsContact O-N 3.13Å; V610-P612 VanDerWaalsContact C-CD 3.49Å
611	F	78.8	Confident	82.5	Confident	32 Å²	32	46.6 Å²	46.6	14%	0.14	24%	0.241	C	C	.	.			trans	-124.7	64.9	-178.3	-58.1	-62.7	0	0	0	114.9	R580 K581 W584 A607 S613 K614	R580-F611 HydrophobicContact CB-CE2 4.37Å; R580-F611 HydrophobicContact CB-CZ 4.35Å; K581-F611 HydrophobicContact CB-CE2 4.22Å; W584-F611 HydrophobicContact CE3-CD2 4.38Å; W584-F611 HydrophobicContact CE3-CE2 4.03Å; W584-F611 HydrophobicContact CH2-CE2 4.25Å; W584-F611 HydrophobicContact CZ3-CD2 4.02Å; W584-F611 AromaticContact CZ3-CE2 3.6Å; W584-F611 HydrophobicContact CZ3-CE2 3.6Å; A607-F611 PolarHBondContact O-N 3.12Å; F611-S613 PolarHBondContact O-N 3.5Å; F611-K614 HydrophobicContact CB-CD 4.3Å; F611-K614 HydrophobicContact CD1-CD 4.47Å; F611-K614 HydrophobicContact CG-CD 4.45Å
612	P	78.5	Confident	82.4	Confident	47 Å²	47	44.2 Å²	44.2	31%	0.305	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.9	-177.5	-23.6	33.7	0	0	0	115.3	V610 W618 H644 C645	V610-P612 VanDerWaalsContact C-CD 3.49Å; P612-W618 PolarHBondContact O-NE1 3.3Å; P612-H644 HydrophobicContact CB-CB 4.19Å; P612-C645 PolarHBondContact O-SG 3.33Å
613	S	74.5	Confident	82.4	Confident	95 Å²	95	49.1 Å²	49.1	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.8	-169	59.4	0	0	0	0	116	F611	F611-S613 PolarHBondContact O-N 3.5Å
614	K	78.4	Confident	82.5	Confident	76 Å²	76	49.4 Å²	49.4	33%	0.33	25%	0.252	S	S	.	.			trans	-99.5	105.5	-168.7	-67.9	178.5	-176.2	167.9	0	112.1	K581 F611 S616 V617	K581-K614 HydrophobicContact CD-CD 4.06Å; F611-K614 HydrophobicContact CB-CD 4.3Å; F611-K614 HydrophobicContact CD1-CD 4.47Å; F611-K614 HydrophobicContact CG-CD 4.45Å; K614-S616 PolarHBondContact O-N 3.46Å; K614-V617 HydrophobicContact CB-CG2 4.23Å; K614-V617 PolarHBondContact O-N 3.18Å; K614-V617 VanDerWaalsContact O-N 3.12Å
615	K	81.5	Confident	82.3	Confident	154 Å²	154	49.7 Å²	49.7	67%	0.67	25%	0.254	S	S	*	.	H	α-helix	trans	-48.6	-33	-178.4	76.6	177	-175.7	179	0	115.7	V617 L619 A648	K615-V617 PolarHBondContact O-N 3.29Å; K615-L619 WeakPolarHBondContact O-CB 3.11Å; K615-L619 PolarHBondContact O-N 2.84Å; K615-A648 HydrophobicContact CB-CB 4.37Å
616	S	83.3	Confident	82.2	Confident	41 Å²	41	52.1 Å²	52.1	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-31	-175.2	65	0	0	0	0	113.5	K581 K614 R620	K581-S616 WeakPolarHBondContact CE-OG 3.37Å; K581-S616 PolarHBondContact NZ-OG 2.86Å; K614-S616 PolarHBondContact O-N 3.46Å; S616-R620 PolarHBondContact O-N 2.78Å; S616-R620 VanDerWaalsContact O-N 3.1Å
617	V	84.6	Confident	82.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-73.3	-52.1	-178.5	-174.7	0	0	0	0	108.9	K581 M585 A607 L608 K614 K615 L619 R620 A621	K581-V617 HydrophobicContact CG-CG2 4.3Å; M585-V617 HydrophobicContact CE-CB 4.49Å; M585-V617 HydrophobicContact CE-CG1 4.24Å; M585-V617 HydrophobicContact SD-CB 4.23Å; M585-V617 HydrophobicContact SD-CG1 3.87Å; M585-V617 HydrophobicContact SD-CG2 3.93Å; A607-V617 HydrophobicContact CB-CG1 4.17Å; L608-V617 HydrophobicContact CD2-CB 4.1Å; L608-V617 HydrophobicContact CD2-CG1 3.61Å; L608-V617 HydrophobicContact CG-CG1 4.1Å; K614-V617 HydrophobicContact CB-CG2 4.23Å; K614-V617 PolarHBondContact O-N 3.18Å; K614-V617 VanDerWaalsContact O-N 3.12Å; K615-V617 PolarHBondContact O-N 3.29Å; V617-L619 PolarHBondContact O-N 3.18Å; V617-R620 PolarHBondContact O-N 2.95Å; V617-A621 WeakPolarHBondContact O-CB 3.41Å; V617-A621 PolarHBondContact O-N 2.98Å
618	W	85.6	Confident	81.8	Confident	8 Å²	8	59.1 Å²	59.1	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-52.5	-40.7	171.6	-69.9	108.4	0	0	0	113.1	L608 P612 A622 L637 R640 A641 H644 L651	L608-W618 HydrophobicContact CB-CH2 4.46Å; L608-W618 HydrophobicContact CD1-CE3 3.93Å; L608-W618 HydrophobicContact CD1-CH2 4.41Å; L608-W618 HydrophobicContact CD1-CZ3 3.88Å; L608-W618 HydrophobicContact CD2-CB 4.47Å; L608-W618 HydrophobicContact CD2-CD2 3.41Å; L608-W618 VanDerWaalsContact CD2-CD2 3.41Å; L608-W618 HydrophobicContact CD2-CE3 3.67Å; L608-W618 HydrophobicContact CD2-CG 3.77Å; L608-W618 HydrophobicContact CD2-CH2 4.28Å; L608-W618 HydrophobicContact CD2-CZ2 4.05Å; L608-W618 HydrophobicContact CD2-CZ3 4.12Å; L608-W618 HydrophobicContact CG-CE3 4.4Å; L608-W618 HydrophobicContact CG-CZ3 4.47Å; P612-W618 PolarHBondContact O-NE1 3.3Å; W618-A622 VanDerWaalsContact O-CB 3.23Å; W618-A622 WeakPolarHBondContact O-CB 3.49Å; W618-A622 PolarHBondContact O-N 3.37Å; W618-L637 HydrophobicContact CE3-CD1 4.12Å; W618-L637 HydrophobicContact CZ3-CD1 3.82Å; W618-R640 HydrophobicContact CH2-CB 3.88Å; W618-R640 HydrophobicContact CZ3-CB 4.05Å; W618-A641 HydrophobicContact CD2-CB 3.73Å; W618-A641 HydrophobicContact CE3-CB 3.28Å; W618-A641 HydrophobicContact CG-CB 4.32Å; W618-A641 HydrophobicContact CH2-CB 4.44Å; W618-A641 HydrophobicContact CZ3-CB 3.67Å; W618-H644 HydrophobicContact CZ2-CB 3.91Å; W618-H644 AromaticContact CZ2-CD2 3.97Å; W618-L651 HydrophobicContact CB-CD1 3.55Å; W618-L651 HydrophobicContact CB-CD2 4.08Å; W618-L651 HydrophobicContact CB-CG 4.49Å; W618-L651 HydrophobicContact CG-CD1 4.19Å
619	L	84.8	Confident	81.2	Confident	52 Å²	52	59.8 Å²	59.8	27%	0.272	30%	0.302	S	S	.	.	H	α-helix	trans	-70.9	-41.4	-179.2	173.9	144.1	0	0	0	112.8	K615 V617 A622 Y623 V650 L651 M654	K615-L619 WeakPolarHBondContact O-CB 3.11Å; K615-L619 PolarHBondContact O-N 2.84Å; V617-L619 PolarHBondContact O-N 3.18Å; L619-A622 PolarHBondContact O-N 3.1Å; L619-Y623 HydrophobicContact CD1-CE2 4.17Å; L619-Y623 HydrophobicContact CD2-CD2 3.79Å; L619-Y623 HydrophobicContact CD2-CE2 3.58Å; L619-Y623 HydrophobicContact CG-CD2 3.94Å; L619-Y623 HydrophobicContact CG-CE2 3.61Å; L619-Y623 WeakPolarHBondContact O-CD2 3.44Å; L619-Y623 PolarHBondContact O-N 3.29Å; L619-V650 HydrophobicContact CD1-CB 4.37Å; L619-V650 HydrophobicContact CD1-CG1 4.12Å; L619-L651 HydrophobicContact CB-CD2 4.46Å; L619-M654 HydrophobicContact CD1-CE 4.29Å; L619-M654 HydrophobicContact CG-CE 4.18Å
620	R	83.6	Confident	80.6	Confident	98 Å²	98	56.7 Å²	56.7	37%	0.37	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-43.2	172.2	-69.1	-156.1	-162.7	168.9	5.5	111.4	M585 D589 Y604 S616 V617 A622 Y623 F624	M585-R620 VanDerWaalsContact CB-NH1 3.35Å; M585-R620 HydrophobicContact CE-CB 3.49Å; M585-R620 VanDerWaalsContact CE-CB 3.49Å; M585-R620 HydrophobicContact CE-CG 3.82Å; D589-R620 IonicContact OD2-CZ 3.24Å; D589-R620 IonicContact OD2-NE 3.95Å; D589-R620 IonicContact OD2-NH1 3.31Å; D589-R620 PolarHBondContact OD2-NH1 3.29Å; Y604-R620 HydrophobicContact CE1-CB 4.29Å; S616-R620 PolarHBondContact O-N 2.78Å; S616-R620 VanDerWaalsContact O-N 3.1Å; V617-R620 PolarHBondContact O-N 2.95Å; R620-A622 VanDerWaalsContact C-N 3.32Å; R620-A622 PolarHBondContact O-N 3.18Å; R620-Y623 PolarHBondContact O-N 3.25Å; R620-Y623 VanDerWaalsContact O-N 3.16Å; R620-F624 WeakPolarHBondContact O-CB 3.17Å; R620-F624 PolarHBondContact O-N 3.43Å
621	A	83.6	Confident	79.9	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-41.2	175.6	0	0	0	0	0	112.3	Y604 L608 V617 F624 E625 L637	Y604-A621 HydrophobicContact CD1-CB 3.83Å; Y604-A621 HydrophobicContact CD2-CB 4.5Å; Y604-A621 HydrophobicContact CE1-CB 4.39Å; Y604-A621 HydrophobicContact CG-CB 3.9Å; L608-A621 HydrophobicContact CD1-CB 4.13Å; V617-A621 WeakPolarHBondContact O-CB 3.41Å; V617-A621 PolarHBondContact O-N 2.98Å; A621-F624 PolarHBondContact O-N 2.79Å; A621-E625 WeakPolarHBondContact O-CB 3.4Å; A621-E625 PolarHBondContact O-N 3.37Å; A621-L637 HydrophobicContact CB-CD2 3.86Å
622	A	83.1	Confident	79.9	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-68.1	-35.8	175.4	0	0	0	0	0	113	W618 L619 R620 K626 L638 L651 M654	W618-A622 VanDerWaalsContact O-CB 3.23Å; W618-A622 WeakPolarHBondContact O-CB 3.49Å; W618-A622 PolarHBondContact O-N 3.37Å; L619-A622 PolarHBondContact O-N 3.1Å; R620-A622 VanDerWaalsContact C-N 3.32Å; R620-A622 PolarHBondContact O-N 3.18Å; A622-K626 WeakPolarHBondContact O-CB 3.06Å; A622-K626 PolarHBondContact O-N 2.83Å; A622-L638 HydrophobicContact CB-CD2 4.04Å; A622-L651 HydrophobicContact CB-CD2 4.15Å; A622-M654 HydrophobicContact CB-CE 4.13Å; A622-M654 HydrophobicContact CB-SD 4.01Å
623	Y	83.8	Confident	80	Confident	107 Å²	107	68.8 Å²	68.8	42%	0.42	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-38.8	172.1	-78.5	-55.5	0	0	0	112.6	L619 R620 K626 N627 M654	L619-Y623 HydrophobicContact CD1-CE2 4.17Å; L619-Y623 HydrophobicContact CD2-CD2 3.79Å; L619-Y623 HydrophobicContact CD2-CE2 3.58Å; L619-Y623 HydrophobicContact CG-CD2 3.94Å; L619-Y623 HydrophobicContact CG-CE2 3.61Å; L619-Y623 WeakPolarHBondContact O-CD2 3.44Å; L619-Y623 PolarHBondContact O-N 3.29Å; R620-Y623 PolarHBondContact O-N 3.25Å; R620-Y623 VanDerWaalsContact O-N 3.16Å; Y623-K626 WeakPolarHBondContact O-CB 3.23Å; Y623-K626 PolarHBondContact O-N 3.41Å; Y623-N627 VanDerWaalsContact O-CG 3.23Å; Y623-N627 PolarHBondContact O-N 3.23Å; Y623-N627 PolarHBondContact O-OD1 3.43Å; Y623-M654 HydrophobicContact CD1-SD 4.38Å; Y623-M654 HydrophobicContact CE1-SD 4.11Å; Y623-M654 HydrophobicContact CE2-CE 4.43Å
624	F	84.4	Confident	80.2	Confident	9 Å²	9	65.3 Å²	65.3	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-50.5	173.1	167	-96.5	0	0	0	111	V592 L597 A600 R601 Y604 R620 A621 K626 N627 H628	V592-F624 HydrophobicContact CG1-CD2 4.31Å; V592-F624 HydrophobicContact CG1-CE2 4.46Å; V592-F624 HydrophobicContact CG2-CD2 3.39Å; V592-F624 HydrophobicContact CG2-CE2 3.48Å; V592-F624 VanDerWaalsContact CG2-CE2 3.48Å; V592-F624 HydrophobicContact CG2-CG 4.49Å; L597-F624 HydrophobicContact CB-CZ 4.27Å; L597-F624 HydrophobicContact CD2-CE2 4Å; L597-F624 HydrophobicContact CD2-CZ 4.42Å; L597-F624 WeakPolarHBondContact O-CZ 3.38Å; A600-F624 HydrophobicContact CB-CD2 4.44Å; A600-F624 HydrophobicContact CB-CE2 3.91Å; A600-F624 HydrophobicContact CB-CZ 3.95Å; R601-F624 HydrophobicContact CG-CE1 3.5Å; R601-F624 HydrophobicContact CG-CZ 4.11Å; Y604-F624 HydrophobicContact CD2-CB 4.36Å; Y604-F624 AromaticContact CD2-CD1 3.86Å; Y604-F624 HydrophobicContact CD2-CD1 3.86Å; Y604-F624 HydrophobicContact CD2-CG 4.08Å; Y604-F624 HydrophobicContact CE2-CB 3.7Å; Y604-F624 AromaticContact CE2-CD1 3.9Å; Y604-F624 HydrophobicContact CE2-CD1 3.9Å; Y604-F624 HydrophobicContact CE2-CD2 4.21Å; Y604-F624 AromaticContact CE2-CG 3.61Å; Y604-F624 HydrophobicContact CE2-CG 3.61Å; R620-F624 WeakPolarHBondContact O-CB 3.17Å; R620-F624 PolarHBondContact O-N 3.43Å; A621-F624 PolarHBondContact O-N 2.79Å; F624-K626 VanDerWaalsContact C-N 3.28Å; F624-K626 PolarHBondContact O-N 3.49Å; F624-N627 PolarHBondContact O-N 3.36Å; F624-H628 HydrophobicContact CD2-CB 4.35Å; F624-H628 AromaticContact CD2-CD2 3.63Å; F624-H628 HydrophobicContact CE2-CB 3.77Å; F624-H628 AromaticContact CE2-CD2 3.63Å; F624-H628 AromaticContact CE2-CG 3.89Å; F624-H628 HydrophobicContact CZ-CB 3.97Å; F624-H628 PolarHBondContact O-N 3.24Å
625	E	81.9	Confident	80.2	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.065	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-28.5	175	-74.8	-61.7	130.1	0	0	112.8	R601 A621 N627 G629 S633 L634 L637	R601-E625 VanDerWaalsContact CD-OE1 3.31Å; R601-E625 WeakPolarHBondContact CD-OE1 3.18Å; R601-E625 WeakPolarHBondContact CG-OE1 3.41Å; R601-E625 IonicContact CZ-OE1 3.85Å; R601-E625 IonicContact NE-OE1 2.64Å; R601-E625 PolarHBondContact NE-OE1 3.36Å; R601-E625 IonicContact NE-OE2 2.65Å; A621-E625 WeakPolarHBondContact O-CB 3.4Å; A621-E625 PolarHBondContact O-N 3.37Å; E625-N627 VanDerWaalsContact C-N 3.33Å; E625-G629 WeakPolarHBondContact O-CA 3.35Å; E625-G629 PolarHBondContact O-N 2.81Å; E625-G629 WeakPolarHBondContact OE2-CA 3.41Å; E625-S633 VanDerWaalsContact OE2-CB 3.24Å; E625-S633 WeakPolarHBondContact OE2-CB 3.25Å; E625-S633 PolarHBondContact OE2-OG 3.44Å; E625-L634 HydrophobicContact CB-CB 4.11Å; E625-L634 HydrophobicContact CB-CD1 3.66Å; E625-L634 HydrophobicContact CB-CG 4.47Å; E625-L637 HydrophobicContact CB-CD2 4.32Å; E625-L637 HydrophobicContact CG-CD2 3.78Å
626	K	82.4	Confident	80.3	Confident	99 Å²	99	57.8 Å²	57.8	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-35.5	171	-165.3	-154.9	171.2	-155.2	0	112	A622 Y623 F624 N944	A622-K626 WeakPolarHBondContact O-CB 3.06Å; A622-K626 PolarHBondContact O-N 2.83Å; Y623-K626 WeakPolarHBondContact O-CB 3.23Å; Y623-K626 PolarHBondContact O-N 3.41Å; F624-K626 VanDerWaalsContact C-N 3.28Å; F624-K626 PolarHBondContact O-N 3.49Å; K626-N944 PolarHBondContact NZ-O 3.49Å
627	N	81.3	Confident	80.3	Confident	112 Å²	112	56.9 Å²	56.9	60%	0.599	28%	0.276	S	S	*	.	H	α-helix	trans	-86.9	-34.3	-175.3	-68.2	-8.1	0	0	0	113.2	Y623 F624 E625	Y623-N627 VanDerWaalsContact O-CG 3.23Å; Y623-N627 PolarHBondContact O-N 3.23Å; Y623-N627 PolarHBondContact O-OD1 3.43Å; F624-N627 PolarHBondContact O-N 3.36Å; E625-N627 VanDerWaalsContact C-N 3.33Å
628	H	76.1	Confident	80.1	Confident	73 Å²	73	57.2 Å²	57.2	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-132.3	-5.3	-168.7	-58.6	-75.7	0	0	0	113.9	L597 R601 F624	L597-H628 HydrophobicContact CD1-CB 4.2Å; L597-H628 HydrophobicContact CD2-CB 3.99Å; R601-H628 PolarHBondContact NH2-O 3.4Å; F624-H628 HydrophobicContact CD2-CB 4.35Å; F624-H628 AromaticContact CD2-CD2 3.63Å; F624-H628 HydrophobicContact CE2-CB 3.77Å; F624-H628 AromaticContact CE2-CD2 3.63Å; F624-H628 AromaticContact CE2-CG 3.89Å; F624-H628 HydrophobicContact CZ-CB 3.97Å; F624-H628 PolarHBondContact O-N 3.24Å
629	G	68.9	Low	79.9	Confident	28 Å²	28	62.9 Å²	62.9	29%	0.289	31%	0.305	S	S	.	.			trans	-84	161.3	-173	0	0	0	0	0	114.3	E625	E625-G629 WeakPolarHBondContact O-CA 3.35Å; E625-G629 PolarHBondContact O-N 2.81Å; E625-G629 WeakPolarHBondContact OE2-CA 3.41Å
630	T	70.8	Confident	79.7	Confident	79 Å²	79	67.9 Å²	67.9	49%	0.485	32%	0.32	S	S	.	.			trans	-75.5	156.1	159.5	71.8	0	0	0	0	109.1	E632 S633 L634	T630-E632 PolarHBondContact O-N 2.96Å; T630-S633 PolarHBondContact N-OG 2.87Å; T630-S633 PolarHBondContact O-N 3.49Å; T630-S633 PolarHBondContact O-OG 3.39Å; T630-S633 VanDerWaalsContact OG1-CB 3.31Å; T630-S633 WeakPolarHBondContact OG1-CB 3.34Å; T630-S633 PolarHBondContact OG1-N 2.96Å; T630-S633 PolarHBondContact OG1-OG 3.49Å; T630-L634 PolarHBondContact O-N 3.46Å; T630-L634 VanDerWaalsContact O-N 3.11Å
631	R	68.9	Low	79.6	Confident	206 Å²	206	63.3 Å²	63.3	78%	0.777	30%	0.303	S	S	*	.	H	α-helix	trans	-61.2	-35.8	178.8	-64	178.5	-178.4	131.4	0.6	111.4	E635	R631-E635 VanDerWaalsContact O-CG 3.29Å; R631-E635 WeakPolarHBondContact O-CG 3.34Å; R631-E635 PolarHBondContact O-N 2.94Å; R631-E635 VanDerWaalsContact O-N 3.09Å
632	E	78.4	Confident	79.3	Confident	156 Å²	156	65 Å²	65	73%	0.729	31%	0.313	S	S	*	.	H	α-helix	trans	-72.8	-40	179.9	-63.6	172.7	-167.1	0	0	112.5	T630 E635 A636	T630-E632 PolarHBondContact O-N 2.96Å; E632-E635 PolarHBondContact O-N 3.22Å; E632-A636 WeakPolarHBondContact O-CB 3.48Å; E632-A636 PolarHBondContact O-N 3.29Å
633	S	79.2	Confident	79.1	Confident	33 Å²	33	68.5 Å²	68.5	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-39.4	175.4	55.3	0	0	0	0	112	E625 T630 L637	E625-S633 VanDerWaalsContact OE2-CB 3.24Å; E625-S633 WeakPolarHBondContact OE2-CB 3.25Å; E625-S633 PolarHBondContact OE2-OG 3.44Å; T630-S633 PolarHBondContact N-OG 2.87Å; T630-S633 PolarHBondContact O-N 3.49Å; T630-S633 PolarHBondContact O-OG 3.39Å; T630-S633 VanDerWaalsContact OG1-CB 3.31Å; T630-S633 WeakPolarHBondContact OG1-CB 3.34Å; T630-S633 PolarHBondContact OG1-N 2.96Å; T630-S633 PolarHBondContact OG1-OG 3.49Å; S633-L637 VanDerWaalsContact O-CB 3.26Å; S633-L637 WeakPolarHBondContact O-CB 3.06Å; S633-L637 PolarHBondContact O-N 2.99Å
634	L	78.9	Confident	78.8	Confident	22 Å²	22	68.7 Å²	68.7	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-60.9	-44.2	171.5	179.9	63.5	0	0	0	111.9	E625 T630 L637 L638	E625-L634 HydrophobicContact CB-CB 4.11Å; E625-L634 HydrophobicContact CB-CD1 3.66Å; E625-L634 HydrophobicContact CB-CG 4.47Å; T630-L634 PolarHBondContact O-N 3.46Å; T630-L634 VanDerWaalsContact O-N 3.11Å; L634-L637 PolarHBondContact O-N 2.69Å; L634-L638 HydrophobicContact CD1-CD1 3.73Å; L634-L638 HydrophobicContact CD1-CG 4.17Å; L634-L638 HydrophobicContact CG-CD1 3.78Å; L634-L638 WeakPolarHBondContact O-CB 3.39Å; L634-L638 WeakPolarHBondContact O-CD1 3.3Å; L634-L638 WeakPolarHBondContact O-CG 3.44Å; L634-L638 PolarHBondContact O-N 3.04Å
635	E	79.1	Confident	78.2	Confident	36 Å²	36	69 Å²	69	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-46.7	177.7	-75	178.3	-178.7	0	0	112.8	R631 E632 L637 L638 Q639 K659	R631-E635 VanDerWaalsContact O-CG 3.29Å; R631-E635 WeakPolarHBondContact O-CG 3.34Å; R631-E635 PolarHBondContact O-N 2.94Å; R631-E635 VanDerWaalsContact O-N 3.09Å; E632-E635 PolarHBondContact O-N 3.22Å; E635-L637 VanDerWaalsContact C-N 3.3Å; E635-L637 PolarHBondContact O-N 3.43Å; E635-L638 PolarHBondContact O-N 3.15Å; E635-Q639 WeakPolarHBondContact O-CG 3.36Å; E635-Q639 PolarHBondContact O-N 3.3Å; E635-K659 WeakPolarHBondContact OE1-CD 3.27Å; E635-K659 WeakPolarHBondContact OE1-CE 3.49Å; E635-K659 IonicContact OE1-NZ 2.86Å; E635-K659 PolarHBondContact OE1-NZ 3.14Å; E635-K659 VanDerWaalsContact OE2-CE 3.32Å; E635-K659 WeakPolarHBondContact OE2-CE 3.43Å; E635-K659 IonicContact OE2-NZ 2.71Å; E635-K659 PolarHBondContact OE2-NZ 3.38Å
636	A	83.1	Confident	77.8	Confident	37 Å²	37	71 Å²	71	31%	0.306	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-39.2	177	0	0	0	0	0	111.6	E632 R640	E632-A636 WeakPolarHBondContact O-CB 3.48Å; E632-A636 PolarHBondContact O-N 3.29Å; A636-R640 VanDerWaalsContact O-CG 3.28Å; A636-R640 WeakPolarHBondContact O-CG 3.38Å; A636-R640 PolarHBondContact O-N 2.9Å
637	L	83.2	Confident	77.5	Confident	21 Å²	21	75 Å²	75	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-63.1	-47.3	173.2	-177.8	70.1	0	0	0	111.2	L608 W618 A621 E625 S633 L634 E635 R640 A641	L608-L637 HydrophobicContact CD1-CD1 3.59Å; W618-L637 HydrophobicContact CE3-CD1 4.12Å; W618-L637 HydrophobicContact CZ3-CD1 3.82Å; A621-L637 HydrophobicContact CB-CD2 3.86Å; E625-L637 HydrophobicContact CB-CD2 4.32Å; E625-L637 HydrophobicContact CG-CD2 3.78Å; S633-L637 VanDerWaalsContact O-CB 3.26Å; S633-L637 WeakPolarHBondContact O-CB 3.06Å; S633-L637 PolarHBondContact O-N 2.99Å; L634-L637 PolarHBondContact O-N 2.69Å; E635-L637 VanDerWaalsContact C-N 3.3Å; E635-L637 PolarHBondContact O-N 3.43Å; L637-R640 PolarHBondContact O-N 3.38Å; L637-A641 WeakPolarHBondContact O-CB 3.32Å; L637-A641 PolarHBondContact O-N 3.48Å
638	L	80.1	Confident	77.3	Confident	8 Å²	8	70.3 Å²	70.3	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-69.7	-33.5	-177.6	-71.2	168.9	0	0	0	112.8	A622 L634 E635 A641 V642 L651 M654	A622-L638 HydrophobicContact CB-CD2 4.04Å; L634-L638 HydrophobicContact CD1-CD1 3.73Å; L634-L638 HydrophobicContact CD1-CG 4.17Å; L634-L638 HydrophobicContact CG-CD1 3.78Å; L634-L638 WeakPolarHBondContact O-CB 3.39Å; L634-L638 WeakPolarHBondContact O-CD1 3.3Å; L634-L638 WeakPolarHBondContact O-CG 3.44Å; L634-L638 PolarHBondContact O-N 3.04Å; E635-L638 PolarHBondContact O-N 3.15Å; L638-A641 WeakPolarHBondContact O-CB 3.42Å; L638-A641 PolarHBondContact O-N 2.9Å; L638-V642 WeakPolarHBondContact O-CB 3.28Å; L638-V642 WeakPolarHBondContact O-CG2 3.5Å; L638-V642 PolarHBondContact O-N 2.69Å; L638-L651 HydrophobicContact CD2-CD2 4.27Å; L638-M654 HydrophobicContact CD1-CB 4.42Å; L638-M654 HydrophobicContact CD2-CB 4.25Å
639	Q	81.8	Confident	77.4	Confident	128 Å²	128	69.8 Å²	69.8	60%	0.598	36%	0.356	S	S	*	.	H	α-helix	trans	-63.1	-45.1	171	-73.8	176.8	2.4	0	0	111.8	E635 A641 V642 A643	E635-Q639 WeakPolarHBondContact O-CG 3.36Å; E635-Q639 PolarHBondContact O-N 3.3Å; Q639-A641 VanDerWaalsContact C-N 3.33Å; Q639-V642 PolarHBondContact O-N 3.09Å; Q639-A643 PolarHBondContact O-N 2.9Å; Q639-A643 VanDerWaalsContact O-N 3.12Å
640	R	81.8	Confident	78.1	Confident	157 Å²	157	71.3 Å²	71.3	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-62.5	-41.4	173.2	-67.4	168.7	-175	170	3.1	111.4	W618 A636 L637 V642 A643 H644	W618-R640 HydrophobicContact CH2-CB 3.88Å; W618-R640 HydrophobicContact CZ3-CB 4.05Å; A636-R640 VanDerWaalsContact O-CG 3.28Å; A636-R640 WeakPolarHBondContact O-CG 3.38Å; A636-R640 PolarHBondContact O-N 2.9Å; L637-R640 PolarHBondContact O-N 3.38Å; R640-V642 VanDerWaalsContact C-N 3.33Å; R640-V642 PolarHBondContact O-N 2.91Å; R640-A643 PolarHBondContact O-N 3.41Å; R640-H644 PolarHBondContact O-CD2 3.39Å; R640-H644 PolarHBondContact O-N 3.5Å; R640-H644 VanDerWaalsContact O-N 3.08Å
641	A	80.8	Confident	78.6	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-41.5	178.5	0	0	0	0	0	112.1	W618 L637 L638 Q639 C645 L651	W618-A641 HydrophobicContact CD2-CB 3.73Å; W618-A641 HydrophobicContact CE3-CB 3.28Å; W618-A641 HydrophobicContact CG-CB 4.32Å; W618-A641 HydrophobicContact CH2-CB 4.44Å; W618-A641 HydrophobicContact CZ3-CB 3.67Å; L637-A641 WeakPolarHBondContact O-CB 3.32Å; L637-A641 PolarHBondContact O-N 3.48Å; L638-A641 WeakPolarHBondContact O-CB 3.42Å; L638-A641 PolarHBondContact O-N 2.9Å; Q639-A641 VanDerWaalsContact C-N 3.33Å; A641-C645 WeakPolarHBondContact O-CA 3.27Å; A641-C645 WeakPolarHBondContact O-CB 3.39Å; A641-C645 PolarHBondContact O-N 3.07Å; A641-L651 HydrophobicContact CB-CD1 4.16Å
642	V	76.8	Confident	79.3	Confident	37 Å²	37	58.5 Å²	58.5	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-44.4	174.6	153	0	0	0	0	111.8	L638 Q639 R640 W652	L638-V642 WeakPolarHBondContact O-CB 3.28Å; L638-V642 WeakPolarHBondContact O-CG2 3.5Å; L638-V642 PolarHBondContact O-N 2.69Å; Q639-V642 PolarHBondContact O-N 3.09Å; R640-V642 VanDerWaalsContact C-N 3.33Å; R640-V642 PolarHBondContact O-N 2.91Å; V642-W652 HydrophobicContact CB-CH2 4.15Å; V642-W652 HydrophobicContact CB-CZ2 4.25Å; V642-W652 HydrophobicContact CB-CZ3 4.34Å; V642-W652 HydrophobicContact CG1-CE3 4.43Å; V642-W652 HydrophobicContact CG1-CH2 3.22Å; V642-W652 HydrophobicContact CG1-CZ2 3.59Å; V642-W652 HydrophobicContact CG1-CZ3 3.68Å; V642-W652 HydrophobicContact CG2-CD2 3.73Å; V642-W652 HydrophobicContact CG2-CE3 3.59Å; V642-W652 HydrophobicContact CG2-CH2 3.91Å; V642-W652 HydrophobicContact CG2-CZ2 3.98Å; V642-W652 HydrophobicContact CG2-CZ3 3.69Å
643	A	80.4	Confident	79.5	Confident	76 Å²	76	52.3 Å²	52.3	63%	0.628	28%	0.275	S	S	*	.	H	α-helix	trans	-65.8	-39.8	179.9	0	0	0	0	0	112.9	Q639 R640	Q639-A643 PolarHBondContact O-N 2.9Å; Q639-A643 VanDerWaalsContact O-N 3.12Å; R640-A643 PolarHBondContact O-N 3.41Å
644	H	77.5	Confident	79.6	Confident	111 Å²	111	52 Å²	52	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-91.4	-26.3	-177.1	-66.8	-65.5	0	0	0	114.6	P612 W618 R640	P612-H644 HydrophobicContact CB-CB 4.19Å; W618-H644 HydrophobicContact CZ2-CB 3.91Å; W618-H644 AromaticContact CZ2-CD2 3.97Å; R640-H644 PolarHBondContact O-CD2 3.39Å; R640-H644 PolarHBondContact O-N 3.5Å; R640-H644 VanDerWaalsContact O-N 3.08Å
645	C	71.6	Confident	79.7	Confident	14 Å²	14	51.3 Å²	51.3	10%	0.095	27%	0.268	C	S	.	.			trans	-130.1	63.4	-176	-88.3	0	0	0	0	112.3	P612 A641 K647 A648	P612-C645 PolarHBondContact O-SG 3.33Å; A641-C645 WeakPolarHBondContact O-CA 3.27Å; A641-C645 WeakPolarHBondContact O-CB 3.39Å; A641-C645 PolarHBondContact O-N 3.07Å; C645-K647 PolarHBondContact O-N 3.4Å; C645-K647 VanDerWaalsContact O-N 3.14Å; C645-A648 HydrophobicContact CB-CB 4.16Å; C645-A648 WeakPolarHBondContact O-CB 3.35Å; C645-A648 PolarHBondContact O-N 2.91Å; C645-A648 VanDerWaalsContact O-N 3.11Å
646	P	73.8	Confident	79.8	Confident	58 Å²	58	49.9 Å²	49.9	38%	0.377	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.2	-175.5	23.6	-34.5	0	0	0	113.8	A648 W652 A678 N679	P646-A648 VanDerWaalsContact C-N 3.25Å; P646-A648 PolarHBondContact O-N 3.27Å; P646-W652 PolarHBondContact O-NE1 3.22Å; P646-A678 HydrophobicContact CB-CB 4.29Å; P646-N679 PolarHBondContact O-ND2 2.94Å
647	K	75.4	Confident	79.7	Confident	183 Å²	183	51.5 Å²	51.5	80%	0.796	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.2	179.7	-61.6	-178.4	179.9	179	0	114.7	C645 E649	C645-K647 PolarHBondContact O-N 3.4Å; C645-K647 VanDerWaalsContact O-N 3.14Å; K647-E649 PolarHBondContact O-N 3.49Å
648	A	75.8	Confident	79.7	Confident	13 Å²	13	51.4 Å²	51.4	11%	0.107	26%	0.264	C	S	.	.			trans	-92.8	80.6	-173.2	0	0	0	0	0	112	K615 C645 P646 V650 L651	K615-A648 HydrophobicContact CB-CB 4.37Å; C645-A648 HydrophobicContact CB-CB 4.16Å; C645-A648 WeakPolarHBondContact O-CB 3.35Å; C645-A648 PolarHBondContact O-N 2.91Å; C645-A648 VanDerWaalsContact O-N 3.11Å; P646-A648 VanDerWaalsContact C-N 3.25Å; P646-A648 PolarHBondContact O-N 3.27Å; A648-V650 VanDerWaalsContact C-N 3.28Å; A648-V650 PolarHBondContact O-N 2.75Å; A648-V650 VanDerWaalsContact O-N 3.13Å; A648-L651 HydrophobicContact CB-CB 4.46Å; A648-L651 HydrophobicContact CB-CD1 3.61Å; A648-L651 HydrophobicContact CB-CG 4.16Å; A648-L651 WeakPolarHBondContact O-CB 3.31Å; A648-L651 PolarHBondContact O-N 2.91Å
649	E	79	Confident	79.7	Confident	62 Å²	62	52.7 Å²	52.7	29%	0.29	27%	0.269	S	S	.	.	H	α-helix	trans	-46.5	-44.5	-176.5	-57	-179.9	-168.8	0	0	114.1	K647 L651 W652 L653 S682 I685	K647-E649 PolarHBondContact O-N 3.49Å; E649-L651 PolarHBondContact O-N 2.68Å; E649-W652 WeakPolarHBondContact O-CB 3.38Å; E649-W652 PolarHBondContact O-N 3.12Å; E649-W652 VanDerWaalsContact O-N 3.15Å; E649-L653 WeakPolarHBondContact O-CG 3.34Å; E649-L653 PolarHBondContact O-N 3.29Å; E649-S682 VanDerWaalsContact OE1-CB 3.26Å; E649-S682 WeakPolarHBondContact OE1-CB 3.37Å; E649-S682 PolarHBondContact OE1-OG 2.91Å; E649-I685 HydrophobicContact CG-CD1 4.38Å
650	V	82.8	Confident	79.7	Confident	60 Å²	60	48.1 Å²	48.1	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-30.9	-177.6	-166.8	0	0	0	0	112.5	L619 A648 L653 M654	L619-V650 HydrophobicContact CD1-CB 4.37Å; L619-V650 HydrophobicContact CD1-CG1 4.12Å; A648-V650 VanDerWaalsContact C-N 3.28Å; A648-V650 PolarHBondContact O-N 2.75Å; A648-V650 VanDerWaalsContact O-N 3.13Å; V650-L653 PolarHBondContact O-N 2.96Å; V650-M654 HydrophobicContact CG1-CE 3.87Å; V650-M654 WeakPolarHBondContact O-CG 3.35Å; V650-M654 PolarHBondContact O-N 2.92Å
651	L	82.4	Confident	79.6	Confident	5 Å²	5	46 Å²	46	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-73.4	-39.8	177.7	-63.4	169	0	0	0	111.1	W618 L619 A622 L638 A641 A648 E649 L653 M654 G655	W618-L651 HydrophobicContact CB-CD1 3.55Å; W618-L651 HydrophobicContact CB-CD2 4.08Å; W618-L651 HydrophobicContact CB-CG 4.49Å; W618-L651 HydrophobicContact CG-CD1 4.19Å; L619-L651 HydrophobicContact CB-CD2 4.46Å; A622-L651 HydrophobicContact CB-CD2 4.15Å; L638-L651 HydrophobicContact CD2-CD2 4.27Å; A641-L651 HydrophobicContact CB-CD1 4.16Å; A648-L651 HydrophobicContact CB-CB 4.46Å; A648-L651 HydrophobicContact CB-CD1 3.61Å; A648-L651 HydrophobicContact CB-CG 4.16Å; A648-L651 WeakPolarHBondContact O-CB 3.31Å; A648-L651 PolarHBondContact O-N 2.91Å; E649-L651 PolarHBondContact O-N 2.68Å; L651-L653 VanDerWaalsContact C-N 3.32Å; L651-L653 PolarHBondContact O-N 3.27Å; L651-M654 HydrophobicContact CD2-CE 3.91Å; L651-M654 PolarHBondContact O-N 3.09Å; L651-G655 PolarHBondContact O-N 2.87Å
652	W	83.6	Confident	79.4	Confident	11 Å²	11	48.1 Å²	48.1	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-42.5	170.2	-68.6	103.9	0	0	0	112	V642 P646 E649 G655 A656 I671 L674 A675 A678	V642-W652 HydrophobicContact CB-CH2 4.15Å; V642-W652 HydrophobicContact CB-CZ2 4.25Å; V642-W652 HydrophobicContact CB-CZ3 4.34Å; V642-W652 HydrophobicContact CG1-CE3 4.43Å; V642-W652 HydrophobicContact CG1-CH2 3.22Å; V642-W652 HydrophobicContact CG1-CZ2 3.59Å; V642-W652 HydrophobicContact CG1-CZ3 3.68Å; V642-W652 HydrophobicContact CG2-CD2 3.73Å; V642-W652 HydrophobicContact CG2-CE3 3.59Å; V642-W652 HydrophobicContact CG2-CH2 3.91Å; V642-W652 HydrophobicContact CG2-CZ2 3.98Å; V642-W652 HydrophobicContact CG2-CZ3 3.69Å; P646-W652 PolarHBondContact O-NE1 3.22Å; E649-W652 WeakPolarHBondContact O-CB 3.38Å; E649-W652 PolarHBondContact O-N 3.12Å; E649-W652 VanDerWaalsContact O-N 3.15Å; W652-G655 PolarHBondContact O-N 3.35Å; W652-A656 WeakPolarHBondContact O-CB 3.47Å; W652-A656 PolarHBondContact O-N 3.05Å; W652-I671 HydrophobicContact CE3-CG2 3.92Å; W652-I671 HydrophobicContact CZ3-CG2 4.22Å; W652-I671 WeakPolarHBondContact CZ3-O 3.33Å; W652-L674 HydrophobicContact CH2-CB 3.88Å; W652-L674 HydrophobicContact CZ3-CB 3.8Å; W652-A675 HydrophobicContact CB-CB 4.01Å; W652-A675 HydrophobicContact CD2-CB 3.58Å; W652-A675 HydrophobicContact CE3-CB 3.52Å; W652-A675 HydrophobicContact CG-CB 3.85Å; W652-A675 HydrophobicContact CZ3-CB 4.08Å; W652-A678 HydrophobicContact CZ2-CB 3.75Å
653	L	82.6	Confident	79.4	Confident	26 Å²	26	53 Å²	53	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-37.1	176.2	-65.9	178.7	0	0	0	112.5	E649 V650 L651 K657 E684 A688	E649-L653 WeakPolarHBondContact O-CG 3.34Å; E649-L653 PolarHBondContact O-N 3.29Å; V650-L653 PolarHBondContact O-N 2.96Å; L651-L653 VanDerWaalsContact C-N 3.32Å; L651-L653 PolarHBondContact O-N 3.27Å; L653-K657 VanDerWaalsContact O-CB 3.31Å; L653-K657 WeakPolarHBondContact O-CB 3.44Å; L653-K657 VanDerWaalsContact O-CG 3.31Å; L653-K657 WeakPolarHBondContact O-CG 3.48Å; L653-K657 PolarHBondContact O-N 3.5Å; L653-E684 HydrophobicContact CD1-CB 3.82Å; L653-A688 HydrophobicContact CD2-CB 3.26Å
654	M	80.8	Confident	79.6	Confident	26 Å²	26	52.3 Å²	52.3	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-41.7	172.7	-76.4	-167.7	-95.4	0	0	111.9	L619 A622 Y623 L638 V650 L651 K657 S658	L619-M654 HydrophobicContact CD1-CE 4.29Å; L619-M654 HydrophobicContact CG-CE 4.18Å; A622-M654 HydrophobicContact CB-CE 4.13Å; A622-M654 HydrophobicContact CB-SD 4.01Å; Y623-M654 HydrophobicContact CD1-SD 4.38Å; Y623-M654 HydrophobicContact CE1-SD 4.11Å; Y623-M654 HydrophobicContact CE2-CE 4.43Å; L638-M654 HydrophobicContact CD1-CB 4.42Å; L638-M654 HydrophobicContact CD2-CB 4.25Å; V650-M654 HydrophobicContact CG1-CE 3.87Å; V650-M654 WeakPolarHBondContact O-CG 3.35Å; V650-M654 PolarHBondContact O-N 2.92Å; L651-M654 HydrophobicContact CD2-CE 3.91Å; L651-M654 PolarHBondContact O-N 3.09Å; M654-K657 PolarHBondContact O-N 3.46Å; M654-S658 PolarHBondContact O-N 2.94Å; M654-S658 PolarHBondContact O-OG 2.68Å
655	G	80.6	Confident	79.7	Confident	7 Å²	7	48 Å²	48	7%	0.072	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.6	0	0	0	0	0	113.6	L651 W652 K657 S658 K659	L651-G655 PolarHBondContact O-N 2.87Å; W652-G655 PolarHBondContact O-N 3.35Å; G655-K657 VanDerWaalsContact C-N 3.32Å; G655-K657 PolarHBondContact O-N 2.81Å; G655-S658 PolarHBondContact O-N 3.42Å; G655-S658 PolarHBondContact O-OG 3.06Å; G655-K659 PolarHBondContact O-N 3.38Å
656	A	82.2	Confident	80.4	Confident	7 Å²	7	51.4 Å²	51.4	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-41	174.2	0	0	0	0	0	111.6	W652 W660 L672	W652-A656 WeakPolarHBondContact O-CB 3.47Å; W652-A656 PolarHBondContact O-N 3.05Å; A656-W660 VanDerWaalsContact O-CB 3.22Å; A656-W660 WeakPolarHBondContact O-CB 3.47Å; A656-W660 PolarHBondContact O-N 3.41Å; A656-L672 HydrophobicContact CB-CD1 4.09Å; A656-L672 HydrophobicContact CB-CD2 3.76Å; A656-L672 HydrophobicContact CB-CG 3.72Å
657	K	81.1	Confident	80.8	Confident	70 Å²	70	49.8 Å²	49.8	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-41.9	175.2	-83	-175.2	166	-149.8	0	113.1	L653 M654 G655 W660 L661 E946	L653-K657 VanDerWaalsContact O-CB 3.31Å; L653-K657 WeakPolarHBondContact O-CB 3.44Å; L653-K657 VanDerWaalsContact O-CG 3.31Å; L653-K657 WeakPolarHBondContact O-CG 3.48Å; L653-K657 PolarHBondContact O-N 3.5Å; M654-K657 PolarHBondContact O-N 3.46Å; G655-K657 VanDerWaalsContact C-N 3.32Å; G655-K657 PolarHBondContact O-N 2.81Å; K657-W660 PolarHBondContact O-N 2.81Å; K657-L661 WeakPolarHBondContact O-CG 3.22Å; K657-L661 PolarHBondContact O-N 3.07Å; K657-E946 IonicContact NZ-OE1 3.18Å; K657-E946 PolarHBondContact NZ-OE1 3.14Å; K657-E946 IonicContact NZ-OE2 2.68Å; K657-E946 PolarHBondContact NZ-OE2 2.93Å
658	S	82.1	Confident	81.2	Confident	19 Å²	19	41.1 Å²	41.1	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-46.5	-178.3	62.4	0	0	0	0	111.3	M654 G655 W660 L661 A662	M654-S658 PolarHBondContact O-N 2.94Å; M654-S658 PolarHBondContact O-OG 2.68Å; G655-S658 PolarHBondContact O-N 3.42Å; G655-S658 PolarHBondContact O-OG 3.06Å; S658-W660 VanDerWaalsContact C-N 3.34Å; S658-W660 PolarHBondContact O-N 3.47Å; S658-L661 PolarHBondContact O-N 3.41Å; S658-A662 PolarHBondContact O-N 2.68Å
659	K	81	Confident	81.6	Confident	36 Å²	36	43.3 Å²	43.3	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-38.3	173.2	-76.5	-64.1	-173.9	-168.6	0	113.2	E635 G655 A662 N663 D664 A667 A668 I671	E635-K659 WeakPolarHBondContact OE1-CD 3.27Å; E635-K659 WeakPolarHBondContact OE1-CE 3.49Å; E635-K659 IonicContact OE1-NZ 2.86Å; E635-K659 PolarHBondContact OE1-NZ 3.14Å; E635-K659 VanDerWaalsContact OE2-CE 3.32Å; E635-K659 WeakPolarHBondContact OE2-CE 3.43Å; E635-K659 IonicContact OE2-NZ 2.71Å; E635-K659 PolarHBondContact OE2-NZ 3.38Å; G655-K659 PolarHBondContact O-N 3.38Å; K659-A662 CarbonylContact O-C 3.17Å; K659-A662 WeakPolarHBondContact O-CB 3.39Å; K659-A662 PolarHBondContact O-N 3.45Å; K659-N663 PolarHBondContact O-N 3.25Å; K659-D664 HydrophobicContact CD-CB 4.48Å; K659-D664 PolarHBondContact O-N 3.13Å; K659-A667 HydrophobicContact CD-CB 4.24Å; K659-A667 HydrophobicContact CG-CB 4.44Å; K659-A668 HydrophobicContact CB-CB 3.92Å; K659-I671 HydrophobicContact CB-CD1 4.44Å; K659-I671 HydrophobicContact CG-CD1 3.66Å
660	W	81.8	Confident	82	Confident	32 Å²	32	43.7 Å²	43.7	12%	0.121	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-38.9	175	178.6	59.9	0	0	0	113.1	A656 K657 S658 A662 N663 A668 L692 E695	A656-W660 VanDerWaalsContact O-CB 3.22Å; A656-W660 WeakPolarHBondContact O-CB 3.47Å; A656-W660 PolarHBondContact O-N 3.41Å; K657-W660 PolarHBondContact O-N 2.81Å; S658-W660 VanDerWaalsContact C-N 3.34Å; S658-W660 PolarHBondContact O-N 3.47Å; W660-A662 VanDerWaalsContact C-N 3.27Å; W660-A662 PolarHBondContact O-N 2.87Å; W660-N663 WeakPolarHBondContact O-CA 3.39Å; W660-N663 PolarHBondContact O-N 3.19Å; W660-A668 HydrophobicContact CB-CB 4.38Å; W660-L692 HydrophobicContact CB-CD1 4.38Å; W660-L692 HydrophobicContact CG-CD1 4.43Å; W660-E695 VanDerWaalsContact CH2-CD 3.5Å; W660-E695 VanDerWaalsContact CH2-OE1 3.32Å; W660-E695 WeakPolarHBondContact CH2-OE1 3.39Å; W660-E695 VanDerWaalsContact CH2-OE2 3.25Å; W660-E695 WeakPolarHBondContact CH2-OE2 3.31Å; W660-E695 HydrophobicContact CZ2-CB 4.16Å; W660-E695 HydrophobicContact CZ2-CG 4.3Å; W660-E695 WeakPolarHBondContact CZ2-OE2 2.8Å
661	L	78.6	Confident	82	Confident	111 Å²	111	42.6 Å²	42.6	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-69.6	-23.6	173.3	-70.6	173.9	0	0	0	113	K657 S658 N663	K657-L661 WeakPolarHBondContact O-CG 3.22Å; K657-L661 PolarHBondContact O-N 3.07Å; S658-L661 PolarHBondContact O-N 3.41Å; L661-N663 PolarHBondContact O-N 3.32Å
662	A	76.8	Confident	82	Confident	47 Å²	47	42.7 Å²	42.7	39%	0.388	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5.5	168.2	0	0	0	0	0	113.4	S658 K659 W660 D664	S658-A662 PolarHBondContact O-N 2.68Å; K659-A662 CarbonylContact O-C 3.17Å; K659-A662 WeakPolarHBondContact O-CB 3.39Å; K659-A662 PolarHBondContact O-N 3.45Å; W660-A662 VanDerWaalsContact C-N 3.27Å; W660-A662 PolarHBondContact O-N 2.87Å; A662-D664 PolarHBondContact O-N 3.33Å
663	N	77.9	Confident	82.1	Confident	140 Å²	140	44.5 Å²	44.5	75%	0.749	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	8.3	-173.5	-59.3	-41.7	0	0	0	115.4	K659 W660 L661 V665	K659-N663 PolarHBondContact O-N 3.25Å; W660-N663 WeakPolarHBondContact O-CA 3.39Å; W660-N663 PolarHBondContact O-N 3.19Å; L661-N663 PolarHBondContact O-N 3.32Å; N663-V665 VanDerWaalsContact C-N 3.32Å; N663-V665 PolarHBondContact O-N 2.92Å
664	D	83.1	Confident	82.2	Confident	60 Å²	60	47.2 Å²	47.2	32%	0.321	27%	0.27	S	S	.	.			trans	-84.8	76	175	-170.6	-9.8	0	0	0	110.7	K659 A662 P666 A667 A668	K659-D664 HydrophobicContact CD-CB 4.48Å; K659-D664 PolarHBondContact O-N 3.13Å; A662-D664 PolarHBondContact O-N 3.33Å; D664-P666 WeakPolarHBondContact OD1-CD 3.44Å; D664-A667 HydrophobicContact CB-CB 4.32Å; D664-A667 VanDerWaalsContact OD1-CB 3.28Å; D664-A667 WeakPolarHBondContact OD1-CB 3.26Å; D664-A667 PolarHBondContact OD1-N 3.48Å; D664-A667 WeakPolarHBondContact OD2-CB 3.42Å; D664-A668 WeakPolarHBondContact O-CB 3.49Å; D664-A668 PolarHBondContact O-N 3.47Å; D664-A668 VanDerWaalsContact O-N 3.09Å
665	V	81.2	Confident	82.3	Confident	20 Å²	20	46 Å²	46	12%	0.121	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-42.5	177.2	-171.6	0	0	0	0	112.2	N663 A668 R669 L692 N696	N663-V665 VanDerWaalsContact C-N 3.32Å; N663-V665 PolarHBondContact O-N 2.92Å; V665-A668 PolarHBondContact O-N 3.39Å; V665-R669 WeakPolarHBondContact O-CG 3.29Å; V665-R669 PolarHBondContact O-N 2.86Å; V665-L692 HydrophobicContact CG1-CD2 3.86Å; V665-N696 VanDerWaalsContact CG1-ND2 3.29Å; V665-N696 WeakPolarHBondContact CG1-ND2 3.38Å
666	P	85	Confident	82.3	Confident	86 Å²	86	47.8 Å²	47.8	56%	0.558	27%	0.27	S	S	*	.	H	α-helix	trans	-60.3	-44.6	176	-25.1	36.5	0	0	0	114.1	D664 R669 S670	D664-P666 WeakPolarHBondContact OD1-CD 3.44Å; P666-R669 WeakPolarHBondContact O-CB 3.48Å; P666-R669 PolarHBondContact O-N 3.36Å; P666-S670 PolarHBondContact O-N 3.07Å
667	A	82.9	Confident	82.3	Confident	25 Å²	25	54.9 Å²	54.9	21%	0.207	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-38.5	177.2	0	0	0	0	0	112.1	K659 D664 R669 S670 I671	K659-A667 HydrophobicContact CD-CB 4.24Å; K659-A667 HydrophobicContact CG-CB 4.44Å; D664-A667 HydrophobicContact CB-CB 4.32Å; D664-A667 VanDerWaalsContact OD1-CB 3.28Å; D664-A667 WeakPolarHBondContact OD1-CB 3.26Å; D664-A667 PolarHBondContact OD1-N 3.48Å; D664-A667 WeakPolarHBondContact OD2-CB 3.42Å; A667-R669 VanDerWaalsContact C-N 3.31Å; A667-R669 PolarHBondContact O-N 2.84Å; A667-S670 WeakPolarHBondContact O-CB 3.33Å; A667-S670 PolarHBondContact O-N 3.31Å; A667-S670 VanDerWaalsContact O-N 3.12Å; A667-I671 WeakPolarHBondContact O-CG1 3.45Å; A667-I671 PolarHBondContact O-N 3.36Å
668	A	83.1	Confident	82.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-39.8	173.7	0	0	0	0	0	112.1	K659 W660 D664 V665 L672 L692	K659-A668 HydrophobicContact CB-CB 3.92Å; W660-A668 HydrophobicContact CB-CB 4.38Å; D664-A668 WeakPolarHBondContact O-CB 3.49Å; D664-A668 PolarHBondContact O-N 3.47Å; D664-A668 VanDerWaalsContact O-N 3.09Å; V665-A668 PolarHBondContact O-N 3.39Å; A668-L672 WeakPolarHBondContact O-CG 3.43Å; A668-L672 PolarHBondContact O-N 3.42Å; A668-L692 HydrophobicContact CB-CD1 3.66Å
669	R	84.7	Confident	82.2	Confident	60 Å²	60	53.5 Å²	53.5	23%	0.226	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-41	171.5	-73	168.2	171.7	142.6	-2.8	112.3	V665 P666 A667 L672 A673 L692 E693	V665-R669 WeakPolarHBondContact O-CG 3.29Å; V665-R669 PolarHBondContact O-N 2.86Å; P666-R669 WeakPolarHBondContact O-CB 3.48Å; P666-R669 PolarHBondContact O-N 3.36Å; A667-R669 VanDerWaalsContact C-N 3.31Å; A667-R669 PolarHBondContact O-N 2.84Å; R669-L672 PolarHBondContact O-N 2.92Å; R669-A673 WeakPolarHBondContact O-CB 3.34Å; R669-A673 PolarHBondContact O-N 2.95Å; R669-L692 HydrophobicContact CG-CD2 3.76Å; R669-E693 IonicContact CZ-OE1 3.78Å; R669-E693 IonicContact CZ-OE2 3.53Å; R669-E693 IonicContact NE-OE1 2.75Å; R669-E693 PolarHBondContact NE-OE1 3.24Å; R669-E693 IonicContact NE-OE2 2.74Å; R669-E693 PolarHBondContact NE-OE2 2.8Å; R669-E693 IonicContact NH2-OE1 3.61Å; R669-E693 IonicContact NH2-OE2 3.56Å; R669-E693 PolarHBondContact NH2-OE2 3.06Å
670	S	87.1	Confident	81.8	Confident	69 Å²	69	55.2 Å²	55.2	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-45.2	176.8	-171.9	0	0	0	0	112	P666 A667 L672 A673 L674	P666-S670 PolarHBondContact O-N 3.07Å; A667-S670 WeakPolarHBondContact O-CB 3.33Å; A667-S670 PolarHBondContact O-N 3.31Å; A667-S670 VanDerWaalsContact O-N 3.12Å; S670-L672 VanDerWaalsContact C-N 3.34Å; S670-L672 PolarHBondContact O-N 2.73Å; S670-A673 WeakPolarHBondContact O-CB 3.36Å; S670-A673 PolarHBondContact O-N 2.6Å; S670-A673 VanDerWaalsContact O-N 3.13Å; S670-L674 PolarHBondContact O-N 2.94Å
671	I	84.3	Confident	81.3	Confident	38 Å²	38	59.7 Å²	59.7	20%	0.195	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-40.7	175.4	-69.2	163.7	0	0	0	111.1	W652 K659 A667 L674 A675	W652-I671 HydrophobicContact CE3-CG2 3.92Å; W652-I671 HydrophobicContact CZ3-CG2 4.22Å; W652-I671 WeakPolarHBondContact CZ3-O 3.33Å; K659-I671 HydrophobicContact CB-CD1 4.44Å; K659-I671 HydrophobicContact CG-CD1 3.66Å; A667-I671 WeakPolarHBondContact O-CG1 3.45Å; A667-I671 PolarHBondContact O-N 3.36Å; I671-L674 PolarHBondContact O-N 3.14Å; I671-A675 WeakPolarHBondContact O-CB 3.29Å; I671-A675 PolarHBondContact O-N 2.9Å
672	L	82.5	Confident	80.9	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-33	174.1	-72.6	168.6	0	0	0	112.8	A656 A668 R669 S670 A675 F676 I685 A689 L692	A656-L672 HydrophobicContact CB-CD1 4.09Å; A656-L672 HydrophobicContact CB-CD2 3.76Å; A656-L672 HydrophobicContact CB-CG 3.72Å; A668-L672 WeakPolarHBondContact O-CG 3.43Å; A668-L672 PolarHBondContact O-N 3.42Å; R669-L672 PolarHBondContact O-N 2.92Å; S670-L672 VanDerWaalsContact C-N 3.34Å; S670-L672 PolarHBondContact O-N 2.73Å; L672-A675 WeakPolarHBondContact O-CB 3.38Å; L672-A675 PolarHBondContact O-N 3.3Å; L672-F676 WeakPolarHBondContact O-CD2 3.25Å; L672-F676 WeakPolarHBondContact O-CG 3.43Å; L672-F676 PolarHBondContact O-N 3.41Å; L672-I685 HydrophobicContact CD2-CG2 4Å; L672-A689 HydrophobicContact CD1-CB 4.18Å; L672-L692 HydrophobicContact CD1-CD1 4.12Å
673	A	84.3	Confident	80.8	Confident	49 Å²	49	55.5 Å²	55.5	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-65.8	-42.3	173.2	0	0	0	0	0	112	R669 S670 A675 F676 Q677	R669-A673 WeakPolarHBondContact O-CB 3.34Å; R669-A673 PolarHBondContact O-N 2.95Å; S670-A673 WeakPolarHBondContact O-CB 3.36Å; S670-A673 PolarHBondContact O-N 2.6Å; S670-A673 VanDerWaalsContact O-N 3.13Å; A673-A675 VanDerWaalsContact C-N 3.32Å; A673-F676 PolarHBondContact O-N 3.19Å; A673-Q677 PolarHBondContact O-N 3.3Å; A673-Q677 VanDerWaalsContact O-N 3.15Å
674	L	84.8	Confident	80.9	Confident	83 Å²	83	51.9 Å²	51.9	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-39.2	170	-69.3	167.7	0	0	0	111.4	W652 S670 I671 F676 Q677 A678	W652-L674 HydrophobicContact CH2-CB 3.88Å; W652-L674 HydrophobicContact CZ3-CB 3.8Å; S670-L674 PolarHBondContact O-N 2.94Å; I671-L674 PolarHBondContact O-N 3.14Å; L674-F676 VanDerWaalsContact C-N 3.33Å; L674-F676 PolarHBondContact O-N 3.4Å; L674-Q677 WeakPolarHBondContact O-CB 3.36Å; L674-Q677 PolarHBondContact O-N 3.33Å; L674-A678 PolarHBondContact O-N 2.93Å
675	A	83.4	Confident	80.9	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-35.8	176	0	0	0	0	0	112.6	W652 I671 L672 A673 A678 N679 I685	W652-A675 HydrophobicContact CB-CB 4.01Å; W652-A675 HydrophobicContact CD2-CB 3.58Å; W652-A675 HydrophobicContact CE3-CB 3.52Å; W652-A675 HydrophobicContact CG-CB 3.85Å; W652-A675 HydrophobicContact CZ3-CB 4.08Å; I671-A675 WeakPolarHBondContact O-CB 3.29Å; I671-A675 PolarHBondContact O-N 2.9Å; L672-A675 WeakPolarHBondContact O-CB 3.38Å; L672-A675 PolarHBondContact O-N 3.3Å; A673-A675 VanDerWaalsContact C-N 3.32Å; A675-A678 PolarHBondContact O-N 3.02Å; A675-N679 PolarHBondContact O-N 3.38Å; A675-I685 HydrophobicContact CB-CD1 4.13Å; A675-I685 HydrophobicContact CB-CG2 4.02Å
676	F	80.8	Confident	81	Confident	45 Å²	45	48.8 Å²	48.8	20%	0.197	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-33.3	172.6	-70.9	-52.2	0	0	0	113.2	L672 A673 L674 N679 I685 W686 A689	L672-F676 WeakPolarHBondContact O-CD2 3.25Å; L672-F676 WeakPolarHBondContact O-CG 3.43Å; L672-F676 PolarHBondContact O-N 3.41Å; A673-F676 PolarHBondContact O-N 3.19Å; L674-F676 VanDerWaalsContact C-N 3.33Å; L674-F676 PolarHBondContact O-N 3.4Å; F676-N679 CarbonylContact O-C 3.49Å; F676-I685 HydrophobicContact CD1-CG2 3.96Å; F676-I685 HydrophobicContact CE1-CB 4.32Å; F676-I685 HydrophobicContact CE1-CG2 3.68Å; F676-I685 HydrophobicContact CZ-CG2 4.12Å; F676-W686 HydrophobicContact CD1-CD2 4.32Å; F676-W686 AromaticContact CD1-CE2 3.97Å; F676-W686 HydrophobicContact CD1-CH2 4.35Å; F676-W686 AromaticContact CD1-CZ2 4Å; F676-W686 HydrophobicContact CD1-CZ2 4Å; F676-W686 AromaticContact CE1-CD2 3.44Å; F676-W686 HydrophobicContact CE1-CD2 3.44Å; F676-W686 VanDerWaalsContact CE1-CD2 3.44Å; F676-W686 AromaticContact CE1-CE2 3.56Å; F676-W686 AromaticContact CE1-CE3 3.69Å; F676-W686 HydrophobicContact CE1-CE3 3.69Å; F676-W686 AromaticContact CE1-CG 3.88Å; F676-W686 HydrophobicContact CE1-CG 3.88Å; F676-W686 HydrophobicContact CE1-CH2 4.09Å; F676-W686 AromaticContact CE1-CZ2 3.89Å; F676-W686 HydrophobicContact CE1-CZ2 3.89Å; F676-W686 HydrophobicContact CE1-CZ3 4.01Å; F676-W686 AromaticContact CZ-CD2 3.96Å; F676-W686 HydrophobicContact CZ-CD2 3.96Å; F676-W686 AromaticContact CZ-CE3 3.71Å; F676-W686 HydrophobicContact CZ-CE3 3.71Å; F676-W686 HydrophobicContact CZ-CH2 4.35Å; F676-W686 AromaticContact CZ-CZ3 3.92Å; F676-W686 HydrophobicContact CZ-CZ3 3.92Å; F676-A689 HydrophobicContact CE2-CB 4.08Å; F676-A689 HydrophobicContact CZ-CB 3.74Å
677	Q	82.4	Confident	80.9	Confident	155 Å²	155	45.3 Å²	45.3	72%	0.724	25%	0.251	S	S	*	.	H	α-helix	trans	-67.9	-40.3	172.4	-68.7	177.5	-5.4	0	0	111.3	A673 L674	A673-Q677 PolarHBondContact O-N 3.3Å; A673-Q677 VanDerWaalsContact O-N 3.15Å; L674-Q677 WeakPolarHBondContact O-CB 3.36Å; L674-Q677 PolarHBondContact O-N 3.33Å
678	A	80.4	Confident	80.8	Confident	42 Å²	42	45.4 Å²	45.4	35%	0.347	25%	0.252	S	S	.	.	H	α-helix	trans	-72.3	-38.4	177.9	0	0	0	0	0	113.2	P646 W652 L674 A675	P646-A678 HydrophobicContact CB-CB 4.29Å; W652-A678 HydrophobicContact CZ2-CB 3.75Å; L674-A678 PolarHBondContact O-N 2.93Å; A675-A678 PolarHBondContact O-N 3.02Å
679	N	79.8	Confident	80.8	Confident	18 Å²	18	45.7 Å²	45.7	10%	0.096	25%	0.254	C	S	.	.			trans	-137.4	86.5	-174.5	-54.1	-70.7	0	0	0	111.8	P646 A675 F676 N681 S682 I685	P646-N679 PolarHBondContact O-ND2 2.94Å; A675-N679 PolarHBondContact O-N 3.38Å; F676-N679 CarbonylContact O-C 3.49Å; N679-N681 VanDerWaalsContact C-N 3.29Å; N679-N681 PolarHBondContact O-N 3Å; N679-S682 WeakPolarHBondContact CB-OG 3.5Å; N679-I685 HydrophobicContact CB-CD1 4.02Å
680	P	73.4	Confident	80.7	Confident	73 Å²	73	43.1 Å²	43.1	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28	-177.8	-25.9	36.2	0	0	0	115.1	W686	P680-W686 PolarHBondContact O-NE1 3.42Å
681	N	70.2	Confident	80.6	Confident	126 Å²	126	43.4 Å²	43.4	67%	0.674	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.3	-166.8	-61.9	-3.2	0	0	0	114.4	N679 E683	N679-N681 VanDerWaalsContact C-N 3.29Å; N679-N681 PolarHBondContact O-N 3Å; N681-E683 PolarHBondContact O-N 3.41Å
682	S	71.4	Confident	80.5	Confident	10 Å²	10	42 Å²	42	7%	0.07	23%	0.231	C	C	.	.			trans	-83.6	109.1	-166.1	-62.6	0	0	0	0	113.6	E649 N679 E684 I685 W686	E649-S682 VanDerWaalsContact OE1-CB 3.26Å; E649-S682 WeakPolarHBondContact OE1-CB 3.37Å; E649-S682 PolarHBondContact OE1-OG 2.91Å; N679-S682 WeakPolarHBondContact CB-OG 3.5Å; S682-E684 VanDerWaalsContact C-N 3.3Å; S682-E684 PolarHBondContact O-N 3.12Å; S682-I685 PolarHBondContact O-N 2.97Å; S682-W686 VanDerWaalsContact O-CD1 3.29Å; S682-W686 PolarHBondContact O-N 3.07Å
683	E	75	Confident	80.5	Confident	60 Å²	60	42 Å²	42	28%	0.28	23%	0.23	S	C	.	.	H	α-helix	trans	-53.7	-41.7	-179.6	-60.9	-179.4	-162.3	0	0	113.7	N681 I685 W686 L687 A713 T715	N681-E683 PolarHBondContact O-N 3.41Å; E683-I685 VanDerWaalsContact C-N 3.29Å; E683-I685 PolarHBondContact O-N 3.34Å; E683-W686 PolarHBondContact O-N 3.38Å; E683-L687 VanDerWaalsContact O-CG 3.31Å; E683-L687 WeakPolarHBondContact O-CG 3.31Å; E683-L687 PolarHBondContact O-N 3.4Å; E683-A713 HydrophobicContact CG-CB 4.42Å; E683-T715 VanDerWaalsContact CD-CB 3.48Å; E683-T715 VanDerWaalsContact OE1-CB 3.29Å; E683-T715 WeakPolarHBondContact OE1-CB 3.46Å; E683-T715 WeakPolarHBondContact OE1-CG2 3.41Å; E683-T715 PolarHBondContact OE1-OG1 3.05Å; E683-T715 WeakPolarHBondContact OE2-CG2 3.43Å
684	E	80.2	Confident	80.3	Confident	64 Å²	64	40.5 Å²	40.5	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-68.7	-31.2	-172.7	-56	-141.4	119.4	0	0	112.2	L653 S682 L687 A688 R717	L653-E684 HydrophobicContact CD1-CB 3.82Å; S682-E684 VanDerWaalsContact C-N 3.3Å; S682-E684 PolarHBondContact O-N 3.12Å; E684-L687 PolarHBondContact O-N 3.37Å; E684-A688 VanDerWaalsContact O-CB 3.31Å; E684-A688 WeakPolarHBondContact O-CB 3.29Å; E684-A688 PolarHBondContact O-N 3.29Å; E684-R717 IonicContact OE1-CZ 2.96Å; E684-R717 VanDerWaalsContact OE1-CZ 3.25Å; E684-R717 IonicContact OE1-NH1 3.34Å; E684-R717 PolarHBondContact OE1-NH1 2.86Å; E684-R717 IonicContact OE1-NH2 3.53Å; E684-R717 PolarHBondContact OE1-NH2 2.9Å
685	I	82.9	Confident	80	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-45.5	176.2	-54.7	-179.7	0	0	0	110	E649 L672 A675 F676 N679 S682 E683 L687 A688 A689	E649-I685 HydrophobicContact CG-CD1 4.38Å; L672-I685 HydrophobicContact CD2-CG2 4Å; A675-I685 HydrophobicContact CB-CD1 4.13Å; A675-I685 HydrophobicContact CB-CG2 4.02Å; F676-I685 HydrophobicContact CD1-CG2 3.96Å; F676-I685 HydrophobicContact CE1-CB 4.32Å; F676-I685 HydrophobicContact CE1-CG2 3.68Å; F676-I685 HydrophobicContact CZ-CG2 4.12Å; N679-I685 HydrophobicContact CB-CD1 4.02Å; S682-I685 PolarHBondContact O-N 2.97Å; E683-I685 VanDerWaalsContact C-N 3.29Å; E683-I685 PolarHBondContact O-N 3.34Å; I685-L687 VanDerWaalsContact C-N 3.32Å; I685-L687 PolarHBondContact O-N 2.99Å; I685-A688 PolarHBondContact O-N 2.99Å; I685-A689 WeakPolarHBondContact O-CB 3.33Å; I685-A689 PolarHBondContact O-N 3.17Å
686	W	82.9	Confident	79.9	Confident	14 Å²	14	41.6 Å²	41.6	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-56.5	-46.6	172.7	-74.7	107.9	0	0	0	111.6	F676 P680 S682 E683 A688 A689 V690 L705 K708 A709	F676-W686 HydrophobicContact CD1-CD2 4.32Å; F676-W686 AromaticContact CD1-CE2 3.97Å; F676-W686 HydrophobicContact CD1-CH2 4.35Å; F676-W686 AromaticContact CD1-CZ2 4Å; F676-W686 HydrophobicContact CD1-CZ2 4Å; F676-W686 AromaticContact CE1-CD2 3.44Å; F676-W686 HydrophobicContact CE1-CD2 3.44Å; F676-W686 VanDerWaalsContact CE1-CD2 3.44Å; F676-W686 AromaticContact CE1-CE2 3.56Å; F676-W686 AromaticContact CE1-CE3 3.69Å; F676-W686 HydrophobicContact CE1-CE3 3.69Å; F676-W686 AromaticContact CE1-CG 3.88Å; F676-W686 HydrophobicContact CE1-CG 3.88Å; F676-W686 HydrophobicContact CE1-CH2 4.09Å; F676-W686 AromaticContact CE1-CZ2 3.89Å; F676-W686 HydrophobicContact CE1-CZ2 3.89Å; F676-W686 HydrophobicContact CE1-CZ3 4.01Å; F676-W686 AromaticContact CZ-CD2 3.96Å; F676-W686 HydrophobicContact CZ-CD2 3.96Å; F676-W686 AromaticContact CZ-CE3 3.71Å; F676-W686 HydrophobicContact CZ-CE3 3.71Å; F676-W686 HydrophobicContact CZ-CH2 4.35Å; F676-W686 AromaticContact CZ-CZ3 3.92Å; F676-W686 HydrophobicContact CZ-CZ3 3.92Å; P680-W686 PolarHBondContact O-NE1 3.42Å; S682-W686 VanDerWaalsContact O-CD1 3.29Å; S682-W686 PolarHBondContact O-N 3.07Å; E683-W686 PolarHBondContact O-N 3.38Å; W686-A688 VanDerWaalsContact C-N 3.33Å; W686-A688 PolarHBondContact O-N 2.8Å; W686-A689 PolarHBondContact O-N 2.9Å; W686-V690 VanDerWaalsContact O-CG2 3.26Å; W686-V690 WeakPolarHBondContact O-CG2 3.5Å; W686-V690 PolarHBondContact O-N 3.41Å; W686-L705 HydrophobicContact CZ3-CD2 3.91Å; W686-K708 HydrophobicContact CH2-CB 4.33Å; W686-K708 HydrophobicContact CH2-CD 3.86Å; W686-K708 HydrophobicContact CH2-CG 3.85Å; W686-K708 HydrophobicContact CZ3-CB 4.34Å; W686-K708 HydrophobicContact CZ3-CD 4.48Å; W686-K708 HydrophobicContact CZ3-CG 4.35Å; W686-A709 HydrophobicContact CB-CB 4.02Å; W686-A709 HydrophobicContact CD2-CB 3.94Å; W686-A709 HydrophobicContact CE3-CB 3.96Å; W686-A709 HydrophobicContact CG-CB 3.97Å
687	L	82.6	Confident	79.8	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-31.6	179.2	-68.9	-179.3	0	0	0	113.6	E683 E684 I685 K691 R717 V718 K721	E683-L687 VanDerWaalsContact O-CG 3.31Å; E683-L687 WeakPolarHBondContact O-CG 3.31Å; E683-L687 PolarHBondContact O-N 3.4Å; E684-L687 PolarHBondContact O-N 3.37Å; I685-L687 VanDerWaalsContact C-N 3.32Å; I685-L687 PolarHBondContact O-N 2.99Å; L687-K691 WeakPolarHBondContact O-CB 3.15Å; L687-K691 PolarHBondContact O-N 2.91Å; L687-R717 HydrophobicContact CD1-CB 4.35Å; L687-R717 HydrophobicContact CD1-CG 3.61Å; L687-V718 HydrophobicContact CD2-CG2 4.18Å; L687-V718 HydrophobicContact CG-CG2 4.43Å; L687-K721 HydrophobicContact CD2-CB 3.72Å; L687-K721 HydrophobicContact CD2-CG 3.69Å
688	A	81.1	Confident	79.9	Confident	28 Å²	28	42.2 Å²	42.2	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-75.6	-39.6	175.7	0	0	0	0	0	112.6	L653 E684 I685 W686 K691 L692	L653-A688 HydrophobicContact CD2-CB 3.26Å; E684-A688 VanDerWaalsContact O-CB 3.31Å; E684-A688 WeakPolarHBondContact O-CB 3.29Å; E684-A688 PolarHBondContact O-N 3.29Å; I685-A688 PolarHBondContact O-N 2.99Å; W686-A688 VanDerWaalsContact C-N 3.33Å; W686-A688 PolarHBondContact O-N 2.8Å; A688-K691 WeakPolarHBondContact O-CB 3.43Å; A688-K691 PolarHBondContact O-N 3.35Å; A688-L692 WeakPolarHBondContact O-CB 3.48Å; A688-L692 PolarHBondContact O-N 2.81Å
689	A	81.6	Confident	80	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-46	172.1	0	0	0	0	0	111.3	L672 F676 I685 W686 K691 L692 E693	L672-A689 HydrophobicContact CD1-CB 4.18Å; F676-A689 HydrophobicContact CE2-CB 4.08Å; F676-A689 HydrophobicContact CZ-CB 3.74Å; I685-A689 WeakPolarHBondContact O-CB 3.33Å; I685-A689 PolarHBondContact O-N 3.17Å; W686-A689 PolarHBondContact O-N 2.9Å; A689-K691 VanDerWaalsContact C-N 3.32Å; A689-K691 PolarHBondContact O-N 3.32Å; A689-L692 PolarHBondContact O-N 3.48Å; A689-E693 WeakPolarHBondContact O-CG 3.43Å; A689-E693 PolarHBondContact O-N 2.88Å
690	V	83.9	Confident	80.2	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.036	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-39.5	174.6	172.2	0	0	0	0	111.5	W686 S694 L705 L706 L725	W686-V690 VanDerWaalsContact O-CG2 3.26Å; W686-V690 WeakPolarHBondContact O-CG2 3.5Å; W686-V690 PolarHBondContact O-N 3.41Å; V690-S694 VanDerWaalsContact O-CB 3.22Å; V690-S694 WeakPolarHBondContact O-CB 3.49Å; V690-S694 PolarHBondContact O-N 2.96Å; V690-S694 PolarHBondContact O-OG 3.27Å; V690-S694 VanDerWaalsContact O-OG 3.13Å; V690-L705 HydrophobicContact CG2-CB 4.14Å; V690-L706 HydrophobicContact CB-CD2 4.45Å; V690-L706 HydrophobicContact CB-CG 4.4Å; V690-L706 HydrophobicContact CG1-CD1 3.85Å; V690-L706 HydrophobicContact CG1-CD2 3.98Å; V690-L706 HydrophobicContact CG1-CG 3.8Å; V690-L706 HydrophobicContact CG2-CD2 3.86Å; V690-L706 HydrophobicContact CG2-CG 3.67Å; V690-L725 HydrophobicContact CG1-CD1 4.42Å
691	K	83.7	Confident	80.6	Confident	76 Å²	76	49.9 Å²	49.9	33%	0.33	24%	0.243	S	C	.	.	H	α-helix	trans	-58.1	-53.6	173.9	-173.4	-169.3	165.4	-172.1	0	110.4	L687 A688 A689 E693 S694 E695	L687-K691 WeakPolarHBondContact O-CB 3.15Å; L687-K691 PolarHBondContact O-N 2.91Å; A688-K691 WeakPolarHBondContact O-CB 3.43Å; A688-K691 PolarHBondContact O-N 3.35Å; A689-K691 VanDerWaalsContact C-N 3.32Å; A689-K691 PolarHBondContact O-N 3.32Å; K691-E693 PolarHBondContact O-N 3.18Å; K691-S694 WeakPolarHBondContact CA-OG 3.2Å; K691-S694 PolarHBondContact O-N 3.16Å; K691-S694 VanDerWaalsContact O-N 3.15Å; K691-S694 PolarHBondContact O-OG 2.74Å; K691-E695 WeakPolarHBondContact CE-OE1 3.47Å; K691-E695 WeakPolarHBondContact CE-OE2 3.36Å; K691-E695 WeakPolarHBondContact CG-OE2 3.15Å; K691-E695 IonicContact NZ-OE1 3.47Å; K691-E695 PolarHBondContact NZ-OE1 2.93Å; K691-E695 IonicContact NZ-OE2 3.46Å; K691-E695 WeakPolarHBondContact O-CG 2.99Å; K691-E695 PolarHBondContact O-N 3.49Å
692	L	82.5	Confident	81.2	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-45.9	-178.5	-178.8	149.8	0	0	0	112.1	W660 V665 A668 R669 L672 A688 A689 E695 N696	W660-L692 HydrophobicContact CB-CD1 4.38Å; W660-L692 HydrophobicContact CG-CD1 4.43Å; V665-L692 HydrophobicContact CG1-CD2 3.86Å; A668-L692 HydrophobicContact CB-CD1 3.66Å; R669-L692 HydrophobicContact CG-CD2 3.76Å; L672-L692 HydrophobicContact CD1-CD1 4.12Å; A688-L692 WeakPolarHBondContact O-CB 3.48Å; A688-L692 PolarHBondContact O-N 2.81Å; A689-L692 PolarHBondContact O-N 3.48Å; L692-E695 PolarHBondContact O-N 3.38Å; L692-N696 PolarHBondContact O-N 3.27Å; L692-N696 PolarHBondContact O-ND2 2.94Å
693	E	82.5	Confident	81.8	Confident	7 Å²	7	47.4 Å²	47.4	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-36.6	177.2	-60.5	-61.7	175.8	0	0	111.9	R669 A689 K691 E695 N696 N697 E698 R701 A702 L705	R669-E693 IonicContact CZ-OE1 3.78Å; R669-E693 IonicContact CZ-OE2 3.53Å; R669-E693 IonicContact NE-OE1 2.75Å; R669-E693 PolarHBondContact NE-OE1 3.24Å; R669-E693 IonicContact NE-OE2 2.74Å; R669-E693 PolarHBondContact NE-OE2 2.8Å; R669-E693 IonicContact NH2-OE1 3.61Å; R669-E693 IonicContact NH2-OE2 3.56Å; R669-E693 PolarHBondContact NH2-OE2 3.06Å; A689-E693 WeakPolarHBondContact O-CG 3.43Å; A689-E693 PolarHBondContact O-N 2.88Å; K691-E693 PolarHBondContact O-N 3.18Å; E693-E695 VanDerWaalsContact C-N 3.3Å; E693-E695 PolarHBondContact O-N 3.47Å; E693-N696 PolarHBondContact O-N 3.13Å; E693-N697 PolarHBondContact O-N 3.38Å; E693-E698 HydrophobicContact CB-CB 4.48Å; E693-E698 PolarHBondContact O-N 2.78Å; E693-E698 VanDerWaalsContact O-N 3.13Å; E693-R701 IonicContact OE1-CZ 3.53Å; E693-R701 IonicContact OE1-NE 3.92Å; E693-A702 HydrophobicContact CB-CB 3.96Å; E693-L705 HydrophobicContact CG-CD1 3.88Å
694	S	80.8	Confident	82.3	Confident	18 Å²	18	53 Å²	53	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-20.6	177.7	73.6	0	0	0	0	115	V690 K691 Q964	V690-S694 VanDerWaalsContact O-CB 3.22Å; V690-S694 WeakPolarHBondContact O-CB 3.49Å; V690-S694 PolarHBondContact O-N 2.96Å; V690-S694 PolarHBondContact O-OG 3.27Å; V690-S694 VanDerWaalsContact O-OG 3.13Å; K691-S694 WeakPolarHBondContact CA-OG 3.2Å; K691-S694 PolarHBondContact O-N 3.16Å; K691-S694 VanDerWaalsContact O-N 3.15Å; K691-S694 PolarHBondContact O-OG 2.74Å; S694-Q964 PolarHBondContact O-NE2 3.26Å
695	E	78.7	Confident	82.5	Confident	53 Å²	53	51.5 Å²	51.5	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-89.6	-13.8	175	-72.6	169.8	138.9	0	0	112.4	W660 K691 L692 E693	W660-E695 VanDerWaalsContact CH2-CD 3.5Å; W660-E695 VanDerWaalsContact CH2-OE1 3.32Å; W660-E695 WeakPolarHBondContact CH2-OE1 3.39Å; W660-E695 VanDerWaalsContact CH2-OE2 3.25Å; W660-E695 WeakPolarHBondContact CH2-OE2 3.31Å; W660-E695 HydrophobicContact CZ2-CB 4.16Å; W660-E695 HydrophobicContact CZ2-CG 4.3Å; W660-E695 WeakPolarHBondContact CZ2-OE2 2.8Å; K691-E695 WeakPolarHBondContact CE-OE1 3.47Å; K691-E695 WeakPolarHBondContact CE-OE2 3.36Å; K691-E695 WeakPolarHBondContact CG-OE2 3.15Å; K691-E695 IonicContact NZ-OE1 3.47Å; K691-E695 PolarHBondContact NZ-OE1 2.93Å; K691-E695 IonicContact NZ-OE2 3.46Å; K691-E695 WeakPolarHBondContact O-CG 2.99Å; K691-E695 PolarHBondContact O-N 3.49Å; L692-E695 PolarHBondContact O-N 3.38Å; E693-E695 VanDerWaalsContact C-N 3.3Å; E693-E695 PolarHBondContact O-N 3.47Å
696	N	81.2	Confident	82.4	Confident	53 Å²	53	51.7 Å²	51.7	28%	0.283	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13.8	176.9	-69.4	-64.4	0	0	0	113	V665 L692 E693 E698	V665-N696 VanDerWaalsContact CG1-ND2 3.29Å; V665-N696 WeakPolarHBondContact CG1-ND2 3.38Å; L692-N696 PolarHBondContact O-N 3.27Å; L692-N696 PolarHBondContact O-ND2 2.94Å; E693-N696 PolarHBondContact O-N 3.13Å; N696-E698 PolarHBondContact O-N 3.29Å
697	N	79.3	Confident	82.5	Confident	112 Å²	112	53.8 Å²	53.8	60%	0.599	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	11.4	-177.6	-59.6	-52.9	0	0	0	116.6	E693 Y699	E693-N697 PolarHBondContact O-N 3.38Å; N697-Y699 VanDerWaalsContact CA-CE2 3.46Å; N697-Y699 HydrophobicContact CB-CD2 4.47Å; N697-Y699 HydrophobicContact CB-CE2 3.79Å; N697-Y699 WeakPolarHBondContact O-CD2 3.5Å; N697-Y699 WeakPolarHBondContact O-CE2 3.38Å; N697-Y699 PolarHBondContact O-N 3.41Å; N697-Y699 PolarHBondContact OD1-OH 3.15Å
698	E	84.6	Confident	82.5	Confident	100 Å²	100	59.4 Å²	59.4	47%	0.467	28%	0.281	S	S	.	.			trans	-85.8	56.7	-179.7	-74.2	-69.1	177.3	0	0	111.8	E693 N696 E700 R701 A702	E693-E698 HydrophobicContact CB-CB 4.48Å; E693-E698 PolarHBondContact O-N 2.78Å; E693-E698 VanDerWaalsContact O-N 3.13Å; N696-E698 PolarHBondContact O-N 3.29Å; E698-E700 PolarHBondContact O-N 2.91Å; E698-R701 HydrophobicContact CB-CB 4.44Å; E698-R701 PolarHBondContact O-N 3.15Å; E698-A702 PolarHBondContact O-N 2.92Å
699	Y	82.1	Confident	82.6	Confident	42 Å²	42	58 Å²	58	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-33.2	-168.7	-59.6	-71.5	0	0	0	114.2	N697 A702 R703 L729 Q964	N697-Y699 VanDerWaalsContact CA-CE2 3.46Å; N697-Y699 HydrophobicContact CB-CD2 4.47Å; N697-Y699 HydrophobicContact CB-CE2 3.79Å; N697-Y699 WeakPolarHBondContact O-CD2 3.5Å; N697-Y699 WeakPolarHBondContact O-CE2 3.38Å; N697-Y699 PolarHBondContact O-N 3.41Å; N697-Y699 PolarHBondContact OD1-OH 3.15Å; Y699-A702 WeakPolarHBondContact O-CB 3.45Å; Y699-A702 PolarHBondContact O-N 3.41Å; Y699-R703 WeakPolarHBondContact O-CG 3.21Å; Y699-R703 PolarHBondContact O-N 3.25Å; Y699-L729 HydrophobicContact CD1-CD1 4.31Å; Y699-L729 HydrophobicContact CD1-CD2 3.87Å; Y699-L729 HydrophobicContact CD1-CG 4.36Å; Y699-L729 HydrophobicContact CD2-CD2 3.78Å; Y699-L729 HydrophobicContact CE1-CD2 4.18Å; Y699-L729 HydrophobicContact CE2-CD2 4.09Å; Y699-L729 HydrophobicContact CG-CD1 4.21Å; Y699-L729 HydrophobicContact CG-CD2 3.67Å; Y699-L729 HydrophobicContact CG-CG 4.43Å; Y699-Q964 PolarHBondContact OH-NE2 2.82Å
700	E	83.6	Confident	82.5	Confident	121 Å²	121	61.3 Å²	61.3	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-40.6	176	-67.3	-166.6	-169.6	0	0	112.4	E698 A702 R703 R704	E698-E700 PolarHBondContact O-N 2.91Å; E700-A702 VanDerWaalsContact C-N 3.34Å; E700-R703 WeakPolarHBondContact O-CB 3.24Å; E700-R703 PolarHBondContact O-N 3.44Å; E700-R704 WeakPolarHBondContact O-CG 3.45Å; E700-R704 PolarHBondContact O-N 3.05Å; E700-R704 IonicContact OE2-NH2 3.28Å; E700-R704 PolarHBondContact OE2-NH2 3.44Å
701	R	82.4	Confident	82.4	Confident	132 Å²	132	65.8 Å²	65.8	50%	0.498	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-41.7	175.1	-170.1	176	-176.7	161	2	110.3	E693 E698 R703 R704 L705	E693-R701 IonicContact OE1-CZ 3.53Å; E693-R701 IonicContact OE1-NE 3.92Å; E698-R701 HydrophobicContact CB-CB 4.44Å; E698-R701 PolarHBondContact O-N 3.15Å; R701-R703 PolarHBondContact O-N 2.78Å; R701-R704 PolarHBondContact O-N 3.44Å; R701-L705 HydrophobicContact CG-CD1 4.27Å; R701-L705 WeakPolarHBondContact O-CB 3.4Å; R701-L705 VanDerWaalsContact O-CG 3.3Å; R701-L705 WeakPolarHBondContact O-CG 3.49Å; R701-L705 PolarHBondContact O-N 3.07Å
702	A	82.7	Confident	82	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-41	173.4	0	0	0	0	0	112.5	E693 E698 Y699 E700 L705 L706 L725	E693-A702 HydrophobicContact CB-CB 3.96Å; E698-A702 PolarHBondContact O-N 2.92Å; Y699-A702 WeakPolarHBondContact O-CB 3.45Å; Y699-A702 PolarHBondContact O-N 3.41Å; E700-A702 VanDerWaalsContact C-N 3.34Å; A702-L705 PolarHBondContact O-N 3.22Å; A702-L706 WeakPolarHBondContact O-CB 3.28Å; A702-L706 WeakPolarHBondContact O-CG 3.48Å; A702-L706 PolarHBondContact O-N 3.45Å; A702-L725 HydrophobicContact CB-CD1 3.57Å
703	R	83.6	Confident	81.3	Confident	84 Å²	84	65 Å²	65	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-48.7	172.3	-77.5	174.4	170.9	153.6	0.6	112.2	Y699 E700 R701 L705 L706 A707 L725 E726 L729 N731	Y699-R703 WeakPolarHBondContact O-CG 3.21Å; Y699-R703 PolarHBondContact O-N 3.25Å; E700-R703 WeakPolarHBondContact O-CB 3.24Å; E700-R703 PolarHBondContact O-N 3.44Å; R701-R703 PolarHBondContact O-N 2.78Å; R703-L705 VanDerWaalsContact C-N 3.34Å; R703-L705 PolarHBondContact O-N 3.14Å; R703-L706 PolarHBondContact O-N 2.82Å; R703-A707 WeakPolarHBondContact O-CB 3.33Å; R703-A707 PolarHBondContact O-N 3.28Å; R703-L725 HydrophobicContact CG-CD2 3.66Å; R703-E726 WeakPolarHBondContact CG-OE1 3.44Å; R703-E726 IonicContact CZ-OE1 3.34Å; R703-E726 IonicContact CZ-OE2 3.51Å; R703-E726 IonicContact NE-OE1 3.89Å; R703-E726 PolarHBondContact NE-OE1 3.44Å; R703-E726 IonicContact NE-OE2 3.85Å; R703-E726 PolarHBondContact NE-OE2 3.05Å; R703-E726 IonicContact NH2-OE1 2.61Å; R703-E726 IonicContact NH2-OE2 3.78Å; R703-E726 PolarHBondContact NH2-OE2 3.02Å; R703-L729 VanDerWaalsContact NH2-CD1 3.34Å; R703-N731 PolarHBondContact NH2-ND2 3.32Å
704	R	85.4	Confident	80.8	Confident	176 Å²	176	67.7 Å²	67.7	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-63.3	-39.6	178.5	-66.1	176.8	-158.2	178.1	10.9	111.7	E700 R701 A707 K708	E700-R704 WeakPolarHBondContact O-CG 3.45Å; E700-R704 PolarHBondContact O-N 3.05Å; E700-R704 IonicContact OE2-NH2 3.28Å; E700-R704 PolarHBondContact OE2-NH2 3.44Å; R701-R704 PolarHBondContact O-N 3.44Å; R704-A707 PolarHBondContact O-N 3.26Å; R704-K708 PolarHBondContact O-N 2.69Å
705	L	83.6	Confident	80.7	Confident	33 Å²	33	68.7 Å²	68.7	17%	0.173	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-41.3	173.6	-71.3	169.5	0	0	0	112	W686 V690 E693 R701 A702 R703 K708 A709	W686-L705 HydrophobicContact CZ3-CD2 3.91Å; V690-L705 HydrophobicContact CG2-CB 4.14Å; E693-L705 HydrophobicContact CG-CD1 3.88Å; R701-L705 HydrophobicContact CG-CD1 4.27Å; R701-L705 WeakPolarHBondContact O-CB 3.4Å; R701-L705 VanDerWaalsContact O-CG 3.3Å; R701-L705 WeakPolarHBondContact O-CG 3.49Å; R701-L705 PolarHBondContact O-N 3.07Å; A702-L705 PolarHBondContact O-N 3.22Å; R703-L705 VanDerWaalsContact C-N 3.34Å; R703-L705 PolarHBondContact O-N 3.14Å; L705-K708 PolarHBondContact O-N 2.93Å; L705-A709 WeakPolarHBondContact O-CB 3.47Å; L705-A709 PolarHBondContact O-N 2.97Å
706	L	82.2	Confident	80.7	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-40	174.5	-81	165.3	0	0	0	112.9	V690 A702 R703 K708 A709 R710 V718 K721 L725	V690-L706 HydrophobicContact CB-CD2 4.45Å; V690-L706 HydrophobicContact CB-CG 4.4Å; V690-L706 HydrophobicContact CG1-CD1 3.85Å; V690-L706 HydrophobicContact CG1-CD2 3.98Å; V690-L706 HydrophobicContact CG1-CG 3.8Å; V690-L706 HydrophobicContact CG2-CD2 3.86Å; V690-L706 HydrophobicContact CG2-CG 3.67Å; A702-L706 WeakPolarHBondContact O-CB 3.28Å; A702-L706 WeakPolarHBondContact O-CG 3.48Å; A702-L706 PolarHBondContact O-N 3.45Å; R703-L706 PolarHBondContact O-N 2.82Å; L706-K708 VanDerWaalsContact C-N 3.31Å; L706-K708 PolarHBondContact O-N 3.37Å; L706-A709 PolarHBondContact O-N 3.4Å; L706-R710 WeakPolarHBondContact O-CG 3.47Å; L706-R710 PolarHBondContact O-N 2.69Å; L706-V718 HydrophobicContact CD2-CG1 4.29Å; L706-K721 HydrophobicContact CD2-CB 4.49Å; L706-L725 HydrophobicContact CD1-CB 4.05Å; L706-L725 HydrophobicContact CD1-CD1 3.9Å; L706-L725 HydrophobicContact CD1-CG 4.38Å
707	A	84.3	Confident	80.7	Confident	59 Å²	59	69.2 Å²	69.2	49%	0.488	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-41.2	174.6	0	0	0	0	0	111.2	R703 R704 R710 S711	R703-A707 WeakPolarHBondContact O-CB 3.33Å; R703-A707 PolarHBondContact O-N 3.28Å; R704-A707 PolarHBondContact O-N 3.26Å; A707-R710 PolarHBondContact O-N 3.13Å; A707-S711 PolarHBondContact O-N 3.06Å
708	K	83.6	Confident	81	Confident	130 Å²	130	63.9 Å²	63.9	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-69.3	-35.1	173.5	-169.2	168.2	179.7	177.7	0	112.9	W686 R704 L705 L706 S711 S712	W686-K708 HydrophobicContact CH2-CB 4.33Å; W686-K708 HydrophobicContact CH2-CD 3.86Å; W686-K708 HydrophobicContact CH2-CG 3.85Å; W686-K708 HydrophobicContact CZ3-CB 4.34Å; W686-K708 HydrophobicContact CZ3-CD 4.48Å; W686-K708 HydrophobicContact CZ3-CG 4.35Å; R704-K708 PolarHBondContact O-N 2.69Å; L705-K708 PolarHBondContact O-N 2.93Å; L706-K708 VanDerWaalsContact C-N 3.31Å; L706-K708 PolarHBondContact O-N 3.37Å; K708-S711 PolarHBondContact O-N 3.02Å; K708-S711 PolarHBondContact O-OG 2.78Å; K708-S711 VanDerWaalsContact O-OG 3.11Å; K708-S712 WeakPolarHBondContact O-CB 3.42Å; K708-S712 PolarHBondContact O-N 3Å
709	A	81.8	Confident	81	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-38.9	173.1	0	0	0	0	0	111.7	W686 L705 L706 S711 S712 A713 V718	W686-A709 HydrophobicContact CB-CB 4.02Å; W686-A709 HydrophobicContact CD2-CB 3.94Å; W686-A709 HydrophobicContact CE3-CB 3.96Å; W686-A709 HydrophobicContact CG-CB 3.97Å; L705-A709 WeakPolarHBondContact O-CB 3.47Å; L705-A709 PolarHBondContact O-N 2.97Å; L706-A709 PolarHBondContact O-N 3.4Å; A709-S711 VanDerWaalsContact C-N 3.3Å; A709-S711 PolarHBondContact O-N 2.88Å; A709-S712 PolarHBondContact O-N 3.3Å; A709-A713 CarbonylContact O-C 3.48Å; A709-A713 WeakPolarHBondContact O-CA 3.12Å; A709-A713 PolarHBondContact O-N 3.48Å; A709-V718 HydrophobicContact CB-CG1 3.69Å
710	R	79.9	Confident	81.2	Confident	74 Å²	74	58.4 Å²	58.4	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-35.2	174.4	-77.7	178	66.1	179.7	6.3	112.9	L706 A707 P714 F719 E741	L706-R710 WeakPolarHBondContact O-CG 3.47Å; L706-R710 PolarHBondContact O-N 2.69Å; A707-R710 PolarHBondContact O-N 3.13Å; R710-P714 WeakPolarHBondContact O-CB 3.43Å; R710-F719 HydrophobicContact CG-CE1 4.26Å; R710-F719 HydrophobicContact CG-CZ 4.23Å; R710-F719 VanDerWaalsContact NE-CE1 3.33Å; R710-E741 IonicContact CZ-OE2 3.93Å; R710-E741 IonicContact NH1-OE2 2.73Å; R710-E741 IonicContact NH2-OE2 2.69Å; R710-E741 PolarHBondContact NH2-OE2 3.26Å
711	S	81.6	Confident	81.2	Confident	99 Å²	99	55 Å²	55	69%	0.692	27%	0.269	S	S	*	.	H	α-helix	trans	-86.3	-33.1	177.3	58.4	0	0	0	0	113.6	A707 K708 A709	A707-S711 PolarHBondContact O-N 3.06Å; K708-S711 PolarHBondContact O-N 3.02Å; K708-S711 PolarHBondContact O-OG 2.78Å; K708-S711 VanDerWaalsContact O-OG 3.11Å; A709-S711 VanDerWaalsContact C-N 3.3Å; A709-S711 PolarHBondContact O-N 2.88Å
712	S	75.4	Confident	81.2	Confident	56 Å²	56	49 Å²	49	39%	0.392	25%	0.248	S	C	.	.	H	α-helix	trans	-86	-34.6	-176.4	-164.6	0	0	0	0	114.2	K708 A709	K708-S712 WeakPolarHBondContact O-CB 3.42Å; K708-S712 PolarHBondContact O-N 3Å; A709-S712 PolarHBondContact O-N 3.3Å
713	A	68.5	Low	81.4	Confident	12 Å²	12	49 Å²	49	10%	0.099	25%	0.248	C	C	.	.	S	Bend	trans	-150.1	70.6	-178.1	0	0	0	0	0	110.1	E683 A709 T715	E683-A713 HydrophobicContact CG-CB 4.42Å; A709-A713 CarbonylContact O-C 3.48Å; A709-A713 WeakPolarHBondContact O-CA 3.12Å; A709-A713 PolarHBondContact O-N 3.48Å; A713-T715 PolarHBondContact O-N 2.69Å
714	P	70.9	Confident	81.3	Confident	63 Å²	63	46.1 Å²	46.1	41%	0.409	24%	0.238	S	C	.	.			trans	-65.3	106.8	174.8	26.4	-32.5	0	0	0	110	R710 F719 Y746	R710-P714 WeakPolarHBondContact O-CB 3.43Å; P714-F719 HydrophobicContact CB-CE2 4.04Å; P714-Y746 VanDerWaalsContact C-OH 3.28Å; P714-Y746 PolarHBondContact O-OH 3.32Å
715	T	80.3	Confident	81.3	Confident	40 Å²	40	38.3 Å²	38.3	25%	0.245	21%	0.209	C	C	.	.			trans	-135.1	146	170.4	-61.6	0	0	0	0	109.5	E683 A713 R717 V718 F719	E683-T715 VanDerWaalsContact CD-CB 3.48Å; E683-T715 VanDerWaalsContact OE1-CB 3.29Å; E683-T715 WeakPolarHBondContact OE1-CB 3.46Å; E683-T715 WeakPolarHBondContact OE1-CG2 3.41Å; E683-T715 PolarHBondContact OE1-OG1 3.05Å; E683-T715 WeakPolarHBondContact OE2-CG2 3.43Å; A713-T715 PolarHBondContact O-N 2.69Å; T715-R717 HydrophobicContact CG2-CB 4.44Å; T715-R717 PolarHBondContact O-N 3.44Å; T715-V718 WeakPolarHBondContact O-CA 3.49Å; T715-V718 WeakPolarHBondContact O-CB 3.44Å; T715-V718 PolarHBondContact O-N 3.02Å; T715-F719 PolarHBondContact O-N 2.9Å
716	A	78.5	Confident	81.3	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-51.3	-28.5	-178.8	0	0	0	0	0	113.9	M720 Y746 F749	A716-M720 WeakPolarHBondContact O-CB 3.37Å; A716-M720 PolarHBondContact O-N 2.83Å; A716-Y746 HydrophobicContact CB-CD1 4.05Å; A716-Y746 HydrophobicContact CB-CD2 4.22Å; A716-Y746 HydrophobicContact CB-CG 3.77Å; A716-F749 HydrophobicContact CB-CB 3.93Å; A716-F749 HydrophobicContact CB-CD1 3.87Å; A716-F749 HydrophobicContact CB-CD2 4.06Å; A716-F749 HydrophobicContact CB-CE1 4.28Å; A716-F749 HydrophobicContact CB-CG 3.7Å
717	R	81.8	Confident	81.4	Confident	109 Å²	109	38.2 Å²	38.2	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-71.4	-32	175.7	-165.5	-177.8	168.9	-173.6	-9.1	113.4	E684 L687 T715 K721	E684-R717 IonicContact OE1-CZ 2.96Å; E684-R717 VanDerWaalsContact OE1-CZ 3.25Å; E684-R717 IonicContact OE1-NH1 3.34Å; E684-R717 PolarHBondContact OE1-NH1 2.86Å; E684-R717 IonicContact OE1-NH2 3.53Å; E684-R717 PolarHBondContact OE1-NH2 2.9Å; L687-R717 HydrophobicContact CD1-CB 4.35Å; L687-R717 HydrophobicContact CD1-CG 3.61Å; T715-R717 HydrophobicContact CG2-CB 4.44Å; T715-R717 PolarHBondContact O-N 3.44Å; R717-K721 WeakPolarHBondContact O-CG 3.36Å; R717-K721 PolarHBondContact O-N 3.4Å
718	V	85.3	Confident	81.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-72.4	-49.2	173	179	0	0	0	0	109.8	L687 L706 A709 T715 M720 K721 S722	L687-V718 HydrophobicContact CD2-CG2 4.18Å; L687-V718 HydrophobicContact CG-CG2 4.43Å; L706-V718 HydrophobicContact CD2-CG1 4.29Å; A709-V718 HydrophobicContact CB-CG1 3.69Å; T715-V718 WeakPolarHBondContact O-CA 3.49Å; T715-V718 WeakPolarHBondContact O-CB 3.44Å; T715-V718 PolarHBondContact O-N 3.02Å; V718-M720 VanDerWaalsContact C-N 3.3Å; V718-M720 PolarHBondContact O-N 3.36Å; V718-K721 WeakPolarHBondContact O-CA 3.49Å; V718-K721 WeakPolarHBondContact O-CB 3.38Å; V718-K721 PolarHBondContact O-N 3.19Å; V718-S722 PolarHBondContact O-N 3.48Å
719	F	83.1	Confident	81	Confident	7 Å²	7	33.8 Å²	33.8	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-39.7	173.7	-81.7	-86.4	0	0	0	112.7	R710 P714 T715 K721 S722 V723 A742 Y746	R710-F719 HydrophobicContact CG-CE1 4.26Å; R710-F719 HydrophobicContact CG-CZ 4.23Å; R710-F719 VanDerWaalsContact NE-CE1 3.33Å; P714-F719 HydrophobicContact CB-CE2 4.04Å; T715-F719 PolarHBondContact O-N 2.9Å; F719-K721 PolarHBondContact O-N 3.48Å; F719-S722 WeakPolarHBondContact CA-OG 3.34Å; F719-S722 PolarHBondContact O-N 3.12Å; F719-S722 PolarHBondContact O-OG 3.31Å; F719-V723 WeakPolarHBondContact O-CB 3.44Å; F719-V723 WeakPolarHBondContact O-CG2 3.48Å; F719-V723 PolarHBondContact O-N 2.88Å; F719-A742 HydrophobicContact CB-CB 3.67Å; F719-A742 HydrophobicContact CD1-CB 3.57Å; F719-A742 HydrophobicContact CE1-CB 4.4Å; F719-A742 HydrophobicContact CG-CB 3.84Å; F719-Y746 HydrophobicContact CD2-CD2 4.28Å; F719-Y746 AromaticContact CD2-CE2 3.85Å; F719-Y746 HydrophobicContact CD2-CE2 3.85Å; F719-Y746 AromaticContact CE2-CE2 3.82Å; F719-Y746 HydrophobicContact CE2-CE2 3.82Å
720	M	86.2	Confident	80.9	Confident	21 Å²	21	36.1 Å²	36.1	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-36.4	172	161.3	176.7	-176.9	0	0	112.5	A716 V718 K724 F749 K751 L752 M755	A716-M720 WeakPolarHBondContact O-CB 3.37Å; A716-M720 PolarHBondContact O-N 2.83Å; V718-M720 VanDerWaalsContact C-N 3.3Å; V718-M720 PolarHBondContact O-N 3.36Å; M720-K724 HydrophobicContact CE-CD 4.04Å; M720-K724 HydrophobicContact CG-CD 4.34Å; M720-K724 WeakPolarHBondContact O-CB 3.3Å; M720-K724 WeakPolarHBondContact O-CG 3.18Å; M720-K724 PolarHBondContact O-N 3.13Å; M720-K724 VanDerWaalsContact O-N 3.14Å; M720-F749 HydrophobicContact SD-CE1 4.36Å; M720-K751 HydrophobicContact CE-CD 3.77Å; M720-K751 HydrophobicContact CE-CG 4.23Å; M720-K751 HydrophobicContact SD-CD 3.87Å; M720-K751 HydrophobicContact SD-CG 4.23Å; M720-L752 HydrophobicContact CB-CD1 3.79Å; M720-M755 HydrophobicContact CB-CE 3.78Å; M720-M755 HydrophobicContact CE-SD 4.42Å; M720-M755 HydrophobicContact CG-CE 3.68Å; M720-M755 HydrophobicContact CG-SD 3.81Å
721	K	83.6	Confident	81	Confident	49 Å²	49	36.1 Å²	36.1	21%	0.213	21%	0.212	C	C	.	.	H	α-helix	trans	-82.7	-31.4	-178.1	-80.1	-81.5	-169.8	168.5	0	112.6	L687 L706 R717 V718 F719 K724 L725	L687-K721 HydrophobicContact CD2-CB 3.72Å; L687-K721 HydrophobicContact CD2-CG 3.69Å; L706-K721 HydrophobicContact CD2-CB 4.49Å; R717-K721 WeakPolarHBondContact O-CG 3.36Å; R717-K721 PolarHBondContact O-N 3.4Å; V718-K721 WeakPolarHBondContact O-CA 3.49Å; V718-K721 WeakPolarHBondContact O-CB 3.38Å; V718-K721 PolarHBondContact O-N 3.19Å; F719-K721 PolarHBondContact O-N 3.48Å; K721-K724 PolarHBondContact O-N 2.9Å; K721-L725 PolarHBondContact O-N 3.35Å
722	S	83.4	Confident	80.8	Confident	6 Å²	6	34.2 Å²	34.2	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-44.2	169.3	57.8	0	0	0	0	112.5	V718 F719 K724 L725 E726	V718-S722 PolarHBondContact O-N 3.48Å; F719-S722 WeakPolarHBondContact CA-OG 3.34Å; F719-S722 PolarHBondContact O-N 3.12Å; F719-S722 PolarHBondContact O-OG 3.31Å; S722-K724 VanDerWaalsContact C-N 3.31Å; S722-K724 PolarHBondContact O-N 3.41Å; S722-L725 PolarHBondContact O-N 3.08Å; S722-L725 VanDerWaalsContact O-N 3.1Å; S722-E726 PolarHBondContact O-N 3.18Å; S722-E726 VanDerWaalsContact O-N 3.14Å
723	V	86.1	Confident	81.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54	-48.9	171.7	163.6	0	0	0	0	110.6	F719 L725 W727 L738 C739 M755 I759	F719-V723 WeakPolarHBondContact O-CB 3.44Å; F719-V723 WeakPolarHBondContact O-CG2 3.48Å; F719-V723 PolarHBondContact O-N 2.88Å; V723-L725 VanDerWaalsContact C-N 3.31Å; V723-L725 PolarHBondContact O-N 2.87Å; V723-W727 VanDerWaalsContact O-CB 3.22Å; V723-W727 WeakPolarHBondContact O-CB 3.41Å; V723-W727 PolarHBondContact O-N 3.28Å; V723-L738 HydrophobicContact CG2-CB 4.06Å; V723-C739 WeakPolarHBondContact CG1-SG 3.27Å; V723-C739 HydrophobicContact CG2-CB 4.46Å; V723-M755 HydrophobicContact CB-CE 4.47Å; V723-M755 HydrophobicContact CG1-CB 4.21Å; V723-M755 HydrophobicContact CG1-CE 4.17Å; V723-M755 HydrophobicContact CG1-SD 4.29Å; V723-I759 HydrophobicContact CG1-CD1 3.96Å
724	K	83.1	Confident	81.9	Confident	24 Å²	24	40.2 Å²	40.2	10%	0.104	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-33	177.5	-85.7	171.5	161.8	-82.2	0	114	M720 K721 S722 V728 M755	M720-K724 HydrophobicContact CE-CD 4.04Å; M720-K724 HydrophobicContact CG-CD 4.34Å; M720-K724 WeakPolarHBondContact O-CB 3.3Å; M720-K724 WeakPolarHBondContact O-CG 3.18Å; M720-K724 PolarHBondContact O-N 3.13Å; M720-K724 VanDerWaalsContact O-N 3.14Å; K721-K724 PolarHBondContact O-N 2.9Å; S722-K724 VanDerWaalsContact C-N 3.31Å; S722-K724 PolarHBondContact O-N 3.41Å; K724-V728 VanDerWaalsContact O-CG2 3.27Å; K724-V728 WeakPolarHBondContact O-CG2 3.36Å; K724-V728 PolarHBondContact O-N 3.27Å; K724-M755 HydrophobicContact CD-SD 4.05Å; K724-M755 HydrophobicContact CG-SD 3.81Å
725	L	83.5	Confident	82.4	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-70.6	-48.7	-179.8	-175.1	139.6	0	0	0	111.1	V690 A702 R703 L706 K721 S722 V723 W727 V728 L729	V690-L725 HydrophobicContact CG1-CD1 4.42Å; A702-L725 HydrophobicContact CB-CD1 3.57Å; R703-L725 HydrophobicContact CG-CD2 3.66Å; L706-L725 HydrophobicContact CD1-CB 4.05Å; L706-L725 HydrophobicContact CD1-CD1 3.9Å; L706-L725 HydrophobicContact CD1-CG 4.38Å; K721-L725 PolarHBondContact O-N 3.35Å; S722-L725 PolarHBondContact O-N 3.08Å; S722-L725 VanDerWaalsContact O-N 3.1Å; V723-L725 VanDerWaalsContact C-N 3.31Å; V723-L725 PolarHBondContact O-N 2.87Å; L725-W727 VanDerWaalsContact C-N 3.26Å; L725-W727 PolarHBondContact O-N 3.37Å; L725-V728 PolarHBondContact O-N 3.11Å; L725-L729 HydrophobicContact CD2-CD1 3.62Å; L725-L729 HydrophobicContact CG-CD1 4.29Å; L725-L729 WeakPolarHBondContact O-CG 3.28Å; L725-L729 PolarHBondContact O-N 2.86Å; L725-L729 VanDerWaalsContact O-N 3.16Å
726	E	83.8	Confident	82.5	Confident	20 Å²	20	37.8 Å²	37.8	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-35.9	174.3	-63.4	-49.6	134.3	0	0	111.9	R703 S722 L729 G730 N731 A735 L738	R703-E726 WeakPolarHBondContact CG-OE1 3.44Å; R703-E726 IonicContact CZ-OE1 3.34Å; R703-E726 IonicContact CZ-OE2 3.51Å; R703-E726 IonicContact NE-OE1 3.89Å; R703-E726 PolarHBondContact NE-OE1 3.44Å; R703-E726 IonicContact NE-OE2 3.85Å; R703-E726 PolarHBondContact NE-OE2 3.05Å; R703-E726 IonicContact NH2-OE1 2.61Å; R703-E726 IonicContact NH2-OE2 3.78Å; R703-E726 PolarHBondContact NH2-OE2 3.02Å; S722-E726 PolarHBondContact O-N 3.18Å; S722-E726 VanDerWaalsContact O-N 3.14Å; E726-L729 PolarHBondContact O-N 2.63Å; E726-G730 PolarHBondContact O-N 2.71Å; E726-N731 HydrophobicContact CB-CB 4.23Å; E726-N731 PolarHBondContact O-N 2.91Å; E726-N731 WeakPolarHBondContact OE2-CB 3.34Å; E726-N731 PolarHBondContact OE2-ND2 3.26Å; E726-N731 VanDerWaalsContact OE2-ND2 3.12Å; E726-A735 HydrophobicContact CB-CB 3.94Å; E726-L738 HydrophobicContact CG-CD1 3.67Å
727	W	84.3	Confident	82.9	Confident	14 Å²	14	43.7 Å²	43.7	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-39.6	177.5	-168.6	26.6	0	0	0	113.3	V723 L725 L729 G730 A735 Q758 I759 V960	V723-W727 VanDerWaalsContact O-CB 3.22Å; V723-W727 WeakPolarHBondContact O-CB 3.41Å; V723-W727 PolarHBondContact O-N 3.28Å; L725-W727 VanDerWaalsContact C-N 3.26Å; L725-W727 PolarHBondContact O-N 3.37Å; W727-L729 VanDerWaalsContact C-N 3.3Å; W727-L729 PolarHBondContact O-N 3.05Å; W727-G730 PolarHBondContact O-N 3.11Å; W727-A735 HydrophobicContact CB-CB 4.43Å; W727-Q758 HydrophobicContact CH2-CB 3.6Å; W727-Q758 HydrophobicContact CZ2-CB 3.87Å; W727-I759 HydrophobicContact CD2-CD1 4.41Å; W727-I759 HydrophobicContact CD2-CG1 3.82Å; W727-I759 HydrophobicContact CG-CD1 4.32Å; W727-I759 HydrophobicContact CG-CG1 3.9Å; W727-I759 HydrophobicContact CZ2-CG1 4.2Å; W727-V960 HydrophobicContact CD2-CG2 3.74Å; W727-V960 VanDerWaalsContact CE2-CG2 3.47Å; W727-V960 HydrophobicContact CE3-CG2 3.94Å; W727-V960 HydrophobicContact CG-CG2 4.45Å; W727-V960 HydrophobicContact CH2-CG2 3.67Å; W727-V960 HydrophobicContact CZ2-CG2 3.47Å; W727-V960 VanDerWaalsContact CZ2-CG2 3.47Å; W727-V960 HydrophobicContact CZ3-CG2 3.91Å
728	V	80.6	Confident	83	Confident	41 Å²	41	39.8 Å²	39.8	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-32.1	173.6	168.1	0	0	0	0	111.8	K724 L725 G730 V960	K724-V728 VanDerWaalsContact O-CG2 3.27Å; K724-V728 WeakPolarHBondContact O-CG2 3.36Å; K724-V728 PolarHBondContact O-N 3.27Å; L725-V728 PolarHBondContact O-N 3.11Å; V728-G730 VanDerWaalsContact C-N 3.26Å; V728-G730 PolarHBondContact O-N 3.28Å; V728-V960 HydrophobicContact CB-CG1 4.33Å; V728-V960 HydrophobicContact CG2-CG1 3.8Å
729	L	80.6	Confident	82.9	Confident	55 Å²	55	39.8 Å²	39.8	29%	0.288	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.5	177.7	-66.9	170.7	0	0	0	114.1	Y699 R703 L725 E726 W727 N731	Y699-L729 HydrophobicContact CD1-CD1 4.31Å; Y699-L729 HydrophobicContact CD1-CD2 3.87Å; Y699-L729 HydrophobicContact CD1-CG 4.36Å; Y699-L729 HydrophobicContact CD2-CD2 3.78Å; Y699-L729 HydrophobicContact CE1-CD2 4.18Å; Y699-L729 HydrophobicContact CE2-CD2 4.09Å; Y699-L729 HydrophobicContact CG-CD1 4.21Å; Y699-L729 HydrophobicContact CG-CD2 3.67Å; Y699-L729 HydrophobicContact CG-CG 4.43Å; R703-L729 VanDerWaalsContact NH2-CD1 3.34Å; L725-L729 HydrophobicContact CD2-CD1 3.62Å; L725-L729 HydrophobicContact CG-CD1 4.29Å; L725-L729 WeakPolarHBondContact O-CG 3.28Å; L725-L729 PolarHBondContact O-N 2.86Å; L725-L729 VanDerWaalsContact O-N 3.16Å; E726-L729 PolarHBondContact O-N 2.63Å; W727-L729 VanDerWaalsContact C-N 3.3Å; W727-L729 PolarHBondContact O-N 3.05Å; L729-N731 VanDerWaalsContact C-N 3.25Å; L729-N731 PolarHBondContact O-N 3.25Å
730	G	78.2	Confident	83	Confident	50 Å²	50	41.6 Å²	41.6	52%	0.515	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	6.1	-177.9	0	0	0	0	0	114.7	E726 W727 V728 I732	E726-G730 PolarHBondContact O-N 2.71Å; W727-G730 PolarHBondContact O-N 3.11Å; V728-G730 VanDerWaalsContact C-N 3.26Å; V728-G730 PolarHBondContact O-N 3.28Å; G730-I732 PolarHBondContact O-N 3.03Å
731	N	82.4	Confident	83	Confident	73 Å²	73	44.1 Å²	44.1	39%	0.39	24%	0.236	S	C	.	.			trans	-79.1	69.2	177.1	-83.1	2.4	0	0	0	110.8	R703 E726 L729 E733 A734 A735	R703-N731 PolarHBondContact NH2-ND2 3.32Å; E726-N731 HydrophobicContact CB-CB 4.23Å; E726-N731 PolarHBondContact O-N 2.91Å; E726-N731 WeakPolarHBondContact OE2-CB 3.34Å; E726-N731 PolarHBondContact OE2-ND2 3.26Å; E726-N731 VanDerWaalsContact OE2-ND2 3.12Å; L729-N731 VanDerWaalsContact C-N 3.25Å; L729-N731 PolarHBondContact O-N 3.25Å; N731-E733 PolarHBondContact O-N 3.16Å; N731-A734 HydrophobicContact CB-CB 4.47Å; N731-A735 VanDerWaalsContact O-CB 3.31Å; N731-A735 WeakPolarHBondContact O-CB 3.39Å; N731-A735 PolarHBondContact O-N 2.95Å
732	I	78	Confident	83	Confident	60 Å²	60	41.8 Å²	41.8	31%	0.308	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-46.1	-172.1	-68.9	173.5	0	0	0	112.2	G730 A735 Q736 I759 C763	G730-I732 PolarHBondContact O-N 3.03Å; I732-A735 WeakPolarHBondContact O-CB 3.4Å; I732-A735 PolarHBondContact O-N 3.32Å; I732-Q736 WeakPolarHBondContact O-CG 3.04Å; I732-Q736 PolarHBondContact O-N 3.24Å; I732-I759 HydrophobicContact CG2-CG2 4.12Å; I732-C763 WeakPolarHBondContact CG2-SG 3.43Å
733	E	83.4	Confident	83	Confident	158 Å²	158	41.8 Å²	41.8	74%	0.738	23%	0.226	S	C	*	.	H	α-helix	trans	-63.3	-51.6	-176.6	-62.9	-179.1	159.9	0	0	111.4	N731 A735 Q736 E737	N731-E733 PolarHBondContact O-N 3.16Å; E733-A735 VanDerWaalsContact C-N 3.27Å; E733-A735 PolarHBondContact O-N 3.14Å; E733-Q736 WeakPolarHBondContact O-CB 3.4Å; E733-Q736 PolarHBondContact O-N 3.07Å; E733-E737 PolarHBondContact O-N 3.21Å
734	A	82.8	Confident	83	Confident	35 Å²	35	49.3 Å²	49.3	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-36	174.1	0	0	0	0	0	112.2	N731 Q736 E737 L738	N731-A734 HydrophobicContact CB-CB 4.47Å; A734-Q736 VanDerWaalsContact C-N 3.34Å; A734-E737 PolarHBondContact O-N 3.16Å; A734-L738 VanDerWaalsContact O-CB 3.29Å; A734-L738 WeakPolarHBondContact O-CB 2.8Å; A734-L738 WeakPolarHBondContact O-CG 3.11Å; A734-L738 PolarHBondContact O-N 3.34Å
735	A	81.6	Confident	83	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-33.1	174.4	0	0	0	0	0	112.9	E726 W727 N731 I732 E733 C739 I759	E726-A735 HydrophobicContact CB-CB 3.94Å; W727-A735 HydrophobicContact CB-CB 4.43Å; N731-A735 VanDerWaalsContact O-CB 3.31Å; N731-A735 WeakPolarHBondContact O-CB 3.39Å; N731-A735 PolarHBondContact O-N 2.95Å; I732-A735 WeakPolarHBondContact O-CB 3.4Å; I732-A735 PolarHBondContact O-N 3.32Å; E733-A735 VanDerWaalsContact C-N 3.27Å; E733-A735 PolarHBondContact O-N 3.14Å; A735-C739 VanDerWaalsContact O-CB 3.31Å; A735-C739 WeakPolarHBondContact O-CB 3.43Å; A735-C739 PolarHBondContact O-N 3.48Å; A735-C739 PolarHBondContact O-SG 3.14Å; A735-I759 HydrophobicContact CB-CD1 4.13Å
736	Q	83	Confident	82.9	Confident	52 Å²	52	56.9 Å²	56.9	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-70.2	-47.1	172.4	-71.2	-175	4.2	0	0	111.4	I732 E733 A734 L738 C739 T740 I759 C763	I732-Q736 WeakPolarHBondContact O-CG 3.04Å; I732-Q736 PolarHBondContact O-N 3.24Å; E733-Q736 WeakPolarHBondContact O-CB 3.4Å; E733-Q736 PolarHBondContact O-N 3.07Å; A734-Q736 VanDerWaalsContact C-N 3.34Å; Q736-L738 PolarHBondContact O-N 3.23Å; Q736-C739 VanDerWaalsContact O-CB 3.3Å; Q736-C739 WeakPolarHBondContact O-CB 3.31Å; Q736-C739 PolarHBondContact O-N 2.83Å; Q736-C739 VanDerWaalsContact O-N 3.16Å; Q736-T740 WeakPolarHBondContact O-CG2 3.36Å; Q736-T740 PolarHBondContact O-N 3.31Å; Q736-I759 HydrophobicContact CG-CG2 3.77Å; Q736-C763 PolarHBondContact NE2-SG 2.98Å
737	E	86	Confident	82.9	Confident	131 Å²	131	60.2 Å²	60.2	61%	0.612	31%	0.307	S	S	*	.	H	α-helix	trans	-56.4	-53.3	175.6	-69.9	-175.4	156.7	0	0	110.8	E733 A734 C739 T740 E741	E733-E737 PolarHBondContact O-N 3.21Å; A734-E737 PolarHBondContact O-N 3.16Å; E737-C739 VanDerWaalsContact C-N 3.28Å; E737-C739 PolarHBondContact O-N 2.66Å; E737-T740 PolarHBondContact O-N 2.96Å; E737-T740 PolarHBondContact O-OG1 2.9Å; E737-E741 PolarHBondContact O-N 3.41Å
738	L	84.3	Confident	82.9	Confident	27 Å²	27	65.6 Å²	65.6	14%	0.141	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-36.1	176	-68.8	175.4	0	0	0	112.7	V723 E726 A734 Q736 A742	V723-L738 HydrophobicContact CG2-CB 4.06Å; E726-L738 HydrophobicContact CG-CD1 3.67Å; A734-L738 VanDerWaalsContact O-CB 3.29Å; A734-L738 WeakPolarHBondContact O-CB 2.8Å; A734-L738 WeakPolarHBondContact O-CG 3.11Å; A734-L738 PolarHBondContact O-N 3.34Å; Q736-L738 PolarHBondContact O-N 3.23Å; L738-A742 WeakPolarHBondContact O-CB 3.43Å; L738-A742 PolarHBondContact O-N 2.79Å
739	C	83.8	Confident	83.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-46	170.5	-84.6	0	0	0	0	111.7	V723 A735 Q736 E737 A742 L743 R756	V723-C739 WeakPolarHBondContact CG1-SG 3.27Å; V723-C739 HydrophobicContact CG2-CB 4.46Å; A735-C739 VanDerWaalsContact O-CB 3.31Å; A735-C739 WeakPolarHBondContact O-CB 3.43Å; A735-C739 PolarHBondContact O-N 3.48Å; A735-C739 PolarHBondContact O-SG 3.14Å; Q736-C739 VanDerWaalsContact O-CB 3.3Å; Q736-C739 WeakPolarHBondContact O-CB 3.31Å; Q736-C739 PolarHBondContact O-N 2.83Å; Q736-C739 VanDerWaalsContact O-N 3.16Å; E737-C739 VanDerWaalsContact C-N 3.28Å; E737-C739 PolarHBondContact O-N 2.66Å; C739-A742 PolarHBondContact O-N 3.4Å; C739-L743 VanDerWaalsContact O-CB 3.31Å; C739-L743 WeakPolarHBondContact O-CB 3.42Å; C739-L743 WeakPolarHBondContact O-CG 3.44Å; C739-L743 PolarHBondContact O-N 3.35Å; C739-R756 HydrophobicContact CB-CB 4.36Å
740	T	84.8	Confident	83.3	Confident	45 Å²	45	65.8 Å²	65.8	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-70.7	-38.1	-178.4	65.5	0	0	0	0	112.6	Q736 E737 L743 K744	Q736-T740 WeakPolarHBondContact O-CG2 3.36Å; Q736-T740 PolarHBondContact O-N 3.31Å; E737-T740 PolarHBondContact O-N 2.96Å; E737-T740 PolarHBondContact O-OG1 2.9Å; T740-L743 PolarHBondContact O-N 3.47Å; T740-K744 VanDerWaalsContact O-CG 3.31Å; T740-K744 WeakPolarHBondContact O-CG 3.21Å; T740-K744 PolarHBondContact O-N 2.98Å
741	E	85.3	Confident	83.6	Confident	74 Å²	74	67.8 Å²	67.8	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-51.3	170.2	-69.1	-170.4	153.1	0	0	111	R710 E737 L743 K744 H745	R710-E741 IonicContact CZ-OE2 3.93Å; R710-E741 IonicContact NH1-OE2 2.73Å; R710-E741 IonicContact NH2-OE2 2.69Å; R710-E741 PolarHBondContact NH2-OE2 3.26Å; E737-E741 PolarHBondContact O-N 3.41Å; E741-L743 PolarHBondContact O-N 3.39Å; E741-K744 WeakPolarHBondContact O-CB 3.33Å; E741-K744 PolarHBondContact O-N 3.3Å; E741-K744 VanDerWaalsContact O-N 3.15Å; E741-H745 PolarHBondContact O-CD2 2.89Å; E741-H745 PolarHBondContact O-N 2.87Å
742	A	84.6	Confident	83.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59	-38.5	179.5	0	0	0	0	0	112	F719 L738 C739 H745 Y746 L752	F719-A742 HydrophobicContact CB-CB 3.67Å; F719-A742 HydrophobicContact CD1-CB 3.57Å; F719-A742 HydrophobicContact CE1-CB 4.4Å; F719-A742 HydrophobicContact CG-CB 3.84Å; L738-A742 WeakPolarHBondContact O-CB 3.43Å; L738-A742 PolarHBondContact O-N 2.79Å; C739-A742 PolarHBondContact O-N 3.4Å; A742-H745 PolarHBondContact O-N 3.25Å; A742-Y746 PolarHBondContact O-N 3.17Å; A742-L752 HydrophobicContact CB-CD2 3.56Å; A742-L752 HydrophobicContact CB-CG 4.17Å
743	L	83.1	Confident	84.3	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-41.8	175.8	-76.2	172.7	0	0	0	112.2	C739 T740 E741 H745 Y746 E747 L752 W753 R756	C739-L743 VanDerWaalsContact O-CB 3.31Å; C739-L743 WeakPolarHBondContact O-CB 3.42Å; C739-L743 WeakPolarHBondContact O-CG 3.44Å; C739-L743 PolarHBondContact O-N 3.35Å; T740-L743 PolarHBondContact O-N 3.47Å; E741-L743 PolarHBondContact O-N 3.39Å; L743-H745 PolarHBondContact O-N 3.46Å; L743-Y746 CarbonylContact O-C 3.58Å; L743-Y746 PolarHBondContact O-N 3.33Å; L743-E747 WeakPolarHBondContact O-CA 3.5Å; L743-E747 WeakPolarHBondContact O-CG 3.45Å; L743-E747 PolarHBondContact O-N 3.16Å; L743-E747 VanDerWaalsContact O-N 3.09Å; L743-L752 HydrophobicContact CD2-CB 3.57Å; L743-L752 HydrophobicContact CD2-CD2 4.26Å; L743-L752 HydrophobicContact CD2-CG 4.48Å; L743-L752 HydrophobicContact CG-CB 4.14Å; L743-W753 HydrophobicContact CD1-CD2 3.98Å; L743-W753 HydrophobicContact CD1-CE3 3.77Å; L743-W753 HydrophobicContact CD1-CH2 4.02Å; L743-W753 HydrophobicContact CD1-CZ2 4.2Å; L743-W753 HydrophobicContact CD1-CZ3 3.81Å; L743-W753 HydrophobicContact CD2-CD2 3.68Å; L743-W753 HydrophobicContact CD2-CE3 4.34Å; L743-W753 HydrophobicContact CD2-CG 3.92Å; L743-W753 HydrophobicContact CD2-CH2 4.47Å; L743-W753 HydrophobicContact CD2-CZ2 3.82Å; L743-W753 HydrophobicContact CG-CD2 4.49Å; L743-W753 HydrophobicContact CG-CZ2 4.43Å; L743-R756 HydrophobicContact CD1-CB 4.47Å
744	K	85.7	Confident	84.5	Confident	158 Å²	158	55.3 Å²	55.3	69%	0.687	27%	0.268	S	S	*	.	H	α-helix	trans	-55.4	-34.3	173.6	-74.1	167.4	-176.8	173	0	112.3	T740 E741	T740-K744 VanDerWaalsContact O-CG 3.31Å; T740-K744 WeakPolarHBondContact O-CG 3.21Å; T740-K744 PolarHBondContact O-N 2.98Å; E741-K744 WeakPolarHBondContact O-CB 3.33Å; E741-K744 PolarHBondContact O-N 3.3Å; E741-K744 VanDerWaalsContact O-N 3.15Å
745	H	83.1	Confident	84.6	Confident	127 Å²	127	53.9 Å²	53.9	59%	0.588	26%	0.255	S	S	*	.	H	α-helix	trans	-85.6	-33.2	176.9	-65.1	-63.4	0	0	0	114	E741 A742 L743	E741-H745 PolarHBondContact O-CD2 2.89Å; E741-H745 PolarHBondContact O-N 2.87Å; A742-H745 PolarHBondContact O-N 3.25Å; L743-H745 PolarHBondContact O-N 3.46Å
746	Y	82.4	Confident	84.7	Confident	69 Å²	69	56.6 Å²	56.6	27%	0.271	27%	0.266	S	S	.	.			trans	-134.5	65	-173.2	-57.5	-80.9	0	0	0	112.2	P714 A716 F719 A742 L743 D748 F749	P714-Y746 VanDerWaalsContact C-OH 3.28Å; P714-Y746 PolarHBondContact O-OH 3.32Å; A716-Y746 HydrophobicContact CB-CD1 4.05Å; A716-Y746 HydrophobicContact CB-CD2 4.22Å; A716-Y746 HydrophobicContact CB-CG 3.77Å; F719-Y746 HydrophobicContact CD2-CD2 4.28Å; F719-Y746 AromaticContact CD2-CE2 3.85Å; F719-Y746 HydrophobicContact CD2-CE2 3.85Å; F719-Y746 AromaticContact CE2-CE2 3.82Å; F719-Y746 HydrophobicContact CE2-CE2 3.82Å; A742-Y746 PolarHBondContact O-N 3.17Å; L743-Y746 CarbonylContact O-C 3.58Å; L743-Y746 PolarHBondContact O-N 3.33Å; Y746-D748 VanDerWaalsContact C-N 3.25Å; Y746-D748 PolarHBondContact O-N 3.08Å; Y746-F749 PolarHBondContact O-N 2.93Å
747	E	82.9	Confident	84.9	Confident	89 Å²	89	54.1 Å²	54.1	42%	0.416	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29	-177	-64.4	-159.3	138.8	0	0	114.3	L743 W753 K779	L743-E747 WeakPolarHBondContact O-CA 3.5Å; L743-E747 WeakPolarHBondContact O-CG 3.45Å; L743-E747 PolarHBondContact O-N 3.16Å; L743-E747 VanDerWaalsContact O-N 3.09Å; E747-W753 PolarHBondContact O-NE1 3.23Å; E747-K779 HydrophobicContact CB-CD 3.99Å; E747-K779 IonicContact OE1-NZ 3.86Å; E747-K779 PolarHBondContact OE1-NZ 3.16Å; E747-K779 IonicContact OE2-NZ 3.94Å; E747-K779 PolarHBondContact OE2-NZ 3.03Å
748	D	85.1	Confident	84.8	Confident	127 Å²	127	50.1 Å²	50.1	68%	0.679	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.8	-177.8	-174.8	43.7	0	0	0	113.1	Y746 P750 C780	Y746-D748 VanDerWaalsContact C-N 3.25Å; Y746-D748 PolarHBondContact O-N 3.08Å; D748-P750 WeakPolarHBondContact O-CD 3.18Å; D748-C780 WeakPolarHBondContact O-CB 3.46Å
749	F	84.5	Confident	84.9	Confident	67 Å²	67	48.9 Å²	48.9	29%	0.294	23%	0.229	S	C	.	.			trans	-79.9	108.2	-169.6	-171	-104.8	0	0	0	112.4	A716 M720 Y746 K751 L752	A716-F749 HydrophobicContact CB-CB 3.93Å; A716-F749 HydrophobicContact CB-CD1 3.87Å; A716-F749 HydrophobicContact CB-CD2 4.06Å; A716-F749 HydrophobicContact CB-CE1 4.28Å; A716-F749 HydrophobicContact CB-CG 3.7Å; M720-F749 HydrophobicContact SD-CE1 4.36Å; Y746-F749 PolarHBondContact O-N 2.93Å; F749-K751 VanDerWaalsContact C-N 3.26Å; F749-K751 HydrophobicContact CD1-CB 4.03Å; F749-K751 HydrophobicContact CE1-CB 3.51Å; F749-K751 HydrophobicContact CZ-CB 4.02Å; F749-K751 PolarHBondContact O-N 2.75Å; F749-K751 VanDerWaalsContact O-N 3.12Å; F749-L752 HydrophobicContact CD1-CB 4.28Å; F749-L752 HydrophobicContact CD1-CD1 3.53Å; F749-L752 HydrophobicContact CD1-CD2 4.49Å; F749-L752 HydrophobicContact CD1-CG 4.27Å; F749-L752 HydrophobicContact CE1-CD1 3.78Å; F749-L752 PolarHBondContact O-N 3.35Å
750	P	83.9	Confident	84.9	Confident	34 Å²	34	49.3 Å²	49.3	22%	0.221	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-25.9	-166.9	26.9	-36.4	0	0	0	113.5	D748 L752 W753 M754 C780 S783	D748-P750 WeakPolarHBondContact O-CD 3.18Å; P750-L752 VanDerWaalsContact C-N 3.34Å; P750-L752 PolarHBondContact O-N 2.92Å; P750-W753 WeakPolarHBondContact O-CB 3.41Å; P750-W753 PolarHBondContact O-N 2.85Å; P750-M754 HydrophobicContact CB-CE 4.25Å; P750-M754 WeakPolarHBondContact O-CG 3.33Å; P750-M754 PolarHBondContact O-N 2.95Å; P750-C780 HydrophobicContact CB-CB 4.23Å; P750-S783 VanDerWaalsContact CB-CB 3.43Å; P750-S783 WeakPolarHBondContact CB-OG 3.29Å
751	K	85.3	Confident	84.8	Confident	91 Å²	91	48.5 Å²	48.5	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-75.2	-23.7	-174	-151.1	162.2	-172.6	169.8	0	113	M720 F749 M754 M755	M720-K751 HydrophobicContact CE-CD 3.77Å; M720-K751 HydrophobicContact CE-CG 4.23Å; M720-K751 HydrophobicContact SD-CD 3.87Å; M720-K751 HydrophobicContact SD-CG 4.23Å; F749-K751 VanDerWaalsContact C-N 3.26Å; F749-K751 HydrophobicContact CD1-CB 4.03Å; F749-K751 HydrophobicContact CE1-CB 3.51Å; F749-K751 HydrophobicContact CZ-CB 4.02Å; F749-K751 PolarHBondContact O-N 2.75Å; F749-K751 VanDerWaalsContact O-N 3.12Å; K751-M754 HydrophobicContact CB-CE 4.17Å; K751-M754 HydrophobicContact CG-CE 4.18Å; K751-M754 HydrophobicContact CG-SD 4.46Å; K751-M754 PolarHBondContact O-N 3.39Å; K751-M755 WeakPolarHBondContact O-CE 3.4Å; K751-M755 WeakPolarHBondContact O-CG 3.46Å; K751-M755 PolarHBondContact O-N 3.13Å
752	L	86.8	Confident	84.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-45.9	168.8	-97.9	50.5	0	0	0	110.3	M720 A742 L743 F749 P750 M754 M755 R756	M720-L752 HydrophobicContact CB-CD1 3.79Å; A742-L752 HydrophobicContact CB-CD2 3.56Å; A742-L752 HydrophobicContact CB-CG 4.17Å; L743-L752 HydrophobicContact CD2-CB 3.57Å; L743-L752 HydrophobicContact CD2-CD2 4.26Å; L743-L752 HydrophobicContact CD2-CG 4.48Å; L743-L752 HydrophobicContact CG-CB 4.14Å; F749-L752 HydrophobicContact CD1-CB 4.28Å; F749-L752 HydrophobicContact CD1-CD1 3.53Å; F749-L752 HydrophobicContact CD1-CD2 4.49Å; F749-L752 HydrophobicContact CD1-CG 4.27Å; F749-L752 HydrophobicContact CE1-CD1 3.78Å; F749-L752 PolarHBondContact O-N 3.35Å; P750-L752 VanDerWaalsContact C-N 3.34Å; P750-L752 PolarHBondContact O-N 2.92Å; L752-M754 VanDerWaalsContact C-N 3.32Å; L752-M754 PolarHBondContact O-N 3.45Å; L752-M755 HydrophobicContact CD1-CE 3.76Å; L752-M755 HydrophobicContact CG-CE 4.36Å; L752-M755 PolarHBondContact O-N 3.44Å; L752-R756 PolarHBondContact O-N 2.86Å
753	W	87.9	Confident	84.5	Confident	6 Å²	6	51.2 Å²	51.2	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-39.9	172.4	-65	106.2	0	0	0	112.6	L743 E747 P750 R756 G757 Q775 G776 K779 L786	L743-W753 HydrophobicContact CD1-CD2 3.98Å; L743-W753 HydrophobicContact CD1-CE3 3.77Å; L743-W753 HydrophobicContact CD1-CH2 4.02Å; L743-W753 HydrophobicContact CD1-CZ2 4.2Å; L743-W753 HydrophobicContact CD1-CZ3 3.81Å; L743-W753 HydrophobicContact CD2-CD2 3.68Å; L743-W753 HydrophobicContact CD2-CE3 4.34Å; L743-W753 HydrophobicContact CD2-CG 3.92Å; L743-W753 HydrophobicContact CD2-CH2 4.47Å; L743-W753 HydrophobicContact CD2-CZ2 3.82Å; L743-W753 HydrophobicContact CG-CD2 4.49Å; L743-W753 HydrophobicContact CG-CZ2 4.43Å; E747-W753 PolarHBondContact O-NE1 3.23Å; P750-W753 WeakPolarHBondContact O-CB 3.41Å; P750-W753 PolarHBondContact O-N 2.85Å; W753-R756 PolarHBondContact O-N 3.45Å; W753-G757 PolarHBondContact O-N 3Å; W753-G757 VanDerWaalsContact O-N 3.07Å; W753-Q775 HydrophobicContact CE3-CB 4.38Å; W753-Q775 HydrophobicContact CH2-CB 3.93Å; W753-Q775 HydrophobicContact CZ3-CB 3.67Å; W753-G776 VanDerWaalsContact CD2-CA 3.43Å; W753-G776 VanDerWaalsContact CG-CA 3.48Å; W753-K779 HydrophobicContact CZ2-CD 4.05Å; W753-L786 HydrophobicContact CB-CD1 4.24Å; W753-L786 HydrophobicContact CB-CD2 4.2Å
754	M	87	Confident	84.3	Confident	24 Å²	24	58.8 Å²	58.8	12%	0.118	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-49.5	173.5	-65.1	-172.6	-126.3	0	0	112	P750 K751 L752 G757 Q758 P785 L786 L789	P750-M754 HydrophobicContact CB-CE 4.25Å; P750-M754 WeakPolarHBondContact O-CG 3.33Å; P750-M754 PolarHBondContact O-N 2.95Å; K751-M754 HydrophobicContact CB-CE 4.17Å; K751-M754 HydrophobicContact CG-CE 4.18Å; K751-M754 HydrophobicContact CG-SD 4.46Å; K751-M754 PolarHBondContact O-N 3.39Å; L752-M754 VanDerWaalsContact C-N 3.32Å; L752-M754 PolarHBondContact O-N 3.45Å; M754-G757 PolarHBondContact O-N 3.14Å; M754-Q758 WeakPolarHBondContact O-CB 3.25Å; M754-Q758 VanDerWaalsContact O-CG 3.29Å; M754-Q758 WeakPolarHBondContact O-CG 3.4Å; M754-Q758 PolarHBondContact O-N 3.48Å; M754-P785 HydrophobicContact CE-CB 3.98Å; M754-P785 HydrophobicContact SD-CB 3.97Å; M754-L786 HydrophobicContact CG-CB 4.42Å; M754-L786 HydrophobicContact CG-CD1 3.81Å; M754-L789 HydrophobicContact CB-CD1 3.71Å; M754-L789 HydrophobicContact CG-CD1 3.54Å; M754-L789 HydrophobicContact SD-CD1 3.78Å
755	M	85.7	Confident	84.2	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-39.1	-179.2	-68.8	175.5	-51.6	0	0	112.1	M720 V723 K724 K751 L752 G757 Q758 I759	M720-M755 HydrophobicContact CB-CE 3.78Å; M720-M755 HydrophobicContact CE-SD 4.42Å; M720-M755 HydrophobicContact CG-CE 3.68Å; M720-M755 HydrophobicContact CG-SD 3.81Å; V723-M755 HydrophobicContact CB-CE 4.47Å; V723-M755 HydrophobicContact CG1-CB 4.21Å; V723-M755 HydrophobicContact CG1-CE 4.17Å; V723-M755 HydrophobicContact CG1-SD 4.29Å; K724-M755 HydrophobicContact CD-SD 4.05Å; K724-M755 HydrophobicContact CG-SD 3.81Å; K751-M755 WeakPolarHBondContact O-CE 3.4Å; K751-M755 WeakPolarHBondContact O-CG 3.46Å; K751-M755 PolarHBondContact O-N 3.13Å; L752-M755 HydrophobicContact CD1-CE 3.76Å; L752-M755 HydrophobicContact CG-CE 4.36Å; L752-M755 PolarHBondContact O-N 3.44Å; M755-G757 PolarHBondContact O-N 3.45Å; M755-Q758 PolarHBondContact O-N 3.3Å; M755-I759 WeakPolarHBondContact O-CD1 3.34Å; M755-I759 VanDerWaalsContact O-CG1 3.27Å; M755-I759 WeakPolarHBondContact O-CG1 3.5Å; M755-I759 PolarHBondContact O-N 3.2Å
756	R	84.4	Confident	84.2	Confident	57 Å²	57	51.5 Å²	51.5	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-49.7	174.9	-177.2	176.2	178.3	-178.3	0.2	111.4	C739 L743 L752 W753 Q758 I759 E760 A772	C739-R756 HydrophobicContact CB-CB 4.36Å; L743-R756 HydrophobicContact CD1-CB 4.47Å; L752-R756 PolarHBondContact O-N 2.86Å; W753-R756 PolarHBondContact O-N 3.45Å; R756-Q758 VanDerWaalsContact C-N 3.33Å; R756-Q758 PolarHBondContact O-N 3.24Å; R756-I759 PolarHBondContact O-N 2.86Å; R756-E760 VanDerWaalsContact O-CG 3.29Å; R756-E760 WeakPolarHBondContact O-CG 3.41Å; R756-E760 PolarHBondContact O-N 3.02Å; R756-A772 HydrophobicContact CG-CB 4.05Å
757	G	85.7	Confident	84.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-34	177.5	0	0	0	0	0	113.3	W753 M754 M755 E760 E761	W753-G757 PolarHBondContact O-N 3Å; W753-G757 VanDerWaalsContact O-N 3.07Å; M754-G757 PolarHBondContact O-N 3.14Å; M755-G757 PolarHBondContact O-N 3.45Å; G757-E760 PolarHBondContact O-N 2.58Å; G757-E761 WeakPolarHBondContact O-CB 3.38Å; G757-E761 WeakPolarHBondContact O-CG 3.44Å; G757-E761 PolarHBondContact O-N 3.43Å
758	Q	85.3	Confident	84.4	Confident	47 Å²	47	54.5 Å²	54.5	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-70.7	-32.3	174.8	-72.6	-178.6	-31.4	0	0	113.8	W727 M754 M755 R756 Q762 Y773	W727-Q758 HydrophobicContact CH2-CB 3.6Å; W727-Q758 HydrophobicContact CZ2-CB 3.87Å; M754-Q758 WeakPolarHBondContact O-CB 3.25Å; M754-Q758 VanDerWaalsContact O-CG 3.29Å; M754-Q758 WeakPolarHBondContact O-CG 3.4Å; M754-Q758 PolarHBondContact O-N 3.48Å; M755-Q758 PolarHBondContact O-N 3.3Å; R756-Q758 VanDerWaalsContact C-N 3.33Å; R756-Q758 PolarHBondContact O-N 3.24Å; Q758-Q762 WeakPolarHBondContact O-CG 3.3Å; Q758-Q762 PolarHBondContact O-N 2.83Å; Q758-Y773 PolarHBondContact N-OH 3.34Å
759	I	85.3	Confident	84.4	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-48.3	171.4	-69.4	160.9	0	0	0	109.1	V723 W727 I732 A735 Q736 M755 R756 E761 Q762 C763	V723-I759 HydrophobicContact CG1-CD1 3.96Å; W727-I759 HydrophobicContact CD2-CD1 4.41Å; W727-I759 HydrophobicContact CD2-CG1 3.82Å; W727-I759 HydrophobicContact CG-CD1 4.32Å; W727-I759 HydrophobicContact CG-CG1 3.9Å; W727-I759 HydrophobicContact CZ2-CG1 4.2Å; I732-I759 HydrophobicContact CG2-CG2 4.12Å; A735-I759 HydrophobicContact CB-CD1 4.13Å; Q736-I759 HydrophobicContact CG-CG2 3.77Å; M755-I759 WeakPolarHBondContact O-CD1 3.34Å; M755-I759 VanDerWaalsContact O-CG1 3.27Å; M755-I759 WeakPolarHBondContact O-CG1 3.5Å; M755-I759 PolarHBondContact O-N 3.2Å; R756-I759 PolarHBondContact O-N 2.86Å; I759-E761 VanDerWaalsContact C-N 3.32Å; I759-E761 PolarHBondContact O-N 3.01Å; I759-Q762 WeakPolarHBondContact O-CB 3.41Å; I759-Q762 PolarHBondContact O-N 3.24Å; I759-C763 PolarHBondContact O-N 3.31Å; I759-C763 PolarHBondContact O-SG 2.88Å
760	E	84.1	Confident	84.5	Confident	9 Å²	9	47.5 Å²	47.5	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-32.7	177.9	-63.6	-81.8	-163.3	0	0	112.8	R756 G757 Q762 C763 E764 N765 K768 A769	R756-E760 VanDerWaalsContact O-CG 3.29Å; R756-E760 WeakPolarHBondContact O-CG 3.41Å; R756-E760 PolarHBondContact O-N 3.02Å; G757-E760 PolarHBondContact O-N 2.58Å; E760-Q762 VanDerWaalsContact C-N 3.32Å; E760-Q762 PolarHBondContact O-N 2.7Å; E760-C763 PolarHBondContact O-N 2.82Å; E760-E764 PolarHBondContact O-N 2.69Å; E760-N765 PolarHBondContact O-N 3.48Å; E760-N765 VanDerWaalsContact O-N 3.11Å; E760-K768 HydrophobicContact CG-CB 4.33Å; E760-A769 HydrophobicContact CB-CB 3.83Å
761	E	83.4	Confident	84.8	Confident	28 Å²	28	51.2 Å²	51.2	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-38.3	169.3	-86.4	177.5	-138.2	0	0	112.3	G757 I759 E764 A769 Y773 L793 R796	G757-E761 WeakPolarHBondContact O-CB 3.38Å; G757-E761 WeakPolarHBondContact O-CG 3.44Å; G757-E761 PolarHBondContact O-N 3.43Å; I759-E761 VanDerWaalsContact C-N 3.32Å; I759-E761 PolarHBondContact O-N 3.01Å; E761-E764 PolarHBondContact O-N 2.85Å; E761-A769 HydrophobicContact CG-CB 4.18Å; E761-Y773 VanDerWaalsContact OE1-CE2 3.26Å; E761-Y773 WeakPolarHBondContact OE1-CE2 3.42Å; E761-Y773 PolarHBondContact OE1-OH 3.37Å; E761-L793 HydrophobicContact CG-CD1 3.83Å; E761-R796 IonicContact OE2-CZ 3.2Å; E761-R796 IonicContact OE2-NH1 2.83Å; E761-R796 PolarHBondContact OE2-NH1 3.41Å
762	Q	81.6	Confident	84.9	Confident	95 Å²	95	47 Å²	47	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-76.6	-24.8	176.5	-72.3	-177.5	-2.4	0	0	113.1	Q758 I759 E760 E764	Q758-Q762 WeakPolarHBondContact O-CG 3.3Å; Q758-Q762 PolarHBondContact O-N 2.83Å; I759-Q762 WeakPolarHBondContact O-CB 3.41Å; I759-Q762 PolarHBondContact O-N 3.24Å; E760-Q762 VanDerWaalsContact C-N 3.32Å; E760-Q762 PolarHBondContact O-N 2.7Å; Q762-E764 PolarHBondContact O-N 2.85Å
763	C	80.8	Confident	85	Confident	35 Å²	35	47 Å²	47	24%	0.236	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	6	170.3	-56.3	0	0	0	0	113.6	I732 Q736 I759 E760 N765	I732-C763 WeakPolarHBondContact CG2-SG 3.43Å; Q736-C763 PolarHBondContact NE2-SG 2.98Å; I759-C763 PolarHBondContact O-N 3.31Å; I759-C763 PolarHBondContact O-SG 2.88Å; E760-C763 PolarHBondContact O-N 2.82Å; C763-N765 HydrophobicContact CB-CB 4.38Å; C763-N765 PolarHBondContact O-N 3.33Å
764	E	79.1	Confident	85.1	Confident	166 Å²	166	49.4 Å²	49.4	78%	0.776	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	5.9	-172.2	-54.3	-169.6	153.3	0	0	115	E760 E761 Q762 M766	E760-E764 PolarHBondContact O-N 2.69Å; E761-E764 PolarHBondContact O-N 2.85Å; Q762-E764 PolarHBondContact O-N 2.85Å; E764-M766 PolarHBondContact O-N 3.5Å
765	N	84.8	Confident	85.1	Confident	68 Å²	68	51 Å²	51	36%	0.364	25%	0.245	S	C	.	.			trans	-80.6	63	-178.4	-73.6	-43.3	0	0	0	111.7	E760 C763 D767 K768 A769	E760-N765 PolarHBondContact O-N 3.48Å; E760-N765 VanDerWaalsContact O-N 3.11Å; C763-N765 HydrophobicContact CB-CB 4.38Å; C763-N765 PolarHBondContact O-N 3.33Å; N765-D767 PolarHBondContact O-N 3.1Å; N765-D767 VanDerWaalsContact O-N 3.08Å; N765-K768 HydrophobicContact CB-CB 4.17Å; N765-K768 HydrophobicContact CB-CD 4.12Å; N765-K768 HydrophobicContact CB-CG 4.34Å; N765-K768 PolarHBondContact O-N 3.43Å; N765-A769 PolarHBondContact O-N 3.41Å
766	M	82	Confident	85.1	Confident	64 Å²	64	50.8 Å²	50.8	32%	0.315	24%	0.244	S	C	.	.	H	α-helix	trans	-54.3	-32.7	-174.5	-63	-64.5	-178.9	0	0	113.9	E764 R770 L793 V797	E764-M766 PolarHBondContact O-N 3.5Å; M766-R770 WeakPolarHBondContact O-CG 3.35Å; M766-R770 PolarHBondContact O-N 2.88Å; M766-L793 HydrophobicContact SD-CD1 3.53Å; M766-L793 VanDerWaalsContact SD-CD1 3.53Å; M766-V797 HydrophobicContact CB-CG2 4.39Å
767	D	85.5	Confident	85.2	Confident	113 Å²	113	48.5 Å²	48.5	60%	0.604	24%	0.236	S	C	*	.	H	α-helix	trans	-71.8	-42.2	178.4	-63.7	-38.1	0	0	0	112.3	N765 R770 E771	N765-D767 PolarHBondContact O-N 3.1Å; N765-D767 VanDerWaalsContact O-N 3.08Å; D767-R770 PolarHBondContact O-N 3.36Å; D767-R770 IonicContact OD1-CZ 3.25Å; D767-R770 IonicContact OD1-NH1 2.72Å; D767-R770 PolarHBondContact OD1-NH1 3.47Å; D767-R770 IonicContact OD1-NH2 2.99Å; D767-R770 PolarHBondContact OD1-NH2 3.31Å; D767-E771 PolarHBondContact O-N 3.09Å
768	K	85.3	Confident	85.2	Confident	107 Å²	107	56.9 Å²	56.9	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-37.4	173.8	-66.3	-177.9	-178.1	171.9	0	111.6	E760 N765 E771 A772	E760-K768 HydrophobicContact CG-CB 4.33Å; N765-K768 HydrophobicContact CB-CB 4.17Å; N765-K768 HydrophobicContact CB-CD 4.12Å; N765-K768 HydrophobicContact CB-CG 4.34Å; N765-K768 PolarHBondContact O-N 3.43Å; K768-E771 PolarHBondContact O-N 3.11Å; K768-A772 WeakPolarHBondContact O-CB 3.47Å; K768-A772 PolarHBondContact O-N 3.05Å
769	A	85.1	Confident	85.2	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-45.4	173	0	0	0	0	0	111.7	E760 E761 N765 E771 A772 Y773 L793	E760-A769 HydrophobicContact CB-CB 3.83Å; E761-A769 HydrophobicContact CG-CB 4.18Å; N765-A769 PolarHBondContact O-N 3.41Å; A769-E771 VanDerWaalsContact C-N 3.33Å; A769-E771 PolarHBondContact O-N 3.26Å; A769-A772 PolarHBondContact O-N 2.94Å; A769-Y773 WeakPolarHBondContact O-CD2 3.42Å; A769-Y773 PolarHBondContact O-N 2.96Å; A769-L793 HydrophobicContact CB-CD2 3.78Å
770	R	86.5	Confident	84.9	Confident	47 Å²	47	59.2 Å²	59.2	18%	0.177	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-41.3	172.5	-76.1	-176.4	-125	124.6	13.3	111.6	M766 D767 N774 L790 L793 E794	M766-R770 WeakPolarHBondContact O-CG 3.35Å; M766-R770 PolarHBondContact O-N 2.88Å; D767-R770 PolarHBondContact O-N 3.36Å; D767-R770 IonicContact OD1-CZ 3.25Å; D767-R770 IonicContact OD1-NH1 2.72Å; D767-R770 PolarHBondContact OD1-NH1 3.47Å; D767-R770 IonicContact OD1-NH2 2.99Å; D767-R770 PolarHBondContact OD1-NH2 3.31Å; R770-N774 WeakPolarHBondContact O-CB 3.42Å; R770-N774 PolarHBondContact O-N 2.99Å; R770-N774 PolarHBondContact O-ND2 3.4Å; R770-L790 HydrophobicContact CG-CD1 4.4Å; R770-L793 HydrophobicContact CB-CD2 4.36Å; R770-L793 HydrophobicContact CG-CD2 3.58Å; R770-L793 HydrophobicContact CG-CG 4.24Å; R770-E794 WeakPolarHBondContact CD-OE1 3.31Å; R770-E794 IonicContact NE-OE2 2.86Å
771	E	88.8	Confident	84.7	Confident	113 Å²	113	60.6 Å²	60.6	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-50.1	176.5	-170	-178.1	-178.5	0	0	111.5	D767 K768 A769 Y773 N774 Q775	D767-E771 PolarHBondContact O-N 3.09Å; K768-E771 PolarHBondContact O-N 3.11Å; A769-E771 VanDerWaalsContact C-N 3.33Å; A769-E771 PolarHBondContact O-N 3.26Å; E771-Y773 VanDerWaalsContact C-N 3.34Å; E771-Y773 PolarHBondContact O-N 3.16Å; E771-N774 PolarHBondContact O-N 3.07Å; E771-N774 VanDerWaalsContact O-N 3.12Å; E771-Q775 HydrophobicContact CG-CG 4.13Å; E771-Q775 WeakPolarHBondContact O-CB 3.45Å; E771-Q775 WeakPolarHBondContact O-CG 3.32Å; E771-Q775 PolarHBondContact O-N 2.66Å; E771-Q775 PolarHBondContact OE1-NE2 2.97Å
772	A	87.8	Confident	84.7	Confident	2 Å²	2	66.2 Å²	66.2	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-57	-45	179.4	0	0	0	0	0	112	R756 K768 A769 G776	R756-A772 HydrophobicContact CG-CB 4.05Å; K768-A772 WeakPolarHBondContact O-CB 3.47Å; K768-A772 PolarHBondContact O-N 3.05Å; A769-A772 PolarHBondContact O-N 2.94Å; A772-G776 PolarHBondContact O-N 3.19Å
773	Y	89.4	Confident	84.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-41.3	174.8	-67.2	-33.2	0	0	0	112.6	Q758 E761 A769 E771 G776 L777 L786 L789 L790 L793	Q758-Y773 PolarHBondContact N-OH 3.34Å; E761-Y773 VanDerWaalsContact OE1-CE2 3.26Å; E761-Y773 WeakPolarHBondContact OE1-CE2 3.42Å; E761-Y773 PolarHBondContact OE1-OH 3.37Å; A769-Y773 WeakPolarHBondContact O-CD2 3.42Å; A769-Y773 PolarHBondContact O-N 2.96Å; E771-Y773 VanDerWaalsContact C-N 3.34Å; E771-Y773 PolarHBondContact O-N 3.16Å; Y773-G776 PolarHBondContact O-N 3.12Å; Y773-L777 WeakPolarHBondContact O-CB 3.47Å; Y773-L777 VanDerWaalsContact O-CG 3.24Å; Y773-L777 WeakPolarHBondContact O-CG 3.47Å; Y773-L777 PolarHBondContact O-N 3.11Å; Y773-L786 HydrophobicContact CD1-CD1 3.6Å; Y773-L786 HydrophobicContact CE1-CD1 4.18Å; Y773-L786 HydrophobicContact CG-CD1 4.43Å; Y773-L789 HydrophobicContact CE1-CB 4.13Å; Y773-L789 HydrophobicContact CE1-CD1 4.41Å; Y773-L789 HydrophobicContact CE2-CB 4.22Å; Y773-L790 HydrophobicContact CD2-CB 4.27Å; Y773-L790 HydrophobicContact CD2-CD1 4.18Å; Y773-L790 HydrophobicContact CG-CB 4.43Å; Y773-L793 HydrophobicContact CD2-CD2 3.68Å; Y773-L793 HydrophobicContact CE2-CB 4.22Å; Y773-L793 HydrophobicContact CE2-CD2 3.72Å
774	N	89.4	Confident	84.9	Confident	56 Å²	56	61.3 Å²	61.3	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-68.3	-37	177.5	-82.6	-73	0	0	0	112.9	R770 E771 K778	R770-N774 WeakPolarHBondContact O-CB 3.42Å; R770-N774 PolarHBondContact O-N 2.99Å; R770-N774 PolarHBondContact O-ND2 3.4Å; E771-N774 PolarHBondContact O-N 3.07Å; E771-N774 VanDerWaalsContact O-N 3.12Å; N774-K778 VanDerWaalsContact O-CG 3.31Å; N774-K778 WeakPolarHBondContact O-CG 3.5Å; N774-K778 PolarHBondContact O-N 3.42Å; N774-K778 VanDerWaalsContact O-N 3.08Å
775	Q	87.5	Confident	85.3	Confident	58 Å²	58	56.6 Å²	56.6	27%	0.271	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-47	171.3	-72.4	-174.8	9.6	0	0	110.2	W753 E771 L777 K778 K779	W753-Q775 HydrophobicContact CE3-CB 4.38Å; W753-Q775 HydrophobicContact CH2-CB 3.93Å; W753-Q775 HydrophobicContact CZ3-CB 3.67Å; E771-Q775 HydrophobicContact CG-CG 4.13Å; E771-Q775 WeakPolarHBondContact O-CB 3.45Å; E771-Q775 WeakPolarHBondContact O-CG 3.32Å; E771-Q775 PolarHBondContact O-N 2.66Å; E771-Q775 PolarHBondContact OE1-NE2 2.97Å; Q775-L777 PolarHBondContact O-N 2.99Å; Q775-K778 PolarHBondContact O-N 3.45Å; Q775-K779 PolarHBondContact O-N 3.45Å
776	G	85.6	Confident	85.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-52.6	173.7	0	0	0	0	0	112	W753 A772 Y773 K778 K779 C780	W753-G776 VanDerWaalsContact CD2-CA 3.43Å; W753-G776 VanDerWaalsContact CG-CA 3.48Å; A772-G776 PolarHBondContact O-N 3.19Å; Y773-G776 PolarHBondContact O-N 3.12Å; G776-K778 VanDerWaalsContact C-N 3.28Å; G776-K778 PolarHBondContact O-N 3.3Å; G776-K779 CarbonylContact O-C 3.49Å; G776-K779 PolarHBondContact O-N 2.91Å; G776-C780 PolarHBondContact O-N 2.8Å; G776-C780 PolarHBondContact O-SG 3.35Å
777	L	85.6	Confident	85.8	Confident	9 Å²	9	51.3 Å²	51.3	5%	0.047	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-25.6	-178.9	-70.1	172.2	0	0	0	114.7	Y773 Q775 P781 L786 W787 L790	Y773-L777 WeakPolarHBondContact O-CB 3.47Å; Y773-L777 VanDerWaalsContact O-CG 3.24Å; Y773-L777 WeakPolarHBondContact O-CG 3.47Å; Y773-L777 PolarHBondContact O-N 3.11Å; Q775-L777 PolarHBondContact O-N 2.99Å; L777-P781 WeakPolarHBondContact O-CA 3.2Å; L777-L786 HydrophobicContact CD2-CB 3.92Å; L777-L786 HydrophobicContact CD2-CD2 3.77Å; L777-L786 HydrophobicContact CD2-CG 3.66Å; L777-L786 HydrophobicContact CG-CD2 3.97Å; L777-L786 HydrophobicContact CG-CG 3.9Å; L777-W787 HydrophobicContact CB-CH2 4.44Å; L777-W787 HydrophobicContact CB-CZ2 4.4Å; L777-W787 HydrophobicContact CD1-CD2 3.92Å; L777-W787 HydrophobicContact CD1-CE3 3.62Å; L777-W787 HydrophobicContact CD1-CH2 4.32Å; L777-W787 HydrophobicContact CD1-CZ3 3.85Å; L777-W787 HydrophobicContact CD2-CB 4.48Å; L777-W787 HydrophobicContact CD2-CD2 3.52Å; L777-W787 HydrophobicContact CD2-CE3 4.12Å; L777-W787 HydrophobicContact CD2-CG 3.66Å; L777-W787 HydrophobicContact CD2-CZ2 4.06Å; L777-W787 HydrophobicContact CG-CD2 4.3Å; L777-W787 HydrophobicContact CG-CE3 4.44Å; L777-L790 HydrophobicContact CD1-CB 4.14Å; L777-L790 HydrophobicContact CD1-CD2 3.41Å; L777-L790 VanDerWaalsContact CD1-CD2 3.41Å; L777-L790 HydrophobicContact CD1-CG 4.41Å
778	K	86.6	Confident	86	Confident	176 Å²	176	47.1 Å²	47.1	77%	0.765	23%	0.228	S	C	*	.	H	α-helix	trans	-68.6	-35.6	169.7	-75.4	171.3	-178.5	179.5	0	112	N774 Q775 G776	N774-K778 VanDerWaalsContact O-CG 3.31Å; N774-K778 WeakPolarHBondContact O-CG 3.5Å; N774-K778 PolarHBondContact O-N 3.42Å; N774-K778 VanDerWaalsContact O-N 3.08Å; Q775-K778 PolarHBondContact O-N 3.45Å; G776-K778 VanDerWaalsContact C-N 3.28Å; G776-K778 PolarHBondContact O-N 3.3Å
779	K	84.5	Confident	86.1	Confident	90 Å²	90	43.4 Å²	43.4	39%	0.391	21%	0.213	S	C	.	.	H	α-helix	trans	-88.9	-41.9	-177.7	-59.9	-163.7	-174	-159.8	0	113.2	E747 W753 Q775 G776 P781	E747-K779 HydrophobicContact CB-CD 3.99Å; E747-K779 IonicContact OE1-NZ 3.86Å; E747-K779 PolarHBondContact OE1-NZ 3.16Å; E747-K779 IonicContact OE2-NZ 3.94Å; E747-K779 PolarHBondContact OE2-NZ 3.03Å; W753-K779 HydrophobicContact CZ2-CD 4.05Å; Q775-K779 PolarHBondContact O-N 3.45Å; G776-K779 CarbonylContact O-C 3.49Å; G776-K779 PolarHBondContact O-N 2.91Å; K779-P781 VanDerWaalsContact C-CD 3.41Å; K779-P781 VanDerWaalsContact O-CD 3.25Å; K779-P781 WeakPolarHBondContact O-CD 3.39Å
780	C	80.3	Confident	86.3	Confident	8 Å²	8	43.4 Å²	43.4	5%	0.054	21%	0.213	C	C	.	.			trans	-120.1	64.7	-178.2	60.3	0	0	0	0	112.5	D748 P750 G776 H782 S783 L786	D748-C780 WeakPolarHBondContact O-CB 3.46Å; P750-C780 HydrophobicContact CB-CB 4.23Å; G776-C780 PolarHBondContact O-N 2.8Å; G776-C780 PolarHBondContact O-SG 3.35Å; C780-H782 PolarHBondContact O-N 3.33Å; C780-H782 VanDerWaalsContact O-N 3.13Å; C780-S783 PolarHBondContact O-N 3.5Å; C780-S783 PolarHBondContact O-OG 2.88Å; C780-L786 VanDerWaalsContact SG-CD2 3.53Å
781	P	79.3	Confident	86.4	Confident	38 Å²	38	41.2 Å²	41.2	25%	0.247	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.8	-172	26.5	-36.3	0	0	0	114.3	L777 K779 S783 W787 N814	L777-P781 WeakPolarHBondContact O-CA 3.2Å; K779-P781 VanDerWaalsContact C-CD 3.41Å; K779-P781 VanDerWaalsContact O-CD 3.25Å; K779-P781 WeakPolarHBondContact O-CD 3.39Å; P781-S783 VanDerWaalsContact C-N 3.33Å; P781-S783 PolarHBondContact O-N 3.05Å; P781-W787 PolarHBondContact O-NE1 3.07Å; P781-N814 PolarHBondContact O-ND2 2.83Å; P781-N814 PolarHBondContact O-OD1 3.14Å
782	H	82.9	Confident	86.3	Confident	146 Å²	146	39 Å²	39	68%	0.676	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-2.8	-175.4	-60.7	-29.6	0	0	0	115.2	C780 A784 N814	C780-H782 PolarHBondContact O-N 3.33Å; C780-H782 VanDerWaalsContact O-N 3.13Å; H782-A784 PolarHBondContact O-N 2.84Å; H782-N814 WeakPolarHBondContact CA-OD1 3.33Å; H782-N814 PolarHBondContact ND1-OD1 3.13Å
783	S	82.7	Confident	86.4	Confident	15 Å²	15	38.9 Å²	38.9	11%	0.105	19%	0.191	C	C	.	.			trans	-85.6	95	-177.2	62.9	0	0	0	0	112.9	P750 C780 P781 L786	P750-S783 VanDerWaalsContact CB-CB 3.43Å; P750-S783 WeakPolarHBondContact CB-OG 3.29Å; C780-S783 PolarHBondContact O-N 3.5Å; C780-S783 PolarHBondContact O-OG 2.88Å; P781-S783 VanDerWaalsContact C-N 3.33Å; P781-S783 PolarHBondContact O-N 3.05Å; S783-L786 PolarHBondContact O-N 3.41Å; S783-L786 VanDerWaalsContact O-N 3.16Å; S783-L786 WeakPolarHBondContact OG-CB 3.45Å
784	A	84.1	Confident	86.3	Confident	12 Å²	12	39 Å²	39	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-51.4	-45.5	179.6	0	0	0	0	0	114.2	H782 L786 W787 L788 L820	H782-A784 PolarHBondContact O-N 2.84Å; A784-L786 PolarHBondContact O-N 2.99Å; A784-L786 VanDerWaalsContact O-N 3.16Å; A784-W787 WeakPolarHBondContact O-CB 3.43Å; A784-W787 PolarHBondContact O-N 2.69Å; A784-W787 VanDerWaalsContact O-N 3.12Å; A784-L788 WeakPolarHBondContact O-CG 3.33Å; A784-L788 PolarHBondContact O-N 3.27Å; A784-L788 VanDerWaalsContact O-N 3.12Å; A784-L820 HydrophobicContact CB-CD2 3.89Å; A784-L820 HydrophobicContact CB-CG 4.07Å
785	P	87	Confident	86.2	Confident	66 Å²	66	38.7 Å²	38.7	43%	0.429	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-26.1	-178.7	-25.1	35.9	0	0	0	115	M754 L788 L789	M754-P785 HydrophobicContact CE-CB 3.98Å; M754-P785 HydrophobicContact SD-CB 3.97Å; P785-L788 PolarHBondContact O-N 2.9Å; P785-L789 WeakPolarHBondContact O-CG 3.31Å; P785-L789 PolarHBondContact O-N 2.72Å
786	L	88.1	Confident	86	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.1	-37.7	177.8	-173.7	61.6	0	0	0	111.1	W753 M754 Y773 L777 C780 S783 A784 L788 L789 L790	W753-L786 HydrophobicContact CB-CD1 4.24Å; W753-L786 HydrophobicContact CB-CD2 4.2Å; M754-L786 HydrophobicContact CG-CB 4.42Å; M754-L786 HydrophobicContact CG-CD1 3.81Å; Y773-L786 HydrophobicContact CD1-CD1 3.6Å; Y773-L786 HydrophobicContact CE1-CD1 4.18Å; Y773-L786 HydrophobicContact CG-CD1 4.43Å; L777-L786 HydrophobicContact CD2-CB 3.92Å; L777-L786 HydrophobicContact CD2-CD2 3.77Å; L777-L786 HydrophobicContact CD2-CG 3.66Å; L777-L786 HydrophobicContact CG-CD2 3.97Å; L777-L786 HydrophobicContact CG-CG 3.9Å; C780-L786 VanDerWaalsContact SG-CD2 3.53Å; S783-L786 PolarHBondContact O-N 3.41Å; S783-L786 VanDerWaalsContact O-N 3.16Å; S783-L786 WeakPolarHBondContact OG-CB 3.45Å; A784-L786 PolarHBondContact O-N 2.99Å; A784-L786 VanDerWaalsContact O-N 3.16Å; L786-L788 VanDerWaalsContact C-N 3.31Å; L786-L789 PolarHBondContact O-N 3.12Å; L786-L790 PolarHBondContact O-N 3.48Å; L786-L790 VanDerWaalsContact O-N 3.07Å
787	W	89.7	Confident	86.1	Confident	21 Å²	21	46.3 Å²	46.3	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-38.6	169.8	-69.5	104	0	0	0	111.6	L777 P781 A784 L790 S791 I806 K809 A810 K813 L820	L777-W787 HydrophobicContact CB-CH2 4.44Å; L777-W787 HydrophobicContact CB-CZ2 4.4Å; L777-W787 HydrophobicContact CD1-CD2 3.92Å; L777-W787 HydrophobicContact CD1-CE3 3.62Å; L777-W787 HydrophobicContact CD1-CH2 4.32Å; L777-W787 HydrophobicContact CD1-CZ3 3.85Å; L777-W787 HydrophobicContact CD2-CB 4.48Å; L777-W787 HydrophobicContact CD2-CD2 3.52Å; L777-W787 HydrophobicContact CD2-CE3 4.12Å; L777-W787 HydrophobicContact CD2-CG 3.66Å; L777-W787 HydrophobicContact CD2-CZ2 4.06Å; L777-W787 HydrophobicContact CG-CD2 4.3Å; L777-W787 HydrophobicContact CG-CE3 4.44Å; P781-W787 PolarHBondContact O-NE1 3.07Å; A784-W787 WeakPolarHBondContact O-CB 3.43Å; A784-W787 PolarHBondContact O-N 2.69Å; A784-W787 VanDerWaalsContact O-N 3.12Å; W787-L790 PolarHBondContact O-N 3.5Å; W787-S791 WeakPolarHBondContact O-CB 3.37Å; W787-S791 PolarHBondContact O-N 3.37Å; W787-I806 HydrophobicContact CE3-CG2 3.83Å; W787-I806 HydrophobicContact CZ3-CG2 4.11Å; W787-K809 HydrophobicContact CH2-CB 4.36Å; W787-K809 HydrophobicContact CZ3-CB 4.27Å; W787-A810 HydrophobicContact CB-CB 3.8Å; W787-A810 HydrophobicContact CD2-CB 3.32Å; W787-A810 HydrophobicContact CE3-CB 3.5Å; W787-A810 VanDerWaalsContact CE3-CB 3.5Å; W787-A810 HydrophobicContact CG-CB 3.49Å; W787-A810 VanDerWaalsContact CG-CB 3.49Å; W787-A810 HydrophobicContact CZ3-CB 4.22Å; W787-K813 HydrophobicContact CZ2-CB 4.34Å; W787-K813 HydrophobicContact CZ2-CG 4.34Å; W787-L820 HydrophobicContact CB-CD2 3.85Å
788	L	89	Confident	86	Confident	25 Å²	25	48.6 Å²	48.6	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-42.7	177	-57.8	-169	0	0	0	112.1	A784 P785 L786 S791 R792 L807 D819 L820 E823	A784-L788 WeakPolarHBondContact O-CG 3.33Å; A784-L788 PolarHBondContact O-N 3.27Å; A784-L788 VanDerWaalsContact O-N 3.12Å; P785-L788 PolarHBondContact O-N 2.9Å; L786-L788 VanDerWaalsContact C-N 3.31Å; L788-S791 PolarHBondContact O-N 3.16Å; L788-R792 WeakPolarHBondContact O-CB 3.36Å; L788-R792 VanDerWaalsContact O-CG 3.23Å; L788-R792 WeakPolarHBondContact O-CG 3.47Å; L788-R792 PolarHBondContact O-N 3.46Å; L788-L807 HydrophobicContact CD2-CD2 4.36Å; L788-D819 HydrophobicContact CD1-CB 4.44Å; L788-L820 HydrophobicContact CD2-CD2 3.63Å; L788-L820 HydrophobicContact CG-CD2 4.33Å; L788-E823 HydrophobicContact CD1-CG 3.94Å; L788-E823 HydrophobicContact CD2-CB 3.58Å; L788-E823 HydrophobicContact CD2-CG 3.63Å; L788-E823 HydrophobicContact CG-CG 4.26Å
789	L	88.3	Confident	86.1	Confident	29 Å²	29	45.2 Å²	45.2	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-46.4	176.1	-76.9	165.1	0	0	0	111.8	M754 Y773 P785 L786 S791 R792 L793	M754-L789 HydrophobicContact CB-CD1 3.71Å; M754-L789 HydrophobicContact CG-CD1 3.54Å; M754-L789 HydrophobicContact SD-CD1 3.78Å; Y773-L789 HydrophobicContact CE1-CB 4.13Å; Y773-L789 HydrophobicContact CE1-CD1 4.41Å; Y773-L789 HydrophobicContact CE2-CB 4.22Å; P785-L789 WeakPolarHBondContact O-CG 3.31Å; P785-L789 PolarHBondContact O-N 2.72Å; L786-L789 PolarHBondContact O-N 3.12Å; L789-S791 PolarHBondContact O-N 2.71Å; L789-R792 PolarHBondContact O-N 3.42Å; L789-L793 WeakPolarHBondContact O-CB 3.3Å; L789-L793 PolarHBondContact O-N 3.42Å
790	L	89.4	Confident	86.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-42.2	175.7	-179.8	59.6	0	0	0	112.1	R770 Y773 L777 L786 W787 R792 L793 E794 I806	R770-L790 HydrophobicContact CG-CD1 4.4Å; Y773-L790 HydrophobicContact CD2-CB 4.27Å; Y773-L790 HydrophobicContact CD2-CD1 4.18Å; Y773-L790 HydrophobicContact CG-CB 4.43Å; L777-L790 HydrophobicContact CD1-CB 4.14Å; L777-L790 HydrophobicContact CD1-CD2 3.41Å; L777-L790 VanDerWaalsContact CD1-CD2 3.41Å; L777-L790 HydrophobicContact CD1-CG 4.41Å; L786-L790 PolarHBondContact O-N 3.48Å; L786-L790 VanDerWaalsContact O-N 3.07Å; W787-L790 PolarHBondContact O-N 3.5Å; L790-R792 VanDerWaalsContact C-N 3.35Å; L790-R792 PolarHBondContact O-N 3.2Å; L790-L793 PolarHBondContact O-N 2.85Å; L790-E794 HydrophobicContact CD1-CG 3.96Å; L790-E794 HydrophobicContact CG-CG 4.39Å; L790-E794 VanDerWaalsContact O-CG 3.28Å; L790-E794 WeakPolarHBondContact O-CG 3.27Å; L790-E794 PolarHBondContact O-N 3.31Å; L790-I806 HydrophobicContact CB-CG2 4.5Å; L790-I806 HydrophobicContact CD2-CD1 4.02Å; L790-I806 HydrophobicContact CD2-CG1 4.43Å; L790-I806 HydrophobicContact CD2-CG2 3.83Å; L790-I806 HydrophobicContact CG-CD1 4.07Å; L790-I806 HydrophobicContact CG-CG2 4.05Å
791	S	88.6	Confident	86.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-43	176.6	-175.3	0	0	0	0	112.1	W787 L788 L789 E794 E795 L807	W787-S791 WeakPolarHBondContact O-CB 3.37Å; W787-S791 PolarHBondContact O-N 3.37Å; L788-S791 PolarHBondContact O-N 3.16Å; L789-S791 PolarHBondContact O-N 2.71Å; S791-E794 PolarHBondContact O-N 3.31Å; S791-E795 WeakPolarHBondContact O-CB 3.48Å; S791-E795 PolarHBondContact O-N 3.15Å; S791-L807 WeakPolarHBondContact OG-CD1 3.39Å; S791-L807 WeakPolarHBondContact OG-CG 3.46Å
792	R	87.3	Confident	87.2	Confident	67 Å²	67	51.3 Å²	51.3	25%	0.253	26%	0.26	S	S	.	.	H	α-helix	trans	-69.5	-32.6	178.3	-71.9	168.4	178.3	-164.7	-5.1	112.1	L788 L789 L790 R796 E823 E951	L788-R792 WeakPolarHBondContact O-CB 3.36Å; L788-R792 VanDerWaalsContact O-CG 3.23Å; L788-R792 WeakPolarHBondContact O-CG 3.47Å; L788-R792 PolarHBondContact O-N 3.46Å; L789-R792 PolarHBondContact O-N 3.42Å; L790-R792 VanDerWaalsContact C-N 3.35Å; L790-R792 PolarHBondContact O-N 3.2Å; R792-R796 WeakPolarHBondContact O-CG 3.4Å; R792-R796 PolarHBondContact O-N 3.44Å; R792-E823 IonicContact CZ-OE1 2.69Å; R792-E823 IonicContact CZ-OE2 3.91Å; R792-E823 VanDerWaalsContact CZ-OE2 3.32Å; R792-E823 IonicContact NE-OE2 3.86Å; R792-E823 PolarHBondContact NE-OE2 2.97Å; R792-E823 IonicContact NH2-OE1 2.63Å; R792-E823 PolarHBondContact NH2-OE1 3.31Å; R792-E823 IonicContact NH2-OE2 3.33Å; R792-E823 PolarHBondContact NH2-OE2 3.41Å; R792-E951 IonicContact CZ-OE1 3.52Å; R792-E951 IonicContact NH1-OE1 3.36Å; R792-E951 IonicContact NH2-OE1 3.43Å; R792-E951 PolarHBondContact NH2-OE1 3.44Å
793	L	88.8	Confident	87.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-49.9	172.3	-179.8	62.5	0	0	0	111.2	E761 M766 A769 R770 Y773 L789 L790 E795 R796 V797	E761-L793 HydrophobicContact CG-CD1 3.83Å; M766-L793 HydrophobicContact SD-CD1 3.53Å; M766-L793 VanDerWaalsContact SD-CD1 3.53Å; A769-L793 HydrophobicContact CB-CD2 3.78Å; R770-L793 HydrophobicContact CB-CD2 4.36Å; R770-L793 HydrophobicContact CG-CD2 3.58Å; R770-L793 HydrophobicContact CG-CG 4.24Å; Y773-L793 HydrophobicContact CD2-CD2 3.68Å; Y773-L793 HydrophobicContact CE2-CB 4.22Å; Y773-L793 HydrophobicContact CE2-CD2 3.72Å; L789-L793 WeakPolarHBondContact O-CB 3.3Å; L789-L793 PolarHBondContact O-N 3.42Å; L790-L793 PolarHBondContact O-N 2.85Å; L793-E795 VanDerWaalsContact C-N 3.29Å; L793-E795 PolarHBondContact O-N 2.7Å; L793-R796 PolarHBondContact O-N 2.74Å; L793-V797 VanDerWaalsContact O-CG2 3.3Å; L793-V797 WeakPolarHBondContact O-CG2 3.47Å; L793-V797 PolarHBondContact O-N 2.83Å
794	E	87.7	Confident	87.8	Confident	2 Å²	2	47 Å²	47	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-30.1	-179.7	-63.2	-91.1	-154.8	0	0	111.9	R770 L790 S791 G798 Q799 R802 A803 I806	R770-E794 WeakPolarHBondContact CD-OE1 3.31Å; R770-E794 IonicContact NE-OE2 2.86Å; L790-E794 HydrophobicContact CD1-CG 3.96Å; L790-E794 HydrophobicContact CG-CG 4.39Å; L790-E794 VanDerWaalsContact O-CG 3.28Å; L790-E794 WeakPolarHBondContact O-CG 3.27Å; L790-E794 PolarHBondContact O-N 3.31Å; S791-E794 PolarHBondContact O-N 3.31Å; E794-G798 PolarHBondContact O-N 3.24Å; E794-Q799 PolarHBondContact O-N 3.14Å; E794-R802 VanDerWaalsContact CD-NE 3.31Å; E794-R802 IonicContact OE1-CZ 3.1Å; E794-R802 IonicContact OE1-NE 3.97Å; E794-R802 PolarHBondContact OE1-NE 3.26Å; E794-R802 IonicContact OE1-NH2 2.7Å; E794-R802 PolarHBondContact OE1-NH2 3.45Å; E794-R802 WeakPolarHBondContact OE2-CD 3.4Å; E794-R802 IonicContact OE2-NE 3.96Å; E794-R802 PolarHBondContact OE2-NE 3.23Å; E794-A803 HydrophobicContact CB-CB 3.96Å; E794-I806 HydrophobicContact CB-CD1 4.48Å; E794-I806 HydrophobicContact CG-CD1 3.71Å
795	E	87.3	Confident	88.1	Confident	50 Å²	50	48.4 Å²	48.4	23%	0.234	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-47.7	168.5	-175.7	-175.3	168.6	0	0	112	S791 L793 V797 G798 R830	S791-E795 WeakPolarHBondContact O-CB 3.48Å; S791-E795 PolarHBondContact O-N 3.15Å; L793-E795 VanDerWaalsContact C-N 3.29Å; L793-E795 PolarHBondContact O-N 2.7Å; E795-V797 VanDerWaalsContact C-N 3.3Å; E795-V797 PolarHBondContact O-N 3.45Å; E795-G798 WeakPolarHBondContact O-CA 3.42Å; E795-G798 PolarHBondContact O-N 2.97Å; E795-R830 WeakPolarHBondContact OE1-CD 3.28Å; E795-R830 IonicContact OE1-NE 3.39Å; E795-R830 IonicContact OE1-NH1 3.72Å; E795-R830 PolarHBondContact OE1-NH1 3.21Å; E795-R830 IonicContact OE2-CZ 2.69Å; E795-R830 IonicContact OE2-NH1 3.63Å; E795-R830 PolarHBondContact OE2-NH1 3.18Å
796	R	84.4	Confident	88.3	Confident	168 Å²	168	45.9 Å²	45.9	63%	0.634	23%	0.231	S	C	*	.	H	α-helix	trans	-63.2	-33.8	175.7	-73.5	176.7	-170.4	162.6	5	113.2	E761 R792 L793 G798	E761-R796 IonicContact OE2-CZ 3.2Å; E761-R796 IonicContact OE2-NH1 2.83Å; E761-R796 PolarHBondContact OE2-NH1 3.41Å; R792-R796 WeakPolarHBondContact O-CG 3.4Å; R792-R796 PolarHBondContact O-N 3.44Å; L793-R796 PolarHBondContact O-N 2.74Å; R796-G798 PolarHBondContact O-N 3.01Å
797	V	86.3	Confident	88.3	Confident	50 Å²	50	46 Å²	46	30%	0.303	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.3	173.4	171.1	0	0	0	0	111.8	M766 L793 E795 Q799	M766-V797 HydrophobicContact CB-CG2 4.39Å; L793-V797 VanDerWaalsContact O-CG2 3.3Å; L793-V797 WeakPolarHBondContact O-CG2 3.47Å; L793-V797 PolarHBondContact O-N 2.83Å; E795-V797 VanDerWaalsContact C-N 3.3Å; E795-V797 PolarHBondContact O-N 3.45Å; V797-Q799 HydrophobicContact CG1-CG 4.31Å
798	G	83.9	Confident	88.2	Confident	56 Å²	56	50.3 Å²	50.3	58%	0.577	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-0.3	177	0	0	0	0	0	114.8	E794 E795 R796 L800	E794-G798 PolarHBondContact O-N 3.24Å; E795-G798 WeakPolarHBondContact O-CA 3.42Å; E795-G798 PolarHBondContact O-N 2.97Å; R796-G798 PolarHBondContact O-N 3.01Å; G798-L800 VanDerWaalsContact C-N 3.29Å; G798-L800 PolarHBondContact O-N 2.94Å
799	Q	88	Confident	88.2	Confident	106 Å²	106	55.3 Å²	55.3	50%	0.495	27%	0.273	S	S	.	.			trans	-88.4	64.9	-177.7	-70.2	-65	-20	0	0	111.4	E794 V797 T801 R802 A803	E794-Q799 PolarHBondContact O-N 3.14Å; V797-Q799 HydrophobicContact CG1-CG 4.31Å; Q799-T801 VanDerWaalsContact C-N 3.31Å; Q799-T801 PolarHBondContact O-N 3.46Å; Q799-R802 HydrophobicContact CB-CB 4.05Å; Q799-R802 WeakPolarHBondContact O-CA 3.47Å; Q799-R802 WeakPolarHBondContact O-CB 3.49Å; Q799-R802 PolarHBondContact O-N 3.45Å; Q799-A803 PolarHBondContact O-N 3.43Å
800	L	89.3	Confident	88.2	Confident	47 Å²	47	54 Å²	54	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-34	-171.3	-164.8	144.7	0	0	0	113.7	G798 R802 A803 R804 L827 A831	G798-L800 VanDerWaalsContact C-N 3.29Å; G798-L800 PolarHBondContact O-N 2.94Å; L800-R802 VanDerWaalsContact C-N 3.32Å; L800-R802 PolarHBondContact O-N 2.98Å; L800-A803 PolarHBondContact O-N 2.89Å; L800-R804 HydrophobicContact CD2-CG 4.31Å; L800-R804 VanDerWaalsContact CD2-NH2 3.33Å; L800-R804 WeakPolarHBondContact O-CG 3.16Å; L800-R804 PolarHBondContact O-N 3.47Å; L800-L827 HydrophobicContact CD1-CD2 4.49Å; L800-L827 HydrophobicContact CD2-CD2 3.78Å; L800-L827 HydrophobicContact CG-CD2 3.98Å; L800-A831 HydrophobicContact CD1-CB 3.71Å; L800-A831 HydrophobicContact CD2-CB 4.19Å
801	T	89.9	Confident	87.9	Confident	94 Å²	94	55.5 Å²	55.5	58%	0.577	27%	0.272	S	S	*	.	H	α-helix	trans	-64.5	-35.9	174.3	51	0	0	0	0	112.5	Q799 R804 A805	Q799-T801 VanDerWaalsContact C-N 3.31Å; Q799-T801 PolarHBondContact O-N 3.46Å; T801-R804 WeakPolarHBondContact O-CB 3.47Å; T801-A805 PolarHBondContact O-N 3.44Å; T801-A805 VanDerWaalsContact O-N 3.08Å
802	R	88.3	Confident	87.9	Confident	123 Å²	123	62.3 Å²	62.3	46%	0.464	31%	0.307	S	S	.	.	H	α-helix	trans	-73	-41.4	176.2	-175.7	171.7	169.7	134.5	-1.7	111.1	E794 Q799 L800 A805 I806	E794-R802 VanDerWaalsContact CD-NE 3.31Å; E794-R802 IonicContact OE1-CZ 3.1Å; E794-R802 IonicContact OE1-NE 3.97Å; E794-R802 PolarHBondContact OE1-NE 3.26Å; E794-R802 IonicContact OE1-NH2 2.7Å; E794-R802 PolarHBondContact OE1-NH2 3.45Å; E794-R802 WeakPolarHBondContact OE2-CD 3.4Å; E794-R802 IonicContact OE2-NE 3.96Å; E794-R802 PolarHBondContact OE2-NE 3.23Å; Q799-R802 HydrophobicContact CB-CB 4.05Å; Q799-R802 WeakPolarHBondContact O-CA 3.47Å; Q799-R802 WeakPolarHBondContact O-CB 3.49Å; Q799-R802 PolarHBondContact O-N 3.45Å; L800-R802 VanDerWaalsContact C-N 3.32Å; L800-R802 PolarHBondContact O-N 2.98Å; R802-A805 PolarHBondContact O-N 3.24Å; R802-I806 HydrophobicContact CG-CD1 3.97Å; R802-I806 WeakPolarHBondContact O-CB 3.46Å; R802-I806 WeakPolarHBondContact O-CD1 3.46Å; R802-I806 VanDerWaalsContact O-CG1 3.28Å; R802-I806 WeakPolarHBondContact O-CG1 3.45Å; R802-I806 PolarHBondContact O-N 3.13Å
803	A	88.6	Confident	87.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-45	172.4	0	0	0	0	0	112	E794 Q799 L800 I806 L807 L827	E794-A803 HydrophobicContact CB-CB 3.96Å; Q799-A803 PolarHBondContact O-N 3.43Å; L800-A803 PolarHBondContact O-N 2.89Å; A803-I806 PolarHBondContact O-N 2.9Å; A803-L807 PolarHBondContact O-N 3.25Å; A803-L827 HydrophobicContact CB-CD1 3.71Å
804	R	89	Confident	87.5	Confident	69 Å²	69	66.2 Å²	66.2	26%	0.26	33%	0.327	S	S	.	.	H	α-helix	trans	-52.9	-56.7	169.3	-74.5	176.7	178.1	136	6.7	111.6	L800 T801 I806 L807 E808 L827 E828	L800-R804 HydrophobicContact CD2-CG 4.31Å; L800-R804 VanDerWaalsContact CD2-NH2 3.33Å; L800-R804 WeakPolarHBondContact O-CG 3.16Å; L800-R804 PolarHBondContact O-N 3.47Å; T801-R804 WeakPolarHBondContact O-CB 3.47Å; R804-I806 PolarHBondContact O-N 2.92Å; R804-L807 CarbonylContact O-C 3.53Å; R804-L807 PolarHBondContact O-N 3.38Å; R804-E808 WeakPolarHBondContact O-CG 3.32Å; R804-E808 PolarHBondContact O-N 3.3Å; R804-L827 HydrophobicContact CG-CD2 3.74Å; R804-E828 WeakPolarHBondContact CD-OE1 3.37Å; R804-E828 WeakPolarHBondContact CG-OE1 3.41Å; R804-E828 IonicContact CZ-OE1 2.7Å; R804-E828 IonicContact CZ-OE2 2.88Å; R804-E828 IonicContact NE-OE1 2.7Å; R804-E828 PolarHBondContact NE-OE1 3.45Å; R804-E828 IonicContact NE-OE2 3.77Å; R804-E828 PolarHBondContact NE-OE2 3.27Å; R804-E828 IonicContact NH2-OE1 3.17Å; R804-E828 IonicContact NH2-OE2 3.19Å; R804-E828 PolarHBondContact NH2-OE2 3.19Å
805	A	91.4	Very high	87	Confident	43 Å²	43	70.3 Å²	70.3	36%	0.355	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-30.1	-177.5	0	0	0	0	0	113.2	T801 R802 K809	T801-A805 PolarHBondContact O-N 3.44Å; T801-A805 VanDerWaalsContact O-N 3.08Å; R802-A805 PolarHBondContact O-N 3.24Å; A805-K809 WeakPolarHBondContact O-CB 3.43Å; A805-K809 VanDerWaalsContact O-CG 3.24Å; A805-K809 WeakPolarHBondContact O-CG 3.39Å; A805-K809 PolarHBondContact O-N 3.02Å; A805-K809 VanDerWaalsContact O-N 3.08Å
806	I	90.4	Very high	86.5	Confident	13 Å²	13	74.2 Å²	74.2	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-71	-45.1	173.6	-72.5	162.2	0	0	0	110.7	W787 L790 E794 R802 A803 R804 K809 A810	W787-I806 HydrophobicContact CE3-CG2 3.83Å; W787-I806 HydrophobicContact CZ3-CG2 4.11Å; L790-I806 HydrophobicContact CB-CG2 4.5Å; L790-I806 HydrophobicContact CD2-CD1 4.02Å; L790-I806 HydrophobicContact CD2-CG1 4.43Å; L790-I806 HydrophobicContact CD2-CG2 3.83Å; L790-I806 HydrophobicContact CG-CD1 4.07Å; L790-I806 HydrophobicContact CG-CG2 4.05Å; E794-I806 HydrophobicContact CB-CD1 4.48Å; E794-I806 HydrophobicContact CG-CD1 3.71Å; R802-I806 HydrophobicContact CG-CD1 3.97Å; R802-I806 WeakPolarHBondContact O-CB 3.46Å; R802-I806 WeakPolarHBondContact O-CD1 3.46Å; R802-I806 VanDerWaalsContact O-CG1 3.28Å; R802-I806 WeakPolarHBondContact O-CG1 3.45Å; R802-I806 PolarHBondContact O-N 3.13Å; A803-I806 PolarHBondContact O-N 2.9Å; R804-I806 PolarHBondContact O-N 2.92Å; I806-K809 PolarHBondContact O-N 3.28Å; I806-A810 WeakPolarHBondContact O-CB 3.36Å; I806-A810 PolarHBondContact O-N 3.21Å
807	L	88.7	Confident	86.3	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-66	-34.9	173.7	-68.9	-178.6	0	0	0	112.8	L788 S791 A803 R804 A810 R811 L827	L788-L807 HydrophobicContact CD2-CD2 4.36Å; S791-L807 WeakPolarHBondContact OG-CD1 3.39Å; S791-L807 WeakPolarHBondContact OG-CG 3.46Å; A803-L807 PolarHBondContact O-N 3.25Å; R804-L807 CarbonylContact O-C 3.53Å; R804-L807 PolarHBondContact O-N 3.38Å; L807-A810 WeakPolarHBondContact O-CB 3.43Å; L807-A810 PolarHBondContact O-N 3.24Å; L807-R811 WeakPolarHBondContact O-CG 3.09Å; L807-R811 PolarHBondContact O-N 3.22Å; L807-L827 HydrophobicContact CD1-CB 4.4Å; L807-L827 HydrophobicContact CD1-CD1 3.89Å
808	E	88.6	Confident	86.3	Confident	112 Å²	112	66.6 Å²	66.6	52%	0.523	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-44.3	174.3	-55.1	-134.9	118.9	0	0	111.2	R804 A810 R811 L812	R804-E808 WeakPolarHBondContact O-CG 3.32Å; R804-E808 PolarHBondContact O-N 3.3Å; E808-A810 VanDerWaalsContact C-N 3.3Å; E808-A810 PolarHBondContact O-N 3.16Å; E808-R811 PolarHBondContact O-N 3.14Å; E808-R811 IonicContact OE1-CZ 3.12Å; E808-R811 IonicContact OE1-NH2 3.03Å; E808-R811 PolarHBondContact OE1-NH2 2.85Å; E808-L812 WeakPolarHBondContact O-CB 3.26Å; E808-L812 PolarHBondContact O-N 3.26Å
809	K	88.9	Confident	86.4	Confident	130 Å²	130	67.5 Å²	67.5	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-60.6	-39.2	171.3	-74.7	170	-176.6	178.8	0	111.8	W787 A805 I806 L812 K813	W787-K809 HydrophobicContact CH2-CB 4.36Å; W787-K809 HydrophobicContact CZ3-CB 4.27Å; A805-K809 WeakPolarHBondContact O-CB 3.43Å; A805-K809 VanDerWaalsContact O-CG 3.24Å; A805-K809 WeakPolarHBondContact O-CG 3.39Å; A805-K809 PolarHBondContact O-N 3.02Å; A805-K809 VanDerWaalsContact O-N 3.08Å; I806-K809 PolarHBondContact O-N 3.28Å; K809-L812 PolarHBondContact O-N 3.02Å; K809-K813 WeakPolarHBondContact O-CB 3.43Å; K809-K813 WeakPolarHBondContact O-CG 3.47Å; K809-K813 PolarHBondContact O-N 3.29Å
810	A	86.8	Confident	86.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-48.1	177.2	0	0	0	0	0	111.5	W787 I806 L807 E808 L812 K813 N814 L820	W787-A810 HydrophobicContact CB-CB 3.8Å; W787-A810 HydrophobicContact CD2-CB 3.32Å; W787-A810 HydrophobicContact CE3-CB 3.5Å; W787-A810 VanDerWaalsContact CE3-CB 3.5Å; W787-A810 HydrophobicContact CG-CB 3.49Å; W787-A810 VanDerWaalsContact CG-CB 3.49Å; W787-A810 HydrophobicContact CZ3-CB 4.22Å; I806-A810 WeakPolarHBondContact O-CB 3.36Å; I806-A810 PolarHBondContact O-N 3.21Å; L807-A810 WeakPolarHBondContact O-CB 3.43Å; L807-A810 PolarHBondContact O-N 3.24Å; E808-A810 VanDerWaalsContact C-N 3.3Å; E808-A810 PolarHBondContact O-N 3.16Å; A810-L812 VanDerWaalsContact C-N 3.32Å; A810-L812 PolarHBondContact O-N 2.99Å; A810-K813 PolarHBondContact O-N 3.33Å; A810-N814 PolarHBondContact O-N 2.84Å; A810-L820 HydrophobicContact CB-CD1 3.62Å; A810-L820 HydrophobicContact CB-CD2 4.28Å; A810-L820 WeakPolarHBondContact O-CD1 3.33Å
811	R	84.5	Confident	86.5	Confident	33 Å²	33	60.9 Å²	60.9	13%	0.125	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-36.2	175.5	-67.7	-175.9	-48.6	-143.5	3.6	112.4	L807 E808 N814 P815 L820 S824	L807-R811 WeakPolarHBondContact O-CG 3.09Å; L807-R811 PolarHBondContact O-N 3.22Å; E808-R811 PolarHBondContact O-N 3.14Å; E808-R811 IonicContact OE1-CZ 3.12Å; E808-R811 IonicContact OE1-NH2 3.03Å; E808-R811 PolarHBondContact OE1-NH2 2.85Å; R811-N814 CarbonylContact O-C 3.59Å; R811-N814 VanDerWaalsContact O-C 3.3Å; R811-P815 WeakPolarHBondContact O-CA 3.3Å; R811-L820 HydrophobicContact CG-CB 4.22Å; R811-S824 VanDerWaalsContact NH1-CB 3.29Å; R811-S824 PolarHBondContact NH1-OG 3.16Å
812	L	88.4	Confident	86.5	Confident	143 Å²	143	56.9 Å²	56.9	75%	0.749	28%	0.28	S	S	*	.	H	α-helix	trans	-70.7	-36.1	175.5	-175.2	65.4	0	0	0	112.6	E808 K809 A810	E808-L812 WeakPolarHBondContact O-CB 3.26Å; E808-L812 PolarHBondContact O-N 3.26Å; K809-L812 PolarHBondContact O-N 3.02Å; A810-L812 VanDerWaalsContact C-N 3.32Å; A810-L812 PolarHBondContact O-N 2.99Å
813	K	84.9	Confident	86.4	Confident	132 Å²	132	51.1 Å²	51.1	57%	0.574	26%	0.258	S	S	*	.	H	α-helix	trans	-77.7	-33.5	177.9	-75	-66.7	-174.5	-179.2	0	113.1	W787 K809 A810	W787-K813 HydrophobicContact CZ2-CB 4.34Å; W787-K813 HydrophobicContact CZ2-CG 4.34Å; K809-K813 WeakPolarHBondContact O-CB 3.43Å; K809-K813 WeakPolarHBondContact O-CG 3.47Å; K809-K813 PolarHBondContact O-N 3.29Å; A810-K813 PolarHBondContact O-N 3.33Å
814	N	81.3	Confident	86.4	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.091	26%	0.259	C	S	.	.	S	Bend	trans	-126.3	74.5	177.6	-56	-29.1	0	0	0	110	P781 H782 A810 R811 S817 L820	P781-N814 PolarHBondContact O-ND2 2.83Å; P781-N814 PolarHBondContact O-OD1 3.14Å; H782-N814 WeakPolarHBondContact CA-OD1 3.33Å; H782-N814 PolarHBondContact ND1-OD1 3.13Å; A810-N814 PolarHBondContact O-N 2.84Å; R811-N814 CarbonylContact O-C 3.59Å; R811-N814 VanDerWaalsContact O-C 3.3Å; N814-S817 PolarHBondContact O-OG 3.12Å; N814-L820 HydrophobicContact CB-CD1 4.06Å
815	P	78.2	Confident	86.5	Confident	88 Å²	88	48 Å²	48	57%	0.571	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	149.3	174.3	-23.5	34.4	0	0	0	111.2	R811 S817	R811-P815 WeakPolarHBondContact O-CA 3.3Å; P815-S817 PolarHBondContact O-N 3.06Å; P815-S817 VanDerWaalsContact O-N 3.15Å
816	Q	77	Confident	86.3	Confident	133 Å²	133	48.2 Å²	48.2	62%	0.621	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	13.1	174.7	-53.5	178.2	-15.1	0	0	116.8	P818 C848	Q816-P818 VanDerWaalsContact O-CD 3.29Å; Q816-P818 WeakPolarHBondContact O-CD 3.37Å; Q816-C848 PolarHBondContact O-SG 3.37Å
817	S	80.7	Confident	86.3	Confident	23 Å²	23	47.7 Å²	47.7	16%	0.161	24%	0.236	C	C	.	.			trans	-81.3	116.6	172.5	55.2	0	0	0	0	111.4	N814 P815 D819 L820 W821	N814-S817 PolarHBondContact O-OG 3.12Å; P815-S817 PolarHBondContact O-N 3.06Å; P815-S817 VanDerWaalsContact O-N 3.15Å; S817-D819 PolarHBondContact O-N 2.97Å; S817-L820 PolarHBondContact O-N 3.46Å; S817-L820 WeakPolarHBondContact OG-CD1 3.3Å; S817-L820 VanDerWaalsContact OG-CG 3.3Å; S817-L820 WeakPolarHBondContact OG-CG 3.29Å; S817-W821 PolarHBondContact O-N 2.92Å
818	P	85.5	Confident	86.4	Confident	34 Å²	34	48.2 Å²	48.2	22%	0.221	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-29.2	-172	-20.9	35	0	0	0	114	Q816 L820 W821 L822 C848 S851 I853 L854	Q816-P818 VanDerWaalsContact O-CD 3.29Å; Q816-P818 WeakPolarHBondContact O-CD 3.37Å; P818-L820 PolarHBondContact O-N 3.4Å; P818-W821 PolarHBondContact O-N 3.03Å; P818-L822 WeakPolarHBondContact O-CB 3.34Å; P818-L822 PolarHBondContact O-N 3.38Å; P818-C848 HydrophobicContact CG-CB 4.46Å; P818-S851 WeakPolarHBondContact CB-OG 3.36Å; P818-S851 WeakPolarHBondContact CG-OG 3.25Å; P818-I853 HydrophobicContact CB-CD1 3.99Å; P818-I853 HydrophobicContact CB-CG1 4.06Å; P818-L854 HydrophobicContact CB-CD1 3.86Å; P818-L854 HydrophobicContact CB-CG 4.03Å
819	D	85.7	Confident	86.4	Confident	76 Å²	76	46.6 Å²	46.6	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-60.3	-41.8	177.3	-63.8	-48.8	0	0	0	112.6	L788 S817 L822 E823 I853	L788-D819 HydrophobicContact CD1-CB 4.44Å; S817-D819 PolarHBondContact O-N 2.97Å; D819-L822 PolarHBondContact O-N 3.49Å; D819-E823 PolarHBondContact O-N 2.98Å; D819-I853 VanDerWaalsContact OD1-CD1 3.23Å; D819-I853 WeakPolarHBondContact OD1-CD1 3.47Å
820	L	89.1	Confident	86.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-38.7	178.9	-62.1	-170.2	0	0	0	111.3	A784 W787 L788 A810 R811 N814 S817 P818 S824	A784-L820 HydrophobicContact CB-CD2 3.89Å; A784-L820 HydrophobicContact CB-CG 4.07Å; W787-L820 HydrophobicContact CB-CD2 3.85Å; L788-L820 HydrophobicContact CD2-CD2 3.63Å; L788-L820 HydrophobicContact CG-CD2 4.33Å; A810-L820 HydrophobicContact CB-CD1 3.62Å; A810-L820 HydrophobicContact CB-CD2 4.28Å; A810-L820 WeakPolarHBondContact O-CD1 3.33Å; R811-L820 HydrophobicContact CG-CB 4.22Å; N814-L820 HydrophobicContact CB-CD1 4.06Å; S817-L820 PolarHBondContact O-N 3.46Å; S817-L820 WeakPolarHBondContact OG-CD1 3.3Å; S817-L820 VanDerWaalsContact OG-CG 3.3Å; S817-L820 WeakPolarHBondContact OG-CG 3.29Å; P818-L820 PolarHBondContact O-N 3.4Å; L820-S824 WeakPolarHBondContact O-CB 3.41Å; L820-S824 PolarHBondContact O-N 2.98Å; L820-S824 PolarHBondContact O-OG 2.93Å
821	W	89.9	Confident	86.3	Confident	13 Å²	13	47.3 Å²	47.3	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-49.4	173.2	-87.9	119	0	0	0	111.3	S817 P818 E823 S824 V825 L840 K843 A844 E847 L854	S817-W821 PolarHBondContact O-N 2.92Å; P818-W821 PolarHBondContact O-N 3.03Å; W821-E823 PolarHBondContact O-N 2.87Å; W821-S824 PolarHBondContact O-N 2.84Å; W821-S824 PolarHBondContact O-OG 3.41Å; W821-V825 WeakPolarHBondContact O-CG2 3.39Å; W821-V825 PolarHBondContact O-N 2.86Å; W821-L840 HydrophobicContact CZ3-CD2 4.25Å; W821-K843 HydrophobicContact CH2-CB 4.07Å; W821-K843 HydrophobicContact CZ3-CB 4.29Å; W821-A844 HydrophobicContact CB-CB 3.73Å; W821-A844 HydrophobicContact CD2-CB 3.67Å; W821-A844 HydrophobicContact CE3-CB 3.76Å; W821-A844 HydrophobicContact CG-CB 3.68Å; W821-E847 WeakPolarHBondContact CZ2-OE1 3.36Å; W821-E847 WeakPolarHBondContact CZ2-OE2 3.21Å; W821-E847 PolarHBondContact NE1-OE2 2.86Å; W821-L854 HydrophobicContact CB-CD1 4.38Å; W821-L854 HydrophobicContact CB-CD2 3.85Å
822	L	89.6	Confident	86.4	Confident	11 Å²	11	48 Å²	48	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-47.9	179.2	171.9	153.8	0	0	0	112.2	P818 D819 S824 V825 R826 I853 L854	P818-L822 WeakPolarHBondContact O-CB 3.34Å; P818-L822 PolarHBondContact O-N 3.38Å; D819-L822 PolarHBondContact O-N 3.49Å; L822-S824 VanDerWaalsContact C-N 3.33Å; L822-S824 PolarHBondContact O-N 3.1Å; L822-V825 PolarHBondContact O-N 2.93Å; L822-R826 WeakPolarHBondContact O-CG 3.22Å; L822-R826 PolarHBondContact O-N 2.95Å; L822-I853 HydrophobicContact CD1-CB 3.82Å; L822-I853 HydrophobicContact CD1-CD1 4.13Å; L822-I853 HydrophobicContact CD1-CG1 4.15Å; L822-L854 HydrophobicContact CB-CD2 3.93Å
823	E	87.2	Confident	86.6	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-30.7	177.1	-81.8	-67.1	116.4	0	0	112.8	L788 R792 D819 W821 V825 R826 L827 R830	L788-E823 HydrophobicContact CD1-CG 3.94Å; L788-E823 HydrophobicContact CD2-CB 3.58Å; L788-E823 HydrophobicContact CD2-CG 3.63Å; L788-E823 HydrophobicContact CG-CG 4.26Å; R792-E823 IonicContact CZ-OE1 2.69Å; R792-E823 IonicContact CZ-OE2 3.91Å; R792-E823 VanDerWaalsContact CZ-OE2 3.32Å; R792-E823 IonicContact NE-OE2 3.86Å; R792-E823 PolarHBondContact NE-OE2 2.97Å; R792-E823 IonicContact NH2-OE1 2.63Å; R792-E823 PolarHBondContact NH2-OE1 3.31Å; R792-E823 IonicContact NH2-OE2 3.33Å; R792-E823 PolarHBondContact NH2-OE2 3.41Å; D819-E823 PolarHBondContact O-N 2.98Å; W821-E823 PolarHBondContact O-N 2.87Å; E823-V825 VanDerWaalsContact C-N 3.34Å; E823-R826 PolarHBondContact O-N 2.71Å; E823-R826 VanDerWaalsContact OE1-CD 3.23Å; E823-R826 WeakPolarHBondContact OE1-CD 3.33Å; E823-R826 IonicContact OE1-CZ 3.57Å; E823-R826 IonicContact OE1-NE 3.36Å; E823-R826 IonicContact OE1-NH1 3.5Å; E823-R826 PolarHBondContact OE1-NH1 2.86Å; E823-L827 VanDerWaalsContact O-CB 3.32Å; E823-L827 WeakPolarHBondContact O-CB 3.14Å; E823-L827 PolarHBondContact O-N 2.87Å; E823-R830 IonicContact OE1-NH2 2.69Å; E823-R830 PolarHBondContact OE1-NH2 3.12Å; E823-R830 VanDerWaalsContact OE1-NH2 3.1Å; E823-R830 IonicContact OE2-CZ 2.84Å; E823-R830 IonicContact OE2-NH1 3.3Å; E823-R830 IonicContact OE2-NH2 3.3Å; E823-R830 PolarHBondContact OE2-NH2 3.34Å
824	S	88.4	Confident	86.7	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.028	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-38.4	172.7	76.3	0	0	0	0	112.4	R811 L820 W821 L822 E828	R811-S824 VanDerWaalsContact NH1-CB 3.29Å; R811-S824 PolarHBondContact NH1-OG 3.16Å; L820-S824 WeakPolarHBondContact O-CB 3.41Å; L820-S824 PolarHBondContact O-N 2.98Å; L820-S824 PolarHBondContact O-OG 2.93Å; W821-S824 PolarHBondContact O-N 2.84Å; W821-S824 PolarHBondContact O-OG 3.41Å; L822-S824 VanDerWaalsContact C-N 3.33Å; L822-S824 PolarHBondContact O-N 3.1Å; S824-E828 PolarHBondContact O-N 3.33Å
825	V	90.6	Very high	87.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-43	174.9	172.6	0	0	0	0	111.1	W821 L822 E823 E828 Y829 A837 L840 M841 L861	W821-V825 WeakPolarHBondContact O-CG2 3.39Å; W821-V825 PolarHBondContact O-N 2.86Å; L822-V825 PolarHBondContact O-N 2.93Å; E823-V825 VanDerWaalsContact C-N 3.34Å; V825-E828 PolarHBondContact O-N 3.46Å; V825-Y829 PolarHBondContact O-N 2.73Å; V825-A837 HydrophobicContact CG1-CB 4.13Å; V825-L840 HydrophobicContact CG2-CB 3.83Å; V825-M841 HydrophobicContact CB-CE 4.37Å; V825-M841 HydrophobicContact CG1-CB 4.21Å; V825-M841 HydrophobicContact CG1-CE 4.03Å; V825-M841 HydrophobicContact CG2-CB 4.05Å; V825-M841 HydrophobicContact CG2-CE 4.24Å; V825-L861 HydrophobicContact CG1-CD1 3.38Å
826	R	88.8	Confident	87.7	Confident	47 Å²	47	49 Å²	49	18%	0.177	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-34.4	177.4	-73.1	178.7	179.4	171.9	-0.9	113.3	L822 E823 Y829 R830 E857 E951	L822-R826 WeakPolarHBondContact O-CG 3.22Å; L822-R826 PolarHBondContact O-N 2.95Å; E823-R826 PolarHBondContact O-N 2.71Å; E823-R826 VanDerWaalsContact OE1-CD 3.23Å; E823-R826 WeakPolarHBondContact OE1-CD 3.33Å; E823-R826 IonicContact OE1-CZ 3.57Å; E823-R826 IonicContact OE1-NE 3.36Å; E823-R826 IonicContact OE1-NH1 3.5Å; E823-R826 PolarHBondContact OE1-NH1 2.86Å; R826-Y829 PolarHBondContact O-N 3.05Å; R826-R830 WeakPolarHBondContact O-CB 3.31Å; R826-R830 VanDerWaalsContact O-CG 3.28Å; R826-R830 WeakPolarHBondContact O-CG 3.45Å; R826-R830 PolarHBondContact O-N 3.35Å; R826-E857 HydrophobicContact CG-CG 4.41Å; R826-E857 IonicContact CZ-OE2 3.71Å; R826-E857 IonicContact NE-OE2 3.98Å; R826-E857 PolarHBondContact NE-OE2 3.12Å; R826-E857 IonicContact NH2-OE2 2.75Å; R826-E857 PolarHBondContact NH2-OE2 2.68Å; R826-E951 IonicContact CZ-OE2 3.96Å; R826-E951 IonicContact NH1-OE1 3.99Å; R826-E951 PolarHBondContact NH1-OE1 2.91Å; R826-E951 IonicContact NH1-OE2 3.76Å; R826-E951 PolarHBondContact NH1-OE2 2.97Å; R826-E951 IonicContact NH2-OE2 2.6Å; R826-E951 PolarHBondContact NH2-OE2 2.84Å
827	L	90.2	Very high	88.4	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-47.8	173.5	-176.3	155.3	0	0	0	110.2	L800 A803 R804 L807 E823 Y829 R830 A831	L800-L827 HydrophobicContact CD1-CD2 4.49Å; L800-L827 HydrophobicContact CD2-CD2 3.78Å; L800-L827 HydrophobicContact CG-CD2 3.98Å; A803-L827 HydrophobicContact CB-CD1 3.71Å; R804-L827 HydrophobicContact CG-CD2 3.74Å; L807-L827 HydrophobicContact CD1-CB 4.4Å; L807-L827 HydrophobicContact CD1-CD1 3.89Å; E823-L827 VanDerWaalsContact O-CB 3.32Å; E823-L827 WeakPolarHBondContact O-CB 3.14Å; E823-L827 PolarHBondContact O-N 2.87Å; L827-Y829 VanDerWaalsContact C-N 3.3Å; L827-Y829 PolarHBondContact O-N 2.81Å; L827-R830 PolarHBondContact O-N 3.39Å; L827-A831 WeakPolarHBondContact O-CB 3.35Å; L827-A831 PolarHBondContact O-N 2.85Å
828	E	89.3	Confident	88.9	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-35.3	174.6	-62.1	-49.2	150.2	0	0	112.9	R804 S824 V825 A831 G832 L833 I836 A837 L840	R804-E828 WeakPolarHBondContact CD-OE1 3.37Å; R804-E828 WeakPolarHBondContact CG-OE1 3.41Å; R804-E828 IonicContact CZ-OE1 2.7Å; R804-E828 IonicContact CZ-OE2 2.88Å; R804-E828 IonicContact NE-OE1 2.7Å; R804-E828 PolarHBondContact NE-OE1 3.45Å; R804-E828 IonicContact NE-OE2 3.77Å; R804-E828 PolarHBondContact NE-OE2 3.27Å; R804-E828 IonicContact NH2-OE1 3.17Å; R804-E828 IonicContact NH2-OE2 3.19Å; R804-E828 PolarHBondContact NH2-OE2 3.19Å; S824-E828 PolarHBondContact O-N 3.33Å; V825-E828 PolarHBondContact O-N 3.46Å; E828-A831 WeakPolarHBondContact O-CB 3.49Å; E828-A831 PolarHBondContact O-N 3.39Å; E828-G832 PolarHBondContact O-N 2.74Å; E828-L833 PolarHBondContact O-N 3.28Å; E828-I836 HydrophobicContact CG-CB 4.47Å; E828-I836 HydrophobicContact CG-CG2 4.05Å; E828-A837 HydrophobicContact CB-CB 3.84Å; E828-L840 HydrophobicContact CG-CD1 3.6Å
829	Y	88.9	Confident	89.3	Confident	78 Å²	78	46.6 Å²	46.6	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-67.3	-43.4	176.4	-170.9	-99	0	0	0	112.4	V825 R826 L827 A831 G832 K834 F860 L861	V825-Y829 PolarHBondContact O-N 2.73Å; R826-Y829 PolarHBondContact O-N 3.05Å; L827-Y829 VanDerWaalsContact C-N 3.3Å; L827-Y829 PolarHBondContact O-N 2.81Å; Y829-A831 VanDerWaalsContact C-N 3.31Å; Y829-A831 PolarHBondContact O-N 2.83Å; Y829-G832 PolarHBondContact O-N 2.62Å; Y829-K834 HydrophobicContact CD2-CG 4.03Å; Y829-K834 HydrophobicContact CE2-CD 4.16Å; Y829-K834 HydrophobicContact CE2-CG 4Å; Y829-F860 HydrophobicContact CE1-CE1 4.3Å; Y829-L861 HydrophobicContact CD2-CD2 3.41Å; Y829-L861 VanDerWaalsContact CD2-CD2 3.41Å; Y829-L861 HydrophobicContact CE2-CD2 3.9Å; Y829-L861 HydrophobicContact CG-CD2 4.05Å
830	R	87.7	Confident	89.5	Confident	109 Å²	109	43.8 Å²	43.8	41%	0.411	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-35.9	173	-67.9	172.4	-156	146.1	10.2	111.5	E795 E823 R826 L827 G832	E795-R830 WeakPolarHBondContact OE1-CD 3.28Å; E795-R830 IonicContact OE1-NE 3.39Å; E795-R830 IonicContact OE1-NH1 3.72Å; E795-R830 PolarHBondContact OE1-NH1 3.21Å; E795-R830 IonicContact OE2-CZ 2.69Å; E795-R830 IonicContact OE2-NH1 3.63Å; E795-R830 PolarHBondContact OE2-NH1 3.18Å; E823-R830 IonicContact OE1-NH2 2.69Å; E823-R830 PolarHBondContact OE1-NH2 3.12Å; E823-R830 VanDerWaalsContact OE1-NH2 3.1Å; E823-R830 IonicContact OE2-CZ 2.84Å; E823-R830 IonicContact OE2-NH1 3.3Å; E823-R830 IonicContact OE2-NH2 3.3Å; E823-R830 PolarHBondContact OE2-NH2 3.34Å; R826-R830 WeakPolarHBondContact O-CB 3.31Å; R826-R830 VanDerWaalsContact O-CG 3.28Å; R826-R830 WeakPolarHBondContact O-CG 3.45Å; R826-R830 PolarHBondContact O-N 3.35Å; L827-R830 PolarHBondContact O-N 3.39Å; R830-G832 PolarHBondContact O-N 3.29Å
831	A	86.6	Confident	89.5	Confident	36 Å²	36	44 Å²	44	30%	0.298	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.6	172.4	0	0	0	0	0	114.2	L800 L827 E828 Y829 L833	L800-A831 HydrophobicContact CD1-CB 3.71Å; L800-A831 HydrophobicContact CD2-CB 4.19Å; L827-A831 WeakPolarHBondContact O-CB 3.35Å; L827-A831 PolarHBondContact O-N 2.85Å; E828-A831 WeakPolarHBondContact O-CB 3.49Å; E828-A831 PolarHBondContact O-N 3.39Å; Y829-A831 VanDerWaalsContact C-N 3.31Å; Y829-A831 PolarHBondContact O-N 2.83Å; A831-L833 VanDerWaalsContact C-N 3.28Å; A831-L833 HydrophobicContact CB-CG 4.49Å; A831-L833 PolarHBondContact O-N 2.82Å
832	G	86.4	Confident	89.6	Confident	49 Å²	49	45.9 Å²	45.9	51%	0.505	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-3.6	-175.8	0	0	0	0	0	115.1	E828 Y829 R830 K834	E828-G832 PolarHBondContact O-N 2.74Å; Y829-G832 PolarHBondContact O-N 2.62Å; R830-G832 PolarHBondContact O-N 3.29Å; G832-K834 PolarHBondContact O-N 3.47Å
833	L	91.6	Very high	89.6	Confident	73 Å²	73	50.8 Å²	50.8	38%	0.382	27%	0.269	S	S	.	.			trans	-83.5	58.7	-177.5	-59.2	-170.9	0	0	0	112.2	E828 A831 N835 I836 A837	E828-L833 PolarHBondContact O-N 3.28Å; A831-L833 VanDerWaalsContact C-N 3.28Å; A831-L833 HydrophobicContact CB-CG 4.49Å; A831-L833 PolarHBondContact O-N 2.82Å; L833-N835 PolarHBondContact O-N 3.04Å; L833-N835 VanDerWaalsContact O-N 3.12Å; L833-I836 HydrophobicContact CB-CB 4.27Å; L833-I836 HydrophobicContact CB-CD1 4.22Å; L833-I836 HydrophobicContact CB-CG1 4.23Å; L833-I836 HydrophobicContact CD1-CD1 3.74Å; L833-I836 PolarHBondContact O-N 3.09Å; L833-A837 PolarHBondContact O-N 3.47Å
834	K	88.6	Confident	89.7	Confident	115 Å²	115	50.7 Å²	50.7	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-52.5	-36.4	-176.5	-62.4	-177.8	-179	179.1	0	113.9	Y829 G832 A837 N838	Y829-K834 HydrophobicContact CD2-CG 4.03Å; Y829-K834 HydrophobicContact CE2-CD 4.16Å; Y829-K834 HydrophobicContact CE2-CG 4Å; G832-K834 PolarHBondContact O-N 3.47Å; K834-A837 WeakPolarHBondContact O-CB 3.06Å; K834-A837 PolarHBondContact O-N 3.31Å; K834-N838 PolarHBondContact O-N 3.15Å
835	N	90.2	Very high	89.8	Confident	135 Å²	135	51.5 Å²	51.5	72%	0.722	27%	0.273	S	S	*	.	H	α-helix	trans	-64.3	-44.2	177.9	-62.6	-8.6	0	0	0	111.2	L833 N838 T839	L833-N835 PolarHBondContact O-N 3.04Å; L833-N835 VanDerWaalsContact O-N 3.12Å; N835-N838 PolarHBondContact O-N 2.84Å; N835-T839 WeakPolarHBondContact O-CG2 3.26Å; N835-T839 PolarHBondContact O-N 2.79Å; N835-T839 VanDerWaalsContact O-N 3.07Å
836	I	90.1	Very high	89.7	Confident	76 Å²	76	59 Å²	59	39%	0.39	31%	0.307	S	S	.	.	H	α-helix	trans	-67.3	-44.7	177.7	-54.3	-173	0	0	0	109.5	E828 L833 N838 T839 L840	E828-I836 HydrophobicContact CG-CB 4.47Å; E828-I836 HydrophobicContact CG-CG2 4.05Å; L833-I836 HydrophobicContact CB-CB 4.27Å; L833-I836 HydrophobicContact CB-CD1 4.22Å; L833-I836 HydrophobicContact CB-CG1 4.23Å; L833-I836 HydrophobicContact CD1-CD1 3.74Å; L833-I836 PolarHBondContact O-N 3.09Å; I836-N838 VanDerWaalsContact C-N 3.3Å; I836-N838 PolarHBondContact O-N 2.89Å; I836-T839 PolarHBondContact O-N 3.05Å; I836-T839 PolarHBondContact O-OG1 3.26Å; I836-L840 HydrophobicContact CG2-CD1 4.19Å; I836-L840 HydrophobicContact CG2-CG 4.21Å; I836-L840 WeakPolarHBondContact O-CG 3.31Å; I836-L840 PolarHBondContact O-N 2.74Å
837	A	91.8	Very high	89.5	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-51.6	-46.7	173.8	0	0	0	0	0	112.2	V825 E828 L833 K834 L840 M841	V825-A837 HydrophobicContact CG1-CB 4.13Å; E828-A837 HydrophobicContact CB-CB 3.84Å; L833-A837 PolarHBondContact O-N 3.47Å; K834-A837 WeakPolarHBondContact O-CB 3.06Å; K834-A837 PolarHBondContact O-N 3.31Å; A837-L840 PolarHBondContact O-N 3.1Å; A837-M841 WeakPolarHBondContact O-CB 3.5Å; A837-M841 PolarHBondContact O-N 3.28Å
838	N	90.4	Very high	89.1	Confident	63 Å²	63	61.5 Å²	61.5	34%	0.337	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-40.4	176.1	-78.7	-7.1	0	0	0	113.1	K834 N835 I836 M841 A842 L861	K834-N838 PolarHBondContact O-N 3.15Å; N835-N838 PolarHBondContact O-N 2.84Å; I836-N838 VanDerWaalsContact C-N 3.3Å; I836-N838 PolarHBondContact O-N 2.89Å; N838-M841 PolarHBondContact O-N 3.36Å; N838-A842 PolarHBondContact O-N 2.77Å; N838-L861 WeakPolarHBondContact OD1-CB 3.45Å
839	T	93.6	Very high	88.9	Confident	78 Å²	78	63.4 Å²	63.4	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-68.7	-34.8	175.8	64.2	0	0	0	0	113	N835 I836 A842 K843	N835-T839 WeakPolarHBondContact O-CG2 3.26Å; N835-T839 PolarHBondContact O-N 2.79Å; N835-T839 VanDerWaalsContact O-N 3.07Å; I836-T839 PolarHBondContact O-N 3.05Å; I836-T839 PolarHBondContact O-OG1 3.26Å; T839-A842 PolarHBondContact O-N 3.48Å; T839-K843 WeakPolarHBondContact O-CG 3.28Å; T839-K843 PolarHBondContact O-N 3.43Å; T839-K843 VanDerWaalsContact O-N 3.13Å
840	L	89.8	Confident	88.8	Confident	16 Å²	16	65.5 Å²	65.5	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-38.9	173.6	-69.5	-178.9	0	0	0	111	W821 V825 E828 I836 A837 A842 K843 A844	W821-L840 HydrophobicContact CZ3-CD2 4.25Å; V825-L840 HydrophobicContact CG2-CB 3.83Å; E828-L840 HydrophobicContact CG-CD1 3.6Å; I836-L840 HydrophobicContact CG2-CD1 4.19Å; I836-L840 HydrophobicContact CG2-CG 4.21Å; I836-L840 WeakPolarHBondContact O-CG 3.31Å; I836-L840 PolarHBondContact O-N 2.74Å; A837-L840 PolarHBondContact O-N 3.1Å; L840-A842 VanDerWaalsContact C-N 3.35Å; L840-K843 PolarHBondContact O-N 3.12Å; L840-A844 WeakPolarHBondContact O-CB 3.37Å; L840-A844 PolarHBondContact O-N 2.91Å
841	M	90.6	Very high	88.7	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-64	-39.6	173.7	-179.1	53.2	77.2	0	0	111.5	V825 A837 N838 K843 A844 L845 L854 E857 A858 L861	V825-M841 HydrophobicContact CB-CE 4.37Å; V825-M841 HydrophobicContact CG1-CB 4.21Å; V825-M841 HydrophobicContact CG1-CE 4.03Å; V825-M841 HydrophobicContact CG2-CB 4.05Å; V825-M841 HydrophobicContact CG2-CE 4.24Å; A837-M841 WeakPolarHBondContact O-CB 3.5Å; A837-M841 PolarHBondContact O-N 3.28Å; N838-M841 PolarHBondContact O-N 3.36Å; M841-K843 VanDerWaalsContact C-N 3.34Å; M841-K843 PolarHBondContact O-N 3.2Å; M841-A844 PolarHBondContact O-N 3.18Å; M841-A844 HydrophobicContact SD-CB 4.48Å; M841-L845 HydrophobicContact CG-CD1 4.21Å; M841-L845 HydrophobicContact CG-CG 4.49Å; M841-L845 WeakPolarHBondContact O-CG 3.42Å; M841-L845 PolarHBondContact O-N 2.99Å; M841-L845 HydrophobicContact SD-CD1 4.16Å; M841-L845 HydrophobicContact SD-CD2 4.4Å; M841-L845 HydrophobicContact SD-CG 3.93Å; M841-L854 HydrophobicContact CE-CD2 4.05Å; M841-L854 WeakPolarHBondContact CE-O 3.3Å; M841-L854 HydrophobicContact SD-CB 4.19Å; M841-L854 HydrophobicContact SD-CD2 4.19Å; M841-E857 HydrophobicContact CE-CB 3.77Å; M841-E857 HydrophobicContact CE-CG 4.04Å; M841-A858 HydrophobicContact CE-CB 4.37Å; M841-A858 HydrophobicContact CG-CB 3.73Å; M841-A858 HydrophobicContact SD-CB 3.87Å; M841-L861 HydrophobicContact CB-CD1 4.18Å; M841-L861 HydrophobicContact CE-CD1 3.99Å; M841-L861 HydrophobicContact CG-CD1 4.19Å
842	A	90.6	Very high	88.7	Confident	52 Å²	52	59.6 Å²	59.6	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-40.8	173.6	0	0	0	0	0	112.4	N838 T839 L840 Q846	N838-A842 PolarHBondContact O-N 2.77Å; T839-A842 PolarHBondContact O-N 3.48Å; L840-A842 VanDerWaalsContact C-N 3.35Å; A842-Q846 WeakPolarHBondContact O-CG 3.26Å; A842-Q846 PolarHBondContact O-N 3.33Å; A842-Q846 VanDerWaalsContact O-N 3.14Å
843	K	90.8	Very high	88.7	Confident	113 Å²	113	58.7 Å²	58.7	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-44.3	173.1	-69.9	175.5	-179.9	-178.3	0	112.1	W821 T839 L840 M841 L845 Q846 E847	W821-K843 HydrophobicContact CH2-CB 4.07Å; W821-K843 HydrophobicContact CZ3-CB 4.29Å; T839-K843 WeakPolarHBondContact O-CG 3.28Å; T839-K843 PolarHBondContact O-N 3.43Å; T839-K843 VanDerWaalsContact O-N 3.13Å; L840-K843 PolarHBondContact O-N 3.12Å; M841-K843 VanDerWaalsContact C-N 3.34Å; M841-K843 PolarHBondContact O-N 3.2Å; K843-L845 VanDerWaalsContact C-N 3.32Å; K843-L845 PolarHBondContact O-N 3.44Å; K843-Q846 WeakPolarHBondContact O-CB 3.15Å; K843-Q846 PolarHBondContact O-N 3.44Å; K843-Q846 VanDerWaalsContact O-N 3.07Å; K843-E847 PolarHBondContact O-N 3.26Å
844	A	89.9	Confident	88.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-42.7	177.3	0	0	0	0	0	112.2	W821 L840 M841 Q846 E847 C848 L854	W821-A844 HydrophobicContact CB-CB 3.73Å; W821-A844 HydrophobicContact CD2-CB 3.67Å; W821-A844 HydrophobicContact CE3-CB 3.76Å; W821-A844 HydrophobicContact CG-CB 3.68Å; L840-A844 WeakPolarHBondContact O-CB 3.37Å; L840-A844 PolarHBondContact O-N 2.91Å; M841-A844 PolarHBondContact O-N 3.18Å; M841-A844 HydrophobicContact SD-CB 4.48Å; A844-Q846 VanDerWaalsContact C-N 3.34Å; A844-E847 PolarHBondContact O-N 3.01Å; A844-C848 WeakPolarHBondContact O-CB 3.3Å; A844-C848 PolarHBondContact O-N 2.71Å; A844-L854 HydrophobicContact CB-CD1 3.91Å; A844-L854 HydrophobicContact CB-CD2 3.97Å
845	L	88.4	Confident	88.9	Confident	22 Å²	22	50.9 Å²	50.9	12%	0.115	27%	0.271	C	S	.	.	H	α-helix	trans	-73.6	-20.5	176.5	-66.7	175.9	0	0	0	113.7	M841 K843 P849 L854 W855 A858	M841-L845 HydrophobicContact CG-CD1 4.21Å; M841-L845 HydrophobicContact CG-CG 4.49Å; M841-L845 WeakPolarHBondContact O-CG 3.42Å; M841-L845 PolarHBondContact O-N 2.99Å; M841-L845 HydrophobicContact SD-CD1 4.16Å; M841-L845 HydrophobicContact SD-CD2 4.4Å; M841-L845 HydrophobicContact SD-CG 3.93Å; K843-L845 VanDerWaalsContact C-N 3.32Å; K843-L845 PolarHBondContact O-N 3.44Å; L845-P849 WeakPolarHBondContact O-CA 3.34Å; L845-L854 HydrophobicContact CD2-CB 3.83Å; L845-W855 HydrophobicContact CD1-CD2 4.46Å; L845-W855 HydrophobicContact CD1-CE3 4.27Å; L845-W855 HydrophobicContact CD1-CH2 4.22Å; L845-W855 HydrophobicContact CD1-CZ2 4.37Å; L845-W855 HydrophobicContact CD1-CZ3 4.17Å; L845-W855 HydrophobicContact CD2-CD2 3.89Å; L845-W855 HydrophobicContact CD2-CE3 4.49Å; L845-W855 HydrophobicContact CD2-CG 4.08Å; L845-W855 HydrophobicContact CD2-CZ2 4.18Å; L845-A858 HydrophobicContact CD1-CB 3.99Å
846	Q	89.1	Confident	88.8	Confident	157 Å²	157	45.5 Å²	45.5	73%	0.734	25%	0.246	S	C	*	.	H	α-helix	trans	-73.9	-41.7	170.2	-77.5	174.2	-10.2	0	0	111.6	A842 K843 A844	A842-Q846 WeakPolarHBondContact O-CG 3.26Å; A842-Q846 PolarHBondContact O-N 3.33Å; A842-Q846 VanDerWaalsContact O-N 3.14Å; K843-Q846 WeakPolarHBondContact O-CB 3.15Å; K843-Q846 PolarHBondContact O-N 3.44Å; K843-Q846 VanDerWaalsContact O-N 3.07Å; A844-Q846 VanDerWaalsContact C-N 3.34Å
847	E	85.3	Confident	88.7	Confident	89 Å²	89	43.2 Å²	43.2	42%	0.416	23%	0.233	S	C	.	.	H	α-helix	trans	-75.5	-38.5	176.9	-68.6	-177.4	-167.3	0	0	112.7	W821 K843 A844	W821-E847 WeakPolarHBondContact CZ2-OE1 3.36Å; W821-E847 WeakPolarHBondContact CZ2-OE2 3.21Å; W821-E847 PolarHBondContact NE1-OE2 2.86Å; K843-E847 PolarHBondContact O-N 3.26Å; A844-E847 PolarHBondContact O-N 3.01Å
848	C	82.4	Confident	88.7	Confident	13 Å²	13	43.3 Å²	43.3	9%	0.088	23%	0.234	C	C	.	.			trans	-129	66.8	-171.8	-63.5	0	0	0	0	111.9	Q816 P818 A844 N850 S851 L854	Q816-C848 PolarHBondContact O-SG 3.37Å; P818-C848 HydrophobicContact CG-CB 4.46Å; A844-C848 WeakPolarHBondContact O-CB 3.3Å; A844-C848 PolarHBondContact O-N 2.71Å; C848-N850 PolarHBondContact O-N 2.88Å; C848-S851 PolarHBondContact O-N 2.99Å; C848-L854 HydrophobicContact CB-CD1 3.85Å
849	P	85.3	Confident	88.6	Confident	52 Å²	52	40.6 Å²	40.6	34%	0.338	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.5	-173.4	27.8	-36.5	0	0	0	114.8	L845 W855	L845-P849 WeakPolarHBondContact O-CA 3.34Å; P849-W855 PolarHBondContact O-NE1 3.48Å
850	N	85.8	Confident	88.4	Confident	122 Å²	122	39.6 Å²	39.6	65%	0.652	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	15.1	-174.7	-61.4	2.5	0	0	0	113	C848 C878	C848-N850 PolarHBondContact O-N 2.88Å; N850-C878 PolarHBondContact O-SG 3.34Å
851	S	86.3	Confident	88.3	Confident	19 Å²	19	39.8 Å²	39.8	13%	0.133	21%	0.21	C	C	.	.			trans	-96	111.4	-177.6	175.7	0	0	0	0	112	P818 C848 I853 L854 W855	P818-S851 WeakPolarHBondContact CB-OG 3.36Å; P818-S851 WeakPolarHBondContact CG-OG 3.25Å; C848-S851 PolarHBondContact O-N 2.99Å; S851-I853 PolarHBondContact O-N 3.5Å; S851-I853 WeakPolarHBondContact OG-CG1 3.42Å; S851-L854 PolarHBondContact O-N 3.19Å; S851-W855 PolarHBondContact O-N 3.49Å
852	G	85.6	Confident	88.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-32.6	-177.3	0	0	0	0	0	115.6	L854 W855 A856 D881	G852-L854 VanDerWaalsContact C-N 3.3Å; G852-L854 PolarHBondContact O-N 3.39Å; G852-W855 PolarHBondContact O-N 3.48Å; G852-A856 VanDerWaalsContact O-CB 3.31Å; G852-A856 WeakPolarHBondContact O-CB 3.37Å; G852-A856 PolarHBondContact O-N 3Å; G852-D881 VanDerWaalsContact CA-CG 3.44Å; G852-D881 WeakPolarHBondContact CA-OD1 3.42Å; G852-D881 WeakPolarHBondContact CA-OD2 3.46Å; G852-D881 PolarHBondContact N-OD2 3.24Å
853	I	87.8	Confident	88.1	Confident	31 Å²	31	41.8 Å²	41.8	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-35.5	176	60.7	172	0	0	0	112.8	P818 D819 L822 S851 E857 H883	P818-I853 HydrophobicContact CB-CD1 3.99Å; P818-I853 HydrophobicContact CB-CG1 4.06Å; D819-I853 VanDerWaalsContact OD1-CD1 3.23Å; D819-I853 WeakPolarHBondContact OD1-CD1 3.47Å; L822-I853 HydrophobicContact CD1-CB 3.82Å; L822-I853 HydrophobicContact CD1-CD1 4.13Å; L822-I853 HydrophobicContact CD1-CG1 4.15Å; S851-I853 PolarHBondContact O-N 3.5Å; S851-I853 WeakPolarHBondContact OG-CG1 3.42Å; I853-E857 PolarHBondContact O-N 2.88Å; I853-H883 HydrophobicContact CG2-CB 4.16Å; I853-H883 VanDerWaalsContact CG2-CD2 3.42Å; I853-H883 WeakPolarHBondContact CG2-CD2 3.34Å
854	L	90.9	Very high	87.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72	-42.8	176	-71.9	174.5	0	0	0	110.7	P818 W821 L822 M841 A844 L845 C848 S851 G852 A856 E857 A858	P818-L854 HydrophobicContact CB-CD1 3.86Å; P818-L854 HydrophobicContact CB-CG 4.03Å; W821-L854 HydrophobicContact CB-CD1 4.38Å; W821-L854 HydrophobicContact CB-CD2 3.85Å; L822-L854 HydrophobicContact CB-CD2 3.93Å; M841-L854 HydrophobicContact CE-CD2 4.05Å; M841-L854 WeakPolarHBondContact CE-O 3.3Å; M841-L854 HydrophobicContact SD-CB 4.19Å; M841-L854 HydrophobicContact SD-CD2 4.19Å; A844-L854 HydrophobicContact CB-CD1 3.91Å; A844-L854 HydrophobicContact CB-CD2 3.97Å; L845-L854 HydrophobicContact CD2-CB 3.83Å; C848-L854 HydrophobicContact CB-CD1 3.85Å; S851-L854 PolarHBondContact O-N 3.19Å; G852-L854 VanDerWaalsContact C-N 3.3Å; G852-L854 PolarHBondContact O-N 3.39Å; L854-A856 PolarHBondContact O-N 2.87Å; L854-E857 PolarHBondContact O-N 2.87Å; L854-A858 VanDerWaalsContact O-CB 3.27Å; L854-A858 WeakPolarHBondContact O-CB 3.3Å; L854-A858 PolarHBondContact O-N 3.42Å
855	W	91.5	Very high	87.9	Confident	24 Å²	24	49.2 Å²	49.2	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-39.3	174.5	-80.5	110.1	0	0	0	113	L845 P849 S851 G852 A858 V859 K870 D873 A874 K877 V884	L845-W855 HydrophobicContact CD1-CD2 4.46Å; L845-W855 HydrophobicContact CD1-CE3 4.27Å; L845-W855 HydrophobicContact CD1-CH2 4.22Å; L845-W855 HydrophobicContact CD1-CZ2 4.37Å; L845-W855 HydrophobicContact CD1-CZ3 4.17Å; L845-W855 HydrophobicContact CD2-CD2 3.89Å; L845-W855 HydrophobicContact CD2-CE3 4.49Å; L845-W855 HydrophobicContact CD2-CG 4.08Å; L845-W855 HydrophobicContact CD2-CZ2 4.18Å; P849-W855 PolarHBondContact O-NE1 3.48Å; S851-W855 PolarHBondContact O-N 3.49Å; G852-W855 PolarHBondContact O-N 3.48Å; W855-A858 PolarHBondContact O-N 3.34Å; W855-V859 VanDerWaalsContact O-CG2 3.31Å; W855-V859 WeakPolarHBondContact O-CG2 3.31Å; W855-V859 PolarHBondContact O-N 2.97Å; W855-K870 HydrophobicContact CZ3-CD 4.2Å; W855-K870 HydrophobicContact CZ3-CG 4.48Å; W855-D873 HydrophobicContact CH2-CB 4.42Å; W855-D873 HydrophobicContact CZ3-CB 4.25Å; W855-A874 HydrophobicContact CB-CB 3.82Å; W855-A874 HydrophobicContact CD2-CB 3.91Å; W855-A874 HydrophobicContact CE3-CB 3.67Å; W855-A874 HydrophobicContact CG-CB 4Å; W855-K877 HydrophobicContact CZ2-CB 4.24Å; W855-K877 HydrophobicContact CZ2-CG 3.81Å; W855-V884 HydrophobicContact CB-CG2 3.87Å
856	A	88.7	Confident	88	Confident	22 Å²	22	53.1 Å²	53.1	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-44.2	177.1	0	0	0	0	0	112.2	G852 L854 F860 H883 A887	G852-A856 VanDerWaalsContact O-CB 3.31Å; G852-A856 WeakPolarHBondContact O-CB 3.37Å; G852-A856 PolarHBondContact O-N 3Å; L854-A856 PolarHBondContact O-N 2.87Å; A856-F860 PolarHBondContact O-N 3.2Å; A856-H883 HydrophobicContact CB-CB 4.1Å; A856-H883 WeakPolarHBondContact CB-O 3.06Å; A856-A887 HydrophobicContact CB-CB 3.87Å
857	E	88.4	Confident	88.1	Confident	27 Å²	27	47.1 Å²	47.1	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-71.6	-38.3	175.2	-165.5	70.2	-124.7	0	0	111.3	R826 M841 I853 L854 V859 F860 L861	R826-E857 HydrophobicContact CG-CG 4.41Å; R826-E857 IonicContact CZ-OE2 3.71Å; R826-E857 IonicContact NE-OE2 3.98Å; R826-E857 PolarHBondContact NE-OE2 3.12Å; R826-E857 IonicContact NH2-OE2 2.75Å; R826-E857 PolarHBondContact NH2-OE2 2.68Å; M841-E857 HydrophobicContact CE-CB 3.77Å; M841-E857 HydrophobicContact CE-CG 4.04Å; I853-E857 PolarHBondContact O-N 2.88Å; L854-E857 PolarHBondContact O-N 2.87Å; E857-V859 VanDerWaalsContact C-N 3.35Å; E857-V859 PolarHBondContact O-N 3.42Å; E857-F860 WeakPolarHBondContact O-CB 3.43Å; E857-F860 PolarHBondContact O-N 2.93Å; E857-L861 HydrophobicContact CG-CD1 4.12Å; E857-L861 HydrophobicContact CG-CG 4.49Å; E857-L861 WeakPolarHBondContact O-CG 3.2Å; E857-L861 PolarHBondContact O-N 3.47Å
858	A	90.9	Very high	88.3	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-42.7	174.6	0	0	0	0	0	112.3	M841 L845 L854 W855 F860 L861 E862	M841-A858 HydrophobicContact CE-CB 4.37Å; M841-A858 HydrophobicContact CG-CB 3.73Å; M841-A858 HydrophobicContact SD-CB 3.87Å; L845-A858 HydrophobicContact CD1-CB 3.99Å; L854-A858 VanDerWaalsContact O-CB 3.27Å; L854-A858 WeakPolarHBondContact O-CB 3.3Å; L854-A858 PolarHBondContact O-N 3.42Å; W855-A858 PolarHBondContact O-N 3.34Å; A858-F860 PolarHBondContact O-N 2.89Å; A858-L861 PolarHBondContact O-N 3.43Å; A858-E862 WeakPolarHBondContact O-CG 3.48Å; A858-E862 PolarHBondContact O-N 2.88Å
859	V	90	Very high	88.8	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-30.5	174.5	169.6	0	0	0	0	111.8	W855 E857 R867 K870 A874 A887 L891	W855-V859 VanDerWaalsContact O-CG2 3.31Å; W855-V859 WeakPolarHBondContact O-CG2 3.31Å; W855-V859 PolarHBondContact O-N 2.97Å; E857-V859 VanDerWaalsContact C-N 3.35Å; E857-V859 PolarHBondContact O-N 3.42Å; V859-R867 HydrophobicContact CG1-CB 4.39Å; V859-R867 WeakPolarHBondContact O-CD 3.39Å; V859-R867 WeakPolarHBondContact O-CG 3.41Å; V859-R867 PolarHBondContact O-NE 3.01Å; V859-K870 HydrophobicContact CG2-CB 4.31Å; V859-K870 HydrophobicContact CG2-CG 4.11Å; V859-A874 HydrophobicContact CG2-CB 4.27Å; V859-A887 HydrophobicContact CG1-CB 4.49Å; V859-L891 HydrophobicContact CG1-CD1 4.11Å
860	F	88.1	Confident	89.1	Confident	57 Å²	57	52.1 Å²	52.1	25%	0.25	27%	0.269	C	S	.	.	H	α-helix	trans	-78.8	-37.4	176.1	-176.7	-109.9	0	0	0	113	Y829 A856 E857 A858 R867	Y829-F860 HydrophobicContact CE1-CE1 4.3Å; A856-F860 PolarHBondContact O-N 3.2Å; E857-F860 WeakPolarHBondContact O-CB 3.43Å; E857-F860 PolarHBondContact O-N 2.93Å; A858-F860 PolarHBondContact O-N 2.89Å; F860-R867 PolarHBondContact O-NE 2.94Å; F860-R867 PolarHBondContact O-NH2 3.2Å
861	L	88.6	Confident	89.3	Confident	21 Å²	21	46.6 Å²	46.6	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-32.6	-178.8	-72.5	164.5	0	0	0	114	V825 Y829 N838 M841 E857 A858	V825-L861 HydrophobicContact CG1-CD1 3.38Å; Y829-L861 HydrophobicContact CD2-CD2 3.41Å; Y829-L861 VanDerWaalsContact CD2-CD2 3.41Å; Y829-L861 HydrophobicContact CE2-CD2 3.9Å; Y829-L861 HydrophobicContact CG-CD2 4.05Å; N838-L861 WeakPolarHBondContact OD1-CB 3.45Å; M841-L861 HydrophobicContact CB-CD1 4.18Å; M841-L861 HydrophobicContact CE-CD1 3.99Å; M841-L861 HydrophobicContact CG-CD1 4.19Å; E857-L861 HydrophobicContact CG-CD1 4.12Å; E857-L861 HydrophobicContact CG-CG 4.49Å; E857-L861 WeakPolarHBondContact O-CG 3.2Å; E857-L861 PolarHBondContact O-N 3.47Å; A858-L861 PolarHBondContact O-N 3.43Å
862	E	88.3	Confident	89.6	Confident	44 Å²	44	49.9 Å²	49.9	21%	0.206	26%	0.259	C	S	.	.	S	Bend	trans	-63.1	151.6	175.8	-65.7	-69.5	-171.8	0	0	112.2	A858 Q866 R867 K870	A858-E862 WeakPolarHBondContact O-CG 3.48Å; A858-E862 PolarHBondContact O-N 2.88Å; E862-Q866 HydrophobicContact CB-CB 4.39Å; E862-R867 HydrophobicContact CB-CG 4.27Å; E862-R867 WeakPolarHBondContact O-CG 3.21Å; E862-R867 PolarHBondContact O-NE 2.87Å; E862-K870 HydrophobicContact CG-CB 4.14Å; E862-K870 HydrophobicContact CG-CD 3.97Å; E862-K870 HydrophobicContact CG-CG 3.84Å; E862-K870 WeakPolarHBondContact OE1-CE 3.45Å; E862-K870 IonicContact OE1-NZ 3.55Å; E862-K870 PolarHBondContact OE1-NZ 2.76Å
863	A	88.7	Confident	89.9	Confident	55 Å²	55	53.8 Å²	53.8	46%	0.455	28%	0.28	S	S	.	.			trans	-62.5	143.5	176.4	0	0	0	0	0	111	P865 Q866 R867	A863-P865 VanDerWaalsContact C-CD 3.42Å; A863-P865 VanDerWaalsContact C-N 3.33Å; A863-P865 WeakPolarHBondContact O-CD 3.4Å; A863-Q866 WeakPolarHBondContact O-CB 3.48Å; A863-Q866 PolarHBondContact O-N 3.03Å; A863-R867 WeakPolarHBondContact O-CG 3.47Å; A863-R867 PolarHBondContact O-N 2.96Å
864	R	86.5	Confident	90	Very high	155 Å²	155	52.3 Å²	52.3	59%	0.585	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	-45.5	-171	-71.6	-176.5	178.6	168.2	2.7	115.4	Q866 F982	R864-Q866 PolarHBondContact O-N 3.36Å; R864-F982 PolarHBondContact NE-OXT 3.21Å; R864-F982 PolarHBondContact NH2-O 3.32Å; R864-F982 PolarHBondContact NH2-OXT 3.39Å
865	P	90.1	Very high	90	Very high	114 Å²	114	53.7 Å²	53.7	74%	0.74	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.6	178.7	-19.9	33.8	0	0	0	114.4	A863	A863-P865 VanDerWaalsContact C-CD 3.42Å; A863-P865 VanDerWaalsContact C-N 3.33Å; A863-P865 WeakPolarHBondContact O-CD 3.4Å
866	Q	90.5	Very high	89.9	Confident	104 Å²	104	60.9 Å²	60.9	49%	0.486	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-19.8	-176.3	-67.4	164.3	-23.1	0	0	112.4	E862 A863 R864 K868 T869 K870	E862-Q866 HydrophobicContact CB-CB 4.39Å; A863-Q866 WeakPolarHBondContact O-CB 3.48Å; A863-Q866 PolarHBondContact O-N 3.03Å; R864-Q866 PolarHBondContact O-N 3.36Å; Q866-K868 PolarHBondContact O-N 3.41Å; Q866-K868 VanDerWaalsContact O-N 3.16Å; Q866-T869 PolarHBondContact O-N 3.29Å; Q866-T869 PolarHBondContact O-OG1 3.18Å; Q866-K870 PolarHBondContact O-N 3.43Å; Q866-K870 VanDerWaalsContact O-N 3.07Å
867	R	90.9	Very high	89.9	Confident	32 Å²	32	65.7 Å²	65.7	12%	0.121	33%	0.328	C	S	.	.	H	α-helix	trans	-53.9	-36.8	177.5	-58	-169.3	173.9	165.8	-9.1	112.4	V859 F860 E862 A863 K870 S871 L891	V859-R867 HydrophobicContact CG1-CB 4.39Å; V859-R867 WeakPolarHBondContact O-CD 3.39Å; V859-R867 WeakPolarHBondContact O-CG 3.41Å; V859-R867 PolarHBondContact O-NE 3.01Å; F860-R867 PolarHBondContact O-NE 2.94Å; F860-R867 PolarHBondContact O-NH2 3.2Å; E862-R867 HydrophobicContact CB-CG 4.27Å; E862-R867 WeakPolarHBondContact O-CG 3.21Å; E862-R867 PolarHBondContact O-NE 2.87Å; A863-R867 WeakPolarHBondContact O-CG 3.47Å; A863-R867 PolarHBondContact O-N 2.96Å; R867-K870 PolarHBondContact O-N 3.31Å; R867-S871 VanDerWaalsContact O-CB 3.31Å; R867-S871 WeakPolarHBondContact O-CB 3.41Å; R867-S871 PolarHBondContact O-N 3.26Å; R867-S871 PolarHBondContact O-OG 2.73Å; R867-S871 VanDerWaalsContact O-OG 3.05Å; R867-L891 HydrophobicContact CB-CD1 3.69Å; R867-L891 HydrophobicContact CB-CG 4.42Å
868	K	89.8	Confident	89.7	Confident	120 Å²	120	65 Å²	65	52%	0.522	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-39.9	-178.1	-173.4	-176.6	175.6	-166.5	0	113.2	Q866 S871 V872	Q866-K868 PolarHBondContact O-N 3.41Å; Q866-K868 VanDerWaalsContact O-N 3.16Å; K868-S871 PolarHBondContact O-OG 3.15Å; K868-V872 WeakPolarHBondContact O-CG2 3.2Å; K868-V872 PolarHBondContact O-N 3.25Å
869	T	92.6	Very high	89	Confident	92 Å²	92	71.2 Å²	71.2	56%	0.564	36%	0.355	S	S	*	.	H	α-helix	trans	-74.6	-43.5	175	50.8	0	0	0	0	110.2	Q866 S871 V872 D873	Q866-T869 PolarHBondContact O-N 3.29Å; Q866-T869 PolarHBondContact O-OG1 3.18Å; T869-S871 VanDerWaalsContact C-N 3.27Å; T869-S871 PolarHBondContact O-N 3Å; T869-V872 WeakPolarHBondContact O-CB 2.78Å; T869-V872 PolarHBondContact O-N 2.97Å; T869-D873 PolarHBondContact O-N 2.66Å
870	K	91.3	Very high	88.6	Confident	46 Å²	46	77.3 Å²	77.3	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-37.6	177.3	-162.4	76.2	167.2	-148.5	0	113	W855 V859 E862 Q866 R867 D873 A874	W855-K870 HydrophobicContact CZ3-CD 4.2Å; W855-K870 HydrophobicContact CZ3-CG 4.48Å; V859-K870 HydrophobicContact CG2-CB 4.31Å; V859-K870 HydrophobicContact CG2-CG 4.11Å; E862-K870 HydrophobicContact CG-CB 4.14Å; E862-K870 HydrophobicContact CG-CD 3.97Å; E862-K870 HydrophobicContact CG-CG 3.84Å; E862-K870 WeakPolarHBondContact OE1-CE 3.45Å; E862-K870 IonicContact OE1-NZ 3.55Å; E862-K870 PolarHBondContact OE1-NZ 2.76Å; Q866-K870 PolarHBondContact O-N 3.43Å; Q866-K870 VanDerWaalsContact O-N 3.07Å; R867-K870 PolarHBondContact O-N 3.31Å; K870-D873 PolarHBondContact O-N 3.11Å; K870-A874 WeakPolarHBondContact O-CB 3.41Å; K870-A874 PolarHBondContact O-N 3.43Å
871	S	90.6	Very high	88.6	Confident	7 Å²	7	76.5 Å²	76.5	5%	0.049	38%	0.381	C	S	.	.	H	α-helix	trans	-72.6	-29.3	177.6	62.1	0	0	0	0	112.9	R867 K868 T869 L875	R867-S871 VanDerWaalsContact O-CB 3.31Å; R867-S871 WeakPolarHBondContact O-CB 3.41Å; R867-S871 PolarHBondContact O-N 3.26Å; R867-S871 PolarHBondContact O-OG 2.73Å; R867-S871 VanDerWaalsContact O-OG 3.05Å; K868-S871 PolarHBondContact O-OG 3.15Å; T869-S871 VanDerWaalsContact C-N 3.27Å; T869-S871 PolarHBondContact O-N 3Å; S871-L875 VanDerWaalsContact O-CG 3.29Å; S871-L875 WeakPolarHBondContact O-CG 3.5Å; S871-L875 PolarHBondContact O-N 3.42Å
872	V	92.4	Very high	88.5	Confident	88 Å²	88	75.8 Å²	75.8	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-71.1	-40.2	170.9	172.1	0	0	0	0	110.5	K868 T869 A874 L875 K876	K868-V872 WeakPolarHBondContact O-CG2 3.2Å; K868-V872 PolarHBondContact O-N 3.25Å; T869-V872 WeakPolarHBondContact O-CB 2.78Å; T869-V872 PolarHBondContact O-N 2.97Å; V872-A874 VanDerWaalsContact C-N 3.33Å; V872-L875 PolarHBondContact O-N 3.31Å; V872-K876 WeakPolarHBondContact O-CB 3.23Å; V872-K876 PolarHBondContact O-N 3.06Å
873	D	90.8	Very high	88.5	Confident	82 Å²	82	76.1 Å²	76.1	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-41.7	172.5	-66.8	-35	0	0	0	111.6	W855 T869 K870 K876 K877	W855-D873 HydrophobicContact CH2-CB 4.42Å; W855-D873 HydrophobicContact CZ3-CB 4.25Å; T869-D873 PolarHBondContact O-N 2.66Å; K870-D873 PolarHBondContact O-N 3.11Å; D873-K876 PolarHBondContact O-N 3.1Å; D873-K877 WeakPolarHBondContact O-CG 3.35Å; D873-K877 PolarHBondContact O-N 3.31Å; D873-K877 VanDerWaalsContact O-N 3.07Å
874	A	90.5	Very high	88.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-48.4	174.8	0	0	0	0	0	112	W855 V859 K870 V872 K876 K877 C878 V884	W855-A874 HydrophobicContact CB-CB 3.82Å; W855-A874 HydrophobicContact CD2-CB 3.91Å; W855-A874 HydrophobicContact CE3-CB 3.67Å; W855-A874 HydrophobicContact CG-CB 4Å; V859-A874 HydrophobicContact CG2-CB 4.27Å; K870-A874 WeakPolarHBondContact O-CB 3.41Å; K870-A874 PolarHBondContact O-N 3.43Å; V872-A874 VanDerWaalsContact C-N 3.33Å; A874-K876 VanDerWaalsContact C-N 3.35Å; A874-K876 PolarHBondContact O-N 2.99Å; A874-K877 PolarHBondContact O-N 2.77Å; A874-K877 VanDerWaalsContact O-N 3.14Å; A874-C878 PolarHBondContact O-N 2.93Å; A874-V884 HydrophobicContact CB-CG1 3.65Å
875	L	90.2	Very high	88.9	Confident	29 Å²	29	66.3 Å²	66.3	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-41.1	175.5	-71.4	169.4	0	0	0	111.7	S871 V872 K877 C878 E879 V884 L885 V888 W904	S871-L875 VanDerWaalsContact O-CG 3.29Å; S871-L875 WeakPolarHBondContact O-CG 3.5Å; S871-L875 PolarHBondContact O-N 3.42Å; V872-L875 PolarHBondContact O-N 3.31Å; L875-K877 PolarHBondContact O-N 3.42Å; L875-C878 CarbonylContact O-C 3.2Å; L875-C878 PolarHBondContact O-N 2.82Å; L875-E879 WeakPolarHBondContact O-CA 3.44Å; L875-E879 VanDerWaalsContact O-CB 3.25Å; L875-E879 WeakPolarHBondContact O-CB 3.45Å; L875-E879 PolarHBondContact O-N 2.92Å; L875-V884 HydrophobicContact CD2-CG1 3.86Å; L875-V884 HydrophobicContact CG-CG1 4.13Å; L875-L885 HydrophobicContact CD2-CD2 3.81Å; L875-V888 HydrophobicContact CD1-CG2 3.97Å; L875-V888 HydrophobicContact CD2-CG2 4.31Å; L875-V888 HydrophobicContact CG-CG2 4.13Å; L875-W904 HydrophobicContact CD1-CH2 3.63Å; L875-W904 HydrophobicContact CD1-CZ3 3.89Å; L875-W904 HydrophobicContact CD2-CH2 4.34Å; L875-W904 HydrophobicContact CD2-CZ3 3.9Å
876	K	90.8	Very high	88.9	Confident	176 Å²	176	61.4 Å²	61.4	77%	0.765	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-21.8	176.5	-176.1	172.4	179.5	177	0	113.4	V872 D873 A874	V872-K876 WeakPolarHBondContact O-CB 3.23Å; V872-K876 PolarHBondContact O-N 3.06Å; D873-K876 PolarHBondContact O-N 3.1Å; A874-K876 VanDerWaalsContact C-N 3.35Å; A874-K876 PolarHBondContact O-N 2.99Å
877	K	87.7	Confident	88.9	Confident	122 Å²	122	56.9 Å²	56.9	53%	0.53	28%	0.278	S	S	.	.	H	α-helix	trans	-95.3	-35.5	177.2	-68.8	-68.1	-176	177.4	0	113.1	W855 D873 A874 L875	W855-K877 HydrophobicContact CZ2-CB 4.24Å; W855-K877 HydrophobicContact CZ2-CG 3.81Å; D873-K877 WeakPolarHBondContact O-CG 3.35Å; D873-K877 PolarHBondContact O-N 3.31Å; D873-K877 VanDerWaalsContact O-N 3.07Å; A874-K877 PolarHBondContact O-N 2.77Å; A874-K877 VanDerWaalsContact O-N 3.14Å; L875-K877 PolarHBondContact O-N 3.42Å
878	C	83.6	Confident	88.9	Confident	12 Å²	12	55.6 Å²	55.6	8%	0.081	27%	0.274	C	S	.	.	S	Bend	trans	-139.4	65.9	-171.5	-51.8	0	0	0	0	109.4	N850 A874 L875 H880 D881 V884	N850-C878 PolarHBondContact O-SG 3.34Å; A874-C878 PolarHBondContact O-N 2.93Å; L875-C878 CarbonylContact O-C 3.2Å; L875-C878 PolarHBondContact O-N 2.82Å; C878-H880 VanDerWaalsContact C-N 3.32Å; C878-H880 PolarHBondContact O-N 3.25Å; C878-D881 HydrophobicContact CB-CB 3.85Å; C878-D881 PolarHBondContact O-N 2.78Å; C878-V884 HydrophobicContact CB-CG2 4.02Å
879	E	78	Confident	89	Confident	133 Å²	133	49.9 Å²	49.9	62%	0.621	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.4	-166.4	-166.8	167.3	-175	0	0	114.2	L875	L875-E879 WeakPolarHBondContact O-CA 3.44Å; L875-E879 VanDerWaalsContact O-CB 3.25Å; L875-E879 WeakPolarHBondContact O-CB 3.45Å; L875-E879 PolarHBondContact O-N 2.92Å
880	H	81	Confident	88.8	Confident	135 Å²	135	48.9 Å²	48.9	63%	0.625	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	17.8	-178.6	-54.7	-25.9	0	0	0	112.6	C878 P882 I911	C878-H880 VanDerWaalsContact C-N 3.32Å; C878-H880 PolarHBondContact O-N 3.25Å; H880-P882 WeakPolarHBondContact O-CD 3.35Å; H880-I911 WeakPolarHBondContact O-CG2 3.49Å
881	D	86.9	Confident	88.8	Confident	39 Å²	39	47.3 Å²	47.3	21%	0.209	23%	0.23	C	C	.	.			trans	-84.5	122.5	177.9	-174.5	-72.4	0	0	0	111.6	G852 C878 H883 V884 L885	G852-D881 VanDerWaalsContact CA-CG 3.44Å; G852-D881 WeakPolarHBondContact CA-OD1 3.42Å; G852-D881 WeakPolarHBondContact CA-OD2 3.46Å; G852-D881 PolarHBondContact N-OD2 3.24Å; C878-D881 HydrophobicContact CB-CB 3.85Å; C878-D881 PolarHBondContact O-N 2.78Å; D881-H883 VanDerWaalsContact C-N 3.31Å; D881-H883 PolarHBondContact O-N 3.12Å; D881-H883 WeakPolarHBondContact OD1-CA 3.33Å; D881-H883 VanDerWaalsContact OD1-CB 3.31Å; D881-H883 WeakPolarHBondContact OD1-CB 3.49Å; D881-H883 IonicContact OD1-CD2 2.66Å; D881-H883 IonicContact OD1-CG 3.89Å; D881-H883 PolarHBondContact OD1-N 3.29Å; D881-V884 HydrophobicContact CB-CB 4.39Å; D881-V884 HydrophobicContact CB-CG2 4.11Å; D881-V884 PolarHBondContact O-N 3.07Å; D881-V884 PolarHBondContact OD1-N 3.37Å; D881-L885 WeakPolarHBondContact O-CG 3.41Å; D881-L885 PolarHBondContact O-N 3.48Å; D881-L885 VanDerWaalsContact O-N 3.1Å
882	P	87.8	Confident	88.8	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-34.9	-178.6	-26	34.6	0	0	0	114.7	H880 V884 L885 L886 T908 I911 E912 L915	H880-P882 WeakPolarHBondContact O-CD 3.35Å; P882-V884 VanDerWaalsContact C-N 3.34Å; P882-L885 PolarHBondContact O-N 3.28Å; P882-L886 WeakPolarHBondContact O-CB 3.27Å; P882-L886 PolarHBondContact O-N 3.04Å; P882-T908 WeakPolarHBondContact O-CG2 3.41Å; P882-I911 HydrophobicContact CG-CG2 4.14Å; P882-E912 HydrophobicContact CB-CB 4.19Å; P882-E912 HydrophobicContact CG-CB 3.54Å; P882-E912 HydrophobicContact CG-CG 3.48Å; P882-E912 VanDerWaalsContact CG-CG 3.48Å; P882-L915 HydrophobicContact CB-CD1 3.45Å; P882-L915 VanDerWaalsContact CB-CD1 3.45Å; P882-L915 HydrophobicContact CG-CD1 4.36Å
883	H	88.3	Confident	88.7	Confident	51 Å²	51	44.8 Å²	44.8	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-33	-179.8	-65.2	-84.5	0	0	0	111.4	I853 A856 D881 A887	I853-H883 HydrophobicContact CG2-CB 4.16Å; I853-H883 VanDerWaalsContact CG2-CD2 3.42Å; I853-H883 WeakPolarHBondContact CG2-CD2 3.34Å; A856-H883 HydrophobicContact CB-CB 4.1Å; A856-H883 WeakPolarHBondContact CB-O 3.06Å; D881-H883 VanDerWaalsContact C-N 3.31Å; D881-H883 PolarHBondContact O-N 3.12Å; D881-H883 WeakPolarHBondContact OD1-CA 3.33Å; D881-H883 VanDerWaalsContact OD1-CB 3.31Å; D881-H883 WeakPolarHBondContact OD1-CB 3.49Å; D881-H883 IonicContact OD1-CD2 2.66Å; D881-H883 IonicContact OD1-CG 3.89Å; D881-H883 PolarHBondContact OD1-N 3.29Å; H883-A887 WeakPolarHBondContact O-CB 3.35Å; H883-A887 PolarHBondContact O-N 3.13Å
884	V	91.4	Very high	88.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-71	-45	173.8	-179.8	0	0	0	0	111	W855 A874 L875 C878 D881 P882 L886 A887 V888	W855-V884 HydrophobicContact CB-CG2 3.87Å; A874-V884 HydrophobicContact CB-CG1 3.65Å; L875-V884 HydrophobicContact CD2-CG1 3.86Å; L875-V884 HydrophobicContact CG-CG1 4.13Å; C878-V884 HydrophobicContact CB-CG2 4.02Å; D881-V884 HydrophobicContact CB-CB 4.39Å; D881-V884 HydrophobicContact CB-CG2 4.11Å; D881-V884 PolarHBondContact O-N 3.07Å; D881-V884 PolarHBondContact OD1-N 3.37Å; P882-V884 VanDerWaalsContact C-N 3.34Å; V884-L886 VanDerWaalsContact C-N 3.28Å; V884-L886 PolarHBondContact O-N 2.97Å; V884-A887 PolarHBondContact O-N 2.77Å; V884-A887 VanDerWaalsContact O-N 3.14Å; V884-V888 WeakPolarHBondContact O-CG2 3.28Å; V884-V888 PolarHBondContact O-N 3Å
885	L	90.9	Very high	88.5	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-41.8	174	-61.4	178	0	0	0	111.3	L875 D881 P882 V888 A889 W904 R907 T908 I911	L875-L885 HydrophobicContact CD2-CD2 3.81Å; D881-L885 WeakPolarHBondContact O-CG 3.41Å; D881-L885 PolarHBondContact O-N 3.48Å; D881-L885 VanDerWaalsContact O-N 3.1Å; P882-L885 PolarHBondContact O-N 3.28Å; L885-V888 PolarHBondContact O-N 3.49Å; L885-A889 PolarHBondContact O-N 3.45Å; L885-W904 HydrophobicContact CD2-CE3 3.89Å; L885-W904 HydrophobicContact CD2-CZ3 3.54Å; L885-R907 HydrophobicContact CD1-CG 4.48Å; L885-T908 HydrophobicContact CB-CG2 4.24Å; L885-T908 VanDerWaalsContact CB-OG1 3.28Å; L885-T908 WeakPolarHBondContact CB-OG1 3.48Å; L885-I911 HydrophobicContact CD1-CB 4.25Å; L885-I911 HydrophobicContact CD1-CG1 3.8Å
886	L	90.7	Very high	88.4	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-39.4	175	-173.6	55.8	0	0	0	112.6	P882 V884 A889 K890 F905 T908 L915 D917 A918 L921	P882-L886 WeakPolarHBondContact O-CB 3.27Å; P882-L886 PolarHBondContact O-N 3.04Å; V884-L886 VanDerWaalsContact C-N 3.28Å; V884-L886 PolarHBondContact O-N 2.97Å; L886-A889 PolarHBondContact O-N 3.47Å; L886-K890 WeakPolarHBondContact O-CB 3.45Å; L886-K890 VanDerWaalsContact O-CG 3.31Å; L886-K890 WeakPolarHBondContact O-CG 3.35Å; L886-K890 PolarHBondContact O-N 3.16Å; L886-F905 HydrophobicContact CD1-CD1 4.24Å; L886-F905 HydrophobicContact CD1-CE1 3.83Å; L886-T908 HydrophobicContact CB-CG2 4.01Å; L886-T908 PolarHBondContact N-OG1 3.05Å; L886-L915 HydrophobicContact CD2-CD2 4.31Å; L886-D917 HydrophobicContact CD2-CB 4.29Å; L886-A918 HydrophobicContact CD1-CB 4.12Å; L886-A918 HydrophobicContact CD2-CB 4.16Å; L886-L921 HydrophobicContact CD1-CB 4.14Å; L886-L921 HydrophobicContact CD1-CD1 3.74Å; L886-L921 HydrophobicContact CD2-CD1 3.94Å; L886-L921 HydrophobicContact CG-CD1 3.94Å
887	A	89.9	Confident	88.5	Confident	9 Å²	9	50.7 Å²	50.7	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-38	174.8	0	0	0	0	0	112.2	A856 V859 H883 V884 K890 L891	A856-A887 HydrophobicContact CB-CB 3.87Å; V859-A887 HydrophobicContact CG1-CB 4.49Å; H883-A887 WeakPolarHBondContact O-CB 3.35Å; H883-A887 PolarHBondContact O-N 3.13Å; V884-A887 PolarHBondContact O-N 2.77Å; V884-A887 VanDerWaalsContact O-N 3.14Å; A887-K890 PolarHBondContact O-N 3.13Å; A887-L891 WeakPolarHBondContact O-CB 3.43Å; A887-L891 PolarHBondContact O-N 2.91Å
888	V	91.3	Very high	88.7	Confident	4 Å²	4	48 Å²	48	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-42.6	173.3	174.3	0	0	0	0	111.2	L875 V884 L885 L891 F892 W904	L875-V888 HydrophobicContact CD1-CG2 3.97Å; L875-V888 HydrophobicContact CD2-CG2 4.31Å; L875-V888 HydrophobicContact CG-CG2 4.13Å; V884-V888 WeakPolarHBondContact O-CG2 3.28Å; V884-V888 PolarHBondContact O-N 3Å; L885-V888 PolarHBondContact O-N 3.49Å; V888-L891 WeakPolarHBondContact O-CB 3.31Å; V888-L891 PolarHBondContact O-N 2.96Å; V888-F892 HydrophobicContact CG1-CD2 3.81Å; V888-F892 HydrophobicContact CG1-CE2 3.43Å; V888-F892 VanDerWaalsContact CG1-CE2 3.43Å; V888-F892 HydrophobicContact CG1-CZ 4.33Å; V888-F892 WeakPolarHBondContact O-CD2 3.35Å; V888-F892 PolarHBondContact O-N 3.15Å; V888-W904 HydrophobicContact CB-CD2 4.44Å; V888-W904 HydrophobicContact CB-CE3 3.95Å; V888-W904 HydrophobicContact CB-CZ3 4.32Å; V888-W904 HydrophobicContact CG1-CD2 3.55Å; V888-W904 HydrophobicContact CG1-CE3 3.48Å; V888-W904 VanDerWaalsContact CG1-CE3 3.48Å; V888-W904 HydrophobicContact CG1-CG 4.08Å; V888-W904 HydrophobicContact CG1-CH2 4.31Å; V888-W904 HydrophobicContact CG1-CZ2 4.38Å; V888-W904 HydrophobicContact CG1-CZ3 3.88Å
889	A	91.6	Very high	89.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-46.8	174.3	0	0	0	0	0	111.4	L885 L886 L891 F892 W893 S901 W904 F905	L885-A889 PolarHBondContact O-N 3.45Å; L886-A889 PolarHBondContact O-N 3.47Å; A889-L891 VanDerWaalsContact C-N 3.27Å; A889-L891 PolarHBondContact O-N 3.25Å; A889-F892 PolarHBondContact O-N 3.3Å; A889-W893 WeakPolarHBondContact O-CB 3.44Å; A889-W893 PolarHBondContact O-N 3.25Å; A889-S901 PolarHBondContact O-OG 3.23Å; A889-W904 HydrophobicContact CB-CB 4Å; A889-F905 HydrophobicContact CB-CD1 3.62Å; A889-F905 HydrophobicContact CB-CD2 4.1Å; A889-F905 HydrophobicContact CB-CE1 3.64Å; A889-F905 HydrophobicContact CB-CE2 4.11Å; A889-F905 HydrophobicContact CB-CG 3.84Å; A889-F905 HydrophobicContact CB-CZ 3.89Å
890	K	89.3	Confident	89.8	Confident	71 Å²	71	51.6 Å²	51.6	31%	0.309	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-35.9	172	-73.5	174.2	72.3	-179.9	0	112.9	L886 A887 S894 L921	L886-K890 WeakPolarHBondContact O-CB 3.45Å; L886-K890 VanDerWaalsContact O-CG 3.31Å; L886-K890 WeakPolarHBondContact O-CG 3.35Å; L886-K890 PolarHBondContact O-N 3.16Å; A887-K890 PolarHBondContact O-N 3.13Å; K890-S894 WeakPolarHBondContact O-CB 3.41Å; K890-S894 PolarHBondContact O-N 3.46Å; K890-L921 HydrophobicContact CD-CD1 3.8Å; K890-L921 HydrophobicContact CD-CD2 4.48Å; K890-L921 HydrophobicContact CG-CD1 4.18Å; K890-L921 HydrophobicContact CG-CD2 4.47Å
891	L	90.8	Very high	90.4	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-50	176.1	-173.2	163.3	0	0	0	110.6	V859 R867 A887 V888 A889 W893 S894 E895	V859-L891 HydrophobicContact CG1-CD1 4.11Å; R867-L891 HydrophobicContact CB-CD1 3.69Å; R867-L891 HydrophobicContact CB-CG 4.42Å; A887-L891 WeakPolarHBondContact O-CB 3.43Å; A887-L891 PolarHBondContact O-N 2.91Å; V888-L891 WeakPolarHBondContact O-CB 3.31Å; V888-L891 PolarHBondContact O-N 2.96Å; A889-L891 VanDerWaalsContact C-N 3.27Å; A889-L891 PolarHBondContact O-N 3.25Å; L891-W893 VanDerWaalsContact C-N 3.32Å; L891-W893 PolarHBondContact O-N 2.75Å; L891-S894 CarbonylContact O-C 3.57Å; L891-S894 WeakPolarHBondContact O-CB 3.31Å; L891-S894 PolarHBondContact O-N 3.16Å; L891-S894 VanDerWaalsContact O-N 3.15Å; L891-E895 HydrophobicContact CD2-CG 4.02Å; L891-E895 PolarHBondContact O-N 3.06Å
892	F	91.7	Very high	90.6	Very high	34 Å²	34	45.7 Å²	45.7	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-34.7	177.6	-71.2	-49.6	0	0	0	113	V888 A889 E895 R896 K897 K900 W904	V888-F892 HydrophobicContact CG1-CD2 3.81Å; V888-F892 HydrophobicContact CG1-CE2 3.43Å; V888-F892 VanDerWaalsContact CG1-CE2 3.43Å; V888-F892 HydrophobicContact CG1-CZ 4.33Å; V888-F892 WeakPolarHBondContact O-CD2 3.35Å; V888-F892 PolarHBondContact O-N 3.15Å; A889-F892 PolarHBondContact O-N 3.3Å; F892-E895 CarbonylContact O-C 3.3Å; F892-E895 PolarHBondContact O-N 2.84Å; F892-R896 PolarHBondContact O-N 3.21Å; F892-R896 VanDerWaalsContact O-N 3.11Å; F892-K897 HydrophobicContact CB-CB 4.44Å; F892-K897 HydrophobicContact CD1-CB 4.48Å; F892-K897 HydrophobicContact CD1-CD 4.22Å; F892-K897 PolarHBondContact O-N 3.16Å; F892-K900 HydrophobicContact CD2-CB 4.36Å; F892-K900 HydrophobicContact CG-CB 4.3Å; F892-W904 AromaticContact CD2-CD1 3.76Å; F892-W904 HydrophobicContact CD2-CG 4.06Å; F892-W904 AromaticContact CE2-CD1 3.62Å; F892-W904 HydrophobicContact CE2-CD2 4.24Å; F892-W904 AromaticContact CE2-CE2 3.94Å; F892-W904 HydrophobicContact CE2-CG 4.05Å; F892-W904 AromaticContact CE2-NE1 3.55Å
893	W	90.6	Very high	90.8	Very high	8 Å²	8	50 Å²	50	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-44.8	170.4	-173.5	16.9	0	0	0	111.9	A889 L891 E895 R896 S901 F905 L921 K924 F925 H929 F982	A889-W893 WeakPolarHBondContact O-CB 3.44Å; A889-W893 PolarHBondContact O-N 3.25Å; L891-W893 VanDerWaalsContact C-N 3.32Å; L891-W893 PolarHBondContact O-N 2.75Å; W893-E895 VanDerWaalsContact C-N 3.29Å; W893-E895 PolarHBondContact O-N 2.7Å; W893-R896 WeakPolarHBondContact O-CA 3.21Å; W893-R896 PolarHBondContact O-N 3.33Å; W893-S901 PolarHBondContact N-OG 3.45Å; W893-F905 HydrophobicContact CE3-CZ 4.11Å; W893-L921 HydrophobicContact CZ3-CD2 4.03Å; W893-K924 HydrophobicContact CH2-CB 4.27Å; W893-K924 HydrophobicContact CH2-CD 3.89Å; W893-K924 HydrophobicContact CH2-CG 3.94Å; W893-F925 HydrophobicContact CB-CD2 4.44Å; W893-F925 AromaticContact CD1-CD2 3.8Å; W893-F925 HydrophobicContact CD2-CB 4.41Å; W893-F925 HydrophobicContact CD2-CD2 4.06Å; W893-F925 HydrophobicContact CE3-CB 4.42Å; W893-F925 AromaticContact CG-CD2 3.87Å; W893-F925 HydrophobicContact CG-CD2 3.87Å; W893-F925 HydrophobicContact CG-CE2 4.49Å; W893-F925 HydrophobicContact CH2-CB 4.48Å; W893-F925 HydrophobicContact CZ2-CB 4.45Å; W893-F925 HydrophobicContact CZ3-CB 4.46Å; W893-F925 AromaticContact NE1-CD2 3.96Å; W893-H929 AromaticContact CD1-CD2 3.81Å; W893-H929 AromaticContact CD1-NE2 3.65Å; W893-H929 AromaticContact NE1-CD2 3.44Å; W893-H929 PolarHBondContact NE1-CD2 3.24Å; W893-H929 AromaticContact NE1-NE2 3.26Å; W893-H929 PolarHBondContact NE1-NE2 3.25Å; W893-F982 HydrophobicContact CD2-CE2 4.03Å; W893-F982 AromaticContact CD2-CZ 3.77Å; W893-F982 HydrophobicContact CD2-CZ 3.77Å; W893-F982 HydrophobicContact CE3-CE1 4.45Å; W893-F982 HydrophobicContact CE3-CE2 4.09Å; W893-F982 AromaticContact CE3-CZ 3.47Å; W893-F982 HydrophobicContact CE3-CZ 3.47Å; W893-F982 VanDerWaalsContact CE3-CZ 3.47Å; W893-F982 HydrophobicContact CG-CZ 4.4Å; W893-F982 HydrophobicContact CH2-CE2 4.27Å; W893-F982 HydrophobicContact CH2-CZ 4.27Å; W893-F982 HydrophobicContact CZ2-CE2 4.23Å; W893-F982 HydrophobicContact CZ3-CE2 4.21Å; W893-F982 AromaticContact CZ3-CZ 3.75Å; W893-F982 HydrophobicContact CZ3-CZ 3.75Å
894	S	87	Confident	91	Very high	36 Å²	36	49.3 Å²	49.3	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-32.8	174.6	-175.9	0	0	0	0	112.9	K890 L891	K890-S894 WeakPolarHBondContact O-CB 3.41Å; K890-S894 PolarHBondContact O-N 3.46Å; L891-S894 CarbonylContact O-C 3.57Å; L891-S894 WeakPolarHBondContact O-CB 3.31Å; L891-S894 PolarHBondContact O-N 3.16Å; L891-S894 VanDerWaalsContact O-N 3.15Å
895	E	88.5	Confident	91	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.8	171.3	-69	-171.1	162.5	0	0	113.4	L891 F892 W893 K897	L891-E895 HydrophobicContact CD2-CG 4.02Å; L891-E895 PolarHBondContact O-N 3.06Å; F892-E895 CarbonylContact O-C 3.3Å; F892-E895 PolarHBondContact O-N 2.84Å; W893-E895 VanDerWaalsContact C-N 3.29Å; W893-E895 PolarHBondContact O-N 2.7Å; E895-K897 HydrophobicContact CB-CD 4.19Å; E895-K897 HydrophobicContact CB-CG 4.35Å; E895-K897 PolarHBondContact O-N 2.75Å; E895-K897 WeakPolarHBondContact OE2-CD 3.47Å; E895-K897 WeakPolarHBondContact OE2-CE 3.19Å; E895-K897 IonicContact OE2-NZ 2.62Å; E895-K897 PolarHBondContact OE2-NZ 3.48Å
896	R	88.7	Confident	91	Very high	213 Å²	213	52.1 Å²	52.1	80%	0.804	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	22.9	-176.9	-56.6	-177	176	-171.9	-2.3	115.3	F892 W893 I898	F892-R896 PolarHBondContact O-N 3.21Å; F892-R896 VanDerWaalsContact O-N 3.11Å; W893-R896 WeakPolarHBondContact O-CA 3.21Å; W893-R896 PolarHBondContact O-N 3.33Å; R896-I898 PolarHBondContact O-N 2.88Å; R896-I898 VanDerWaalsContact O-N 3.11Å
897	K	92.6	Very high	91	Very high	92 Å²	92	56.8 Å²	56.8	40%	0.4	26%	0.259	S	S	.	.			trans	-87.5	70.9	178.8	-69.6	171.3	-173.4	162	0	110.9	F892 E895 T899 K900 S901	F892-K897 HydrophobicContact CB-CB 4.44Å; F892-K897 HydrophobicContact CD1-CB 4.48Å; F892-K897 HydrophobicContact CD1-CD 4.22Å; F892-K897 PolarHBondContact O-N 3.16Å; E895-K897 HydrophobicContact CB-CD 4.19Å; E895-K897 HydrophobicContact CB-CG 4.35Å; E895-K897 PolarHBondContact O-N 2.75Å; E895-K897 WeakPolarHBondContact OE2-CD 3.47Å; E895-K897 WeakPolarHBondContact OE2-CE 3.19Å; E895-K897 IonicContact OE2-NZ 2.62Å; E895-K897 PolarHBondContact OE2-NZ 3.48Å; K897-T899 PolarHBondContact O-N 2.76Å; K897-K900 PolarHBondContact O-N 2.78Å; K897-S901 WeakPolarHBondContact O-CB 3.18Å; K897-S901 PolarHBondContact O-N 3.13Å
898	I	92.5	Very high	91	Very high	67 Å²	67	56.3 Å²	56.3	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-54.3	-43.2	-169.5	61.5	177.3	0	0	0	114.3	R896 S901 R902 F925 H929	R896-I898 PolarHBondContact O-N 2.88Å; R896-I898 VanDerWaalsContact O-N 3.11Å; I898-S901 WeakPolarHBondContact O-CB 3.33Å; I898-S901 PolarHBondContact O-N 2.81Å; I898-R902 PolarHBondContact O-N 2.92Å; I898-F925 HydrophobicContact CB-CE2 4.4Å; I898-F925 HydrophobicContact CB-CZ 4.26Å; I898-F925 HydrophobicContact CG2-CE2 4.33Å; I898-F925 WeakPolarHBondContact O-CZ 3.49Å; I898-H929 HydrophobicContact CG2-CB 4.09Å
899	T	92.3	Very high	90.9	Very high	105 Å²	105	56.6 Å²	56.6	64%	0.644	26%	0.257	S	S	*	.	H	α-helix	trans	-63.9	-47.3	-177.4	49.9	0	0	0	0	112.1	K897 R902 E903	K897-T899 PolarHBondContact O-N 2.76Å; T899-R902 PolarHBondContact O-N 3.4Å; T899-E903 PolarHBondContact O-N 3.02Å
900	K	93.2	Very high	90.8	Very high	114 Å²	114	65 Å²	65	50%	0.496	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-42.8	174	-63.8	-165.6	175.9	-166.1	0	111.1	F892 K897 R902 E903 W904	F892-K900 HydrophobicContact CD2-CB 4.36Å; F892-K900 HydrophobicContact CG-CB 4.3Å; K897-K900 PolarHBondContact O-N 2.78Å; K900-R902 VanDerWaalsContact C-N 3.27Å; K900-R902 PolarHBondContact O-N 3.07Å; K900-E903 WeakPolarHBondContact O-CB 3.44Å; K900-E903 PolarHBondContact O-N 2.93Å; K900-E903 VanDerWaalsContact O-N 3.16Å; K900-W904 PolarHBondContact O-N 3.13Å
901	S	91.9	Very high	90.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.8	-44.3	177.7	-163.6	0	0	0	0	112	A889 W893 K897 I898 W904 F905	A889-S901 PolarHBondContact O-OG 3.23Å; W893-S901 PolarHBondContact N-OG 3.45Å; K897-S901 WeakPolarHBondContact O-CB 3.18Å; K897-S901 PolarHBondContact O-N 3.13Å; I898-S901 WeakPolarHBondContact O-CB 3.33Å; I898-S901 PolarHBondContact O-N 2.81Å; S901-W904 PolarHBondContact O-N 3.46Å; S901-F905 WeakPolarHBondContact O-CD2 3.33Å; S901-F905 PolarHBondContact O-N 2.85Å; S901-F905 VanDerWaalsContact OG-CE2 3.32Å; S901-F905 WeakPolarHBondContact OG-CE2 3.33Å
902	R	91.3	Very high	90.4	Very high	51 Å²	51	69 Å²	69	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-45.9	176.7	-172.4	171.4	-70.1	129	0.9	112.3	I898 T899 K900 W904 F905 L906 F925 E926 H929	I898-R902 PolarHBondContact O-N 2.92Å; T899-R902 PolarHBondContact O-N 3.4Å; K900-R902 VanDerWaalsContact C-N 3.27Å; K900-R902 PolarHBondContact O-N 3.07Å; R902-W904 VanDerWaalsContact C-N 3.33Å; R902-W904 PolarHBondContact O-N 3.25Å; R902-F905 PolarHBondContact O-N 3.17Å; R902-L906 HydrophobicContact CG-CD1 4.2Å; R902-L906 WeakPolarHBondContact O-CB 3.31Å; R902-L906 WeakPolarHBondContact O-CG 3.23Å; R902-L906 PolarHBondContact O-N 3.23Å; R902-F925 HydrophobicContact CB-CE1 3.86Å; R902-F925 HydrophobicContact CB-CZ 4.16Å; R902-F925 HydrophobicContact CG-CE1 4.35Å; R902-E926 WeakPolarHBondContact CD-OE1 3.18Å; R902-E926 IonicContact CZ-OE1 2.66Å; R902-E926 IonicContact CZ-OE2 2.82Å; R902-E926 IonicContact NE-OE1 3.89Å; R902-E926 PolarHBondContact NE-OE1 3.29Å; R902-E926 IonicContact NE-OE2 3.78Å; R902-E926 PolarHBondContact NE-OE2 2.88Å; R902-E926 IonicContact NH2-OE1 3.23Å; R902-E926 IonicContact NH2-OE2 2.69Å; R902-E926 PolarHBondContact NH2-OE2 3.41Å; R902-H929 PolarHBondContact NH2-O 2.84Å
903	E	93.3	Very high	90	Very high	95 Å²	95	70.1 Å²	70.1	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-58.1	-43.7	175.9	-164.8	-151.7	139.6	0	0	111.9	T899 K900 L906 R907	T899-E903 PolarHBondContact O-N 3.02Å; K900-E903 WeakPolarHBondContact O-CB 3.44Å; K900-E903 PolarHBondContact O-N 2.93Å; K900-E903 VanDerWaalsContact O-N 3.16Å; E903-L906 PolarHBondContact O-N 3.27Å; E903-R907 WeakPolarHBondContact O-CB 3.46Å; E903-R907 PolarHBondContact O-N 3.06Å; E903-R907 IonicContact OE1-CZ 2.72Å; E903-R907 IonicContact OE1-NH2 3.98Å; E903-R907 PolarHBondContact OE1-NH2 3.45Å
904	W	92.3	Very high	89.8	Confident	38 Å²	38	72.3 Å²	72.3	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-72.9	-33	178.8	-76.4	80.5	0	0	0	113	L875 L885 V888 A889 F892 K900 S901 R902 T908	L875-W904 HydrophobicContact CD1-CH2 3.63Å; L875-W904 HydrophobicContact CD1-CZ3 3.89Å; L875-W904 HydrophobicContact CD2-CH2 4.34Å; L875-W904 HydrophobicContact CD2-CZ3 3.9Å; L885-W904 HydrophobicContact CD2-CE3 3.89Å; L885-W904 HydrophobicContact CD2-CZ3 3.54Å; V888-W904 HydrophobicContact CB-CD2 4.44Å; V888-W904 HydrophobicContact CB-CE3 3.95Å; V888-W904 HydrophobicContact CB-CZ3 4.32Å; V888-W904 HydrophobicContact CG1-CD2 3.55Å; V888-W904 HydrophobicContact CG1-CE3 3.48Å; V888-W904 VanDerWaalsContact CG1-CE3 3.48Å; V888-W904 HydrophobicContact CG1-CG 4.08Å; V888-W904 HydrophobicContact CG1-CH2 4.31Å; V888-W904 HydrophobicContact CG1-CZ2 4.38Å; V888-W904 HydrophobicContact CG1-CZ3 3.88Å; A889-W904 HydrophobicContact CB-CB 4Å; F892-W904 AromaticContact CD2-CD1 3.76Å; F892-W904 HydrophobicContact CD2-CG 4.06Å; F892-W904 AromaticContact CE2-CD1 3.62Å; F892-W904 HydrophobicContact CE2-CD2 4.24Å; F892-W904 AromaticContact CE2-CE2 3.94Å; F892-W904 HydrophobicContact CE2-CG 4.05Å; F892-W904 AromaticContact CE2-NE1 3.55Å; K900-W904 PolarHBondContact O-N 3.13Å; S901-W904 PolarHBondContact O-N 3.46Å; R902-W904 VanDerWaalsContact C-N 3.33Å; R902-W904 PolarHBondContact O-N 3.25Å; W904-T908 WeakPolarHBondContact O-CB 3.3Å; W904-T908 PolarHBondContact O-N 2.84Å; W904-T908 PolarHBondContact O-OG1 3.26Å
905	F	91.3	Very high	89.8	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-47.7	169.6	-79.8	-59.2	0	0	0	111.9	L886 A889 W893 S901 R902 R907 T908 V909 L921 F922 F925	L886-F905 HydrophobicContact CD1-CD1 4.24Å; L886-F905 HydrophobicContact CD1-CE1 3.83Å; A889-F905 HydrophobicContact CB-CD1 3.62Å; A889-F905 HydrophobicContact CB-CD2 4.1Å; A889-F905 HydrophobicContact CB-CE1 3.64Å; A889-F905 HydrophobicContact CB-CE2 4.11Å; A889-F905 HydrophobicContact CB-CG 3.84Å; A889-F905 HydrophobicContact CB-CZ 3.89Å; W893-F905 HydrophobicContact CE3-CZ 4.11Å; S901-F905 WeakPolarHBondContact O-CD2 3.33Å; S901-F905 PolarHBondContact O-N 2.85Å; S901-F905 VanDerWaalsContact OG-CE2 3.32Å; S901-F905 WeakPolarHBondContact OG-CE2 3.33Å; R902-F905 PolarHBondContact O-N 3.17Å; F905-R907 VanDerWaalsContact C-N 3.29Å; F905-R907 PolarHBondContact O-N 2.85Å; F905-T908 WeakPolarHBondContact O-CB 3.47Å; F905-T908 PolarHBondContact O-N 3.47Å; F905-T908 VanDerWaalsContact O-N 3.09Å; F905-V909 PolarHBondContact O-N 2.93Å; F905-L921 HydrophobicContact CE1-CB 4.04Å; F905-L921 HydrophobicContact CZ-CB 4.49Å; F905-F922 HydrophobicContact CB-CB 4.3Å; F905-F922 HydrophobicContact CB-CD1 4.46Å; F905-F922 HydrophobicContact CB-CD2 3.4Å; F905-F922 VanDerWaalsContact CB-CD2 3.4Å; F905-F922 HydrophobicContact CB-CE2 3.72Å; F905-F922 HydrophobicContact CB-CG 3.83Å; F905-F922 HydrophobicContact CB-CZ 4.38Å; F905-F922 HydrophobicContact CD1-CB 3.94Å; F905-F922 HydrophobicContact CD1-CD2 4.36Å; F905-F922 HydrophobicContact CD1-CG 4.39Å; F905-F922 HydrophobicContact CD2-CD2 4.02Å; F905-F922 HydrophobicContact CE1-CB 4.49Å; F905-F922 HydrophobicContact CG-CB 4.17Å; F905-F922 AromaticContact CG-CD2 3.71Å; F905-F922 HydrophobicContact CG-CD2 3.71Å; F905-F922 HydrophobicContact CG-CE2 4.41Å; F905-F922 HydrophobicContact CG-CG 4.15Å; F905-F925 HydrophobicContact CD2-CB 4.2Å; F905-F925 AromaticContact CD2-CD1 3.77Å; F905-F925 HydrophobicContact CD2-CD1 3.77Å; F905-F925 HydrophobicContact CD2-CD2 4.39Å; F905-F925 HydrophobicContact CD2-CE1 4.26Å; F905-F925 AromaticContact CD2-CG 3.85Å; F905-F925 HydrophobicContact CD2-CG 3.85Å; F905-F925 HydrophobicContact CE2-CB 3.6Å; F905-F925 AromaticContact CE2-CD1 3.92Å; F905-F925 HydrophobicContact CE2-CD1 3.92Å; F905-F925 AromaticContact CE2-CD2 3.8Å; F905-F925 HydrophobicContact CE2-CD2 3.8Å; F905-F925 HydrophobicContact CE2-CE2 4.5Å; F905-F925 AromaticContact CE2-CG 3.48Å; F905-F925 HydrophobicContact CE2-CG 3.48Å; F905-F925 VanDerWaalsContact CE2-CG 3.48Å; F905-F925 HydrophobicContact CZ-CB 4.11Å; F905-F925 HydrophobicContact CZ-CG 4.45Å
906	L	91.1	Very high	89.6	Confident	64 Å²	64	67.3 Å²	67.3	34%	0.335	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-41.9	175.4	-73.4	171.6	0	0	0	111.6	R902 E903 V909 K910 F922	R902-L906 HydrophobicContact CG-CD1 4.2Å; R902-L906 WeakPolarHBondContact O-CB 3.31Å; R902-L906 WeakPolarHBondContact O-CG 3.23Å; R902-L906 PolarHBondContact O-N 3.23Å; E903-L906 PolarHBondContact O-N 3.27Å; L906-V909 WeakPolarHBondContact O-CG2 3.36Å; L906-K910 VanDerWaalsContact O-CB 3.27Å; L906-K910 WeakPolarHBondContact O-CB 3.3Å; L906-K910 PolarHBondContact O-N 3.15Å; L906-K910 VanDerWaalsContact O-N 3.08Å; L906-F922 HydrophobicContact CD2-CE1 3.99Å; L906-F922 HydrophobicContact CD2-CZ 3.66Å; L906-F922 HydrophobicContact CG-CZ 4.01Å
907	R	90.6	Very high	89.4	Confident	108 Å²	108	57.8 Å²	57.8	41%	0.408	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-43.9	173.3	-166.2	-176.8	-61.5	-156	0.5	111.9	L885 E903 F905 K910 I911	L885-R907 HydrophobicContact CD1-CG 4.48Å; E903-R907 WeakPolarHBondContact O-CB 3.46Å; E903-R907 PolarHBondContact O-N 3.06Å; E903-R907 IonicContact OE1-CZ 2.72Å; E903-R907 IonicContact OE1-NH2 3.98Å; E903-R907 PolarHBondContact OE1-NH2 3.45Å; F905-R907 VanDerWaalsContact C-N 3.29Å; F905-R907 PolarHBondContact O-N 2.85Å; R907-K910 PolarHBondContact O-N 3.22Å; R907-I911 WeakPolarHBondContact O-CG1 3.22Å; R907-I911 PolarHBondContact O-N 3.21Å
908	T	89.4	Confident	89.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-53	178.3	-56	0	0	0	0	111.4	P882 L885 L886 W904 F905 K910 I911 E912 A918	P882-T908 WeakPolarHBondContact O-CG2 3.41Å; L885-T908 HydrophobicContact CB-CG2 4.24Å; L885-T908 VanDerWaalsContact CB-OG1 3.28Å; L885-T908 WeakPolarHBondContact CB-OG1 3.48Å; L886-T908 HydrophobicContact CB-CG2 4.01Å; L886-T908 PolarHBondContact N-OG1 3.05Å; W904-T908 WeakPolarHBondContact O-CB 3.3Å; W904-T908 PolarHBondContact O-N 2.84Å; W904-T908 PolarHBondContact O-OG1 3.26Å; F905-T908 WeakPolarHBondContact O-CB 3.47Å; F905-T908 PolarHBondContact O-N 3.47Å; F905-T908 VanDerWaalsContact O-N 3.09Å; T908-K910 VanDerWaalsContact C-N 3.26Å; T908-K910 PolarHBondContact O-N 3.1Å; T908-I911 PolarHBondContact O-N 3.17Å; T908-E912 PolarHBondContact O-N 2.91Å; T908-A918 HydrophobicContact CG2-CB 3.77Å
909	V	89.6	Confident	89.1	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	24%	0.242	C	C	.	.	H	α-helix	trans	-72.9	-17.8	-177.2	-58.4	0	0	0	0	113.7	F905 L906 P913 A918 W919 F922	F905-V909 PolarHBondContact O-N 2.93Å; L906-V909 WeakPolarHBondContact O-CG2 3.36Å; V909-P913 WeakPolarHBondContact O-CG 3.39Å; V909-A918 HydrophobicContact CG1-CB 4.22Å; V909-W919 HydrophobicContact CB-CD2 4.49Å; V909-W919 HydrophobicContact CB-CE3 4.45Å; V909-W919 HydrophobicContact CB-CH2 3.52Å; V909-W919 HydrophobicContact CB-CZ2 3.61Å; V909-W919 HydrophobicContact CB-CZ3 3.99Å; V909-W919 HydrophobicContact CG1-CD2 3.96Å; V909-W919 HydrophobicContact CG1-CE3 3.94Å; V909-W919 HydrophobicContact CG1-CH2 3.93Å; V909-W919 HydrophobicContact CG1-CZ2 4.01Å; V909-W919 HydrophobicContact CG1-CZ3 3.92Å; V909-W919 HydrophobicContact CG2-CH2 3.69Å; V909-W919 HydrophobicContact CG2-CZ2 4.28Å; V909-W919 HydrophobicContact CG2-CZ3 4.04Å; V909-F922 HydrophobicContact CG1-CD1 4.1Å; V909-F922 HydrophobicContact CG2-CD1 4.48Å; V909-F922 HydrophobicContact CG2-CE1 4.31Å
910	K	89	Confident	88.8	Confident	176 Å²	176	45.6 Å²	45.6	77%	0.765	21%	0.211	S	C	*	.	H	α-helix	trans	-75.7	-34.1	172.8	-173.4	75.2	176.7	-172.5	0	112	L906 R907 T908	L906-K910 VanDerWaalsContact O-CB 3.27Å; L906-K910 WeakPolarHBondContact O-CB 3.3Å; L906-K910 PolarHBondContact O-N 3.15Å; L906-K910 VanDerWaalsContact O-N 3.08Å; R907-K910 PolarHBondContact O-N 3.22Å; T908-K910 VanDerWaalsContact C-N 3.26Å; T908-K910 PolarHBondContact O-N 3.1Å
911	I	88	Confident	88.6	Confident	80 Å²	80	40.6 Å²	40.6	41%	0.41	19%	0.19	S	C	.	.	H	α-helix	trans	-75.8	-52.1	179.6	-64.9	-66.8	0	0	0	110.9	H880 P882 L885 R907 T908	H880-I911 WeakPolarHBondContact O-CG2 3.49Å; P882-I911 HydrophobicContact CG-CG2 4.14Å; L885-I911 HydrophobicContact CD1-CB 4.25Å; L885-I911 HydrophobicContact CD1-CG1 3.8Å; R907-I911 WeakPolarHBondContact O-CG1 3.22Å; R907-I911 PolarHBondContact O-N 3.21Å; T908-I911 PolarHBondContact O-N 3.17Å
912	E	82.9	Confident	88.5	Confident	89 Å²	89	40.7 Å²	40.7	42%	0.416	19%	0.19	S	C	.	.			trans	-130.9	103.2	169.9	-77.7	-166	-179.6	0	0	112.3	P882 T908 D914	P882-E912 HydrophobicContact CB-CB 4.19Å; P882-E912 HydrophobicContact CG-CB 3.54Å; P882-E912 HydrophobicContact CG-CG 3.48Å; P882-E912 VanDerWaalsContact CG-CG 3.48Å; T908-E912 PolarHBondContact O-N 2.91Å; E912-D914 PolarHBondContact O-N 3.09Å
913	P	84.9	Confident	88.4	Confident	58 Å²	58	40 Å²	40	38%	0.377	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.4	169.7	-21.5	32.5	0	0	0	114.6	V909 L915 W919 A945	V909-P913 WeakPolarHBondContact O-CG 3.39Å; P913-L915 VanDerWaalsContact C-N 3.34Å; P913-W919 HydrophobicContact CB-CZ2 4.36Å; P913-W919 PolarHBondContact O-NE1 3.31Å; P913-A945 HydrophobicContact CB-CB 3.74Å; P913-A945 WeakPolarHBondContact O-CB 2.79Å
914	D	86.5	Confident	88.3	Confident	53 Å²	53	36.4 Å²	36.4	28%	0.283	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7	-174.8	-167.7	26	0	0	0	113.9	E912 G916 P947 R948 H949	E912-D914 PolarHBondContact O-N 3.09Å; D914-G916 PolarHBondContact O-N 3.48Å; D914-P947 WeakPolarHBondContact O-CA 3.4Å; D914-P947 VanDerWaalsContact O-CB 3.3Å; D914-P947 WeakPolarHBondContact O-CB 3.12Å; D914-P947 WeakPolarHBondContact OD1-CA 3.37Å; D914-R948 PolarHBondContact O-N 2.95Å; D914-R948 VanDerWaalsContact O-N 3.08Å; D914-R948 WeakPolarHBondContact OD1-CB 3.41Å; D914-R948 PolarHBondContact OD1-N 3.28Å; D914-H949 PolarHBondContact O-N 2.87Å; D914-H949 VanDerWaalsContact O-N 3.08Å; D914-H949 IonicContact OD2-CE1 3.17Å; D914-H949 PolarHBondContact OD2-CE1 2.72Å; D914-H949 IonicContact OD2-CG 2.78Å; D914-H949 IonicContact OD2-ND1 2.68Å; D914-H949 PolarHBondContact OD2-ND1 3.33Å
915	L	86.8	Confident	88.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-89	97.4	-176.2	-158.9	170.8	0	0	0	111.1	P882 L886 P913 D917 A918	P882-L915 HydrophobicContact CB-CD1 3.45Å; P882-L915 VanDerWaalsContact CB-CD1 3.45Å; P882-L915 HydrophobicContact CG-CD1 4.36Å; L886-L915 HydrophobicContact CD2-CD2 4.31Å; P913-L915 VanDerWaalsContact C-N 3.34Å; L915-D917 VanDerWaalsContact C-N 3.33Å; L915-D917 HydrophobicContact CD2-CB 3.69Å; L915-D917 PolarHBondContact O-N 3.24Å; L915-A918 HydrophobicContact CD2-CB 4.03Å; L915-A918 WeakPolarHBondContact O-CB 3.45Å; L915-A918 PolarHBondContact O-N 3.46Å; L915-A918 VanDerWaalsContact O-N 3.13Å
916	G	84.1	Confident	88.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-29.5	-174.5	0	0	0	0	0	115.2	D914 A918 W919 A920 H949	D914-G916 PolarHBondContact O-N 3.48Å; G916-A918 VanDerWaalsContact C-N 3.28Å; G916-A918 PolarHBondContact O-N 3.42Å; G916-W919 PolarHBondContact O-N 3.5Å; G916-A920 WeakPolarHBondContact O-CB 3.31Å; G916-A920 PolarHBondContact O-N 2.82Å; G916-H949 PolarHBondContact N-O 3.48Å
917	D	84.4	Confident	88	Confident	14 Å²	14	35.9 Å²	35.9	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-31.7	175.8	-59.5	-10.1	0	0	0	112	L886 L915 L921 G950 E951 L952 W953	L886-D917 HydrophobicContact CD2-CB 4.29Å; L915-D917 VanDerWaalsContact C-N 3.33Å; L915-D917 HydrophobicContact CD2-CB 3.69Å; L915-D917 PolarHBondContact O-N 3.24Å; D917-L921 WeakPolarHBondContact O-CB 3.42Å; D917-L921 WeakPolarHBondContact O-CD1 3.31Å; D917-L921 WeakPolarHBondContact O-CG 3.15Å; D917-L921 PolarHBondContact O-N 2.99Å; D917-G950 VanDerWaalsContact CG-CA 3.46Å; D917-G950 WeakPolarHBondContact OD1-CA 3.48Å; D917-G950 WeakPolarHBondContact OD2-CA 3.49Å; D917-E951 VanDerWaalsContact CG-N 3.3Å; D917-E951 PolarHBondContact OD1-N 2.97Å; D917-E951 PolarHBondContact OD2-N 3.45Å; D917-L952 WeakPolarHBondContact OD1-CA 3.04Å; D917-L952 WeakPolarHBondContact OD1-CB 3.42Å; D917-L952 PolarHBondContact OD1-N 2.81Å; D917-L952 PolarHBondContact OD2-N 3.48Å; D917-W953 PolarHBondContact OD1-N 3.41Å
918	A	88.4	Confident	87.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.3	-46.6	175.8	0	0	0	0	0	110.5	L886 T908 V909 L915 G916 L921 F922	L886-A918 HydrophobicContact CD1-CB 4.12Å; L886-A918 HydrophobicContact CD2-CB 4.16Å; T908-A918 HydrophobicContact CG2-CB 3.77Å; V909-A918 HydrophobicContact CG1-CB 4.22Å; L915-A918 HydrophobicContact CD2-CB 4.03Å; L915-A918 WeakPolarHBondContact O-CB 3.45Å; L915-A918 PolarHBondContact O-N 3.46Å; L915-A918 VanDerWaalsContact O-N 3.13Å; G916-A918 VanDerWaalsContact C-N 3.28Å; G916-A918 PolarHBondContact O-N 3.42Å; A918-L921 PolarHBondContact O-N 3.15Å; A918-F922 WeakPolarHBondContact O-CB 3.23Å; A918-F922 PolarHBondContact O-N 3.42Å
919	W	89.3	Confident	87.8	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-43.9	174.2	-66.1	109.5	0	0	0	112.6	V909 P913 G916 F922 Y923 V938 R941 C942 A945 L971	V909-W919 HydrophobicContact CB-CD2 4.49Å; V909-W919 HydrophobicContact CB-CE3 4.45Å; V909-W919 HydrophobicContact CB-CH2 3.52Å; V909-W919 HydrophobicContact CB-CZ2 3.61Å; V909-W919 HydrophobicContact CB-CZ3 3.99Å; V909-W919 HydrophobicContact CG1-CD2 3.96Å; V909-W919 HydrophobicContact CG1-CE3 3.94Å; V909-W919 HydrophobicContact CG1-CH2 3.93Å; V909-W919 HydrophobicContact CG1-CZ2 4.01Å; V909-W919 HydrophobicContact CG1-CZ3 3.92Å; V909-W919 HydrophobicContact CG2-CH2 3.69Å; V909-W919 HydrophobicContact CG2-CZ2 4.28Å; V909-W919 HydrophobicContact CG2-CZ3 4.04Å; P913-W919 HydrophobicContact CB-CZ2 4.36Å; P913-W919 PolarHBondContact O-NE1 3.31Å; G916-W919 PolarHBondContact O-N 3.5Å; W919-F922 HydrophobicContact CE3-CD1 4.25Å; W919-F922 HydrophobicContact CZ3-CD1 4.2Å; W919-F922 HydrophobicContact CZ3-CE1 4.45Å; W919-F922 PolarHBondContact O-N 3.06Å; W919-Y923 VanDerWaalsContact O-CB 3.28Å; W919-Y923 WeakPolarHBondContact O-CB 3.36Å; W919-Y923 PolarHBondContact O-N 2.85Å; W919-V938 HydrophobicContact CE3-CG1 3.95Å; W919-V938 HydrophobicContact CZ3-CG1 4.34Å; W919-R941 HydrophobicContact CH2-CB 3.42Å; W919-R941 VanDerWaalsContact CH2-CB 3.42Å; W919-R941 HydrophobicContact CH2-CG 4.43Å; W919-R941 HydrophobicContact CZ2-CB 4.36Å; W919-R941 HydrophobicContact CZ3-CB 3.57Å; W919-C942 HydrophobicContact CB-CB 4.28Å; W919-C942 HydrophobicContact CD2-CB 3.89Å; W919-C942 HydrophobicContact CE3-CB 3.96Å; W919-C942 HydrophobicContact CG-CB 4.04Å; W919-A945 HydrophobicContact CZ2-CB 4.37Å; W919-L971 HydrophobicContact CB-CD1 3.81Å
920	A	87.4	Confident	87.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-40.4	-179.3	0	0	0	0	0	112.8	G916 K924 L971 V974 I978	G916-A920 WeakPolarHBondContact O-CB 3.31Å; G916-A920 PolarHBondContact O-N 2.82Å; A920-K924 VanDerWaalsContact O-CB 3.26Å; A920-K924 WeakPolarHBondContact O-CB 3.27Å; A920-K924 PolarHBondContact O-N 2.83Å; A920-K924 VanDerWaalsContact O-N 3.12Å; A920-L971 HydrophobicContact CB-CD1 4.27Å; A920-V974 HydrophobicContact CB-CB 3.85Å; A920-V974 HydrophobicContact CB-CG1 3.39Å; A920-I978 HydrophobicContact CB-CD1 4.19Å
921	L	87.9	Confident	87.7	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-70.9	-37.1	174.5	-76.5	161.9	0	0	0	112.3	L886 K890 W893 F905 D917 A918 F925 I978	L886-L921 HydrophobicContact CD1-CB 4.14Å; L886-L921 HydrophobicContact CD1-CD1 3.74Å; L886-L921 HydrophobicContact CD2-CD1 3.94Å; L886-L921 HydrophobicContact CG-CD1 3.94Å; K890-L921 HydrophobicContact CD-CD1 3.8Å; K890-L921 HydrophobicContact CD-CD2 4.48Å; K890-L921 HydrophobicContact CG-CD1 4.18Å; K890-L921 HydrophobicContact CG-CD2 4.47Å; W893-L921 HydrophobicContact CZ3-CD2 4.03Å; F905-L921 HydrophobicContact CE1-CB 4.04Å; F905-L921 HydrophobicContact CZ-CB 4.49Å; D917-L921 WeakPolarHBondContact O-CB 3.42Å; D917-L921 WeakPolarHBondContact O-CD1 3.31Å; D917-L921 WeakPolarHBondContact O-CG 3.15Å; D917-L921 PolarHBondContact O-N 2.99Å; A918-L921 PolarHBondContact O-N 3.15Å; L921-F925 WeakPolarHBondContact O-CB 3.44Å; L921-F925 PolarHBondContact O-N 2.71Å; L921-I978 HydrophobicContact CD2-CD1 3.93Å; L921-I978 HydrophobicContact CD2-CG2 4.16Å; L921-I978 HydrophobicContact CG-CD1 4.05Å
922	F	89.7	Confident	87.8	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-46.3	177.9	-176.3	-153.8	0	0	0	111.8	F905 L906 V909 A918 W919 K924 F925 E926 V938	F905-F922 HydrophobicContact CB-CB 4.3Å; F905-F922 HydrophobicContact CB-CD1 4.46Å; F905-F922 HydrophobicContact CB-CD2 3.4Å; F905-F922 VanDerWaalsContact CB-CD2 3.4Å; F905-F922 HydrophobicContact CB-CE2 3.72Å; F905-F922 HydrophobicContact CB-CG 3.83Å; F905-F922 HydrophobicContact CB-CZ 4.38Å; F905-F922 HydrophobicContact CD1-CB 3.94Å; F905-F922 HydrophobicContact CD1-CD2 4.36Å; F905-F922 HydrophobicContact CD1-CG 4.39Å; F905-F922 HydrophobicContact CD2-CD2 4.02Å; F905-F922 HydrophobicContact CE1-CB 4.49Å; F905-F922 HydrophobicContact CG-CB 4.17Å; F905-F922 AromaticContact CG-CD2 3.71Å; F905-F922 HydrophobicContact CG-CD2 3.71Å; F905-F922 HydrophobicContact CG-CE2 4.41Å; F905-F922 HydrophobicContact CG-CG 4.15Å; L906-F922 HydrophobicContact CD2-CE1 3.99Å; L906-F922 HydrophobicContact CD2-CZ 3.66Å; L906-F922 HydrophobicContact CG-CZ 4.01Å; V909-F922 HydrophobicContact CG1-CD1 4.1Å; V909-F922 HydrophobicContact CG2-CD1 4.48Å; V909-F922 HydrophobicContact CG2-CE1 4.31Å; A918-F922 WeakPolarHBondContact O-CB 3.23Å; A918-F922 PolarHBondContact O-N 3.42Å; W919-F922 HydrophobicContact CE3-CD1 4.25Å; W919-F922 HydrophobicContact CZ3-CD1 4.2Å; W919-F922 HydrophobicContact CZ3-CE1 4.45Å; W919-F922 PolarHBondContact O-N 3.06Å; F922-K924 VanDerWaalsContact C-N 3.3Å; F922-K924 PolarHBondContact O-N 3.45Å; F922-F925 HydrophobicContact CD2-CD1 4.19Å; F922-F925 HydrophobicContact CE2-CD1 4.43Å; F922-F925 WeakPolarHBondContact O-CB 3.42Å; F922-F925 PolarHBondContact O-N 2.91Å; F922-F925 VanDerWaalsContact O-N 3.12Å; F922-E926 HydrophobicContact CD2-CG 4.08Å; F922-E926 HydrophobicContact CE2-CG 3.84Å; F922-E926 VanDerWaalsContact CE2-OE1 3.26Å; F922-E926 WeakPolarHBondContact CE2-OE1 3.26Å; F922-E926 PolarHBondContact O-N 3.29Å; F922-V938 HydrophobicContact CB-CG1 4.46Å; F922-V938 HydrophobicContact CD1-CB 4.35Å; F922-V938 HydrophobicContact CD1-CG1 3.72Å; F922-V938 HydrophobicContact CD1-CG2 3.67Å; F922-V938 HydrophobicContact CD2-CG2 4.27Å; F922-V938 HydrophobicContact CE1-CB 4.38Å; F922-V938 HydrophobicContact CE1-CG1 4.22Å; F922-V938 HydrophobicContact CE1-CG2 3.4Å; F922-V938 VanDerWaalsContact CE1-CG2 3.4Å; F922-V938 HydrophobicContact CE2-CG2 4.03Å; F922-V938 HydrophobicContact CG-CG1 4.15Å; F922-V938 HydrophobicContact CG-CG2 4.1Å; F922-V938 HydrophobicContact CZ-CG2 3.58Å
923	Y	90.3	Very high	88.2	Confident	38 Å²	38	41.3 Å²	41.3	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-42.2	174.8	-176.9	-115.6	0	0	0	111.2	W919 F925 E926 L927 Q935 V938 L971 A975	W919-Y923 VanDerWaalsContact O-CB 3.28Å; W919-Y923 WeakPolarHBondContact O-CB 3.36Å; W919-Y923 PolarHBondContact O-N 2.85Å; Y923-F925 PolarHBondContact O-N 2.91Å; Y923-E926 PolarHBondContact O-N 3.02Å; Y923-L927 HydrophobicContact CD1-CD1 3.83Å; Y923-L927 HydrophobicContact CD1-CG 4.45Å; Y923-L927 HydrophobicContact CE1-CD1 3.52Å; Y923-L927 HydrophobicContact CE1-CG 4.16Å; Y923-L927 HydrophobicContact CE2-CG 4.5Å; Y923-L927 WeakPolarHBondContact O-CG 3.39Å; Y923-L927 PolarHBondContact O-N 3.48Å; Y923-Q935 HydrophobicContact CE2-CB 4.19Å; Y923-V938 HydrophobicContact CD2-CB 4.43Å; Y923-V938 HydrophobicContact CD2-CG1 4.32Å; Y923-L971 HydrophobicContact CD1-CD2 4.25Å; Y923-L971 HydrophobicContact CD1-CG 4.02Å; Y923-L971 HydrophobicContact CD2-CD2 4.28Å; Y923-L971 HydrophobicContact CG-CD2 3.96Å; Y923-L971 HydrophobicContact CG-CG 4.11Å; Y923-A975 HydrophobicContact CD1-CB 3.84Å; Y923-A975 HydrophobicContact CE1-CB 4.48Å
924	K	89.6	Confident	88.3	Confident	19 Å²	19	41.2 Å²	41.2	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-37	174.4	-170.5	-175.9	169.4	-165.9	0	113.2	W893 A920 F922 L927 Q928 A975 I978 K979 N980	W893-K924 HydrophobicContact CH2-CB 4.27Å; W893-K924 HydrophobicContact CH2-CD 3.89Å; W893-K924 HydrophobicContact CH2-CG 3.94Å; A920-K924 VanDerWaalsContact O-CB 3.26Å; A920-K924 WeakPolarHBondContact O-CB 3.27Å; A920-K924 PolarHBondContact O-N 2.83Å; A920-K924 VanDerWaalsContact O-N 3.12Å; F922-K924 VanDerWaalsContact C-N 3.3Å; F922-K924 PolarHBondContact O-N 3.45Å; K924-L927 PolarHBondContact O-N 3.3Å; K924-Q928 PolarHBondContact O-N 3.49Å; K924-A975 HydrophobicContact CB-CB 4.13Å; K924-A975 WeakPolarHBondContact CD-O 3.09Å; K924-I978 HydrophobicContact CD-CB 3.94Å; K924-I978 HydrophobicContact CD-CD1 4.49Å; K924-I978 HydrophobicContact CD-CG2 4.02Å; K924-I978 PolarHBondContact NZ-O 2.97Å; K924-K979 PolarHBondContact NZ-O 2.96Å; K924-N980 WeakPolarHBondContact CE-OD1 3.17Å; K924-N980 PolarHBondContact NZ-OD1 3.3Å
925	F	90.6	Very high	88.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-45.2	174.2	164.6	-96.4	0	0	0	111.3	W893 I898 R902 F905 L921 F922 Y923 Q928 H929	W893-F925 HydrophobicContact CB-CD2 4.44Å; W893-F925 AromaticContact CD1-CD2 3.8Å; W893-F925 HydrophobicContact CD2-CB 4.41Å; W893-F925 HydrophobicContact CD2-CD2 4.06Å; W893-F925 HydrophobicContact CE3-CB 4.42Å; W893-F925 AromaticContact CG-CD2 3.87Å; W893-F925 HydrophobicContact CG-CD2 3.87Å; W893-F925 HydrophobicContact CG-CE2 4.49Å; W893-F925 HydrophobicContact CH2-CB 4.48Å; W893-F925 HydrophobicContact CZ2-CB 4.45Å; W893-F925 HydrophobicContact CZ3-CB 4.46Å; W893-F925 AromaticContact NE1-CD2 3.96Å; I898-F925 HydrophobicContact CB-CE2 4.4Å; I898-F925 HydrophobicContact CB-CZ 4.26Å; I898-F925 HydrophobicContact CG2-CE2 4.33Å; I898-F925 WeakPolarHBondContact O-CZ 3.49Å; R902-F925 HydrophobicContact CB-CE1 3.86Å; R902-F925 HydrophobicContact CB-CZ 4.16Å; R902-F925 HydrophobicContact CG-CE1 4.35Å; F905-F925 HydrophobicContact CD2-CB 4.2Å; F905-F925 AromaticContact CD2-CD1 3.77Å; F905-F925 HydrophobicContact CD2-CD1 3.77Å; F905-F925 HydrophobicContact CD2-CD2 4.39Å; F905-F925 HydrophobicContact CD2-CE1 4.26Å; F905-F925 AromaticContact CD2-CG 3.85Å; F905-F925 HydrophobicContact CD2-CG 3.85Å; F905-F925 HydrophobicContact CE2-CB 3.6Å; F905-F925 AromaticContact CE2-CD1 3.92Å; F905-F925 HydrophobicContact CE2-CD1 3.92Å; F905-F925 AromaticContact CE2-CD2 3.8Å; F905-F925 HydrophobicContact CE2-CD2 3.8Å; F905-F925 HydrophobicContact CE2-CE2 4.5Å; F905-F925 AromaticContact CE2-CG 3.48Å; F905-F925 HydrophobicContact CE2-CG 3.48Å; F905-F925 VanDerWaalsContact CE2-CG 3.48Å; F905-F925 HydrophobicContact CZ-CB 4.11Å; F905-F925 HydrophobicContact CZ-CG 4.45Å; L921-F925 WeakPolarHBondContact O-CB 3.44Å; L921-F925 PolarHBondContact O-N 2.71Å; F922-F925 HydrophobicContact CD2-CD1 4.19Å; F922-F925 HydrophobicContact CE2-CD1 4.43Å; F922-F925 WeakPolarHBondContact O-CB 3.42Å; F922-F925 PolarHBondContact O-N 2.91Å; F922-F925 VanDerWaalsContact O-N 3.12Å; Y923-F925 PolarHBondContact O-N 2.91Å; F925-Q928 PolarHBondContact O-N 3.34Å; F925-Q928 VanDerWaalsContact O-N 3.09Å; F925-H929 AromaticContact CD2-CD2 3.83Å; F925-H929 HydrophobicContact CE2-CB 4.22Å; F925-H929 AromaticContact CE2-CD2 3.79Å; F925-H929 HydrophobicContact CZ-CB 4.38Å; F925-H929 PolarHBondContact O-N 2.89Å
926	E	89.6	Confident	88.4	Confident	3 Å²	3	45.8 Å²	45.8	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-72.4	-27.6	177.8	-59.4	-58.6	175.8	0	0	113.4	R902 F922 Y923 Q928 G930 Q934 Q935 V938	R902-E926 WeakPolarHBondContact CD-OE1 3.18Å; R902-E926 IonicContact CZ-OE1 2.66Å; R902-E926 IonicContact CZ-OE2 2.82Å; R902-E926 IonicContact NE-OE1 3.89Å; R902-E926 PolarHBondContact NE-OE1 3.29Å; R902-E926 IonicContact NE-OE2 3.78Å; R902-E926 PolarHBondContact NE-OE2 2.88Å; R902-E926 IonicContact NH2-OE1 3.23Å; R902-E926 IonicContact NH2-OE2 2.69Å; R902-E926 PolarHBondContact NH2-OE2 3.41Å; F922-E926 HydrophobicContact CD2-CG 4.08Å; F922-E926 HydrophobicContact CE2-CG 3.84Å; F922-E926 VanDerWaalsContact CE2-OE1 3.26Å; F922-E926 WeakPolarHBondContact CE2-OE1 3.26Å; F922-E926 PolarHBondContact O-N 3.29Å; Y923-E926 PolarHBondContact O-N 3.02Å; E926-Q928 PolarHBondContact O-N 3.09Å; E926-G930 VanDerWaalsContact O-CA 3.23Å; E926-G930 WeakPolarHBondContact O-CA 3.33Å; E926-G930 PolarHBondContact O-N 3.46Å; E926-G930 WeakPolarHBondContact OE2-CA 3.31Å; E926-Q934 PolarHBondContact OE2-OE1 3.06Å; E926-Q935 HydrophobicContact CB-CG 4.05Å; E926-Q935 PolarHBondContact O-NE2 3.08Å; E926-Q935 VanDerWaalsContact O-NE2 3.11Å; E926-V938 HydrophobicContact CG-CG2 3.92Å
927	L	88.5	Confident	88.5	Confident	87 Å²	87	49.5 Å²	49.5	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-25.2	167	-77.3	172	0	0	0	113.1	Y923 K924 Q935	Y923-L927 HydrophobicContact CD1-CD1 3.83Å; Y923-L927 HydrophobicContact CD1-CG 4.45Å; Y923-L927 HydrophobicContact CE1-CD1 3.52Å; Y923-L927 HydrophobicContact CE1-CG 4.16Å; Y923-L927 HydrophobicContact CE2-CG 4.5Å; Y923-L927 WeakPolarHBondContact O-CG 3.39Å; Y923-L927 PolarHBondContact O-N 3.48Å; K924-L927 PolarHBondContact O-N 3.3Å; L927-Q935 HydrophobicContact CD2-CG 4.45Å
928	Q	88.6	Confident	88.6	Confident	94 Å²	94	48.8 Å²	48.8	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-98.1	-27.2	-179.6	-167.7	177.9	-21.4	0	0	113.5	K924 F925 E926	K924-Q928 PolarHBondContact O-N 3.49Å; F925-Q928 PolarHBondContact O-N 3.34Å; F925-Q928 VanDerWaalsContact O-N 3.09Å; E926-Q928 PolarHBondContact O-N 3.09Å
929	H	87.2	Confident	88.6	Confident	63 Å²	63	54.5 Å²	54.5	29%	0.292	26%	0.262	S	S	.	.	H	α-helix	trans	-141.1	3.8	-167.8	-60.6	-52.7	0	0	0	115.2	W893 I898 R902 F925	W893-H929 AromaticContact CD1-CD2 3.81Å; W893-H929 AromaticContact CD1-NE2 3.65Å; W893-H929 AromaticContact NE1-CD2 3.44Å; W893-H929 PolarHBondContact NE1-CD2 3.24Å; W893-H929 AromaticContact NE1-NE2 3.26Å; W893-H929 PolarHBondContact NE1-NE2 3.25Å; I898-H929 HydrophobicContact CG2-CB 4.09Å; R902-H929 PolarHBondContact NH2-O 2.84Å; F925-H929 AromaticContact CD2-CD2 3.83Å; F925-H929 HydrophobicContact CE2-CB 4.22Å; F925-H929 AromaticContact CE2-CD2 3.79Å; F925-H929 HydrophobicContact CZ-CB 4.38Å; F925-H929 PolarHBondContact O-N 2.89Å
930	G	86.7	Confident	88.4	Confident	23 Å²	23	59.5 Å²	59.5	24%	0.237	28%	0.283	C	S	.	.	S	Bend	trans	-111	168.3	-176.6	0	0	0	0	0	113.8	E926	E926-G930 VanDerWaalsContact O-CA 3.23Å; E926-G930 WeakPolarHBondContact O-CA 3.33Å; E926-G930 PolarHBondContact O-N 3.46Å; E926-G930 WeakPolarHBondContact OE2-CA 3.31Å
931	T	91.5	Very high	88.3	Confident	77 Å²	77	64 Å²	64	47%	0.472	30%	0.3	S	S	.	.			trans	-82	160.8	168.1	53.5	0	0	0	0	111.1	E933 Q934 Q935	T931-E933 VanDerWaalsContact C-N 3.25Å; T931-E933 PolarHBondContact O-N 3.16Å; T931-Q934 WeakPolarHBondContact O-CB 3.35Å; T931-Q934 PolarHBondContact O-N 3.21Å; T931-Q934 WeakPolarHBondContact OG1-CG 3.42Å; T931-Q935 PolarHBondContact O-N 3.12Å; T931-Q935 VanDerWaalsContact O-N 3.14Å
932	E	89.9	Confident	88.2	Confident	160 Å²	160	63.5 Å²	63.5	75%	0.748	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-37.5	178.9	-62.1	-174.9	158.4	0	0	112.2	Q934 Q935 E936	E932-Q934 VanDerWaalsContact C-N 3.33Å; E932-Q934 PolarHBondContact O-N 3.12Å; E932-Q935 WeakPolarHBondContact O-CB 3.28Å; E932-Q935 PolarHBondContact O-N 3.39Å; E932-Q935 VanDerWaalsContact O-N 3.14Å; E932-E936 PolarHBondContact O-N 3.18Å
933	E	90.9	Very high	87.9	Confident	160 Å²	160	66.8 Å²	66.8	75%	0.748	31%	0.313	S	S	*	.	H	α-helix	trans	-58.3	-41.4	173.5	-174.1	-177.6	-169.1	0	0	112.6	T931 Q935 E936 E937	T931-E933 VanDerWaalsContact C-N 3.25Å; T931-E933 PolarHBondContact O-N 3.16Å; E933-Q935 VanDerWaalsContact C-N 3.35Å; E933-E936 PolarHBondContact O-N 2.77Å; E933-E937 WeakPolarHBondContact O-CB 3.41Å; E933-E937 PolarHBondContact O-N 2.94Å
934	Q	87.4	Confident	87.4	Confident	55 Å²	55	70.8 Å²	70.8	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-67.3	-37.5	176.7	-71.3	167.5	-4.4	0	0	111.1	E926 T931 E932 E937 V938	E926-Q934 PolarHBondContact OE2-OE1 3.06Å; T931-Q934 WeakPolarHBondContact O-CB 3.35Å; T931-Q934 PolarHBondContact O-N 3.21Å; T931-Q934 WeakPolarHBondContact OG1-CG 3.42Å; E932-Q934 VanDerWaalsContact C-N 3.33Å; E932-Q934 PolarHBondContact O-N 3.12Å; Q934-E937 WeakPolarHBondContact O-CB 3.28Å; Q934-E937 PolarHBondContact O-N 3.26Å; Q934-V938 WeakPolarHBondContact O-CG2 3.21Å; Q934-V938 PolarHBondContact O-N 3.5Å
935	Q	87.6	Confident	86.8	Confident	41 Å²	41	71.5 Å²	71.5	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-41.6	175.6	-62.1	166.7	19.1	0	0	111.3	Y923 E926 L927 T931 E932 E933 R939	Y923-Q935 HydrophobicContact CE2-CB 4.19Å; E926-Q935 HydrophobicContact CB-CG 4.05Å; E926-Q935 PolarHBondContact O-NE2 3.08Å; E926-Q935 VanDerWaalsContact O-NE2 3.11Å; L927-Q935 HydrophobicContact CD2-CG 4.45Å; T931-Q935 PolarHBondContact O-N 3.12Å; T931-Q935 VanDerWaalsContact O-N 3.14Å; E932-Q935 WeakPolarHBondContact O-CB 3.28Å; E932-Q935 PolarHBondContact O-N 3.39Å; E932-Q935 VanDerWaalsContact O-N 3.14Å; E933-Q935 VanDerWaalsContact C-N 3.35Å; Q935-R939 WeakPolarHBondContact O-CB 3.3Å; Q935-R939 PolarHBondContact O-N 3.17Å; Q935-R939 VanDerWaalsContact O-N 3.08Å
936	E	87	Confident	86.3	Confident	110 Å²	110	74 Å²	74	51%	0.514	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-41.4	171.2	-73.5	-157.3	177.8	0	0	112.7	E932 E933 R939 K940	E932-E936 PolarHBondContact O-N 3.18Å; E933-E936 PolarHBondContact O-N 2.77Å; E936-R939 PolarHBondContact O-N 2.84Å; E936-K940 WeakPolarHBondContact O-CB 3.12Å; E936-K940 VanDerWaalsContact O-CG 3.3Å; E936-K940 WeakPolarHBondContact O-CG 3.4Å; E936-K940 PolarHBondContact O-N 3.37Å; E936-K940 WeakPolarHBondContact OE2-CE 3.36Å; E936-K940 IonicContact OE2-NZ 2.68Å; E936-K940 PolarHBondContact OE2-NZ 3.19Å
937	E	85.8	Confident	86	Confident	77 Å²	77	74.1 Å²	74.1	36%	0.36	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-46	178.7	-168.1	-167.2	-161.8	0	0	111.3	E933 Q934 R941	E933-E937 WeakPolarHBondContact O-CB 3.41Å; E933-E937 PolarHBondContact O-N 2.94Å; Q934-E937 WeakPolarHBondContact O-CB 3.28Å; Q934-E937 PolarHBondContact O-N 3.26Å; E937-R941 WeakPolarHBondContact O-CB 3.2Å; E937-R941 WeakPolarHBondContact O-CG 3.47Å; E937-R941 PolarHBondContact O-N 3.35Å; E937-R941 IonicContact OE1-CZ 3.89Å; E937-R941 IonicContact OE1-NH1 3.49Å; E937-R941 PolarHBondContact OE1-NH1 3.19Å; E937-R941 IonicContact OE1-NH2 3.31Å; E937-R941 PolarHBondContact OE1-NH2 2.8Å; E937-R941 IonicContact OE2-NH1 2.73Å; E937-R941 PolarHBondContact OE2-NH1 3.03Å
938	V	87.3	Confident	85.4	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-43.9	175.3	179.4	0	0	0	0	111.1	W919 F922 Y923 E926 Q934 R941 C942	W919-V938 HydrophobicContact CE3-CG1 3.95Å; W919-V938 HydrophobicContact CZ3-CG1 4.34Å; F922-V938 HydrophobicContact CB-CG1 4.46Å; F922-V938 HydrophobicContact CD1-CB 4.35Å; F922-V938 HydrophobicContact CD1-CG1 3.72Å; F922-V938 HydrophobicContact CD1-CG2 3.67Å; F922-V938 HydrophobicContact CD2-CG2 4.27Å; F922-V938 HydrophobicContact CE1-CB 4.38Å; F922-V938 HydrophobicContact CE1-CG1 4.22Å; F922-V938 HydrophobicContact CE1-CG2 3.4Å; F922-V938 VanDerWaalsContact CE1-CG2 3.4Å; F922-V938 HydrophobicContact CE2-CG2 4.03Å; F922-V938 HydrophobicContact CG-CG1 4.15Å; F922-V938 HydrophobicContact CG-CG2 4.1Å; F922-V938 HydrophobicContact CZ-CG2 3.58Å; Y923-V938 HydrophobicContact CD2-CB 4.43Å; Y923-V938 HydrophobicContact CD2-CG1 4.32Å; E926-V938 HydrophobicContact CG-CG2 3.92Å; Q934-V938 WeakPolarHBondContact O-CG2 3.21Å; Q934-V938 PolarHBondContact O-N 3.5Å; V938-R941 PolarHBondContact O-N 3.25Å; V938-C942 WeakPolarHBondContact O-CB 3.41Å; V938-C942 PolarHBondContact O-N 3.4Å
939	R	87.9	Confident	85.1	Confident	120 Å²	120	78.5 Å²	78.5	45%	0.453	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-50	178.6	-178.8	178.1	171.1	178.1	-2.3	111.9	Q935 E936 R941 C942 E943	Q935-R939 WeakPolarHBondContact O-CB 3.3Å; Q935-R939 PolarHBondContact O-N 3.17Å; Q935-R939 VanDerWaalsContact O-N 3.08Å; E936-R939 PolarHBondContact O-N 2.84Å; R939-R941 VanDerWaalsContact C-N 3.32Å; R939-R941 PolarHBondContact O-N 3Å; R939-C942 PolarHBondContact O-N 3.5Å; R939-E943 HydrophobicContact CG-CG 4.46Å; R939-E943 IonicContact CZ-OE1 2.71Å; R939-E943 IonicContact NE-OE1 3.24Å; R939-E943 PolarHBondContact NE-OE1 3.27Å; R939-E943 IonicContact NH2-OE1 2.99Å; R939-E943 PolarHBondContact NH2-OE1 3.23Å; R939-E943 WeakPolarHBondContact O-CG 3.36Å; R939-E943 PolarHBondContact O-N 2.85Å
940	K	85.5	Confident	84.7	Confident	111 Å²	111	76 Å²	76	48%	0.483	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-42.2	178.3	-73.7	166.4	-175.2	161.6	0	111.4	E936 E943 N944	E936-K940 WeakPolarHBondContact O-CB 3.12Å; E936-K940 VanDerWaalsContact O-CG 3.3Å; E936-K940 WeakPolarHBondContact O-CG 3.4Å; E936-K940 PolarHBondContact O-N 3.37Å; E936-K940 WeakPolarHBondContact OE2-CE 3.36Å; E936-K940 IonicContact OE2-NZ 2.68Å; E936-K940 PolarHBondContact OE2-NZ 3.19Å; K940-E943 PolarHBondContact O-N 3.46Å; K940-N944 WeakPolarHBondContact O-CB 3.12Å; K940-N944 PolarHBondContact O-N 2.81Å; K940-N944 PolarHBondContact O-ND2 3.13Å
941	R	85.1	Confident	84.4	Confident	95 Å²	95	78 Å²	78	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-41.2	175.5	-73.1	179.8	170.6	138.1	8.7	113	W919 E937 V938 R939 N944 A945	W919-R941 HydrophobicContact CH2-CB 3.42Å; W919-R941 VanDerWaalsContact CH2-CB 3.42Å; W919-R941 HydrophobicContact CH2-CG 4.43Å; W919-R941 HydrophobicContact CZ2-CB 4.36Å; W919-R941 HydrophobicContact CZ3-CB 3.57Å; E937-R941 WeakPolarHBondContact O-CB 3.2Å; E937-R941 WeakPolarHBondContact O-CG 3.47Å; E937-R941 PolarHBondContact O-N 3.35Å; E937-R941 IonicContact OE1-CZ 3.89Å; E937-R941 IonicContact OE1-NH1 3.49Å; E937-R941 PolarHBondContact OE1-NH1 3.19Å; E937-R941 IonicContact OE1-NH2 3.31Å; E937-R941 PolarHBondContact OE1-NH2 2.8Å; E937-R941 IonicContact OE2-NH1 2.73Å; E937-R941 PolarHBondContact OE2-NH1 3.03Å; V938-R941 PolarHBondContact O-N 3.25Å; R939-R941 VanDerWaalsContact C-N 3.32Å; R939-R941 PolarHBondContact O-N 3Å; R941-N944 PolarHBondContact O-N 2.8Å; R941-A945 WeakPolarHBondContact O-CB 3.42Å; R941-A945 PolarHBondContact O-N 2.92Å
942	C	85	Confident	84	Confident	0 Å²	0	78 Å²	78	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64	-42.9	175.1	-177.2	0	0	0	0	112.1	W919 V938 R939 N944 A945 E946 P947 L971	W919-C942 HydrophobicContact CB-CB 4.28Å; W919-C942 HydrophobicContact CD2-CB 3.89Å; W919-C942 HydrophobicContact CE3-CB 3.96Å; W919-C942 HydrophobicContact CG-CB 4.04Å; V938-C942 WeakPolarHBondContact O-CB 3.41Å; V938-C942 PolarHBondContact O-N 3.4Å; R939-C942 PolarHBondContact O-N 3.5Å; C942-N944 PolarHBondContact O-N 2.88Å; C942-A945 PolarHBondContact O-N 3.46Å; C942-E946 PolarHBondContact O-N 3.15Å; C942-E946 VanDerWaalsContact O-N 3.15Å; C942-P947 VanDerWaalsContact O-CD 3.3Å; C942-P947 WeakPolarHBondContact O-CD 3.45Å; C942-L971 HydrophobicContact CB-CD2 4Å
943	E	84.2	Confident	83.8	Confident	70 Å²	70	70.8 Å²	70.8	33%	0.327	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-39.5	176	-72.9	175.9	-177.5	0	0	111.8	R939 K940	R939-E943 HydrophobicContact CG-CG 4.46Å; R939-E943 IonicContact CZ-OE1 2.71Å; R939-E943 IonicContact NE-OE1 3.24Å; R939-E943 PolarHBondContact NE-OE1 3.27Å; R939-E943 IonicContact NH2-OE1 2.99Å; R939-E943 PolarHBondContact NH2-OE1 3.23Å; R939-E943 WeakPolarHBondContact O-CG 3.36Å; R939-E943 PolarHBondContact O-N 2.85Å; K940-E943 PolarHBondContact O-N 3.46Å
944	N	80.6	Confident	83.4	Confident	122 Å²	122	64.3 Å²	64.3	65%	0.652	30%	0.3	S	S	*	.	H	α-helix	trans	-65.9	-35.7	174.8	-72.4	-14.6	0	0	0	113.4	K626 K940 R941 C942	K626-N944 PolarHBondContact NZ-O 3.49Å; K940-N944 WeakPolarHBondContact O-CB 3.12Å; K940-N944 PolarHBondContact O-N 2.81Å; K940-N944 PolarHBondContact O-ND2 3.13Å; R941-N944 PolarHBondContact O-N 2.8Å; C942-N944 PolarHBondContact O-N 2.88Å
945	A	76.8	Confident	83.1	Confident	33 Å²	33	64.4 Å²	64.4	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-79.2	-25.6	-176.6	0	0	0	0	0	114.5	P913 W919 R941 C942	P913-A945 HydrophobicContact CB-CB 3.74Å; P913-A945 WeakPolarHBondContact O-CB 2.79Å; W919-A945 HydrophobicContact CZ2-CB 4.37Å; R941-A945 WeakPolarHBondContact O-CB 3.42Å; R941-A945 PolarHBondContact O-N 2.92Å; C942-A945 PolarHBondContact O-N 3.46Å
946	E	79	Confident	82.8	Confident	53 Å²	53	63.7 Å²	63.7	25%	0.248	31%	0.307	C	S	.	.			trans	47.6	55.4	-173.1	-65.8	-172.4	-178	0	0	114.1	K657 C942 R948	K657-E946 IonicContact NZ-OE1 3.18Å; K657-E946 PolarHBondContact NZ-OE1 3.14Å; K657-E946 IonicContact NZ-OE2 2.68Å; K657-E946 PolarHBondContact NZ-OE2 2.93Å; C942-E946 PolarHBondContact O-N 3.15Å; C942-E946 VanDerWaalsContact O-N 3.15Å; E946-R948 WeakPolarHBondContact O-CG 3.26Å; E946-R948 IonicContact OE2-NH2 2.76Å; E946-R948 PolarHBondContact OE2-NH2 3.46Å
947	P	83.6	Confident	82.3	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.032	29%	0.29	C	S	.	.			trans	-59.1	143.3	-172.4	23.7	-34.1	0	0	0	113.9	D914 C942 W953	D914-P947 WeakPolarHBondContact O-CA 3.4Å; D914-P947 VanDerWaalsContact O-CB 3.3Å; D914-P947 WeakPolarHBondContact O-CB 3.12Å; D914-P947 WeakPolarHBondContact OD1-CA 3.37Å; C942-P947 VanDerWaalsContact O-CD 3.3Å; C942-P947 WeakPolarHBondContact O-CD 3.45Å; P947-W953 HydrophobicContact CG-CH2 4.11Å; P947-W953 HydrophobicContact CG-CZ2 3.81Å; P947-W953 PolarHBondContact O-NE1 3.38Å
948	R	76.5	Confident	81.8	Confident	156 Å²	156	60.5 Å²	60.5	59%	0.589	29%	0.293	S	S	*	.			trans	-126.9	-25.6	-174.8	-55.4	-174.3	-178.2	170	5.4	113.8	D914 E946	D914-R948 PolarHBondContact O-N 2.95Å; D914-R948 VanDerWaalsContact O-N 3.08Å; D914-R948 WeakPolarHBondContact OD1-CB 3.41Å; D914-R948 PolarHBondContact OD1-N 3.28Å; E946-R948 WeakPolarHBondContact O-CG 3.26Å; E946-R948 IonicContact OE2-NH2 2.76Å; E946-R948 PolarHBondContact OE2-NH2 3.46Å
949	H	80.7	Confident	81.3	Confident	117 Å²	117	64.4 Å²	64.4	54%	0.542	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-97.6	176	179.1	-63.3	102.9	0	0	0	110.7	D914 G916	D914-H949 PolarHBondContact O-N 2.87Å; D914-H949 VanDerWaalsContact O-N 3.08Å; D914-H949 IonicContact OD2-CE1 3.17Å; D914-H949 PolarHBondContact OD2-CE1 2.72Å; D914-H949 IonicContact OD2-CG 2.78Å; D914-H949 IonicContact OD2-ND1 2.68Å; D914-H949 PolarHBondContact OD2-ND1 3.33Å; G916-H949 PolarHBondContact N-O 3.48Å
950	G	80.3	Confident	80.5	Confident	12 Å²	12	59.6 Å²	59.6	12%	0.124	30%	0.295	C	S	.	.			trans	95.4	141.6	-165.3	0	0	0	0	0	111.8	D917 C954	D917-G950 VanDerWaalsContact CG-CA 3.46Å; D917-G950 WeakPolarHBondContact OD1-CA 3.48Å; D917-G950 WeakPolarHBondContact OD2-CA 3.49Å; G950-C954 WeakPolarHBondContact O-CB 3.43Å; G950-C954 PolarHBondContact O-N 2.87Å; G950-C954 PolarHBondContact O-SG 3.37Å
951	E	80.6	Confident	79.8	Confident	64 Å²	64	60.9 Å²	60.9	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-85	-41.5	-169.6	-165.7	-165.7	161.7	0	0	112.6	R792 R826 D917 C954 A955	R792-E951 IonicContact CZ-OE1 3.52Å; R792-E951 IonicContact NH1-OE1 3.36Å; R792-E951 IonicContact NH2-OE1 3.43Å; R792-E951 PolarHBondContact NH2-OE1 3.44Å; R826-E951 IonicContact CZ-OE2 3.96Å; R826-E951 IonicContact NH1-OE1 3.99Å; R826-E951 PolarHBondContact NH1-OE1 2.91Å; R826-E951 IonicContact NH1-OE2 3.76Å; R826-E951 PolarHBondContact NH1-OE2 2.97Å; R826-E951 IonicContact NH2-OE2 2.6Å; R826-E951 PolarHBondContact NH2-OE2 2.84Å; D917-E951 VanDerWaalsContact CG-N 3.3Å; D917-E951 PolarHBondContact OD1-N 2.97Å; D917-E951 PolarHBondContact OD2-N 3.45Å; E951-C954 PolarHBondContact O-N 3.16Å; E951-A955 WeakPolarHBondContact O-CB 3.16Å; E951-A955 PolarHBondContact O-N 2.8Å
952	L	82.3	Confident	79.3	Confident	78 Å²	78	57.1 Å²	57.1	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-70.2	-42.5	175.4	-57.8	174.9	0	0	0	109.7	D917 A955 E956 V974 I978	D917-L952 WeakPolarHBondContact OD1-CA 3.04Å; D917-L952 WeakPolarHBondContact OD1-CB 3.42Å; D917-L952 PolarHBondContact OD1-N 2.81Å; D917-L952 PolarHBondContact OD2-N 3.48Å; L952-A955 PolarHBondContact O-N 3.47Å; L952-E956 PolarHBondContact O-N 3.43Å; L952-E956 VanDerWaalsContact O-N 3.14Å; L952-V974 HydrophobicContact CB-CG1 3.92Å; L952-I978 HydrophobicContact CD1-CD1 4.36Å; L952-I978 HydrophobicContact CD1-CG1 4.08Å
953	W	85.4	Confident	78.5	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-46.7	171.4	-170.6	-97.2	0	0	0	111.7	D917 P947 A955 E956 S957 I970 L971 V974	D917-W953 PolarHBondContact OD1-N 3.41Å; P947-W953 HydrophobicContact CG-CH2 4.11Å; P947-W953 HydrophobicContact CG-CZ2 3.81Å; P947-W953 PolarHBondContact O-NE1 3.38Å; W953-A955 VanDerWaalsContact C-N 3.35Å; W953-A955 PolarHBondContact O-N 3.27Å; W953-E956 PolarHBondContact O-N 2.85Å; W953-S957 VanDerWaalsContact O-CB 3.28Å; W953-S957 WeakPolarHBondContact O-CB 3.41Å; W953-S957 PolarHBondContact O-N 3.34Å; W953-S957 PolarHBondContact O-OG 2.83Å; W953-I970 HydrophobicContact CD2-CG2 4.16Å; W953-I970 HydrophobicContact CE3-CG2 4.1Å; W953-I970 HydrophobicContact CH2-CB 4.09Å; W953-I970 HydrophobicContact CH2-CG2 3.83Å; W953-I970 HydrophobicContact CZ2-CB 4.34Å; W953-I970 HydrophobicContact CZ2-CG2 3.89Å; W953-I970 HydrophobicContact CZ3-CG2 3.95Å; W953-L971 HydrophobicContact CH2-CB 4.24Å; W953-L971 HydrophobicContact CZ3-CB 3.96Å; W953-L971 HydrophobicContact CZ3-CD1 3.91Å; W953-V974 HydrophobicContact CE3-CG2 4.15Å
954	C	83.7	Confident	77.8	Confident	25 Å²	25	61.7 Å²	61.7	17%	0.169	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-37.9	173	-91.3	0	0	0	0	113.5	G950 E951 S957 K958	G950-C954 WeakPolarHBondContact O-CB 3.43Å; G950-C954 PolarHBondContact O-N 2.87Å; G950-C954 PolarHBondContact O-SG 3.37Å; E951-C954 PolarHBondContact O-N 3.16Å; C954-S957 WeakPolarHBondContact CA-OG 3.46Å; C954-S957 PolarHBondContact O-OG 3.2Å; C954-K958 HydrophobicContact CB-CD 4.29Å; C954-K958 WeakPolarHBondContact O-CB 3.15Å; C954-K958 WeakPolarHBondContact O-CD 3.47Å; C954-K958 WeakPolarHBondContact O-CG 3.38Å; C954-K958 PolarHBondContact O-N 3.46Å; C954-K958 VanDerWaalsContact O-N 3.07Å; C954-K958 WeakPolarHBondContact SG-CE 3.3Å; C954-K958 PolarHBondContact SG-NZ 3.43Å
955	A	81.3	Confident	77.6	Confident	57 Å²	57	61.4 Å²	61.4	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-45.9	-179.6	0	0	0	0	0	111.1	E951 L952 W953 H959	E951-A955 WeakPolarHBondContact O-CB 3.16Å; E951-A955 PolarHBondContact O-N 2.8Å; L952-A955 PolarHBondContact O-N 3.47Å; W953-A955 VanDerWaalsContact C-N 3.35Å; W953-A955 PolarHBondContact O-N 3.27Å; A955-H959 PolarHBondContact O-N 2.99Å
956	E	79.9	Confident	77.7	Confident	25 Å²	25	65.3 Å²	65.3	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-75.1	-46.4	180	-67.3	-54.8	134.9	0	0	113.1	L952 W953 K958 H959 N962 V974 K977	L952-E956 PolarHBondContact O-N 3.43Å; L952-E956 VanDerWaalsContact O-N 3.14Å; W953-E956 PolarHBondContact O-N 2.85Å; E956-K958 VanDerWaalsContact C-N 3.26Å; E956-K958 PolarHBondContact O-N 3.1Å; E956-H959 VanDerWaalsContact O-CB 3.24Å; E956-H959 WeakPolarHBondContact O-CB 3.17Å; E956-H959 PolarHBondContact O-N 2.95Å; E956-N962 PolarHBondContact OE2-ND2 3.45Å; E956-V974 HydrophobicContact CB-CG2 3.74Å; E956-V974 HydrophobicContact CG-CG2 3.67Å; E956-K977 VanDerWaalsContact CD-CD 3.43Å; E956-K977 HydrophobicContact CG-CD 4.27Å; E956-K977 WeakPolarHBondContact OE1-CD 3.41Å; E956-K977 WeakPolarHBondContact OE1-CE 3.23Å; E956-K977 IonicContact OE1-NZ 2.82Å; E956-K977 PolarHBondContact OE1-NZ 2.94Å; E956-K977 IonicContact OE2-NZ 2.64Å; E956-K977 PolarHBondContact OE2-NZ 2.84Å
957	S	76.5	Confident	77.7	Confident	23 Å²	23	64.9 Å²	64.9	16%	0.161	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-27.9	178	58.2	0	0	0	0	113.5	W953 C954 W963	W953-S957 VanDerWaalsContact O-CB 3.28Å; W953-S957 WeakPolarHBondContact O-CB 3.41Å; W953-S957 PolarHBondContact O-N 3.34Å; W953-S957 PolarHBondContact O-OG 2.83Å; C954-S957 WeakPolarHBondContact CA-OG 3.46Å; C954-S957 PolarHBondContact O-OG 3.2Å; S957-W963 VanDerWaalsContact O-CE3 3.24Å
958	K	75.3	Confident	77.5	Confident	97 Å²	97	65 Å²	65	42%	0.422	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.4	173.9	-64.9	167.9	-163.4	168.6	0	112.9	C954 E956 V960	C954-K958 HydrophobicContact CB-CD 4.29Å; C954-K958 WeakPolarHBondContact O-CB 3.15Å; C954-K958 WeakPolarHBondContact O-CD 3.47Å; C954-K958 WeakPolarHBondContact O-CG 3.38Å; C954-K958 PolarHBondContact O-N 3.46Å; C954-K958 VanDerWaalsContact O-N 3.07Å; C954-K958 WeakPolarHBondContact SG-CE 3.3Å; C954-K958 PolarHBondContact SG-NZ 3.43Å; E956-K958 VanDerWaalsContact C-N 3.26Å; E956-K958 PolarHBondContact O-N 3.1Å; K958-V960 PolarHBondContact O-N 2.82Å
959	H	76.9	Confident	77.8	Confident	83 Å²	83	61.9 Å²	61.9	38%	0.384	31%	0.307	S	S	.	.	S	Bend	trans	-68.7	124.8	176.1	-166.3	-81.9	0	0	0	110	A955 E956 L961 N962 W963	A955-H959 PolarHBondContact O-N 2.99Å; E956-H959 VanDerWaalsContact O-CB 3.24Å; E956-H959 WeakPolarHBondContact O-CB 3.17Å; E956-H959 PolarHBondContact O-N 2.95Å; H959-L961 VanDerWaalsContact C-N 3.34Å; H959-L961 PolarHBondContact O-N 3.43Å; H959-N962 HydrophobicContact CB-CB 4.42Å; H959-N962 PolarHBondContact O-N 3.22Å; H959-W963 PolarHBondContact O-N 3.44Å; H959-W963 VanDerWaalsContact O-N 3.08Å
960	V	70.6	Confident	77.9	Confident	19 Å²	19	57 Å²	57	12%	0.115	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.2	-46.7	-168	-173.7	0	0	0	0	112.2	W727 V728 K958 N962 W963	W727-V960 HydrophobicContact CD2-CG2 3.74Å; W727-V960 VanDerWaalsContact CE2-CG2 3.47Å; W727-V960 HydrophobicContact CE3-CG2 3.94Å; W727-V960 HydrophobicContact CG-CG2 4.45Å; W727-V960 HydrophobicContact CH2-CG2 3.67Å; W727-V960 HydrophobicContact CZ2-CG2 3.47Å; W727-V960 VanDerWaalsContact CZ2-CG2 3.47Å; W727-V960 HydrophobicContact CZ3-CG2 3.91Å; V728-V960 HydrophobicContact CB-CG1 4.33Å; V728-V960 HydrophobicContact CG2-CG1 3.8Å; K958-V960 PolarHBondContact O-N 2.82Å; V960-N962 PolarHBondContact O-N 3.41Å; V960-W963 WeakPolarHBondContact O-CB 3.27Å; V960-W963 PolarHBondContact O-N 2.83Å
961	L	72.1	Confident	78.1	Confident	137 Å²	137	56.5 Å²	56.5	72%	0.717	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.2	178.8	-56.7	179.6	0	0	0	115.1	H959	H959-L961 VanDerWaalsContact C-N 3.34Å; H959-L961 PolarHBondContact O-N 3.43Å
962	N	74.1	Confident	78.3	Confident	16 Å²	16	55.5 Å²	55.5	9%	0.086	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-109.3	-7.8	-177.6	-66.3	-15	0	0	0	112.4	E956 H959 V960 Q964 R965	E956-N962 PolarHBondContact OE2-ND2 3.45Å; H959-N962 HydrophobicContact CB-CB 4.42Å; H959-N962 PolarHBondContact O-N 3.22Å; V960-N962 PolarHBondContact O-N 3.41Å; N962-Q964 VanDerWaalsContact C-N 3.27Å; N962-Q964 PolarHBondContact O-N 2.8Å; N962-R965 PolarHBondContact O-N 2.79Å; N962-R965 VanDerWaalsContact O-N 3.16Å; N962-R965 PolarHBondContact OD1-NE 3.44Å
963	W	67.9	Low	78.4	Confident	94 Å²	94	53.9 Å²	53.9	36%	0.356	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.8	-173.4	171	-90.9	0	0	0	114.2	S957 H959 V960	S957-W963 VanDerWaalsContact O-CE3 3.24Å; H959-W963 PolarHBondContact O-N 3.44Å; H959-W963 VanDerWaalsContact O-N 3.08Å; V960-W963 WeakPolarHBondContact O-CB 3.27Å; V960-W963 PolarHBondContact O-N 2.83Å
964	Q	69	Low	78.2	Confident	73 Å²	73	53.7 Å²	53.7	34%	0.341	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.8	-177.3	-65.8	178	-47	0	0	114.2	S694 Y699 N962	S694-Q964 PolarHBondContact O-NE2 3.26Å; Y699-Q964 PolarHBondContact OH-NE2 2.82Å; N962-Q964 VanDerWaalsContact C-N 3.27Å; N962-Q964 PolarHBondContact O-N 2.8Å
965	R	76.4	Confident	78.2	Confident	116 Å²	116	52.7 Å²	52.7	44%	0.438	27%	0.267	S	S	.	.	S	Bend	trans	-72.8	152.2	-176.2	-64.7	-173	-173	-135.9	3.3	111.5	N962 E969 I970	N962-R965 PolarHBondContact O-N 2.79Å; N962-R965 VanDerWaalsContact O-N 3.16Å; N962-R965 PolarHBondContact OD1-NE 3.44Å; R965-E969 HydrophobicContact CB-CB 4.22Å; R965-E969 WeakPolarHBondContact CB-OE2 3.41Å; R965-E969 WeakPolarHBondContact CG-OE2 3.17Å; R965-I970 HydrophobicContact CB-CG1 4.25Å
966	K	79.8	Confident	78.3	Confident	114 Å²	114	54.2 Å²	54.2	50%	0.496	27%	0.274	S	S	.	.			trans	-68.9	155.5	177.8	-60.3	-62.8	-174.7	178.8	0	110.8	G968 E969 I970	K966-G968 VanDerWaalsContact C-N 3.3Å; K966-G968 PolarHBondContact O-N 2.88Å; K966-E969 WeakPolarHBondContact O-CB 3.39Å; K966-E969 PolarHBondContact O-N 3.03Å; K966-I970 PolarHBondContact O-N 3.22Å; K966-I970 VanDerWaalsContact O-N 3.07Å
967	T	79.1	Confident	78.3	Confident	44 Å²	44	58.4 Å²	58.4	27%	0.27	29%	0.292	S	S	.	.	H	α-helix	trans	-55.8	-39.7	-177.1	42.2	0	0	0	0	113.4	E969 I970 L971	T967-E969 VanDerWaalsContact C-N 3.35Å; T967-E969 PolarHBondContact O-N 3.23Å; T967-I970 PolarHBondContact O-N 3.02Å; T967-L971 WeakPolarHBondContact O-CB 3.1Å; T967-L971 PolarHBondContact O-N 2.82Å
968	G	78.8	Confident	78.5	Confident	8 Å²	8	58.8 Å²	58.8	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-33.9	175.1	0	0	0	0	0	114.2	K966 A972	K966-G968 VanDerWaalsContact C-N 3.3Å; K966-G968 PolarHBondContact O-N 2.88Å; G968-A972 PolarHBondContact O-N 3.04Å
969	E	82.7	Confident	77.8	Confident	91 Å²	91	62 Å²	62	43%	0.425	31%	0.306	S	S	.	.	H	α-helix	trans	-73.3	-40.8	174.6	-67.3	173.1	-146.8	0	0	111.6	R965 K966 T967 L971 A972 L973	R965-E969 HydrophobicContact CB-CB 4.22Å; R965-E969 WeakPolarHBondContact CB-OE2 3.41Å; R965-E969 WeakPolarHBondContact CG-OE2 3.17Å; K966-E969 WeakPolarHBondContact O-CB 3.39Å; K966-E969 PolarHBondContact O-N 3.03Å; T967-E969 VanDerWaalsContact C-N 3.35Å; T967-E969 PolarHBondContact O-N 3.23Å; E969-L971 VanDerWaalsContact C-N 3.27Å; E969-L971 PolarHBondContact O-N 3.06Å; E969-A972 PolarHBondContact O-N 2.81Å; E969-L973 WeakPolarHBondContact O-CB 3.3Å; E969-L973 WeakPolarHBondContact O-CG 3.44Å; E969-L973 PolarHBondContact O-N 3.11Å
970	I	84.2	Confident	76.5	Confident	14 Å²	14	63 Å²	63	7%	0.072	31%	0.314	C	S	.	.	H	α-helix	trans	-59.2	-42.3	173.9	-63.5	171.9	0	0	0	109.7	W953 R965 K966 T967 A972 L973 V974	W953-I970 HydrophobicContact CD2-CG2 4.16Å; W953-I970 HydrophobicContact CE3-CG2 4.1Å; W953-I970 HydrophobicContact CH2-CB 4.09Å; W953-I970 HydrophobicContact CH2-CG2 3.83Å; W953-I970 HydrophobicContact CZ2-CB 4.34Å; W953-I970 HydrophobicContact CZ2-CG2 3.89Å; W953-I970 HydrophobicContact CZ3-CG2 3.95Å; R965-I970 HydrophobicContact CB-CG1 4.25Å; K966-I970 PolarHBondContact O-N 3.22Å; K966-I970 VanDerWaalsContact O-N 3.07Å; T967-I970 PolarHBondContact O-N 3.02Å; I970-A972 PolarHBondContact O-N 2.86Å; I970-L973 PolarHBondContact O-N 2.79Å; I970-V974 HydrophobicContact CG2-CG2 4.19Å; I970-V974 VanDerWaalsContact O-CG2 3.27Å; I970-V974 WeakPolarHBondContact O-CG2 3.4Å; I970-V974 PolarHBondContact O-N 3.31Å
971	L	84.4	Confident	75	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-47.6	175.6	-175.6	68.4	0	0	0	112.5	W919 A920 Y923 C942 W953 T967 E969 V974 A975	W919-L971 HydrophobicContact CB-CD1 3.81Å; A920-L971 HydrophobicContact CB-CD1 4.27Å; Y923-L971 HydrophobicContact CD1-CD2 4.25Å; Y923-L971 HydrophobicContact CD1-CG 4.02Å; Y923-L971 HydrophobicContact CD2-CD2 4.28Å; Y923-L971 HydrophobicContact CG-CD2 3.96Å; Y923-L971 HydrophobicContact CG-CG 4.11Å; C942-L971 HydrophobicContact CB-CD2 4Å; W953-L971 HydrophobicContact CH2-CB 4.24Å; W953-L971 HydrophobicContact CZ3-CB 3.96Å; W953-L971 HydrophobicContact CZ3-CD1 3.91Å; T967-L971 WeakPolarHBondContact O-CB 3.1Å; T967-L971 PolarHBondContact O-N 2.82Å; E969-L971 VanDerWaalsContact C-N 3.27Å; E969-L971 PolarHBondContact O-N 3.06Å; L971-V974 PolarHBondContact O-N 2.97Å; L971-A975 VanDerWaalsContact O-CB 3.25Å; L971-A975 WeakPolarHBondContact O-CB 3.42Å; L971-A975 PolarHBondContact O-N 2.91Å
972	A	84	Confident	73.5	Confident	44 Å²	44	64.1 Å²	64.1	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-40.3	176.6	0	0	0	0	0	112.4	G968 E969 I970 A975 S976	G968-A972 PolarHBondContact O-N 3.04Å; E969-A972 PolarHBondContact O-N 2.81Å; I970-A972 PolarHBondContact O-N 2.86Å; A972-A975 PolarHBondContact O-N 2.67Å; A972-S976 WeakPolarHBondContact O-CB 3.47Å; A972-S976 PolarHBondContact O-N 3Å; A972-S976 PolarHBondContact O-OG 2.83Å
973	L	84.3	Confident	73.5	Confident	43 Å²	43	66.6 Å²	66.6	23%	0.225	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-47.6	176.6	-72.3	171.5	0	0	0	112.1	E969 I970 A975 S976 K977	E969-L973 WeakPolarHBondContact O-CB 3.3Å; E969-L973 WeakPolarHBondContact O-CG 3.44Å; E969-L973 PolarHBondContact O-N 3.11Å; I970-L973 PolarHBondContact O-N 2.79Å; L973-A975 PolarHBondContact O-N 2.97Å; L973-S976 PolarHBondContact O-N 2.88Å; L973-S976 PolarHBondContact O-OG 3.05Å; L973-K977 PolarHBondContact O-N 3.1Å; L973-K977 VanDerWaalsContact O-N 3.13Å
974	V	82.6	Confident	73.8	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-44.2	176.7	-176.7	0	0	0	0	110.1	A920 L952 W953 E956 I970 L971 S976 K977 I978	A920-V974 HydrophobicContact CB-CB 3.85Å; A920-V974 HydrophobicContact CB-CG1 3.39Å; L952-V974 HydrophobicContact CB-CG1 3.92Å; W953-V974 HydrophobicContact CE3-CG2 4.15Å; E956-V974 HydrophobicContact CB-CG2 3.74Å; E956-V974 HydrophobicContact CG-CG2 3.67Å; I970-V974 HydrophobicContact CG2-CG2 4.19Å; I970-V974 VanDerWaalsContact O-CG2 3.27Å; I970-V974 WeakPolarHBondContact O-CG2 3.4Å; I970-V974 PolarHBondContact O-N 3.31Å; L971-V974 PolarHBondContact O-N 2.97Å; V974-S976 PolarHBondContact O-N 3.38Å; V974-K977 PolarHBondContact O-N 3.34Å; V974-I978 HydrophobicContact CG1-CD1 4.36Å; V974-I978 WeakPolarHBondContact O-CG1 3.37Å; V974-I978 PolarHBondContact O-N 3.39Å
975	A	83.7	Confident	74	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.033	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-43.5	177.6	0	0	0	0	0	112.7	Y923 K924 L971 A972 L973 K977	Y923-A975 HydrophobicContact CD1-CB 3.84Å; Y923-A975 HydrophobicContact CE1-CB 4.48Å; K924-A975 HydrophobicContact CB-CB 4.13Å; K924-A975 WeakPolarHBondContact CD-O 3.09Å; L971-A975 VanDerWaalsContact O-CB 3.25Å; L971-A975 WeakPolarHBondContact O-CB 3.42Å; L971-A975 PolarHBondContact O-N 2.91Å; A972-A975 PolarHBondContact O-N 2.67Å; L973-A975 PolarHBondContact O-N 2.97Å; A975-K977 PolarHBondContact O-N 2.89Å
976	S	83.1	Confident	73.9	Confident	89 Å²	89	61.6 Å²	61.6	62%	0.622	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-32.4	177.6	65.1	0	0	0	0	114	A972 L973 V974	A972-S976 WeakPolarHBondContact O-CB 3.47Å; A972-S976 PolarHBondContact O-N 3Å; A972-S976 PolarHBondContact O-OG 2.83Å; L973-S976 PolarHBondContact O-N 2.88Å; L973-S976 PolarHBondContact O-OG 3.05Å; V974-S976 PolarHBondContact O-N 3.38Å
977	K	80.2	Confident	73.5	Confident	113 Å²	113	58.4 Å²	58.4	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-78.9	-22.2	-179.2	-79.7	178.9	166	-177.5	0	114.4	E956 L973 V974 A975 K979	E956-K977 VanDerWaalsContact CD-CD 3.43Å; E956-K977 HydrophobicContact CG-CD 4.27Å; E956-K977 WeakPolarHBondContact OE1-CD 3.41Å; E956-K977 WeakPolarHBondContact OE1-CE 3.23Å; E956-K977 IonicContact OE1-NZ 2.82Å; E956-K977 PolarHBondContact OE1-NZ 2.94Å; E956-K977 IonicContact OE2-NZ 2.64Å; E956-K977 PolarHBondContact OE2-NZ 2.84Å; L973-K977 PolarHBondContact O-N 3.1Å; L973-K977 VanDerWaalsContact O-N 3.13Å; V974-K977 PolarHBondContact O-N 3.34Å; A975-K977 PolarHBondContact O-N 2.89Å; K977-K979 PolarHBondContact O-N 3.01Å; K977-K979 VanDerWaalsContact O-N 3.13Å
978	I	79.3	Confident	73.2	Confident	32 Å²	32	59.3 Å²	59.3	16%	0.164	32%	0.317	C	S	.	.	S	Bend	trans	-66.3	112.4	172.1	-62.6	160.1	0	0	0	107.8	A920 L921 K924 L952 V974	A920-I978 HydrophobicContact CB-CD1 4.19Å; L921-I978 HydrophobicContact CD2-CD1 3.93Å; L921-I978 HydrophobicContact CD2-CG2 4.16Å; L921-I978 HydrophobicContact CG-CD1 4.05Å; K924-I978 HydrophobicContact CD-CB 3.94Å; K924-I978 HydrophobicContact CD-CD1 4.49Å; K924-I978 HydrophobicContact CD-CG2 4.02Å; K924-I978 PolarHBondContact NZ-O 2.97Å; L952-I978 HydrophobicContact CD1-CD1 4.36Å; L952-I978 HydrophobicContact CD1-CG1 4.08Å; V974-I978 HydrophobicContact CG1-CD1 4.36Å; V974-I978 WeakPolarHBondContact O-CG1 3.37Å; V974-I978 PolarHBondContact O-N 3.39Å
979	K	60.8	Low	72.7	Confident	165 Å²	165	63 Å²	63	72%	0.717	33%	0.333	S	S	*	.			trans	-68.3	149.2	174.8	-66.3	-176.4	177.6	-179.6	0	111.3	K924 K977 T981	K924-K979 PolarHBondContact NZ-O 2.96Å; K977-K979 PolarHBondContact O-N 3.01Å; K977-K979 VanDerWaalsContact O-N 3.13Å; K979-T981 HydrophobicContact CB-CG2 4.08Å; K979-T981 PolarHBondContact O-N 2.9Å
980	N	49.7	Very low	72	Confident	102 Å²	102	60.8 Å²	60.8	55%	0.545	33%	0.326	S	S	.	.			trans	-76.1	42.4	172.7	-85.6	-5.2	0	0	0	112.6	K924 F982	K924-N980 WeakPolarHBondContact CE-OD1 3.17Å; K924-N980 PolarHBondContact NZ-OD1 3.3Å; N980-F982 PolarHBondContact O-N 3.07Å
981	T	38.5	Very low	71	Confident	109 Å²	109	64.8 Å²	64.8	67%	0.669	35%	0.348	S	S	*	.			trans	-95.8	89	179.8	49.5	0	0	0	0	110.1	K979	K979-T981 HydrophobicContact CB-CG2 4.08Å; K979-T981 PolarHBondContact O-N 2.9Å
982	F	41	Very low	69.7	Low	72 Å²	72	70.5 Å²	70.5	32%	0.316	38%	0.379	S	S	.	.			trans	-105.5	0	168.4	-72.4	-74.1	0	0	0	110.6	R864 W893 N980	R864-F982 PolarHBondContact NE-OXT 3.21Å; R864-F982 PolarHBondContact NH2-O 3.32Å; R864-F982 PolarHBondContact NH2-OXT 3.39Å; W893-F982 HydrophobicContact CD2-CE2 4.03Å; W893-F982 AromaticContact CD2-CZ 3.77Å; W893-F982 HydrophobicContact CD2-CZ 3.77Å; W893-F982 HydrophobicContact CE3-CE1 4.45Å; W893-F982 HydrophobicContact CE3-CE2 4.09Å; W893-F982 AromaticContact CE3-CZ 3.47Å; W893-F982 HydrophobicContact CE3-CZ 3.47Å; W893-F982 VanDerWaalsContact CE3-CZ 3.47Å; W893-F982 HydrophobicContact CG-CZ 4.4Å; W893-F982 HydrophobicContact CH2-CE2 4.27Å; W893-F982 HydrophobicContact CH2-CZ 4.27Å; W893-F982 HydrophobicContact CZ2-CE2 4.23Å; W893-F982 HydrophobicContact CZ3-CE2 4.21Å; W893-F982 AromaticContact CZ3-CZ 3.75Å; W893-F982 HydrophobicContact CZ3-CZ 3.75Å; N980-F982 PolarHBondContact O-N 3.07Å

Retrieved 982 of 982 residues in 3678 ms (Link to these results)

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