A0A087XG59_POEFO Loading...

[histone-H3]-N(6),N(6)-dimethyl-L-lysine(4) FAD-dependent demethylase

Histone demethylase that demethylates 'Lys-4' of histone H3, a specific tag for epigenetic transcriptional activation, thereby acting as a corepressor. Required for de novo DNA methylation of a subset of imprinted genes during oogenesis. Acts by oxidizing the substrate by FAD to generate the corresponding imine that is subsequently hydrolyzed. Demethylates both mono- and di-methylated 'Lys-4' of histone H3. Has no effect on tri-methylated 'Lys-4', mono-, di- or tri-methylated 'Lys-9', mono-, di- or tri-methylated 'Lys-27', mono-, di- or tri-methylated 'Lys-36' of histone H3, or on mono-, di- or tri-methylated 'Lys-20' of histone H4. Alone, it is unable to demethylate H3K4me on nucleosomes and requires the presence of GLYR1 to achieve such activity, they form a multifunctional enzyme complex that modifies transcribed chromatin and facilitates Pol II transcription through nucleosomes.

AlphaFold DB , UniProt , Accession A0A087XG59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 834 aa.

						>A0A087XG59_POEFO|A0A087XG59
MLSDADYSGNGSGARRARKRSSGESSGDGQTLRSSGRQSTTRVKRSNNPPPGQSKRKATETEEEDEQAEKKYRKCEKAGCSAIYPVCFASASDRCAKNGYTSRWYHLSCGEHFCNECFDHYYRSHKDGYETFASWRKVWTSNGKSEPSLKAFMADQQLPFWVQCTKPDCRKWRQLTKEIQLTASLAAAYRCGMKVNNVKIEGPDQCSQPEDLRVAEVSESWWHSMLILPPLLKESPAGAFLSAYYPDCVGMSPSGSPCNVSMTELRAEPCRAVQPQIPGLCPYFQPFYQPNECGKALCVRPDMMELDELYEFPEFSRDPTMYLALRNLILASWHKNCKEVLTAEKCAQHIIVRGLVRVCCVQELDRVLHFMTRKGLINTGVLAVKQPLLPERYRSKKVIVIGAGAAGLAAARQLQNFGTQVVLLEARDRIGGRVWDDGSLGVTVGRGAQIVNGCVNNPIALMCEQMGIRMHKLGERCDLFQEGGRATDPAIDKRMDFHFNAILDVVSDWRNDKSQSQDSPLGEKVQEIKKNFLQESGMQFSDLEEKVLQFHLSNLEFACGSTLDQVSARFWDHNEFFAQFSGDHTLLTKGYSVLLHKLAEGLDIRTNCPVQAIDYSADAVKVTSSNGSQWTAQKVLVTVPLTLLQKNAIRFNPPLPERKLKAIHSLGAGIIEKIALQFPNRFWDSKIQGADYFGHIPPCPEKRGMFSVFYDLDPQGKQAVLMSIMSGDAVSAVGDLEDSEVVDECLKVLRELFTDQEVPDPLNYFVTRWSKDVWAQMSYSFVKTGGSGEAYDILAEDVQGKVFFAGEATNRHFPQTVTGAYLSGVREASKMAAV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	21.5	Very low	24.6	Very low	239 Å²	239	143.2 Å²	143.2	100%	1.177	85%	0.85	S	S	*	*				0	128.9	0	-87	-173.6	-177.8	0	0	107.8
2	L	22.4	Very low	24.8	Very low	161 Å²	161	141.8 Å²	141.8	84%	0.843	85%	0.853	S	S	*	*			trans	72.8	88.5	166.5	-62.4	167.2	0	0	0	119
3	S	24.8	Very low	24.9	Very low	87 Å²	87	137.2 Å²	137.2	61%	0.608	85%	0.852	S	S	*	*				34.9	131.7	111.9	63.1	0	0	0	0	122.1
4	D	26.4	Very low	25	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	85%	0.854	S	S	*	*			trans	83.4	119.8	142.7	-56.5	-16.5	0	0	0	121.4
5	A	25.5	Very low	25	Very low	100 Å²	100	142.2 Å²	142.2	83%	0.826	86%	0.858	S	S	*	*				-158.6	119.5	117.6	0	0	0	0	0	110.8
6	D	26.3	Very low	25.1	Very low	143 Å²	143	149.4 Å²	149.4	77%	0.765	87%	0.865	S	S	*	*			trans	-56.1	144.3	174.4	-71.4	-53.4	0	0	0	114.3
7	Y	22.3	Very low	25.1	Very low	243 Å²	243	145.8 Å²	145.8	95%	0.953	86%	0.857	S	S	*	*			trans	-134.8	88.1	154.8	-112.7	-88.9	0	0	0	109
8	S	24.5	Very low	25.2	Very low	114 Å²	114	151 Å²	151	80%	0.797	86%	0.86	S	S	*	*			trans	-96.6	127.7	163.3	49.5	0	0	0	0	108.8
9	G	25.1	Very low	25.2	Very low	75 Å²	75	154.3 Å²	154.3	77%	0.773	86%	0.864	S	S	*	*			trans	-153.4	72.5	-176.8	0	0	0	0	0	112.1
10	N	26.9	Very low	25.2	Very low	181 Å²	181	158.7 Å²	158.7	97%	0.968	87%	0.866	S	S	*	*			trans	-93.7	121.9	161.8	-105.7	-11.9	0	0	0	108.9
11	G	25.2	Very low	25.3	Very low	81 Å²	81	156.5 Å²	156.5	84%	0.835	86%	0.862	S	S	*	*			trans	-133.2	96.5	-179.8	0	0	0	0	0	112
12	S	26.8	Very low	25.5	Very low	127 Å²	127	150.4 Å²	150.4	89%	0.888	84%	0.843	S	S	*	*			trans	-133.6	104.1	159.8	60.9	0	0	0	0	108.8
13	G	25.7	Very low	25.6	Very low	81 Å²	81	146.4 Å²	146.4	84%	0.835	84%	0.841	S	S	*	*			trans	-152.2	114.9	-177.7	0	0	0	0	0	111.7
14	A	27.2	Very low	25.6	Very low	106 Å²	106	151.2 Å²	151.2	88%	0.876	85%	0.854	S	S	*	*			trans	-70.5	158.4	-172.3	0	0	0	0	0	115.1
15	R	25.3	Very low	25.6	Very low	244 Å²	244	149 Å²	149	92%	0.921	85%	0.85	S	S	*	*			trans	-51.5	138.3	174	-65.8	169.6	174.1	172.7	-2.1	114
16	R	25.7	Very low	25.6	Very low	258 Å²	258	149.7 Å²	149.7	97%	0.974	85%	0.848	S	S	*	*			trans	-161.9	154.7	135.7	-112.4	172.9	-176.6	-174.3	1.6	112.6
17	A	25.8	Very low	25.7	Very low	88 Å²	88	146.5 Å²	146.5	73%	0.727	85%	0.85	S	S	*	*			trans	-105.2	158.3	-150.7	0	0	0	0	0	115.8
18	R	25.8	Very low	25.9	Very low	239 Å²	239	143.3 Å²	143.3	90%	0.902	85%	0.849	S	S	*	*			trans	49	124.7	142.9	-75.5	179.8	170.7	179.4	-2.6	120.1
19	K	25.1	Very low	26	Very low	214 Å²	214	141 Å²	141	93%	0.93	84%	0.844	S	S	*	*				-175	144.7	104.6	-105.9	175.5	176.9	179.2	0	112.7
20	R	26.6	Very low	26.2	Very low	241 Å²	241	146.2 Å²	146.2	91%	0.909	85%	0.848	S	S	*	*			trans	-101.4	158.7	168.1	-91	-178.1	170.4	-178.4	-2.8	109.4
21	S	25.9	Very low	26.2	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	83%	0.833	S	S	*	*			trans	121.4	142	157.7	74.3	0	0	0	0	111.4
22	S	26.2	Very low	26.2	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	83%	0.834	S	S	*	*			cis	169.5	148.5	-4.8	43.6	0	0	0	0	106.4
23	G	24.5	Very low	26.3	Very low	76 Å²	76	152.8 Å²	152.8	78%	0.784	84%	0.838	S	S	*	*			trans	75.6	156.1	160.8	0	0	0	0	0	116.6
24	E	25.7	Very low	26.4	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	84%	0.837	S	S	*	*			cis	-169.3	160.6	-1.4	-121.6	174.1	-179.3	0	0	108.2
25	S	24.8	Very low	26.5	Very low	103 Å²	103	155.3 Å²	155.3	72%	0.72	84%	0.836	S	S	*	*			trans	-25.5	159.9	169.6	59.9	0	0	0	0	119.4
26	S	27	Very low	26.6	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	83%	0.83	S	S	*	*				-174.7	141.7	58.4	43	0	0	0	0	111.6
27	G	26.9	Very low	26.6	Very low	77 Å²	77	145.8 Å²	145.8	79%	0.794	82%	0.824	S	S	*	*				97.4	142	105.4	0	0	0	0	0	111.7
28	D	28.1	Very low	26.6	Very low	176 Å²	176	148.4 Å²	148.4	94%	0.941	82%	0.821	S	S	*	*			cis	-171.2	160.2	5.1	-141.7	-14.9	0	0	0	108.3
29	G	26.7	Very low	26.5	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	81%	0.808	S	S	*	*			trans	156.3	84.8	165.6	0	0	0	0	0	119.3
30	Q	28.3	Very low	26.5	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	80%	0.801	S	S	*	*			trans	33.9	141.9	136.1	-65.2	-174.2	-4.1	0	0	120.9
31	T	26.8	Very low	26.5	Very low	109 Å²	109	131.5 Å²	131.5	67%	0.669	79%	0.793	S	S	*	*			cis	-170.5	153.3	10.8	12.3	0	0	0	0	111
32	L	26.3	Very low	26.5	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	80%	0.798	S	S	*	*			trans	69.8	104.6	146.8	-70.6	155.4	0	0	0	121.8
33	R	27.3	Very low	26.5	Very low	257 Å²	257	138.7 Å²	138.7	97%	0.97	80%	0.801	S	S	*	*			trans	-134.3	141.3	147.2	-88.9	-171.7	177.7	-175.4	0.2	110.6
34	S	28.4	Very low	26.6	Very low	118 Å²	118	144.1 Å²	144.1	83%	0.825	80%	0.803	S	S	*	*			trans	-83.7	155	-175.8	46.1	0	0	0	0	114.5
35	S	30.1	Very low	26.6	Very low	122 Å²	122	146.8 Å²	146.8	85%	0.853	81%	0.805	S	S	*	*			trans	-59.6	166.6	177.5	44.5	0	0	0	0	115.5
36	G	27.1	Very low	26.7	Very low	76 Å²	76	146.3 Å²	146.3	78%	0.784	80%	0.802	S	S	*	*			cis	-172.6	160.2	10.7	0	0	0	0	0	114.7
37	R	24.7	Very low	26.7	Very low	225 Å²	225	148.8 Å²	148.8	85%	0.849	81%	0.806	S	S	*	*			trans	-73.9	169	162.6	-94.4	175.1	166.3	-179.4	-0.9	109.4
38	Q	26.3	Very low	26.7	Very low	144 Å²	144	152.5 Å²	152.5	67%	0.673	81%	0.808	S	S	*	*			cis	-176.7	162.9	22.6	-128	161.9	-7.7	0	0	109.4
39	S	24.2	Very low	28	Very low	90 Å²	90	149.2 Å²	149.2	63%	0.629	80%	0.796	S	S	*	*			trans	15.9	146.8	144.2	68.2	0	0	0	0	121.1
40	T	25.7	Very low	28.3	Very low	125 Å²	125	151.8 Å²	151.8	77%	0.767	80%	0.801	S	S	*	*				180	147.3	68.3	18.1	0	0	0	0	113.8
41	T	25.1	Very low	28.8	Very low	124 Å²	124	149.1 Å²	149.1	76%	0.761	80%	0.799	S	S	*	*			trans	38.7	127.8	143.6	28.2	0	0	0	0	127.8
42	R	26.3	Very low	28.9	Very low	235 Å²	235	147.2 Å²	147.2	89%	0.887	80%	0.802	S	S	*	*				60.2	130.4	127.7	-108.9	-179.1	-177.5	-178.8	2.2	122.5
43	V	26	Very low	29	Very low	140 Å²	140	148.7 Å²	148.7	85%	0.848	80%	0.804	S	S	*	*				173.8	150.7	115.8	158.4	0	0	0	0	113
44	K	26.3	Very low	29.1	Very low	190 Å²	190	142.1 Å²	142.1	83%	0.826	80%	0.798	S	S	*	*			trans	-51.4	154.4	-176.7	-62.8	168.3	170.3	176.7	0	118.5
45	R	26	Very low	29.3	Very low	245 Å²	245	146.1 Å²	146.1	93%	0.925	80%	0.8	S	S	*	*				-175.3	142.8	117.2	-103.3	175.1	-179.4	-173.5	0.5	115.3
46	S	26.5	Very low	29.3	Very low	94 Å²	94	152.6 Å²	152.6	66%	0.657	81%	0.806	S	S	*	*			trans	-30.9	151.1	164.8	53	0	0	0	0	120.8
47	N	27.6	Very low	29.3	Very low	167 Å²	167	158.6 Å²	158.6	89%	0.893	81%	0.811	S	S	*	*				-164.8	146.6	126.8	-92.6	-13.6	0	0	0	111.6
48	N	27.5	Very low	29.6	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	80%	0.802	S	S	*	*			trans	-122.6	-176.9	-172.4	-132.3	14.7	0	0	0	108.7
49	P	55.6	Low	29.8	Very low	106 Å²	106	151.2 Å²	151.2	69%	0.688	81%	0.809	S	S	*	*				-107.8	-165.2	-99.7	33.3	-10.4	0	0	0	113.7
50	P	32.7	Very low	30.6	Very low	121 Å²	121	155.9 Å²	155.9	79%	0.786	82%	0.821	S	S	*	*				-154.4	-164.8	109.2	43.7	-23.6	0	0	0	114.3
51	P	39.3	Very low	31.2	Very low	126 Å²	126	155.8 Å²	155.8	82%	0.818	82%	0.82	S	S	*	*				-116.3	166.9	-94.6	33.9	-14	0	0	0	115
52	G	28.3	Very low	31.7	Very low	70 Å²	70	158.3 Å²	158.3	72%	0.722	82%	0.823	S	S	*	*			trans	-84.8	-176.9	-170	0	0	0	0	0	117.8
53	Q	28.8	Very low	32.1	Very low	193 Å²	193	154.8 Å²	154.8	90%	0.902	82%	0.817	S	S	*	*			trans	-168.5	131.8	135	-106.9	177.4	24	0	0	114.3
54	S	28.7	Very low	32.5	Very low	119 Å²	119	156.6 Å²	156.6	83%	0.832	82%	0.816	S	S	*	*			trans	87.2	125	143.1	83.7	0	0	0	0	121.3
55	K	31.6	Very low	32.9	Very low	201 Å²	201	154.3 Å²	154.3	87%	0.874	81%	0.813	S	S	*	*			trans	-74.5	142.9	177.7	-65	164.9	169.8	173.8	0	111.6
56	R	30	Very low	33.4	Very low	259 Å²	259	150.2 Å²	150.2	98%	0.977	80%	0.804	S	S	*	*			trans	-139.3	141.2	135.2	-82.3	-168.4	175.2	174	-1.6	109.9
57	K	28.9	Very low	33.9	Very low	202 Å²	202	152.5 Å²	152.5	88%	0.878	80%	0.804	S	S	*	*			trans	-108.6	139.8	-165.9	-161.4	-173.1	-174.8	-168.6	0	108.6
58	A	31.2	Very low	34.4	Very low	80 Å²	80	147.8 Å²	147.8	66%	0.661	79%	0.789	S	S	*	*			trans	66.3	118.6	155.2	0	0	0	0	0	119.7
59	T	29.5	Very low	35.2	Very low	134 Å²	134	148.7 Å²	148.7	82%	0.822	79%	0.788	S	S	*	*				-136.6	111.9	123.8	25.1	0	0	0	0	108.3	T61	T59-T61 PolarHBondContact O-N 2.73Å
60	E	40.5	Very low	34.9	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	79%	0.792	S	S	*	*			trans	-66.2	102.6	168.4	-67.3	164.9	154.7	0	0	108.3
61	T	38.5	Very low	36.1	Very low	122 Å²	122	153.3 Å²	153.3	75%	0.748	79%	0.785	S	S	*	*			trans	-161.9	7.5	163.4	13.1	0	0	0	0	115.1	T59	T59-T61 PolarHBondContact O-N 2.73Å
62	E	35.2	Very low	37.4	Very low	177 Å²	177	153.5 Å²	153.5	83%	0.827	77%	0.77	S	S	*	*	S	Bend	trans	-114.4	2	-176.9	-70.5	-176.2	167.9	0	0	114.4
63	E	34.3	Very low	40	Very low	162 Å²	162	155.4 Å²	155.4	76%	0.757	76%	0.755	S	S	*	*	S	Bend	trans	-92.5	-7.8	179.4	-72.3	-169.1	171.7	0	0	114.7
64	E	35.1	Very low	42.7	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	75%	0.749	S	S	*	*	S	Bend	trans	-86.5	-22.4	-179.5	-70.2	-168.2	157.4	0	0	113.9
65	D	35.3	Very low	45.8	Very low	143 Å²	143	149.9 Å²	149.9	77%	0.765	72%	0.716	S	S	*	*	S	Bend	trans	-87.8	-23.8	-178.4	-87.2	-24.8	0	0	0	114.2
66	E	35.8	Very low	48.7	Very low	159 Å²	159	143.4 Å²	143.4	74%	0.743	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-12.5	176.8	-77.5	-164.2	162.5	0	0	114.2
67	Q	36.6	Very low	51.7	Low	142 Å²	142	134.6 Å²	134.6	66%	0.664	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-12.2	-180	-73.8	174	16.1	0	0	113.7
68	A	39.1	Very low	54.8	Low	68 Å²	68	129.2 Å²	129.2	56%	0.562	65%	0.65	S	S	*	*	S	Bend	trans	-75.4	-28	176.8	0	0	0	0	0	113.3	K70	A68-K70 VanDerWaalsContact C-N 3.32Å; A68-K70 PolarHBondContact O-N 3.49Å
69	E	44.8	Very low	57.6	Low	174 Å²	174	128.8 Å²	128.8	81%	0.813	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-74.8	-14.1	-176.4	-75.9	-163.1	145	0	0	114.7	K71	E69-K71 PolarHBondContact O-N 3.05Å
70	K	48.6	Very low	60.6	Low	177 Å²	177	123.7 Å²	123.7	77%	0.77	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-87.6	6.6	-177.7	-78.6	178.8	-177.7	163.5	0	115.5	A68	A68-K70 VanDerWaalsContact C-N 3.32Å; A68-K70 PolarHBondContact O-N 3.49Å
71	K	57.8	Low	63.1	Low	146 Å²	146	117.1 Å²	117.1	64%	0.635	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-81.2	-20.2	-174.4	-91.1	179.8	177.4	171.1	0	115.6	E69	E69-K71 PolarHBondContact O-N 3.05Å
72	Y	67.2	Low	65.5	Low	131 Å²	131	112.3 Å²	112.3	51%	0.514	57%	0.571	S	S	.	*			trans	-133.6	123.8	-174.7	-61.9	-80.7	0	0	0	112	Y84	Y72-Y84 HydrophobicContact CD1-CD1 4.12Å; Y72-Y84 HydrophobicContact CD2-CE1 4.31Å; Y72-Y84 HydrophobicContact CE1-CD1 4.35Å; Y72-Y84 HydrophobicContact CE2-CE1 4.49Å; Y72-Y84 HydrophobicContact CG-CD1 4.3Å; Y72-Y84 HydrophobicContact CG-CE1 4.33Å
73	R	81.5	Confident	67.9	Low	109 Å²	109	109.5 Å²	109.5	41%	0.411	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-90.1	128.4	174.4	-166.5	174.5	-176.1	145	-7.9	109.5	Y100 T101 S102 W104	R73-Y100 HydrophobicContact CB-CD2 4.16Å; R73-Y100 HydrophobicContact CB-CE2 4.03Å; R73-Y100 PolarHBondContact NH1-OH 3.04Å; R73-T101 WeakPolarHBondContact CD-O 3.5Å; R73-S102 PolarHBondContact NE-O 3.32Å; R73-S102 PolarHBondContact NH1-O 2.86Å; R73-S102 PolarHBondContact NH2-O 2.85Å; R73-S102 VanDerWaalsContact NH2-O 3.08Å; R73-W104 PolarHBondContact O-NE1 3.22Å
74	K	86.6	Confident	70.6	Confident	177 Å²	177	109.4 Å²	109.4	77%	0.77	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-69	160.9	176.6	-65.6	-176.4	179.9	179.3	0	111.9
75	C	93	Very high	73.3	Confident	20 Å²	20	101.4 Å²	101.4	14%	0.135	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.3	173.7	-178.2	0	0	0	0	112.2	K77 C80 P85 H112	C75-K77 VanDerWaalsContact C-N 3.28Å; C75-K77 PolarHBondContact O-N 2.79Å; C75-K77 PolarHBondContact SG-N 2.89Å; C75-K77 VanDerWaalsContact SG-N 3.43Å; C75-C80 HydrophobicContact CB-CB 4.04Å; C75-P85 HydrophobicContact CB-CG 4.47Å; C75-H112 VanDerWaalsContact SG-CD2 3.51Å; C75-H112 PolarHBondContact SG-NE2 2.76Å
76	E	92.1	Very high	76.2	Confident	65 Å²	65	98.5 Å²	98.5	30%	0.304	51%	0.505	S	S	.	.	S	Bend	trans	-68	-24.7	176.1	70.1	-180	177.5	0	0	114.1	R103 W104 H106 K150	E76-R103 IonicContact OE2-CZ 3.07Å; E76-R103 IonicContact OE2-NE 2.68Å; E76-R103 PolarHBondContact OE2-NE 3.29Å; E76-R103 IonicContact OE2-NH2 2.66Å; E76-R103 PolarHBondContact OE2-NH2 3.25Å; E76-W104 VanDerWaalsContact CG-O 3.28Å; E76-W104 WeakPolarHBondContact CG-O 3.28Å; E76-H106 HydrophobicContact CG-CB 4.21Å; E76-H106 PolarHBondContact OE1-N 2.66Å; E76-K150 IonicContact OE1-NZ 3.44Å; E76-K150 PolarHBondContact OE1-NZ 3.19Å
77	K	94.1	Very high	79.1	Confident	74 Å²	74	91.1 Å²	91.1	32%	0.322	47%	0.471	S	S	.	.	S	Bend	trans	-85.2	121.1	-171.8	179.9	72.1	172.9	-168.7	0	109.5	C75 G79 C80 H106 M225 I227	C75-K77 VanDerWaalsContact C-N 3.28Å; C75-K77 PolarHBondContact O-N 2.79Å; C75-K77 PolarHBondContact SG-N 2.89Å; C75-K77 VanDerWaalsContact SG-N 3.43Å; K77-G79 PolarHBondContact O-N 3.22Å; K77-C80 HydrophobicContact CB-CB 4.25Å; K77-C80 VanDerWaalsContact O-CB 3.3Å; K77-C80 WeakPolarHBondContact O-CB 3.46Å; K77-C80 PolarHBondContact O-N 2.73Å; K77-H106 HydrophobicContact CB-CB 3.94Å; K77-M225 HydrophobicContact CG-CE 3.63Å; K77-I227 HydrophobicContact CD-CD1 4.19Å
78	A	93.2	Very high	82	Confident	88 Å²	88	85.6 Å²	85.6	73%	0.727	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	134.7	172.9	0	0	0	0	0	110.7	C80	A78-C80 VanDerWaalsContact C-N 3.31Å; A78-C80 PolarHBondContact O-N 2.99Å
79	G	90.9	Very high	84.6	Confident	72 Å²	72	82.3 Å²	82.3	74%	0.742	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	3.2	-178.9	0	0	0	0	0	115.3	K77 S81 M225	K77-G79 PolarHBondContact O-N 3.22Å; G79-S81 PolarHBondContact O-N 3.14Å; G79-M225 VanDerWaalsContact C-CE 3.48Å
80	C	93.1	Very high	87	Confident	26 Å²	26	77.4 Å²	77.4	18%	0.176	40%	0.403	C	S	.	.			trans	-66.9	128.8	175.3	-174.5	0	0	0	0	111.1	C75 K77 A78 A82 H106 M225	C75-C80 HydrophobicContact CB-CB 4.04Å; K77-C80 HydrophobicContact CB-CB 4.25Å; K77-C80 VanDerWaalsContact O-CB 3.3Å; K77-C80 WeakPolarHBondContact O-CB 3.46Å; K77-C80 PolarHBondContact O-N 2.73Å; A78-C80 VanDerWaalsContact C-N 3.31Å; A78-C80 PolarHBondContact O-N 2.99Å; C80-A82 VanDerWaalsContact C-N 3.26Å; C80-A82 PolarHBondContact O-N 3.32Å; C80-A82 PolarHBondContact SG-N 2.7Å; C80-H106 VanDerWaalsContact SG-CE1 3.58Å; C80-M225 HydrophobicContact CB-CE 4.12Å
81	S	91.3	Very high	89.1	Confident	51 Å²	51	69.9 Å²	69.9	36%	0.357	37%	0.373	S	S	.	.			trans	-72.9	-14.8	178	52.9	0	0	0	0	113.5	G79 I83 E216	G79-S81 PolarHBondContact O-N 3.14Å; S81-I83 PolarHBondContact O-N 3.24Å; S81-E216 PolarHBondContact OG-OE2 2.85Å
82	A	90.1	Very high	90.9	Very high	21 Å²	21	64 Å²	64	17%	0.174	35%	0.35	C	S	.	.			trans	-69.2	100.9	-175.8	0	0	0	0	0	112.3	C80 P85 H112	C80-A82 VanDerWaalsContact C-N 3.26Å; C80-A82 PolarHBondContact O-N 3.32Å; C80-A82 PolarHBondContact SG-N 2.7Å; A82-P85 HydrophobicContact CB-CG 4.46Å; A82-H112 VanDerWaalsContact CB-CE1 3.44Å; A82-H112 WeakPolarHBondContact CB-CE1 3.19Å
83	I	86.3	Confident	92.2	Very high	118 Å²	118	65.5 Å²	65.5	61%	0.605	37%	0.367	S	S	*	.	S	Bend	trans	-72.9	-38.1	175	-54	178.4	0	0	0	110.8	S81	S81-I83 PolarHBondContact O-N 3.24Å
84	Y	89.5	Confident	92.9	Very high	160 Å²	160	69.8 Å²	69.8	63%	0.627	38%	0.384	S	S	*	.	S	Bend	trans	-125.2	82.2	-178.5	-57.7	-76.5	0	0	0	110.9	Y72	Y72-Y84 HydrophobicContact CD1-CD1 4.12Å; Y72-Y84 HydrophobicContact CD2-CE1 4.31Å; Y72-Y84 HydrophobicContact CE1-CD1 4.35Å; Y72-Y84 HydrophobicContact CE2-CE1 4.49Å; Y72-Y84 HydrophobicContact CG-CD1 4.3Å; Y72-Y84 HydrophobicContact CG-CE1 4.33Å
85	P	93.3	Very high	93.4	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.058	35%	0.353	C	S	.	.			trans	-62.6	140.9	178.4	-20.4	32.4	0	0	0	111.8	C75 A82 W104 H112	C75-P85 HydrophobicContact CB-CG 4.47Å; A82-P85 HydrophobicContact CB-CG 4.46Å; P85-W104 HydrophobicContact CB-CD2 3.6Å; P85-W104 HydrophobicContact CB-CE3 3.96Å; P85-W104 HydrophobicContact CB-CG 3.86Å; P85-W104 HydrophobicContact CB-CZ2 4.23Å; P85-W104 HydrophobicContact CB-CZ3 4.41Å; P85-W104 HydrophobicContact CG-CD2 4.31Å; P85-W104 HydrophobicContact CG-CG 4.08Å; P85-W104 WeakPolarHBondContact O-CZ2 3.41Å; P85-H112 HydrophobicContact CB-CB 4.07Å
86	V	95	Very high	93.5	Very high	81 Å²	81	62.1 Å²	62.1	49%	0.491	35%	0.353	S	S	.	.			trans	-124.4	137.2	175.9	-178.4	0	0	0	0	109.2	F88 K97 N98	V86-F88 PolarHBondContact O-N 3.17Å; V86-K97 WeakPolarHBondContact CA-O 3.38Å; V86-N98 HydrophobicContact CG2-CB 4.01Å
87	C	97.1	Very high	93.6	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.027	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-75.9	110.3	179.2	-171.5	0	0	0	0	111.2	A89 S90 K97 W104 H112 C114 C117	C87-A89 VanDerWaalsContact C-N 3.31Å; C87-A89 PolarHBondContact O-N 3.17Å; C87-S90 PolarHBondContact O-OG 2.79Å; C87-K97 PolarHBondContact N-O 3.43Å; C87-W104 HydrophobicContact CB-CH2 4.08Å; C87-W104 HydrophobicContact CB-CZ3 3.81Å; C87-H112 WeakPolarHBondContact CA-O 3.21Å; C87-C114 HydrophobicContact CB-CB 4.18Å; C87-C114 PolarHBondContact SG-N 3.03Å; C87-C114 VanDerWaalsContact SG-N 3.37Å; C87-C117 VanDerWaalsContact SG-SG 3.67Å
88	F	96.6	Very high	93.5	Very high	26 Å²	26	67.2 Å²	67.2	11%	0.114	38%	0.379	C	S	.	.	S	Bend	trans	-71	-27.3	174.7	66.9	-102.5	0	0	0	112.8	V86 L107 E111 H112 F113 M153 Q157 L158	V86-F88 PolarHBondContact O-N 3.17Å; F88-L107 HydrophobicContact CE1-CD1 4.5Å; F88-L107 HydrophobicContact CE1-CD2 4.37Å; F88-L107 HydrophobicContact CZ-CD2 4.15Å; F88-E111 HydrophobicContact CD1-CB 4.26Å; F88-E111 HydrophobicContact CE1-CB 4.45Å; F88-H112 WeakPolarHBondContact CD1-O 3.35Å; F88-H112 WeakPolarHBondContact CE1-O 3.26Å; F88-H112 PolarHBondContact N-O 2.72Å; F88-H112 VanDerWaalsContact N-O 3.1Å; F88-F113 HydrophobicContact CD1-CB 4.5Å; F88-F113 HydrophobicContact CE1-CB 3.99Å; F88-F113 HydrophobicContact CE1-CD1 4.08Å; F88-F113 HydrophobicContact CE1-CG 4.48Å; F88-F113 HydrophobicContact CZ-CB 4.1Å; F88-F113 HydrophobicContact CZ-CD1 4.06Å; F88-F113 HydrophobicContact CZ-CG 4.38Å; F88-M153 HydrophobicContact CE2-SD 4.44Å; F88-M153 HydrophobicContact CZ-CB 4.09Å; F88-Q157 HydrophobicContact CE2-CB 4.35Å; F88-L158 HydrophobicContact CD1-CD2 3.57Å; F88-L158 HydrophobicContact CD2-CD2 3.64Å; F88-L158 HydrophobicContact CD2-CG 4.3Å; F88-L158 HydrophobicContact CE1-CD2 3.55Å; F88-L158 HydrophobicContact CE1-CG 4.28Å; F88-L158 HydrophobicContact CE2-CB 4.47Å; F88-L158 HydrophobicContact CE2-CD2 3.61Å; F88-L158 HydrophobicContact CE2-CG 3.86Å; F88-L158 HydrophobicContact CG-CD2 3.64Å; F88-L158 HydrophobicContact CZ-CD2 3.57Å; F88-L158 HydrophobicContact CZ-CG 3.85Å
89	A	95	Very high	93.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.357	C	S	.	.			trans	-71.5	-43.4	-168.3	0	0	0	0	0	112.2	C87 A91 F113 C117 M153 K177	C87-A89 VanDerWaalsContact C-N 3.31Å; C87-A89 PolarHBondContact O-N 3.17Å; A89-A91 PolarHBondContact O-N 2.67Å; A89-F113 HydrophobicContact CB-CB 4.21Å; A89-C117 HydrophobicContact CB-CB 4.07Å; A89-M153 HydrophobicContact CB-SD 4.3Å; A89-K177 WeakPolarHBondContact O-CE 3.41Å; A89-K177 PolarHBondContact O-NZ 3.15Å
90	S	94.1	Very high	93.5	Very high	71 Å²	71	67.2 Å²	67.2	50%	0.497	35%	0.347	S	S	.	.			trans	41.1	38.3	-178	-62.3	0	0	0	0	114	C87	C87-S90 PolarHBondContact O-OG 2.79Å
91	A	93.9	Very high	93.6	Very high	19 Å²	19	66 Å²	66	16%	0.157	34%	0.339	C	S	.	.			trans	-93.2	-29.1	-172.3	0	0	0	0	0	113.1	A89 H120 Y121	A89-A91 PolarHBondContact O-N 2.67Å; A91-H120 PolarHBondContact O-CE1 2.58Å; A91-Y121 HydrophobicContact CB-CE2 3.57Å; A91-Y121 VanDerWaalsContact CB-OH 3.24Å; A91-Y121 WeakPolarHBondContact CB-OH 3.33Å
92	S	95.8	Very high	93.8	Very high	21 Å²	21	65.9 Å²	65.9	15%	0.147	34%	0.338	C	S	.	.	S	Bend	trans	-86.5	138.8	175.7	-176	0	0	0	0	110	R94 C95 E116	S92-R94 PolarHBondContact O-N 3Å; S92-R94 VanDerWaalsContact O-N 3.08Å; S92-R94 PolarHBondContact OG-N 2.75Å; S92-C95 WeakPolarHBondContact O-CB 3.22Å; S92-C95 PolarHBondContact O-N 3.45Å; S92-E116 WeakPolarHBondContact CB-O 3.34Å; S92-E116 PolarHBondContact OG-O 2.91Å
93	D	94.6	Very high	94	Very high	164 Å²	164	70.5 Å²	70.5	88%	0.877	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.7	169.4	-62.9	-28.7	0	0	0	112.3
94	R	95.8	Very high	94.5	Very high	199 Å²	199	65.1 Å²	65.1	75%	0.751	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	24.2	175.4	-58.1	-172.8	-176.5	-168.3	-0.3	112.8	S92 A96 E116	S92-R94 PolarHBondContact O-N 3Å; S92-R94 VanDerWaalsContact O-N 3.08Å; S92-R94 PolarHBondContact OG-N 2.75Å; R94-A96 PolarHBondContact O-N 3.06Å; R94-E116 HydrophobicContact CB-CB 4.41Å; R94-E116 HydrophobicContact CB-CG 4.43Å; R94-E116 VanDerWaalsContact O-CB 3.25Å; R94-E116 WeakPolarHBondContact O-CB 3.38Å; R94-E116 VanDerWaalsContact O-CG 3.29Å; R94-E116 WeakPolarHBondContact O-CG 3.43Å
95	C	96.8	Very high	94.9	Very high	18 Å²	18	58.6 Å²	58.6	12%	0.122	30%	0.298	C	S	.	.			trans	-55.6	130	178.2	-176.5	0	0	0	0	111	S92 K97 C117	S92-C95 WeakPolarHBondContact O-CB 3.22Å; S92-C95 PolarHBondContact O-N 3.45Å; C95-K97 PolarHBondContact O-N 3.17Å; C95-K97 PolarHBondContact SG-N 2.77Å; C95-K97 VanDerWaalsContact SG-N 3.35Å; C95-C117 VanDerWaalsContact SG-SG 3.65Å
96	A	94.8	Very high	95.1	Very high	17 Å²	17	58.1 Å²	58.1	14%	0.14	30%	0.295	C	S	.	.			trans	-66	-16	176.8	0	0	0	0	0	113.5	R94 N98 G99 Y100 C114	R94-A96 PolarHBondContact O-N 3.06Å; A96-N98 PolarHBondContact O-N 3.42Å; A96-G99 WeakPolarHBondContact O-CA 3.48Å; A96-G99 PolarHBondContact O-N 3Å; A96-Y100 WeakPolarHBondContact CB-O 3.34Å; A96-C114 HydrophobicContact CB-CB 3.71Å; A96-C114 PolarHBondContact N-SG 3.31Å; A96-C114 VanDerWaalsContact N-SG 3.42Å
97	K	94.3	Very high	95.2	Very high	139 Å²	139	54.8 Å²	54.8	60%	0.604	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	-101.8	-176	-59.6	179	-177.5	178.7	0	111.7	V86 C87 C95 W104	V86-K97 WeakPolarHBondContact CA-O 3.38Å; C87-K97 PolarHBondContact N-O 3.43Å; C95-K97 PolarHBondContact O-N 3.17Å; C95-K97 PolarHBondContact SG-N 2.77Å; C95-K97 VanDerWaalsContact SG-N 3.35Å; K97-W104 WeakPolarHBondContact O-CH2 3.22Å
98	N	92.6	Very high	95.2	Very high	107 Å²	107	54.6 Å²	54.6	57%	0.572	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	9.4	174.9	65.8	-19.1	0	0	0	112.8	V86 A96	V86-N98 HydrophobicContact CG2-CB 4.01Å; A96-N98 PolarHBondContact O-N 3.42Å
99	G	91.3	Very high	95.1	Very high	26 Å²	26	53.6 Å²	53.6	27%	0.268	27%	0.269	S	S	.	.	S	Bend	trans	-92.6	-161.8	-179.8	0	0	0	0	0	113.3	A96 W104	A96-G99 WeakPolarHBondContact O-CA 3.48Å; A96-G99 PolarHBondContact O-N 3Å; G99-W104 WeakPolarHBondContact O-CZ2 3.12Å
100	Y	92.9	Very high	95.1	Very high	135 Å²	135	54.1 Å²	54.1	53%	0.529	27%	0.274	S	S	.	.			trans	-73.7	140.5	-179.6	-179.7	-92.2	0	0	0	112.2	R73 A96	R73-Y100 HydrophobicContact CB-CD2 4.16Å; R73-Y100 HydrophobicContact CB-CE2 4.03Å; R73-Y100 PolarHBondContact NH1-OH 3.04Å; A96-Y100 WeakPolarHBondContact CB-O 3.34Å
101	T	95.2	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.			trans	-140.6	156.6	168.5	-176.1	0	0	0	0	109.2	R73 R103 W104 C114 N115 E116	R73-T101 WeakPolarHBondContact CD-O 3.5Å; T101-R103 WeakPolarHBondContact CG2-O 3.38Å; T101-R103 PolarHBondContact O-N 3.46Å; T101-W104 HydrophobicContact CG2-CD2 3.59Å; T101-W104 VanDerWaalsContact CG2-CE2 3.42Å; T101-W104 HydrophobicContact CG2-CE3 4.18Å; T101-W104 HydrophobicContact CG2-CG 3.87Å; T101-W104 HydrophobicContact CG2-CH2 4.43Å; T101-W104 HydrophobicContact CG2-CZ2 3.88Å; T101-C114 HydrophobicContact CG2-CB 3.91Å; T101-N115 WeakPolarHBondContact OG1-CB 3.39Å; T101-N115 PolarHBondContact OG1-N 3.03Å; T101-E116 WeakPolarHBondContact CB-OE2 3.28Å; T101-E116 VanDerWaalsContact OG1-CD 3.31Å; T101-E116 PolarHBondContact OG1-OE1 3.02Å; T101-E116 VanDerWaalsContact OG1-OE1 3.13Å; T101-E116 PolarHBondContact OG1-OE2 3.12Å
102	S	93.9	Very high	95.5	Very high	49 Å²	49	50.3 Å²	50.3	34%	0.343	25%	0.245	S	C	.	.	S	Bend	trans	-66.8	-20.3	177.5	66.2	0	0	0	0	113.2	R73 N115	R73-S102 PolarHBondContact NE-O 3.32Å; R73-S102 PolarHBondContact NH1-O 2.86Å; R73-S102 PolarHBondContact NH2-O 2.85Å; R73-S102 VanDerWaalsContact NH2-O 3.08Å; S102-N115 WeakPolarHBondContact OG-CB 3.49Å; S102-N115 PolarHBondContact OG-ND2 3.43Å
103	R	95.4	Very high	95.6	Very high	117 Å²	117	49.3 Å²	49.3	44%	0.442	24%	0.238	S	C	.	.			trans	-162.3	134.1	175.2	-170.9	170.7	179.1	170.5	0.1	110.8	E76 T101 Y105 N115	E76-R103 IonicContact OE2-CZ 3.07Å; E76-R103 IonicContact OE2-NE 2.68Å; E76-R103 PolarHBondContact OE2-NE 3.29Å; E76-R103 IonicContact OE2-NH2 2.66Å; E76-R103 PolarHBondContact OE2-NH2 3.25Å; T101-R103 WeakPolarHBondContact CG2-O 3.38Å; T101-R103 PolarHBondContact O-N 3.46Å; R103-Y105 HydrophobicContact CB-CE2 3.99Å; R103-Y105 HydrophobicContact CG-CD2 4.36Å; R103-Y105 HydrophobicContact CG-CE2 4.04Å; R103-N115 HydrophobicContact CB-CB 4.3Å; R103-N115 PolarHBondContact O-N 2.89Å; R103-N115 VanDerWaalsContact O-N 3.08Å
104	W	97.1	Very high	95.7	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.4	167.4	-76.1	114	0	0	0	109.7	R73 E76 P85 C87 K97 G99 T101 H112 C114	R73-W104 PolarHBondContact O-NE1 3.22Å; E76-W104 VanDerWaalsContact CG-O 3.28Å; E76-W104 WeakPolarHBondContact CG-O 3.28Å; P85-W104 HydrophobicContact CB-CD2 3.6Å; P85-W104 HydrophobicContact CB-CE3 3.96Å; P85-W104 HydrophobicContact CB-CG 3.86Å; P85-W104 HydrophobicContact CB-CZ2 4.23Å; P85-W104 HydrophobicContact CB-CZ3 4.41Å; P85-W104 HydrophobicContact CG-CD2 4.31Å; P85-W104 HydrophobicContact CG-CG 4.08Å; P85-W104 WeakPolarHBondContact O-CZ2 3.41Å; C87-W104 HydrophobicContact CB-CH2 4.08Å; C87-W104 HydrophobicContact CB-CZ3 3.81Å; K97-W104 WeakPolarHBondContact O-CH2 3.22Å; G99-W104 WeakPolarHBondContact O-CZ2 3.12Å; T101-W104 HydrophobicContact CG2-CD2 3.59Å; T101-W104 VanDerWaalsContact CG2-CE2 3.42Å; T101-W104 HydrophobicContact CG2-CE3 4.18Å; T101-W104 HydrophobicContact CG2-CG 3.87Å; T101-W104 HydrophobicContact CG2-CH2 4.43Å; T101-W104 HydrophobicContact CG2-CZ2 3.88Å; W104-H112 HydrophobicContact CE3-CB 3.92Å; W104-H112 HydrophobicContact CZ3-CB 4.42Å; W104-C114 HydrophobicContact CE3-CB 4.2Å; W104-C114 HydrophobicContact CH2-CB 4.02Å; W104-C114 HydrophobicContact CZ3-CB 3.73Å
105	Y	97.8	Very high	95.8	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.09	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.1	175.9	-68.7	-95.3	0	0	0	109.4	R103 H112 F113 N115 F118	R103-Y105 HydrophobicContact CB-CE2 3.99Å; R103-Y105 HydrophobicContact CG-CD2 4.36Å; R103-Y105 HydrophobicContact CG-CE2 4.04Å; Y105-H112 VanDerWaalsContact O-CA 3.31Å; Y105-H112 WeakPolarHBondContact O-CA 3.47Å; Y105-F113 HydrophobicContact CD1-CZ 4.15Å; Y105-F113 HydrophobicContact CD2-CD2 4.41Å; Y105-F113 HydrophobicContact CD2-CE2 4.09Å; Y105-F113 HydrophobicContact CD2-CZ 4.39Å; Y105-F113 HydrophobicContact CG-CD2 4.46Å; Y105-F113 HydrophobicContact CG-CE1 4.16Å; Y105-F113 AromaticContact CG-CE2 3.89Å; Y105-F113 HydrophobicContact CG-CE2 3.89Å; Y105-F113 AromaticContact CG-CZ 3.72Å; Y105-F113 HydrophobicContact CG-CZ 3.72Å; Y105-F113 PolarHBondContact N-O 3.08Å; Y105-F113 PolarHBondContact O-N 3.15Å; Y105-N115 HydrophobicContact CE2-CB 4.14Å; Y105-N115 PolarHBondContact OH-OD1 3.01Å; Y105-F118 AromaticContact CD1-CD2 3.71Å; Y105-F118 HydrophobicContact CD1-CD2 3.71Å; Y105-F118 HydrophobicContact CD1-CE2 4.06Å; Y105-F118 HydrophobicContact CD2-CB 3.94Å; Y105-F118 HydrophobicContact CD2-CD2 4.02Å; Y105-F118 HydrophobicContact CD2-CG 4.23Å; Y105-F118 AromaticContact CE1-CD2 3.26Å; Y105-F118 HydrophobicContact CE1-CD2 3.26Å; Y105-F118 AromaticContact CE1-CE2 3.39Å; Y105-F118 HydrophobicContact CE1-CE2 3.39Å; Y105-F118 HydrophobicContact CE1-CG 4.02Å; Y105-F118 HydrophobicContact CE1-CZ 4.19Å; Y105-F118 HydrophobicContact CE2-CB 3.57Å; Y105-F118 HydrophobicContact CE2-CD1 4.37Å; Y105-F118 AromaticContact CE2-CD2 3.66Å; Y105-F118 HydrophobicContact CE2-CD2 3.66Å; Y105-F118 AromaticContact CE2-CG 3.62Å; Y105-F118 HydrophobicContact CE2-CG 3.62Å; Y105-F118 HydrophobicContact CG-CD2 4.05Å; Y105-F118 AromaticContact CZ-CD1 3.99Å; Y105-F118 AromaticContact CZ-CD2 3.23Å; Y105-F118 AromaticContact CZ-CE2 3.66Å; Y105-F118 AromaticContact CZ-CG 3.46Å; Y105-F118 VanDerWaalsContact CZ-CG 3.46Å
106	H	97.9	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.5	-176.1	-177	83.6	0	0	0	111.8	E76 K77 C80 S108 C109 H112 K150 M225 I227	E76-H106 HydrophobicContact CG-CB 4.21Å; E76-H106 PolarHBondContact OE1-N 2.66Å; K77-H106 HydrophobicContact CB-CB 3.94Å; C80-H106 VanDerWaalsContact SG-CE1 3.58Å; H106-S108 PolarHBondContact CE1-O 3.35Å; H106-S108 PolarHBondContact ND1-O 2.88Å; H106-C109 PolarHBondContact CE1-N 2.95Å; H106-H112 AromaticContact CE1-NE2 3.96Å; H106-H112 AromaticContact CG-NE2 3.97Å; H106-H112 AromaticContact ND1-CD2 3.72Å; H106-H112 AromaticContact ND1-CE1 3.81Å; H106-H112 AromaticContact ND1-NE2 3.01Å; H106-H112 PolarHBondContact ND1-NE2 3.38Å; H106-K150 WeakPolarHBondContact O-CE 3.46Å; H106-K150 PolarHBondContact O-NZ 2.68Å; H106-M225 PolarHBondContact NE2-O 2.57Å; H106-M225 VanDerWaalsContact NE2-O 3.14Å; H106-I227 WeakPolarHBondContact O-CG1 3.23Å
107	L	97.4	Very high	96	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.052	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-47.2	166.2	-91.5	71.6	0	0	0	111.5	F88 E111 F113 K150 M153 A154 L158 I227	F88-L107 HydrophobicContact CE1-CD1 4.5Å; F88-L107 HydrophobicContact CE1-CD2 4.37Å; F88-L107 HydrophobicContact CZ-CD2 4.15Å; L107-E111 HydrophobicContact CB-CB 4.41Å; L107-E111 PolarHBondContact N-O 3.16Å; L107-F113 HydrophobicContact CD1-CD1 3.6Å; L107-F113 HydrophobicContact CD1-CE1 3.33Å; L107-K150 HydrophobicContact CD1-CB 4.46Å; L107-K150 HydrophobicContact CD1-CG 4.36Å; L107-M153 HydrophobicContact CD2-CB 4.28Å; L107-A154 HydrophobicContact CD2-CB 3.84Å; L107-L158 HydrophobicContact CD2-CD1 3.61Å; L107-L158 HydrophobicContact CD2-CG 3.99Å; L107-I227 PolarHBondContact O-N 3.21Å
108	S	96.8	Very high	96.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	171.3	173.9	75.3	0	0	0	0	109.1	H106 G110 E111 H112	H106-S108 PolarHBondContact CE1-O 3.35Å; H106-S108 PolarHBondContact ND1-O 2.88Å; S108-G110 PolarHBondContact O-N 2.83Å; S108-G110 VanDerWaalsContact O-N 3.16Å; S108-G110 PolarHBondContact OG-N 2.93Å; S108-E111 PolarHBondContact N-O 3.01Å; S108-E111 PolarHBondContact O-N 3.29Å; S108-E111 VanDerWaalsContact O-N 3.08Å; S108-E111 WeakPolarHBondContact OG-CB 3.37Å; S108-E111 PolarHBondContact OG-N 3.14Å; S108-E111 PolarHBondContact OG-OE2 2.9Å; S108-H112 PolarHBondContact O-CE1 2.72Å
109	C	94.3	Very high	96.4	Very high	5 Å²	5	25 Å²	25	3%	0.034	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	178.6	-74.3	0	0	0	0	113.7	H106 H112 W221	H106-C109 PolarHBondContact CE1-N 2.95Å; C109-H112 PolarHBondContact O-CE1 3.4Å; C109-W221 HydrophobicContact CB-CH2 4.37Å; C109-W221 HydrophobicContact CB-CZ3 4.12Å; C109-W221 VanDerWaalsContact SG-CZ3 3.57Å
110	G	94.9	Very high	96.8	Very high	10 Å²	10	25 Å²	25	10%	0.103	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-5.2	176.2	0	0	0	0	0	115.2	S108 R213	S108-G110 PolarHBondContact O-N 2.83Å; S108-G110 VanDerWaalsContact O-N 3.16Å; S108-G110 PolarHBondContact OG-N 2.93Å; G110-R213 WeakPolarHBondContact O-CD 3.24Å; G110-R213 PolarHBondContact O-NH1 3.18Å; G110-R213 VanDerWaalsContact O-NH1 3.14Å
111	E	97.8	Very high	97	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.033	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	112.9	-163	-64.7	166.5	137.8	0	0	112.8	F88 L107 S108 L158 G354 L355	F88-E111 HydrophobicContact CD1-CB 4.26Å; F88-E111 HydrophobicContact CE1-CB 4.45Å; L107-E111 HydrophobicContact CB-CB 4.41Å; L107-E111 PolarHBondContact N-O 3.16Å; S108-E111 PolarHBondContact N-O 3.01Å; S108-E111 PolarHBondContact O-N 3.29Å; S108-E111 VanDerWaalsContact O-N 3.08Å; S108-E111 WeakPolarHBondContact OG-CB 3.37Å; S108-E111 PolarHBondContact OG-N 3.14Å; S108-E111 PolarHBondContact OG-OE2 2.9Å; E111-L158 HydrophobicContact CB-CD2 4.09Å; E111-L158 HydrophobicContact CG-CD2 4.04Å; E111-G354 WeakPolarHBondContact OE1-CA 3.33Å; E111-L355 HydrophobicContact CG-CD1 4.08Å; E111-L355 HydrophobicContact CG-CG 4.47Å; E111-L355 PolarHBondContact OE1-N 3.48Å
112	H	98	Very high	97	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155	-178.1	-58.2	80.5	0	0	0	110.8	C75 A82 P85 C87 F88 W104 Y105 H106 S108 C109	C75-H112 VanDerWaalsContact SG-CD2 3.51Å; C75-H112 PolarHBondContact SG-NE2 2.76Å; A82-H112 VanDerWaalsContact CB-CE1 3.44Å; A82-H112 WeakPolarHBondContact CB-CE1 3.19Å; P85-H112 HydrophobicContact CB-CB 4.07Å; C87-H112 WeakPolarHBondContact CA-O 3.21Å; F88-H112 WeakPolarHBondContact CD1-O 3.35Å; F88-H112 WeakPolarHBondContact CE1-O 3.26Å; F88-H112 PolarHBondContact N-O 2.72Å; F88-H112 VanDerWaalsContact N-O 3.1Å; W104-H112 HydrophobicContact CE3-CB 3.92Å; W104-H112 HydrophobicContact CZ3-CB 4.42Å; Y105-H112 VanDerWaalsContact O-CA 3.31Å; Y105-H112 WeakPolarHBondContact O-CA 3.47Å; H106-H112 AromaticContact CE1-NE2 3.96Å; H106-H112 AromaticContact CG-NE2 3.97Å; H106-H112 AromaticContact ND1-CD2 3.72Å; H106-H112 AromaticContact ND1-CE1 3.81Å; H106-H112 AromaticContact ND1-NE2 3.01Å; H106-H112 PolarHBondContact ND1-NE2 3.38Å; S108-H112 PolarHBondContact O-CE1 2.72Å; C109-H112 PolarHBondContact O-CE1 3.4Å
113	F	97.9	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.8	168.6	67.7	-78.2	0	0	0	111.1	F88 A89 Y105 L107 F118 L149 K150 M153	F88-F113 HydrophobicContact CD1-CB 4.5Å; F88-F113 HydrophobicContact CE1-CB 3.99Å; F88-F113 HydrophobicContact CE1-CD1 4.08Å; F88-F113 HydrophobicContact CE1-CG 4.48Å; F88-F113 HydrophobicContact CZ-CB 4.1Å; F88-F113 HydrophobicContact CZ-CD1 4.06Å; F88-F113 HydrophobicContact CZ-CG 4.38Å; A89-F113 HydrophobicContact CB-CB 4.21Å; Y105-F113 HydrophobicContact CD1-CZ 4.15Å; Y105-F113 HydrophobicContact CD2-CD2 4.41Å; Y105-F113 HydrophobicContact CD2-CE2 4.09Å; Y105-F113 HydrophobicContact CD2-CZ 4.39Å; Y105-F113 HydrophobicContact CG-CD2 4.46Å; Y105-F113 HydrophobicContact CG-CE1 4.16Å; Y105-F113 AromaticContact CG-CE2 3.89Å; Y105-F113 HydrophobicContact CG-CE2 3.89Å; Y105-F113 AromaticContact CG-CZ 3.72Å; Y105-F113 HydrophobicContact CG-CZ 3.72Å; Y105-F113 PolarHBondContact N-O 3.08Å; Y105-F113 PolarHBondContact O-N 3.15Å; L107-F113 HydrophobicContact CD1-CD1 3.6Å; L107-F113 HydrophobicContact CD1-CE1 3.33Å; F113-F118 HydrophobicContact CD2-CB 4.24Å; F113-F118 HydrophobicContact CE2-CB 3.76Å; F113-F118 AromaticContact CE2-CD2 3.8Å; F113-F118 HydrophobicContact CE2-CD2 3.8Å; F113-F118 HydrophobicContact CE2-CG 4.27Å; F113-F118 HydrophobicContact CZ-CD2 4.16Å; F113-L149 HydrophobicContact CE2-CD2 4.17Å; F113-K150 HydrophobicContact CE1-CG 4.3Å; F113-K150 HydrophobicContact CZ-CG 4.34Å; F113-M153 HydrophobicContact CD1-CG 4.28Å; F113-M153 HydrophobicContact CD2-CE 3.77Å; F113-M153 HydrophobicContact CD2-CG 4.39Å; F113-M153 HydrophobicContact CD2-SD 4.44Å; F113-M153 HydrophobicContact CE1-CB 4.4Å; F113-M153 HydrophobicContact CE1-CG 4.04Å; F113-M153 HydrophobicContact CE2-CE 3.8Å; F113-M153 HydrophobicContact CE2-CG 4.11Å; F113-M153 HydrophobicContact CG-CE 4.44Å; F113-M153 HydrophobicContact CG-CG 4.46Å; F113-M153 HydrophobicContact CZ-CG 3.93Å
114	C	97.9	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	161.3	-174.1	74.3	0	0	0	0	111.9	C87 A96 T101 W104 E116 C117 F118	C87-C114 HydrophobicContact CB-CB 4.18Å; C87-C114 PolarHBondContact SG-N 3.03Å; C87-C114 VanDerWaalsContact SG-N 3.37Å; A96-C114 HydrophobicContact CB-CB 3.71Å; A96-C114 PolarHBondContact N-SG 3.31Å; A96-C114 VanDerWaalsContact N-SG 3.42Å; T101-C114 HydrophobicContact CG2-CB 3.91Å; W104-C114 HydrophobicContact CE3-CB 4.2Å; W104-C114 HydrophobicContact CH2-CB 4.02Å; W104-C114 HydrophobicContact CZ3-CB 3.73Å; C114-E116 WeakPolarHBondContact CB-OE2 3.43Å; C114-E116 PolarHBondContact O-N 3.43Å; C114-E116 PolarHBondContact SG-OE2 3.31Å; C114-C117 PolarHBondContact O-N 2.92Å; C114-C117 VanDerWaalsContact O-N 3.13Å; C114-C117 VanDerWaalsContact SG-SG 3.68Å; C114-F118 PolarHBondContact O-N 3.13Å
115	N	97.6	Very high	97	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-31.6	-178.9	-174.2	82	0	0	0	113.2	T101 S102 R103 Y105 C117 F118 D119	T101-N115 WeakPolarHBondContact OG1-CB 3.39Å; T101-N115 PolarHBondContact OG1-N 3.03Å; S102-N115 WeakPolarHBondContact OG-CB 3.49Å; S102-N115 PolarHBondContact OG-ND2 3.43Å; R103-N115 HydrophobicContact CB-CB 4.3Å; R103-N115 PolarHBondContact O-N 2.89Å; R103-N115 VanDerWaalsContact O-N 3.08Å; Y105-N115 HydrophobicContact CE2-CB 4.14Å; Y105-N115 PolarHBondContact OH-OD1 3.01Å; N115-C117 VanDerWaalsContact C-N 3.31Å; N115-C117 PolarHBondContact O-N 2.78Å; N115-F118 VanDerWaalsContact O-CB 3.32Å; N115-F118 WeakPolarHBondContact O-CB 3.46Å; N115-F118 PolarHBondContact O-N 3.04Å; N115-D119 PolarHBondContact ND2-OD2 3.44Å; N115-D119 PolarHBondContact O-N 2.82Å
116	E	97.9	Very high	96.9	Very high	48 Å²	48	35.9 Å²	35.9	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-33.6	178.8	-59.3	74.7	-157.7	0	0	111.5	S92 R94 T101 C114 H120	S92-E116 WeakPolarHBondContact CB-O 3.34Å; S92-E116 PolarHBondContact OG-O 2.91Å; R94-E116 HydrophobicContact CB-CB 4.41Å; R94-E116 HydrophobicContact CB-CG 4.43Å; R94-E116 VanDerWaalsContact O-CB 3.25Å; R94-E116 WeakPolarHBondContact O-CB 3.38Å; R94-E116 VanDerWaalsContact O-CG 3.29Å; R94-E116 WeakPolarHBondContact O-CG 3.43Å; T101-E116 WeakPolarHBondContact CB-OE2 3.28Å; T101-E116 VanDerWaalsContact OG1-CD 3.31Å; T101-E116 PolarHBondContact OG1-OE1 3.02Å; T101-E116 VanDerWaalsContact OG1-OE1 3.13Å; T101-E116 PolarHBondContact OG1-OE2 3.12Å; C114-E116 WeakPolarHBondContact CB-OE2 3.43Å; C114-E116 PolarHBondContact O-N 3.43Å; C114-E116 PolarHBondContact SG-OE2 3.31Å; E116-H120 PolarHBondContact O-N 3.07Å
117	C	97.8	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-78.9	-29.4	171.6	-68.5	0	0	0	0	112	C87 A89 C95 C114 N115 Y121	C87-C117 VanDerWaalsContact SG-SG 3.67Å; A89-C117 HydrophobicContact CB-CB 4.07Å; C95-C117 VanDerWaalsContact SG-SG 3.65Å; C114-C117 PolarHBondContact O-N 2.92Å; C114-C117 VanDerWaalsContact O-N 3.13Å; C114-C117 VanDerWaalsContact SG-SG 3.68Å; N115-C117 VanDerWaalsContact C-N 3.31Å; N115-C117 PolarHBondContact O-N 2.78Å; C117-Y121 WeakPolarHBondContact O-CD2 3.47Å
118	F	98	Very high	96.6	Very high	28 Å²	28	42 Å²	42	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-53.9	168.5	177.8	-81.7	0	0	0	110.4	Y105 F113 C114 N115 H120 Y121 Y122 L149	Y105-F118 AromaticContact CD1-CD2 3.71Å; Y105-F118 HydrophobicContact CD1-CD2 3.71Å; Y105-F118 HydrophobicContact CD1-CE2 4.06Å; Y105-F118 HydrophobicContact CD2-CB 3.94Å; Y105-F118 HydrophobicContact CD2-CD2 4.02Å; Y105-F118 HydrophobicContact CD2-CG 4.23Å; Y105-F118 AromaticContact CE1-CD2 3.26Å; Y105-F118 HydrophobicContact CE1-CD2 3.26Å; Y105-F118 AromaticContact CE1-CE2 3.39Å; Y105-F118 HydrophobicContact CE1-CE2 3.39Å; Y105-F118 HydrophobicContact CE1-CG 4.02Å; Y105-F118 HydrophobicContact CE1-CZ 4.19Å; Y105-F118 HydrophobicContact CE2-CB 3.57Å; Y105-F118 HydrophobicContact CE2-CD1 4.37Å; Y105-F118 AromaticContact CE2-CD2 3.66Å; Y105-F118 HydrophobicContact CE2-CD2 3.66Å; Y105-F118 AromaticContact CE2-CG 3.62Å; Y105-F118 HydrophobicContact CE2-CG 3.62Å; Y105-F118 HydrophobicContact CG-CD2 4.05Å; Y105-F118 AromaticContact CZ-CD1 3.99Å; Y105-F118 AromaticContact CZ-CD2 3.23Å; Y105-F118 AromaticContact CZ-CE2 3.66Å; Y105-F118 AromaticContact CZ-CG 3.46Å; Y105-F118 VanDerWaalsContact CZ-CG 3.46Å; F113-F118 HydrophobicContact CD2-CB 4.24Å; F113-F118 HydrophobicContact CE2-CB 3.76Å; F113-F118 AromaticContact CE2-CD2 3.8Å; F113-F118 HydrophobicContact CE2-CD2 3.8Å; F113-F118 HydrophobicContact CE2-CG 4.27Å; F113-F118 HydrophobicContact CZ-CD2 4.16Å; C114-F118 PolarHBondContact O-N 3.13Å; N115-F118 VanDerWaalsContact O-CB 3.32Å; N115-F118 WeakPolarHBondContact O-CB 3.46Å; N115-F118 PolarHBondContact O-N 3.04Å; F118-H120 VanDerWaalsContact C-N 3.27Å; F118-H120 PolarHBondContact O-N 3.38Å; F118-Y121 PolarHBondContact O-N 2.61Å; F118-Y122 HydrophobicContact CD1-CD1 4.48Å; F118-Y122 HydrophobicContact CD1-CG 4.34Å; F118-Y122 AromaticContact CE1-CD1 3.53Å; F118-Y122 HydrophobicContact CE1-CD1 3.53Å; F118-Y122 HydrophobicContact CE1-CD2 4.19Å; F118-Y122 HydrophobicContact CE1-CE1 4.22Å; F118-Y122 AromaticContact CE1-CG 3.52Å; F118-Y122 HydrophobicContact CE1-CG 3.52Å; F118-Y122 HydrophobicContact CZ-CD1 4.04Å; F118-Y122 AromaticContact CZ-CD2 3.97Å; F118-Y122 HydrophobicContact CZ-CD2 3.97Å; F118-Y122 HydrophobicContact CZ-CE1 4.46Å; F118-Y122 HydrophobicContact CZ-CE2 4.39Å; F118-Y122 AromaticContact CZ-CG 3.78Å; F118-Y122 HydrophobicContact CZ-CG 3.78Å; F118-Y122 VanDerWaalsContact O-CB 3.24Å; F118-Y122 WeakPolarHBondContact O-CB 3.29Å; F118-Y122 PolarHBondContact O-N 3.01Å; F118-L149 HydrophobicContact CB-CD2 4.15Å; F118-L149 HydrophobicContact CD1-CD2 4.29Å; F118-L149 HydrophobicContact CD2-CD2 3.25Å; F118-L149 HydrophobicContact CD2-CG 4.44Å; F118-L149 HydrophobicContact CE2-CB 4.2Å; F118-L149 HydrophobicContact CE2-CD2 3.53Å; F118-L149 HydrophobicContact CE2-CG 4.48Å; F118-L149 HydrophobicContact CG-CD2 3.64Å; F118-L149 HydrophobicContact CZ-CD2 4.16Å; F118-L149 WeakPolarHBondContact O-CD2 3.33Å
119	D	97.6	Very high	96.6	Very high	32 Å²	32	45 Å²	45	17%	0.171	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-33.2	-177.9	-79.4	-40.3	0	0	0	112.3	N115 Y121 Y122 R123 K126	N115-D119 PolarHBondContact ND2-OD2 3.44Å; N115-D119 PolarHBondContact O-N 2.82Å; D119-Y121 PolarHBondContact O-N 3.43Å; D119-Y122 PolarHBondContact O-N 3.21Å; D119-R123 HydrophobicContact CB-CG 3.85Å; D119-R123 WeakPolarHBondContact O-CB 3.49Å; D119-R123 WeakPolarHBondContact O-CG 3.45Å; D119-R123 PolarHBondContact O-N 2.97Å; D119-R123 WeakPolarHBondContact OD1-CG 3.31Å; D119-R123 IonicContact OD1-CZ 3.61Å; D119-R123 IonicContact OD1-NE 2.81Å; D119-R123 PolarHBondContact OD1-NE 2.82Å; D119-R123 IonicContact OD1-NH2 3.52Å; D119-K126 WeakPolarHBondContact O-CG 3.29Å
120	H	98	Very high	96.7	Very high	26 Å²	26	52.5 Å²	52.5	12%	0.12	25%	0.251	C	S	.	.	H	α-helix	trans	-55	-37.3	178	176	85.9	0	0	0	113.5	A91 E116 F118 K126 G128	A91-H120 PolarHBondContact O-CE1 2.58Å; E116-H120 PolarHBondContact O-N 3.07Å; F118-H120 VanDerWaalsContact C-N 3.27Å; F118-H120 PolarHBondContact O-N 3.38Å; H120-K126 WeakPolarHBondContact O-CB 3.46Å; H120-G128 WeakPolarHBondContact NE2-CA 3.26Å; H120-G128 PolarHBondContact NE2-N 3.21Å; H120-G128 CarbonylContact O-C 3.59Å; H120-G128 VanDerWaalsContact O-CA 3.28Å; H120-G128 WeakPolarHBondContact O-CA 3.47Å; H120-G128 PolarHBondContact O-N 3.2Å; H120-G128 VanDerWaalsContact O-N 3.17Å
121	Y	97.8	Very high	96.8	Very high	13 Å²	13	55.8 Å²	55.8	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-98.5	-28.5	177.5	-66.8	-73.7	0	0	0	113.1	A91 C117 F118 D119 G128 Y129 F132 L149 F152 M153 Q157	A91-Y121 HydrophobicContact CB-CE2 3.57Å; A91-Y121 VanDerWaalsContact CB-OH 3.24Å; A91-Y121 WeakPolarHBondContact CB-OH 3.33Å; C117-Y121 WeakPolarHBondContact O-CD2 3.47Å; F118-Y121 PolarHBondContact O-N 2.61Å; D119-Y121 PolarHBondContact O-N 3.43Å; Y121-G128 WeakPolarHBondContact CD1-O 3.15Å; Y121-Y129 WeakPolarHBondContact O-CA 3.41Å; Y121-F132 HydrophobicContact CD1-CB 4.44Å; Y121-F132 WeakPolarHBondContact O-CD1 3.45Å; Y121-L149 HydrophobicContact CG-CD1 4.47Å; Y121-F152 AromaticContact CD1-CE1 3.47Å; Y121-F152 HydrophobicContact CD1-CE1 3.47Å; Y121-F152 VanDerWaalsContact CD1-CE1 3.47Å; Y121-F152 AromaticContact CD1-CZ 3.84Å; Y121-F152 HydrophobicContact CD1-CZ 3.84Å; Y121-F152 HydrophobicContact CD2-CE1 4.07Å; Y121-F152 AromaticContact CE1-CE1 3.66Å; Y121-F152 HydrophobicContact CE1-CE1 3.66Å; Y121-F152 AromaticContact CE1-CZ 3.83Å; Y121-F152 HydrophobicContact CE1-CZ 3.83Å; Y121-F152 HydrophobicContact CE2-CE1 4.19Å; Y121-F152 HydrophobicContact CG-CD1 4.4Å; Y121-F152 AromaticContact CG-CE1 3.7Å; Y121-F152 HydrophobicContact CG-CE1 3.7Å; Y121-M153 HydrophobicContact CD2-CE 3.29Å; Y121-M153 HydrophobicContact CD2-SD 4.37Å; Y121-M153 HydrophobicContact CE2-CE 3.66Å; Y121-M153 HydrophobicContact CE2-SD 4.28Å; Y121-M153 HydrophobicContact CG-CE 4.31Å; Y121-Q157 HydrophobicContact CE2-CG 4.36Å; Y121-Q157 PolarHBondContact OH-OE1 3.3Å
122	Y	95.8	Very high	96.7	Very high	116 Å²	116	55.8 Å²	55.8	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-83.3	-33.9	-173.6	-171.4	-106.3	0	0	0	113.8	F118 D119	F118-Y122 HydrophobicContact CD1-CD1 4.48Å; F118-Y122 HydrophobicContact CD1-CG 4.34Å; F118-Y122 AromaticContact CE1-CD1 3.53Å; F118-Y122 HydrophobicContact CE1-CD1 3.53Å; F118-Y122 HydrophobicContact CE1-CD2 4.19Å; F118-Y122 HydrophobicContact CE1-CE1 4.22Å; F118-Y122 AromaticContact CE1-CG 3.52Å; F118-Y122 HydrophobicContact CE1-CG 3.52Å; F118-Y122 HydrophobicContact CZ-CD1 4.04Å; F118-Y122 AromaticContact CZ-CD2 3.97Å; F118-Y122 HydrophobicContact CZ-CD2 3.97Å; F118-Y122 HydrophobicContact CZ-CE1 4.46Å; F118-Y122 HydrophobicContact CZ-CE2 4.39Å; F118-Y122 AromaticContact CZ-CG 3.78Å; F118-Y122 HydrophobicContact CZ-CG 3.78Å; F118-Y122 VanDerWaalsContact O-CB 3.24Å; F118-Y122 WeakPolarHBondContact O-CB 3.29Å; F118-Y122 PolarHBondContact O-N 3.01Å; D119-Y122 PolarHBondContact O-N 3.21Å
123	R	96	Very high	96.7	Very high	118 Å²	118	56.8 Å²	56.8	45%	0.445	28%	0.278	S	S	.	.	S	Bend	trans	-88.5	129	-174.5	-59.1	-63.2	-178.6	170.9	2.4	110.6	D119 H125 K126 Y129	D119-R123 HydrophobicContact CB-CG 3.85Å; D119-R123 WeakPolarHBondContact O-CB 3.49Å; D119-R123 WeakPolarHBondContact O-CG 3.45Å; D119-R123 PolarHBondContact O-N 2.97Å; D119-R123 WeakPolarHBondContact OD1-CG 3.31Å; D119-R123 IonicContact OD1-CZ 3.61Å; D119-R123 IonicContact OD1-NE 2.81Å; D119-R123 PolarHBondContact OD1-NE 2.82Å; D119-R123 IonicContact OD1-NH2 3.52Å; R123-H125 PolarHBondContact O-N 3.01Å; R123-K126 HydrophobicContact CB-CG 3.89Å; R123-K126 WeakPolarHBondContact O-CB 3.37Å; R123-K126 PolarHBondContact O-N 3.48Å; R123-Y129 WeakPolarHBondContact O-CB 3.12Å
124	S	95.3	Very high	96.6	Very high	91 Å²	91	60.5 Å²	60.5	64%	0.636	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.1	-176.3	54.2	0	0	0	0	115.9
125	H	94.4	Very high	96.5	Very high	140 Å²	140	61.2 Å²	61.2	65%	0.648	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	11	-179.6	66.6	-91.6	0	0	0	113.4	R123	R123-H125 PolarHBondContact O-N 3.01Å
126	K	96.9	Very high	96.5	Very high	80 Å²	80	64.9 Å²	64.9	35%	0.348	32%	0.318	S	S	.	.	S	Bend	trans	-110.6	149.1	179.2	-64.8	-64.6	-172.9	-175.1	0	110.7	D119 H120 R123 G128 Y129	D119-K126 WeakPolarHBondContact O-CG 3.29Å; H120-K126 WeakPolarHBondContact O-CB 3.46Å; R123-K126 HydrophobicContact CB-CG 3.89Å; R123-K126 WeakPolarHBondContact O-CB 3.37Å; R123-K126 PolarHBondContact O-N 3.48Å; K126-G128 PolarHBondContact O-N 2.89Å; K126-G128 VanDerWaalsContact O-N 3.14Å; K126-Y129 VanDerWaalsContact O-CB 3.3Å; K126-Y129 WeakPolarHBondContact O-CB 3.5Å; K126-Y129 PolarHBondContact O-N 3Å
127	D	93.8	Very high	96.3	Very high	136 Å²	136	70.1 Å²	70.1	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.5	-171	-47.6	-25	0	0	0	113.8	Y129	D127-Y129 VanDerWaalsContact C-N 3.3Å; D127-Y129 PolarHBondContact O-N 3.24Å
128	G	95.1	Very high	96.2	Very high	2 Å²	2	72.9 Å²	72.9	2%	0.021	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.6	179.1	0	0	0	0	0	114.5	H120 Y121 K126 E130 T131 F132	H120-G128 WeakPolarHBondContact NE2-CA 3.26Å; H120-G128 PolarHBondContact NE2-N 3.21Å; H120-G128 CarbonylContact O-C 3.59Å; H120-G128 VanDerWaalsContact O-CA 3.28Å; H120-G128 WeakPolarHBondContact O-CA 3.47Å; H120-G128 PolarHBondContact O-N 3.2Å; H120-G128 VanDerWaalsContact O-N 3.17Å; Y121-G128 WeakPolarHBondContact CD1-O 3.15Å; K126-G128 PolarHBondContact O-N 2.89Å; K126-G128 VanDerWaalsContact O-N 3.14Å; G128-E130 PolarHBondContact O-N 3.06Å; G128-T131 WeakPolarHBondContact O-CB 3.3Å; G128-T131 PolarHBondContact O-N 2.7Å; G128-F132 PolarHBondContact O-N 3.03Å; G128-F132 VanDerWaalsContact O-N 3.15Å
129	Y	96.3	Very high	96.1	Very high	66 Å²	66	71.8 Å²	71.8	26%	0.259	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-42.5	-171.4	-177	-101.7	0	0	0	113.3	Y121 R123 K126 D127 T131 F132 A133	Y121-Y129 WeakPolarHBondContact O-CA 3.41Å; R123-Y129 WeakPolarHBondContact O-CB 3.12Å; K126-Y129 VanDerWaalsContact O-CB 3.3Å; K126-Y129 WeakPolarHBondContact O-CB 3.5Å; K126-Y129 PolarHBondContact O-N 3Å; D127-Y129 VanDerWaalsContact C-N 3.3Å; D127-Y129 PolarHBondContact O-N 3.24Å; Y129-T131 VanDerWaalsContact C-N 3.3Å; Y129-T131 PolarHBondContact O-N 2.69Å; Y129-F132 PolarHBondContact O-N 3.29Å; Y129-A133 HydrophobicContact CD1-CB 4.44Å; Y129-A133 HydrophobicContact CE1-CB 4.19Å; Y129-A133 VanDerWaalsContact O-CB 3.27Å; Y129-A133 WeakPolarHBondContact O-CB 3.38Å; Y129-A133 PolarHBondContact O-N 2.79Å
130	E	96.3	Very high	95.9	Very high	162 Å²	162	74.6 Å²	74.6	76%	0.757	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-37.6	-179.6	-65.6	-172.3	165	0	0	111.9	G128 A133 S134	G128-E130 PolarHBondContact O-N 3.06Å; E130-A133 PolarHBondContact O-N 2.85Å; E130-S134 VanDerWaalsContact O-CB 3.27Å; E130-S134 WeakPolarHBondContact O-CB 3.48Å; E130-S134 PolarHBondContact O-N 2.78Å
131	T	95.8	Very high	95.7	Very high	78 Å²	78	77 Å²	77	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-47.2	175.8	-59.2	0	0	0	0	110.7	G128 Y129 W135 F152	G128-T131 WeakPolarHBondContact O-CB 3.3Å; G128-T131 PolarHBondContact O-N 2.7Å; Y129-T131 VanDerWaalsContact C-N 3.3Å; Y129-T131 PolarHBondContact O-N 2.69Å; T131-W135 PolarHBondContact O-N 3.09Å; T131-W135 VanDerWaalsContact O-N 3.08Å; T131-F152 HydrophobicContact CG2-CE2 4.22Å; T131-F152 HydrophobicContact CG2-CZ 3.97Å
132	F	97.1	Very high	95.4	Very high	7 Å²	7	79.2 Å²	79.2	3%	0.031	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-42.8	177.4	173.7	-117	0	0	0	112.2	Y121 G128 Y129 S134 W135 R136 L149 F152	Y121-F132 HydrophobicContact CD1-CB 4.44Å; Y121-F132 WeakPolarHBondContact O-CD1 3.45Å; G128-F132 PolarHBondContact O-N 3.03Å; G128-F132 VanDerWaalsContact O-N 3.15Å; Y129-F132 PolarHBondContact O-N 3.29Å; F132-S134 PolarHBondContact O-N 3.27Å; F132-W135 AromaticContact CD2-CE3 3.91Å; F132-W135 HydrophobicContact CD2-CE3 3.91Å; F132-W135 HydrophobicContact CD2-CZ3 4.22Å; F132-W135 AromaticContact CE2-CE3 3.82Å; F132-W135 HydrophobicContact CE2-CE3 3.82Å; F132-W135 AromaticContact CE2-CZ3 3.66Å; F132-W135 HydrophobicContact CE2-CZ3 3.66Å; F132-W135 PolarHBondContact O-N 3.2Å; F132-R136 VanDerWaalsContact O-CB 3.23Å; F132-R136 WeakPolarHBondContact O-CB 3.41Å; F132-R136 PolarHBondContact O-N 2.81Å; F132-L149 HydrophobicContact CD1-CD1 4.32Å; F132-L149 HydrophobicContact CD2-CD1 3.7Å; F132-L149 HydrophobicContact CE1-CD1 4.39Å; F132-L149 HydrophobicContact CE2-CB 4.48Å; F132-L149 HydrophobicContact CE2-CD1 3.78Å; F132-L149 HydrophobicContact CG-CD1 3.98Å; F132-L149 HydrophobicContact CZ-CB 4.47Å; F132-L149 HydrophobicContact CZ-CD1 4.14Å; F132-F152 HydrophobicContact CB-CZ 4.47Å; F132-F152 HydrophobicContact CD2-CB 3.6Å; F132-F152 AromaticContact CD2-CD1 3.95Å; F132-F152 HydrophobicContact CD2-CD1 3.95Å; F132-F152 AromaticContact CD2-CD2 3.89Å; F132-F152 HydrophobicContact CD2-CD2 3.89Å; F132-F152 AromaticContact CD2-CG 3.53Å; F132-F152 HydrophobicContact CD2-CG 3.53Å; F132-F152 HydrophobicContact CE2-CB 3.67Å; F132-F152 HydrophobicContact CE2-CG 4.15Å
133	A	96.6	Very high	95.3	Very high	25 Å²	25	74.1 Å²	74.1	21%	0.207	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-39.6	179.6	0	0	0	0	0	112.2	Y129 E130 R136 K137	Y129-A133 HydrophobicContact CD1-CB 4.44Å; Y129-A133 HydrophobicContact CE1-CB 4.19Å; Y129-A133 VanDerWaalsContact O-CB 3.27Å; Y129-A133 WeakPolarHBondContact O-CB 3.38Å; Y129-A133 PolarHBondContact O-N 2.79Å; E130-A133 PolarHBondContact O-N 2.85Å; A133-R136 PolarHBondContact O-N 2.88Å; A133-K137 PolarHBondContact O-N 2.94Å
134	S	96.2	Very high	95.2	Very high	78 Å²	78	76 Å²	76	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-50.5	174.8	-176.7	0	0	0	0	111.4	E130 F132 R136 K137 V138	E130-S134 VanDerWaalsContact O-CB 3.27Å; E130-S134 WeakPolarHBondContact O-CB 3.48Å; E130-S134 PolarHBondContact O-N 2.78Å; F132-S134 PolarHBondContact O-N 3.27Å; S134-R136 VanDerWaalsContact C-N 3.3Å; S134-R136 PolarHBondContact O-N 2.96Å; S134-K137 WeakPolarHBondContact O-CB 3.46Å; S134-K137 PolarHBondContact O-N 2.73Å; S134-V138 PolarHBondContact O-N 2.92Å
135	W	96.9	Very high	95.2	Very high	14 Å²	14	74.1 Å²	74.1	5%	0.053	38%	0.384	C	S	.	.	H	α-helix	trans	-57.2	-44	174.1	169.5	90.7	0	0	0	111.9	T131 F132 K137 V138 W139 P147 A151 F152 D155 Q156	T131-W135 PolarHBondContact O-N 3.09Å; T131-W135 VanDerWaalsContact O-N 3.08Å; F132-W135 AromaticContact CD2-CE3 3.91Å; F132-W135 HydrophobicContact CD2-CE3 3.91Å; F132-W135 HydrophobicContact CD2-CZ3 4.22Å; F132-W135 AromaticContact CE2-CE3 3.82Å; F132-W135 HydrophobicContact CE2-CE3 3.82Å; F132-W135 AromaticContact CE2-CZ3 3.66Å; F132-W135 HydrophobicContact CE2-CZ3 3.66Å; F132-W135 PolarHBondContact O-N 3.2Å; W135-K137 VanDerWaalsContact C-N 3.27Å; W135-K137 PolarHBondContact O-N 3.39Å; W135-V138 PolarHBondContact O-N 2.99Å; W135-V138 VanDerWaalsContact O-N 3.16Å; W135-W139 AromaticContact CE2-CE3 3.45Å; W135-W139 VanDerWaalsContact CE2-CE3 3.45Å; W135-W139 AromaticContact CE2-CZ3 3.94Å; W135-W139 HydrophobicContact CH2-CB 4.46Å; W135-W139 AromaticContact CH2-CD2 3.89Å; W135-W139 HydrophobicContact CH2-CD2 3.89Å; W135-W139 AromaticContact CH2-CE3 3.96Å; W135-W139 HydrophobicContact CH2-CE3 3.96Å; W135-W139 HydrophobicContact CH2-CG 4.15Å; W135-W139 HydrophobicContact CH2-CZ3 4.41Å; W135-W139 HydrophobicContact CZ2-CB 4.42Å; W135-W139 AromaticContact CZ2-CD2 3.52Å; W135-W139 HydrophobicContact CZ2-CD2 3.52Å; W135-W139 AromaticContact CZ2-CE3 3.11Å; W135-W139 HydrophobicContact CZ2-CE3 3.11Å; W135-W139 HydrophobicContact CZ2-CG 4.13Å; W135-W139 HydrophobicContact CZ2-CH2 4.05Å; W135-W139 HydrophobicContact CZ2-CZ2 4.45Å; W135-W139 AromaticContact CZ2-CZ3 3.41Å; W135-W139 HydrophobicContact CZ2-CZ3 3.41Å; W135-W139 VanDerWaalsContact CZ2-CZ3 3.41Å; W135-W139 AromaticContact NE1-CE3 3.61Å; W135-W139 AromaticContact NE1-CZ3 3.96Å; W135-W139 WeakPolarHBondContact O-CB 3.42Å; W135-W139 PolarHBondContact O-N 2.8Å; W135-P147 HydrophobicContact CH2-CB 3.98Å; W135-P147 HydrophobicContact CZ3-CB 3.65Å; W135-A151 HydrophobicContact CH2-CB 3.88Å; W135-A151 HydrophobicContact CZ2-CB 4.29Å; W135-F152 HydrophobicContact CB-CD2 3.88Å; W135-F152 HydrophobicContact CB-CE2 3.97Å; W135-F152 HydrophobicContact CD2-CB 4.1Å; W135-F152 AromaticContact CD2-CD2 3.57Å; W135-F152 HydrophobicContact CD2-CD2 3.57Å; W135-F152 HydrophobicContact CD2-CG 4.32Å; W135-F152 HydrophobicContact CE3-CB 3.78Å; W135-F152 AromaticContact CE3-CD2 3.82Å; W135-F152 HydrophobicContact CE3-CD2 3.82Å; W135-F152 HydrophobicContact CE3-CG 4.23Å; W135-F152 AromaticContact CG-CD2 3.59Å; W135-F152 HydrophobicContact CG-CD2 3.59Å; W135-F152 HydrophobicContact CG-CE2 4.11Å; W135-F152 HydrophobicContact CH2-CB 3.87Å; W135-F152 HydrophobicContact CZ2-CB 4.1Å; W135-F152 HydrophobicContact CZ3-CB 3.69Å; W135-D155 HydrophobicContact CZ2-CB 4.4Å; W135-D155 PolarHBondContact NE1-OD2 2.76Å; W135-Q156 VanDerWaalsContact CD1-CG 3.47Å; W135-Q156 HydrophobicContact CG-CG 4.19Å
136	R	96.4	Very high	95.3	Very high	102 Å²	102	75.5 Å²	75.5	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-59.2	-40.1	179.6	177.8	175.2	74	175.3	2.5	111.2	F132 A133 S134 W139 T140 P147	F132-R136 VanDerWaalsContact O-CB 3.23Å; F132-R136 WeakPolarHBondContact O-CB 3.41Å; F132-R136 PolarHBondContact O-N 2.81Å; A133-R136 PolarHBondContact O-N 2.88Å; S134-R136 VanDerWaalsContact C-N 3.3Å; S134-R136 PolarHBondContact O-N 2.96Å; R136-W139 PolarHBondContact O-N 3.07Å; R136-T140 WeakPolarHBondContact O-CB 3.32Å; R136-T140 PolarHBondContact O-N 2.92Å; R136-T140 PolarHBondContact O-OG1 2.78Å; R136-P147 HydrophobicContact CB-CB 4.38Å; R136-P147 HydrophobicContact CG-CB 3.78Å; R136-P147 HydrophobicContact CG-CG 3.66Å
137	K	95.4	Very high	95.2	Very high	158 Å²	158	73.3 Å²	73.3	69%	0.687	39%	0.385	S	S	*	.	H	α-helix	trans	-61.8	-48.5	176.2	-176.1	-177.7	176.4	-176.1	0	111.3	A133 S134 W135 W139 T140 S141	A133-K137 PolarHBondContact O-N 2.94Å; S134-K137 WeakPolarHBondContact O-CB 3.46Å; S134-K137 PolarHBondContact O-N 2.73Å; W135-K137 VanDerWaalsContact C-N 3.27Å; W135-K137 PolarHBondContact O-N 3.39Å; K137-W139 VanDerWaalsContact C-N 3.33Å; K137-W139 PolarHBondContact O-N 2.88Å; K137-T140 PolarHBondContact O-N 3.2Å; K137-S141 PolarHBondContact O-N 3.2Å; K137-S141 PolarHBondContact O-OG 2.81Å
138	V	94.7	Very high	95.4	Very high	59 Å²	59	68.9 Å²	68.9	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-46.8	176.6	176.4	0	0	0	0	110.6	S134 W135 T140 S141 N142	S134-V138 PolarHBondContact O-N 2.92Å; W135-V138 PolarHBondContact O-N 2.99Å; W135-V138 VanDerWaalsContact O-N 3.16Å; V138-T140 PolarHBondContact O-N 2.83Å; V138-S141 PolarHBondContact O-N 2.9Å; V138-N142 WeakPolarHBondContact O-CB 3.35Å; V138-N142 PolarHBondContact O-N 2.9Å
139	W	95.6	Very high	95.5	Very high	5 Å²	5	69.2 Å²	69.2	2%	0.019	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-45.5	179.4	-165.1	-78.8	0	0	0	112.5	W135 R136 K137 S141 N142 G143 S145 P147 A151 D155 L231 P253	W135-W139 AromaticContact CE2-CE3 3.45Å; W135-W139 VanDerWaalsContact CE2-CE3 3.45Å; W135-W139 AromaticContact CE2-CZ3 3.94Å; W135-W139 HydrophobicContact CH2-CB 4.46Å; W135-W139 AromaticContact CH2-CD2 3.89Å; W135-W139 HydrophobicContact CH2-CD2 3.89Å; W135-W139 AromaticContact CH2-CE3 3.96Å; W135-W139 HydrophobicContact CH2-CE3 3.96Å; W135-W139 HydrophobicContact CH2-CG 4.15Å; W135-W139 HydrophobicContact CH2-CZ3 4.41Å; W135-W139 HydrophobicContact CZ2-CB 4.42Å; W135-W139 AromaticContact CZ2-CD2 3.52Å; W135-W139 HydrophobicContact CZ2-CD2 3.52Å; W135-W139 AromaticContact CZ2-CE3 3.11Å; W135-W139 HydrophobicContact CZ2-CE3 3.11Å; W135-W139 HydrophobicContact CZ2-CG 4.13Å; W135-W139 HydrophobicContact CZ2-CH2 4.05Å; W135-W139 HydrophobicContact CZ2-CZ2 4.45Å; W135-W139 AromaticContact CZ2-CZ3 3.41Å; W135-W139 HydrophobicContact CZ2-CZ3 3.41Å; W135-W139 VanDerWaalsContact CZ2-CZ3 3.41Å; W135-W139 AromaticContact NE1-CE3 3.61Å; W135-W139 AromaticContact NE1-CZ3 3.96Å; W135-W139 WeakPolarHBondContact O-CB 3.42Å; W135-W139 PolarHBondContact O-N 2.8Å; R136-W139 PolarHBondContact O-N 3.07Å; K137-W139 VanDerWaalsContact C-N 3.33Å; K137-W139 PolarHBondContact O-N 2.88Å; W139-S141 VanDerWaalsContact C-N 3.32Å; W139-S141 PolarHBondContact O-N 3.3Å; W139-N142 PolarHBondContact O-N 3.45Å; W139-G143 WeakPolarHBondContact O-CA 3.24Å; W139-G143 PolarHBondContact O-N 2.99Å; W139-S145 WeakPolarHBondContact CZ2-OG 3.4Å; W139-S145 PolarHBondContact NE1-O 3.14Å; W139-S145 VanDerWaalsContact NE1-O 3.13Å; W139-S145 PolarHBondContact NE1-OG 3.15Å; W139-P147 HydrophobicContact CB-CB 4.08Å; W139-P147 HydrophobicContact CG-CB 3.95Å; W139-A151 HydrophobicContact CZ2-CB 4.45Å; W139-D155 HydrophobicContact CZ3-CB 4.07Å; W139-L231 HydrophobicContact CH2-CD1 3.59Å; W139-L231 HydrophobicContact CZ2-CD1 3.95Å; W139-P253 HydrophobicContact CD2-CB 4.05Å; W139-P253 HydrophobicContact CD2-CG 3.95Å; W139-P253 HydrophobicContact CE3-CB 4.01Å; W139-P253 HydrophobicContact CE3-CG 4.05Å; W139-P253 HydrophobicContact CG-CB 4.42Å; W139-P253 HydrophobicContact CH2-CG 4.23Å; W139-P253 HydrophobicContact CZ2-CG 4.06Å; W139-P253 HydrophobicContact CZ3-CG 4.2Å
140	T	94.4	Very high	95.6	Very high	91 Å²	91	67.9 Å²	67.9	56%	0.558	36%	0.362	S	S	*	.	H	α-helix	trans	-67.7	-30.8	178.5	-58.1	0	0	0	0	112.9	R136 K137 V138	R136-T140 WeakPolarHBondContact O-CB 3.32Å; R136-T140 PolarHBondContact O-N 2.92Å; R136-T140 PolarHBondContact O-OG1 2.78Å; K137-T140 PolarHBondContact O-N 3.2Å; V138-T140 PolarHBondContact O-N 2.83Å
141	S	92.9	Very high	95.7	Very high	76 Å²	76	60.5 Å²	60.5	53%	0.531	33%	0.329	S	S	.	.	H	α-helix	trans	-74.3	-30.5	176.5	-67.5	0	0	0	0	113.1	K137 V138 W139	K137-S141 PolarHBondContact O-N 3.2Å; K137-S141 PolarHBondContact O-OG 2.81Å; V138-S141 PolarHBondContact O-N 2.9Å; W139-S141 VanDerWaalsContact C-N 3.32Å; W139-S141 PolarHBondContact O-N 3.3Å
142	N	91.6	Very high	95.8	Very high	59 Å²	59	56.9 Å²	56.9	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-111.7	-24.1	-169.3	-64.6	-10.9	0	0	0	114.4	V138 W139 Y245 P246 P253	V138-N142 WeakPolarHBondContact O-CB 3.35Å; V138-N142 PolarHBondContact O-N 2.9Å; W139-N142 PolarHBondContact O-N 3.45Å; N142-Y245 WeakPolarHBondContact O-CD1 3.21Å; N142-P246 WeakPolarHBondContact O-CD 3.25Å; N142-P253 HydrophobicContact CB-CB 3.99Å; N142-P253 WeakPolarHBondContact CB-O 3.24Å; N142-P253 PolarHBondContact ND2-O 3.27Å
143	G	92.8	Very high	95.8	Very high	10 Å²	10	56.5 Å²	56.5	10%	0.103	31%	0.305	C	S	.	.			trans	-115.5	167.4	-173.4	0	0	0	0	0	113.2	W139 D247	W139-G143 WeakPolarHBondContact O-CA 3.24Å; W139-G143 PolarHBondContact O-N 2.99Å; G143-D247 WeakPolarHBondContact CA-OD1 2.87Å
144	K	95.3	Very high	95.9	Very high	156 Å²	156	56.7 Å²	56.7	68%	0.678	31%	0.306	S	S	*	.	S	Bend	trans	-103	-27.1	178.1	-171	174.7	-179.1	176.1	0	113.2	Y245 D247	K144-Y245 HydrophobicContact CB-CD2 4.32Å; K144-Y245 HydrophobicContact CB-CG 4.14Å; K144-Y245 HydrophobicContact CD-CD2 4.39Å; K144-D247 VanDerWaalsContact N-CG 3.34Å; K144-D247 PolarHBondContact N-OD1 3.16Å; K144-D247 PolarHBondContact N-OD2 2.86Å
145	S	95.3	Very high	96	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-74.7	155.7	-178.6	61.3	0	0	0	0	112.8	W139 D247	W139-S145 WeakPolarHBondContact CZ2-OG 3.4Å; W139-S145 PolarHBondContact NE1-O 3.14Å; W139-S145 VanDerWaalsContact NE1-O 3.13Å; W139-S145 PolarHBondContact NE1-OG 3.15Å; S145-D247 WeakPolarHBondContact CB-OD2 3.31Å; S145-D247 PolarHBondContact N-OD2 3.22Å; S145-D247 PolarHBondContact OG-OD2 3.21Å
146	E	95.8	Very high	95.9	Very high	169 Å²	169	55.6 Å²	55.6	79%	0.79	29%	0.293	S	S	*	.			trans	-67.4	129.2	179.7	-67.3	-171.9	170	0	0	111.9	S148	E146-S148 PolarHBondContact O-N 2.65Å
147	P	96	Very high	95.9	Very high	34 Å²	34	51.9 Å²	51.9	22%	0.221	28%	0.28	C	S	.	.			trans	-78.7	67.1	179.1	33.8	-37.3	0	0	0	111.3	W135 R136 W139	W135-P147 HydrophobicContact CH2-CB 3.98Å; W135-P147 HydrophobicContact CZ3-CB 3.65Å; R136-P147 HydrophobicContact CB-CB 4.38Å; R136-P147 HydrophobicContact CG-CB 3.78Å; R136-P147 HydrophobicContact CG-CG 3.66Å; W139-P147 HydrophobicContact CB-CB 4.08Å; W139-P147 HydrophobicContact CG-CB 3.95Å
148	S	97.4	Very high	96	Very high	43 Å²	43	44.6 Å²	44.6	30%	0.301	25%	0.249	S	C	.	.			trans	-71.9	159.7	178.1	75.2	0	0	0	0	111.8	E146 K150 A151 F152	E146-S148 PolarHBondContact O-N 2.65Å; S148-K150 PolarHBondContact O-N 2.78Å; S148-A151 WeakPolarHBondContact O-CB 3.39Å; S148-A151 PolarHBondContact O-N 3.13Å; S148-A151 VanDerWaalsContact O-N 3.14Å; S148-A151 PolarHBondContact OG-N 3.32Å; S148-A151 VanDerWaalsContact OG-N 3.11Å; S148-F152 PolarHBondContact O-N 3.18Å
149	L	97.3	Very high	96.1	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-31.3	174.8	-167.5	70.9	0	0	0	112.2	F113 F118 Y121 F132 A151 F152 M153	F113-L149 HydrophobicContact CE2-CD2 4.17Å; F118-L149 HydrophobicContact CB-CD2 4.15Å; F118-L149 HydrophobicContact CD1-CD2 4.29Å; F118-L149 HydrophobicContact CD2-CD2 3.25Å; F118-L149 HydrophobicContact CD2-CG 4.44Å; F118-L149 HydrophobicContact CE2-CB 4.2Å; F118-L149 HydrophobicContact CE2-CD2 3.53Å; F118-L149 HydrophobicContact CE2-CG 4.48Å; F118-L149 HydrophobicContact CG-CD2 3.64Å; F118-L149 HydrophobicContact CZ-CD2 4.16Å; F118-L149 WeakPolarHBondContact O-CD2 3.33Å; Y121-L149 HydrophobicContact CG-CD1 4.47Å; F132-L149 HydrophobicContact CD1-CD1 4.32Å; F132-L149 HydrophobicContact CD2-CD1 3.7Å; F132-L149 HydrophobicContact CE1-CD1 4.39Å; F132-L149 HydrophobicContact CE2-CB 4.48Å; F132-L149 HydrophobicContact CE2-CD1 3.78Å; F132-L149 HydrophobicContact CG-CD1 3.98Å; F132-L149 HydrophobicContact CZ-CB 4.47Å; F132-L149 HydrophobicContact CZ-CD1 4.14Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-F152 HydrophobicContact CD1-CB 4.47Å; L149-F152 HydrophobicContact CD1-CD1 3.94Å; L149-F152 PolarHBondContact O-N 2.91Å; L149-M153 HydrophobicContact CD2-CE 4.29Å; L149-M153 HydrophobicContact CG-CE 4.33Å; L149-M153 HydrophobicContact CG-CG 4.46Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 WeakPolarHBondContact O-CG 3.41Å; L149-M153 PolarHBondContact O-N 2.68Å
150	K	98	Very high	96.2	Very high	38 Å²	38	42.1 Å²	42.1	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-39.1	173.9	-68.2	-168.2	178.1	-165.7	0	111.3	E76 H106 L107 F113 S148 M153 A154 I227 L228	E76-K150 IonicContact OE1-NZ 3.44Å; E76-K150 PolarHBondContact OE1-NZ 3.19Å; H106-K150 WeakPolarHBondContact O-CE 3.46Å; H106-K150 PolarHBondContact O-NZ 2.68Å; L107-K150 HydrophobicContact CD1-CB 4.46Å; L107-K150 HydrophobicContact CD1-CG 4.36Å; F113-K150 HydrophobicContact CE1-CG 4.3Å; F113-K150 HydrophobicContact CZ-CG 4.34Å; S148-K150 PolarHBondContact O-N 2.78Å; K150-M153 PolarHBondContact O-N 3.04Å; K150-A154 WeakPolarHBondContact O-CB 3.32Å; K150-A154 PolarHBondContact O-N 2.91Å; K150-I227 HydrophobicContact CD-CG2 3.96Å; K150-L228 HydrophobicContact CB-CD1 4.13Å
151	A	97.9	Very high	96.4	Very high	7 Å²	7	37.9 Å²	37.9	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-44.8	174.6	0	0	0	0	0	111.4	W135 W139 S148 L149 M153 A154 D155 L228	W135-A151 HydrophobicContact CH2-CB 3.88Å; W135-A151 HydrophobicContact CZ2-CB 4.29Å; W139-A151 HydrophobicContact CZ2-CB 4.45Å; S148-A151 WeakPolarHBondContact O-CB 3.39Å; S148-A151 PolarHBondContact O-N 3.13Å; S148-A151 VanDerWaalsContact O-N 3.14Å; S148-A151 PolarHBondContact OG-N 3.32Å; S148-A151 VanDerWaalsContact OG-N 3.11Å; L149-A151 VanDerWaalsContact C-N 3.32Å; A151-M153 VanDerWaalsContact C-N 3.34Å; A151-M153 PolarHBondContact O-N 3Å; A151-A154 PolarHBondContact O-N 3.41Å; A151-D155 WeakPolarHBondContact O-CB 3.43Å; A151-D155 PolarHBondContact O-N 3.49Å; A151-L228 HydrophobicContact CB-CD1 3.72Å; A151-L228 VanDerWaalsContact N-CD1 3.34Å
152	F	98.3	Very high	96.6	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-46	173	171.5	-103.9	0	0	0	112.4	Y121 T131 F132 W135 S148 L149 A154 D155 Q156 Q157	Y121-F152 AromaticContact CD1-CE1 3.47Å; Y121-F152 HydrophobicContact CD1-CE1 3.47Å; Y121-F152 VanDerWaalsContact CD1-CE1 3.47Å; Y121-F152 AromaticContact CD1-CZ 3.84Å; Y121-F152 HydrophobicContact CD1-CZ 3.84Å; Y121-F152 HydrophobicContact CD2-CE1 4.07Å; Y121-F152 AromaticContact CE1-CE1 3.66Å; Y121-F152 HydrophobicContact CE1-CE1 3.66Å; Y121-F152 AromaticContact CE1-CZ 3.83Å; Y121-F152 HydrophobicContact CE1-CZ 3.83Å; Y121-F152 HydrophobicContact CE2-CE1 4.19Å; Y121-F152 HydrophobicContact CG-CD1 4.4Å; Y121-F152 AromaticContact CG-CE1 3.7Å; Y121-F152 HydrophobicContact CG-CE1 3.7Å; T131-F152 HydrophobicContact CG2-CE2 4.22Å; T131-F152 HydrophobicContact CG2-CZ 3.97Å; F132-F152 HydrophobicContact CB-CZ 4.47Å; F132-F152 HydrophobicContact CD2-CB 3.6Å; F132-F152 AromaticContact CD2-CD1 3.95Å; F132-F152 HydrophobicContact CD2-CD1 3.95Å; F132-F152 AromaticContact CD2-CD2 3.89Å; F132-F152 HydrophobicContact CD2-CD2 3.89Å; F132-F152 AromaticContact CD2-CG 3.53Å; F132-F152 HydrophobicContact CD2-CG 3.53Å; F132-F152 HydrophobicContact CE2-CB 3.67Å; F132-F152 HydrophobicContact CE2-CG 4.15Å; W135-F152 HydrophobicContact CB-CD2 3.88Å; W135-F152 HydrophobicContact CB-CE2 3.97Å; W135-F152 HydrophobicContact CD2-CB 4.1Å; W135-F152 AromaticContact CD2-CD2 3.57Å; W135-F152 HydrophobicContact CD2-CD2 3.57Å; W135-F152 HydrophobicContact CD2-CG 4.32Å; W135-F152 HydrophobicContact CE3-CB 3.78Å; W135-F152 AromaticContact CE3-CD2 3.82Å; W135-F152 HydrophobicContact CE3-CD2 3.82Å; W135-F152 HydrophobicContact CE3-CG 4.23Å; W135-F152 AromaticContact CG-CD2 3.59Å; W135-F152 HydrophobicContact CG-CD2 3.59Å; W135-F152 HydrophobicContact CG-CE2 4.11Å; W135-F152 HydrophobicContact CH2-CB 3.87Å; W135-F152 HydrophobicContact CZ2-CB 4.1Å; W135-F152 HydrophobicContact CZ3-CB 3.69Å; S148-F152 PolarHBondContact O-N 3.18Å; L149-F152 HydrophobicContact CD1-CB 4.47Å; L149-F152 HydrophobicContact CD1-CD1 3.94Å; L149-F152 PolarHBondContact O-N 2.91Å; F152-A154 VanDerWaalsContact C-N 3.34Å; F152-A154 PolarHBondContact O-N 3.1Å; F152-D155 PolarHBondContact O-N 3.28Å; F152-Q156 HydrophobicContact CD2-CB 3.99Å; F152-Q156 HydrophobicContact CD2-CG 3.77Å; F152-Q156 HydrophobicContact CE2-CB 3.78Å; F152-Q156 HydrophobicContact CE2-CG 3.77Å; F152-Q156 HydrophobicContact CZ-CB 4.22Å; F152-Q156 VanDerWaalsContact O-CB 3.32Å; F152-Q156 WeakPolarHBondContact O-CB 3.36Å; F152-Q156 PolarHBondContact O-N 3.23Å; F152-Q157 HydrophobicContact CD1-CG 4.27Å; F152-Q157 HydrophobicContact CE1-CG 3.67Å; F152-Q157 HydrophobicContact CZ-CG 4.11Å
153	M	98.3	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-61.7	-44.3	179.1	-72.3	-68	-177.3	0	0	111.5	F88 A89 L107 F113 Y121 L149 K150 A151 Q157 L158	F88-M153 HydrophobicContact CE2-SD 4.44Å; F88-M153 HydrophobicContact CZ-CB 4.09Å; A89-M153 HydrophobicContact CB-SD 4.3Å; L107-M153 HydrophobicContact CD2-CB 4.28Å; F113-M153 HydrophobicContact CD1-CG 4.28Å; F113-M153 HydrophobicContact CD2-CE 3.77Å; F113-M153 HydrophobicContact CD2-CG 4.39Å; F113-M153 HydrophobicContact CD2-SD 4.44Å; F113-M153 HydrophobicContact CE1-CB 4.4Å; F113-M153 HydrophobicContact CE1-CG 4.04Å; F113-M153 HydrophobicContact CE2-CE 3.8Å; F113-M153 HydrophobicContact CE2-CG 4.11Å; F113-M153 HydrophobicContact CG-CE 4.44Å; F113-M153 HydrophobicContact CG-CG 4.46Å; F113-M153 HydrophobicContact CZ-CG 3.93Å; Y121-M153 HydrophobicContact CD2-CE 3.29Å; Y121-M153 HydrophobicContact CD2-SD 4.37Å; Y121-M153 HydrophobicContact CE2-CE 3.66Å; Y121-M153 HydrophobicContact CE2-SD 4.28Å; Y121-M153 HydrophobicContact CG-CE 4.31Å; L149-M153 HydrophobicContact CD2-CE 4.29Å; L149-M153 HydrophobicContact CG-CE 4.33Å; L149-M153 HydrophobicContact CG-CG 4.46Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 WeakPolarHBondContact O-CG 3.41Å; L149-M153 PolarHBondContact O-N 2.68Å; K150-M153 PolarHBondContact O-N 3.04Å; A151-M153 VanDerWaalsContact C-N 3.34Å; A151-M153 PolarHBondContact O-N 3Å; M153-Q157 CarbonylContact O-C 3.58Å; M153-Q157 PolarHBondContact O-N 3.18Å; M153-Q157 HydrophobicContact SD-CB 3.87Å; M153-Q157 HydrophobicContact SD-CG 3.88Å; M153-L158 PolarHBondContact O-N 2.75Å
154	A	97.9	Very high	97	Very high	28 Å²	28	33.1 Å²	33.1	23%	0.231	17%	0.173	C	C	.	.	I	π-helix	trans	-65.3	-40.1	177.5	0	0	0	0	0	112.3	L107 K150 A151 F152 L158 R353	L107-A154 HydrophobicContact CD2-CB 3.84Å; K150-A154 WeakPolarHBondContact O-CB 3.32Å; K150-A154 PolarHBondContact O-N 2.91Å; A151-A154 PolarHBondContact O-N 3.41Å; F152-A154 VanDerWaalsContact C-N 3.34Å; F152-A154 PolarHBondContact O-N 3.1Å; A154-L158 HydrophobicContact CB-CD1 4.36Å; A154-R353 WeakPolarHBondContact O-CB 3.38Å
155	D	97.4	Very high	97	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	15%	0.152	C	C	.	.	I	π-helix	trans	-84.2	-29.8	-173	-177.4	61.7	0	0	0	113.9	W135 W139 A151 F152 K233 S252 S254 R353	W135-D155 HydrophobicContact CZ2-CB 4.4Å; W135-D155 PolarHBondContact NE1-OD2 2.76Å; W139-D155 HydrophobicContact CZ3-CB 4.07Å; A151-D155 WeakPolarHBondContact O-CB 3.43Å; A151-D155 PolarHBondContact O-N 3.49Å; F152-D155 PolarHBondContact O-N 3.28Å; D155-K233 VanDerWaalsContact CG-NZ 3.3Å; D155-K233 WeakPolarHBondContact O-CE 3.48Å; D155-K233 PolarHBondContact O-NZ 2.87Å; D155-K233 IonicContact OD1-NZ 3.48Å; D155-K233 PolarHBondContact OD1-NZ 2.94Å; D155-K233 IonicContact OD2-NZ 2.79Å; D155-S252 WeakPolarHBondContact OD1-CB 3.37Å; D155-S252 PolarHBondContact OD1-OG 2.88Å; D155-S254 PolarHBondContact OD1-OG 2.88Å; D155-S254 PolarHBondContact OD2-OG 2.98Å; D155-R353 VanDerWaalsContact O-CD 3.32Å; D155-R353 WeakPolarHBondContact O-CD 3.21Å; D155-R353 PolarHBondContact O-NE 2.91Å
156	Q	96.2	Very high	96.9	Very high	60 Å²	60	28.2 Å²	28.2	28%	0.28	15%	0.148	S	C	.	.	I	π-helix	trans	-120.8	-32.8	-170.6	-62	-63.6	-44.6	0	0	114.6	W135 F152 S254 R353	W135-Q156 VanDerWaalsContact CD1-CG 3.47Å; W135-Q156 HydrophobicContact CG-CG 4.19Å; F152-Q156 HydrophobicContact CD2-CB 3.99Å; F152-Q156 HydrophobicContact CD2-CG 3.77Å; F152-Q156 HydrophobicContact CE2-CB 3.78Å; F152-Q156 HydrophobicContact CE2-CG 3.77Å; F152-Q156 HydrophobicContact CZ-CB 4.22Å; F152-Q156 VanDerWaalsContact O-CB 3.32Å; F152-Q156 WeakPolarHBondContact O-CB 3.36Å; F152-Q156 PolarHBondContact O-N 3.23Å; Q156-S254 PolarHBondContact NE2-OG 2.6Å; Q156-S254 VanDerWaalsContact NE2-OG 3.13Å; Q156-R353 PolarHBondContact O-NE 3.17Å; Q156-R353 PolarHBondContact O-NH2 2.92Å
157	Q	96.6	Very high	96.7	Very high	23 Å²	23	25.1 Å²	25.1	11%	0.107	14%	0.142	C	C	.	.	I	π-helix	trans	-110.6	-27.6	-166.9	-58.3	-55.4	-50.1	0	0	114.5	F88 Y121 F152 M153	F88-Q157 HydrophobicContact CE2-CB 4.35Å; Y121-Q157 HydrophobicContact CE2-CG 4.36Å; Y121-Q157 PolarHBondContact OH-OE1 3.3Å; F152-Q157 HydrophobicContact CD1-CG 4.27Å; F152-Q157 HydrophobicContact CE1-CG 3.67Å; F152-Q157 HydrophobicContact CZ-CG 4.11Å; M153-Q157 CarbonylContact O-C 3.58Å; M153-Q157 PolarHBondContact O-N 3.18Å; M153-Q157 HydrophobicContact SD-CB 3.87Å; M153-Q157 HydrophobicContact SD-CG 3.88Å
158	L	96.8	Very high	96.6	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-57.6	134.6	178.3	-92.8	-178.2	0	0	0	110.7	F88 L107 E111 M153 A154 R353	F88-L158 HydrophobicContact CD1-CD2 3.57Å; F88-L158 HydrophobicContact CD2-CD2 3.64Å; F88-L158 HydrophobicContact CD2-CG 4.3Å; F88-L158 HydrophobicContact CE1-CD2 3.55Å; F88-L158 HydrophobicContact CE1-CG 4.28Å; F88-L158 HydrophobicContact CE2-CB 4.47Å; F88-L158 HydrophobicContact CE2-CD2 3.61Å; F88-L158 HydrophobicContact CE2-CG 3.86Å; F88-L158 HydrophobicContact CG-CD2 3.64Å; F88-L158 HydrophobicContact CZ-CD2 3.57Å; F88-L158 HydrophobicContact CZ-CG 3.85Å; L107-L158 HydrophobicContact CD2-CD1 3.61Å; L107-L158 HydrophobicContact CD2-CG 3.99Å; E111-L158 HydrophobicContact CB-CD2 4.09Å; E111-L158 HydrophobicContact CG-CD2 4.04Å; M153-L158 PolarHBondContact O-N 2.75Å; A154-L158 HydrophobicContact CB-CD1 4.36Å; L158-R353 HydrophobicContact CB-CB 3.67Å; L158-R353 WeakPolarHBondContact O-CB 3.3Å; L158-R353 WeakPolarHBondContact O-CD 3.43Å; L158-R353 VanDerWaalsContact O-CG 3.26Å; L158-R353 WeakPolarHBondContact O-CG 3.21Å; L158-R353 PolarHBondContact O-NH1 2.96Å
159	P	97.1	Very high	96.4	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.058	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-63.3	148.2	173.3	-23.8	35.4	0	0	0	111.6	Q174 G354	P159-Q174 HydrophobicContact CB-CG 3.71Å; P159-Q174 HydrophobicContact CG-CG 4.45Å; P159-G354 WeakPolarHBondContact O-CA 3.48Å; P159-G354 PolarHBondContact O-N 3.32Å
160	F	97.9	Very high	96.3	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-77.1	151.2	172.2	-73.9	-78.1	0	0	0	111.3	L175 L181 I351 V352 R353	F160-L175 HydrophobicContact CB-CB 4.49Å; F160-L175 HydrophobicContact CB-CD1 4.05Å; F160-L175 PolarHBondContact O-N 2.82Å; F160-L181 HydrophobicContact CB-CB 3.84Å; F160-L181 HydrophobicContact CB-CD2 4.45Å; F160-L181 HydrophobicContact CD1-CB 3.54Å; F160-L181 HydrophobicContact CD1-CD2 3.99Å; F160-L181 HydrophobicContact CD1-CG 4.43Å; F160-L181 HydrophobicContact CD2-CB 3.89Å; F160-L181 HydrophobicContact CE1-CB 3.97Å; F160-L181 HydrophobicContact CE2-CB 4.27Å; F160-L181 HydrophobicContact CG-CB 3.49Å; F160-L181 VanDerWaalsContact CG-CB 3.49Å; F160-L181 HydrophobicContact CG-CD2 4.47Å; F160-L181 HydrophobicContact CZ-CB 4.31Å; F160-I351 HydrophobicContact CE1-CG2 3.95Å; F160-I351 HydrophobicContact CZ-CG2 4.33Å; F160-V352 WeakPolarHBondContact CD1-O 3.39Å; F160-R353 HydrophobicContact CD1-CB 4.39Å; F160-R353 HydrophobicContact CD1-CG 3.87Å; F160-R353 HydrophobicContact CD2-CG 4.21Å; F160-R353 HydrophobicContact CE1-CB 4.28Å; F160-R353 HydrophobicContact CE1-CG 3.46Å; F160-R353 VanDerWaalsContact CE1-CG 3.46Å; F160-R353 HydrophobicContact CE2-CG 3.84Å; F160-R353 VanDerWaalsContact CE2-NH1 3.3Å; F160-R353 HydrophobicContact CG-CG 4.23Å; F160-R353 HydrophobicContact CZ-CG 3.45Å; F160-R353 VanDerWaalsContact CZ-CG 3.45Å
161	W	98.1	Very high	96.3	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138	171.5	-71.3	80	0	0	0	110.2	W172 R173 Q174 D211 V214 L355 R357 V358	W161-W172 HydrophobicContact CB-CE3 4.07Å; W161-W172 HydrophobicContact CB-CZ3 4.28Å; W161-W172 HydrophobicContact CE3-CB 4.35Å; W161-R173 WeakPolarHBondContact CA-O 3.37Å; W161-Q174 HydrophobicContact CD2-CB 4.08Å; W161-Q174 HydrophobicContact CD2-CG 4.44Å; W161-Q174 HydrophobicContact CE3-CB 4.13Å; W161-Q174 HydrophobicContact CH2-CB 3.93Å; W161-Q174 HydrophobicContact CZ2-CB 3.86Å; W161-Q174 HydrophobicContact CZ2-CG 4.07Å; W161-Q174 HydrophobicContact CZ3-CB 4.06Å; W161-D211 HydrophobicContact CH2-CB 3.81Å; W161-D211 HydrophobicContact CZ3-CB 3.99Å; W161-V214 HydrophobicContact CE3-CG2 4.09Å; W161-V214 HydrophobicContact CH2-CG2 4.23Å; W161-V214 HydrophobicContact CZ3-CG2 3.55Å; W161-L355 HydrophobicContact CD2-CD2 3.78Å; W161-L355 HydrophobicContact CD2-CG 4.45Å; W161-L355 VanDerWaalsContact CE2-CD2 3.45Å; W161-L355 HydrophobicContact CE3-CD2 4.11Å; W161-L355 HydrophobicContact CG-CD2 4.39Å; W161-L355 HydrophobicContact CH2-CD2 3.86Å; W161-L355 HydrophobicContact CZ2-CD1 4.47Å; W161-L355 HydrophobicContact CZ2-CD2 3.5Å; W161-L355 HydrophobicContact CZ2-CG 3.9Å; W161-L355 HydrophobicContact CZ3-CD2 4.15Å; W161-R357 VanDerWaalsContact O-CD 3.3Å; W161-R357 WeakPolarHBondContact O-CD 3.26Å; W161-R357 PolarHBondContact O-NH1 2.69Å; W161-V358 HydrophobicContact CB-CG2 4.35Å
162	V	97.4	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.6	-178.9	64.2	0	0	0	0	110.9	W172 R173 L175 L181 Y189	V162-W172 WeakPolarHBondContact O-CA 3.31Å; V162-R173 PolarHBondContact N-O 3.32Å; V162-R173 PolarHBondContact O-N 2.8Å; V162-L175 HydrophobicContact CB-CD1 4.4Å; V162-L175 HydrophobicContact CG1-CD1 3.98Å; V162-L175 HydrophobicContact CG1-CD2 3.65Å; V162-L175 HydrophobicContact CG1-CG 3.78Å; V162-L181 HydrophobicContact CB-CD1 4.18Å; V162-L181 HydrophobicContact CG2-CD1 4.11Å; V162-Y189 HydrophobicContact CB-CD1 4.3Å; V162-Y189 HydrophobicContact CB-CG 4.34Å; V162-Y189 HydrophobicContact CG1-CD1 3.49Å; V162-Y189 VanDerWaalsContact CG1-CD1 3.49Å; V162-Y189 HydrophobicContact CG1-CD2 3.73Å; V162-Y189 HydrophobicContact CG1-CE1 3.54Å; V162-Y189 HydrophobicContact CG1-CE2 3.75Å; V162-Y189 HydrophobicContact CG1-CG 3.6Å; V162-Y189 HydrophobicContact CG2-CD1 3.92Å; V162-Y189 HydrophobicContact CG2-CD2 4.48Å; V162-Y189 HydrophobicContact CG2-CG 3.76Å
163	Q	96.9	Very high	96.2	Very high	45 Å²	45	36.5 Å²	36.5	21%	0.21	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	138.3	178.8	-163.8	177.8	33.1	0	0	110.3	T165 R170 W172	Q163-T165 PolarHBondContact O-N 3.27Å; Q163-R170 WeakPolarHBondContact CG-O 3.36Å; Q163-R170 PolarHBondContact NE2-O 3.43Å; Q163-W172 HydrophobicContact CB-CD2 3.93Å; Q163-W172 HydrophobicContact CB-CE3 4.16Å; Q163-W172 HydrophobicContact CB-CH2 4.34Å; Q163-W172 HydrophobicContact CB-CZ2 4.06Å; Q163-W172 HydrophobicContact CB-CZ3 4.39Å; Q163-W172 HydrophobicContact CG-CD2 4.29Å; Q163-W172 HydrophobicContact CG-CG 4.47Å
164	C	95.9	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-64.5	130.1	172.8	-170.3	0	0	0	0	111.4	K166 C169 K171 C191	C164-K166 VanDerWaalsContact C-N 3.32Å; C164-K166 PolarHBondContact O-N 2.6Å; C164-C169 HydrophobicContact CB-CB 4.34Å; C164-K171 WeakPolarHBondContact CB-O 3.41Å; C164-K171 PolarHBondContact N-O 2.79Å; C164-C191 VanDerWaalsContact CB-SG 3.6Å; C164-C191 VanDerWaalsContact SG-SG 3.63Å
165	T	94.7	Very high	96	Very high	39 Å²	39	39.2 Å²	39.2	24%	0.239	20%	0.195	C	C	.	.			trans	-80.4	-9.4	178.8	59.1	0	0	0	0	113.7	Q163 P167 A187 Y189	Q163-T165 PolarHBondContact O-N 3.27Å; T165-P167 WeakPolarHBondContact O-CD 3.48Å; T165-A187 WeakPolarHBondContact CG2-O 3.45Å; T165-Y189 WeakPolarHBondContact CB-O 3.45Å; T165-Y189 WeakPolarHBondContact CG2-O 3.35Å; T165-Y189 PolarHBondContact N-O 3.18Å; T165-Y189 PolarHBondContact OG1-O 2.85Å
166	K	93.3	Very high	95.7	Very high	66 Å²	66	42.6 Å²	42.6	29%	0.287	22%	0.216	S	C	.	.			trans	-64.4	121.4	175	-175.4	-178.8	179.1	-175.6	0	109.1	C164 D168 C169 R170	C164-K166 VanDerWaalsContact C-N 3.32Å; C164-K166 PolarHBondContact O-N 2.6Å; K166-D168 VanDerWaalsContact C-N 3.3Å; K166-D168 PolarHBondContact O-N 2.8Å; K166-C169 HydrophobicContact CB-CB 3.98Å; K166-C169 HydrophobicContact CD-CB 4.25Å; K166-C169 HydrophobicContact CG-CB 4.31Å; K166-C169 PolarHBondContact O-N 3.02Å; K166-R170 PolarHBondContact O-N 3.06Å
167	P	91.2	Very high	95.3	Very high	103 Å²	103	42.7 Å²	42.7	67%	0.669	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-41.3	-175	-30	36.5	0	0	0	114.2	T165 C169 R170	T165-P167 WeakPolarHBondContact O-CD 3.48Å; P167-C169 VanDerWaalsContact C-N 3.28Å; P167-C169 PolarHBondContact O-N 3.23Å; P167-R170 WeakPolarHBondContact O-CG 3.37Å
168	D	93.4	Very high	94.8	Very high	153 Å²	153	48 Å²	48	82%	0.818	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	1	-178.6	-45.5	-45	0	0	0	114	K166	K166-D168 VanDerWaalsContact C-N 3.3Å; K166-D168 PolarHBondContact O-N 2.8Å
169	C	94.8	Very high	94.6	Very high	19 Å²	19	49.1 Å²	49.1	13%	0.128	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-66.5	-179.8	-179.8	0	0	0	0	111.9	C164 K166 P167 K171 C206	C164-C169 HydrophobicContact CB-CB 4.34Å; K166-C169 HydrophobicContact CB-CB 3.98Å; K166-C169 HydrophobicContact CD-CB 4.25Å; K166-C169 HydrophobicContact CG-CB 4.31Å; K166-C169 PolarHBondContact O-N 3.02Å; P167-C169 VanDerWaalsContact C-N 3.28Å; P167-C169 PolarHBondContact O-N 3.23Å; C169-K171 PolarHBondContact O-N 3.18Å; C169-C206 HydrophobicContact CB-CB 3.98Å; C169-C206 VanDerWaalsContact SG-CB 3.59Å
170	R	95	Very high	94.3	Very high	105 Å²	105	53.7 Å²	53.7	40%	0.396	27%	0.267	S	S	.	.			trans	51.3	11.8	-178.7	-56.4	-62.6	-64.8	-174.8	-6.8	116.9	Q163 K166 P167	Q163-R170 WeakPolarHBondContact CG-O 3.36Å; Q163-R170 PolarHBondContact NE2-O 3.43Å; K166-R170 PolarHBondContact O-N 3.06Å; P167-R170 WeakPolarHBondContact O-CG 3.37Å
171	K	96.9	Very high	94.2	Very high	51 Å²	51	53.9 Å²	53.9	22%	0.222	27%	0.268	C	S	.	.			trans	-69.4	143.3	177	-65.5	176.3	-178.5	168.7	0	111.9	C164 C169 C206 Q208 E210	C164-K171 WeakPolarHBondContact CB-O 3.41Å; C164-K171 PolarHBondContact N-O 2.79Å; C169-K171 PolarHBondContact O-N 3.18Å; K171-C206 PolarHBondContact NZ-O 2.75Å; K171-Q208 PolarHBondContact NZ-O 3.37Å; K171-E210 VanDerWaalsContact CA-OE1 3.29Å; K171-E210 WeakPolarHBondContact CA-OE1 3.48Å; K171-E210 HydrophobicContact CB-CB 4.48Å; K171-E210 HydrophobicContact CB-CG 4.44Å; K171-E210 HydrophobicContact CD-CB 4.38Å; K171-E210 HydrophobicContact CG-CB 4.28Å
172	W	97.8	Very high	94	Very high	11 Å²	11	56.4 Å²	56.4	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	141.1	170.2	-72.5	91	0	0	0	111.6	W161 V162 Q163 E210 V214 R357 V358 V361	W161-W172 HydrophobicContact CB-CE3 4.07Å; W161-W172 HydrophobicContact CB-CZ3 4.28Å; W161-W172 HydrophobicContact CE3-CB 4.35Å; V162-W172 WeakPolarHBondContact O-CA 3.31Å; Q163-W172 HydrophobicContact CB-CD2 3.93Å; Q163-W172 HydrophobicContact CB-CE3 4.16Å; Q163-W172 HydrophobicContact CB-CH2 4.34Å; Q163-W172 HydrophobicContact CB-CZ2 4.06Å; Q163-W172 HydrophobicContact CB-CZ3 4.39Å; Q163-W172 HydrophobicContact CG-CD2 4.29Å; Q163-W172 HydrophobicContact CG-CG 4.47Å; W172-E210 WeakPolarHBondContact CB-OE1 3.31Å; W172-E210 PolarHBondContact N-OE1 3.47Å; W172-V214 HydrophobicContact CB-CG1 3.94Å; W172-V214 HydrophobicContact CB-CG2 3.83Å; W172-V214 HydrophobicContact CG-CG1 3.98Å; W172-R357 HydrophobicContact CZ3-CG 4.48Å; W172-V358 HydrophobicContact CD2-CB 4.44Å; W172-V358 HydrophobicContact CD2-CG1 4.25Å; W172-V358 HydrophobicContact CD2-CG2 3.72Å; W172-V358 HydrophobicContact CE3-CG2 3.65Å; W172-V358 HydrophobicContact CG-CG1 4.5Å; W172-V358 HydrophobicContact CG-CG2 4.22Å; W172-V358 HydrophobicContact CH2-CB 4.37Å; W172-V358 HydrophobicContact CH2-CG2 4.18Å; W172-V358 HydrophobicContact CZ2-CB 4.27Å; W172-V358 HydrophobicContact CZ2-CG1 4.08Å; W172-V358 HydrophobicContact CZ2-CG2 4.3Å; W172-V358 HydrophobicContact CZ3-CG2 3.85Å; W172-V361 HydrophobicContact CH2-CB 3.88Å; W172-V361 HydrophobicContact CH2-CG1 4.17Å; W172-V361 HydrophobicContact CH2-CG2 3.88Å; W172-V361 HydrophobicContact CZ2-CB 3.93Å; W172-V361 HydrophobicContact CZ2-CG1 3.9Å; W172-V361 HydrophobicContact CZ2-CG2 4.42Å
173	R	97.3	Very high	93.9	Very high	34 Å²	34	57.8 Å²	57.8	13%	0.128	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.6	179.5	-60.2	-62.7	179.5	-146.6	14	109.9	W161 V162 Y189 C191 Q205 Q208 P209	W161-R173 WeakPolarHBondContact CA-O 3.37Å; V162-R173 PolarHBondContact N-O 3.32Å; V162-R173 PolarHBondContact O-N 2.8Å; R173-Y189 HydrophobicContact CB-CE1 4.05Å; R173-Y189 WeakPolarHBondContact CB-OH 3.39Å; R173-Y189 HydrophobicContact CG-CE1 4.04Å; R173-C191 PolarHBondContact NE-SG 3.16Å; R173-C191 VanDerWaalsContact NE-SG 3.38Å; R173-Q205 PolarHBondContact NH2-O 2.71Å; R173-Q208 PolarHBondContact NH2-O 2.85Å; R173-P209 PolarHBondContact NH1-O 3.09Å
174	Q	96.8	Very high	93.8	Very high	74 Å²	74	59.8 Å²	59.8	35%	0.346	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.6	167.2	-168.5	171.4	41	0	0	108.6	P159 W161	P159-Q174 HydrophobicContact CB-CG 3.71Å; P159-Q174 HydrophobicContact CG-CG 4.45Å; W161-Q174 HydrophobicContact CD2-CB 4.08Å; W161-Q174 HydrophobicContact CD2-CG 4.44Å; W161-Q174 HydrophobicContact CE3-CB 4.13Å; W161-Q174 HydrophobicContact CH2-CB 3.93Å; W161-Q174 HydrophobicContact CZ2-CB 3.86Å; W161-Q174 HydrophobicContact CZ2-CG 4.07Å; W161-Q174 HydrophobicContact CZ3-CB 4.06Å
175	L	95.1	Very high	93.7	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.052	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79.1	154.3	171.6	-63.8	177.9	0	0	0	109.8	F160 V162 I179 L181 L185 Y189	F160-L175 HydrophobicContact CB-CB 4.49Å; F160-L175 HydrophobicContact CB-CD1 4.05Å; F160-L175 PolarHBondContact O-N 2.82Å; V162-L175 HydrophobicContact CB-CD1 4.4Å; V162-L175 HydrophobicContact CG1-CD1 3.98Å; V162-L175 HydrophobicContact CG1-CD2 3.65Å; V162-L175 HydrophobicContact CG1-CG 3.78Å; L175-I179 HydrophobicContact CB-CB 4.2Å; L175-I179 HydrophobicContact CB-CD1 4.48Å; L175-I179 HydrophobicContact CB-CG2 4.34Å; L175-I179 HydrophobicContact CD1-CG2 3.87Å; L175-I179 HydrophobicContact CD2-CD1 4.49Å; L175-I179 HydrophobicContact CG-CG2 4.5Å; L175-L181 HydrophobicContact CD1-CD1 4.09Å; L175-L185 HydrophobicContact CD1-CD2 4.14Å; L175-Y189 HydrophobicContact CD2-CD2 4.39Å; L175-Y189 HydrophobicContact CD2-CE2 3.73Å
176	T	91.3	Very high	93.8	Very high	81 Å²	81	59.8 Å²	59.8	50%	0.497	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-66.3	155.7	173.5	72.3	0	0	0	0	110	E178 I179	T176-E178 WeakPolarHBondContact CB-OE2 3.44Å; T176-E178 PolarHBondContact O-N 3.37Å; T176-E178 PolarHBondContact OG1-OE2 3.25Å; T176-I179 PolarHBondContact O-N 3.29Å; T176-I179 VanDerWaalsContact O-N 3.08Å; T176-I179 WeakPolarHBondContact OG1-CD1 3.47Å; T176-I179 WeakPolarHBondContact OG1-CG1 3.05Å
177	K	87.5	Confident	93.8	Very high	62 Å²	62	58.6 Å²	58.6	27%	0.27	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29	-167.9	-176.1	-178.7	175.5	-174.6	0	113.5	A89	A89-K177 WeakPolarHBondContact O-CE 3.41Å; A89-K177 PolarHBondContact O-NZ 3.15Å
178	E	86.7	Confident	94	Very high	135 Å²	135	56.2 Å²	56.2	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-24.6	-173.9	-49	69	-149.2	0	0	111.8	T176 Q180	T176-E178 WeakPolarHBondContact CB-OE2 3.44Å; T176-E178 PolarHBondContact O-N 3.37Å; T176-E178 PolarHBondContact OG1-OE2 3.25Å; E178-Q180 PolarHBondContact O-N 3.1Å
179	I	90.8	Very high	94.1	Very high	30 Å²	30	49.5 Å²	49.5	15%	0.154	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-77.4	123	-175.9	-60.6	172.3	0	0	0	109.4	L175 T176 L185 V195	L175-I179 HydrophobicContact CB-CB 4.2Å; L175-I179 HydrophobicContact CB-CD1 4.48Å; L175-I179 HydrophobicContact CB-CG2 4.34Å; L175-I179 HydrophobicContact CD1-CG2 3.87Å; L175-I179 HydrophobicContact CD2-CD1 4.49Å; L175-I179 HydrophobicContact CG-CG2 4.5Å; T176-I179 PolarHBondContact O-N 3.29Å; T176-I179 VanDerWaalsContact O-N 3.08Å; T176-I179 WeakPolarHBondContact OG1-CD1 3.47Å; T176-I179 WeakPolarHBondContact OG1-CG1 3.05Å; I179-L185 HydrophobicContact CG2-CD2 3.92Å; I179-V195 HydrophobicContact CB-CG2 4.4Å; I179-V195 HydrophobicContact CD1-CG2 3.96Å; I179-V195 HydrophobicContact CG1-CG2 3.85Å; I179-V195 HydrophobicContact CG2-CG2 3.73Å
180	Q	92.5	Very high	94	Very high	104 Å²	104	53.9 Å²	53.9	49%	0.486	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-87.6	129.6	169.8	-55.4	-53.8	-44.4	0	0	109.7	E178	E178-Q180 PolarHBondContact O-N 3.1Å
181	L	94.8	Very high	93.9	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-78	127	173.9	-175.8	68	0	0	0	109.7	F160 V162 L175 L185 A186 I351	F160-L181 HydrophobicContact CB-CB 3.84Å; F160-L181 HydrophobicContact CB-CD2 4.45Å; F160-L181 HydrophobicContact CD1-CB 3.54Å; F160-L181 HydrophobicContact CD1-CD2 3.99Å; F160-L181 HydrophobicContact CD1-CG 4.43Å; F160-L181 HydrophobicContact CD2-CB 3.89Å; F160-L181 HydrophobicContact CE1-CB 3.97Å; F160-L181 HydrophobicContact CE2-CB 4.27Å; F160-L181 HydrophobicContact CG-CB 3.49Å; F160-L181 VanDerWaalsContact CG-CB 3.49Å; F160-L181 HydrophobicContact CG-CD2 4.47Å; F160-L181 HydrophobicContact CZ-CB 4.31Å; V162-L181 HydrophobicContact CB-CD1 4.18Å; V162-L181 HydrophobicContact CG2-CD1 4.11Å; L175-L181 HydrophobicContact CD1-CD1 4.09Å; L181-L185 HydrophobicContact CD1-CB 4.46Å; L181-L185 HydrophobicContact CD1-CD2 4.21Å; L181-L185 HydrophobicContact CD1-CG 4.29Å; L181-A186 HydrophobicContact CD1-CB 4.14Å; L181-I351 HydrophobicContact CD2-CD1 4.11Å; L181-I351 HydrophobicContact CG-CD1 4.04Å; L181-I351 WeakPolarHBondContact O-CG2 3.43Å
182	T	95.2	Very high	93.4	Very high	55 Å²	55	48.6 Å²	48.6	34%	0.337	27%	0.274	S	S	.	.			trans	-118.3	160.9	172.4	62.5	0	0	0	0	109.7	S184 L185 A186	T182-S184 VanDerWaalsContact C-N 3.28Å; T182-S184 PolarHBondContact O-N 2.99Å; T182-S184 PolarHBondContact OG1-OG 3.01Å; T182-S184 VanDerWaalsContact OG1-OG 3.05Å; T182-L185 PolarHBondContact O-N 3.08Å; T182-L185 WeakPolarHBondContact OG1-CB 3.3Å; T182-L185 PolarHBondContact OG1-N 3.47Å; T182-L185 VanDerWaalsContact OG1-N 3.17Å; T182-A186 PolarHBondContact O-N 3.21Å
183	A	94.4	Very high	92.8	Very high	29 Å²	29	50.6 Å²	50.6	24%	0.24	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-39.2	176.3	0	0	0	0	0	113	A186 A187 Q348	A183-A186 PolarHBondContact O-N 2.95Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 3.17Å; A183-Q348 VanDerWaalsContact CA-O 3.22Å; A183-Q348 WeakPolarHBondContact CA-O 3.1Å; A183-Q348 WeakPolarHBondContact CB-O 3.48Å
184	S	94.4	Very high	91.7	Very high	88 Å²	88	56.8 Å²	56.8	62%	0.615	31%	0.313	S	S	*	.	H	α-helix	trans	-64.3	-43.8	176.4	56.9	0	0	0	0	112.3	T182 A187 A188	T182-S184 VanDerWaalsContact C-N 3.28Å; T182-S184 PolarHBondContact O-N 2.99Å; T182-S184 PolarHBondContact OG1-OG 3.01Å; T182-S184 VanDerWaalsContact OG1-OG 3.05Å; S184-A187 PolarHBondContact O-N 3.45Å; S184-A188 PolarHBondContact O-N 3.16Å; S184-A188 VanDerWaalsContact O-N 3.16Å
185	L	94.4	Very high	90.1	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.141	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-46.8	173.6	-179.1	59.1	0	0	0	111.2	L175 I179 L181 T182 A187 A188 Y189	L175-L185 HydrophobicContact CD1-CD2 4.14Å; I179-L185 HydrophobicContact CG2-CD2 3.92Å; L181-L185 HydrophobicContact CD1-CB 4.46Å; L181-L185 HydrophobicContact CD1-CD2 4.21Å; L181-L185 HydrophobicContact CD1-CG 4.29Å; T182-L185 PolarHBondContact O-N 3.08Å; T182-L185 WeakPolarHBondContact OG1-CB 3.3Å; T182-L185 PolarHBondContact OG1-N 3.47Å; T182-L185 VanDerWaalsContact OG1-N 3.17Å; L185-A187 VanDerWaalsContact C-N 3.27Å; L185-A187 PolarHBondContact O-N 3.39Å; L185-A188 PolarHBondContact O-N 3.24Å; L185-Y189 HydrophobicContact CD1-CD2 4.24Å; L185-Y189 WeakPolarHBondContact O-CA 3.34Å; L185-Y189 VanDerWaalsContact O-CB 3.24Å; L185-Y189 WeakPolarHBondContact O-CB 3.33Å; L185-Y189 PolarHBondContact O-N 3.13Å
186	A	95.3	Very high	88.2	Confident	11 Å²	11	64.7 Å²	64.7	9%	0.091	36%	0.361	C	S	.	.	H	α-helix	trans	-59.6	-37.7	177.7	0	0	0	0	0	112.3	L181 T182 A183	L181-A186 HydrophobicContact CD1-CB 4.14Å; T182-A186 PolarHBondContact O-N 3.21Å; A183-A186 PolarHBondContact O-N 2.95Å
187	A	95.1	Very high	86.3	Confident	41 Å²	41	66.1 Å²	66.1	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-70	-28.3	179.3	0	0	0	0	0	113.9	T165 A183 S184 L185 Q348	T165-A187 WeakPolarHBondContact CG2-O 3.45Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 3.17Å; S184-A187 PolarHBondContact O-N 3.45Å; L185-A187 VanDerWaalsContact C-N 3.27Å; L185-A187 PolarHBondContact O-N 3.39Å; A187-Q348 VanDerWaalsContact CB-CD 3.5Å; A187-Q348 HydrophobicContact CB-CG 3.81Å
188	A	94.9	Very high	84.5	Confident	54 Å²	54	69.4 Å²	69.4	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-112.4	-6.9	-173.3	0	0	0	0	0	114.4	S184 L185 R190 M193	S184-A188 PolarHBondContact O-N 3.16Å; S184-A188 VanDerWaalsContact O-N 3.16Å; L185-A188 PolarHBondContact O-N 3.24Å; A188-R190 PolarHBondContact O-N 3Å; A188-M193 VanDerWaalsContact O-SD 3.35Å
189	Y	94.5	Very high	82.6	Confident	12 Å²	12	70.4 Å²	70.4	5%	0.047	39%	0.392	C	S	.	.			trans	-61	134.9	-168.9	-178.9	-96	0	0	0	113.6	V162 T165 R173 L175 L185 M193	V162-Y189 HydrophobicContact CB-CD1 4.3Å; V162-Y189 HydrophobicContact CB-CG 4.34Å; V162-Y189 HydrophobicContact CG1-CD1 3.49Å; V162-Y189 VanDerWaalsContact CG1-CD1 3.49Å; V162-Y189 HydrophobicContact CG1-CD2 3.73Å; V162-Y189 HydrophobicContact CG1-CE1 3.54Å; V162-Y189 HydrophobicContact CG1-CE2 3.75Å; V162-Y189 HydrophobicContact CG1-CG 3.6Å; V162-Y189 HydrophobicContact CG2-CD1 3.92Å; V162-Y189 HydrophobicContact CG2-CD2 4.48Å; V162-Y189 HydrophobicContact CG2-CG 3.76Å; T165-Y189 WeakPolarHBondContact CB-O 3.45Å; T165-Y189 WeakPolarHBondContact CG2-O 3.35Å; T165-Y189 PolarHBondContact N-O 3.18Å; T165-Y189 PolarHBondContact OG1-O 2.85Å; R173-Y189 HydrophobicContact CB-CE1 4.05Å; R173-Y189 WeakPolarHBondContact CB-OH 3.39Å; R173-Y189 HydrophobicContact CG-CE1 4.04Å; L175-Y189 HydrophobicContact CD2-CD2 4.39Å; L175-Y189 HydrophobicContact CD2-CE2 3.73Å; L185-Y189 HydrophobicContact CD1-CD2 4.24Å; L185-Y189 WeakPolarHBondContact O-CA 3.34Å; L185-Y189 VanDerWaalsContact O-CB 3.24Å; L185-Y189 WeakPolarHBondContact O-CB 3.33Å; L185-Y189 PolarHBondContact O-N 3.13Å; Y189-M193 HydrophobicContact CD2-CB 4.32Å; Y189-M193 HydrophobicContact CE2-CB 4.3Å
190	R	93.8	Very high	80.9	Confident	110 Å²	110	74.3 Å²	74.3	42%	0.415	41%	0.413	S	S	.	.			trans	-127.7	150.7	169.2	-63.1	-175.1	178.9	-101.3	-1.8	109.1	A188 G192 M193	A188-R190 PolarHBondContact O-N 3Å; R190-G192 PolarHBondContact O-N 3.41Å; R190-M193 HydrophobicContact CB-CG 4Å; R190-M193 HydrophobicContact CB-SD 3.72Å; R190-M193 HydrophobicContact CG-SD 4.1Å; R190-M193 PolarHBondContact N-SD 2.94Å; R190-M193 WeakPolarHBondContact O-CB 3.32Å; R190-M193 WeakPolarHBondContact O-CG 3.39Å; R190-M193 PolarHBondContact O-N 2.82Å
191	C	93.1	Very high	78.6	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.034	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	129.7	178.9	-62.9	0	0	0	0	110.3	C164 R173 Q205	C164-C191 VanDerWaalsContact CB-SG 3.6Å; C164-C191 VanDerWaalsContact SG-SG 3.63Å; R173-C191 PolarHBondContact NE-SG 3.16Å; R173-C191 VanDerWaalsContact NE-SG 3.38Å; C191-Q205 HydrophobicContact CB-CB 3.77Å; C191-Q205 WeakPolarHBondContact O-CB 3.39Å
192	G	85.1	Confident	77	Confident	40 Å²	40	79.5 Å²	79.5	41%	0.412	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-3.4	179.5	0	0	0	0	0	116.2	R190 K194	R190-G192 PolarHBondContact O-N 3.41Å; G192-K194 PolarHBondContact O-N 3.48Å
193	M	86.6	Confident	75.5	Confident	54 Å²	54	81.5 Å²	81.5	27%	0.266	46%	0.464	S	S	.	.			trans	-60.4	125	174.9	-77.7	-179.6	62.5	0	0	111.1	A188 Y189 R190	A188-M193 VanDerWaalsContact O-SD 3.35Å; Y189-M193 HydrophobicContact CD2-CB 4.32Å; Y189-M193 HydrophobicContact CE2-CB 4.3Å; R190-M193 HydrophobicContact CB-CG 4Å; R190-M193 HydrophobicContact CB-SD 3.72Å; R190-M193 HydrophobicContact CG-SD 4.1Å; R190-M193 PolarHBondContact N-SD 2.94Å; R190-M193 WeakPolarHBondContact O-CB 3.32Å; R190-M193 WeakPolarHBondContact O-CG 3.39Å; R190-M193 PolarHBondContact O-N 2.82Å
194	K	74.1	Confident	74.9	Confident	164 Å²	164	84.2 Å²	84.2	71%	0.713	48%	0.475	S	S	*	.	B	Isolated β-bridge	trans	-100.6	136.6	168.8	-64.8	-178.6	-178.9	177.4	0	108.2	G192 N196 N197	G192-K194 PolarHBondContact O-N 3.48Å; K194-N196 PolarHBondContact O-N 2.75Å; K194-N197 PolarHBondContact O-N 3.4Å
195	V	61.6	Low	74.6	Confident	96 Å²	96	83.1 Å²	83.1	58%	0.582	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.2	-169.5	-176.1	0	0	0	0	114	I179	I179-V195 HydrophobicContact CB-CG2 4.4Å; I179-V195 HydrophobicContact CD1-CG2 3.96Å; I179-V195 HydrophobicContact CG1-CG2 3.85Å; I179-V195 HydrophobicContact CG2-CG2 3.73Å
196	N	56.2	Low	74.5	Confident	153 Å²	153	82.7 Å²	82.7	82%	0.818	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	6	-177.4	-66.2	-11.1	0	0	0	115.4	K194	K194-N196 PolarHBondContact O-N 2.75Å
197	N	50.7	Low	74.4	Confident	112 Å²	112	85.8 Å²	85.8	60%	0.599	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-148	115.6	179	-111.4	-20.8	0	0	0	111.5	K194 K199	K194-N197 PolarHBondContact O-N 3.4Å; N197-K199 PolarHBondContact O-N 2.74Å
198	V	50.6	Low	74.3	Confident	131 Å²	131	88.5 Å²	88.5	79%	0.794	49%	0.486	S	S	*	.			trans	-77.5	-12.4	176.8	-174	0	0	0	0	111.7	I200	V198-I200 PolarHBondContact O-N 2.87Å
199	K	47.2	Very low	74.3	Confident	155 Å²	155	90.8 Å²	90.8	67%	0.674	50%	0.496	S	S	*	.			trans	-72.2	111.7	175.9	-73.4	-172.3	175.5	-174.6	0	110.6	N197 E201	N197-K199 PolarHBondContact O-N 2.74Å; K199-E201 VanDerWaalsContact C-N 3.27Å; K199-E201 HydrophobicContact CB-CG 4.43Å; K199-E201 PolarHBondContact O-N 2.88Å
200	I	53.7	Low	74.4	Confident	113 Å²	113	93.4 Å²	93.4	58%	0.579	51%	0.509	S	S	*	.			trans	-76.2	81.4	168.6	-54.1	172.3	0	0	0	107	V198	V198-I200 PolarHBondContact O-N 2.87Å
201	E	45.9	Very low	74.5	Confident	168 Å²	168	90.8 Å²	90.8	79%	0.785	50%	0.503	S	S	*	.			trans	-97.1	108	170.7	-77.8	-179.7	-168.6	0	0	109	K199	K199-E201 VanDerWaalsContact C-N 3.27Å; K199-E201 HydrophobicContact CB-CG 4.43Å; K199-E201 PolarHBondContact O-N 2.88Å
202	G	60.7	Low	74.6	Confident	52 Å²	52	97.6 Å²	97.6	54%	0.536	54%	0.538	S	S	.	.	S	Bend	trans	148.8	172.2	177.5	0	0	0	0	0	114
203	P	64.3	Low	75.1	Confident	96 Å²	96	98.6 Å²	98.6	62%	0.623	53%	0.53	S	S	*	.	S	Bend	trans	-58.7	154.7	176.3	25.1	-33.5	0	0	0	111.6	Q205	P203-Q205 WeakPolarHBondContact O-CG 3.4Å; P203-Q205 PolarHBondContact O-N 2.84Å; P203-Q205 PolarHBondContact O-NE2 2.71Å
204	D	80.6	Confident	75.6	Confident	86 Å²	86	96.2 Å²	96.2	46%	0.46	52%	0.518	S	S	.	.			trans	-53.8	99.9	-177	-179.8	16.5	0	0	0	111.9	C206 S207	D204-C206 PolarHBondContact O-N 3.17Å; D204-C206 VanDerWaalsContact O-N 3.17Å; D204-C206 WeakPolarHBondContact OD1-CB 3.36Å; D204-C206 PolarHBondContact OD1-N 2.99Å; D204-S207 VanDerWaalsContact O-CB 3.32Å; D204-S207 WeakPolarHBondContact O-CB 3.43Å; D204-S207 PolarHBondContact O-N 3.32Å; D204-S207 PolarHBondContact O-OG 2.86Å
205	Q	88.4	Confident	76.5	Confident	65 Å²	65	91.5 Å²	91.5	30%	0.304	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	-178.8	-61.1	-63.6	-48.8	0	0	112.5	R173 C191 P203 S207	R173-Q205 PolarHBondContact NH2-O 2.71Å; C191-Q205 HydrophobicContact CB-CB 3.77Å; C191-Q205 WeakPolarHBondContact O-CB 3.39Å; P203-Q205 WeakPolarHBondContact O-CG 3.4Å; P203-Q205 PolarHBondContact O-N 2.84Å; P203-Q205 PolarHBondContact O-NE2 2.71Å; Q205-S207 VanDerWaalsContact C-N 3.29Å
206	C	92.3	Very high	78	Confident	18 Å²	18	89.9 Å²	89.9	12%	0.122	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.9	171.5	-60.7	0	0	0	0	111.7	C169 K171 D204 Q208	C169-C206 HydrophobicContact CB-CB 3.98Å; C169-C206 VanDerWaalsContact SG-CB 3.59Å; K171-C206 PolarHBondContact NZ-O 2.75Å; D204-C206 PolarHBondContact O-N 3.17Å; D204-C206 VanDerWaalsContact O-N 3.17Å; D204-C206 WeakPolarHBondContact OD1-CB 3.36Å; D204-C206 PolarHBondContact OD1-N 2.99Å; C206-Q208 VanDerWaalsContact C-N 3.32Å; C206-Q208 PolarHBondContact O-N 2.91Å
207	S	92.6	Very high	79.8	Confident	77 Å²	77	82.8 Å²	82.8	54%	0.538	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-27.8	179	70.8	0	0	0	0	112.7	D204 Q205	D204-S207 VanDerWaalsContact O-CB 3.32Å; D204-S207 WeakPolarHBondContact O-CB 3.43Å; D204-S207 PolarHBondContact O-N 3.32Å; D204-S207 PolarHBondContact O-OG 2.86Å; Q205-S207 VanDerWaalsContact C-N 3.29Å
208	Q	93.6	Very high	81.6	Confident	97 Å²	97	81 Å²	81	45%	0.453	45%	0.454	S	S	.	.	S	Bend	trans	-54.5	138.2	177.4	-65.8	-63.7	-24.1	0	0	111.6	K171 R173 C206	K171-Q208 PolarHBondContact NZ-O 3.37Å; R173-Q208 PolarHBondContact NH2-O 2.85Å; C206-Q208 VanDerWaalsContact C-N 3.32Å; C206-Q208 PolarHBondContact O-N 2.91Å
209	P	95.6	Very high	83.5	Confident	102 Å²	102	79.4 Å²	79.4	66%	0.662	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-53.6	150	176.5	-26.3	34.9	0	0	0	112.2	R173	R173-P209 PolarHBondContact NH1-O 3.09Å
210	E	96.4	Very high	85.3	Confident	67 Å²	67	77.6 Å²	77.6	31%	0.313	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-71.5	148.3	166.9	-167.9	169.4	-124.9	0	0	109.6	K171 W172 L212 V214	K171-E210 VanDerWaalsContact CA-OE1 3.29Å; K171-E210 WeakPolarHBondContact CA-OE1 3.48Å; K171-E210 HydrophobicContact CB-CB 4.48Å; K171-E210 HydrophobicContact CB-CG 4.44Å; K171-E210 HydrophobicContact CD-CB 4.38Å; K171-E210 HydrophobicContact CG-CB 4.28Å; W172-E210 WeakPolarHBondContact CB-OE1 3.31Å; W172-E210 PolarHBondContact N-OE1 3.47Å; E210-L212 PolarHBondContact O-N 3.25Å; E210-V214 HydrophobicContact CG-CB 4.07Å; E210-V214 HydrophobicContact CG-CG1 4.33Å; E210-V214 HydrophobicContact CG-CG2 4.04Å
211	D	96.1	Very high	87	Confident	55 Å²	55	76.7 Å²	76.7	29%	0.294	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-64.1	127.2	174.7	-170.4	-53.7	0	0	0	109	W161 R213 V214	W161-D211 HydrophobicContact CH2-CB 3.81Å; W161-D211 HydrophobicContact CZ3-CB 3.99Å; D211-R213 PolarHBondContact O-N 3.47Å; D211-R213 WeakPolarHBondContact OD1-CB 3.39Å; D211-R213 WeakPolarHBondContact OD1-CG 3.21Å; D211-R213 IonicContact OD1-CZ 3.83Å; D211-R213 PolarHBondContact OD1-N 2.97Å; D211-R213 IonicContact OD1-NE 3.8Å; D211-R213 PolarHBondContact OD1-NE 2.64Å; D211-R213 IonicContact OD1-NH2 2.75Å; D211-R213 IonicContact OD2-CZ 2.69Å; D211-R213 IonicContact OD2-NE 3.41Å; D211-R213 PolarHBondContact OD2-NE 3.2Å; D211-R213 IonicContact OD2-NH2 2.91Å; D211-R213 PolarHBondContact OD2-NH2 3.27Å; D211-V214 HydrophobicContact CB-CG2 4.31Å; D211-V214 WeakPolarHBondContact O-CB 3.12Å; D211-V214 WeakPolarHBondContact O-CG2 3.31Å; D211-V214 PolarHBondContact O-N 3.03Å
212	L	94.6	Very high	89.2	Confident	148 Å²	148	68.8 Å²	68.8	78%	0.775	40%	0.397	S	S	*	.	H	α-helix	trans	-58.2	-26.3	-174.2	-62.5	176.3	0	0	0	112.9	E210 V214 A215	E210-L212 PolarHBondContact O-N 3.25Å; L212-V214 PolarHBondContact O-N 2.84Å; L212-A215 PolarHBondContact O-N 2.79Å
213	R	95.2	Very high	90.6	Very high	61 Å²	61	68.7 Å²	68.7	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-22.2	177.6	-63	174.3	-69.7	170.7	-1.6	113.1	G110 D211 E216 L355	G110-R213 WeakPolarHBondContact O-CD 3.24Å; G110-R213 PolarHBondContact O-NH1 3.18Å; G110-R213 VanDerWaalsContact O-NH1 3.14Å; D211-R213 PolarHBondContact O-N 3.47Å; D211-R213 WeakPolarHBondContact OD1-CB 3.39Å; D211-R213 WeakPolarHBondContact OD1-CG 3.21Å; D211-R213 IonicContact OD1-CZ 3.83Å; D211-R213 PolarHBondContact OD1-N 2.97Å; D211-R213 IonicContact OD1-NE 3.8Å; D211-R213 PolarHBondContact OD1-NE 2.64Å; D211-R213 IonicContact OD1-NH2 2.75Å; D211-R213 IonicContact OD2-CZ 2.69Å; D211-R213 IonicContact OD2-NE 3.41Å; D211-R213 PolarHBondContact OD2-NE 3.2Å; D211-R213 IonicContact OD2-NH2 2.91Å; D211-R213 PolarHBondContact OD2-NH2 3.27Å; R213-E216 PolarHBondContact O-N 3.18Å; R213-L355 HydrophobicContact CB-CD1 3.84Å
214	V	96.3	Very high	91.8	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.03	38%	0.382	C	S	.	.	H	α-helix	trans	-67	-39.9	177.3	178.5	0	0	0	0	110.4	W161 W172 E210 D211 L212 E216 V217 L355 V358	W161-V214 HydrophobicContact CE3-CG2 4.09Å; W161-V214 HydrophobicContact CH2-CG2 4.23Å; W161-V214 HydrophobicContact CZ3-CG2 3.55Å; W172-V214 HydrophobicContact CB-CG1 3.94Å; W172-V214 HydrophobicContact CB-CG2 3.83Å; W172-V214 HydrophobicContact CG-CG1 3.98Å; E210-V214 HydrophobicContact CG-CB 4.07Å; E210-V214 HydrophobicContact CG-CG1 4.33Å; E210-V214 HydrophobicContact CG-CG2 4.04Å; D211-V214 HydrophobicContact CB-CG2 4.31Å; D211-V214 WeakPolarHBondContact O-CB 3.12Å; D211-V214 WeakPolarHBondContact O-CG2 3.31Å; D211-V214 PolarHBondContact O-N 3.03Å; L212-V214 PolarHBondContact O-N 2.84Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 2.73Å; V214-V217 WeakPolarHBondContact O-CB 3.06Å; V214-V217 PolarHBondContact O-N 3.26Å; V214-L355 HydrophobicContact CG2-CD2 4.38Å; V214-V358 HydrophobicContact CG1-CG1 4.15Å
215	A	93.4	Very high	92.4	Very high	65 Å²	65	65.1 Å²	65.1	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-37.1	178.6	0	0	0	0	0	111.8	L212 V217 S218	L212-A215 PolarHBondContact O-N 2.79Å; A215-V217 PolarHBondContact O-N 2.83Å; A215-S218 PolarHBondContact O-N 2.85Å
216	E	93.2	Very high	92.8	Very high	61 Å²	61	63.7 Å²	63.7	29%	0.285	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-25.5	177.2	-65.3	-175.4	-157.1	0	0	113.2	S81 R213 V214 S218 E219 W222	S81-E216 PolarHBondContact OG-OE2 2.85Å; R213-E216 PolarHBondContact O-N 3.18Å; V214-E216 VanDerWaalsContact C-N 3.3Å; V214-E216 PolarHBondContact O-N 2.73Å; E216-S218 PolarHBondContact O-N 2.98Å; E216-E219 WeakPolarHBondContact O-CB 3.38Å; E216-E219 PolarHBondContact O-N 3.21Å; E216-W222 WeakPolarHBondContact O-CB 3.48Å; E216-W222 VanDerWaalsContact O-CD1 3.23Å
217	V	94.1	Very high	92.9	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.03	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-30.2	-178	-179.4	0	0	0	0	112.2	V214 A215 E219 W222 L355 V358 C359	V214-V217 WeakPolarHBondContact O-CB 3.06Å; V214-V217 PolarHBondContact O-N 3.26Å; A215-V217 PolarHBondContact O-N 2.83Å; V217-E219 PolarHBondContact O-N 3.22Å; V217-W222 HydrophobicContact CB-CD2 4.44Å; V217-W222 HydrophobicContact CG1-CD2 4.31Å; V217-W222 HydrophobicContact CG1-CE3 4.12Å; V217-W222 HydrophobicContact CG1-CH2 4.5Å; V217-W222 HydrophobicContact CG1-CZ3 4.22Å; V217-W222 HydrophobicContact CG2-CD2 4.41Å; V217-W222 HydrophobicContact CG2-CZ2 3.99Å; V217-L355 HydrophobicContact CG2-CB 4.06Å; V217-L355 HydrophobicContact CG2-CD2 4.13Å; V217-V358 HydrophobicContact CB-CB 4.47Å; V217-V358 HydrophobicContact CB-CG1 4.28Å; V217-V358 HydrophobicContact CG1-CB 4.06Å; V217-V358 HydrophobicContact CG1-CG1 4.13Å; V217-V358 HydrophobicContact CG2-CB 4.38Å; V217-C359 HydrophobicContact CG1-CB 3.57Å
218	S	87.9	Confident	93.1	Very high	73 Å²	73	64.6 Å²	64.6	51%	0.51	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.3	-178.9	-60.6	0	0	0	0	113.6	A215 E216 Q362	A215-S218 PolarHBondContact O-N 2.85Å; E216-S218 PolarHBondContact O-N 2.98Å; S218-Q362 VanDerWaalsContact OG-CD 3.27Å; S218-Q362 PolarHBondContact OG-NE2 3.19Å; S218-Q362 PolarHBondContact OG-OE1 2.82Å
219	E	91.3	Very high	93.2	Very high	99 Å²	99	62 Å²	62	46%	0.463	35%	0.347	S	S	.	.	S	Bend	trans	-76.1	135.6	175.7	-64.4	-63.6	145.7	0	0	111.2	E216 V217 W221 W222	E216-E219 WeakPolarHBondContact O-CB 3.38Å; E216-E219 PolarHBondContact O-N 3.21Å; V217-E219 PolarHBondContact O-N 3.22Å; E219-W221 HydrophobicContact CB-CD2 4.34Å; E219-W221 HydrophobicContact CB-CG 4.42Å; E219-W221 HydrophobicContact CB-CZ2 4.1Å; E219-W221 HydrophobicContact CG-CZ2 4.23Å; E219-W221 PolarHBondContact O-N 3.08Å; E219-W221 VanDerWaalsContact O-N 3.12Å; E219-W222 VanDerWaalsContact O-CB 3.24Å; E219-W222 WeakPolarHBondContact O-CB 3.48Å; E219-W222 PolarHBondContact O-N 3.49Å
220	S	84.9	Confident	93.3	Very high	116 Å²	116	57.3 Å²	57.3	81%	0.811	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.8	-174.6	60.4	0	0	0	0	114.1	W222	S220-W222 VanDerWaalsContact C-N 3.34Å
221	W	88.9	Confident	93.4	Very high	94 Å²	94	55.4 Å²	55.4	36%	0.356	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-19.5	178.3	59.5	-97.5	0	0	0	113	C109 E219 H223 S224 M225	C109-W221 HydrophobicContact CB-CH2 4.37Å; C109-W221 HydrophobicContact CB-CZ3 4.12Å; C109-W221 VanDerWaalsContact SG-CZ3 3.57Å; E219-W221 HydrophobicContact CB-CD2 4.34Å; E219-W221 HydrophobicContact CB-CG 4.42Å; E219-W221 HydrophobicContact CB-CZ2 4.1Å; E219-W221 HydrophobicContact CG-CZ2 4.23Å; E219-W221 PolarHBondContact O-N 3.08Å; E219-W221 VanDerWaalsContact O-N 3.12Å; W221-H223 PolarHBondContact O-N 2.84Å; W221-S224 WeakPolarHBondContact O-CB 3.28Å; W221-S224 PolarHBondContact O-N 2.89Å; W221-S224 VanDerWaalsContact O-N 3.13Å; W221-S224 PolarHBondContact O-OG 2.95Å; W221-M225 HydrophobicContact CE3-CG 4.05Å; W221-M225 HydrophobicContact CZ3-CG 4.43Å; W221-M225 PolarHBondContact O-N 2.84Å
222	W	93.7	Very high	93.5	Very high	2 Å²	2	53 Å²	53	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-45.2	-172.1	-172.5	97.5	0	0	0	112	E216 V217 E219 S220 S224 M225 L226 L355 V356 C359	E216-W222 WeakPolarHBondContact O-CB 3.48Å; E216-W222 VanDerWaalsContact O-CD1 3.23Å; V217-W222 HydrophobicContact CB-CD2 4.44Å; V217-W222 HydrophobicContact CG1-CD2 4.31Å; V217-W222 HydrophobicContact CG1-CE3 4.12Å; V217-W222 HydrophobicContact CG1-CH2 4.5Å; V217-W222 HydrophobicContact CG1-CZ3 4.22Å; V217-W222 HydrophobicContact CG2-CD2 4.41Å; V217-W222 HydrophobicContact CG2-CZ2 3.99Å; E219-W222 VanDerWaalsContact O-CB 3.24Å; E219-W222 WeakPolarHBondContact O-CB 3.48Å; E219-W222 PolarHBondContact O-N 3.49Å; S220-W222 VanDerWaalsContact C-N 3.34Å; W222-S224 VanDerWaalsContact C-N 3.27Å; W222-S224 PolarHBondContact O-N 3.43Å; W222-M225 PolarHBondContact O-N 3.17Å; W222-L226 HydrophobicContact CH2-CD1 4.24Å; W222-L226 HydrophobicContact CZ3-CD1 3.93Å; W222-L226 HydrophobicContact CZ3-CG 4.45Å; W222-L226 PolarHBondContact O-N 2.73Å; W222-L355 HydrophobicContact CH2-CB 4.19Å; W222-L355 HydrophobicContact CZ2-CB 3.81Å; W222-V356 HydrophobicContact CH2-CB 4.23Å; W222-C359 HydrophobicContact CZ3-CB 4.12Å
223	H	89.4	Confident	93.6	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-39	177.3	-179.3	-111	0	0	0	112.1	W221 M225 L226	W221-H223 PolarHBondContact O-N 2.84Å; H223-M225 PolarHBondContact O-N 3.19Å; H223-L226 VanDerWaalsContact O-CB 3.24Å; H223-L226 WeakPolarHBondContact O-CB 3.45Å; H223-L226 PolarHBondContact O-N 3.02Å; H223-L226 VanDerWaalsContact O-N 3.17Å
224	S	89.8	Confident	93.5	Very high	86 Å²	86	50.4 Å²	50.4	60%	0.601	28%	0.282	S	S	*	.	H	α-helix	trans	-67.6	-19.2	179.3	78.6	0	0	0	0	114	W221 W222	W221-S224 WeakPolarHBondContact O-CB 3.28Å; W221-S224 PolarHBondContact O-N 2.89Å; W221-S224 VanDerWaalsContact O-N 3.13Å; W221-S224 PolarHBondContact O-OG 2.95Å; W222-S224 VanDerWaalsContact C-N 3.27Å; W222-S224 PolarHBondContact O-N 3.43Å
225	M	93.8	Very high	93.5	Very high	22 Å²	22	50.7 Å²	50.7	11%	0.108	28%	0.284	C	S	.	.	H	α-helix	trans	-90.4	-10.1	178.6	-72.3	-66.3	-74.5	0	0	113	K77 G79 C80 H106 W221 W222 H223	K77-M225 HydrophobicContact CG-CE 3.63Å; G79-M225 VanDerWaalsContact C-CE 3.48Å; C80-M225 HydrophobicContact CB-CE 4.12Å; H106-M225 PolarHBondContact NE2-O 2.57Å; H106-M225 VanDerWaalsContact NE2-O 3.14Å; W221-M225 HydrophobicContact CE3-CG 4.05Å; W221-M225 HydrophobicContact CZ3-CG 4.43Å; W221-M225 PolarHBondContact O-N 2.84Å; W222-M225 PolarHBondContact O-N 3.17Å; H223-M225 PolarHBondContact O-N 3.19Å
226	L	94.9	Very high	93.5	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.183	26%	0.262	C	S	.	.			trans	-67.4	132.6	177.1	-144.6	179.4	0	0	0	110.2	W222 H223 L228 V356	W222-L226 HydrophobicContact CH2-CD1 4.24Å; W222-L226 HydrophobicContact CZ3-CD1 3.93Å; W222-L226 HydrophobicContact CZ3-CG 4.45Å; W222-L226 PolarHBondContact O-N 2.73Å; H223-L226 VanDerWaalsContact O-CB 3.24Å; H223-L226 WeakPolarHBondContact O-CB 3.45Å; H223-L226 PolarHBondContact O-N 3.02Å; H223-L226 VanDerWaalsContact O-N 3.17Å; L226-L228 WeakPolarHBondContact CD2-O 3.48Å; L226-V356 HydrophobicContact CD1-CB 3.93Å; L226-V356 HydrophobicContact CD1-CG2 3.43Å; L226-V356 VanDerWaalsContact CD1-CG2 3.43Å
227	I	95.6	Very high	93.7	Very high	57 Å²	57	45.2 Å²	45.2	29%	0.292	25%	0.249	S	C	.	.	S	Bend	trans	-80.2	-35.5	-177.5	-62.6	-62.5	0	0	0	113.5	K77 H106 L107 K150	K77-I227 HydrophobicContact CD-CD1 4.19Å; H106-I227 WeakPolarHBondContact O-CG1 3.23Å; L107-I227 PolarHBondContact O-N 3.21Å; K150-I227 HydrophobicContact CD-CG2 3.96Å
228	L	95.9	Very high	93.6	Very high	57 Å²	57	45.7 Å²	45.7	30%	0.298	26%	0.255	S	S	.	.	S	Bend	trans	-134.2	132.6	-176.7	-64	174	0	0	0	110.5	K150 A151 L226	K150-L228 HydrophobicContact CB-CD1 4.13Å; A151-L228 HydrophobicContact CB-CD1 3.72Å; A151-L228 VanDerWaalsContact N-CD1 3.34Å; L226-L228 WeakPolarHBondContact CD2-O 3.48Å
229	P	96.4	Very high	93.7	Very high	42 Å²	42	44.3 Å²	44.3	27%	0.273	25%	0.247	S	C	.	.			trans	-59.7	154.7	178.5	25.7	-34.3	0	0	0	112.1	T320	P229-T320 VanDerWaalsContact CB-CB 3.48Å; P229-T320 HydrophobicContact CB-CG2 3.65Å; P229-T320 HydrophobicContact CG-CG2 3.9Å
230	P	97.4	Very high	93.8	Very high	4 Å²	4	40 Å²	40	3%	0.026	23%	0.227	C	C	.	.			trans	-66.6	136.8	176.2	26.8	-31.7	0	0	0	110.9	M321 V352 V356	P230-M321 HydrophobicContact CG-CB 3.64Å; P230-M321 HydrophobicContact CG-CG 3.7Å; P230-M321 HydrophobicContact CG-SD 4.05Å; P230-V352 HydrophobicContact CB-CG2 4.15Å; P230-V356 HydrophobicContact CB-CG1 4.08Å; P230-V356 HydrophobicContact CB-CG2 3.68Å; P230-V356 HydrophobicContact CG-CG2 3.81Å
231	L	98.3	Very high	94.3	Very high	27 Å²	27	34.6 Å²	34.6	14%	0.141	19%	0.189	C	C	.	.			trans	-119.5	113.1	173.3	-63.6	-179.9	0	0	0	109.1	W139 D247 T320	W139-L231 HydrophobicContact CH2-CD1 3.59Å; W139-L231 HydrophobicContact CZ2-CD1 3.95Å; L231-D247 HydrophobicContact CD1-CB 4.08Å; L231-D247 HydrophobicContact CD2-CB 4.29Å; L231-T320 HydrophobicContact CD2-CG2 4.1Å
232	L	98.2	Very high	94.4	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-72.1	137.8	-175.7	-56.7	-174.4	0	0	0	110.9	G250 M251 S252 A324 L328 I350 V352	L232-G250 PolarHBondContact N-O 2.78Å; L232-M251 CarbonylContact O-C 3.41Å; L232-M251 VanDerWaalsContact O-CA 3.3Å; L232-M251 WeakPolarHBondContact O-CA 3.43Å; L232-S252 PolarHBondContact O-N 3.46Å; L232-A324 HydrophobicContact CD1-CB 3.78Å; L232-A324 HydrophobicContact CG-CB 3.92Å; L232-L328 HydrophobicContact CD1-CD1 3.86Å; L232-I350 HydrophobicContact CD2-CG2 3.88Å; L232-V352 HydrophobicContact CD2-CB 4.03Å; L232-V352 HydrophobicContact CD2-CG1 4.11Å
233	K	96.6	Very high	94.4	Very high	27 Å²	27	33 Å²	33	12%	0.117	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-93.3	144.2	169.6	-61.5	179.8	-177.8	-69.1	0	108.9	D155 S235 I351	D155-K233 VanDerWaalsContact CG-NZ 3.3Å; D155-K233 WeakPolarHBondContact O-CE 3.48Å; D155-K233 PolarHBondContact O-NZ 2.87Å; D155-K233 IonicContact OD1-NZ 3.48Å; D155-K233 PolarHBondContact OD1-NZ 2.94Å; D155-K233 IonicContact OD2-NZ 2.79Å; K233-S235 PolarHBondContact O-N 3.27Å; K233-S235 VanDerWaalsContact O-N 3.09Å; K233-I351 HydrophobicContact CB-CB 4.28Å; K233-I351 HydrophobicContact CB-CG2 4.14Å; K233-I351 WeakPolarHBondContact CB-O 3.45Å; K233-I351 PolarHBondContact N-O 2.63Å
234	E	93.1	Very high	94.6	Very high	128 Å²	128	31.9 Å²	31.9	60%	0.598	19%	0.188	S	C	*	.	S	Bend	trans	53.6	33.3	173.9	-57.7	179.3	-176.5	0	0	114
235	S	95.8	Very high	94.9	Very high	11 Å²	11	31.4 Å²	31.4	8%	0.077	17%	0.174	C	C	.	.			trans	-58.5	136.2	178.6	176.6	0	0	0	0	110.5	K233 A237 G238	K233-S235 PolarHBondContact O-N 3.27Å; K233-S235 VanDerWaalsContact O-N 3.09Å; S235-A237 PolarHBondContact O-N 2.92Å; S235-A237 PolarHBondContact OG-N 3.19Å; S235-G238 PolarHBondContact O-N 3.28Å
236	P	94.6	Very high	95.1	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.071	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-25.4	171.9	-27.5	34.6	0	0	0	113.8	G238 L328 A331 K335 H349	P236-G238 VanDerWaalsContact C-N 3.31Å; P236-L328 HydrophobicContact CG-CG 4.26Å; P236-A331 HydrophobicContact CB-CB 4.19Å; P236-K335 HydrophobicContact CB-CD 4.49Å; P236-K335 WeakPolarHBondContact O-CE 3.31Å; P236-K335 PolarHBondContact O-NZ 3.46Å; P236-H349 HydrophobicContact CG-CB 3.85Å
237	A	96.2	Very high	95.1	Very high	1 Å²	1	31 Å²	31	1%	0.008	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.8	177.4	0	0	0	0	0	114	S235 A239 F240 L241 N327 A331	S235-A237 PolarHBondContact O-N 2.92Å; S235-A237 PolarHBondContact OG-N 3.19Å; A237-A239 VanDerWaalsContact C-N 3.26Å; A237-A239 PolarHBondContact O-N 3.17Å; A237-A239 VanDerWaalsContact O-N 3.17Å; A237-F240 WeakPolarHBondContact O-CB 3.49Å; A237-F240 PolarHBondContact O-N 3.44Å; A237-L241 HydrophobicContact CB-CD1 3.92Å; A237-L241 HydrophobicContact CB-CG 4.47Å; A237-L241 WeakPolarHBondContact O-CG 3.5Å; A237-L241 PolarHBondContact O-N 2.79Å; A237-N327 HydrophobicContact CB-CB 4Å; A237-A331 VanDerWaalsContact CA-CB 3.47Å; A237-A331 HydrophobicContact CB-CB 3.8Å
238	G	93.6	Very high	95.2	Very high	15 Å²	15	30.7 Å²	30.7	16%	0.155	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54.7	-39.8	-175.5	0	0	0	0	0	113.7	S235 P236 F240 L241 S242	S235-G238 PolarHBondContact O-N 3.28Å; P236-G238 VanDerWaalsContact C-N 3.31Å; G238-F240 VanDerWaalsContact C-N 3.26Å; G238-F240 PolarHBondContact O-N 3.15Å; G238-L241 PolarHBondContact O-N 2.95Å; G238-S242 PolarHBondContact O-N 3.14Å
239	A	90.4	Very high	95.3	Very high	43 Å²	43	28 Å²	28	36%	0.355	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-66	-25.1	178.1	0	0	0	0	0	113.9	A237 P275 I277	A237-A239 VanDerWaalsContact C-N 3.26Å; A237-A239 PolarHBondContact O-N 3.17Å; A237-A239 VanDerWaalsContact O-N 3.17Å; A239-P275 WeakPolarHBondContact O-CB 3.31Å; A239-I277 HydrophobicContact CB-CD1 3.86Å; A239-I277 HydrophobicContact CB-CG1 4.09Å
240	F	93.3	Very high	95.3	Very high	9 Å²	9	26 Å²	26	4%	0.039	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-87	-22.7	178.1	-64.8	-95.2	0	0	0	112.8	A237 G238 I277 L280 P286 F287 Q289 A331	A237-F240 WeakPolarHBondContact O-CB 3.49Å; A237-F240 PolarHBondContact O-N 3.44Å; G238-F240 VanDerWaalsContact C-N 3.26Å; G238-F240 PolarHBondContact O-N 3.15Å; F240-I277 HydrophobicContact CB-CD1 4.46Å; F240-I277 HydrophobicContact CD1-CD1 3.52Å; F240-I277 HydrophobicContact CD2-CD1 3.66Å; F240-I277 HydrophobicContact CE1-CD1 3.53Å; F240-I277 HydrophobicContact CE2-CD1 3.66Å; F240-I277 HydrophobicContact CG-CD1 3.59Å; F240-I277 HydrophobicContact CZ-CD1 3.6Å; F240-L280 HydrophobicContact CE1-CD2 3.42Å; F240-L280 VanDerWaalsContact CE1-CD2 3.42Å; F240-L280 HydrophobicContact CZ-CD1 4.42Å; F240-L280 HydrophobicContact CZ-CD2 3.48Å; F240-L280 VanDerWaalsContact CZ-CD2 3.48Å; F240-P286 HydrophobicContact CD1-CG 4.5Å; F240-P286 HydrophobicContact CE1-CG 4.39Å; F240-F287 HydrophobicContact CB-CD2 3.61Å; F240-F287 HydrophobicContact CB-CE2 3.86Å; F240-F287 HydrophobicContact CD1-CD2 4.16Å; F240-F287 HydrophobicContact CD1-CE2 4.31Å; F240-F287 HydrophobicContact CD2-CE2 4.38Å; F240-F287 HydrophobicContact CG-CD2 4.01Å; F240-F287 AromaticContact CG-CE2 3.96Å; F240-F287 HydrophobicContact CG-CE2 3.96Å; F240-Q289 PolarHBondContact O-NE2 3.04Å; F240-A331 HydrophobicContact CD2-CB 3.91Å; F240-A331 HydrophobicContact CE2-CB 3.77Å
241	L	95.1	Very high	95.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.152	C	C	.	.			trans	-115.9	21.5	-164.3	-58.9	-178.1	0	0	0	112.8	A237 G238 A243 Y244 V249 M251 F287 P301 N327	A237-L241 HydrophobicContact CB-CD1 3.92Å; A237-L241 HydrophobicContact CB-CG 4.47Å; A237-L241 WeakPolarHBondContact O-CG 3.5Å; A237-L241 PolarHBondContact O-N 2.79Å; G238-L241 PolarHBondContact O-N 2.95Å; L241-A243 PolarHBondContact O-N 3.38Å; L241-A243 VanDerWaalsContact O-N 3.13Å; L241-Y244 HydrophobicContact CD2-CD2 4.27Å; L241-Y244 HydrophobicContact CD2-CE2 4.5Å; L241-Y244 PolarHBondContact O-N 2.96Å; L241-V249 HydrophobicContact CD1-CB 4.16Å; L241-V249 HydrophobicContact CD1-CG2 4.12Å; L241-M251 HydrophobicContact CB-CE 3.83Å; L241-M251 HydrophobicContact CD1-CE 4.09Å; L241-F287 HydrophobicContact CD2-CB 3.83Å; L241-F287 HydrophobicContact CD2-CD1 4.22Å; L241-F287 HydrophobicContact CD2-CD2 3.96Å; L241-F287 HydrophobicContact CD2-CG 3.73Å; L241-P301 HydrophobicContact CD1-CB 3.98Å; L241-P301 HydrophobicContact CD2-CB 3.5Å; L241-P301 HydrophobicContact CD2-CG 3.76Å; L241-P301 HydrophobicContact CG-CB 4.4Å; L241-N327 HydrophobicContact CD1-CB 4.28Å
242	S	91.2	Very high	95.3	Very high	33 Å²	33	25.6 Å²	25.6	23%	0.231	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.2	-179.9	57.9	0	0	0	0	114	G238 Y244	G238-S242 PolarHBondContact O-N 3.14Å; S242-Y244 VanDerWaalsContact C-N 3.3Å
243	A	91.9	Very high	95.3	Very high	29 Å²	29	25.6 Å²	25.6	24%	0.24	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.6	175.1	0	0	0	0	0	113.7	L241 P290	L241-A243 PolarHBondContact O-N 3.38Å; L241-A243 VanDerWaalsContact O-N 3.13Å; A243-P290 HydrophobicContact CB-CG 4.01Å
244	Y	94.8	Very high	95.1	Very high	28 Å²	28	25.8 Å²	25.8	11%	0.11	15%	0.152	C	C	.	.	S	Bend	trans	-106.1	150.8	-179.6	-71.4	-97.5	0	0	0	111.2	L241 S242 P246 V249 Y288 P290 P301	L241-Y244 HydrophobicContact CD2-CD2 4.27Å; L241-Y244 HydrophobicContact CD2-CE2 4.5Å; L241-Y244 PolarHBondContact O-N 2.96Å; S242-Y244 VanDerWaalsContact C-N 3.3Å; Y244-P246 WeakPolarHBondContact O-CD 3.49Å; Y244-V249 HydrophobicContact CD1-CG1 3.95Å; Y244-V249 HydrophobicContact CG-CG1 4Å; Y244-Y288 WeakPolarHBondContact CE2-O 3.35Å; Y244-Y288 PolarHBondContact OH-O 2.96Å; Y244-P290 HydrophobicContact CD2-CG 4.35Å; Y244-P290 HydrophobicContact CE1-CG 4.28Å; Y244-P290 HydrophobicContact CE2-CG 3.93Å; Y244-P301 HydrophobicContact CD1-CG 4.05Å; Y244-P301 HydrophobicContact CD2-CG 4Å; Y244-P301 HydrophobicContact CE1-CG 3.61Å; Y244-P301 HydrophobicContact CE2-CG 3.54Å; Y244-P301 HydrophobicContact CG-CG 4.24Å
245	Y	96.1	Very high	94.4	Very high	76 Å²	76	20.6 Å²	20.6	30%	0.298	13%	0.133	S	C	.	.			trans	-61.9	122.5	163.1	-73.5	-68.1	0	0	0	108.8	N142 K144 D247 C248 M262	N142-Y245 WeakPolarHBondContact O-CD1 3.21Å; K144-Y245 HydrophobicContact CB-CD2 4.32Å; K144-Y245 HydrophobicContact CB-CG 4.14Å; K144-Y245 HydrophobicContact CD-CD2 4.39Å; Y245-D247 VanDerWaalsContact C-N 3.26Å; Y245-D247 PolarHBondContact O-N 2.76Å; Y245-C248 WeakPolarHBondContact O-CB 3.46Å; Y245-C248 PolarHBondContact O-N 3.05Å; Y245-M262 HydrophobicContact CD1-CE 4.4Å; Y245-M262 HydrophobicContact CE1-CE 3.84Å
246	P	97.3	Very high	92.7	Very high	32 Å²	32	24 Å²	24	21%	0.208	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.1	-40.4	-173.3	-29.5	37.7	0	0	0	113.2	N142 Y244 C248 V249 G250 M251	N142-P246 WeakPolarHBondContact O-CD 3.25Å; Y244-P246 WeakPolarHBondContact O-CD 3.49Å; P246-C248 VanDerWaalsContact C-N 3.28Å; P246-C248 PolarHBondContact O-N 2.97Å; P246-V249 CarbonylContact O-C 3.5Å; P246-V249 VanDerWaalsContact O-CG2 3.23Å; P246-V249 WeakPolarHBondContact O-CG2 3.33Å; P246-V249 PolarHBondContact O-N 3.31Å; P246-V249 VanDerWaalsContact O-N 3.09Å; P246-G250 PolarHBondContact O-N 3.37Å; P246-M251 CarbonylContact C-O 3.52Å; P246-M251 HydrophobicContact CB-CB 3.87Å; P246-M251 WeakPolarHBondContact O-CA 3.3Å; P246-M251 WeakPolarHBondContact O-CB 3.32Å; P246-M251 PolarHBondContact O-N 3.43Å; P246-M251 VanDerWaalsContact O-O 3.06Å
247	D	96.2	Very high	90.4	Very high	16 Å²	16	28.3 Å²	28.3	9%	0.086	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.6	-18.3	-178.8	54.6	-17.1	0	0	0	114	G143 K144 S145 L231 Y245 V249 M251 P253	G143-D247 WeakPolarHBondContact CA-OD1 2.87Å; K144-D247 VanDerWaalsContact N-CG 3.34Å; K144-D247 PolarHBondContact N-OD1 3.16Å; K144-D247 PolarHBondContact N-OD2 2.86Å; S145-D247 WeakPolarHBondContact CB-OD2 3.31Å; S145-D247 PolarHBondContact N-OD2 3.22Å; S145-D247 PolarHBondContact OG-OD2 3.21Å; L231-D247 HydrophobicContact CD1-CB 4.08Å; L231-D247 HydrophobicContact CD2-CB 4.29Å; Y245-D247 VanDerWaalsContact C-N 3.26Å; Y245-D247 PolarHBondContact O-N 2.76Å; D247-V249 VanDerWaalsContact C-N 3.31Å; D247-M251 VanDerWaalsContact CA-O 3.31Å; D247-M251 WeakPolarHBondContact CA-O 3.36Å; D247-M251 PolarHBondContact N-O 3.06Å; D247-M251 VanDerWaalsContact N-O 3.16Å; D247-P253 HydrophobicContact CB-CG 3.73Å
248	C	97.1	Very high	87.9	Confident	50 Å²	50	31.4 Å²	31.4	34%	0.338	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-78.2	-16	170.4	-66	0	0	0	0	113.3	Y245 P246	Y245-C248 WeakPolarHBondContact O-CB 3.46Å; Y245-C248 PolarHBondContact O-N 3.05Å; P246-C248 VanDerWaalsContact C-N 3.28Å; P246-C248 PolarHBondContact O-N 2.97Å
249	V	97.6	Very high	85.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-118.2	20	-179.7	-63.8	0	0	0	0	112	L241 Y244 P246 D247 M251 P301 D302	L241-V249 HydrophobicContact CD1-CB 4.16Å; L241-V249 HydrophobicContact CD1-CG2 4.12Å; Y244-V249 HydrophobicContact CD1-CG1 3.95Å; Y244-V249 HydrophobicContact CG-CG1 4Å; P246-V249 CarbonylContact O-C 3.5Å; P246-V249 VanDerWaalsContact O-CG2 3.23Å; P246-V249 WeakPolarHBondContact O-CG2 3.33Å; P246-V249 PolarHBondContact O-N 3.31Å; P246-V249 VanDerWaalsContact O-N 3.09Å; D247-V249 VanDerWaalsContact C-N 3.31Å; V249-M251 HydrophobicContact CG2-CE 3.42Å; V249-M251 VanDerWaalsContact CG2-CE 3.42Å; V249-M251 HydrophobicContact CG2-CG 4.42Å; V249-P301 HydrophobicContact CG1-CB 3.9Å; V249-P301 HydrophobicContact CG1-CG 4.16Å; V249-D302 HydrophobicContact CG1-CB 4.06Å
250	G	97.7	Very high	82.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	25.6	174.3	0	0	0	0	0	115	L232 P246 A324	L232-G250 PolarHBondContact N-O 2.78Å; P246-G250 PolarHBondContact O-N 3.37Å; G250-A324 WeakPolarHBondContact O-CB 3.21Å
251	M	98.2	Very high	80.3	Confident	17 Å²	17	41.9 Å²	41.9	8%	0.084	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-116.5	152.5	177.4	-62.1	-170	-69.8	0	0	111.7	L232 L241 P246 D247 V249 P253	L232-M251 CarbonylContact O-C 3.41Å; L232-M251 VanDerWaalsContact O-CA 3.3Å; L232-M251 WeakPolarHBondContact O-CA 3.43Å; L241-M251 HydrophobicContact CB-CE 3.83Å; L241-M251 HydrophobicContact CD1-CE 4.09Å; P246-M251 CarbonylContact C-O 3.52Å; P246-M251 HydrophobicContact CB-CB 3.87Å; P246-M251 WeakPolarHBondContact O-CA 3.3Å; P246-M251 WeakPolarHBondContact O-CB 3.32Å; P246-M251 PolarHBondContact O-N 3.43Å; P246-M251 VanDerWaalsContact O-O 3.06Å; D247-M251 VanDerWaalsContact CA-O 3.31Å; D247-M251 WeakPolarHBondContact CA-O 3.36Å; D247-M251 PolarHBondContact N-O 3.06Å; D247-M251 VanDerWaalsContact N-O 3.16Å; V249-M251 HydrophobicContact CG2-CE 3.42Å; V249-M251 VanDerWaalsContact CG2-CE 3.42Å; V249-M251 HydrophobicContact CG2-CG 4.42Å; M251-P253 WeakPolarHBondContact O-CD 3.46Å
252	S	97.7	Very high	77.9	Confident	7 Å²	7	44.5 Å²	44.5	5%	0.049	27%	0.272	C	S	.	.			trans	-76.8	126.3	-179.4	175.8	0	0	0	0	111.9	D155 L232 S254 G255	D155-S252 WeakPolarHBondContact OD1-CB 3.37Å; D155-S252 PolarHBondContact OD1-OG 2.88Å; L232-S252 PolarHBondContact O-N 3.46Å; S252-S254 PolarHBondContact O-N 2.85Å; S252-S254 PolarHBondContact OG-N 2.95Å; S252-S254 PolarHBondContact OG-OG 3.31Å; S252-G255 PolarHBondContact O-N 2.82Å
253	P	96.3	Very high	75.6	Confident	3 Å²	3	48 Å²	48	2%	0.019	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.1	173.1	-26.6	35.8	0	0	0	115.1	W139 N142 D247 M251	W139-P253 HydrophobicContact CD2-CB 4.05Å; W139-P253 HydrophobicContact CD2-CG 3.95Å; W139-P253 HydrophobicContact CE3-CB 4.01Å; W139-P253 HydrophobicContact CE3-CG 4.05Å; W139-P253 HydrophobicContact CG-CB 4.42Å; W139-P253 HydrophobicContact CH2-CG 4.23Å; W139-P253 HydrophobicContact CZ2-CG 4.06Å; W139-P253 HydrophobicContact CZ3-CG 4.2Å; N142-P253 HydrophobicContact CB-CB 3.99Å; N142-P253 WeakPolarHBondContact CB-O 3.24Å; N142-P253 PolarHBondContact ND2-O 3.27Å; D247-P253 HydrophobicContact CB-CG 3.73Å; M251-P253 WeakPolarHBondContact O-CD 3.46Å
254	S	92.5	Very high	73.2	Confident	30 Å²	30	53.4 Å²	53.4	21%	0.21	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.9	176.3	76.5	0	0	0	0	113	D155 Q156 S252	D155-S254 PolarHBondContact OD1-OG 2.88Å; D155-S254 PolarHBondContact OD2-OG 2.98Å; Q156-S254 PolarHBondContact NE2-OG 2.6Å; Q156-S254 VanDerWaalsContact NE2-OG 3.13Å; S252-S254 PolarHBondContact O-N 2.85Å; S252-S254 PolarHBondContact OG-N 2.95Å; S252-S254 PolarHBondContact OG-OG 3.31Å
255	G	79	Confident	70.8	Confident	19 Å²	19	56.3 Å²	56.3	20%	0.196	33%	0.329	C	S	.	.	S	Bend	trans	-63.9	165.3	171.3	0	0	0	0	0	111.7	S252	S252-G255 PolarHBondContact O-N 2.82Å
256	S	60.8	Low	68.2	Low	83 Å²	83	61.8 Å²	61.8	58%	0.58	35%	0.349	S	S	*	.	S	Bend	trans	-42.9	129.9	-176.1	-68.4	0	0	0	0	112.2	C258	S256-C258 PolarHBondContact O-N 2.99Å
257	P	46.3	Very low	65.3	Low	102 Å²	102	63.8 Å²	63.8	66%	0.662	37%	0.369	S	S	*	.			trans	-63.3	123	-173	24.1	-31.8	0	0	0	109.6	N259	P257-N259 PolarHBondContact O-N 2.85Å
258	C	43.5	Very low	62.2	Low	65 Å²	65	69.9 Å²	69.9	44%	0.439	40%	0.397	S	S	.	.			trans	-59.7	123.4	152	-77.8	0	0	0	0	106.2	S256 V260	S256-C258 PolarHBondContact O-N 2.99Å; C258-V260 PolarHBondContact O-N 3.3Å
259	N	37.3	Very low	59.2	Low	164 Å²	164	73.6 Å²	73.6	88%	0.877	42%	0.42	S	S	*	.	S	Bend	trans	-64.7	22.1	-178.8	-83.9	-17.8	0	0	0	114.5	P257	P257-N259 PolarHBondContact O-N 2.85Å
260	V	42	Very low	56.2	Low	69 Å²	69	79.1 Å²	79.1	42%	0.418	46%	0.457	S	S	.	.			trans	-109.7	115	-177.8	-171	0	0	0	0	108.4	C258 M262 L265	C258-V260 PolarHBondContact O-N 3.3Å; V260-M262 PolarHBondContact O-N 3.02Å; V260-L265 HydrophobicContact CG1-CD1 4.23Å; V260-L265 HydrophobicContact CG1-CG 4.44Å
261	S	38.4	Very low	53.3	Low	55 Å²	55	89.2 Å²	89.2	39%	0.385	50%	0.495	S	S	.	.			trans	-64.7	119	171.9	175.4	0	0	0	0	108.9	T263 E264	S261-T263 PolarHBondContact O-N 3.46Å; S261-T263 WeakPolarHBondContact OG-CB 3.41Å; S261-T263 PolarHBondContact OG-N 2.98Å; S261-T263 PolarHBondContact OG-OG1 2.79Å; S261-E264 PolarHBondContact O-N 3.27Å
262	M	44.7	Very low	50.8	Low	56 Å²	56	91.7 Å²	91.7	28%	0.276	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-15.6	171.9	-80.8	-71.1	-79.6	0	0	113.3	Y245 V260 L265	Y245-M262 HydrophobicContact CD1-CE 4.4Å; Y245-M262 HydrophobicContact CE1-CE 3.84Å; V260-M262 PolarHBondContact O-N 3.02Å; M262-L265 HydrophobicContact SD-CD1 4.19Å
263	T	41.5	Very low	48.7	Very low	108 Å²	108	97.3 Å²	97.3	66%	0.663	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-29.2	175.4	-27.2	0	0	0	0	112.5	S261	S261-T263 PolarHBondContact O-N 3.46Å; S261-T263 WeakPolarHBondContact OG-CB 3.41Å; S261-T263 PolarHBondContact OG-N 2.98Å; S261-T263 PolarHBondContact OG-OG1 2.79Å
264	E	41.5	Very low	47.1	Very low	141 Å²	141	100 Å²	100	66%	0.659	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-33.3	-179.8	-69.8	175.3	169.4	0	0	112.1	S261 R266 A267	S261-E264 PolarHBondContact O-N 3.27Å; E264-R266 PolarHBondContact O-N 2.98Å; E264-A267 PolarHBondContact O-N 3.23Å
265	L	44.8	Very low	45.7	Very low	89 Å²	89	100.6 Å²	100.6	47%	0.466	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-17.8	176.4	-75.3	164.3	0	0	0	113.7	V260 M262	V260-L265 HydrophobicContact CG1-CD1 4.23Å; V260-L265 HydrophobicContact CG1-CG 4.44Å; M262-L265 HydrophobicContact SD-CD1 4.19Å
266	R	42.8	Very low	45.2	Very low	191 Å²	191	108.8 Å²	108.8	72%	0.721	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-10.3	176.9	-72.6	-176.3	177.2	-178.1	0.2	113.7	E264	E264-R266 PolarHBondContact O-N 2.98Å
267	A	36	Very low	46.3	Very low	74 Å²	74	106.4 Å²	106.4	61%	0.612	58%	0.581	S	S	*	*	S	Bend	trans	-92.1	-14.2	-169	0	0	0	0	0	115	E264	E264-A267 PolarHBondContact O-N 3.23Å
268	E	31.3	Very low	47.9	Very low	145 Å²	145	107.6 Å²	107.6	68%	0.678	59%	0.589	S	S	*	*			trans	-137.4	99.9	-175.9	-78.1	-97.3	149.6	0	0	110.9	C270	E268-C270 VanDerWaalsContact C-N 3.25Å; E268-C270 PolarHBondContact O-N 3.41Å
269	P	34.1	Very low	49.8	Very low	128 Å²	128	108.9 Å²	108.9	83%	0.831	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	1.1	-176.1	-16.8	30.8	0	0	0	116.2
270	C	33.6	Very low	52.4	Low	115 Å²	115	102.7 Å²	102.7	78%	0.777	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.1	9.7	-161.4	-75.2	0	0	0	0	117.8	E268	E268-C270 VanDerWaalsContact C-N 3.25Å; E268-C270 PolarHBondContact O-N 3.41Å
271	R	38	Very low	54.8	Low	212 Å²	212	100.3 Å²	100.3	80%	0.8	57%	0.567	S	S	*	*			trans	-139.4	105	167.1	-74.2	-175.3	175.5	175.6	-2	109.8	V273	R271-V273 VanDerWaalsContact C-N 3.3Å; R271-V273 PolarHBondContact O-N 3.38Å
272	A	45.2	Very low	57.4	Low	69 Å²	69	102.3 Å²	102.3	57%	0.57	58%	0.578	S	S	*	*			trans	-62.5	93.3	169.7	0	0	0	0	0	108.7	Q274	A272-Q274 PolarHBondContact O-N 3.05Å
273	V	53.5	Low	59.9	Low	125 Å²	125	101.5 Å²	101.5	76%	0.758	57%	0.572	S	S	*	*			trans	-73.5	98.4	174.4	-178.4	0	0	0	0	106.8	R271	R271-V273 VanDerWaalsContact C-N 3.3Å; R271-V273 PolarHBondContact O-N 3.38Å
274	Q	62.8	Low	62.6	Low	61 Å²	61	96.9 Å²	96.9	29%	0.285	54%	0.543	S	S	.	.			trans	-64.6	139.6	173.7	-70.7	-178.2	-8	0	0	110.1	A272 Q276 Q285 Q289 E292	A272-Q274 PolarHBondContact O-N 3.05Å; Q274-Q276 PolarHBondContact O-N 2.94Å; Q274-Q276 VanDerWaalsContact O-N 3.07Å; Q274-Q285 VanDerWaalsContact CD-OE1 3.22Å; Q274-Q289 HydrophobicContact CG-CG 4.5Å; Q274-E292 PolarHBondContact NE2-OE1 3.15Å
275	P	63.7	Low	65.2	Low	42 Å²	42	91.7 Å²	91.7	27%	0.273	52%	0.519	S	S	.	.			trans	-65.3	114.1	179.5	23	-29.2	0	0	0	109.9	A239 I277	A239-P275 WeakPolarHBondContact O-CB 3.31Å; P275-I277 PolarHBondContact O-N 3.43Å; P275-I277 VanDerWaalsContact O-N 3.14Å
276	Q	68.2	Low	67.7	Low	191 Å²	191	87.7 Å²	87.7	89%	0.893	50%	0.498	S	S	*	.			trans	-73.5	102.5	169.1	-70.7	-169.3	-6.6	0	0	108.6	Q274 P278	Q274-Q276 PolarHBondContact O-N 2.94Å; Q274-Q276 VanDerWaalsContact O-N 3.07Å; Q276-P278 WeakPolarHBondContact O-CD 3.48Å
277	I	82.3	Confident	70.3	Confident	32 Å²	32	78.8 Å²	78.8	16%	0.164	47%	0.465	C	S	.	.			trans	-87.1	115.9	178.6	-59.7	174	0	0	0	108.2	A239 F240 P275 G279 L280	A239-I277 HydrophobicContact CB-CD1 3.86Å; A239-I277 HydrophobicContact CB-CG1 4.09Å; F240-I277 HydrophobicContact CB-CD1 4.46Å; F240-I277 HydrophobicContact CD1-CD1 3.52Å; F240-I277 HydrophobicContact CD2-CD1 3.66Å; F240-I277 HydrophobicContact CE1-CD1 3.53Å; F240-I277 HydrophobicContact CE2-CD1 3.66Å; F240-I277 HydrophobicContact CG-CD1 3.59Å; F240-I277 HydrophobicContact CZ-CD1 3.6Å; P275-I277 PolarHBondContact O-N 3.43Å; P275-I277 VanDerWaalsContact O-N 3.14Å; I277-G279 PolarHBondContact O-N 2.69Å; I277-L280 HydrophobicContact CB-CB 3.99Å; I277-L280 HydrophobicContact CB-CD2 4.12Å; I277-L280 HydrophobicContact CD1-CD2 4.02Å; I277-L280 HydrophobicContact CG2-CB 4.11Å; I277-L280 WeakPolarHBondContact O-CB 3.32Å; I277-L280 PolarHBondContact O-N 3.36Å; I277-L280 VanDerWaalsContact O-N 3.13Å
278	P	81.4	Confident	73.2	Confident	127 Å²	127	77.3 Å²	77.3	83%	0.825	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	131.6	-178.2	-25.9	35.1	0	0	0	112.2	Q276 L280	Q276-P278 WeakPolarHBondContact O-CD 3.48Å; P278-L280 VanDerWaalsContact C-N 3.26Å; P278-L280 PolarHBondContact O-N 2.91Å
279	G	83.1	Confident	76.2	Confident	93 Å²	93	71.4 Å²	71.4	96%	0.959	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	0.4	178.7	0	0	0	0	0	115.5	I277	I277-G279 PolarHBondContact O-N 2.69Å
280	L	91.6	Very high	78.9	Confident	33 Å²	33	68 Å²	68	17%	0.173	39%	0.394	C	S	.	.	S	Bend	trans	-90.4	143.4	172.8	-168	72.6	0	0	0	110.7	F240 I277 P278 F284 H334	F240-L280 HydrophobicContact CE1-CD2 3.42Å; F240-L280 VanDerWaalsContact CE1-CD2 3.42Å; F240-L280 HydrophobicContact CZ-CD1 4.42Å; F240-L280 HydrophobicContact CZ-CD2 3.48Å; F240-L280 VanDerWaalsContact CZ-CD2 3.48Å; I277-L280 HydrophobicContact CB-CB 3.99Å; I277-L280 HydrophobicContact CB-CD2 4.12Å; I277-L280 HydrophobicContact CD1-CD2 4.02Å; I277-L280 HydrophobicContact CG2-CB 4.11Å; I277-L280 WeakPolarHBondContact O-CB 3.32Å; I277-L280 PolarHBondContact O-N 3.36Å; I277-L280 VanDerWaalsContact O-N 3.13Å; P278-L280 VanDerWaalsContact C-N 3.26Å; P278-L280 PolarHBondContact O-N 2.91Å; L280-F284 HydrophobicContact CD1-CD2 4.11Å; L280-F284 HydrophobicContact CD2-CB 4.29Å; L280-F284 HydrophobicContact CG-CB 4.33Å; L280-F284 HydrophobicContact CG-CD2 4.47Å; L280-H334 HydrophobicContact CD1-CB 4.43Å; L280-H334 WeakPolarHBondContact CD1-O 3.35Å
281	C	93	Very high	81.6	Confident	20 Å²	20	71 Å²	71	14%	0.135	40%	0.402	C	S	.	.			trans	-58.2	127.8	170.1	-177	0	0	0	0	110.1	Y283 F284 E464	C281-Y283 PolarHBondContact O-N 3.23Å; C281-Y283 VanDerWaalsContact O-N 3.11Å; C281-F284 HydrophobicContact CB-CD1 4.34Å; C281-F284 HydrophobicContact CB-CD2 3.7Å; C281-F284 HydrophobicContact CB-CE1 4.39Å; C281-F284 HydrophobicContact CB-CE2 3.76Å; C281-F284 HydrophobicContact CB-CG 3.99Å; C281-F284 HydrophobicContact CB-CZ 4.11Å; C281-F284 PolarHBondContact O-N 3.06Å; C281-E464 HydrophobicContact CB-CG 4.36Å
282	P	93.4	Very high	84.1	Confident	97 Å²	97	63.1 Å²	63.1	63%	0.63	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.2	-175.7	26.4	-35.7	0	0	0	113.5	F284 Q285	P282-F284 VanDerWaalsContact C-N 3.3Å; P282-Q285 PolarHBondContact O-NE2 3.48Å
283	Y	96.5	Very high	86.2	Confident	38 Å²	38	65 Å²	65	15%	0.149	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.8	175.8	-60.8	-42.9	0	0	0	113.5	C281 Q285 C454 V455 N456 A460 M470 D583	C281-Y283 PolarHBondContact O-N 3.23Å; C281-Y283 VanDerWaalsContact O-N 3.11Å; Y283-Q285 PolarHBondContact O-N 3.17Å; Y283-C454 WeakPolarHBondContact CB-O 3.39Å; Y283-C454 HydrophobicContact CD1-CB 3.53Å; Y283-C454 HydrophobicContact CD2-CB 3.87Å; Y283-C454 HydrophobicContact CE1-CB 3.49Å; Y283-C454 VanDerWaalsContact CE1-CB 3.49Å; Y283-C454 HydrophobicContact CE2-CB 3.81Å; Y283-C454 HydrophobicContact CG-CB 3.75Å; Y283-V455 HydrophobicContact CD1-CG2 4.27Å; Y283-N456 PolarHBondContact O-N 3.44Å; Y283-N456 PolarHBondContact O-OD1 3.16Å; Y283-A460 HydrophobicContact CD2-CB 3.99Å; Y283-A460 HydrophobicContact CG-CB 4.34Å; Y283-M470 HydrophobicContact CD2-CE 3.97Å; Y283-M470 HydrophobicContact CE2-CE 3.59Å; Y283-D583 HydrophobicContact CE1-CB 4.22Å; Y283-D583 VanDerWaalsContact CE1-OD2 3.31Å; Y283-D583 WeakPolarHBondContact CE1-OD2 3.47Å; Y283-D583 PolarHBondContact OH-OD2 3.46Å
284	F	97.1	Very high	88	Confident	12 Å²	12	61.5 Å²	61.5	5%	0.053	37%	0.372	C	S	.	.			trans	-90.2	97.8	179.1	-65.2	-13.5	0	0	0	111.5	L280 C281 P282 H334 L461 E464	L280-F284 HydrophobicContact CD1-CD2 4.11Å; L280-F284 HydrophobicContact CD2-CB 4.29Å; L280-F284 HydrophobicContact CG-CB 4.33Å; L280-F284 HydrophobicContact CG-CD2 4.47Å; C281-F284 HydrophobicContact CB-CD1 4.34Å; C281-F284 HydrophobicContact CB-CD2 3.7Å; C281-F284 HydrophobicContact CB-CE1 4.39Å; C281-F284 HydrophobicContact CB-CE2 3.76Å; C281-F284 HydrophobicContact CB-CG 3.99Å; C281-F284 HydrophobicContact CB-CZ 4.11Å; C281-F284 PolarHBondContact O-N 3.06Å; P282-F284 VanDerWaalsContact C-N 3.3Å; F284-H334 HydrophobicContact CB-CB 4.25Å; F284-H334 AromaticContact CD1-CD2 4Å; F284-H334 HydrophobicContact CD2-CB 4.07Å; F284-H334 AromaticContact CD2-CD2 3.95Å; F284-H334 WeakPolarHBondContact CD2-O 3.42Å; F284-H334 HydrophobicContact CG-CB 4.4Å; F284-H334 AromaticContact CG-CD2 3.62Å; F284-L461 HydrophobicContact CE1-CB 4.14Å; F284-L461 HydrophobicContact CE1-CD1 4.09Å; F284-L461 HydrophobicContact CZ-CB 4.45Å; F284-L461 HydrophobicContact CZ-CD1 3.71Å; F284-E464 HydrophobicContact CE2-CB 4.41Å; F284-E464 HydrophobicContact CE2-CG 3.96Å; F284-E464 HydrophobicContact CZ-CB 3.79Å; F284-E464 HydrophobicContact CZ-CG 3.84Å
285	Q	96.6	Very high	89.5	Confident	31 Å²	31	59 Å²	59	15%	0.145	36%	0.36	C	S	.	.			trans	-132	63.6	-177.8	-56	173.7	14.4	0	0	110.2	Q274 P282 Y283 F287 C298 V455 N456	Q274-Q285 VanDerWaalsContact CD-OE1 3.22Å; P282-Q285 PolarHBondContact O-NE2 3.48Å; Y283-Q285 PolarHBondContact O-N 3.17Å; Q285-F287 PolarHBondContact O-N 3.35Å; Q285-F287 VanDerWaalsContact O-N 3.17Å; Q285-C298 PolarHBondContact O-SG 3.4Å; Q285-V455 HydrophobicContact CB-CG1 3.94Å; Q285-V455 VanDerWaalsContact CD-CG1 3.46Å; Q285-V455 HydrophobicContact CG-CG1 4.01Å; Q285-V455 VanDerWaalsContact OE1-CG1 3.23Å; Q285-N456 WeakPolarHBondContact CA-OD1 3.35Å; Q285-N456 PolarHBondContact N-OD1 3.48Å; Q285-N456 PolarHBondContact O-ND2 3.41Å; Q285-N456 PolarHBondContact O-OD1 3.26Å
286	P	97	Very high	91.1	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.032	35%	0.348	C	S	.	.			trans	-71	-12.8	-168.2	28.1	-35.9	0	0	0	114.7	F240 V299	F240-P286 HydrophobicContact CD1-CG 4.5Å; F240-P286 HydrophobicContact CE1-CG 4.39Å; P286-V299 WeakPolarHBondContact O-CG2 3.18Å; P286-V299 PolarHBondContact O-N 3.15Å
287	F	97.6	Very high	92.4	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-114.2	134.7	-177.3	-53.2	-72.7	0	0	0	110.8	F240 L241 Q285 V299 P301 N327 L330 A331	F240-F287 HydrophobicContact CB-CD2 3.61Å; F240-F287 HydrophobicContact CB-CE2 3.86Å; F240-F287 HydrophobicContact CD1-CD2 4.16Å; F240-F287 HydrophobicContact CD1-CE2 4.31Å; F240-F287 HydrophobicContact CD2-CE2 4.38Å; F240-F287 HydrophobicContact CG-CD2 4.01Å; F240-F287 AromaticContact CG-CE2 3.96Å; F240-F287 HydrophobicContact CG-CE2 3.96Å; L241-F287 HydrophobicContact CD2-CB 3.83Å; L241-F287 HydrophobicContact CD2-CD1 4.22Å; L241-F287 HydrophobicContact CD2-CD2 3.96Å; L241-F287 HydrophobicContact CD2-CG 3.73Å; Q285-F287 PolarHBondContact O-N 3.35Å; Q285-F287 VanDerWaalsContact O-N 3.17Å; F287-V299 WeakPolarHBondContact CA-O 3.48Å; F287-V299 HydrophobicContact CD1-CG2 4Å; F287-V299 HydrophobicContact CE1-CG2 4.24Å; F287-P301 HydrophobicContact CD1-CB 4.02Å; F287-N327 HydrophobicContact CE1-CB 4.05Å; F287-N327 VanDerWaalsContact CE1-OD1 3.25Å; F287-N327 WeakPolarHBondContact CE1-OD1 3.43Å; F287-N327 HydrophobicContact CZ-CB 4.14Å; F287-L330 HydrophobicContact CE1-CB 4.25Å; F287-L330 HydrophobicContact CE1-CD1 3.87Å; F287-L330 HydrophobicContact CZ-CB 3.8Å; F287-L330 HydrophobicContact CZ-CD1 4.27Å; F287-A331 HydrophobicContact CE2-CB 4.46Å
288	Y	96.9	Very high	93.1	Very high	44 Å²	44	51.3 Å²	51.3	17%	0.173	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-58.4	143.8	165.2	-82.1	-65.7	0	0	0	110.8	Y244 E292 G294 K295 C298 V299 R300	Y244-Y288 WeakPolarHBondContact CE2-O 3.35Å; Y244-Y288 PolarHBondContact OH-O 2.96Å; Y288-E292 HydrophobicContact CD1-CB 4.43Å; Y288-G294 WeakPolarHBondContact OH-CA 3.41Å; Y288-K295 HydrophobicContact CE1-CG 4.14Å; Y288-K295 PolarHBondContact OH-N 3.17Å; Y288-K295 PolarHBondContact OH-O 2.83Å; Y288-C298 HydrophobicContact CD1-CB 4.04Å; Y288-C298 HydrophobicContact CD2-CB 3.57Å; Y288-C298 HydrophobicContact CE1-CB 3.86Å; Y288-C298 HydrophobicContact CE2-CB 3.37Å; Y288-C298 WeakPolarHBondContact CE2-O 2.95Å; Y288-C298 HydrophobicContact CG-CB 3.9Å; Y288-V299 PolarHBondContact N-O 2.88Å; Y288-V299 VanDerWaalsContact N-O 3.12Å; Y288-R300 HydrophobicContact CD2-CG 3.98Å
289	Q	94.3	Very high	93.9	Very high	21 Å²	21	46 Å²	46	10%	0.098	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-92	157.1	164.9	-60.1	-58.9	-50.4	0	0	110.5	F240 Q274 N291 E292	F240-Q289 PolarHBondContact O-NE2 3.04Å; Q274-Q289 HydrophobicContact CG-CG 4.5Å; Q289-N291 PolarHBondContact O-N 3.28Å; Q289-E292 HydrophobicContact CB-CB 4.15Å; Q289-E292 PolarHBondContact N-OE2 3.29Å; Q289-E292 VanDerWaalsContact O-CB 3.24Å; Q289-E292 WeakPolarHBondContact O-CB 3.41Å; Q289-E292 PolarHBondContact O-N 3.03Å; Q289-E292 VanDerWaalsContact O-N 3.16Å
290	P	90.8	Very high	94.6	Very high	56 Å²	56	46.6 Å²	46.6	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	133.4	174.9	-23	34.7	0	0	0	111.1	A243 Y244 E292	A243-P290 HydrophobicContact CB-CG 4.01Å; Y244-P290 HydrophobicContact CD2-CG 4.35Å; Y244-P290 HydrophobicContact CE1-CG 4.28Å; Y244-P290 HydrophobicContact CE2-CG 3.93Å; P290-E292 PolarHBondContact O-N 2.88Å
291	N	90.4	Very high	94.9	Very high	179 Å²	179	45 Å²	45	96%	0.957	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	22.2	-178.1	-48.8	-40.9	0	0	0	114.9	Q289	Q289-N291 PolarHBondContact O-N 3.28Å
292	E	90	Very high	95.2	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-80.8	141.6	174.8	-164.2	174.4	-150.4	0	0	111.3	Q274 Y288 Q289 P290 K295	Q274-E292 PolarHBondContact NE2-OE1 3.15Å; Y288-E292 HydrophobicContact CD1-CB 4.43Å; Q289-E292 HydrophobicContact CB-CB 4.15Å; Q289-E292 PolarHBondContact N-OE2 3.29Å; Q289-E292 VanDerWaalsContact O-CB 3.24Å; Q289-E292 WeakPolarHBondContact O-CB 3.41Å; Q289-E292 PolarHBondContact O-N 3.03Å; Q289-E292 VanDerWaalsContact O-N 3.16Å; P290-E292 PolarHBondContact O-N 2.88Å; E292-K295 VanDerWaalsContact CD-NZ 3.29Å; E292-K295 IonicContact OE1-NZ 3.64Å; E292-K295 PolarHBondContact OE1-NZ 2.74Å; E292-K295 IonicContact OE2-NZ 3.98Å; E292-K295 PolarHBondContact OE2-NZ 2.91Å
293	C	90	Very high	95.4	Very high	110 Å²	110	46.6 Å²	46.6	74%	0.743	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-63.2	154.3	170.6	-64.1	0	0	0	0	111.1	K295	C293-K295 PolarHBondContact O-N 3.02Å
294	G	90.4	Very high	95.5	Very high	51 Å²	51	45.3 Å²	45.3	53%	0.526	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-57	128.3	176.5	0	0	0	0	0	111.7	Y288 A578	Y288-G294 WeakPolarHBondContact OH-CA 3.41Å; G294-A578 VanDerWaalsContact C-CB 3.49Å
295	K	94.8	Very high	95.5	Very high	9 Å²	9	47.8 Å²	47.8	4%	0.039	26%	0.261	C	S	.	.			trans	-136.2	147.5	171.7	70	-170.4	-179	-171	0	110.5	Y288 E292 C293 C298 V455 Q579	Y288-K295 HydrophobicContact CE1-CG 4.14Å; Y288-K295 PolarHBondContact OH-N 3.17Å; Y288-K295 PolarHBondContact OH-O 2.83Å; E292-K295 VanDerWaalsContact CD-NZ 3.29Å; E292-K295 IonicContact OE1-NZ 3.64Å; E292-K295 PolarHBondContact OE1-NZ 2.74Å; E292-K295 IonicContact OE2-NZ 3.98Å; E292-K295 PolarHBondContact OE2-NZ 2.91Å; C293-K295 PolarHBondContact O-N 3.02Å; K295-C298 WeakPolarHBondContact CE-SG 3.42Å; K295-C298 HydrophobicContact CG-CB 4.25Å; K295-C298 WeakPolarHBondContact CG-SG 3.17Å; K295-V455 HydrophobicContact CD-CG1 4.38Å; K295-Q579 WeakPolarHBondContact CA-O 3.29Å
296	A	96.9	Very high	95.6	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	146.5	-173.3	0	0	0	0	0	112.9	C298 N456 Q579 F580 F813	A296-C298 PolarHBondContact O-N 2.98Å; A296-C298 VanDerWaalsContact O-N 3.13Å; A296-N456 PolarHBondContact O-ND2 2.97Å; A296-Q579 PolarHBondContact N-O 2.95Å; A296-F580 HydrophobicContact CB-CB 4.39Å; A296-F580 HydrophobicContact CB-CD1 3.56Å; A296-F580 HydrophobicContact CB-CD2 3.98Å; A296-F580 HydrophobicContact CB-CE1 3.6Å; A296-F580 HydrophobicContact CB-CE2 4.03Å; A296-F580 HydrophobicContact CB-CG 3.73Å; A296-F580 HydrophobicContact CB-CZ 3.83Å; A296-F813 HydrophobicContact CB-CE1 3.61Å; A296-F813 HydrophobicContact CB-CZ 3.46Å; A296-F813 VanDerWaalsContact CB-CZ 3.46Å
297	L	97.4	Very high	95.6	Very high	84 Å²	84	57 Å²	57	44%	0.44	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	33.3	174.2	-53.9	-174.6	0	0	0	114.3	N456 F580 L822	L297-N456 HydrophobicContact CB-CB 4.05Å; L297-F580 HydrophobicContact CD1-CE1 3.8Å; L297-F580 HydrophobicContact CD1-CZ 3.75Å; L297-F580 HydrophobicContact CG-CE1 3.96Å; L297-F580 HydrophobicContact CG-CZ 3.93Å; L297-L822 HydrophobicContact CD1-CD1 4.19Å; L297-L822 HydrophobicContact CD1-CD2 4.02Å
298	C	96.3	Very high	95.6	Very high	14 Å²	14	57 Å²	57	10%	0.095	31%	0.311	C	S	.	.			trans	-100	142.5	166.2	-81	0	0	0	0	111.3	Q285 Y288 K295 A296 N456	Q285-C298 PolarHBondContact O-SG 3.4Å; Y288-C298 HydrophobicContact CD1-CB 4.04Å; Y288-C298 HydrophobicContact CD2-CB 3.57Å; Y288-C298 HydrophobicContact CE1-CB 3.86Å; Y288-C298 HydrophobicContact CE2-CB 3.37Å; Y288-C298 WeakPolarHBondContact CE2-O 2.95Å; Y288-C298 HydrophobicContact CG-CB 3.9Å; K295-C298 WeakPolarHBondContact CE-SG 3.42Å; K295-C298 HydrophobicContact CG-CB 4.25Å; K295-C298 WeakPolarHBondContact CG-SG 3.17Å; A296-C298 PolarHBondContact O-N 2.98Å; A296-C298 VanDerWaalsContact O-N 3.13Å; C298-N456 PolarHBondContact SG-ND2 2.84Å
299	V	97.9	Very high	95.7	Very high	16 Å²	16	58 Å²	58	10%	0.097	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-110.9	149.2	170.6	-64	0	0	0	0	110.1	P286 F287 Y288 E305 L330	P286-V299 WeakPolarHBondContact O-CG2 3.18Å; P286-V299 PolarHBondContact O-N 3.15Å; F287-V299 WeakPolarHBondContact CA-O 3.48Å; F287-V299 HydrophobicContact CD1-CG2 4Å; F287-V299 HydrophobicContact CE1-CG2 4.24Å; Y288-V299 PolarHBondContact N-O 2.88Å; Y288-V299 VanDerWaalsContact N-O 3.12Å; V299-E305 HydrophobicContact CG1-CG 4.12Å; V299-L330 HydrophobicContact CG2-CD1 3.46Å; V299-L330 VanDerWaalsContact CG2-CD1 3.46Å
300	R	98	Very high	95.8	Very high	105 Å²	105	66.3 Å²	66.3	40%	0.396	35%	0.351	S	S	.	.			trans	-73.9	129.8	169.2	-77.8	-172.5	-69.7	179.1	-5.4	109.7	Y288 D302 M303 E305 R326	Y288-R300 HydrophobicContact CD2-CG 3.98Å; R300-D302 PolarHBondContact O-N 2.88Å; R300-M303 HydrophobicContact CB-CB 4.12Å; R300-M303 PolarHBondContact NH1-SD 3.06Å; R300-M303 VanDerWaalsContact NH1-SD 3.39Å; R300-M303 PolarHBondContact NH2-SD 2.89Å; R300-M303 VanDerWaalsContact O-O 3.11Å; R300-E305 PolarHBondContact N-OE1 2.86Å; R300-R326 VanDerWaalsContact O-CZ 3.26Å; R300-R326 PolarHBondContact O-NH1 2.69Å; R300-R326 PolarHBondContact O-NH2 3.42Å
301	P	98.3	Very high	96.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.6	-178.5	29.9	-34.9	0	0	0	113.4	L241 Y244 V249 F287 N327	L241-P301 HydrophobicContact CD1-CB 3.98Å; L241-P301 HydrophobicContact CD2-CB 3.5Å; L241-P301 HydrophobicContact CD2-CG 3.76Å; L241-P301 HydrophobicContact CG-CB 4.4Å; Y244-P301 HydrophobicContact CD1-CG 4.05Å; Y244-P301 HydrophobicContact CD2-CG 4Å; Y244-P301 HydrophobicContact CE1-CG 3.61Å; Y244-P301 HydrophobicContact CE2-CG 3.54Å; Y244-P301 HydrophobicContact CG-CG 4.24Å; V249-P301 HydrophobicContact CG1-CB 3.9Å; V249-P301 HydrophobicContact CG1-CG 4.16Å; F287-P301 HydrophobicContact CD1-CB 4.02Å; P301-N327 PolarHBondContact O-ND2 2.92Å
302	D	97.9	Very high	96.5	Very high	67 Å²	67	58.2 Å²	58.2	36%	0.358	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	4.9	-174	62.8	-33.1	0	0	0	113.5	V249 R300	V249-D302 HydrophobicContact CG1-CB 4.06Å; R300-D302 PolarHBondContact O-N 2.88Å
303	M	97.8	Very high	96.8	Very high	84 Å²	84	59.5 Å²	59.5	41%	0.414	31%	0.314	S	S	.	.	S	Bend	trans	-143	142.8	177.9	-166	168.5	-60.5	0	0	111.9	R300 R326	R300-M303 HydrophobicContact CB-CB 4.12Å; R300-M303 PolarHBondContact NH1-SD 3.06Å; R300-M303 VanDerWaalsContact NH1-SD 3.39Å; R300-M303 PolarHBondContact NH2-SD 2.89Å; R300-M303 VanDerWaalsContact O-O 3.11Å; M303-R326 PolarHBondContact O-NH2 3.4Å
304	M	98.6	Very high	96.9	Very high	11 Å²	11	58.4 Å²	58.4	5%	0.054	30%	0.298	C	S	.	.			trans	-76.9	138.6	173.8	-68.9	177.3	70.9	0	0	111.1	E308 L309 F312 F315 P319 Y322 L323	M304-E308 VanDerWaalsContact CA-OE2 3.25Å; M304-E308 WeakPolarHBondContact CA-OE2 3.47Å; M304-E308 HydrophobicContact CB-CB 4.17Å; M304-E308 HydrophobicContact CE-CB 3.81Å; M304-E308 WeakPolarHBondContact CE-O 3.5Å; M304-L309 HydrophobicContact CB-CD2 3.98Å; M304-L309 HydrophobicContact CB-CG 3.87Å; M304-L309 HydrophobicContact CE-CD2 4.22Å; M304-L309 HydrophobicContact SD-CD2 4.02Å; M304-F312 HydrophobicContact CE-CB 4.14Å; M304-F315 HydrophobicContact CE-CB 4.11Å; M304-F315 HydrophobicContact SD-CB 3.8Å; M304-P319 HydrophobicContact CG-CB 3.93Å; M304-P319 HydrophobicContact SD-CB 3.67Å; M304-Y322 HydrophobicContact CE-CD1 3.81Å; M304-Y322 HydrophobicContact CE-CD2 4.47Å; M304-Y322 HydrophobicContact CE-CE1 3.99Å; M304-Y322 HydrophobicContact CE-CG 4.08Å; M304-Y322 HydrophobicContact CG-CD1 3.68Å; M304-Y322 HydrophobicContact CG-CE1 3.99Å; M304-Y322 HydrophobicContact SD-CD1 3.92Å; M304-Y322 HydrophobicContact SD-CG 4.34Å; M304-L323 HydrophobicContact CG-CD2 4.12Å; M304-L323 HydrophobicContact CG-CG 4.5Å
305	E	98	Very high	97.2	Very high	63 Å²	63	56.1 Å²	56.1	29%	0.294	27%	0.274	S	S	.	.			trans	-75	162.9	170.8	-54.6	-59.4	154.3	0	0	111	V299 R300 D307 E308 L309	V299-E305 HydrophobicContact CG1-CG 4.12Å; R300-E305 PolarHBondContact N-OE1 2.86Å; E305-D307 VanDerWaalsContact C-N 3.34Å; E305-D307 PolarHBondContact O-N 3.22Å; E305-E308 HydrophobicContact CB-CG 4.04Å; E305-E308 PolarHBondContact N-OE2 2.82Å; E305-E308 WeakPolarHBondContact O-CA 3.49Å; E305-E308 WeakPolarHBondContact O-CB 3.47Å; E305-E308 PolarHBondContact O-N 3.26Å; E305-L309 PolarHBondContact O-N 2.7Å
306	L	97.9	Very high	97.2	Very high	146 Å²	146	59.6 Å²	59.6	76%	0.764	30%	0.299	S	S	*	.	H	α-helix	trans	-57.7	-43.5	-175.3	-67.1	176.3	0	0	0	113.3	E308 L309 Y310	L306-E308 VanDerWaalsContact C-N 3.27Å; L306-E308 PolarHBondContact O-N 2.96Å; L306-L309 PolarHBondContact O-N 2.9Å; L306-Y310 PolarHBondContact O-N 2.82Å
307	D	97.1	Very high	97	Very high	84 Å²	84	70.7 Å²	70.7	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-29.5	177.3	-80.6	-5.9	0	0	0	112.5	E305 E311 F370 K374	E305-D307 VanDerWaalsContact C-N 3.34Å; E305-D307 PolarHBondContact O-N 3.22Å; D307-E311 PolarHBondContact O-N 2.62Å; D307-E311 VanDerWaalsContact O-N 3.1Å; D307-F370 HydrophobicContact CB-CZ 4.23Å; D307-K374 VanDerWaalsContact CG-NZ 3.27Å; D307-K374 IonicContact OD1-NZ 3.99Å; D307-K374 WeakPolarHBondContact OD2-CE 3.46Å; D307-K374 IonicContact OD2-NZ 3.17Å; D307-K374 PolarHBondContact OD2-NZ 3.29Å
308	E	98.6	Very high	96.9	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.019	33%	0.333	C	S	.	.	H	α-helix	trans	-71.3	-42.4	175.4	-55.6	-176.6	127.6	0	0	109.9	M304 E305 L306 Y310 E311 F312 Y322 R326 F370	M304-E308 VanDerWaalsContact CA-OE2 3.25Å; M304-E308 WeakPolarHBondContact CA-OE2 3.47Å; M304-E308 HydrophobicContact CB-CB 4.17Å; M304-E308 HydrophobicContact CE-CB 3.81Å; M304-E308 WeakPolarHBondContact CE-O 3.5Å; E305-E308 HydrophobicContact CB-CG 4.04Å; E305-E308 PolarHBondContact N-OE2 2.82Å; E305-E308 WeakPolarHBondContact O-CA 3.49Å; E305-E308 WeakPolarHBondContact O-CB 3.47Å; E305-E308 PolarHBondContact O-N 3.26Å; L306-E308 VanDerWaalsContact C-N 3.27Å; L306-E308 PolarHBondContact O-N 2.96Å; E308-Y310 VanDerWaalsContact C-N 3.31Å; E308-Y310 PolarHBondContact O-N 3.4Å; E308-E311 PolarHBondContact O-N 3.46Å; E308-F312 WeakPolarHBondContact O-CD2 3.27Å; E308-F312 PolarHBondContact O-N 3.48Å; E308-Y322 HydrophobicContact CB-CE1 3.95Å; E308-Y322 VanDerWaalsContact CD-CE1 3.47Å; E308-Y322 HydrophobicContact CG-CE1 4.1Å; E308-Y322 WeakPolarHBondContact CG-OH 3.35Å; E308-Y322 WeakPolarHBondContact OE1-CE1 3.48Å; E308-Y322 PolarHBondContact OE1-OH 3.43Å; E308-R326 IonicContact OE1-NE 3.39Å; E308-R326 PolarHBondContact OE1-NE 2.86Å; E308-R326 IonicContact OE2-NE 3.81Å; E308-R326 IonicContact OE2-NH2 3.53Å; E308-R326 PolarHBondContact OE2-NH2 2.82Å; E308-F370 HydrophobicContact CG-CE1 3.87Å; E308-F370 HydrophobicContact CG-CZ 4Å
309	L	98.1	Very high	96.9	Very high	64 Å²	64	70.4 Å²	70.4	34%	0.335	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-35	175.4	-72.6	168.2	0	0	0	112.5	M304 E305 L306 P313	M304-L309 HydrophobicContact CB-CD2 3.98Å; M304-L309 HydrophobicContact CB-CG 3.87Å; M304-L309 HydrophobicContact CE-CD2 4.22Å; M304-L309 HydrophobicContact SD-CD2 4.02Å; E305-L309 PolarHBondContact O-N 2.7Å; L306-L309 PolarHBondContact O-N 2.9Å; L309-P313 WeakPolarHBondContact O-CA 3.38Å
310	Y	97.4	Very high	96.9	Very high	197 Å²	197	70.8 Å²	70.8	77%	0.773	34%	0.342	S	S	*	.	H	α-helix	trans	-68.7	-43.8	175.7	-178.6	-93.7	0	0	0	112.2	L306 E308	L306-Y310 PolarHBondContact O-N 2.82Å; E308-Y310 VanDerWaalsContact C-N 3.31Å; E308-Y310 PolarHBondContact O-N 3.4Å
311	E	97.3	Very high	96.9	Very high	61 Å²	61	65.9 Å²	65.9	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-76.2	-33.7	-179	-167.1	85.5	-178.4	0	0	112.6	D307 E308 P313 F370 R373	D307-E311 PolarHBondContact O-N 2.62Å; D307-E311 VanDerWaalsContact O-N 3.1Å; E308-E311 PolarHBondContact O-N 3.46Å; E311-P313 VanDerWaalsContact C-CD 3.41Å; E311-P313 WeakPolarHBondContact O-CD 3.27Å; E311-F370 HydrophobicContact CB-CD2 3.82Å; E311-F370 HydrophobicContact CB-CE2 3.75Å; E311-F370 HydrophobicContact CG-CD2 3.58Å; E311-F370 HydrophobicContact CG-CE2 4.07Å; E311-F370 HydrophobicContact CG-CG 4.37Å; E311-R373 IonicContact OE1-CZ 2.83Å; E311-R373 IonicContact OE1-NH1 3.81Å; E311-R373 PolarHBondContact OE1-NH1 2.65Å; E311-R373 IonicContact OE1-NH2 2.77Å; E311-R373 PolarHBondContact OE1-NH2 3.01Å; E311-R373 IonicContact OE2-CZ 3.23Å; E311-R373 IonicContact OE2-NH1 2.99Å; E311-R373 PolarHBondContact OE2-NH1 3.32Å; E311-R373 IonicContact OE2-NH2 2.71Å; E311-R373 PolarHBondContact OE2-NH2 2.84Å
312	F	97	Very high	97	Very high	3 Å²	3	65.9 Å²	65.9	1%	0.013	32%	0.324	C	S	.	.			trans	-126.6	62.2	-174.8	-49.8	-83.4	0	0	0	112.8	M304 E308 E314 F315 Y322 R366 V367 F370	M304-F312 HydrophobicContact CE-CB 4.14Å; E308-F312 WeakPolarHBondContact O-CD2 3.27Å; E308-F312 PolarHBondContact O-N 3.48Å; F312-E314 VanDerWaalsContact C-OE2 3.25Å; F312-E314 WeakPolarHBondContact CA-OE2 3.48Å; F312-E314 PolarHBondContact O-N 3.45Å; F312-E314 VanDerWaalsContact O-N 3.13Å; F312-F315 HydrophobicContact CB-CD2 3.64Å; F312-F315 HydrophobicContact CB-CE2 4.28Å; F312-F315 HydrophobicContact CD1-CD2 4.47Å; F312-F315 HydrophobicContact CD1-CE2 4.32Å; F312-F315 HydrophobicContact CG-CD2 4.28Å; F312-F315 PolarHBondContact O-N 2.96Å; F312-F315 VanDerWaalsContact O-N 3.08Å; F312-Y322 HydrophobicContact CD2-CD2 4.04Å; F312-Y322 AromaticContact CD2-CE2 3.41Å; F312-Y322 HydrophobicContact CD2-CE2 3.41Å; F312-Y322 VanDerWaalsContact CD2-CE2 3.41Å; F312-Y322 HydrophobicContact CE2-CD2 4.42Å; F312-Y322 AromaticContact CE2-CE2 3.52Å; F312-Y322 HydrophobicContact CE2-CE2 3.52Å; F312-Y322 HydrophobicContact CG-CD2 4.21Å; F312-Y322 HydrophobicContact CG-CE2 4.03Å; F312-Y322 HydrophobicContact CZ-CE2 4.21Å; F312-R366 HydrophobicContact CE1-CB 3.99Å; F312-V367 HydrophobicContact CE1-CG2 4.5Å; F312-V367 HydrophobicContact CZ-CG2 4.39Å; F312-F370 HydrophobicContact CE2-CB 3.91Å; F312-F370 AromaticContact CE2-CD1 3.88Å; F312-F370 HydrophobicContact CE2-CD1 3.88Å; F312-F370 HydrophobicContact CE2-CD2 4Å; F312-F370 HydrophobicContact CE2-CE1 4.42Å; F312-F370 AromaticContact CE2-CG 3.66Å; F312-F370 HydrophobicContact CE2-CG 3.66Å; F312-F370 HydrophobicContact CZ-CB 3.73Å; F312-F370 HydrophobicContact CZ-CG 4.03Å
313	P	96.5	Very high	97	Very high	73 Å²	73	62.9 Å²	62.9	47%	0.474	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25.3	-177.5	26.2	-35.8	0	0	0	113.1	L309 E311 F315 S316	L309-P313 WeakPolarHBondContact O-CA 3.38Å; E311-P313 VanDerWaalsContact C-CD 3.41Å; E311-P313 WeakPolarHBondContact O-CD 3.27Å; P313-F315 PolarHBondContact O-N 2.93Å; P313-S316 VanDerWaalsContact O-CB 3.31Å; P313-S316 WeakPolarHBondContact O-CB 3.44Å; P313-S316 PolarHBondContact O-N 3.23Å; P313-S316 VanDerWaalsContact O-N 3.13Å; P313-S316 PolarHBondContact O-OG 2.9Å
314	E	93.8	Very high	97	Very high	86 Å²	86	59 Å²	59	40%	0.402	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.5	-24.1	176.5	66.3	-89.4	-148.7	0	0	113.7	F312 R366	F312-E314 VanDerWaalsContact C-OE2 3.25Å; F312-E314 WeakPolarHBondContact CA-OE2 3.48Å; F312-E314 PolarHBondContact O-N 3.45Å; F312-E314 VanDerWaalsContact O-N 3.13Å; E314-R366 IonicContact OE1-CZ 2.97Å; E314-R366 VanDerWaalsContact OE1-CZ 3.24Å; E314-R366 IonicContact OE1-NH1 2.73Å; E314-R366 PolarHBondContact OE1-NH1 3.29Å; E314-R366 IonicContact OE1-NH2 3.75Å; E314-R366 PolarHBondContact OE1-NH2 2.79Å
315	F	95.9	Very high	97	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.018	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-91.7	-3.2	178	-65.3	-52.7	0	0	0	113.8	M304 F312 P313 R317 D318 P319 M321 Y322 E363	M304-F315 HydrophobicContact CE-CB 4.11Å; M304-F315 HydrophobicContact SD-CB 3.8Å; F312-F315 HydrophobicContact CB-CD2 3.64Å; F312-F315 HydrophobicContact CB-CE2 4.28Å; F312-F315 HydrophobicContact CD1-CD2 4.47Å; F312-F315 HydrophobicContact CD1-CE2 4.32Å; F312-F315 HydrophobicContact CG-CD2 4.28Å; F312-F315 PolarHBondContact O-N 2.96Å; F312-F315 VanDerWaalsContact O-N 3.08Å; P313-F315 PolarHBondContact O-N 2.93Å; F315-R317 PolarHBondContact O-N 3.43Å; F315-D318 CarbonylContact O-C 3.11Å; F315-D318 PolarHBondContact O-N 3.13Å; F315-P319 VanDerWaalsContact O-CA 3.24Å; F315-P319 WeakPolarHBondContact O-CA 3.43Å; F315-P319 WeakPolarHBondContact O-CB 3.31Å; F315-P319 VanDerWaalsContact O-N 3.07Å; F315-M321 HydrophobicContact CE1-CE 3.36Å; F315-M321 HydrophobicContact CZ-CE 3.59Å; F315-Y322 AromaticContact CD2-CD2 3.9Å; F315-Y322 HydrophobicContact CD2-CD2 3.9Å; F315-Y322 HydrophobicContact CD2-CG 4.06Å; F315-Y322 HydrophobicContact CE2-CD2 4.27Å; F315-E363 HydrophobicContact CZ-CG 4.38Å
316	S	94.3	Very high	97.1	Very high	82 Å²	82	55.6 Å²	55.6	57%	0.573	27%	0.273	S	S	*	.	S	Bend	trans	-59.6	-31.9	179.4	60.6	0	0	0	0	113.6	P313	P313-S316 VanDerWaalsContact O-CB 3.31Å; P313-S316 WeakPolarHBondContact O-CB 3.44Å; P313-S316 PolarHBondContact O-N 3.23Å; P313-S316 VanDerWaalsContact O-N 3.13Å; P313-S316 PolarHBondContact O-OG 2.9Å
317	R	92.8	Very high	97.1	Very high	237 Å²	237	48.7 Å²	48.7	89%	0.894	24%	0.237	S	C	*	.	S	Bend	trans	-81.8	-39	179.6	-175.6	178.5	178.2	-178	0.5	112.9	F315	F315-R317 PolarHBondContact O-N 3.43Å
318	D	95.2	Very high	97.2	Very high	54 Å²	54	44.7 Å²	44.7	29%	0.289	22%	0.216	S	C	.	.			trans	-140.2	96.3	175.6	-172.3	-14.5	0	0	0	108.9	F315 T320	F315-D318 CarbonylContact O-C 3.11Å; F315-D318 PolarHBondContact O-N 3.13Å; D318-T320 VanDerWaalsContact C-N 3.27Å; D318-T320 PolarHBondContact O-N 2.99Å; D318-T320 VanDerWaalsContact OD1-CB 3.24Å; D318-T320 WeakPolarHBondContact OD1-CB 3.49Å; D318-T320 PolarHBondContact OD1-N 3.31Å; D318-T320 VanDerWaalsContact OD1-N 3.13Å; D318-T320 PolarHBondContact OD1-OG1 3.48Å
319	P	97.3	Very high	97.2	Very high	37 Å²	37	44.5 Å²	44.5	24%	0.24	22%	0.215	C	C	.	.			trans	-84.1	-1.2	-174.9	34.2	-36.8	0	0	0	113	M304 F315 M321 Y322 L323	M304-P319 HydrophobicContact CG-CB 3.93Å; M304-P319 HydrophobicContact SD-CB 3.67Å; F315-P319 VanDerWaalsContact O-CA 3.24Å; F315-P319 WeakPolarHBondContact O-CA 3.43Å; F315-P319 WeakPolarHBondContact O-CB 3.31Å; F315-P319 VanDerWaalsContact O-N 3.07Å; P319-M321 PolarHBondContact O-N 3.19Å; P319-Y322 PolarHBondContact O-N 3.06Å; P319-Y322 VanDerWaalsContact O-N 3.13Å; P319-L323 HydrophobicContact CB-CD1 3.82Å; P319-L323 HydrophobicContact CB-CG 4.1Å; P319-L323 HydrophobicContact CG-CD1 3.91Å; P319-L323 WeakPolarHBondContact O-CB 2.87Å; P319-L323 VanDerWaalsContact O-CG 3.32Å; P319-L323 WeakPolarHBondContact O-CG 3.49Å; P319-L323 PolarHBondContact O-N 3.21Å
320	T	98.2	Very high	97.2	Very high	24 Å²	24	41.8 Å²	41.8	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-45	-166	-50.4	0	0	0	0	112.7	P229 L231 D318 A324	P229-T320 VanDerWaalsContact CB-CB 3.48Å; P229-T320 HydrophobicContact CB-CG2 3.65Å; P229-T320 HydrophobicContact CG-CG2 3.9Å; L231-T320 HydrophobicContact CD2-CG2 4.1Å; D318-T320 VanDerWaalsContact C-N 3.27Å; D318-T320 PolarHBondContact O-N 2.99Å; D318-T320 VanDerWaalsContact OD1-CB 3.24Å; D318-T320 WeakPolarHBondContact OD1-CB 3.49Å; D318-T320 PolarHBondContact OD1-N 3.31Å; D318-T320 VanDerWaalsContact OD1-N 3.13Å; D318-T320 PolarHBondContact OD1-OG1 3.48Å; T320-A324 WeakPolarHBondContact O-CB 3.4Å; T320-A324 PolarHBondContact O-N 2.76Å
321	M	98.1	Very high	97.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-47.2	177.9	-177.2	169.2	63.5	0	0	111.6	P230 F315 P319 L323 A324 L325 C360 E363	P230-M321 HydrophobicContact CG-CB 3.64Å; P230-M321 HydrophobicContact CG-CG 3.7Å; P230-M321 HydrophobicContact CG-SD 4.05Å; F315-M321 HydrophobicContact CE1-CE 3.36Å; F315-M321 HydrophobicContact CZ-CE 3.59Å; P319-M321 PolarHBondContact O-N 3.19Å; M321-L323 PolarHBondContact O-N 3.2Å; M321-A324 PolarHBondContact O-N 3.2Å; M321-L325 HydrophobicContact CG-CD1 4.17Å; M321-L325 VanDerWaalsContact O-CG 3.32Å; M321-L325 WeakPolarHBondContact O-CG 2.96Å; M321-L325 PolarHBondContact O-N 2.91Å; M321-L325 VanDerWaalsContact O-N 3.07Å; M321-C360 VanDerWaalsContact SD-SG 3.63Å; M321-E363 HydrophobicContact CE-CG 4.06Å
322	Y	98.6	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-48.5	179	175.6	-90.7	0	0	0	111.4	M304 E308 F312 F315 P319 A324 L325 R326 V367	M304-Y322 HydrophobicContact CE-CD1 3.81Å; M304-Y322 HydrophobicContact CE-CD2 4.47Å; M304-Y322 HydrophobicContact CE-CE1 3.99Å; M304-Y322 HydrophobicContact CE-CG 4.08Å; M304-Y322 HydrophobicContact CG-CD1 3.68Å; M304-Y322 HydrophobicContact CG-CE1 3.99Å; M304-Y322 HydrophobicContact SD-CD1 3.92Å; M304-Y322 HydrophobicContact SD-CG 4.34Å; E308-Y322 HydrophobicContact CB-CE1 3.95Å; E308-Y322 VanDerWaalsContact CD-CE1 3.47Å; E308-Y322 HydrophobicContact CG-CE1 4.1Å; E308-Y322 WeakPolarHBondContact CG-OH 3.35Å; E308-Y322 WeakPolarHBondContact OE1-CE1 3.48Å; E308-Y322 PolarHBondContact OE1-OH 3.43Å; F312-Y322 HydrophobicContact CD2-CD2 4.04Å; F312-Y322 AromaticContact CD2-CE2 3.41Å; F312-Y322 HydrophobicContact CD2-CE2 3.41Å; F312-Y322 VanDerWaalsContact CD2-CE2 3.41Å; F312-Y322 HydrophobicContact CE2-CD2 4.42Å; F312-Y322 AromaticContact CE2-CE2 3.52Å; F312-Y322 HydrophobicContact CE2-CE2 3.52Å; F312-Y322 HydrophobicContact CG-CD2 4.21Å; F312-Y322 HydrophobicContact CG-CE2 4.03Å; F312-Y322 HydrophobicContact CZ-CE2 4.21Å; F315-Y322 AromaticContact CD2-CD2 3.9Å; F315-Y322 HydrophobicContact CD2-CD2 3.9Å; F315-Y322 HydrophobicContact CD2-CG 4.06Å; F315-Y322 HydrophobicContact CE2-CD2 4.27Å; P319-Y322 PolarHBondContact O-N 3.06Å; P319-Y322 VanDerWaalsContact O-N 3.13Å; Y322-A324 VanDerWaalsContact C-N 3.35Å; Y322-A324 PolarHBondContact O-N 2.96Å; Y322-L325 PolarHBondContact O-N 2.89Å; Y322-R326 HydrophobicContact CE1-CB 4.05Å; Y322-R326 HydrophobicContact CE1-CG 4.41Å; Y322-R326 WeakPolarHBondContact O-CB 3.49Å; Y322-R326 PolarHBondContact O-N 3.36Å; Y322-V367 HydrophobicContact CD2-CG2 3.91Å; Y322-V367 HydrophobicContact CE2-CG1 3.95Å; Y322-V367 HydrophobicContact CE2-CG2 3.92Å
323	L	98.8	Very high	97.4	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-42.6	179.5	-67.7	171	0	0	0	111.4	M304 P319 M321 L325 R326 N327	M304-L323 HydrophobicContact CG-CD2 4.12Å; M304-L323 HydrophobicContact CG-CG 4.5Å; P319-L323 HydrophobicContact CB-CD1 3.82Å; P319-L323 HydrophobicContact CB-CG 4.1Å; P319-L323 HydrophobicContact CG-CD1 3.91Å; P319-L323 WeakPolarHBondContact O-CB 2.87Å; P319-L323 VanDerWaalsContact O-CG 3.32Å; P319-L323 WeakPolarHBondContact O-CG 3.49Å; P319-L323 PolarHBondContact O-N 3.21Å; M321-L323 PolarHBondContact O-N 3.2Å; L323-L325 VanDerWaalsContact C-N 3.32Å; L323-L325 PolarHBondContact O-N 3.31Å; L323-R326 PolarHBondContact O-N 3.26Å; L323-N327 WeakPolarHBondContact O-CB 3.22Å; L323-N327 PolarHBondContact O-N 3.5Å; L323-N327 PolarHBondContact O-ND2 2.79Å; L323-N327 VanDerWaalsContact O-ND2 3.13Å
324	A	98.6	Very high	97.4	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-46.2	175.8	0	0	0	0	0	111.9	L232 G250 T320 M321 Y322 L328	L232-A324 HydrophobicContact CD1-CB 3.78Å; L232-A324 HydrophobicContact CG-CB 3.92Å; G250-A324 WeakPolarHBondContact O-CB 3.21Å; T320-A324 WeakPolarHBondContact O-CB 3.4Å; T320-A324 PolarHBondContact O-N 2.76Å; M321-A324 PolarHBondContact O-N 3.2Å; Y322-A324 VanDerWaalsContact C-N 3.35Å; Y322-A324 PolarHBondContact O-N 2.96Å; A324-L328 VanDerWaalsContact O-CB 3.26Å; A324-L328 WeakPolarHBondContact O-CB 3.34Å; A324-L328 PolarHBondContact O-N 3.49Å
325	L	98.8	Very high	97.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-67.5	-49.8	179.1	-66.6	177.2	0	0	0	111.6	M321 Y322 L323 N327 L328 I329 I350 C360 E363 L364 V367	M321-L325 HydrophobicContact CG-CD1 4.17Å; M321-L325 VanDerWaalsContact O-CG 3.32Å; M321-L325 WeakPolarHBondContact O-CG 2.96Å; M321-L325 PolarHBondContact O-N 2.91Å; M321-L325 VanDerWaalsContact O-N 3.07Å; Y322-L325 PolarHBondContact O-N 2.89Å; L323-L325 VanDerWaalsContact C-N 3.32Å; L323-L325 PolarHBondContact O-N 3.31Å; L325-N327 VanDerWaalsContact C-N 3.34Å; L325-N327 PolarHBondContact O-N 3.41Å; L325-L328 WeakPolarHBondContact O-CB 3.43Å; L325-L328 PolarHBondContact O-N 2.85Å; L325-I329 WeakPolarHBondContact O-CD1 3.19Å; L325-I329 WeakPolarHBondContact O-CG1 3.44Å; L325-I329 PolarHBondContact O-N 3.4Å; L325-I350 HydrophobicContact CD2-CD1 3.56Å; L325-I350 HydrophobicContact CD2-CG1 4.17Å; L325-C360 HydrophobicContact CD2-CB 4.21Å; L325-E363 HydrophobicContact CD1-CB 3.99Å; L325-L364 HydrophobicContact CD2-CD1 4.44Å; L325-V367 HydrophobicContact CD1-CG2 4.49Å
326	R	98.8	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-44.2	179.6	-178.3	-95.4	-81.9	168	-8.9	111.7	R300 M303 E308 Y322 L323 I329 L330 V367 M371	R300-R326 VanDerWaalsContact O-CZ 3.26Å; R300-R326 PolarHBondContact O-NH1 2.69Å; R300-R326 PolarHBondContact O-NH2 3.42Å; M303-R326 PolarHBondContact O-NH2 3.4Å; E308-R326 IonicContact OE1-NE 3.39Å; E308-R326 PolarHBondContact OE1-NE 2.86Å; E308-R326 IonicContact OE2-NE 3.81Å; E308-R326 IonicContact OE2-NH2 3.53Å; E308-R326 PolarHBondContact OE2-NH2 2.82Å; Y322-R326 HydrophobicContact CE1-CB 4.05Å; Y322-R326 HydrophobicContact CE1-CG 4.41Å; Y322-R326 WeakPolarHBondContact O-CB 3.49Å; Y322-R326 PolarHBondContact O-N 3.36Å; L323-R326 PolarHBondContact O-N 3.26Å; R326-I329 PolarHBondContact O-N 2.86Å; R326-L330 PolarHBondContact O-N 3.44Å; R326-V367 HydrophobicContact CB-CG1 4.35Å; R326-M371 HydrophobicContact CB-SD 4.42Å; R326-M371 HydrophobicContact CG-CE 3.99Å; R326-M371 HydrophobicContact CG-SD 3.89Å
327	N	98.8	Very high	97.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-43.7	177.6	-66.5	-18.2	0	0	0	111.3	A237 L241 F287 P301 L323 L325 I329 L330 A331	A237-N327 HydrophobicContact CB-CB 4Å; L241-N327 HydrophobicContact CD1-CB 4.28Å; F287-N327 HydrophobicContact CE1-CB 4.05Å; F287-N327 VanDerWaalsContact CE1-OD1 3.25Å; F287-N327 WeakPolarHBondContact CE1-OD1 3.43Å; F287-N327 HydrophobicContact CZ-CB 4.14Å; P301-N327 PolarHBondContact O-ND2 2.92Å; L323-N327 WeakPolarHBondContact O-CB 3.22Å; L323-N327 PolarHBondContact O-N 3.5Å; L323-N327 PolarHBondContact O-ND2 2.79Å; L323-N327 VanDerWaalsContact O-ND2 3.13Å; L325-N327 VanDerWaalsContact C-N 3.34Å; L325-N327 PolarHBondContact O-N 3.41Å; N327-I329 VanDerWaalsContact C-N 3.34Å; N327-I329 PolarHBondContact O-N 2.98Å; N327-L330 PolarHBondContact O-N 3.14Å; N327-A331 VanDerWaalsContact O-CB 3.27Å; N327-A331 WeakPolarHBondContact O-CB 3.09Å; N327-A331 PolarHBondContact O-N 3.45Å
328	L	98.7	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-45.5	175.3	177.4	152.2	0	0	0	111.5	L232 P236 A324 L325 S332 C346 H349 I350	L232-L328 HydrophobicContact CD1-CD1 3.86Å; P236-L328 HydrophobicContact CG-CG 4.26Å; A324-L328 VanDerWaalsContact O-CB 3.26Å; A324-L328 WeakPolarHBondContact O-CB 3.34Å; A324-L328 PolarHBondContact O-N 3.49Å; L325-L328 WeakPolarHBondContact O-CB 3.43Å; L325-L328 PolarHBondContact O-N 2.85Å; L328-S332 VanDerWaalsContact O-CB 3.3Å; L328-S332 WeakPolarHBondContact O-CB 3.46Å; L328-S332 PolarHBondContact O-N 3.05Å; L328-S332 PolarHBondContact O-OG 2.57Å; L328-C346 HydrophobicContact CD2-CB 3.92Å; L328-H349 HydrophobicContact CD1-CB 4.01Å; L328-H349 WeakPolarHBondContact CD1-O 3.48Å; L328-I350 HydrophobicContact CD1-CG1 4.1Å
329	I	98.8	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-50.4	-179.6	-67.8	162.4	0	0	0	110.6	L325 R326 N327 A331 S332 W333 L341 L364 V367 L368 M371 I377	L325-I329 WeakPolarHBondContact O-CD1 3.19Å; L325-I329 WeakPolarHBondContact O-CG1 3.44Å; L325-I329 PolarHBondContact O-N 3.4Å; R326-I329 PolarHBondContact O-N 2.86Å; N327-I329 VanDerWaalsContact C-N 3.34Å; N327-I329 PolarHBondContact O-N 2.98Å; I329-A331 PolarHBondContact O-N 3.22Å; I329-S332 PolarHBondContact O-N 3.25Å; I329-W333 PolarHBondContact O-N 3.11Å; I329-L341 HydrophobicContact CG2-CD2 3.86Å; I329-L341 WeakPolarHBondContact O-CD2 3.35Å; I329-L364 HydrophobicContact CD1-CD1 3.82Å; I329-L364 HydrophobicContact CG1-CD1 3.98Å; I329-V367 HydrophobicContact CD1-CB 4.05Å; I329-V367 HydrophobicContact CD1-CG1 3.62Å; I329-L368 HydrophobicContact CD1-CB 4.48Å; I329-L368 HydrophobicContact CD1-CD1 4.42Å; I329-L368 HydrophobicContact CG1-CD1 4.33Å; I329-L368 HydrophobicContact CG2-CD1 3.78Å; I329-M371 HydrophobicContact CB-CE 4.1Å; I329-M371 HydrophobicContact CB-SD 3.86Å; I329-M371 HydrophobicContact CD1-SD 3.84Å; I329-M371 HydrophobicContact CG2-CE 3.68Å; I329-M371 HydrophobicContact CG2-SD 3.57Å; I329-M371 VanDerWaalsContact CG2-SD 3.57Å; I329-I377 HydrophobicContact CG2-CD1 3.47Å; I329-I377 VanDerWaalsContact CG2-CD1 3.47Å; I329-I377 HydrophobicContact CG2-CG2 4.16Å
330	L	98.6	Very high	97.8	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-58.5	-46.8	177.8	-77.4	-179.3	0	0	0	111.7	F287 V299 R326 N327 S332 W333 H334 M371 L376 I377	F287-L330 HydrophobicContact CE1-CB 4.25Å; F287-L330 HydrophobicContact CE1-CD1 3.87Å; F287-L330 HydrophobicContact CZ-CB 3.8Å; F287-L330 HydrophobicContact CZ-CD1 4.27Å; V299-L330 HydrophobicContact CG2-CD1 3.46Å; V299-L330 VanDerWaalsContact CG2-CD1 3.46Å; R326-L330 PolarHBondContact O-N 3.44Å; N327-L330 PolarHBondContact O-N 3.14Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.08Å; L330-W333 PolarHBondContact O-N 2.74Å; L330-H334 PolarHBondContact O-N 2.96Å; L330-H334 PolarHBondContact O-ND1 3.44Å; L330-M371 HydrophobicContact CB-CE 4.41Å; L330-M371 HydrophobicContact CD1-CE 4.35Å; L330-M371 HydrophobicContact CD2-CE 3.35Å; L330-M371 HydrophobicContact CG-CE 3.38Å; L330-L376 HydrophobicContact CD2-CB 4.34Å; L330-I377 HydrophobicContact CD2-CG2 4.05Å
331	A	97.9	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-38.9	179.1	0	0	0	0	0	111.8	P236 A237 F240 F287 N327 I329 K335	P236-A331 HydrophobicContact CB-CB 4.19Å; A237-A331 VanDerWaalsContact CA-CB 3.47Å; A237-A331 HydrophobicContact CB-CB 3.8Å; F240-A331 HydrophobicContact CD2-CB 3.91Å; F240-A331 HydrophobicContact CE2-CB 3.77Å; F287-A331 HydrophobicContact CE2-CB 4.46Å; N327-A331 VanDerWaalsContact O-CB 3.27Å; N327-A331 WeakPolarHBondContact O-CB 3.09Å; N327-A331 PolarHBondContact O-N 3.45Å; I329-A331 PolarHBondContact O-N 3.22Å; A331-K335 WeakPolarHBondContact O-CB 3.38Å; A331-K335 VanDerWaalsContact O-CG 3.28Å; A331-K335 WeakPolarHBondContact O-CG 3.43Å; A331-K335 PolarHBondContact O-N 2.91Å; A331-K335 VanDerWaalsContact O-N 3.11Å
332	S	97.8	Very high	97.7	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.112	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-41.3	177.5	-58	0	0	0	0	111.8	L328 I329 L330 K335 N336	L328-S332 VanDerWaalsContact O-CB 3.3Å; L328-S332 WeakPolarHBondContact O-CB 3.46Å; L328-S332 PolarHBondContact O-N 3.05Å; L328-S332 PolarHBondContact O-OG 2.57Å; I329-S332 PolarHBondContact O-N 3.25Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.08Å; S332-K335 PolarHBondContact O-N 3.15Å; S332-N336 PolarHBondContact O-N 2.65Å
333	W	98.4	Very high	97.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-48.9	176.2	171.4	-110.2	0	0	0	112	I329 L330 K335 N336 C337 E339 L341 I377 T379 L382 L461	I329-W333 PolarHBondContact O-N 3.11Å; L330-W333 PolarHBondContact O-N 2.74Å; W333-K335 VanDerWaalsContact C-N 3.29Å; W333-K335 PolarHBondContact O-N 3.47Å; W333-N336 CarbonylContact O-C 3.42Å; W333-N336 PolarHBondContact O-N 3.32Å; W333-N336 VanDerWaalsContact O-N 3.16Å; W333-C337 HydrophobicContact CD2-CB 4.38Å; W333-C337 HydrophobicContact CH2-CB 4.27Å; W333-C337 VanDerWaalsContact CH2-O 3.3Å; W333-C337 WeakPolarHBondContact CH2-O 3.33Å; W333-C337 HydrophobicContact CZ2-CB 3.95Å; W333-C337 WeakPolarHBondContact O-CA 3.33Å; W333-C337 PolarHBondContact O-N 3.42Å; W333-E339 WeakPolarHBondContact CZ3-O 3.35Å; W333-L341 HydrophobicContact CB-CD2 3.99Å; W333-L341 HydrophobicContact CE3-CB 4.31Å; W333-I377 HydrophobicContact CB-CB 4.12Å; W333-I377 HydrophobicContact CB-CG2 3.62Å; W333-I377 HydrophobicContact CD2-CB 4Å; W333-I377 HydrophobicContact CD2-CG2 4.37Å; W333-I377 HydrophobicContact CE3-CB 4.39Å; W333-I377 HydrophobicContact CG-CB 3.84Å; W333-I377 HydrophobicContact CG-CG2 3.68Å; W333-T379 HydrophobicContact CZ2-CG2 4.31Å; W333-L382 HydrophobicContact CH2-CD2 4.06Å; W333-L382 HydrophobicContact CZ3-CD2 4.15Å; W333-L461 HydrophobicContact CZ2-CD1 4.28Å; W333-L461 HydrophobicContact CZ2-CD2 4.3Å
334	H	96.9	Very high	97.4	Very high	24 Å²	24	31 Å²	31	11%	0.111	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-28.7	-178	-69.7	88.1	0	0	0	112.6	L280 F284 L330	L280-H334 HydrophobicContact CD1-CB 4.43Å; L280-H334 WeakPolarHBondContact CD1-O 3.35Å; F284-H334 HydrophobicContact CB-CB 4.25Å; F284-H334 AromaticContact CD1-CD2 4Å; F284-H334 HydrophobicContact CD2-CB 4.07Å; F284-H334 AromaticContact CD2-CD2 3.95Å; F284-H334 WeakPolarHBondContact CD2-O 3.42Å; F284-H334 HydrophobicContact CG-CB 4.4Å; F284-H334 AromaticContact CG-CD2 3.62Å; L330-H334 PolarHBondContact O-N 2.96Å; L330-H334 PolarHBondContact O-ND1 3.44Å
335	K	94.9	Very high	97.2	Very high	106 Å²	106	34.1 Å²	34.1	46%	0.461	17%	0.167	S	C	.	.	H	α-helix	trans	-67.6	-31.5	172.4	-77.2	179.6	-178.4	-176.1	0	113.3	P236 A331 S332 W333	P236-K335 HydrophobicContact CB-CD 4.49Å; P236-K335 WeakPolarHBondContact O-CE 3.31Å; P236-K335 PolarHBondContact O-NZ 3.46Å; A331-K335 WeakPolarHBondContact O-CB 3.38Å; A331-K335 VanDerWaalsContact O-CG 3.28Å; A331-K335 WeakPolarHBondContact O-CG 3.43Å; A331-K335 PolarHBondContact O-N 2.91Å; A331-K335 VanDerWaalsContact O-N 3.11Å; S332-K335 PolarHBondContact O-N 3.15Å; W333-K335 VanDerWaalsContact C-N 3.29Å; W333-K335 PolarHBondContact O-N 3.47Å
336	N	95.8	Very high	97.2	Very high	70 Å²	70	34 Å²	34	37%	0.374	17%	0.167	S	C	.	.			trans	-147	82.6	175.2	-173.4	6.7	0	0	0	111.7	S332 W333 K338	S332-N336 PolarHBondContact O-N 2.65Å; W333-N336 CarbonylContact O-C 3.42Å; W333-N336 PolarHBondContact O-N 3.32Å; W333-N336 VanDerWaalsContact O-N 3.16Å; N336-K338 VanDerWaalsContact C-N 3.26Å; N336-K338 PolarHBondContact O-N 2.91Å; N336-K338 PolarHBondContact OD1-N 3.16Å
337	C	97.1	Very high	97.1	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.027	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	0.2	-178.7	63.3	0	0	0	0	114.3	W333 L461 Q465	W333-C337 HydrophobicContact CD2-CB 4.38Å; W333-C337 HydrophobicContact CH2-CB 4.27Å; W333-C337 VanDerWaalsContact CH2-O 3.3Å; W333-C337 WeakPolarHBondContact CH2-O 3.33Å; W333-C337 HydrophobicContact CZ2-CB 3.95Å; W333-C337 WeakPolarHBondContact O-CA 3.33Å; W333-C337 PolarHBondContact O-N 3.42Å; C337-L461 HydrophobicContact CB-CD1 3.55Å; C337-Q465 HydrophobicContact CB-CG 4.36Å; C337-Q465 WeakPolarHBondContact O-CG 3.47Å; C337-Q465 PolarHBondContact O-NE2 3.41Å
338	K	96.9	Very high	97	Very high	105 Å²	105	37.5 Å²	37.5	46%	0.457	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.5	-177.7	-68.8	172.2	-175.5	162.6	0	112.8	N336 L382 E464	N336-K338 VanDerWaalsContact C-N 3.26Å; N336-K338 PolarHBondContact O-N 2.91Å; N336-K338 PolarHBondContact OD1-N 3.16Å; K338-L382 WeakPolarHBondContact O-CD1 3.27Å; K338-E464 WeakPolarHBondContact CE-O 3.48Å; K338-E464 PolarHBondContact NZ-O 2.98Å; K338-E464 IonicContact NZ-OE1 3.84Å; K338-E464 PolarHBondContact NZ-OE1 3.02Å
339	E	96.3	Very high	96.9	Very high	95 Å²	95	40.7 Å²	40.7	44%	0.444	20%	0.2	S	C	.	.	S	Bend	trans	-121.1	153.6	179.5	-68	-177.4	-163	0	0	111.4	W333 L341 K345	W333-E339 WeakPolarHBondContact CZ3-O 3.35Å; E339-L341 PolarHBondContact O-N 3.3Å; E339-K345 IonicContact OE2-NZ 2.68Å; E339-K345 PolarHBondContact OE2-NZ 3.15Å
340	V	97.6	Very high	96.9	Very high	42 Å²	42	40.7 Å²	40.7	26%	0.255	20%	0.2	S	C	.	.			trans	-62.1	125.2	167	-178.3	0	0	0	0	109	T342 K345 L382 V384 L388	V340-T342 HydrophobicContact CG1-CG2 4.01Å; V340-K345 PolarHBondContact O-NZ 2.99Å; V340-L382 HydrophobicContact CB-CD2 4.44Å; V340-L382 HydrophobicContact CG2-CD2 3.77Å; V340-L382 HydrophobicContact CG2-CG 4.33Å; V340-V384 HydrophobicContact CG2-CG1 3.93Å; V340-L388 HydrophobicContact CB-CD2 4.46Å; V340-L388 HydrophobicContact CG1-CD2 3.5Å; V340-L388 VanDerWaalsContact CG1-CD2 3.5Å; V340-L388 HydrophobicContact CG2-CD2 4.04Å
341	L	97.8	Very high	96.9	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.089	20%	0.2	C	C	.	.			trans	-85.2	120.2	169.5	-173	64.9	0	0	0	108.8	I329 W333 E339 K345 C346 L368 I377 N378	I329-L341 HydrophobicContact CG2-CD2 3.86Å; I329-L341 WeakPolarHBondContact O-CD2 3.35Å; W333-L341 HydrophobicContact CB-CD2 3.99Å; W333-L341 HydrophobicContact CE3-CB 4.31Å; E339-L341 PolarHBondContact O-N 3.3Å; L341-K345 HydrophobicContact CD1-CB 4.33Å; L341-C346 VanDerWaalsContact CD1-SG 3.59Å; L341-L368 HydrophobicContact CD2-CD1 4.27Å; L341-L368 HydrophobicContact CG-CD1 4.25Å; L341-I377 HydrophobicContact CD2-CD1 4.43Å; L341-N378 WeakPolarHBondContact CB-OD1 3.43Å; L341-N378 PolarHBondContact N-OD1 2.99Å; L341-N378 PolarHBondContact O-ND2 2.71Å
342	T	96.6	Very high	96.9	Very high	42 Å²	42	41 Å²	41	26%	0.258	20%	0.203	S	C	.	.			trans	-115.1	162.4	-178.6	76.2	0	0	0	0	111.1	V340 E344 K345 C346	V340-T342 HydrophobicContact CG1-CG2 4.01Å; T342-E344 WeakPolarHBondContact CB-OE2 3.39Å; T342-E344 PolarHBondContact O-N 3.37Å; T342-E344 PolarHBondContact OG1-N 3.24Å; T342-E344 PolarHBondContact OG1-OE2 2.96Å; T342-K345 PolarHBondContact O-N 3.32Å; T342-K345 PolarHBondContact OG1-N 3.03Å; T342-C346 PolarHBondContact O-N 2.95Å; T342-C346 VanDerWaalsContact O-N 3.11Å
343	A	95.9	Very high	96.9	Very high	9 Å²	9	40.9 Å²	40.9	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-34.9	177.3	0	0	0	0	0	111.3	K345 C346 A347 L364 D365 L368	A343-K345 PolarHBondContact O-N 3.24Å; A343-C346 PolarHBondContact O-N 3.05Å; A343-A347 VanDerWaalsContact O-CB 3.22Å; A343-A347 WeakPolarHBondContact O-CB 3.31Å; A343-A347 PolarHBondContact O-N 2.83Å; A343-L364 HydrophobicContact CB-CD2 4.05Å; A343-L364 HydrophobicContact CB-CG 4.17Å; A343-L364 WeakPolarHBondContact O-CD2 3.33Å; A343-D365 WeakPolarHBondContact CB-OD1 3.42Å; A343-L368 HydrophobicContact CB-CD2 4.21Å; A343-L368 VanDerWaalsContact N-CD2 3.32Å
344	E	94.2	Very high	96.9	Very high	107 Å²	107	40.8 Å²	40.8	50%	0.5	20%	0.199	S	C	.	.	H	α-helix	trans	-63.5	-41.7	176.9	-57.5	80.7	-174.8	0	0	112.3	T342 Q348	T342-E344 WeakPolarHBondContact CB-OE2 3.39Å; T342-E344 PolarHBondContact O-N 3.37Å; T342-E344 PolarHBondContact OG1-N 3.24Å; T342-E344 PolarHBondContact OG1-OE2 2.96Å; E344-Q348 WeakPolarHBondContact O-CG 3.38Å; E344-Q348 PolarHBondContact O-NE2 2.68Å
345	K	95.6	Very high	96.9	Very high	69 Å²	69	39.7 Å²	39.7	30%	0.3	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-40.4	177.1	-68.9	-177.4	-179.2	177.9	0	111.2	E339 V340 L341 T342 A343 H349	E339-K345 IonicContact OE2-NZ 2.68Å; E339-K345 PolarHBondContact OE2-NZ 3.15Å; V340-K345 PolarHBondContact O-NZ 2.99Å; L341-K345 HydrophobicContact CD1-CB 4.33Å; T342-K345 PolarHBondContact O-N 3.32Å; T342-K345 PolarHBondContact OG1-N 3.03Å; A343-K345 PolarHBondContact O-N 3.24Å; K345-H349 PolarHBondContact O-ND1 3.18Å
346	C	97.8	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.8	-40.1	177.7	-76	0	0	0	0	112.5	L328 L341 T342 A343 Q348 H349 I350 L364	L328-C346 HydrophobicContact CD2-CB 3.92Å; L341-C346 VanDerWaalsContact CD1-SG 3.59Å; T342-C346 PolarHBondContact O-N 2.95Å; T342-C346 VanDerWaalsContact O-N 3.11Å; A343-C346 PolarHBondContact O-N 3.05Å; C346-Q348 PolarHBondContact O-N 2.97Å; C346-Q348 VanDerWaalsContact O-N 3.17Å; C346-H349 PolarHBondContact O-N 3.42Å; C346-I350 PolarHBondContact O-N 3.11Å; C346-L364 HydrophobicContact CB-CD1 3.84Å; C346-L364 HydrophobicContact CB-CD2 3.68Å; C346-L364 HydrophobicContact CB-CG 4.21Å
347	A	97.1	Very high	97.2	Very high	15 Å²	15	32.2 Å²	32.2	12%	0.124	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-28.7	-177	0	0	0	0	0	113.2	A343 H349 I350 R357 V361 L364	A343-A347 VanDerWaalsContact O-CB 3.22Å; A343-A347 WeakPolarHBondContact O-CB 3.31Å; A343-A347 PolarHBondContact O-N 2.83Å; A347-H349 PolarHBondContact O-N 3.33Å; A347-I350 PolarHBondContact O-N 2.74Å; A347-R357 PolarHBondContact O-NH2 3.21Å; A347-V361 HydrophobicContact CB-CG1 4.07Å; A347-V361 HydrophobicContact CB-CG2 4.08Å; A347-L364 HydrophobicContact CB-CD2 3.9Å
348	Q	96.5	Very high	97.2	Very high	58 Å²	58	32 Å²	32	27%	0.271	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.1	173.5	-65.3	166	17	0	0	112	A183 A187 E344 C346 I351	A183-Q348 VanDerWaalsContact CA-O 3.22Å; A183-Q348 WeakPolarHBondContact CA-O 3.1Å; A183-Q348 WeakPolarHBondContact CB-O 3.48Å; A187-Q348 VanDerWaalsContact CB-CD 3.5Å; A187-Q348 HydrophobicContact CB-CG 3.81Å; E344-Q348 WeakPolarHBondContact O-CG 3.38Å; E344-Q348 PolarHBondContact O-NE2 2.68Å; C346-Q348 PolarHBondContact O-N 2.97Å; C346-Q348 VanDerWaalsContact O-N 3.17Å; Q348-I351 WeakPolarHBondContact O-CD1 3.32Å
349	H	97.2	Very high	97.2	Very high	67 Å²	67	27.4 Å²	27.4	31%	0.31	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.7	-177.5	-59.6	93.8	0	0	0	113.3	P236 L328 K345 C346 A347 I351	P236-H349 HydrophobicContact CG-CB 3.85Å; L328-H349 HydrophobicContact CD1-CB 4.01Å; L328-H349 WeakPolarHBondContact CD1-O 3.48Å; K345-H349 PolarHBondContact O-ND1 3.18Å; C346-H349 PolarHBondContact O-N 3.42Å; A347-H349 PolarHBondContact O-N 3.33Å; H349-I351 PolarHBondContact O-N 2.62Å; H349-I351 VanDerWaalsContact O-N 3.11Å
350	I	98.1	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.			trans	-80.7	89.8	171.4	-60.2	177.8	0	0	0	107.6	L232 L325 L328 C346 A347 V352 R357 C360 V361 L364	L232-I350 HydrophobicContact CD2-CG2 3.88Å; L325-I350 HydrophobicContact CD2-CD1 3.56Å; L325-I350 HydrophobicContact CD2-CG1 4.17Å; L328-I350 HydrophobicContact CD1-CG1 4.1Å; C346-I350 PolarHBondContact O-N 3.11Å; A347-I350 PolarHBondContact O-N 2.74Å; I350-V352 HydrophobicContact CG2-CG1 4.21Å; I350-R357 HydrophobicContact CG2-CG 4.23Å; I350-R357 PolarHBondContact O-NE 3.13Å; I350-R357 PolarHBondContact O-NH2 2.9Å; I350-C360 HydrophobicContact CD1-CB 4.41Å; I350-C360 HydrophobicContact CG2-CB 3.8Å; I350-V361 HydrophobicContact CB-CG2 4.45Å; I350-V361 HydrophobicContact CD1-CG2 3.97Å; I350-V361 HydrophobicContact CG2-CG2 4.48Å; I350-L364 HydrophobicContact CD1-CD1 4.26Å; I350-L364 HydrophobicContact CD1-CD2 3.89Å; I350-L364 HydrophobicContact CD1-CG 4.47Å
351	I	98.1	Very high	97.2	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-104.6	99.1	177.5	-49.2	-58.6	0	0	0	108.9	F160 L181 K233 Q348 H349	F160-I351 HydrophobicContact CE1-CG2 3.95Å; F160-I351 HydrophobicContact CZ-CG2 4.33Å; L181-I351 HydrophobicContact CD2-CD1 4.11Å; L181-I351 HydrophobicContact CG-CD1 4.04Å; L181-I351 WeakPolarHBondContact O-CG2 3.43Å; K233-I351 HydrophobicContact CB-CB 4.28Å; K233-I351 HydrophobicContact CB-CG2 4.14Å; K233-I351 WeakPolarHBondContact CB-O 3.45Å; K233-I351 PolarHBondContact N-O 2.63Å; Q348-I351 WeakPolarHBondContact O-CD1 3.32Å; H349-I351 PolarHBondContact O-N 2.62Å; H349-I351 VanDerWaalsContact O-N 3.11Å
352	V	98.1	Very high	97.1	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.055	12%	0.122	C	C	.	.			trans	-146.5	144.3	175.8	64.6	0	0	0	0	108.7	F160 P230 L232 I350 V356 R357	F160-V352 WeakPolarHBondContact CD1-O 3.39Å; P230-V352 HydrophobicContact CB-CG2 4.15Å; L232-V352 HydrophobicContact CD2-CB 4.03Å; L232-V352 HydrophobicContact CD2-CG1 4.11Å; I350-V352 HydrophobicContact CG2-CG1 4.21Å; V352-V356 HydrophobicContact CG1-CG1 4.28Å; V352-V356 HydrophobicContact CG2-CG1 4.07Å; V352-R357 HydrophobicContact CG1-CB 3.67Å; V352-R357 HydrophobicContact CG1-CG 4.04Å; V352-R357 WeakPolarHBondContact O-CD 3.27Å
353	R	98.2	Very high	97	Very high	12 Å²	12	24.1 Å²	24.1	5%	0.045	12%	0.118	C	C	.	.			trans	-78.9	156	-179.5	-69	175.5	176.4	-70.2	-5.6	110.7	A154 D155 Q156 L158 F160 V356	A154-R353 WeakPolarHBondContact O-CB 3.38Å; D155-R353 VanDerWaalsContact O-CD 3.32Å; D155-R353 WeakPolarHBondContact O-CD 3.21Å; D155-R353 PolarHBondContact O-NE 2.91Å; Q156-R353 PolarHBondContact O-NE 3.17Å; Q156-R353 PolarHBondContact O-NH2 2.92Å; L158-R353 HydrophobicContact CB-CB 3.67Å; L158-R353 WeakPolarHBondContact O-CB 3.3Å; L158-R353 WeakPolarHBondContact O-CD 3.43Å; L158-R353 VanDerWaalsContact O-CG 3.26Å; L158-R353 WeakPolarHBondContact O-CG 3.21Å; L158-R353 PolarHBondContact O-NH1 2.96Å; F160-R353 HydrophobicContact CD1-CB 4.39Å; F160-R353 HydrophobicContact CD1-CG 3.87Å; F160-R353 HydrophobicContact CD2-CG 4.21Å; F160-R353 HydrophobicContact CE1-CB 4.28Å; F160-R353 HydrophobicContact CE1-CG 3.46Å; F160-R353 VanDerWaalsContact CE1-CG 3.46Å; F160-R353 HydrophobicContact CE2-CG 3.84Å; F160-R353 VanDerWaalsContact CE2-NH1 3.3Å; F160-R353 HydrophobicContact CG-CG 4.23Å; F160-R353 HydrophobicContact CZ-CG 3.45Å; F160-R353 VanDerWaalsContact CZ-CG 3.45Å; R353-V356 WeakPolarHBondContact O-CG1 3.24Å
354	G	98	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	82.2	176	173.9	0	0	0	0	0	115.7	E111 P159 V356 R357	E111-G354 WeakPolarHBondContact OE1-CA 3.33Å; P159-G354 WeakPolarHBondContact O-CA 3.48Å; P159-G354 PolarHBondContact O-N 3.32Å; G354-V356 PolarHBondContact O-N 3.22Å; G354-R357 WeakPolarHBondContact O-CB 3.44Å; G354-R357 PolarHBondContact O-N 3.14Å; G354-R357 VanDerWaalsContact O-N 3.14Å
355	L	98.1	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	-179.2	-78.6	168	0	0	0	112.6	E111 W161 R213 V214 V217 W222 R357 V358	E111-L355 HydrophobicContact CG-CD1 4.08Å; E111-L355 HydrophobicContact CG-CG 4.47Å; E111-L355 PolarHBondContact OE1-N 3.48Å; W161-L355 HydrophobicContact CD2-CD2 3.78Å; W161-L355 HydrophobicContact CD2-CG 4.45Å; W161-L355 VanDerWaalsContact CE2-CD2 3.45Å; W161-L355 HydrophobicContact CE3-CD2 4.11Å; W161-L355 HydrophobicContact CG-CD2 4.39Å; W161-L355 HydrophobicContact CH2-CD2 3.86Å; W161-L355 HydrophobicContact CZ2-CD1 4.47Å; W161-L355 HydrophobicContact CZ2-CD2 3.5Å; W161-L355 HydrophobicContact CZ2-CG 3.9Å; W161-L355 HydrophobicContact CZ3-CD2 4.15Å; R213-L355 HydrophobicContact CB-CD1 3.84Å; V214-L355 HydrophobicContact CG2-CD2 4.38Å; V217-L355 HydrophobicContact CG2-CB 4.06Å; V217-L355 HydrophobicContact CG2-CD2 4.13Å; W222-L355 HydrophobicContact CH2-CB 4.19Å; W222-L355 HydrophobicContact CZ2-CB 3.81Å; L355-R357 PolarHBondContact O-N 3.22Å; L355-R357 VanDerWaalsContact O-N 3.11Å; L355-V358 HydrophobicContact CD2-CG2 4.32Å; L355-V358 WeakPolarHBondContact O-CA 3.48Å; L355-V358 WeakPolarHBondContact O-CB 3.39Å; L355-V358 WeakPolarHBondContact O-CG2 3.47Å; L355-V358 PolarHBondContact O-N 3.03Å
356	V	97.9	Very high	97.1	Very high	12 Å²	12	22.9 Å²	22.9	7%	0.073	11%	0.111	C	C	.	.	H	α-helix	trans	-57.3	-26.9	174.9	70.8	0	0	0	0	112.5	W222 L226 P230 V352 R353 G354 V358 C359 C360	W222-V356 HydrophobicContact CH2-CB 4.23Å; L226-V356 HydrophobicContact CD1-CB 3.93Å; L226-V356 HydrophobicContact CD1-CG2 3.43Å; L226-V356 VanDerWaalsContact CD1-CG2 3.43Å; P230-V356 HydrophobicContact CB-CG1 4.08Å; P230-V356 HydrophobicContact CB-CG2 3.68Å; P230-V356 HydrophobicContact CG-CG2 3.81Å; V352-V356 HydrophobicContact CG1-CG1 4.28Å; V352-V356 HydrophobicContact CG2-CG1 4.07Å; R353-V356 WeakPolarHBondContact O-CG1 3.24Å; G354-V356 PolarHBondContact O-N 3.22Å; V356-V358 PolarHBondContact O-N 2.83Å; V356-C359 WeakPolarHBondContact O-CB 3.46Å; V356-C359 PolarHBondContact O-N 2.83Å; V356-C359 VanDerWaalsContact O-N 3.15Å; V356-C360 PolarHBondContact O-N 2.79Å; V356-C360 PolarHBondContact O-SG 2.77Å
357	R	98.1	Very high	97.1	Very high	8 Å²	8	22.9 Å²	22.9	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-36	172.5	-173.2	170.2	178.4	-75.1	-14.1	112.5	W161 W172 A347 I350 V352 G354 L355 C360 V361	W161-R357 VanDerWaalsContact O-CD 3.3Å; W161-R357 WeakPolarHBondContact O-CD 3.26Å; W161-R357 PolarHBondContact O-NH1 2.69Å; W172-R357 HydrophobicContact CZ3-CG 4.48Å; A347-R357 PolarHBondContact O-NH2 3.21Å; I350-R357 HydrophobicContact CG2-CG 4.23Å; I350-R357 PolarHBondContact O-NE 3.13Å; I350-R357 PolarHBondContact O-NH2 2.9Å; V352-R357 HydrophobicContact CG1-CB 3.67Å; V352-R357 HydrophobicContact CG1-CG 4.04Å; V352-R357 WeakPolarHBondContact O-CD 3.27Å; G354-R357 WeakPolarHBondContact O-CB 3.44Å; G354-R357 PolarHBondContact O-N 3.14Å; G354-R357 VanDerWaalsContact O-N 3.14Å; L355-R357 PolarHBondContact O-N 3.22Å; L355-R357 VanDerWaalsContact O-N 3.11Å; R357-C360 PolarHBondContact O-N 2.84Å; R357-V361 HydrophobicContact CG-CG2 4.49Å; R357-V361 WeakPolarHBondContact O-CG2 3.46Å; R357-V361 PolarHBondContact O-N 2.88Å
358	V	97.7	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-48.8	175.5	-177.2	0	0	0	0	109.4	W161 W172 V214 V217 L355 V356 V361 Q362	W161-V358 HydrophobicContact CB-CG2 4.35Å; W172-V358 HydrophobicContact CD2-CB 4.44Å; W172-V358 HydrophobicContact CD2-CG1 4.25Å; W172-V358 HydrophobicContact CD2-CG2 3.72Å; W172-V358 HydrophobicContact CE3-CG2 3.65Å; W172-V358 HydrophobicContact CG-CG1 4.5Å; W172-V358 HydrophobicContact CG-CG2 4.22Å; W172-V358 HydrophobicContact CH2-CB 4.37Å; W172-V358 HydrophobicContact CH2-CG2 4.18Å; W172-V358 HydrophobicContact CZ2-CB 4.27Å; W172-V358 HydrophobicContact CZ2-CG1 4.08Å; W172-V358 HydrophobicContact CZ2-CG2 4.3Å; W172-V358 HydrophobicContact CZ3-CG2 3.85Å; V214-V358 HydrophobicContact CG1-CG1 4.15Å; V217-V358 HydrophobicContact CB-CB 4.47Å; V217-V358 HydrophobicContact CB-CG1 4.28Å; V217-V358 HydrophobicContact CG1-CB 4.06Å; V217-V358 HydrophobicContact CG1-CG1 4.13Å; V217-V358 HydrophobicContact CG2-CB 4.38Å; L355-V358 HydrophobicContact CD2-CG2 4.32Å; L355-V358 WeakPolarHBondContact O-CA 3.48Å; L355-V358 WeakPolarHBondContact O-CB 3.39Å; L355-V358 WeakPolarHBondContact O-CG2 3.47Å; L355-V358 PolarHBondContact O-N 3.03Å; V356-V358 PolarHBondContact O-N 2.83Å; V358-V361 PolarHBondContact O-N 3.14Å; V358-Q362 HydrophobicContact CG1-CG 4.44Å; V358-Q362 VanDerWaalsContact O-CG 3.31Å; V358-Q362 WeakPolarHBondContact O-CG 3.49Å; V358-Q362 PolarHBondContact O-N 3.24Å
359	C	96.1	Very high	97.3	Very high	8 Å²	8	21.2 Å²	21.2	5%	0.054	10%	0.1	C	C	.	.	H	α-helix	trans	-58	-50.2	176.4	-174.2	0	0	0	0	111.5	V217 W222 V356 V361 Q362 E363	V217-C359 HydrophobicContact CG1-CB 3.57Å; W222-C359 HydrophobicContact CZ3-CB 4.12Å; V356-C359 WeakPolarHBondContact O-CB 3.46Å; V356-C359 PolarHBondContact O-N 2.83Å; V356-C359 VanDerWaalsContact O-N 3.15Å; C359-V361 VanDerWaalsContact C-N 3.3Å; C359-V361 PolarHBondContact O-N 3.41Å; C359-Q362 PolarHBondContact O-N 2.91Å; C359-Q362 VanDerWaalsContact O-N 3.09Å; C359-E363 PolarHBondContact O-N 2.84Å
360	C	97.7	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-56.5	-41.3	177.7	-65	0	0	0	0	113	M321 L325 I350 V356 R357 L364	M321-C360 VanDerWaalsContact SD-SG 3.63Å; L325-C360 HydrophobicContact CD2-CB 4.21Å; I350-C360 HydrophobicContact CD1-CB 4.41Å; I350-C360 HydrophobicContact CG2-CB 3.8Å; V356-C360 PolarHBondContact O-N 2.79Å; V356-C360 PolarHBondContact O-SG 2.77Å; R357-C360 PolarHBondContact O-N 2.84Å; C360-L364 PolarHBondContact O-N 3.47Å
361	V	97.3	Very high	97.4	Very high	18 Å²	18	18.2 Å²	18.2	11%	0.109	9%	0.087	C	C	.	.	H	α-helix	trans	-72.8	-33.4	178.3	171.5	0	0	0	0	111.7	W172 A347 I350 R357 V358 C359 L364	W172-V361 HydrophobicContact CH2-CB 3.88Å; W172-V361 HydrophobicContact CH2-CG1 4.17Å; W172-V361 HydrophobicContact CH2-CG2 3.88Å; W172-V361 HydrophobicContact CZ2-CB 3.93Å; W172-V361 HydrophobicContact CZ2-CG1 3.9Å; W172-V361 HydrophobicContact CZ2-CG2 4.42Å; A347-V361 HydrophobicContact CB-CG1 4.07Å; A347-V361 HydrophobicContact CB-CG2 4.08Å; I350-V361 HydrophobicContact CB-CG2 4.45Å; I350-V361 HydrophobicContact CD1-CG2 3.97Å; I350-V361 HydrophobicContact CG2-CG2 4.48Å; R357-V361 HydrophobicContact CG-CG2 4.49Å; R357-V361 WeakPolarHBondContact O-CG2 3.46Å; R357-V361 PolarHBondContact O-N 2.88Å; V358-V361 PolarHBondContact O-N 3.14Å; C359-V361 VanDerWaalsContact C-N 3.3Å; C359-V361 PolarHBondContact O-N 3.41Å; V361-L364 VanDerWaalsContact O-CB 3.29Å; V361-L364 WeakPolarHBondContact O-CB 3.16Å; V361-L364 PolarHBondContact O-N 2.9Å
362	Q	94.4	Very high	97.4	Very high	70 Å²	70	18 Å²	18	33%	0.327	9%	0.086	S	C	.	.	H	α-helix	trans	-69.5	-38.8	175.4	-73.3	176.5	-9.8	0	0	112.2	S218 V358 C359 L364	S218-Q362 VanDerWaalsContact OG-CD 3.27Å; S218-Q362 PolarHBondContact OG-NE2 3.19Å; S218-Q362 PolarHBondContact OG-OE1 2.82Å; V358-Q362 HydrophobicContact CG1-CG 4.44Å; V358-Q362 VanDerWaalsContact O-CG 3.31Å; V358-Q362 WeakPolarHBondContact O-CG 3.49Å; V358-Q362 PolarHBondContact O-N 3.24Å; C359-Q362 PolarHBondContact O-N 2.91Å; C359-Q362 VanDerWaalsContact O-N 3.09Å; Q362-L364 VanDerWaalsContact C-N 3.27Å; Q362-L364 PolarHBondContact O-N 3.38Å
363	E	95.9	Very high	97.4	Very high	38 Å²	38	18.2 Å²	18.2	18%	0.178	9%	0.085	C	C	.	.	H	α-helix	trans	-72	-22.1	176.7	-72.1	-57.9	147.2	0	0	113.2	F315 M321 L325 C359 D365 R366 V367	F315-E363 HydrophobicContact CZ-CG 4.38Å; M321-E363 HydrophobicContact CE-CG 4.06Å; L325-E363 HydrophobicContact CD1-CB 3.99Å; C359-E363 PolarHBondContact O-N 2.84Å; E363-D365 VanDerWaalsContact C-N 3.29Å; E363-D365 PolarHBondContact O-N 3.05Å; E363-R366 PolarHBondContact O-N 2.88Å; E363-R366 IonicContact OE1-NH1 3.3Å; E363-R366 PolarHBondContact OE1-NH1 3.09Å; E363-R366 WeakPolarHBondContact OE2-CD 3.26Å; E363-R366 IonicContact OE2-CZ 3.18Å; E363-R366 IonicContact OE2-NE 3.2Å; E363-R366 IonicContact OE2-NH1 2.95Å; E363-R366 PolarHBondContact OE2-NH1 3.36Å; E363-V367 PolarHBondContact O-N 3.36Å; E363-V367 VanDerWaalsContact O-N 3.15Å
364	L	95.2	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.8	-42	-174.6	-175.6	61.6	0	0	0	112.9	L325 I329 A343 C346 A347 I350 C360 V361 Q362 R366 V367 L368	L325-L364 HydrophobicContact CD2-CD1 4.44Å; I329-L364 HydrophobicContact CD1-CD1 3.82Å; I329-L364 HydrophobicContact CG1-CD1 3.98Å; A343-L364 HydrophobicContact CB-CD2 4.05Å; A343-L364 HydrophobicContact CB-CG 4.17Å; A343-L364 WeakPolarHBondContact O-CD2 3.33Å; C346-L364 HydrophobicContact CB-CD1 3.84Å; C346-L364 HydrophobicContact CB-CD2 3.68Å; C346-L364 HydrophobicContact CB-CG 4.21Å; A347-L364 HydrophobicContact CB-CD2 3.9Å; I350-L364 HydrophobicContact CD1-CD1 4.26Å; I350-L364 HydrophobicContact CD1-CD2 3.89Å; I350-L364 HydrophobicContact CD1-CG 4.47Å; C360-L364 PolarHBondContact O-N 3.47Å; V361-L364 VanDerWaalsContact O-CB 3.29Å; V361-L364 WeakPolarHBondContact O-CB 3.16Å; V361-L364 PolarHBondContact O-N 2.9Å; Q362-L364 VanDerWaalsContact C-N 3.27Å; Q362-L364 PolarHBondContact O-N 3.38Å; L364-R366 VanDerWaalsContact C-N 3.35Å; L364-R366 PolarHBondContact O-N 2.91Å; L364-V367 PolarHBondContact O-N 3.29Å; L364-L368 WeakPolarHBondContact O-CB 3.4Å; L364-L368 PolarHBondContact O-N 2.88Å
365	D	94.7	Very high	97.4	Very high	73 Å²	73	21.1 Å²	21.1	39%	0.39	10%	0.102	S	C	.	.	H	α-helix	trans	-61.7	-42.8	177.7	-83	-49.2	0	0	0	111.6	A343 E363 L368 H369	A343-D365 WeakPolarHBondContact CB-OD1 3.42Å; E363-D365 VanDerWaalsContact C-N 3.29Å; E363-D365 PolarHBondContact O-N 3.05Å; D365-L368 PolarHBondContact O-N 3.31Å; D365-H369 VanDerWaalsContact O-CB 3.28Å; D365-H369 WeakPolarHBondContact O-CB 3.13Å; D365-H369 PolarHBondContact O-N 3.4Å; D365-H369 PolarHBondContact O-ND1 3.36Å; D365-H369 IonicContact OD1-CE1 3.35Å
366	R	96.9	Very high	97.4	Very high	86 Å²	86	24.2 Å²	24.2	33%	0.325	12%	0.118	S	C	.	.	H	α-helix	trans	-63.3	-46.8	-180	-65.7	176.4	59.2	-150.5	2.9	110.9	F312 E314 E363 L364 F370	F312-R366 HydrophobicContact CE1-CB 3.99Å; E314-R366 IonicContact OE1-CZ 2.97Å; E314-R366 VanDerWaalsContact OE1-CZ 3.24Å; E314-R366 IonicContact OE1-NH1 2.73Å; E314-R366 PolarHBondContact OE1-NH1 3.29Å; E314-R366 IonicContact OE1-NH2 3.75Å; E314-R366 PolarHBondContact OE1-NH2 2.79Å; E363-R366 PolarHBondContact O-N 2.88Å; E363-R366 IonicContact OE1-NH1 3.3Å; E363-R366 PolarHBondContact OE1-NH1 3.09Å; E363-R366 WeakPolarHBondContact OE2-CD 3.26Å; E363-R366 IonicContact OE2-CZ 3.18Å; E363-R366 IonicContact OE2-NE 3.2Å; E363-R366 IonicContact OE2-NH1 2.95Å; E363-R366 PolarHBondContact OE2-NH1 3.36Å; L364-R366 VanDerWaalsContact C-N 3.35Å; L364-R366 PolarHBondContact O-N 2.91Å; R366-F370 WeakPolarHBondContact O-CB 3.35Å; R366-F370 PolarHBondContact O-N 3.06Å
367	V	98.4	Very high	97.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-45.2	179.1	-175.8	0	0	0	0	111	F312 Y322 L325 R326 I329 E363 L364 H369 F370 M371	F312-V367 HydrophobicContact CE1-CG2 4.5Å; F312-V367 HydrophobicContact CZ-CG2 4.39Å; Y322-V367 HydrophobicContact CD2-CG2 3.91Å; Y322-V367 HydrophobicContact CE2-CG1 3.95Å; Y322-V367 HydrophobicContact CE2-CG2 3.92Å; L325-V367 HydrophobicContact CD1-CG2 4.49Å; R326-V367 HydrophobicContact CB-CG1 4.35Å; I329-V367 HydrophobicContact CD1-CB 4.05Å; I329-V367 HydrophobicContact CD1-CG1 3.62Å; E363-V367 PolarHBondContact O-N 3.36Å; E363-V367 VanDerWaalsContact O-N 3.15Å; L364-V367 PolarHBondContact O-N 3.29Å; V367-H369 PolarHBondContact O-N 2.88Å; V367-F370 WeakPolarHBondContact O-CB 3Å; V367-F370 PolarHBondContact O-N 3.47Å; V367-M371 HydrophobicContact CG1-CG 4.38Å; V367-M371 HydrophobicContact CG1-SD 3.87Å; V367-M371 VanDerWaalsContact O-CG 3.25Å; V367-M371 WeakPolarHBondContact O-CG 3.35Å; V367-M371 PolarHBondContact O-N 2.93Å
368	L	98.4	Very high	97.5	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-43.7	179.4	-170.5	82.8	0	0	0	112.2	I329 L341 A343 L364 D365 M371 T372 I377	I329-L368 HydrophobicContact CD1-CB 4.48Å; I329-L368 HydrophobicContact CD1-CD1 4.42Å; I329-L368 HydrophobicContact CG1-CD1 4.33Å; I329-L368 HydrophobicContact CG2-CD1 3.78Å; L341-L368 HydrophobicContact CD2-CD1 4.27Å; L341-L368 HydrophobicContact CG-CD1 4.25Å; A343-L368 HydrophobicContact CB-CD2 4.21Å; A343-L368 VanDerWaalsContact N-CD2 3.32Å; L364-L368 WeakPolarHBondContact O-CB 3.4Å; L364-L368 PolarHBondContact O-N 2.88Å; D365-L368 PolarHBondContact O-N 3.31Å; L368-M371 PolarHBondContact O-N 3.08Å; L368-T372 VanDerWaalsContact O-CB 3.31Å; L368-T372 WeakPolarHBondContact O-CB 3.47Å; L368-T372 PolarHBondContact O-N 2.95Å; L368-T372 PolarHBondContact O-OG1 3.05Å; L368-I377 HydrophobicContact CD1-CD1 3.45Å; L368-I377 VanDerWaalsContact CD1-CD1 3.45Å; L368-I377 HydrophobicContact CG-CD1 4.12Å
369	H	98.1	Very high	97.5	Very high	29 Å²	29	23.8 Å²	23.8	13%	0.134	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-41.9	176.1	-67.6	135.8	0	0	0	111.6	D365 V367 T372 R373 L389 P390	D365-H369 VanDerWaalsContact O-CB 3.28Å; D365-H369 WeakPolarHBondContact O-CB 3.13Å; D365-H369 PolarHBondContact O-N 3.4Å; D365-H369 PolarHBondContact O-ND1 3.36Å; D365-H369 IonicContact OD1-CE1 3.35Å; V367-H369 PolarHBondContact O-N 2.88Å; H369-T372 PolarHBondContact O-N 2.87Å; H369-R373 VanDerWaalsContact O-CB 3.24Å; H369-R373 WeakPolarHBondContact O-CB 3.39Å; H369-R373 PolarHBondContact O-N 3.05Å; H369-L389 HydrophobicContact CB-CD2 4.04Å; H369-P390 WeakPolarHBondContact NE2-CD 3.34Å
370	F	98.5	Very high	97.7	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-51.4	174.4	166.7	-96.7	0	0	0	111.3	D307 E308 E311 F312 R366 V367 T372 R373 K374	D307-F370 HydrophobicContact CB-CZ 4.23Å; E308-F370 HydrophobicContact CG-CE1 3.87Å; E308-F370 HydrophobicContact CG-CZ 4Å; E311-F370 HydrophobicContact CB-CD2 3.82Å; E311-F370 HydrophobicContact CB-CE2 3.75Å; E311-F370 HydrophobicContact CG-CD2 3.58Å; E311-F370 HydrophobicContact CG-CE2 4.07Å; E311-F370 HydrophobicContact CG-CG 4.37Å; F312-F370 HydrophobicContact CE2-CB 3.91Å; F312-F370 AromaticContact CE2-CD1 3.88Å; F312-F370 HydrophobicContact CE2-CD1 3.88Å; F312-F370 HydrophobicContact CE2-CD2 4Å; F312-F370 HydrophobicContact CE2-CE1 4.42Å; F312-F370 AromaticContact CE2-CG 3.66Å; F312-F370 HydrophobicContact CE2-CG 3.66Å; F312-F370 HydrophobicContact CZ-CB 3.73Å; F312-F370 HydrophobicContact CZ-CG 4.03Å; R366-F370 WeakPolarHBondContact O-CB 3.35Å; R366-F370 PolarHBondContact O-N 3.06Å; V367-F370 WeakPolarHBondContact O-CB 3Å; V367-F370 PolarHBondContact O-N 3.47Å; F370-T372 VanDerWaalsContact C-N 3.34Å; F370-T372 PolarHBondContact O-N 3.05Å; F370-R373 VanDerWaalsContact CD2-NH2 3.35Å; F370-R373 PolarHBondContact O-N 3.13Å; F370-K374 HydrophobicContact CD2-CG 4.16Å; F370-K374 HydrophobicContact CE1-CG 4.31Å; F370-K374 HydrophobicContact CE2-CD 4.36Å; F370-K374 HydrophobicContact CE2-CG 3.81Å; F370-K374 HydrophobicContact CZ-CG 3.89Å; F370-K374 WeakPolarHBondContact O-CB 3.32Å; F370-K374 WeakPolarHBondContact O-CG 3.42Å; F370-K374 PolarHBondContact O-N 3.03Å
371	M	98.8	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-37.5	-178.5	-68	176.6	72.8	0	0	112.5	R326 I329 L330 V367 L368 G375 L376 I377	R326-M371 HydrophobicContact CB-SD 4.42Å; R326-M371 HydrophobicContact CG-CE 3.99Å; R326-M371 HydrophobicContact CG-SD 3.89Å; I329-M371 HydrophobicContact CB-CE 4.1Å; I329-M371 HydrophobicContact CB-SD 3.86Å; I329-M371 HydrophobicContact CD1-SD 3.84Å; I329-M371 HydrophobicContact CG2-CE 3.68Å; I329-M371 HydrophobicContact CG2-SD 3.57Å; I329-M371 VanDerWaalsContact CG2-SD 3.57Å; L330-M371 HydrophobicContact CB-CE 4.41Å; L330-M371 HydrophobicContact CD1-CE 4.35Å; L330-M371 HydrophobicContact CD2-CE 3.35Å; L330-M371 HydrophobicContact CG-CE 3.38Å; V367-M371 HydrophobicContact CG1-CG 4.38Å; V367-M371 HydrophobicContact CG1-SD 3.87Å; V367-M371 VanDerWaalsContact O-CG 3.25Å; V367-M371 WeakPolarHBondContact O-CG 3.35Å; V367-M371 PolarHBondContact O-N 2.93Å; L368-M371 PolarHBondContact O-N 3.08Å; M371-G375 PolarHBondContact O-N 3.45Å; M371-G375 VanDerWaalsContact O-N 3.14Å; M371-L376 HydrophobicContact CB-CB 4.37Å; M371-L376 HydrophobicContact CG-CD1 4.37Å; M371-L376 PolarHBondContact O-N 3.28Å; M371-I377 HydrophobicContact CB-CD1 3.84Å; M371-I377 HydrophobicContact CB-CG1 3.94Å; M371-I377 HydrophobicContact CE-CG2 4.01Å
372	T	98.6	Very high	97.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-65.6	-47.7	174.3	-61.9	0	0	0	0	110.9	L368 H369 F370 K374 G375 N378 L388 L389 F417	L368-T372 VanDerWaalsContact O-CB 3.31Å; L368-T372 WeakPolarHBondContact O-CB 3.47Å; L368-T372 PolarHBondContact O-N 2.95Å; L368-T372 PolarHBondContact O-OG1 3.05Å; H369-T372 PolarHBondContact O-N 2.87Å; F370-T372 VanDerWaalsContact C-N 3.34Å; F370-T372 PolarHBondContact O-N 3.05Å; T372-K374 VanDerWaalsContact C-N 3.34Å; T372-K374 PolarHBondContact O-N 2.91Å; T372-G375 WeakPolarHBondContact O-CA 3.32Å; T372-G375 PolarHBondContact O-N 3.01Å; T372-N378 HydrophobicContact CG2-CB 3.95Å; T372-N378 PolarHBondContact OG1-ND2 3.37Å; T372-N378 VanDerWaalsContact OG1-ND2 3.11Å; T372-L388 HydrophobicContact CG2-CB 3.93Å; T372-L388 HydrophobicContact CG2-CD1 3.9Å; T372-L389 HydrophobicContact CG2-CD2 4.11Å; T372-F417 HydrophobicContact CG2-CD1 4.46Å; T372-F417 HydrophobicContact CG2-CE1 3.87Å; T372-F417 WeakPolarHBondContact O-CZ 3.32Å
373	R	98.1	Very high	97.1	Very high	13 Å²	13	23.5 Å²	23.5	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-42.9	178	-175.4	-170.5	68.7	-160.5	0.2	111.8	E311 H369 F370 G375 L389 S829 A832	E311-R373 IonicContact OE1-CZ 2.83Å; E311-R373 IonicContact OE1-NH1 3.81Å; E311-R373 PolarHBondContact OE1-NH1 2.65Å; E311-R373 IonicContact OE1-NH2 2.77Å; E311-R373 PolarHBondContact OE1-NH2 3.01Å; E311-R373 IonicContact OE2-CZ 3.23Å; E311-R373 IonicContact OE2-NH1 2.99Å; E311-R373 PolarHBondContact OE2-NH1 3.32Å; E311-R373 IonicContact OE2-NH2 2.71Å; E311-R373 PolarHBondContact OE2-NH2 2.84Å; H369-R373 VanDerWaalsContact O-CB 3.24Å; H369-R373 WeakPolarHBondContact O-CB 3.39Å; H369-R373 PolarHBondContact O-N 3.05Å; F370-R373 VanDerWaalsContact CD2-NH2 3.35Å; F370-R373 PolarHBondContact O-N 3.13Å; R373-G375 PolarHBondContact O-N 3.47Å; R373-L389 HydrophobicContact CB-CD1 3.98Å; R373-L389 HydrophobicContact CG-CD1 4.19Å; R373-S829 WeakPolarHBondContact O-CA 3.38Å; R373-S829 WeakPolarHBondContact O-CB 3.39Å; R373-S829 PolarHBondContact O-OG 3.29Å; R373-A832 HydrophobicContact CG-CB 4.34Å
374	K	98.4	Very high	97	Very high	61 Å²	61	23.1 Å²	23.1	27%	0.265	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.3	176.3	-70	-75.3	-177.6	173.9	0	113.2	D307 F370 T372 L376	D307-K374 VanDerWaalsContact CG-NZ 3.27Å; D307-K374 IonicContact OD1-NZ 3.99Å; D307-K374 WeakPolarHBondContact OD2-CE 3.46Å; D307-K374 IonicContact OD2-NZ 3.17Å; D307-K374 PolarHBondContact OD2-NZ 3.29Å; F370-K374 HydrophobicContact CD2-CG 4.16Å; F370-K374 HydrophobicContact CE1-CG 4.31Å; F370-K374 HydrophobicContact CE2-CD 4.36Å; F370-K374 HydrophobicContact CE2-CG 3.81Å; F370-K374 HydrophobicContact CZ-CG 3.89Å; F370-K374 WeakPolarHBondContact O-CB 3.32Å; F370-K374 WeakPolarHBondContact O-CG 3.42Å; F370-K374 PolarHBondContact O-N 3.03Å; T372-K374 VanDerWaalsContact C-N 3.34Å; T372-K374 PolarHBondContact O-N 2.91Å; K374-L376 HydrophobicContact CB-CG 4.35Å
375	G	98.3	Very high	96.7	Very high	13 Å²	13	33.7 Å²	33.7	13%	0.134	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	23.6	177.4	0	0	0	0	0	115	M371 T372 R373 T379	M371-G375 PolarHBondContact O-N 3.45Å; M371-G375 VanDerWaalsContact O-N 3.14Å; T372-G375 WeakPolarHBondContact O-CA 3.32Å; T372-G375 PolarHBondContact O-N 3.01Å; R373-G375 PolarHBondContact O-N 3.47Å; G375-T379 WeakPolarHBondContact O-CG2 3.42Å
376	L	98.7	Very high	96.6	Very high	65 Å²	65	37.7 Å²	37.7	34%	0.34	19%	0.188	S	C	.	.	S	Bend	trans	-79.1	-26.1	175.9	-63.3	177.4	0	0	0	112.7	L330 M371 K374	L330-L376 HydrophobicContact CD2-CB 4.34Å; M371-L376 HydrophobicContact CB-CB 4.37Å; M371-L376 HydrophobicContact CG-CD1 4.37Å; M371-L376 PolarHBondContact O-N 3.28Å; K374-L376 HydrophobicContact CB-CG 4.35Å
377	I	98.8	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-140.6	172.1	178.7	65.4	177.1	0	0	0	109.4	I329 L330 W333 L341 L368 M371 T379	I329-I377 HydrophobicContact CG2-CD1 3.47Å; I329-I377 VanDerWaalsContact CG2-CD1 3.47Å; I329-I377 HydrophobicContact CG2-CG2 4.16Å; L330-I377 HydrophobicContact CD2-CG2 4.05Å; W333-I377 HydrophobicContact CB-CB 4.12Å; W333-I377 HydrophobicContact CB-CG2 3.62Å; W333-I377 HydrophobicContact CD2-CB 4Å; W333-I377 HydrophobicContact CD2-CG2 4.37Å; W333-I377 HydrophobicContact CE3-CB 4.39Å; W333-I377 HydrophobicContact CG-CB 3.84Å; W333-I377 HydrophobicContact CG-CG2 3.68Å; L341-I377 HydrophobicContact CD2-CD1 4.43Å; L368-I377 HydrophobicContact CD1-CD1 3.45Å; L368-I377 VanDerWaalsContact CD1-CD1 3.45Å; L368-I377 HydrophobicContact CG-CD1 4.12Å; M371-I377 HydrophobicContact CB-CD1 3.84Å; M371-I377 HydrophobicContact CB-CG1 3.94Å; M371-I377 HydrophobicContact CE-CG2 4.01Å; I377-T379 PolarHBondContact O-N 2.92Å; I377-T379 VanDerWaalsContact O-N 3.08Å
378	N	98.6	Very high	96.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.196	C	C	.	.	S	Bend	trans	51.5	36	176.8	-65.3	-33.1	0	0	0	112.5	L341 T372 L382 L388	L341-N378 WeakPolarHBondContact CB-OD1 3.43Å; L341-N378 PolarHBondContact N-OD1 2.99Å; L341-N378 PolarHBondContact O-ND2 2.71Å; T372-N378 HydrophobicContact CG2-CB 3.95Å; T372-N378 PolarHBondContact OG1-ND2 3.37Å; T372-N378 VanDerWaalsContact OG1-ND2 3.11Å; N378-L382 HydrophobicContact CB-CD2 4.41Å; N378-L388 HydrophobicContact CB-CD1 3.81Å
379	T	98.7	Very high	96.4	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	20%	0.195	C	C	.	.			trans	-122.6	-174.3	-171.1	-168.6	0	0	0	0	110.7	W333 G375 I377 Q413 L461 Q465 Y821	W333-T379 HydrophobicContact CZ2-CG2 4.31Å; G375-T379 WeakPolarHBondContact O-CG2 3.42Å; I377-T379 PolarHBondContact O-N 2.92Å; I377-T379 VanDerWaalsContact O-N 3.08Å; T379-Q413 PolarHBondContact OG1-NE2 3.21Å; T379-L461 HydrophobicContact CG2-CD2 3.76Å; T379-Q465 PolarHBondContact O-NE2 3.04Å; T379-Y821 PolarHBondContact OG1-OH 3.04Å; T379-Y821 VanDerWaalsContact OG1-OH 3.07Å
380	G	98.4	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-142.4	-176.5	0	0	0	0	0	111.9	L382 L598 Y821	G380-L382 PolarHBondContact O-N 3.3Å; G380-L598 WeakPolarHBondContact O-CD2 3.22Å; G380-Y821 VanDerWaalsContact CA-OH 3.26Å; G380-Y821 WeakPolarHBondContact CA-OH 3.44Å; G380-Y821 PolarHBondContact N-OH 3.03Å
381	V	98	Very high	95.9	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	13.5	-178.7	-67.1	0	0	0	0	113.5	A383 M462 Q465 M466 K597 L598	V381-A383 PolarHBondContact O-N 3.09Å; V381-M462 HydrophobicContact CG1-CB 4.08Å; V381-M462 HydrophobicContact CG1-CG 3.89Å; V381-M462 HydrophobicContact CG1-SD 3.71Å; V381-M462 HydrophobicContact CG2-CB 4.44Å; V381-M462 HydrophobicContact CG2-CG 4.49Å; V381-Q465 HydrophobicContact CG2-CB 3.6Å; V381-Q465 HydrophobicContact CG2-CG 4.41Å; V381-M466 HydrophobicContact CG1-SD 4.14Å; V381-M466 HydrophobicContact CG2-CG 3.78Å; V381-M466 HydrophobicContact CG2-SD 4.16Å; V381-K597 HydrophobicContact CB-CB 4.28Å; V381-K597 HydrophobicContact CB-CG 3.65Å; V381-K597 HydrophobicContact CG1-CB 3.9Å; V381-K597 HydrophobicContact CG1-CG 3.85Å; V381-K597 HydrophobicContact CG2-CG 4.29Å; V381-L598 HydrophobicContact CG1-CD2 4Å; V381-L598 HydrophobicContact CG1-CG 4.1Å
382	L	95.6	Very high	95.6	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.063	26%	0.263	C	S	.	.			trans	-61.8	120.1	-177.3	-170.5	69.5	0	0	0	111.1	W333 K338 V340 N378 G380 V384 N416	W333-L382 HydrophobicContact CH2-CD2 4.06Å; W333-L382 HydrophobicContact CZ3-CD2 4.15Å; K338-L382 WeakPolarHBondContact O-CD1 3.27Å; V340-L382 HydrophobicContact CB-CD2 4.44Å; V340-L382 HydrophobicContact CG2-CD2 3.77Å; V340-L382 HydrophobicContact CG2-CG 4.33Å; N378-L382 HydrophobicContact CB-CD2 4.41Å; G380-L382 PolarHBondContact O-N 3.3Å; L382-V384 HydrophobicContact CD2-CG1 4.44Å; L382-V384 HydrophobicContact CG-CG1 4.36Å; L382-N416 PolarHBondContact O-ND2 3.32Å
383	A	84.1	Confident	95	Very high	68 Å²	68	53.2 Å²	53.2	56%	0.562	27%	0.266	S	S	*	.			trans	-88.7	133.4	173.1	0	0	0	0	0	110.2	V381	V381-A383 PolarHBondContact O-N 3.09Å
384	V	93.6	Very high	94.5	Very high	31 Å²	31	56.9 Å²	56.9	19%	0.188	28%	0.28	C	S	.	.			trans	-122.9	141.1	-175.9	-48.4	0	0	0	0	110.8	V340 L382 Q386 L388 N416	V340-V384 HydrophobicContact CG2-CG1 3.93Å; L382-V384 HydrophobicContact CD2-CG1 4.44Å; L382-V384 HydrophobicContact CG-CG1 4.36Å; V384-Q386 WeakPolarHBondContact CG2-O 3.36Å; V384-L388 HydrophobicContact CB-CD2 4.33Å; V384-L388 HydrophobicContact CB-CG 4.48Å; V384-L388 HydrophobicContact CG1-CD1 4.09Å; V384-L388 HydrophobicContact CG1-CD2 3.81Å; V384-L388 HydrophobicContact CG1-CG 3.95Å; V384-L388 HydrophobicContact CG2-CG 4.46Å; V384-N416 HydrophobicContact CG1-CB 4.4Å; V384-N416 HydrophobicContact CG2-CB 3.97Å; V384-N416 WeakPolarHBondContact CG2-OD1 3.44Å
385	K	89.6	Confident	93.5	Very high	221 Å²	221	54.6 Å²	54.6	96%	0.961	27%	0.272	S	S	*	.	S	Bend	trans	-91.4	-25.4	176.7	-65.2	-177.2	179.8	179.7	0	112.8
386	Q	92.9	Very high	92.7	Very high	157 Å²	157	61.9 Å²	61.9	73%	0.734	30%	0.3	S	S	*	.	S	Bend	trans	-125.5	147.7	179.2	-66.3	-174.4	-4.3	0	0	108.8	V384 L388	V384-Q386 WeakPolarHBondContact CG2-O 3.36Å; Q386-L388 PolarHBondContact O-N 3.45Å
387	P	95.9	Very high	92.5	Very high	59 Å²	59	61.3 Å²	61.3	38%	0.383	30%	0.295	S	S	.	.			trans	-54.9	131.5	174.1	-27.4	36.5	0	0	0	111.7	L389 R394 N416	P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 2.79Å; P387-R394 VanDerWaalsContact CB-NH2 3.33Å; P387-N416 CarbonylContact C-O 3.31Å; P387-N416 WeakPolarHBondContact CA-O 3.44Å
388	L	96.8	Very high	92.4	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.11	30%	0.295	C	S	.	.	S	Bend	trans	-73.5	-20.8	178.6	-64.2	-178.1	0	0	0	113.5	V340 T372 N378 V384 Q386 N416 F417	V340-L388 HydrophobicContact CB-CD2 4.46Å; V340-L388 HydrophobicContact CG1-CD2 3.5Å; V340-L388 VanDerWaalsContact CG1-CD2 3.5Å; V340-L388 HydrophobicContact CG2-CD2 4.04Å; T372-L388 HydrophobicContact CG2-CB 3.93Å; T372-L388 HydrophobicContact CG2-CD1 3.9Å; N378-L388 HydrophobicContact CB-CD1 3.81Å; V384-L388 HydrophobicContact CB-CD2 4.33Å; V384-L388 HydrophobicContact CB-CG 4.48Å; V384-L388 HydrophobicContact CG1-CD1 4.09Å; V384-L388 HydrophobicContact CG1-CD2 3.81Å; V384-L388 HydrophobicContact CG1-CG 3.95Å; V384-L388 HydrophobicContact CG2-CG 4.46Å; Q386-L388 PolarHBondContact O-N 3.45Å; L388-N416 HydrophobicContact CD1-CB 3.81Å; L388-N416 HydrophobicContact CG-CB 4.24Å; L388-N416 PolarHBondContact N-O 3.27Å; L388-F417 HydrophobicContact CB-CD1 4.41Å
389	L	96.1	Very high	92.4	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	29%	0.294	C	S	.	.	S	Bend	trans	-116	147	179.9	-62.2	-176.3	0	0	0	111.4	H369 T372 R373 P387 Y393 R394 F417	H369-L389 HydrophobicContact CB-CD2 4.04Å; T372-L389 HydrophobicContact CG2-CD2 4.11Å; R373-L389 HydrophobicContact CB-CD1 3.98Å; R373-L389 HydrophobicContact CG-CD1 4.19Å; P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 2.79Å; L389-Y393 HydrophobicContact CB-CD2 4.06Å; L389-Y393 HydrophobicContact CB-CG 4.23Å; L389-Y393 HydrophobicContact CD1-CG 4.18Å; L389-R394 PolarHBondContact O-NE 2.8Å; L389-R394 PolarHBondContact O-NH2 3.08Å; L389-F417 HydrophobicContact CB-CB 4.33Å; L389-F417 HydrophobicContact CD1-CB 3.92Å; L389-F417 HydrophobicContact CD1-CD1 3.68Å; L389-F417 HydrophobicContact CD1-CD2 3.77Å; L389-F417 HydrophobicContact CD1-CE1 4.12Å; L389-F417 HydrophobicContact CD1-CE2 4.18Å; L389-F417 HydrophobicContact CD1-CG 3.5Å; L389-F417 HydrophobicContact CD1-CZ 4.35Å; L389-F417 HydrophobicContact CG-CB 4.17Å; L389-F417 HydrophobicContact CG-CD1 3.75Å; L389-F417 HydrophobicContact CG-CE1 4.34Å; L389-F417 HydrophobicContact CG-CG 3.95Å
390	P	94.6	Very high	92.4	Very high	44 Å²	44	60.8 Å²	60.8	29%	0.286	29%	0.291	S	S	.	.			trans	-55.8	156.8	170.8	-26	33	0	0	0	112.6	H369 R392 Y393	H369-P390 WeakPolarHBondContact NE2-CD 3.34Å; P390-R392 HydrophobicContact CB-CG 4.34Å; P390-R392 PolarHBondContact O-N 3.27Å; P390-R392 VanDerWaalsContact O-N 3.07Å; P390-Y393 HydrophobicContact CB-CD2 4.09Å; P390-Y393 HydrophobicContact CB-CE2 4.28Å; P390-Y393 HydrophobicContact CG-CD2 4.17Å; P390-Y393 HydrophobicContact CG-CE2 4.03Å; P390-Y393 PolarHBondContact O-N 3.33Å
391	E	92.2	Very high	92.5	Very high	151 Å²	151	61 Å²	61	71%	0.706	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-55.5	-32.2	-174.6	-171.2	171.4	-173.5	0	0	114	Y393 R394	E391-Y393 PolarHBondContact O-N 2.96Å; E391-Y393 VanDerWaalsContact O-N 3.13Å; E391-R394 WeakPolarHBondContact O-CB 3.44Å; E391-R394 PolarHBondContact O-N 2.68Å
392	R	91.1	Very high	92.5	Very high	158 Å²	158	61 Å²	61	60%	0.596	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.2	-27.6	177.6	70	-175	-178.6	-158.5	-0.1	114.4	P390 V834	P390-R392 HydrophobicContact CB-CG 4.34Å; P390-R392 PolarHBondContact O-N 3.27Å; P390-R392 VanDerWaalsContact O-N 3.07Å; R392-V834 HydrophobicContact CG-CG2 4.43Å; R392-V834 WeakPolarHBondContact O-CG2 3.38Å
393	Y	87.3	Confident	92.7	Very high	20 Å²	20	60.4 Å²	60.4	8%	0.078	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-87.3	-5.8	179.1	-61.5	-82.5	0	0	0	113.2	L389 P390 E391 S395 A832 V834	L389-Y393 HydrophobicContact CB-CD2 4.06Å; L389-Y393 HydrophobicContact CB-CG 4.23Å; L389-Y393 HydrophobicContact CD1-CG 4.18Å; P390-Y393 HydrophobicContact CB-CD2 4.09Å; P390-Y393 HydrophobicContact CB-CE2 4.28Å; P390-Y393 HydrophobicContact CG-CD2 4.17Å; P390-Y393 HydrophobicContact CG-CE2 4.03Å; P390-Y393 PolarHBondContact O-N 3.33Å; E391-Y393 PolarHBondContact O-N 2.96Å; E391-Y393 VanDerWaalsContact O-N 3.13Å; Y393-S395 PolarHBondContact O-N 3.02Å; Y393-A832 WeakPolarHBondContact CD1-O 3.29Å; Y393-V834 HydrophobicContact CD1-CG2 3.67Å; Y393-V834 HydrophobicContact CE1-CG2 4.03Å; Y393-V834 HydrophobicContact CG-CG2 4.21Å
394	R	86.4	Confident	93.4	Very high	90 Å²	90	58 Å²	58	34%	0.34	27%	0.273	S	S	.	.			trans	-83.9	115.3	-173.4	-59.5	-178.2	-167.4	156.8	8.3	109.6	P387 L389 E391 F417	P387-R394 VanDerWaalsContact CB-NH2 3.33Å; L389-R394 PolarHBondContact O-NE 2.8Å; L389-R394 PolarHBondContact O-NH2 3.08Å; E391-R394 WeakPolarHBondContact O-CB 3.44Å; E391-R394 PolarHBondContact O-N 2.68Å; R394-F417 WeakPolarHBondContact CG-O 3.45Å
395	S	78.8	Confident	93.6	Very high	13 Å²	13	57 Å²	57	9%	0.091	27%	0.268	C	S	.	.			trans	-66.1	143.6	161.3	-74.9	0	0	0	0	108.7	Y393 T419 M831	Y393-S395 PolarHBondContact O-N 3.02Å; S395-T419 PolarHBondContact N-OG1 3.05Å; S395-T419 WeakPolarHBondContact O-CG2 3.46Å; S395-M831 PolarHBondContact OG-O 3.07Å
396	K	80.2	Confident	94.1	Very high	166 Å²	166	46.7 Å²	46.7	72%	0.722	22%	0.224	S	C	*	.	S	Bend	trans	-66.1	-44.3	-177.4	-66.2	-171.8	177.1	-178.9	0	111.5	Q420	K396-Q420 WeakPolarHBondContact O-CB 3.28Å
397	K	94.3	Very high	94.3	Very high	52 Å²	52	39.2 Å²	39.2	23%	0.226	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	135.1	-179.4	-170.3	175.4	175.1	-162.6	0	111.5	Q420 T631 A632 Q633	K397-Q420 CarbonylContact C-O 3.43Å; K397-Q420 WeakPolarHBondContact CA-O 3.47Å; K397-T631 WeakPolarHBondContact CD-O 3.43Å; K397-T631 VanDerWaalsContact CE-O 3.25Å; K397-T631 WeakPolarHBondContact CE-O 3.33Å; K397-T631 PolarHBondContact NZ-O 3.46Å; K397-A632 HydrophobicContact CB-CB 4.45Å; K397-A632 HydrophobicContact CG-CB 4.2Å; K397-A632 WeakPolarHBondContact O-CB 3.44Å; K397-Q633 PolarHBondContact O-N 2.86Å; K397-Q633 VanDerWaalsContact O-N 3.12Å
398	V	97.9	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.3	177.8	172.9	0	0	0	0	110.1	V400 L414 T419 Q420 V421 V422 K634 M831	V398-V400 HydrophobicContact CG1-CG2 4.13Å; V398-L414 HydrophobicContact CB-CD1 4.31Å; V398-L414 HydrophobicContact CG1-CD1 3.9Å; V398-L414 HydrophobicContact CG2-CD1 4.37Å; V398-T419 HydrophobicContact CB-CG2 4.19Å; V398-T419 HydrophobicContact CG2-CG2 3.7Å; V398-Q420 PolarHBondContact N-O 3.37Å; V398-V421 WeakPolarHBondContact O-CA 3.46Å; V398-V422 PolarHBondContact O-N 3.38Å; V398-K634 WeakPolarHBondContact CA-O 3.43Å; V398-K634 HydrophobicContact CG2-CB 4.37Å; V398-M831 HydrophobicContact CB-CE 4.23Å; V398-M831 HydrophobicContact CG1-CE 3.3Å; V398-M831 HydrophobicContact CG1-SD 4.35Å; V398-M831 HydrophobicContact CG2-CE 3.87Å
399	I	98.8	Very high	94.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.3	167.5	-66.5	157.5	0	0	0	108.6	I401 V422 L424 V622 W630 A632 K634 V635 L636	I399-I401 HydrophobicContact CG2-CG1 4.17Å; I399-V422 WeakPolarHBondContact CA-O 3.38Å; I399-L424 HydrophobicContact CG2-CD1 3.84Å; I399-L424 HydrophobicContact CG2-CG 4.12Å; I399-V622 HydrophobicContact CB-CG2 4.46Å; I399-V622 HydrophobicContact CD1-CB 4.11Å; I399-V622 HydrophobicContact CD1-CG2 3.72Å; I399-V622 HydrophobicContact CG2-CG2 4.14Å; I399-W630 HydrophobicContact CD1-CB 3.47Å; I399-W630 VanDerWaalsContact CD1-CB 3.47Å; I399-W630 HydrophobicContact CG1-CB 4.22Å; I399-A632 HydrophobicContact CB-CB 4.37Å; I399-A632 HydrophobicContact CD1-CB 3.57Å; I399-A632 HydrophobicContact CG1-CB 3.68Å; I399-K634 PolarHBondContact N-O 2.92Å; I399-K634 VanDerWaalsContact N-O 3.14Å; I399-V635 HydrophobicContact CB-CG2 4.17Å; I399-V635 HydrophobicContact CG2-CG2 4.16Å; I399-V635 CarbonylContact O-C 3.58Å; I399-V635 VanDerWaalsContact O-CA 3.27Å; I399-V635 WeakPolarHBondContact O-CA 3.25Å; I399-L636 PolarHBondContact O-N 3.28Å
400	V	98.9	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.1	172.6	179.6	0	0	0	0	108.4	V398 A411 V421 V422 L423 L424 L636 T638	V398-V400 HydrophobicContact CG1-CG2 4.13Å; V400-A411 HydrophobicContact CG2-CB 4.48Å; V400-V421 HydrophobicContact CG2-CG1 3.8Å; V400-V422 PolarHBondContact N-O 3.13Å; V400-L423 HydrophobicContact CB-CD1 3.74Å; V400-L423 HydrophobicContact CB-CG 3.81Å; V400-L423 HydrophobicContact CG1-CD1 3.8Å; V400-L423 HydrophobicContact CG1-CG 3.92Å; V400-L423 HydrophobicContact CG2-CD1 4.32Å; V400-L423 CarbonylContact O-C 3.54Å; V400-L423 WeakPolarHBondContact O-CA 3.38Å; V400-L424 PolarHBondContact O-N 3.01Å; V400-L636 CarbonylContact C-O 3.53Å; V400-L636 WeakPolarHBondContact CA-O 3.31Å; V400-L636 HydrophobicContact CG1-CD2 4.25Å; V400-L636 HydrophobicContact CG2-CB 4.24Å; V400-L636 HydrophobicContact CG2-CD2 4.33Å; V400-T638 HydrophobicContact CG1-CG2 4.33Å
401	I	98.9	Very high	94.9	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.2	-178.6	-56.6	172.2	0	0	0	108.5	I399 V610 I613 V622 V635 L636 V637 T638 V639 I649	I399-I401 HydrophobicContact CG2-CG1 4.17Å; I401-V610 HydrophobicContact CD1-CB 4.31Å; I401-V610 HydrophobicContact CD1-CG1 3.95Å; I401-V610 HydrophobicContact CD1-CG2 4.07Å; I401-V610 HydrophobicContact CG1-CG2 4.05Å; I401-V610 HydrophobicContact CG2-CB 4.09Å; I401-V610 HydrophobicContact CG2-CG2 3.88Å; I401-I613 HydrophobicContact CD1-CD1 3.41Å; I401-I613 VanDerWaalsContact CD1-CD1 3.41Å; I401-I613 HydrophobicContact CD1-CG1 4Å; I401-V622 HydrophobicContact CD1-CG1 4.12Å; I401-V635 HydrophobicContact CD1-CG2 3.66Å; I401-V635 HydrophobicContact CG1-CG2 4.08Å; I401-L636 PolarHBondContact N-O 3.49Å; I401-V637 HydrophobicContact CD1-CG2 4.35Å; I401-T638 WeakPolarHBondContact O-CA 3.45Å; I401-T638 WeakPolarHBondContact O-CB 3.39Å; I401-T638 PolarHBondContact O-N 3Å; I401-T638 PolarHBondContact O-OG1 2.99Å; I401-V639 HydrophobicContact CG2-CG1 3.84Å; I401-I649 HydrophobicContact CG2-CD1 4.41Å
402	G	98.8	Very high	95.2	Very high	9 Å²	9	26.6 Å²	26.6	9%	0.093	12%	0.12	C	C	.	.			trans	97.9	127.3	-173.8	0	0	0	0	0	113.1	G407 L423 L424 E425 T638	G402-G407 WeakPolarHBondContact O-CA 3.45Å; G402-L423 VanDerWaalsContact O-CD2 3.31Å; G402-L423 WeakPolarHBondContact O-CD2 3.4Å; G402-L424 PolarHBondContact N-O 3.11Å; G402-E425 WeakPolarHBondContact CA-OE2 3.21Å; G402-T638 PolarHBondContact O-OG1 3.44Å; G402-T638 VanDerWaalsContact O-OG1 3.13Å
403	A	98.8	Very high	95.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.			trans	-102.8	33.5	177.6	0	0	0	0	0	113.3	L408 L423 E425 I430 G431 I604	A403-L408 HydrophobicContact CB-CD2 4.42Å; A403-L408 WeakPolarHBondContact O-CD1 3.43Å; A403-L423 HydrophobicContact CB-CD2 3.33Å; A403-E425 HydrophobicContact CB-CB 3.78Å; A403-E425 HydrophobicContact CB-CG 3.92Å; A403-E425 PolarHBondContact N-OE2 3.37Å; A403-I430 HydrophobicContact CB-CB 3.92Å; A403-I430 HydrophobicContact CB-CG2 3.68Å; A403-G431 PolarHBondContact O-N 2.9Å; A403-I604 HydrophobicContact CB-CG2 4.47Å
404	G	98.8	Very high	96.1	Very high	17 Å²	17	18.2 Å²	18.2	18%	0.175	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-78	-175.9	166.1	0	0	0	0	0	112.4	A406 G407 L408	G404-A406 VanDerWaalsContact C-N 3.28Å; G404-A406 PolarHBondContact O-N 3.22Å; G404-G407 PolarHBondContact O-N 2.74Å; G404-L408 WeakPolarHBondContact O-CB 3.48Å; G404-L408 WeakPolarHBondContact O-CG 3.3Å; G404-L408 PolarHBondContact O-N 3.29Å
405	A	98.9	Very high	96.6	Very high	9 Å²	9	17 Å²	17	7%	0.074	9%	0.087	C	C	.	.	H	α-helix	trans	-53.5	-41	-179.2	0	0	0	0	0	113.7	A409 L595 V817 A820	A405-A409 WeakPolarHBondContact O-CB 3.26Å; A405-A409 PolarHBondContact O-N 3.11Å; A405-L595 HydrophobicContact CB-CD1 4.42Å; A405-L595 HydrophobicContact CB-CD2 4.03Å; A405-V817 HydrophobicContact CB-CG1 3.81Å; A405-A820 HydrophobicContact CB-CB 4.06Å
406	A	98.9	Very high	97.4	Very high	6 Å²	6	16.3 Å²	16.3	5%	0.05	8%	0.082	C	C	.	.	H	α-helix	trans	-65.3	-49.9	178.3	0	0	0	0	0	112.9	G404 A409 A410 T638 A805 A820 G824	G404-A406 VanDerWaalsContact C-N 3.28Å; G404-A406 PolarHBondContact O-N 3.22Å; A406-A409 PolarHBondContact O-N 3.33Å; A406-A410 PolarHBondContact O-N 3.01Å; A406-T638 HydrophobicContact CB-CG2 4.27Å; A406-A805 HydrophobicContact CB-CB 4.15Å; A406-A820 VanDerWaalsContact CA-O 3.23Å; A406-A820 WeakPolarHBondContact CA-O 3.5Å; A406-A820 HydrophobicContact CB-CB 4.16Å; A406-A820 VanDerWaalsContact CB-O 3.25Å; A406-A820 WeakPolarHBondContact CB-O 3.3Å; A406-G824 WeakPolarHBondContact O-CA 3.48Å
407	G	98.9	Very high	98.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65	-43	180	0	0	0	0	0	112.5	G402 G404 A410 A411	G402-G407 WeakPolarHBondContact O-CA 3.45Å; G404-G407 PolarHBondContact O-N 2.74Å; G407-A410 PolarHBondContact O-N 3.02Å; G407-A411 VanDerWaalsContact O-CB 3.26Å; G407-A411 WeakPolarHBondContact O-CB 3.24Å; G407-A411 PolarHBondContact O-N 2.98Å
408	L	98.9	Very high	98.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.7	-40.2	176.9	-68.2	175.7	0	0	0	112.3	A403 G404 A411 R412 L423 I430 L595 L598 A599 L602 I604	A403-L408 HydrophobicContact CB-CD2 4.42Å; A403-L408 WeakPolarHBondContact O-CD1 3.43Å; G404-L408 WeakPolarHBondContact O-CB 3.48Å; G404-L408 WeakPolarHBondContact O-CG 3.3Å; G404-L408 PolarHBondContact O-N 3.29Å; L408-A411 PolarHBondContact O-N 2.89Å; L408-R412 VanDerWaalsContact O-CB 3.27Å; L408-R412 WeakPolarHBondContact O-CB 3.47Å; L408-R412 PolarHBondContact O-N 3.11Å; L408-L423 HydrophobicContact CD2-CD2 4.44Å; L408-I430 HydrophobicContact CD1-CD1 4.23Å; L408-L595 HydrophobicContact CD1-CB 3.84Å; L408-L595 HydrophobicContact CD1-CD1 4.37Å; L408-L595 HydrophobicContact CD1-CD2 4.44Å; L408-L595 HydrophobicContact CD1-CG 4.44Å; L408-L598 HydrophobicContact CB-CB 4.18Å; L408-L598 HydrophobicContact CB-CD1 4.46Å; L408-A599 HydrophobicContact CD2-CB 3.85Å; L408-L602 HydrophobicContact CD2-CD1 4.17Å; L408-I604 HydrophobicContact CD2-CD1 3.9Å
409	A	98.9	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-49.3	175.2	0	0	0	0	0	111.4	A405 A406 A411 R412 Q413 Y821 V825	A405-A409 WeakPolarHBondContact O-CB 3.26Å; A405-A409 PolarHBondContact O-N 3.11Å; A406-A409 PolarHBondContact O-N 3.33Å; A409-A411 PolarHBondContact O-N 3.37Å; A409-R412 PolarHBondContact O-N 3.01Å; A409-Q413 VanDerWaalsContact O-CG 3.32Å; A409-Q413 WeakPolarHBondContact O-CG 3.34Å; A409-Q413 PolarHBondContact O-N 3.36Å; A409-Y821 HydrophobicContact CB-CD2 3.44Å; A409-Y821 VanDerWaalsContact CB-CD2 3.44Å; A409-Y821 HydrophobicContact CB-CE2 3.75Å; A409-Y821 HydrophobicContact CB-CG 4.01Å; A409-Y821 WeakPolarHBondContact CB-O 3.46Å; A409-V825 HydrophobicContact CB-CG2 4.43Å
410	A	98.8	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-44.6	178.6	0	0	0	0	0	112	A406 G407 Q413 L414 L636 G824	A406-A410 PolarHBondContact O-N 3.01Å; G407-A410 PolarHBondContact O-N 3.02Å; A410-Q413 PolarHBondContact O-N 2.86Å; A410-L414 WeakPolarHBondContact O-CB 3.26Å; A410-L414 VanDerWaalsContact O-CG 3.3Å; A410-L414 WeakPolarHBondContact O-CG 3.4Å; A410-L414 PolarHBondContact O-N 3.28Å; A410-L636 HydrophobicContact CB-CD2 3.26Å; A410-G824 WeakPolarHBondContact CA-O 3.46Å; A410-G824 WeakPolarHBondContact CB-O 3.27Å
411	A	98.6	Very high	97.9	Very high	1 Å²	1	14 Å²	14	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-68.2	-40.4	-178.7	0	0	0	0	0	113.1	V400 G407 L408 A409 Q415 V421 L423 L602	V400-A411 HydrophobicContact CG2-CB 4.48Å; G407-A411 VanDerWaalsContact O-CB 3.26Å; G407-A411 WeakPolarHBondContact O-CB 3.24Å; G407-A411 PolarHBondContact O-N 2.98Å; L408-A411 PolarHBondContact O-N 2.89Å; A409-A411 PolarHBondContact O-N 3.37Å; A411-Q415 VanDerWaalsContact O-CB 3.24Å; A411-Q415 WeakPolarHBondContact O-CB 3.48Å; A411-Q415 PolarHBondContact O-N 3.11Å; A411-V421 HydrophobicContact CB-CG1 3.79Å; A411-L423 HydrophobicContact CB-CD1 3.16Å; A411-L602 HydrophobicContact CB-CD1 3.74Å; A411-L602 HydrophobicContact CB-CD2 4.49Å
412	R	98.6	Very high	97.9	Very high	12 Å²	12	14 Å²	14	5%	0.045	8%	0.084	C	C	.	.	H	α-helix	trans	-58.1	-47.5	172	177.7	72.2	-91.6	160.5	-3.6	111.1	L408 A409 Q415 N416 L598 E600	L408-R412 VanDerWaalsContact O-CB 3.27Å; L408-R412 WeakPolarHBondContact O-CB 3.47Å; L408-R412 PolarHBondContact O-N 3.11Å; A409-R412 PolarHBondContact O-N 3.01Å; R412-Q415 VanDerWaalsContact CZ-OE1 3.25Å; R412-N416 PolarHBondContact NE-ND2 3.16Å; R412-N416 PolarHBondContact NE-OD1 3.11Å; R412-N416 PolarHBondContact NH2-OD1 3.05Å; R412-N416 VanDerWaalsContact O-CB 3.3Å; R412-N416 WeakPolarHBondContact O-CB 3.37Å; R412-N416 PolarHBondContact O-N 3.23Å; R412-N416 PolarHBondContact O-OD1 3.46Å; R412-L598 HydrophobicContact CB-CD2 4.08Å; R412-L598 HydrophobicContact CG-CD2 3.81Å; R412-E600 PolarHBondContact NH1-O 3.17Å
413	Q	98.4	Very high	97.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-52.8	178.4	-72.5	-62.9	-53	0	0	111.8	T379 A409 A410 Q415 N416 F417 V825 A828	T379-Q413 PolarHBondContact OG1-NE2 3.21Å; A409-Q413 VanDerWaalsContact O-CG 3.32Å; A409-Q413 WeakPolarHBondContact O-CG 3.34Å; A409-Q413 PolarHBondContact O-N 3.36Å; A410-Q413 PolarHBondContact O-N 2.86Å; Q413-Q415 PolarHBondContact O-N 2.93Å; Q413-N416 CarbonylContact O-C 3.57Å; Q413-N416 WeakPolarHBondContact O-CA 3.28Å; Q413-N416 WeakPolarHBondContact O-CB 3.37Å; Q413-N416 PolarHBondContact O-N 2.97Å; Q413-N416 VanDerWaalsContact O-N 3.08Å; Q413-F417 HydrophobicContact CB-CE2 4.3Å; Q413-F417 HydrophobicContact CB-CZ 4.2Å; Q413-F417 VanDerWaalsContact O-CD1 3.32Å; Q413-F417 WeakPolarHBondContact O-CD1 3.25Å; Q413-F417 WeakPolarHBondContact O-CG 3.27Å; Q413-F417 PolarHBondContact O-N 3.1Å; Q413-F417 VanDerWaalsContact OE1-CZ 3.32Å; Q413-V825 HydrophobicContact CG-CG2 4.12Å; Q413-A828 HydrophobicContact CB-CB 3.58Å; Q413-A828 HydrophobicContact CG-CB 4.37Å
414	L	97.9	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-42.1	-179.5	-73.6	171.1	0	0	0	112.3	V398 A410 N416 F417 G418 T419 V421 A828 M831	V398-L414 HydrophobicContact CB-CD1 4.31Å; V398-L414 HydrophobicContact CG1-CD1 3.9Å; V398-L414 HydrophobicContact CG2-CD1 4.37Å; A410-L414 WeakPolarHBondContact O-CB 3.26Å; A410-L414 VanDerWaalsContact O-CG 3.3Å; A410-L414 WeakPolarHBondContact O-CG 3.4Å; A410-L414 PolarHBondContact O-N 3.28Å; L414-N416 VanDerWaalsContact C-N 3.35Å; L414-F417 PolarHBondContact O-N 3.36Å; L414-G418 PolarHBondContact O-N 2.78Å; L414-T419 HydrophobicContact CB-CG2 4.36Å; L414-T419 HydrophobicContact CD2-CG2 4.46Å; L414-T419 VanDerWaalsContact O-CB 3.28Å; L414-T419 WeakPolarHBondContact O-CB 3.42Å; L414-T419 PolarHBondContact O-N 3.48Å; L414-V421 HydrophobicContact CB-CG2 3.53Å; L414-V421 HydrophobicContact CD1-CG2 4.35Å; L414-A828 HydrophobicContact CD2-CB 4.23Å; L414-A828 HydrophobicContact CG-CB 3.91Å; L414-M831 HydrophobicContact CD1-SD 4.14Å; L414-M831 HydrophobicContact CD2-CB 4.13Å
415	Q	96.8	Very high	97.9	Very high	64 Å²	64	13.3 Å²	13.3	30%	0.299	7%	0.074	S	C	.	.	H	α-helix	trans	-62.1	-44.3	173.5	-173.6	-172.1	67.4	0	0	110.7	A411 R412 Q413 F417 G418 G601 L602	A411-Q415 VanDerWaalsContact O-CB 3.24Å; A411-Q415 WeakPolarHBondContact O-CB 3.48Å; A411-Q415 PolarHBondContact O-N 3.11Å; R412-Q415 VanDerWaalsContact CZ-OE1 3.25Å; Q413-Q415 PolarHBondContact O-N 2.93Å; Q415-F417 PolarHBondContact O-N 3.25Å; Q415-G418 WeakPolarHBondContact O-CA 3.46Å; Q415-G418 PolarHBondContact O-N 2.86Å; Q415-G601 PolarHBondContact NE2-O 2.86Å; Q415-L602 HydrophobicContact CB-CD2 3.97Å; Q415-L602 HydrophobicContact CG-CD2 4.32Å
416	N	97.3	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60	-33.1	175.8	-78.5	-3.8	0	0	0	112.3	L382 V384 P387 L388 R412 Q413 L414 G418	L382-N416 PolarHBondContact O-ND2 3.32Å; V384-N416 HydrophobicContact CG1-CB 4.4Å; V384-N416 HydrophobicContact CG2-CB 3.97Å; V384-N416 WeakPolarHBondContact CG2-OD1 3.44Å; P387-N416 CarbonylContact C-O 3.31Å; P387-N416 WeakPolarHBondContact CA-O 3.44Å; L388-N416 HydrophobicContact CD1-CB 3.81Å; L388-N416 HydrophobicContact CG-CB 4.24Å; L388-N416 PolarHBondContact N-O 3.27Å; R412-N416 PolarHBondContact NE-ND2 3.16Å; R412-N416 PolarHBondContact NE-OD1 3.11Å; R412-N416 PolarHBondContact NH2-OD1 3.05Å; R412-N416 VanDerWaalsContact O-CB 3.3Å; R412-N416 WeakPolarHBondContact O-CB 3.37Å; R412-N416 PolarHBondContact O-N 3.23Å; R412-N416 PolarHBondContact O-OD1 3.46Å; Q413-N416 CarbonylContact O-C 3.57Å; Q413-N416 WeakPolarHBondContact O-CA 3.28Å; Q413-N416 WeakPolarHBondContact O-CB 3.37Å; Q413-N416 PolarHBondContact O-N 2.97Å; Q413-N416 VanDerWaalsContact O-N 3.08Å; L414-N416 VanDerWaalsContact C-N 3.35Å; N416-G418 PolarHBondContact O-N 3.47Å
417	F	97.1	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.6	175.1	-58.7	-16.1	0	0	0	113.2	T372 L388 L389 R394 Q413 L414 Q415 A828 A832	T372-F417 HydrophobicContact CG2-CD1 4.46Å; T372-F417 HydrophobicContact CG2-CE1 3.87Å; T372-F417 WeakPolarHBondContact O-CZ 3.32Å; L388-F417 HydrophobicContact CB-CD1 4.41Å; L389-F417 HydrophobicContact CB-CB 4.33Å; L389-F417 HydrophobicContact CD1-CB 3.92Å; L389-F417 HydrophobicContact CD1-CD1 3.68Å; L389-F417 HydrophobicContact CD1-CD2 3.77Å; L389-F417 HydrophobicContact CD1-CE1 4.12Å; L389-F417 HydrophobicContact CD1-CE2 4.18Å; L389-F417 HydrophobicContact CD1-CG 3.5Å; L389-F417 HydrophobicContact CD1-CZ 4.35Å; L389-F417 HydrophobicContact CG-CB 4.17Å; L389-F417 HydrophobicContact CG-CD1 3.75Å; L389-F417 HydrophobicContact CG-CE1 4.34Å; L389-F417 HydrophobicContact CG-CG 3.95Å; R394-F417 WeakPolarHBondContact CG-O 3.45Å; Q413-F417 HydrophobicContact CB-CE2 4.3Å; Q413-F417 HydrophobicContact CB-CZ 4.2Å; Q413-F417 VanDerWaalsContact O-CD1 3.32Å; Q413-F417 WeakPolarHBondContact O-CD1 3.25Å; Q413-F417 WeakPolarHBondContact O-CG 3.27Å; Q413-F417 PolarHBondContact O-N 3.1Å; Q413-F417 VanDerWaalsContact OE1-CZ 3.32Å; L414-F417 PolarHBondContact O-N 3.36Å; Q415-F417 PolarHBondContact O-N 3.25Å; F417-A828 HydrophobicContact CE2-CB 4.48Å; F417-A832 HydrophobicContact CD2-CB 3.74Å; F417-A832 HydrophobicContact CE2-CB 4.14Å
418	G	95.4	Very high	97.9	Very high	29 Å²	29	20.4 Å²	20.4	30%	0.299	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	14.5	-177.8	0	0	0	0	0	114.6	L414 Q415 N416	L414-G418 PolarHBondContact O-N 2.78Å; Q415-G418 WeakPolarHBondContact O-CA 3.46Å; Q415-G418 PolarHBondContact O-N 2.86Å; N416-G418 PolarHBondContact O-N 3.47Å
419	T	95.4	Very high	97.8	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.031	12%	0.119	C	C	.	.			trans	-80.7	139.1	174.3	-64.3	0	0	0	0	110.2	S395 V398 L414 V421	S395-T419 PolarHBondContact N-OG1 3.05Å; S395-T419 WeakPolarHBondContact O-CG2 3.46Å; V398-T419 HydrophobicContact CB-CG2 4.19Å; V398-T419 HydrophobicContact CG2-CG2 3.7Å; L414-T419 HydrophobicContact CB-CG2 4.36Å; L414-T419 HydrophobicContact CD2-CG2 4.46Å; L414-T419 VanDerWaalsContact O-CB 3.28Å; L414-T419 WeakPolarHBondContact O-CB 3.42Å; L414-T419 PolarHBondContact O-N 3.48Å; T419-V421 HydrophobicContact CG2-CG2 4.22Å; T419-V421 PolarHBondContact O-N 3.4Å
420	Q	95.1	Very high	97.8	Very high	117 Å²	117	23.9 Å²	23.9	55%	0.547	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.7	170.7	-170.8	-176.9	13.8	0	0	109.9	K396 K397 V398	K396-Q420 WeakPolarHBondContact O-CB 3.28Å; K397-Q420 CarbonylContact C-O 3.43Å; K397-Q420 WeakPolarHBondContact CA-O 3.47Å; V398-Q420 PolarHBondContact N-O 3.37Å
421	V	97.6	Very high	97.8	Very high	18 Å²	18	24.1 Å²	24.1	11%	0.109	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.4	-178	-174.2	0	0	0	0	110.2	V398 V400 A411 L414 T419	V398-V421 WeakPolarHBondContact O-CA 3.46Å; V400-V421 HydrophobicContact CG2-CG1 3.8Å; A411-V421 HydrophobicContact CB-CG1 3.79Å; L414-V421 HydrophobicContact CB-CG2 3.53Å; L414-V421 HydrophobicContact CD1-CG2 4.35Å; T419-V421 HydrophobicContact CG2-CG2 4.22Å; T419-V421 PolarHBondContact O-N 3.4Å
422	V	98.4	Very high	97.8	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.6	165.9	-178.2	0	0	0	0	108.4	V398 I399 V400 L424 R605	V398-V422 PolarHBondContact O-N 3.38Å; I399-V422 WeakPolarHBondContact CA-O 3.38Å; V400-V422 PolarHBondContact N-O 3.13Å; V422-L424 HydrophobicContact CG1-CD2 3.93Å; V422-R605 HydrophobicContact CG1-CG 4.25Å
423	L	98.7	Very high	97.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.6	178.1	-131.5	117.3	0	0	0	110.7	V400 G402 A403 L408 A411 D603 I604 R605	V400-L423 HydrophobicContact CB-CD1 3.74Å; V400-L423 HydrophobicContact CB-CG 3.81Å; V400-L423 HydrophobicContact CG1-CD1 3.8Å; V400-L423 HydrophobicContact CG1-CG 3.92Å; V400-L423 HydrophobicContact CG2-CD1 4.32Å; V400-L423 CarbonylContact O-C 3.54Å; V400-L423 WeakPolarHBondContact O-CA 3.38Å; G402-L423 VanDerWaalsContact O-CD2 3.31Å; G402-L423 WeakPolarHBondContact O-CD2 3.4Å; A403-L423 HydrophobicContact CB-CD2 3.33Å; L408-L423 HydrophobicContact CD2-CD2 4.44Å; A411-L423 HydrophobicContact CB-CD1 3.16Å; L423-D603 PolarHBondContact N-O 3.32Å; L423-I604 HydrophobicContact CB-CB 4.36Å; L423-I604 HydrophobicContact CB-CG1 3.98Å; L423-I604 HydrophobicContact CB-CG2 4.34Å; L423-R605 PolarHBondContact O-N 3.47Å
424	L	98.9	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.8	178.6	-52.3	-178.6	0	0	0	109.1	I399 V400 G402 V422 R605 V610 V622 W630	I399-L424 HydrophobicContact CG2-CD1 3.84Å; I399-L424 HydrophobicContact CG2-CG 4.12Å; V400-L424 PolarHBondContact O-N 3.01Å; G402-L424 PolarHBondContact N-O 3.11Å; V422-L424 HydrophobicContact CG1-CD2 3.93Å; L424-R605 HydrophobicContact CD2-CB 3.88Å; L424-R605 HydrophobicContact CD2-CG 3.95Å; L424-V610 HydrophobicContact CB-CG2 4.07Å; L424-V610 HydrophobicContact CD1-CG2 3.81Å; L424-V622 HydrophobicContact CD1-CG1 3.88Å; L424-W630 HydrophobicContact CD1-CD2 3.94Å; L424-W630 HydrophobicContact CD1-CE3 3.73Å; L424-W630 HydrophobicContact CD1-CG 4.47Å; L424-W630 HydrophobicContact CD1-CZ3 4.09Å; L424-W630 HydrophobicContact CD2-CD2 4.07Å; L424-W630 HydrophobicContact CD2-CE3 4.45Å; L424-W630 HydrophobicContact CD2-CH2 4.28Å; L424-W630 HydrophobicContact CD2-CZ2 3.85Å
425	E	98.8	Very high	97.8	Very high	10 Å²	10	32 Å²	32	5%	0.047	16%	0.163	C	C	.	.			trans	-113.3	131.5	-179.2	174	48.1	-129.8	0	0	110.2	G402 A403 R427 R429 R605 T606 N607 C608	G402-E425 WeakPolarHBondContact CA-OE2 3.21Å; A403-E425 HydrophobicContact CB-CB 3.78Å; A403-E425 HydrophobicContact CB-CG 3.92Å; A403-E425 PolarHBondContact N-OE2 3.37Å; E425-R427 HydrophobicContact CG-CB 4.28Å; E425-R427 VanDerWaalsContact OE1-CB 3.31Å; E425-R427 WeakPolarHBondContact OE1-CB 3.32Å; E425-R427 WeakPolarHBondContact OE1-CD 3.47Å; E425-R427 VanDerWaalsContact OE1-CG 3.32Å; E425-R427 WeakPolarHBondContact OE1-CG 3.3Å; E425-R427 PolarHBondContact OE1-N 3.06Å; E425-R429 VanDerWaalsContact CG-O 3.31Å; E425-R429 WeakPolarHBondContact CG-O 3.38Å; E425-R605 PolarHBondContact N-O 3.23Å; E425-T606 HydrophobicContact CB-CG2 4.37Å; E425-T606 HydrophobicContact CG-CG2 4.42Å; E425-T606 CarbonylContact O-C 3.5Å; E425-T606 WeakPolarHBondContact O-CA 3.14Å; E425-N607 PolarHBondContact O-N 3.31Å; E425-C608 CarbonylContact O-C 3.05Å; E425-C608 PolarHBondContact O-N 3.24Å
426	A	98.6	Very high	97.9	Very high	21 Å²	21	30 Å²	30	17%	0.174	16%	0.155	C	C	.	.	S	Bend	trans	-68.8	-39.4	-177.7	0	0	0	0	0	112.3	P609 W774	A426-P609 HydrophobicContact CB-CB 3.83Å; A426-W774 HydrophobicContact CB-CB 4.45Å; A426-W774 HydrophobicContact CB-CD2 3.56Å; A426-W774 HydrophobicContact CB-CE3 3.86Å; A426-W774 HydrophobicContact CB-CG 3.82Å; A426-W774 HydrophobicContact CB-CZ2 4.39Å; A426-W774 HydrophobicContact CB-CZ3 4.39Å
427	R	98.4	Very high	97.9	Very high	27 Å²	27	31.2 Å²	31.2	10%	0.102	16%	0.161	C	C	.	.	S	Bend	trans	-77.6	169.1	179.8	-60.5	164.2	-174.2	-78.3	-1.4	111.7	E425 R429 T606 N607 D772 W774	E425-R427 HydrophobicContact CG-CB 4.28Å; E425-R427 VanDerWaalsContact OE1-CB 3.31Å; E425-R427 WeakPolarHBondContact OE1-CB 3.32Å; E425-R427 WeakPolarHBondContact OE1-CD 3.47Å; E425-R427 VanDerWaalsContact OE1-CG 3.32Å; E425-R427 WeakPolarHBondContact OE1-CG 3.3Å; E425-R427 PolarHBondContact OE1-N 3.06Å; R427-R429 HydrophobicContact CB-CG 4.3Å; R427-T606 CarbonylContact O-C 3.55Å; R427-T606 WeakPolarHBondContact O-CA 3.39Å; R427-T606 WeakPolarHBondContact O-CB 3.39Å; R427-N607 PolarHBondContact O-N 3.45Å; R427-D772 IonicContact CZ-OD1 3.13Å; R427-D772 IonicContact CZ-OD2 2.92Å; R427-D772 IonicContact NH1-OD1 3.37Å; R427-D772 PolarHBondContact NH1-OD1 2.97Å; R427-D772 IonicContact NH1-OD2 3.12Å; R427-D772 PolarHBondContact NH1-OD2 3.17Å; R427-D772 IonicContact NH2-OD1 3.52Å; R427-D772 PolarHBondContact NH2-OD1 3.02Å; R427-D772 IonicContact NH2-OD2 2.7Å; R427-D772 PolarHBondContact NH2-OD2 3.36Å; R427-W774 HydrophobicContact CG-CB 4.37Å; R427-W774 HydrophobicContact CG-CG 4.39Å
428	D	98.2	Very high	97.9	Very high	116 Å²	116	33.7 Å²	33.7	62%	0.62	19%	0.187	S	C	*	.	S	Bend	trans	-73.1	-14.1	167.8	62.1	-15	0	0	0	113.7
429	R	98.5	Very high	97.9	Very high	44 Å²	44	36.2 Å²	36.2	17%	0.166	20%	0.2	C	C	.	.	S	Bend	trans	-123.8	156.4	-179.8	66.2	172	-175.9	77.3	-0.1	113.2	E425 R427 G432	E425-R429 VanDerWaalsContact CG-O 3.31Å; E425-R429 WeakPolarHBondContact CG-O 3.38Å; R427-R429 HydrophobicContact CB-CG 4.3Å; R429-G432 PolarHBondContact NH1-O 2.83Å; R429-G432 PolarHBondContact NH2-O 3.45Å
430	I	98.8	Very high	97.8	Very high	28 Å²	28	36 Å²	36	14%	0.144	20%	0.198	C	C	.	.	S	Bend	trans	-82.4	179.9	167	64.7	161.8	0	0	0	111.6	A403 L408 G432 A599 I604	A403-I430 HydrophobicContact CB-CB 3.92Å; A403-I430 HydrophobicContact CB-CG2 3.68Å; L408-I430 HydrophobicContact CD1-CD1 4.23Å; I430-G432 PolarHBondContact O-N 3.14Å; I430-A599 HydrophobicContact CD1-CB 3.55Å; I430-I604 HydrophobicContact CG2-CD1 4.11Å; I430-I604 HydrophobicContact CG2-CG2 3.99Å
431	G	98.3	Very high	97.6	Very high	6 Å²	6	32.8 Å²	32.8	6%	0.062	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	96.1	-27.8	172.5	0	0	0	0	0	114.4	A403 R433 V434	A403-G431 PolarHBondContact O-N 2.9Å; G431-R433 PolarHBondContact O-N 3.11Å; G431-R433 VanDerWaalsContact O-N 3.14Å; G431-V434 CarbonylContact C-O 3.53Å; G431-V434 VanDerWaalsContact C-O 3.31Å; G431-V434 WeakPolarHBondContact CA-O 3.35Å; G431-V434 PolarHBondContact O-N 3.49Å
432	G	98.3	Very high	97.5	Very high	13 Å²	13	33 Å²	33	13%	0.134	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-116.3	-179.2	0	0	0	0	0	111.3	R429 I430 V434 W769	R429-G432 PolarHBondContact NH1-O 2.83Å; R429-G432 PolarHBondContact NH2-O 3.45Å; I430-G432 PolarHBondContact O-N 3.14Å; G432-V434 PolarHBondContact O-N 3.02Å; G432-W769 WeakPolarHBondContact O-CH2 3.35Å
433	R	98.6	Very high	97.4	Very high	53 Å²	53	34.7 Å²	34.7	20%	0.2	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.6	176.3	-71.1	175.1	-77.5	174.1	-5.9	114.3	G431 G447 A448 W769 A775 M777 S778 E807	G431-R433 PolarHBondContact O-N 3.11Å; G431-R433 VanDerWaalsContact O-N 3.14Å; R433-G447 VanDerWaalsContact O-CA 3.3Å; R433-G447 WeakPolarHBondContact O-CA 3.25Å; R433-A448 PolarHBondContact O-N 2.8Å; R433-W769 HydrophobicContact CG-CE3 4.37Å; R433-W769 HydrophobicContact CG-CZ3 4.17Å; R433-A775 HydrophobicContact CG-CB 4.38Å; R433-M777 WeakPolarHBondContact CD-O 3.26Å; R433-S778 WeakPolarHBondContact CD-O 3.18Å; R433-S778 PolarHBondContact NH1-O 3.49Å; R433-E807 IonicContact CZ-OE1 3.1Å; R433-E807 IonicContact NH1-OE1 3.15Å; R433-E807 PolarHBondContact NH1-OE1 3.25Å; R433-E807 IonicContact NH2-OE1 3.72Å; R433-E807 PolarHBondContact NH2-OE1 3.35Å
434	V	98.8	Very high	97.4	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.048	21%	0.208	C	C	.	.			trans	-94.9	116.3	158	169.1	0	0	0	0	107.2	G431 G432 A448 Y591 L595 V817	G431-V434 CarbonylContact C-O 3.53Å; G431-V434 VanDerWaalsContact C-O 3.31Å; G431-V434 WeakPolarHBondContact CA-O 3.35Å; G431-V434 PolarHBondContact O-N 3.49Å; G432-V434 PolarHBondContact O-N 3.02Å; V434-A448 HydrophobicContact CG2-CB 4.36Å; V434-Y591 VanDerWaalsContact CG1-CB 3.44Å; V434-Y591 HydrophobicContact CG2-CG 4.43Å; V434-L595 HydrophobicContact CB-CD1 3.59Å; V434-L595 HydrophobicContact CG1-CD1 3.78Å; V434-L595 HydrophobicContact CG1-CG 4.31Å; V434-L595 HydrophobicContact CG2-CD1 3.85Å; V434-V817 HydrophobicContact CG2-CG1 4.4Å; V434-V817 HydrophobicContact CG2-CG2 3.77Å
435	W	98.6	Very high	97.4	Very high	105 Å²	105	34.6 Å²	34.6	40%	0.398	21%	0.208	S	C	.	.			trans	-151.4	113	176.7	-174.4	13.3	0	0	0	107.9	R446 G447 W769	W435-R446 HydrophobicContact CB-CB 4.37Å; W435-R446 HydrophobicContact CD2-CB 4.45Å; W435-R446 HydrophobicContact CE3-CB 4.34Å; W435-R446 HydrophobicContact CG-CB 4.48Å; W435-R446 WeakPolarHBondContact O-CA 3.37Å; W435-R446 VanDerWaalsContact O-CB 3.3Å; W435-R446 WeakPolarHBondContact O-CB 3.39Å; W435-R446 PolarHBondContact O-N 2.82Å; W435-G447 PolarHBondContact O-N 3.49Å; W435-W769 HydrophobicContact CB-CH2 4.13Å; W435-W769 HydrophobicContact CB-CZ2 4.27Å; W435-W769 HydrophobicContact CE3-CH2 4.16Å; W435-W769 HydrophobicContact CE3-CZ2 4.34Å
436	D	98.6	Very high	97.4	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.123	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148	-177.9	-55.9	-28.9	0	0	0	110.2	T443 V444 G445 G590 Y591 S592	D436-T443 HydrophobicContact CB-CG2 3.76Å; D436-V444 WeakPolarHBondContact CA-O 3.3Å; D436-G445 WeakPolarHBondContact OD1-CA 3.33Å; D436-G590 WeakPolarHBondContact OD2-CA 3.44Å; D436-Y591 PolarHBondContact OD2-N 2.87Å; D436-S592 WeakPolarHBondContact OD2-CA 3.45Å; D436-S592 WeakPolarHBondContact OD2-CB 3.36Å; D436-S592 PolarHBondContact OD2-N 3.05Å; D436-S592 PolarHBondContact OD2-OG 3.07Å
437	D	97.3	Very high	97.4	Very high	24 Å²	24	35.9 Å²	35.9	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.5	179.2	-162.4	-43.2	0	0	0	109.5	S439 T443 V444 R446 F765	D437-S439 WeakPolarHBondContact OD1-CB 3.38Å; D437-S439 PolarHBondContact OD1-N 3.43Å; D437-S439 PolarHBondContact OD1-OG 3.32Å; D437-T443 CarbonylContact O-C 3.59Å; D437-T443 WeakPolarHBondContact O-CA 3.43Å; D437-V444 PolarHBondContact N-O 3.01Å; D437-V444 PolarHBondContact O-N 3.44Å; D437-R446 HydrophobicContact CB-CG 4.31Å; D437-R446 IonicContact OD2-CZ 3.62Å; D437-R446 VanDerWaalsContact OD2-CZ 3.23Å; D437-R446 IonicContact OD2-NE 3.62Å; D437-R446 PolarHBondContact OD2-NE 3.46Å; D437-R446 IonicContact OD2-NH2 3.97Å; D437-R446 PolarHBondContact OD2-NH2 2.97Å; D437-F765 HydrophobicContact CB-CD1 4.47Å; D437-F765 HydrophobicContact CB-CE1 4.08Å
438	G	95.6	Very high	97.4	Very high	53 Å²	53	36.2 Å²	36.2	55%	0.546	22%	0.22	S	C	.	.			trans	-103	3.3	177.3	0	0	0	0	0	114.3	L440	G438-L440 VanDerWaalsContact C-N 3.31Å; G438-L440 PolarHBondContact O-N 3.03Å
439	S	95.5	Very high	97.4	Very high	81 Å²	81	30.9 Å²	30.9	57%	0.566	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.6	-172.5	63.4	0	0	0	0	113.9	D437 G441	D437-S439 WeakPolarHBondContact OD1-CB 3.38Å; D437-S439 PolarHBondContact OD1-N 3.43Å; D437-S439 PolarHBondContact OD1-OG 3.32Å; S439-G441 VanDerWaalsContact C-N 3.26Å; S439-G441 PolarHBondContact O-N 3.41Å
440	L	94.1	Very high	97.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	13.9	-178.5	-55.7	-175.6	0	0	0	113.8	G438 V442 V444 A675 Q677 V720 N763 F765	G438-L440 VanDerWaalsContact C-N 3.31Å; G438-L440 PolarHBondContact O-N 3.03Å; L440-V442 PolarHBondContact O-N 3.09Å; L440-V444 HydrophobicContact CB-CG2 4.5Å; L440-V444 HydrophobicContact CD1-CG2 4.15Å; L440-A675 HydrophobicContact CD1-CB 3.71Å; L440-Q677 HydrophobicContact CB-CB 4.35Å; L440-Q677 HydrophobicContact CD2-CB 4.12Å; L440-Q677 PolarHBondContact O-NE2 2.77Å; L440-V720 HydrophobicContact CB-CG1 4.45Å; L440-V720 HydrophobicContact CB-CG2 4.22Å; L440-V720 HydrophobicContact CD1-CG1 4.15Å; L440-V720 WeakPolarHBondContact O-CG2 3.45Å; L440-N763 HydrophobicContact CD2-CB 3.47Å; L440-N763 VanDerWaalsContact CD2-CB 3.47Å; L440-F765 HydrophobicContact CD1-CD1 3.98Å; L440-F765 HydrophobicContact CD1-CE1 3.92Å
441	G	90.2	Very high	97.4	Very high	50 Å²	50	29.5 Å²	29.5	52%	0.515	19%	0.187	S	C	.	.	S	Bend	trans	81.9	-17.5	-178.7	0	0	0	0	0	115.1	S439	S439-G441 VanDerWaalsContact C-N 3.26Å; S439-G441 PolarHBondContact O-N 3.41Å
442	V	95.8	Very high	97.4	Very high	23 Å²	23	32.9 Å²	32.9	14%	0.139	20%	0.204	C	C	.	.	S	Bend	trans	-124.8	162.9	164.3	-60.4	0	0	0	0	110.1	L440 V444 L712 D713 Q718 V720	L440-V442 PolarHBondContact O-N 3.09Å; V442-V444 HydrophobicContact CG2-CG2 3.88Å; V442-V444 PolarHBondContact O-N 3.24Å; V442-L712 HydrophobicContact CG2-CB 4.2Å; V442-D713 HydrophobicContact CG1-CB 4.08Å; V442-Q718 HydrophobicContact CG1-CB 3.72Å; V442-Q718 HydrophobicContact CG1-CG 3.64Å; V442-V720 HydrophobicContact CG2-CB 3.99Å; V442-V720 HydrophobicContact CG2-CG1 4.22Å; V442-V720 HydrophobicContact CG2-CG2 3.92Å
443	T	97.6	Very high	97.4	Very high	41 Å²	41	32.3 Å²	32.3	25%	0.252	20%	0.198	S	C	.	.			trans	-75.8	120.5	172.1	-56.7	0	0	0	0	109.7	D436 D437 Q449 T588	D436-T443 HydrophobicContact CB-CG2 3.76Å; D437-T443 CarbonylContact O-C 3.59Å; D437-T443 WeakPolarHBondContact O-CA 3.43Å; T443-Q449 PolarHBondContact O-NE2 3.23Å; T443-T588 WeakPolarHBondContact CB-O 3.32Å
444	V	98.5	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.7	175.4	-174.2	0	0	0	0	110.1	D436 D437 L440 V442 R446 A675 L712 V720 F765	D436-V444 WeakPolarHBondContact CA-O 3.3Å; D437-V444 PolarHBondContact N-O 3.01Å; D437-V444 PolarHBondContact O-N 3.44Å; L440-V444 HydrophobicContact CB-CG2 4.5Å; L440-V444 HydrophobicContact CD1-CG2 4.15Å; V442-V444 HydrophobicContact CG2-CG2 3.88Å; V442-V444 PolarHBondContact O-N 3.24Å; V444-R446 PolarHBondContact O-N 2.6Å; V444-A675 HydrophobicContact CG1-CB 3.89Å; V444-L712 HydrophobicContact CB-CD1 3.89Å; V444-L712 HydrophobicContact CG1-CD1 3.31Å; V444-L712 HydrophobicContact CG2-CD1 3.48Å; V444-L712 VanDerWaalsContact CG2-CD1 3.48Å; V444-V720 HydrophobicContact CG2-CG1 3.97Å; V444-F765 HydrophobicContact CB-CE1 4.01Å; V444-F765 HydrophobicContact CB-CZ 4.2Å; V444-F765 HydrophobicContact CG1-CE1 3.88Å; V444-F765 HydrophobicContact CG1-CZ 3.61Å
445	G	98.4	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	110.6	174.6	0	0	0	0	0	111	D436 G447 Q449 K673	D436-G445 WeakPolarHBondContact OD1-CA 3.33Å; G445-G447 PolarHBondContact O-N 3.12Å; G445-Q449 VanDerWaalsContact N-CD 3.33Å; G445-K673 PolarHBondContact O-NZ 3Å
446	R	98.7	Very high	97.3	Very high	46 Å²	46	25.5 Å²	25.5	17%	0.174	17%	0.173	C	C	.	.	S	Bend	trans	-59.4	-29	163.2	-64.4	173.5	171.7	-92.1	0.9	110.3	W435 D437 V444 F765 T767 W769	W435-R446 HydrophobicContact CB-CB 4.37Å; W435-R446 HydrophobicContact CD2-CB 4.45Å; W435-R446 HydrophobicContact CE3-CB 4.34Å; W435-R446 HydrophobicContact CG-CB 4.48Å; W435-R446 WeakPolarHBondContact O-CA 3.37Å; W435-R446 VanDerWaalsContact O-CB 3.3Å; W435-R446 WeakPolarHBondContact O-CB 3.39Å; W435-R446 PolarHBondContact O-N 2.82Å; D437-R446 HydrophobicContact CB-CG 4.31Å; D437-R446 IonicContact OD2-CZ 3.62Å; D437-R446 VanDerWaalsContact OD2-CZ 3.23Å; D437-R446 IonicContact OD2-NE 3.62Å; D437-R446 PolarHBondContact OD2-NE 3.46Å; D437-R446 IonicContact OD2-NH2 3.97Å; D437-R446 PolarHBondContact OD2-NH2 2.97Å; V444-R446 PolarHBondContact O-N 2.6Å; R446-F765 HydrophobicContact CB-CE2 4.31Å; R446-F765 HydrophobicContact CG-CD2 4.08Å; R446-F765 HydrophobicContact CG-CE1 4.24Å; R446-F765 HydrophobicContact CG-CE2 3.66Å; R446-F765 HydrophobicContact CG-CZ 3.73Å; R446-T767 HydrophobicContact CB-CG2 3.93Å; R446-T767 HydrophobicContact CG-CG2 4.41Å; R446-T767 WeakPolarHBondContact O-CG2 3.34Å; R446-W769 PolarHBondContact O-NE1 3.48Å
447	G	98.4	Very high	97.3	Very high	12 Å²	12	24.4 Å²	24.4	12%	0.124	17%	0.167	C	C	.	.	S	Bend	trans	-108.7	-129	172.6	0	0	0	0	0	112.9	R433 W435 G445 K673	R433-G447 VanDerWaalsContact O-CA 3.3Å; R433-G447 WeakPolarHBondContact O-CA 3.25Å; W435-G447 PolarHBondContact O-N 3.49Å; G445-G447 PolarHBondContact O-N 3.12Å; G447-K673 PolarHBondContact O-NZ 3.13Å
448	A	98.4	Very high	97.4	Very high	33 Å²	33	23.7 Å²	23.7	27%	0.273	16%	0.164	S	C	.	.			trans	-67.5	142.9	178.1	0	0	0	0	0	112.8	R433 V434 Y591 V817	R433-A448 PolarHBondContact O-N 2.8Å; V434-A448 HydrophobicContact CG2-CB 4.36Å; A448-Y591 HydrophobicContact CB-CD2 4.03Å; A448-Y591 HydrophobicContact CB-CE2 4.04Å; A448-Y591 WeakPolarHBondContact O-CD2 3.23Å; A448-V817 HydrophobicContact CB-CG2 3.4Å; A448-V817 VanDerWaalsContact CB-CG2 3.4Å
449	Q	98.5	Very high	97.5	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.023	14%	0.138	C	C	.	.			trans	-149.6	-16.7	172.7	-156.1	174.8	3.3	0	0	114.4	T443 G445 L586 L587	T443-Q449 PolarHBondContact O-NE2 3.23Å; G445-Q449 VanDerWaalsContact N-CD 3.33Å; Q449-L586 HydrophobicContact CB-CD1 4.29Å; Q449-L586 HydrophobicContact CG-CD1 3.76Å; Q449-L587 WeakPolarHBondContact O-CB 3.29Å; Q449-L587 PolarHBondContact O-N 3.17Å
450	I	98.5	Very high	97.7	Very high	42 Å²	42	17.5 Å²	17.5	22%	0.215	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.9	176.6	-62.8	172.4	0	0	0	109.7	N452 L473 T585 Y591 Y710	I450-N452 WeakPolarHBondContact CG2-OD1 3.46Å; I450-L473 HydrophobicContact CD1-CD1 4.43Å; I450-L473 HydrophobicContact CG1-CD1 4.5Å; I450-L473 HydrophobicContact CG2-CD1 4.3Å; I450-T585 CarbonylContact C-O 3.57Å; I450-T585 WeakPolarHBondContact CA-O 3.25Å; I450-Y591 PolarHBondContact O-OH 2.8Å; I450-Y710 HydrophobicContact CD1-CE1 4.03Å
451	V	98.7	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.4	168.8	-169.4	0	0	0	0	107.8	I459 M470 H584 T585 L587 Y591	V451-I459 HydrophobicContact CG1-CB 4.12Å; V451-I459 HydrophobicContact CG1-CG2 4.23Å; V451-I459 HydrophobicContact CG2-CG2 3.79Å; V451-M470 HydrophobicContact CG2-SD 4.04Å; V451-H584 WeakPolarHBondContact O-CA 3.22Å; V451-T585 WeakPolarHBondContact CB-OG1 3.2Å; V451-T585 PolarHBondContact N-O 3.25Å; V451-T585 PolarHBondContact O-N 3.48Å; V451-L587 HydrophobicContact CG2-CB 4.28Å; V451-Y591 WeakPolarHBondContact CG2-OH 3.4Å
452	N	97.9	Very high	98.3	Very high	78 Å²	78	15.9 Å²	15.9	42%	0.417	9%	0.092	S	C	.	.	S	Bend	trans	-91	112.7	179.7	-64.6	-38	0	0	0	110.3	I450 N457 H584	I450-N452 WeakPolarHBondContact CG2-OD1 3.46Å; N452-N457 PolarHBondContact O-ND2 3.4Å; N452-H584 WeakPolarHBondContact CA-ND1 3.45Å; N452-H584 PolarHBondContact OD1-ND1 2.88Å
453	G	97.9	Very high	98.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.			trans	66.1	105.8	-175.7	0	0	0	0	0	112.7	N457 S581 D583	G453-N457 VanDerWaalsContact O-CB 3.29Å; G453-N457 WeakPolarHBondContact O-CB 3.33Å; G453-N457 PolarHBondContact O-ND2 3.32Å; G453-S581 CarbonylContact C-O 3.58Å; G453-S581 VanDerWaalsContact C-O 3.28Å; G453-S581 VanDerWaalsContact CA-O 3.26Å; G453-S581 WeakPolarHBondContact CA-O 3.29Å; G453-D583 CarbonylContact C-O 3.58Å; G453-D583 WeakPolarHBondContact CA-O 3.44Å; G453-D583 PolarHBondContact N-O 2.82Å
454	C	98.4	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.			trans	-87.2	-20.3	-176.2	-69.8	0	0	0	0	114.5	Y283 N456 N457 A460 M470 S581 D583 T585	Y283-C454 WeakPolarHBondContact CB-O 3.39Å; Y283-C454 HydrophobicContact CD1-CB 3.53Å; Y283-C454 HydrophobicContact CD2-CB 3.87Å; Y283-C454 HydrophobicContact CE1-CB 3.49Å; Y283-C454 VanDerWaalsContact CE1-CB 3.49Å; Y283-C454 HydrophobicContact CE2-CB 3.81Å; Y283-C454 HydrophobicContact CG-CB 3.75Å; C454-N456 PolarHBondContact O-N 3.37Å; C454-N457 WeakPolarHBondContact O-CB 3.23Å; C454-N457 PolarHBondContact O-N 2.98Å; C454-N457 VanDerWaalsContact O-N 3.1Å; C454-A460 HydrophobicContact CB-CB 4.47Å; C454-A460 WeakPolarHBondContact O-CB 3.39Å; C454-M470 HydrophobicContact CB-CE 4.24Å; C454-S581 PolarHBondContact N-O 3.34Å; C454-D583 PolarHBondContact N-O 2.89Å; C454-D583 PolarHBondContact SG-O 2.85Å; C454-T585 WeakPolarHBondContact SG-CG2 3.3Å; C454-T585 PolarHBondContact SG-OG1 3.13Å
455	V	98.1	Very high	98.5	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.042	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	123.6	-178.6	172	0	0	0	0	110	Y283 Q285 K295 N457 F580 S581	Y283-V455 HydrophobicContact CD1-CG2 4.27Å; Q285-V455 HydrophobicContact CB-CG1 3.94Å; Q285-V455 VanDerWaalsContact CD-CG1 3.46Å; Q285-V455 HydrophobicContact CG-CG1 4.01Å; Q285-V455 VanDerWaalsContact OE1-CG1 3.23Å; K295-V455 HydrophobicContact CD-CG1 4.38Å; V455-N457 PolarHBondContact O-N 3.35Å; V455-F580 WeakPolarHBondContact O-CD1 3.06Å; V455-S581 WeakPolarHBondContact CB-O 3.42Å; V455-S581 PolarHBondContact N-O 3.21Å
456	N	98.3	Very high	98.5	Very high	16 Å²	16	20.4 Å²	20.4	9%	0.086	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	9.1	-174.4	-57.3	-30.8	0	0	0	115.3	Y283 Q285 A296 L297 C298 C454	Y283-N456 PolarHBondContact O-N 3.44Å; Y283-N456 PolarHBondContact O-OD1 3.16Å; Q285-N456 WeakPolarHBondContact CA-OD1 3.35Å; Q285-N456 PolarHBondContact N-OD1 3.48Å; Q285-N456 PolarHBondContact O-ND2 3.41Å; Q285-N456 PolarHBondContact O-OD1 3.26Å; A296-N456 PolarHBondContact O-ND2 2.97Å; L297-N456 HydrophobicContact CB-CB 4.05Å; C298-N456 PolarHBondContact SG-ND2 2.84Å; C454-N456 PolarHBondContact O-N 3.37Å
457	N	98.8	Very high	98.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.13	C	C	.	.			trans	-69	129.1	-178.4	-164.3	-45.9	0	0	0	109.8	N452 G453 C454 V455 I459 A460 L461 F580 T818	N452-N457 PolarHBondContact O-ND2 3.4Å; G453-N457 VanDerWaalsContact O-CB 3.29Å; G453-N457 WeakPolarHBondContact O-CB 3.33Å; G453-N457 PolarHBondContact O-ND2 3.32Å; C454-N457 WeakPolarHBondContact O-CB 3.23Å; C454-N457 PolarHBondContact O-N 2.98Å; C454-N457 VanDerWaalsContact O-N 3.1Å; V455-N457 PolarHBondContact O-N 3.35Å; N457-I459 PolarHBondContact O-N 2.87Å; N457-I459 VanDerWaalsContact O-N 3.08Å; N457-I459 WeakPolarHBondContact OD1-CB 3.26Å; N457-I459 WeakPolarHBondContact OD1-CG1 3.34Å; N457-I459 PolarHBondContact OD1-N 3.17Å; N457-A460 HydrophobicContact CB-CB 4.42Å; N457-A460 WeakPolarHBondContact O-CA 3.32Å; N457-A460 WeakPolarHBondContact O-CB 3.49Å; N457-A460 PolarHBondContact O-N 3.02Å; N457-L461 PolarHBondContact O-N 3.17Å; N457-L461 VanDerWaalsContact O-N 3.14Å; N457-F580 HydrophobicContact CB-CD1 3.99Å; N457-F580 HydrophobicContact CB-CE1 4.19Å; N457-T818 PolarHBondContact ND2-OG1 3.08Å; N457-T818 WeakPolarHBondContact OD1-CG2 3.48Å; N457-T818 PolarHBondContact OD1-OG1 2.95Å
458	P	98.8	Very high	98.4	Very high	8 Å²	8	22 Å²	22	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-23.4	178	24.1	-36.3	0	0	0	113.1	L461 M462 T818 Y821 L822	P458-L461 WeakPolarHBondContact O-CB 3.26Å; P458-L461 PolarHBondContact O-N 2.82Å; P458-M462 WeakPolarHBondContact O-CG 3.5Å; P458-M462 PolarHBondContact O-N 3.33Å; P458-T818 HydrophobicContact CG-CG2 3.81Å; P458-Y821 HydrophobicContact CB-CD1 3.62Å; P458-Y821 HydrophobicContact CB-CE1 3.48Å; P458-Y821 VanDerWaalsContact CB-CE1 3.48Å; P458-Y821 HydrophobicContact CG-CD1 3.68Å; P458-Y821 HydrophobicContact CG-CE1 4.06Å; P458-L822 HydrophobicContact CG-CD1 4.42Å; P458-L822 HydrophobicContact CG-CD2 4.01Å; P458-L822 HydrophobicContact CG-CG 4.08Å
459	I	98.8	Very high	98.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-43.7	172.8	-54.8	-54.6	0	0	0	110.7	V451 N457 L461 M462 C463 L587 Y591 L594 V817 T818	V451-I459 HydrophobicContact CG1-CB 4.12Å; V451-I459 HydrophobicContact CG1-CG2 4.23Å; V451-I459 HydrophobicContact CG2-CG2 3.79Å; N457-I459 PolarHBondContact O-N 2.87Å; N457-I459 VanDerWaalsContact O-N 3.08Å; N457-I459 WeakPolarHBondContact OD1-CB 3.26Å; N457-I459 WeakPolarHBondContact OD1-CG1 3.34Å; N457-I459 PolarHBondContact OD1-N 3.17Å; I459-L461 VanDerWaalsContact C-N 3.32Å; I459-L461 PolarHBondContact O-N 3.12Å; I459-M462 HydrophobicContact CD1-CE 3.48Å; I459-M462 VanDerWaalsContact CD1-CE 3.48Å; I459-M462 PolarHBondContact O-N 3.25Å; I459-C463 WeakPolarHBondContact O-CB 3.35Å; I459-C463 PolarHBondContact O-N 3.44Å; I459-C463 PolarHBondContact O-SG 3.11Å; I459-L587 HydrophobicContact CG2-CD2 4.46Å; I459-Y591 HydrophobicContact CB-CE1 4.45Å; I459-Y591 HydrophobicContact CD1-CD1 4.34Å; I459-Y591 HydrophobicContact CD1-CE1 3.78Å; I459-Y591 HydrophobicContact CG1-CE1 3.87Å; I459-Y591 HydrophobicContact CG2-CD1 4.46Å; I459-Y591 HydrophobicContact CG2-CE1 3.74Å; I459-L594 HydrophobicContact CG2-CD1 3.78Å; I459-V817 HydrophobicContact CD1-CG1 4.18Å; I459-T818 WeakPolarHBondContact CG1-OG1 3.41Å
460	A	98.7	Very high	98.2	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-38.4	175.1	0	0	0	0	0	111.7	Y283 C454 N457 C463 E464 M470	Y283-A460 HydrophobicContact CD2-CB 3.99Å; Y283-A460 HydrophobicContact CG-CB 4.34Å; C454-A460 HydrophobicContact CB-CB 4.47Å; C454-A460 WeakPolarHBondContact O-CB 3.39Å; N457-A460 HydrophobicContact CB-CB 4.42Å; N457-A460 WeakPolarHBondContact O-CA 3.32Å; N457-A460 WeakPolarHBondContact O-CB 3.49Å; N457-A460 PolarHBondContact O-N 3.02Å; A460-C463 PolarHBondContact O-N 2.68Å; A460-E464 PolarHBondContact O-N 3.42Å; A460-M470 HydrophobicContact CB-CE 3.94Å
461	L	98.8	Very high	98.2	Very high	15 Å²	15	33 Å²	33	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-49.3	171.4	173.2	65.9	0	0	0	112	F284 W333 C337 T379 N457 P458 I459 C463 E464 Q465	F284-L461 HydrophobicContact CE1-CB 4.14Å; F284-L461 HydrophobicContact CE1-CD1 4.09Å; F284-L461 HydrophobicContact CZ-CB 4.45Å; F284-L461 HydrophobicContact CZ-CD1 3.71Å; W333-L461 HydrophobicContact CZ2-CD1 4.28Å; W333-L461 HydrophobicContact CZ2-CD2 4.3Å; C337-L461 HydrophobicContact CB-CD1 3.55Å; T379-L461 HydrophobicContact CG2-CD2 3.76Å; N457-L461 PolarHBondContact O-N 3.17Å; N457-L461 VanDerWaalsContact O-N 3.14Å; P458-L461 WeakPolarHBondContact O-CB 3.26Å; P458-L461 PolarHBondContact O-N 2.82Å; I459-L461 VanDerWaalsContact C-N 3.32Å; I459-L461 PolarHBondContact O-N 3.12Å; L461-C463 VanDerWaalsContact C-N 3.34Å; L461-C463 PolarHBondContact O-N 2.85Å; L461-E464 PolarHBondContact O-N 3.35Å; L461-Q465 HydrophobicContact CD1-CG 4.47Å; L461-Q465 WeakPolarHBondContact O-CG 3.15Å; L461-Q465 PolarHBondContact O-N 3Å
462	M	98.8	Very high	98.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-35.8	179.5	-69.7	-173.3	-68.9	0	0	112.1	V381 P458 I459 Q465 M466 L594 L598 Y821	V381-M462 HydrophobicContact CG1-CB 4.08Å; V381-M462 HydrophobicContact CG1-CG 3.89Å; V381-M462 HydrophobicContact CG1-SD 3.71Å; V381-M462 HydrophobicContact CG2-CB 4.44Å; V381-M462 HydrophobicContact CG2-CG 4.49Å; P458-M462 WeakPolarHBondContact O-CG 3.5Å; P458-M462 PolarHBondContact O-N 3.33Å; I459-M462 HydrophobicContact CD1-CE 3.48Å; I459-M462 VanDerWaalsContact CD1-CE 3.48Å; I459-M462 PolarHBondContact O-N 3.25Å; M462-Q465 PolarHBondContact O-N 2.93Å; M462-M466 WeakPolarHBondContact O-CG 3.48Å; M462-M466 PolarHBondContact O-N 2.89Å; M462-L594 HydrophobicContact CB-CD1 4.37Å; M462-L594 HydrophobicContact CB-CD2 4.15Å; M462-L594 HydrophobicContact CE-CD1 4.41Å; M462-L598 HydrophobicContact SD-CD1 4.16Å; M462-L598 HydrophobicContact SD-CD2 4.1Å; M462-L598 HydrophobicContact SD-CG 4.3Å; M462-Y821 HydrophobicContact CE-CD2 3.96Å; M462-Y821 HydrophobicContact CE-CE2 3.97Å; M462-Y821 HydrophobicContact SD-CD2 4.37Å; M462-Y821 HydrophobicContact SD-CE2 3.85Å
463	C	98.7	Very high	98.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-45.7	171.2	-73.8	0	0	0	0	111.4	I459 A460 L461 Q465 M466 G467 I468 M470	I459-C463 WeakPolarHBondContact O-CB 3.35Å; I459-C463 PolarHBondContact O-N 3.44Å; I459-C463 PolarHBondContact O-SG 3.11Å; A460-C463 PolarHBondContact O-N 2.68Å; L461-C463 VanDerWaalsContact C-N 3.34Å; L461-C463 PolarHBondContact O-N 2.85Å; C463-Q465 PolarHBondContact O-N 3.48Å; C463-M466 CarbonylContact O-C 3.55Å; C463-M466 PolarHBondContact O-N 3.4Å; C463-G467 PolarHBondContact O-N 3.13Å; C463-I468 HydrophobicContact CB-CB 4.19Å; C463-I468 PolarHBondContact O-N 2.97Å; C463-M470 HydrophobicContact CB-CG 4.49Å; C463-M470 HydrophobicContact CB-SD 4.37Å
464	E	98.2	Very high	98	Very high	65 Å²	65	37 Å²	37	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-44.7	175.5	179.7	53.2	-132.3	0	0	111.4	C281 F284 K338 A460 L461 M466 G467	C281-E464 HydrophobicContact CB-CG 4.36Å; F284-E464 HydrophobicContact CE2-CB 4.41Å; F284-E464 HydrophobicContact CE2-CG 3.96Å; F284-E464 HydrophobicContact CZ-CB 3.79Å; F284-E464 HydrophobicContact CZ-CG 3.84Å; K338-E464 WeakPolarHBondContact CE-O 3.48Å; K338-E464 PolarHBondContact NZ-O 2.98Å; K338-E464 IonicContact NZ-OE1 3.84Å; K338-E464 PolarHBondContact NZ-OE1 3.02Å; A460-E464 PolarHBondContact O-N 3.42Å; L461-E464 PolarHBondContact O-N 3.35Å; E464-M466 PolarHBondContact O-N 3.33Å; E464-G467 PolarHBondContact O-N 2.75Å; E464-G467 VanDerWaalsContact O-N 3.16Å
465	Q	98.4	Very high	97.7	Very high	24 Å²	24	45.9 Å²	45.9	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-35	176.5	-74.6	174.6	-29	0	0	112.6	C337 T379 V381 L461 M462 C463	C337-Q465 HydrophobicContact CB-CG 4.36Å; C337-Q465 WeakPolarHBondContact O-CG 3.47Å; C337-Q465 PolarHBondContact O-NE2 3.41Å; T379-Q465 PolarHBondContact O-NE2 3.04Å; V381-Q465 HydrophobicContact CG2-CB 3.6Å; V381-Q465 HydrophobicContact CG2-CG 4.41Å; L461-Q465 HydrophobicContact CD1-CG 4.47Å; L461-Q465 WeakPolarHBondContact O-CG 3.15Å; L461-Q465 PolarHBondContact O-N 3Å; M462-Q465 PolarHBondContact O-N 2.93Å; C463-Q465 PolarHBondContact O-N 3.48Å
466	M	98	Very high	97.6	Very high	68 Å²	68	51 Å²	51	34%	0.335	25%	0.251	S	S	.	.	H	α-helix	trans	-95.6	-6	-179.5	-63.9	-178.3	65.8	0	0	114.3	V381 M462 C463 E464 I468 L594 K597	V381-M466 HydrophobicContact CG1-SD 4.14Å; V381-M466 HydrophobicContact CG2-CG 3.78Å; V381-M466 HydrophobicContact CG2-SD 4.16Å; M462-M466 WeakPolarHBondContact O-CG 3.48Å; M462-M466 PolarHBondContact O-N 2.89Å; C463-M466 CarbonylContact O-C 3.55Å; C463-M466 PolarHBondContact O-N 3.4Å; E464-M466 PolarHBondContact O-N 3.33Å; M466-I468 VanDerWaalsContact C-N 3.31Å; M466-I468 HydrophobicContact CB-CD1 3.83Å; M466-I468 HydrophobicContact CB-CG1 3.91Å; M466-I468 HydrophobicContact CE-CD1 3.98Å; M466-I468 HydrophobicContact SD-CD1 4.13Å; M466-L594 HydrophobicContact SD-CD2 3.47Å; M466-L594 WeakPolarHBondContact SD-CD2 3.39Å; M466-K597 HydrophobicContact CE-CB 3.96Å; M466-K597 HydrophobicContact CE-CD 4.44Å; M466-K597 HydrophobicContact CE-CG 4.14Å; M466-K597 HydrophobicContact SD-CB 3.89Å; M466-K597 HydrophobicContact SD-CG 3.95Å
467	G	97.3	Very high	97.5	Very high	58 Å²	58	52 Å²	52	60%	0.598	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	28.9	-172.9	0	0	0	0	0	113.9	C463 E464	C463-G467 PolarHBondContact O-N 3.13Å; E464-G467 PolarHBondContact O-N 2.75Å; E464-G467 VanDerWaalsContact O-N 3.16Å
468	I	97.8	Very high	97.5	Very high	32 Å²	32	54 Å²	54	16%	0.164	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-87.2	129.1	177.8	-65.1	170.6	0	0	0	109.4	C463 M466 L587 K589 V593 L594	C463-I468 HydrophobicContact CB-CB 4.19Å; C463-I468 PolarHBondContact O-N 2.97Å; M466-I468 VanDerWaalsContact C-N 3.31Å; M466-I468 HydrophobicContact CB-CD1 3.83Å; M466-I468 HydrophobicContact CB-CG1 3.91Å; M466-I468 HydrophobicContact CE-CD1 3.98Å; M466-I468 HydrophobicContact SD-CD1 4.13Å; I468-L587 HydrophobicContact CG2-CD1 3.89Å; I468-K589 HydrophobicContact CG2-CB 4.28Å; I468-K589 HydrophobicContact CG2-CG 4.13Å; I468-V593 HydrophobicContact CD1-CG2 3.59Å; I468-L594 HydrophobicContact CD1-CD2 3.89Å
469	R	96.1	Very high	97.5	Very high	223 Å²	223	54 Å²	54	84%	0.842	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-91	137.9	171.7	-67.6	-170.1	-70.4	177.1	-2.1	110.5
470	M	97.3	Very high	97.4	Very high	36 Å²	36	54.2 Å²	54.2	18%	0.177	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-101.7	150	173.3	-54.3	-179	-65	0	0	109	Y283 V451 C454 A460 C463 T585 L587	Y283-M470 HydrophobicContact CD2-CE 3.97Å; Y283-M470 HydrophobicContact CE2-CE 3.59Å; V451-M470 HydrophobicContact CG2-SD 4.04Å; C454-M470 HydrophobicContact CB-CE 4.24Å; A460-M470 HydrophobicContact CB-CE 3.94Å; C463-M470 HydrophobicContact CB-CG 4.49Å; C463-M470 HydrophobicContact CB-SD 4.37Å; M470-T585 HydrophobicContact CB-CG2 4.05Å; M470-L587 HydrophobicContact CG-CD1 3.89Å; M470-L587 HydrophobicContact SD-CD1 4.45Å
471	H	97.6	Very high	97.3	Very high	52 Å²	52	56 Å²	56	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.2	175.9	175.6	64.1	0	0	0	109.6	L473 T585 L586 T588 D691 P714	H471-L473 PolarHBondContact O-N 3Å; H471-T585 CarbonylContact O-C 3.57Å; H471-T585 WeakPolarHBondContact O-CA 3.47Å; H471-T585 WeakPolarHBondContact O-CB 3.25Å; H471-L586 HydrophobicContact CB-CB 4.35Å; H471-L586 PolarHBondContact N-O 2.91Å; H471-L586 PolarHBondContact O-N 3.25Å; H471-T588 HydrophobicContact CB-CG2 3.87Å; H471-D691 IonicContact CD2-OD1 2.78Å; H471-D691 IonicContact CE1-OD1 3.57Å; H471-D691 IonicContact NE2-OD1 3.78Å; H471-D691 PolarHBondContact NE2-OD1 2.93Å; H471-D691 IonicContact NE2-OD2 3.04Å; H471-D691 PolarHBondContact NE2-OD2 3.1Å; H471-P714 HydrophobicContact CB-CG 3.99Å; H471-P714 WeakPolarHBondContact CD2-CG 3.25Å; H471-P714 VanDerWaalsContact CG-CG 3.46Å
472	K	97.8	Very high	97.1	Very high	111 Å²	111	59.2 Å²	59.2	48%	0.483	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.9	174.8	172	179.3	177.6	153.2	0	109.3	D583	K472-D583 HydrophobicContact CD-CB 4.25Å; K472-D583 WeakPolarHBondContact CD-OD1 3.29Å; K472-D583 WeakPolarHBondContact CE-OD1 3.29Å; K472-D583 HydrophobicContact CG-CB 4.11Å; K472-D583 IonicContact NZ-OD1 3.93Å; K472-D583 PolarHBondContact NZ-OD1 3Å
473	L	97.1	Very high	96.9	Very high	22 Å²	22	60.6 Å²	60.6	12%	0.115	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-72.5	132.1	174.1	-64.8	173.9	0	0	0	110.3	I450 H471 H584 L586 D691 Y692	I450-L473 HydrophobicContact CD1-CD1 4.43Å; I450-L473 HydrophobicContact CG1-CD1 4.5Å; I450-L473 HydrophobicContact CG2-CD1 4.3Å; H471-L473 PolarHBondContact O-N 3Å; L473-H584 HydrophobicContact CD1-CB 4.45Å; L473-H584 PolarHBondContact N-O 2.88Å; L473-L586 HydrophobicContact CD2-CB 4.11Å; L473-D691 WeakPolarHBondContact CA-OD2 3.04Å; L473-D691 HydrophobicContact CD2-CB 3.97Å; L473-Y692 HydrophobicContact CB-CE1 3.88Å; L473-Y692 HydrophobicContact CD1-CE1 4.07Å; L473-Y692 HydrophobicContact CD2-CD1 4.36Å; L473-Y692 HydrophobicContact CD2-CE1 3.93Å; L473-Y692 HydrophobicContact CG-CE1 4.15Å
474	G	95.6	Very high	96.6	Very high	31 Å²	31	61.1 Å²	61.1	32%	0.32	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-73.4	156.6	175.2	0	0	0	0	0	112.8	D691 Y692	G474-D691 PolarHBondContact N-OD2 3.09Å; G474-Y692 VanDerWaalsContact O-CZ 3.31Å; G474-Y692 PolarHBondContact O-OH 3.26Å
475	E	93.9	Very high	96.5	Very high	186 Å²	186	66.9 Å²	66.9	87%	0.869	33%	0.332	S	S	*	.	S	Bend	trans	-78.1	-19.9	-176.9	-65.6	175.9	-177	0	0	113.5	C477	E475-C477 PolarHBondContact O-N 3.45Å
476	R	95.8	Very high	96.4	Very high	113 Å²	113	68.5 Å²	68.5	43%	0.426	35%	0.349	S	S	.	.			trans	-73	120	-176.1	-175.2	179.5	178.2	-173.6	-2.8	110.7	D478 A690	R476-D478 WeakPolarHBondContact CG-OD1 3.45Å; R476-D478 IonicContact CZ-OD2 3.47Å; R476-D478 VanDerWaalsContact CZ-OD2 3.23Å; R476-D478 IonicContact NE-OD1 3.38Å; R476-D478 PolarHBondContact NE-OD1 3.07Å; R476-D478 IonicContact NE-OD2 2.78Å; R476-D478 PolarHBondContact NE-OD2 3.4Å; R476-D478 IonicContact NH2-OD1 2.62Å; R476-D478 IonicContact NH2-OD2 3.43Å; R476-D478 PolarHBondContact NH2-OD2 3.28Å; R476-A690 HydrophobicContact CB-CB 4.5Å; R476-A690 HydrophobicContact CG-CB 4.4Å
477	C	96.3	Very high	96.3	Very high	38 Å²	38	65.9 Å²	65.9	26%	0.257	34%	0.337	S	S	.	.			trans	-135.8	91.5	171	-179	0	0	0	0	109.1	E475 Y692	E475-C477 PolarHBondContact O-N 3.45Å; C477-Y692 HydrophobicContact CB-CD2 3.72Å; C477-Y692 HydrophobicContact CB-CE2 3.78Å
478	D	97.6	Very high	96.3	Very high	44 Å²	44	67.4 Å²	67.4	24%	0.235	33%	0.332	C	S	.	.			trans	-73.2	137.9	179.8	-61.8	-18.3	0	0	0	110.1	R476 F480 G694	R476-D478 WeakPolarHBondContact CG-OD1 3.45Å; R476-D478 IonicContact CZ-OD2 3.47Å; R476-D478 VanDerWaalsContact CZ-OD2 3.23Å; R476-D478 IonicContact NE-OD1 3.38Å; R476-D478 PolarHBondContact NE-OD1 3.07Å; R476-D478 IonicContact NE-OD2 2.78Å; R476-D478 PolarHBondContact NE-OD2 3.4Å; R476-D478 IonicContact NH2-OD1 2.62Å; R476-D478 IonicContact NH2-OD2 3.43Å; R476-D478 PolarHBondContact NH2-OD2 3.28Å; D478-F480 HydrophobicContact CB-CD2 4.42Å; D478-F480 HydrophobicContact CB-CE2 3.62Å; D478-F480 HydrophobicContact CB-CZ 3.89Å; D478-F480 WeakPolarHBondContact O-CD2 3.41Å; D478-G694 PolarHBondContact O-N 3.03Å
479	L	98.3	Very high	96.3	Very high	7 Å²	7	70 Å²	70	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.2	179.5	-55	-172.9	0	0	0	111.3	T487 D492 V547 F550 I696	L479-T487 VanDerWaalsContact O-CB 3.31Å; L479-T487 WeakPolarHBondContact O-CB 3.33Å; L479-T487 PolarHBondContact O-N 3.17Å; L479-T487 PolarHBondContact O-OG1 3.49Å; L479-D492 WeakPolarHBondContact CD1-OD1 3.38Å; L479-V547 HydrophobicContact CD1-CG1 4.01Å; L479-F550 HydrophobicContact CD1-CD1 3.9Å; L479-F550 HydrophobicContact CD1-CE1 4.1Å; L479-F550 HydrophobicContact CD2-CD1 3.88Å; L479-F550 HydrophobicContact CD2-CD2 4.36Å; L479-F550 HydrophobicContact CD2-CE1 3.39Å; L479-F550 HydrophobicContact CD2-CE2 3.91Å; L479-F550 HydrophobicContact CD2-CG 4.34Å; L479-F550 HydrophobicContact CD2-CZ 3.41Å; L479-F550 VanDerWaalsContact CD2-CZ 3.41Å; L479-F550 HydrophobicContact CG-CE1 4.4Å; L479-I696 HydrophobicContact CB-CD1 3.83Å; L479-I696 HydrophobicContact CB-CG1 3.97Å
480	F	97.8	Very high	96.3	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.1	-178.2	-66.2	-84.8	0	0	0	112.1	D478 A486 K686 I687 F693 G694 I696 L752	D478-F480 HydrophobicContact CB-CD2 4.42Å; D478-F480 HydrophobicContact CB-CE2 3.62Å; D478-F480 HydrophobicContact CB-CZ 3.89Å; D478-F480 WeakPolarHBondContact O-CD2 3.41Å; F480-A486 HydrophobicContact CD1-CB 4.08Å; F480-A486 HydrophobicContact CE1-CB 3.78Å; F480-K686 HydrophobicContact CD1-CD 4Å; F480-K686 HydrophobicContact CE1-CD 3.53Å; F480-K686 HydrophobicContact CE1-CG 3.68Å; F480-K686 HydrophobicContact CZ-CD 4.1Å; F480-K686 HydrophobicContact CZ-CG 3.89Å; F480-I687 HydrophobicContact CD2-CD1 4.28Å; F480-I687 HydrophobicContact CE2-CD1 3.39Å; F480-I687 HydrophobicContact CZ-CD1 3.67Å; F480-F693 HydrophobicContact CD2-CB 3.98Å; F480-F693 HydrophobicContact CD2-CD2 4.15Å; F480-F693 HydrophobicContact CD2-CG 4.42Å; F480-F693 HydrophobicContact CE2-CB 3.83Å; F480-F693 HydrophobicContact CE2-CG 4.44Å; F480-G694 PolarHBondContact N-O 3.27Å; F480-I696 WeakPolarHBondContact O-CB 3.41Å; F480-I696 PolarHBondContact O-N 3.47Å; F480-L752 HydrophobicContact CB-CD2 3.87Å
481	Q	96.1	Very high	96.4	Very high	41 Å²	41	61.6 Å²	61.6	19%	0.192	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149.3	173.3	-60	163.7	49.1	0	0	109.7	G483 G484 R485 T487 L543 I696	Q481-G483 PolarHBondContact O-N 3.45Å; Q481-G484 PolarHBondContact O-N 2.71Å; Q481-R485 PolarHBondContact N-O 3.45Å; Q481-T487 PolarHBondContact NE2-OG1 3.11Å; Q481-L543 HydrophobicContact CG-CD1 3.74Å; Q481-I696 HydrophobicContact CG-CB 4.48Å; Q481-I696 HydrophobicContact CG-CD1 3.81Å
482	E	95.2	Very high	96.4	Very high	81 Å²	81	61.3 Å²	61.3	38%	0.379	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	135.4	160.7	-67.1	-175.7	-179.5	0	0	109.4	H695 P698 E751	E482-H695 IonicContact OE1-NE2 2.66Å; E482-P698 WeakPolarHBondContact OE1-CG 3.12Å; E482-E751 HydrophobicContact CB-CB 4Å; E482-E751 HydrophobicContact CG-CB 3.96Å
483	G	93.9	Very high	96.4	Very high	32 Å²	32	63.4 Å²	63.4	33%	0.33	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	0	-164.9	0	0	0	0	0	114.5	Q481 E751 T754	Q481-G483 PolarHBondContact O-N 3.45Å; G483-E751 CarbonylContact C-O 3.57Å; G483-E751 WeakPolarHBondContact CA-O 3.37Å; G483-E751 PolarHBondContact N-O 3Å; G483-T754 PolarHBondContact O-OG1 2.6Å
484	G	93.6	Very high	96.4	Very high	12 Å²	12	68.2 Å²	68.2	12%	0.124	36%	0.356	C	S	.	.	S	Bend	trans	85.1	6.2	163.9	0	0	0	0	0	117	Q481 K686 E751 L752	Q481-G484 PolarHBondContact O-N 2.71Å; G484-K686 PolarHBondContact O-NZ 2.83Å; G484-E751 PolarHBondContact N-O 3.02Å; G484-L752 VanDerWaalsContact CA-O 3.26Å; G484-L752 WeakPolarHBondContact CA-O 3.04Å
485	R	94.9	Very high	96.6	Very high	186 Å²	186	66.8 Å²	66.8	70%	0.702	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-86.2	133.5	179.7	-70.1	-176.1	-114.1	178.2	-1.1	111.4	Q481	Q481-R485 PolarHBondContact N-O 3.45Å
486	A	95.8	Very high	96.8	Very high	58 Å²	58	61.2 Å²	61.2	48%	0.479	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-71.3	144.1	166.1	0	0	0	0	0	110.1	F480	F480-A486 HydrophobicContact CD1-CB 4.08Å; F480-A486 HydrophobicContact CE1-CB 3.78Å
487	T	97.3	Very high	96.9	Very high	14 Å²	14	62.3 Å²	62.3	9%	0.086	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-72	140.7	176	-61.7	0	0	0	0	110.9	L479 Q481 P489 I491 D492 V547 I696	L479-T487 VanDerWaalsContact O-CB 3.31Å; L479-T487 WeakPolarHBondContact O-CB 3.33Å; L479-T487 PolarHBondContact O-N 3.17Å; L479-T487 PolarHBondContact O-OG1 3.49Å; Q481-T487 PolarHBondContact NE2-OG1 3.11Å; T487-P489 WeakPolarHBondContact O-CD 3.26Å; T487-I491 HydrophobicContact CG2-CB 4.08Å; T487-I491 HydrophobicContact CG2-CG2 4.04Å; T487-D492 HydrophobicContact CG2-CB 4.43Å; T487-V547 HydrophobicContact CG2-CG2 4.09Å; T487-I696 HydrophobicContact CG2-CD1 4.4Å; T487-I696 WeakPolarHBondContact OG1-CD1 3.37Å
488	D	97.5	Very high	97	Very high	90 Å²	90	61.8 Å²	61.8	48%	0.481	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-58.3	125.7	175	-174.4	-31.8	0	0	0	109.3	A490 I491 D492	D488-A490 PolarHBondContact O-N 3.3Å; D488-A490 WeakPolarHBondContact OD1-CB 3.33Å; D488-A490 PolarHBondContact OD1-N 2.96Å; D488-I491 HydrophobicContact CB-CB 4.37Å; D488-I491 HydrophobicContact CB-CD1 4.05Å; D488-I491 HydrophobicContact CB-CG1 4.08Å; D488-I491 WeakPolarHBondContact O-CB 3.39Å; D488-I491 PolarHBondContact O-N 2.9Å; D488-D492 PolarHBondContact O-N 3.03Å
489	P	96.4	Very high	97	Very high	85 Å²	85	60.8 Å²	60.8	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-53.7	-25.4	177.6	-27.8	35.3	0	0	0	114.5	T487 K493	T487-P489 WeakPolarHBondContact O-CD 3.26Å; P489-K493 WeakPolarHBondContact O-CB 3.4Å; P489-K493 VanDerWaalsContact O-CG 3.27Å; P489-K493 WeakPolarHBondContact O-CG 3.3Å; P489-K493 PolarHBondContact O-N 3.4Å; P489-K493 VanDerWaalsContact O-N 3.13Å
490	A	97.7	Very high	97	Very high	53 Å²	53	63.6 Å²	63.6	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-73.5	-33.8	175	0	0	0	0	0	112.8	D488 R494	D488-A490 PolarHBondContact O-N 3.3Å; D488-A490 WeakPolarHBondContact OD1-CB 3.33Å; D488-A490 PolarHBondContact OD1-N 2.96Å; A490-R494 VanDerWaalsContact O-CB 3.24Å; A490-R494 WeakPolarHBondContact O-CB 3.46Å; A490-R494 PolarHBondContact O-N 2.84Å
491	I	98.1	Very high	97	Very high	30 Å²	30	64.7 Å²	64.7	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-72.7	-47.1	174.6	-65.9	176.3	0	0	0	109.4	T487 D488 K493 R494 M495 L543 E544 V547	T487-I491 HydrophobicContact CG2-CB 4.08Å; T487-I491 HydrophobicContact CG2-CG2 4.04Å; D488-I491 HydrophobicContact CB-CB 4.37Å; D488-I491 HydrophobicContact CB-CD1 4.05Å; D488-I491 HydrophobicContact CB-CG1 4.08Å; D488-I491 WeakPolarHBondContact O-CB 3.39Å; D488-I491 PolarHBondContact O-N 2.9Å; I491-K493 PolarHBondContact O-N 3.14Å; I491-R494 WeakPolarHBondContact O-CB 3.26Å; I491-R494 PolarHBondContact O-N 3.25Å; I491-R494 VanDerWaalsContact O-N 3.14Å; I491-M495 HydrophobicContact CG2-CG 4.32Å; I491-M495 WeakPolarHBondContact O-CG 3.49Å; I491-M495 PolarHBondContact O-N 2.99Å; I491-L543 HydrophobicContact CD1-CD2 3.86Å; I491-E544 HydrophobicContact CG2-CG 3.9Å; I491-V547 HydrophobicContact CG2-CG2 4.34Å
492	D	97.6	Very high	97.1	Very high	46 Å²	46	63.2 Å²	63.2	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-53	-56.7	177.5	-179.4	25.8	0	0	0	111.2	L479 T487 D488 R494 M495 D496	L479-D492 WeakPolarHBondContact CD1-OD1 3.38Å; T487-D492 HydrophobicContact CG2-CB 4.43Å; D488-D492 PolarHBondContact O-N 3.03Å; D492-R494 VanDerWaalsContact C-N 3.28Å; D492-R494 PolarHBondContact O-N 3.44Å; D492-M495 PolarHBondContact O-N 3.32Å; D492-D496 WeakPolarHBondContact O-CB 3.49Å; D492-D496 PolarHBondContact O-N 3.21Å
493	K	97.6	Very high	97.3	Very high	156 Å²	156	60.3 Å²	60.3	68%	0.678	32%	0.319	S	S	*	.	H	α-helix	trans	-59.3	-34.9	176.8	-72.4	177.4	-178.8	-178.4	0	114.1	P489 I491 F497	P489-K493 WeakPolarHBondContact O-CB 3.4Å; P489-K493 VanDerWaalsContact O-CG 3.27Å; P489-K493 WeakPolarHBondContact O-CG 3.3Å; P489-K493 PolarHBondContact O-N 3.4Å; P489-K493 VanDerWaalsContact O-N 3.13Å; I491-K493 PolarHBondContact O-N 3.14Å; K493-F497 WeakPolarHBondContact O-CB 3.35Å; K493-F497 PolarHBondContact O-N 3.48Å; K493-F497 VanDerWaalsContact O-N 3.09Å
494	R	98.1	Very high	97.5	Very high	123 Å²	123	63.9 Å²	63.9	46%	0.464	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-43.2	179.1	-179	-170.2	-58.3	174.1	1.1	110.9	A490 I491 D492 F497 H498 E544	A490-R494 VanDerWaalsContact O-CB 3.24Å; A490-R494 WeakPolarHBondContact O-CB 3.46Å; A490-R494 PolarHBondContact O-N 2.84Å; I491-R494 WeakPolarHBondContact O-CB 3.26Å; I491-R494 PolarHBondContact O-N 3.25Å; I491-R494 VanDerWaalsContact O-N 3.14Å; D492-R494 VanDerWaalsContact C-N 3.28Å; D492-R494 PolarHBondContact O-N 3.44Å; R494-F497 WeakPolarHBondContact O-CB 3.36Å; R494-F497 PolarHBondContact O-N 3.22Å; R494-H498 PolarHBondContact O-CD2 3.33Å; R494-H498 VanDerWaalsContact O-CD2 3.24Å; R494-H498 PolarHBondContact O-N 3.16Å; R494-E544 VanDerWaalsContact CD-OE1 3.27Å; R494-E544 WeakPolarHBondContact CD-OE1 3.5Å; R494-E544 IonicContact CZ-OE1 3.45Å; R494-E544 IonicContact NE-OE1 3.6Å; R494-E544 IonicContact NH1-OE1 2.73Å; R494-E544 PolarHBondContact NH1-OE1 3.04Å
495	M	98.3	Very high	97.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-76.8	-33.8	-178.1	-64.7	-42.2	-59.9	0	0	112.4	I491 D492 F497 H498 F499 F540 E544 V547 L548	I491-M495 HydrophobicContact CG2-CG 4.32Å; I491-M495 WeakPolarHBondContact O-CG 3.49Å; I491-M495 PolarHBondContact O-N 2.99Å; D492-M495 PolarHBondContact O-N 3.32Å; M495-F497 VanDerWaalsContact C-N 3.33Å; M495-H498 HydrophobicContact CE-CB 4.37Å; M495-H498 PolarHBondContact O-N 2.93Å; M495-F499 WeakPolarHBondContact O-CB 3.46Å; M495-F499 PolarHBondContact O-N 3.21Å; M495-F540 HydrophobicContact CE-CD1 4.42Å; M495-F540 HydrophobicContact CE-CD2 4.13Å; M495-F540 HydrophobicContact CE-CE1 4.3Å; M495-F540 HydrophobicContact CE-CE2 3.99Å; M495-F540 HydrophobicContact CE-CG 4.35Å; M495-F540 HydrophobicContact CE-CZ 4.09Å; M495-F540 HydrophobicContact SD-CD1 4.43Å; M495-F540 HydrophobicContact SD-CE1 4.43Å; M495-E544 HydrophobicContact CE-CB 4.25Å; M495-E544 WeakPolarHBondContact CE-O 3.33Å; M495-E544 HydrophobicContact CG-CB 4.02Å; M495-E544 HydrophobicContact CG-CG 4.01Å; M495-E544 HydrophobicContact SD-CB 3.57Å; M495-E544 VanDerWaalsContact SD-CB 3.57Å; M495-E544 HydrophobicContact SD-CG 3.71Å; M495-V547 HydrophobicContact CB-CB 4.09Å; M495-V547 HydrophobicContact CB-CG1 3.53Å; M495-V547 HydrophobicContact CG-CB 4.07Å; M495-V547 HydrophobicContact CG-CG1 4.02Å; M495-L548 HydrophobicContact CE-CB 3.93Å
496	D	98.2	Very high	97.8	Very high	70 Å²	70	57.9 Å²	57.9	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-57.3	-47.4	166.9	177.8	67.9	0	0	0	111	D492 H498 F499 N500 H551	D492-D496 WeakPolarHBondContact O-CB 3.49Å; D492-D496 PolarHBondContact O-N 3.21Å; D496-H498 PolarHBondContact O-N 2.92Å; D496-F499 PolarHBondContact O-N 3.3Å; D496-N500 PolarHBondContact O-N 3.28Å; D496-N500 PolarHBondContact O-ND2 3.44Å; D496-N500 PolarHBondContact OD1-ND2 3.36Å; D496-N500 VanDerWaalsContact OD1-ND2 3.11Å; D496-N500 PolarHBondContact OD2-ND2 2.9Å; D496-H551 IonicContact OD1-CE1 2.68Å
497	F	98.3	Very high	97.9	Very high	136 Å²	136	56.9 Å²	56.9	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-58.4	-47.7	175.7	176.3	-92.2	0	0	0	112.4	K493 R494 M495 N500 A501	K493-F497 WeakPolarHBondContact O-CB 3.35Å; K493-F497 PolarHBondContact O-N 3.48Å; K493-F497 VanDerWaalsContact O-N 3.09Å; R494-F497 WeakPolarHBondContact O-CB 3.36Å; R494-F497 PolarHBondContact O-N 3.22Å; M495-F497 VanDerWaalsContact C-N 3.33Å; F497-N500 PolarHBondContact O-N 3.07Å; F497-A501 VanDerWaalsContact O-CB 3.29Å; F497-A501 WeakPolarHBondContact O-CB 3.48Å; F497-A501 PolarHBondContact O-N 3.46Å
498	H	98.3	Very high	97.9	Very high	27 Å²	27	61.6 Å²	61.6	13%	0.125	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-38.2	179.9	-78.2	-55.8	0	0	0	113	R494 M495 D496 A501 I502 F532 F540	R494-H498 PolarHBondContact O-CD2 3.33Å; R494-H498 VanDerWaalsContact O-CD2 3.24Å; R494-H498 PolarHBondContact O-N 3.16Å; M495-H498 HydrophobicContact CE-CB 4.37Å; M495-H498 PolarHBondContact O-N 2.93Å; D496-H498 PolarHBondContact O-N 2.92Å; H498-A501 PolarHBondContact O-N 3.33Å; H498-I502 WeakPolarHBondContact O-CD1 3.42Å; H498-I502 VanDerWaalsContact O-CG1 3.26Å; H498-I502 WeakPolarHBondContact O-CG1 3.33Å; H498-I502 PolarHBondContact O-N 3.43Å; H498-F532 AromaticContact CE1-CE1 3.83Å; H498-F532 AromaticContact CE1-CZ 3.66Å; H498-F532 AromaticContact ND1-CE1 3.79Å; H498-F532 AromaticContact ND1-CZ 3.82Å; H498-F540 HydrophobicContact CB-CZ 4.28Å; H498-F540 AromaticContact CD2-CE1 3.76Å; H498-F540 AromaticContact CD2-CZ 3.91Å; H498-F540 AromaticContact CG-CZ 3.93Å; H498-F540 AromaticContact NE2-CE1 3.94Å
499	F	98.6	Very high	97.8	Very high	22 Å²	22	59.8 Å²	59.8	10%	0.096	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-50.9	174.8	169.5	-105.7	0	0	0	111.1	M495 D496 A501 I502 L503 L548 H551 L552 L555	M495-F499 WeakPolarHBondContact O-CB 3.46Å; M495-F499 PolarHBondContact O-N 3.21Å; D496-F499 PolarHBondContact O-N 3.3Å; F499-A501 PolarHBondContact O-N 2.88Å; F499-I502 PolarHBondContact O-N 3.16Å; F499-L503 HydrophobicContact CD1-CD1 4.42Å; F499-L503 HydrophobicContact CE1-CD1 3.73Å; F499-L503 HydrophobicContact CE2-CD1 4.18Å; F499-L503 HydrophobicContact CE2-CG 4.49Å; F499-L503 HydrophobicContact CZ-CD1 3.6Å; F499-L503 HydrophobicContact CZ-CG 4.38Å; F499-L503 PolarHBondContact O-N 3.06Å; F499-L548 HydrophobicContact CB-CD1 3.98Å; F499-L548 HydrophobicContact CD2-CD1 4.16Å; F499-H551 HydrophobicContact CB-CB 4.16Å; F499-H551 HydrophobicContact CD1-CB 3.9Å; F499-H551 HydrophobicContact CD2-CB 3.64Å; F499-H551 HydrophobicContact CE1-CB 4.18Å; F499-H551 HydrophobicContact CE2-CB 3.93Å; F499-H551 HydrophobicContact CG-CB 3.61Å; F499-H551 HydrophobicContact CZ-CB 4.18Å; F499-L552 HydrophobicContact CD2-CD2 4.35Å; F499-L552 HydrophobicContact CE2-CD2 4.03Å; F499-L555 HydrophobicContact CE2-CD2 4.37Å; F499-L555 HydrophobicContact CZ-CB 4.41Å; F499-L555 HydrophobicContact CZ-CD2 4.22Å
500	N	98.4	Very high	97.8	Very high	66 Å²	66	57.5 Å²	57.5	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-39.3	178.9	-69.9	-61.9	0	0	0	112.1	D496 F497 I502 L503 D504	D496-N500 PolarHBondContact O-N 3.28Å; D496-N500 PolarHBondContact O-ND2 3.44Å; D496-N500 PolarHBondContact OD1-ND2 3.36Å; D496-N500 VanDerWaalsContact OD1-ND2 3.11Å; D496-N500 PolarHBondContact OD2-ND2 2.9Å; F497-N500 PolarHBondContact O-N 3.07Å; N500-I502 VanDerWaalsContact C-N 3.3Å; N500-I502 PolarHBondContact O-N 3.36Å; N500-L503 CarbonylContact O-C 3.54Å; N500-L503 WeakPolarHBondContact O-CA 3.35Å; N500-L503 WeakPolarHBondContact O-CB 3.27Å; N500-L503 PolarHBondContact O-N 3.05Å; N500-D504 PolarHBondContact O-N 3.36Å
501	A	98.1	Very high	97.6	Very high	31 Å²	31	60.9 Å²	60.9	26%	0.256	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-34.8	175.7	0	0	0	0	0	112.8	F497 H498 F499 D504 V505	F497-A501 VanDerWaalsContact O-CB 3.29Å; F497-A501 WeakPolarHBondContact O-CB 3.48Å; F497-A501 PolarHBondContact O-N 3.46Å; H498-A501 PolarHBondContact O-N 3.33Å; F499-A501 PolarHBondContact O-N 2.88Å; A501-D504 PolarHBondContact O-N 3.34Å; A501-V505 WeakPolarHBondContact O-CG2 3.2Å; A501-V505 PolarHBondContact O-N 2.87Å
502	I	98.2	Very high	97.4	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-43.4	172.7	-69.1	161	0	0	0	110	H498 F499 N500 D504 V505 V506 V525 I528 K529	H498-I502 WeakPolarHBondContact O-CD1 3.42Å; H498-I502 VanDerWaalsContact O-CG1 3.26Å; H498-I502 WeakPolarHBondContact O-CG1 3.33Å; H498-I502 PolarHBondContact O-N 3.43Å; F499-I502 PolarHBondContact O-N 3.16Å; N500-I502 VanDerWaalsContact C-N 3.3Å; N500-I502 PolarHBondContact O-N 3.36Å; I502-D504 VanDerWaalsContact C-N 3.34Å; I502-D504 PolarHBondContact O-N 3.45Å; I502-V505 PolarHBondContact O-N 3.13Å; I502-V506 WeakPolarHBondContact O-CG2 3.16Å; I502-V506 PolarHBondContact O-N 3.44Å; I502-V525 HydrophobicContact CG2-CB 4.24Å; I502-V525 HydrophobicContact CG2-CG1 4.01Å; I502-V525 HydrophobicContact CG2-CG2 4.13Å; I502-I528 HydrophobicContact CB-CG2 4.43Å; I502-I528 HydrophobicContact CG1-CG2 4.27Å; I502-I528 HydrophobicContact CG2-CB 4.19Å; I502-I528 HydrophobicContact CG2-CG2 3.98Å; I502-K529 HydrophobicContact CD1-CB 4.05Å; I502-K529 HydrophobicContact CD1-CG 4.38Å
503	L	98.3	Very high	97.3	Very high	20 Å²	20	64.8 Å²	64.8	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-35	177	-65.4	-178.7	0	0	0	112.8	F499 N500 V505 V506 S507 L521 V525 L555 W571	F499-L503 HydrophobicContact CD1-CD1 4.42Å; F499-L503 HydrophobicContact CE1-CD1 3.73Å; F499-L503 HydrophobicContact CE2-CD1 4.18Å; F499-L503 HydrophobicContact CE2-CG 4.49Å; F499-L503 HydrophobicContact CZ-CD1 3.6Å; F499-L503 HydrophobicContact CZ-CG 4.38Å; F499-L503 PolarHBondContact O-N 3.06Å; N500-L503 CarbonylContact O-C 3.54Å; N500-L503 WeakPolarHBondContact O-CA 3.35Å; N500-L503 WeakPolarHBondContact O-CB 3.27Å; N500-L503 PolarHBondContact O-N 3.05Å; L503-V505 VanDerWaalsContact C-N 3.33Å; L503-V505 PolarHBondContact O-N 3.34Å; L503-V506 WeakPolarHBondContact O-CB 3.43Å; L503-V506 PolarHBondContact O-N 2.68Å; L503-S507 WeakPolarHBondContact O-CB 3.47Å; L503-S507 PolarHBondContact O-N 2.81Å; L503-L521 HydrophobicContact CD2-CD1 4.49Å; L503-V525 HydrophobicContact CD2-CG2 4.34Å; L503-L555 HydrophobicContact CD2-CD2 4.41Å; L503-W571 HydrophobicContact CD1-CH2 4.32Å; L503-W571 HydrophobicContact CD1-CZ2 4.26Å; L503-W571 HydrophobicContact CD2-CZ2 4.43Å
504	D	98.2	Very high	97.1	Very high	107 Å²	107	59.6 Å²	59.6	57%	0.572	31%	0.306	S	S	*	.	H	α-helix	trans	-59.2	-45.6	172.4	-71.6	-28.3	0	0	0	110.8	N500 A501 I502 V506 S507 D508	N500-D504 PolarHBondContact O-N 3.36Å; A501-D504 PolarHBondContact O-N 3.34Å; I502-D504 VanDerWaalsContact C-N 3.34Å; I502-D504 PolarHBondContact O-N 3.45Å; D504-V506 PolarHBondContact O-N 3.06Å; D504-S507 WeakPolarHBondContact O-CA 3.39Å; D504-S507 WeakPolarHBondContact O-CB 3.34Å; D504-S507 PolarHBondContact O-N 3.43Å; D504-S507 VanDerWaalsContact O-N 3.11Å; D504-D508 PolarHBondContact O-N 2.93Å
505	V	97.8	Very high	96.8	Very high	71 Å²	71	58.3 Å²	58.3	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-35.3	176.9	179.3	0	0	0	0	111.9	A501 I502 L503 S507 D508 W509 I528	A501-V505 WeakPolarHBondContact O-CG2 3.2Å; A501-V505 PolarHBondContact O-N 2.87Å; I502-V505 PolarHBondContact O-N 3.13Å; L503-V505 VanDerWaalsContact C-N 3.33Å; L503-V505 PolarHBondContact O-N 3.34Å; V505-S507 VanDerWaalsContact C-N 3.28Å; V505-S507 PolarHBondContact O-N 3.28Å; V505-D508 PolarHBondContact O-N 3.43Å; V505-W509 VanDerWaalsContact O-CB 3.31Å; V505-W509 WeakPolarHBondContact O-CB 3.33Å; V505-W509 PolarHBondContact O-N 2.79Å; V505-I528 HydrophobicContact CB-CD1 4.14Å; V505-I528 HydrophobicContact CB-CG2 4.06Å; V505-I528 HydrophobicContact CG1-CD1 3.8Å; V505-I528 HydrophobicContact CG1-CG1 4.04Å; V505-I528 HydrophobicContact CG1-CG2 3.95Å
506	V	97.9	Very high	96.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-43.5	170.2	174.8	0	0	0	0	110.1	I502 L503 D504 W509 R510 L521 K524 V525 I528 A568	I502-V506 WeakPolarHBondContact O-CG2 3.16Å; I502-V506 PolarHBondContact O-N 3.44Å; L503-V506 WeakPolarHBondContact O-CB 3.43Å; L503-V506 PolarHBondContact O-N 2.68Å; D504-V506 PolarHBondContact O-N 3.06Å; V506-W509 PolarHBondContact O-N 3.19Å; V506-R510 WeakPolarHBondContact O-CG 3.46Å; V506-R510 PolarHBondContact O-N 3.09Å; V506-R510 VanDerWaalsContact O-N 3.15Å; V506-L521 HydrophobicContact CG1-CD1 3.93Å; V506-L521 HydrophobicContact CG2-CD1 4.44Å; V506-K524 HydrophobicContact CG1-CG 4.47Å; V506-K524 HydrophobicContact CG2-CG 4.07Å; V506-V525 HydrophobicContact CG2-CG2 4.25Å; V506-I528 HydrophobicContact CB-CD1 4.31Å; V506-I528 HydrophobicContact CG2-CD1 3.46Å; V506-I528 VanDerWaalsContact CG2-CD1 3.46Å; V506-A568 HydrophobicContact CG1-CB 4.39Å
507	S	96.6	Very high	96.5	Very high	38 Å²	38	65.3 Å²	65.3	27%	0.266	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-41.6	179.3	-162.7	0	0	0	0	112	L503 D504 V505 R510 N511	L503-S507 WeakPolarHBondContact O-CB 3.47Å; L503-S507 PolarHBondContact O-N 2.81Å; D504-S507 WeakPolarHBondContact O-CA 3.39Å; D504-S507 WeakPolarHBondContact O-CB 3.34Å; D504-S507 PolarHBondContact O-N 3.43Å; D504-S507 VanDerWaalsContact O-N 3.11Å; V505-S507 VanDerWaalsContact C-N 3.28Å; V505-S507 PolarHBondContact O-N 3.28Å; S507-R510 WeakPolarHBondContact O-CG 3.24Å; S507-R510 PolarHBondContact OG-NE 2.97Å; S507-R510 PolarHBondContact OG-NH2 2.85Å; S507-N511 PolarHBondContact O-ND2 2.95Å; S507-N511 PolarHBondContact O-OD1 3.29Å
508	D	97.2	Very high	96.4	Very high	112 Å²	112	59.7 Å²	59.7	60%	0.599	32%	0.324	S	S	*	.	H	α-helix	trans	-64.7	-43.8	173.8	-77.8	-17.3	0	0	0	111.8	D504 V505 R510 N511	D504-D508 PolarHBondContact O-N 2.93Å; V505-D508 PolarHBondContact O-N 3.43Å; D508-R510 VanDerWaalsContact C-N 3.29Å; D508-R510 PolarHBondContact O-N 2.87Å; D508-N511 PolarHBondContact O-N 3.16Å
509	W	97.2	Very high	96.4	Very high	53 Å²	53	59.8 Å²	59.8	20%	0.201	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-35.8	-179.6	165.3	85.3	0	0	0	113.1	V505 V506 K513 K524 A568 R569	V505-W509 VanDerWaalsContact O-CB 3.31Å; V505-W509 WeakPolarHBondContact O-CB 3.33Å; V505-W509 PolarHBondContact O-N 2.79Å; V506-W509 PolarHBondContact O-N 3.19Å; W509-K513 HydrophobicContact CD2-CG 4.48Å; W509-K513 HydrophobicContact CZ2-CG 4.25Å; W509-K513 WeakPolarHBondContact O-CE 3.37Å; W509-K513 WeakPolarHBondContact O-CG 3.42Å; W509-K513 PolarHBondContact O-NZ 2.92Å; W509-K513 VanDerWaalsContact O-NZ 3.1Å; W509-K524 HydrophobicContact CD2-CD 4.04Å; W509-K524 HydrophobicContact CD2-CG 4.36Å; W509-K524 HydrophobicContact CE3-CD 4.38Å; W509-K524 HydrophobicContact CE3-CG 4.22Å; W509-K524 HydrophobicContact CG-CD 4.32Å; W509-A568 HydrophobicContact CH2-CB 4.33Å; W509-A568 HydrophobicContact CZ3-CB 3.72Å; W509-R569 HydrophobicContact CH2-CG 4.46Å; W509-R569 HydrophobicContact CZ3-CG 4.11Å
510	R	96.5	Very high	96.4	Very high	37 Å²	37	59.7 Å²	59.7	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-80.5	-15.5	-174.3	61.1	172.2	178.5	-169.7	-8	115	V506 S507 D508 D512 K513 R569 D572	V506-R510 WeakPolarHBondContact O-CG 3.46Å; V506-R510 PolarHBondContact O-N 3.09Å; V506-R510 VanDerWaalsContact O-N 3.15Å; S507-R510 WeakPolarHBondContact O-CG 3.24Å; S507-R510 PolarHBondContact OG-NE 2.97Å; S507-R510 PolarHBondContact OG-NH2 2.85Å; D508-R510 VanDerWaalsContact C-N 3.29Å; D508-R510 PolarHBondContact O-N 2.87Å; R510-D512 VanDerWaalsContact C-N 3.27Å; R510-D512 PolarHBondContact O-N 3.13Å; R510-K513 PolarHBondContact O-N 2.85Å; R510-K513 VanDerWaalsContact O-N 3.11Å; R510-R569 HydrophobicContact CB-CB 4.44Å; R510-R569 HydrophobicContact CB-CG 3.92Å; R510-R569 WeakPolarHBondContact CD-O 3.33Å; R510-R569 PolarHBondContact NH1-O 2.85Å; R510-D572 IonicContact CZ-OD1 3.84Å; R510-D572 IonicContact CZ-OD2 3.57Å; R510-D572 IonicContact NH1-OD1 2.79Å; R510-D572 PolarHBondContact NH1-OD1 2.89Å; R510-D572 IonicContact NH1-OD2 2.67Å; R510-D572 PolarHBondContact NH1-OD2 2.93Å; R510-D572 IonicContact NH2-OD1 3.69Å; R510-D572 PolarHBondContact NH2-OD1 3.34Å; R510-D572 IonicContact NH2-OD2 2.71Å; R510-D572 PolarHBondContact NH2-OD2 3.31Å
511	N	93.5	Very high	96.4	Very high	123 Å²	123	56.5 Å²	56.5	66%	0.658	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-34.1	-168.7	-77.8	-30.5	0	0	0	114.3	S507 D508	S507-N511 PolarHBondContact O-ND2 2.95Å; S507-N511 PolarHBondContact O-OD1 3.29Å; D508-N511 PolarHBondContact O-N 3.16Å
512	D	92.5	Very high	96.4	Very high	115 Å²	115	55.3 Å²	55.3	62%	0.615	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	6.8	-178.3	65.7	-41.5	0	0	0	113.2	R510	R510-D512 VanDerWaalsContact C-N 3.27Å; R510-D512 PolarHBondContact O-N 3.13Å
513	K	95.2	Very high	96.4	Very high	43 Å²	43	60.3 Å²	60.3	19%	0.187	33%	0.327	C	S	.	.			trans	-90.1	143.7	-175.6	-55.8	-62	179.9	-79	0	110.9	W509 R510 Q517 R569	W509-K513 HydrophobicContact CD2-CG 4.48Å; W509-K513 HydrophobicContact CZ2-CG 4.25Å; W509-K513 WeakPolarHBondContact O-CE 3.37Å; W509-K513 WeakPolarHBondContact O-CG 3.42Å; W509-K513 PolarHBondContact O-NZ 2.92Å; W509-K513 VanDerWaalsContact O-NZ 3.1Å; R510-K513 PolarHBondContact O-N 2.85Å; R510-K513 VanDerWaalsContact O-N 3.11Å; K513-Q517 HydrophobicContact CB-CB 4.31Å; K513-Q517 HydrophobicContact CD-CB 4.44Å; K513-R569 PolarHBondContact O-NE 2.94Å; K513-R569 PolarHBondContact O-NH2 3.17Å
514	S	94.7	Very high	96.4	Very high	47 Å²	47	60.1 Å²	60.1	33%	0.329	33%	0.325	S	S	.	.			trans	-90.2	172.2	170.8	64.3	0	0	0	0	112.1	S516 Q517 D518 R569	S514-S516 VanDerWaalsContact C-N 3.28Å; S514-S516 PolarHBondContact O-N 3.17Å; S514-S516 PolarHBondContact OG-OG 3.08Å; S514-S516 VanDerWaalsContact OG-OG 3.07Å; S514-Q517 PolarHBondContact O-N 3.22Å; S514-Q517 WeakPolarHBondContact OG-CG 3.21Å; S514-Q517 PolarHBondContact OG-OE1 3.33Å; S514-D518 PolarHBondContact O-N 3.07Å; S514-R569 WeakPolarHBondContact O-CD 3.41Å; S514-R569 PolarHBondContact O-NH1 3.1Å
515	Q	90.7	Very high	96.4	Very high	96 Å²	96	55.1 Å²	55.1	45%	0.449	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-61.6	-35.9	178.4	-73.9	-173.7	-59.9	0	0	112.7	Q517 D518 R569 F570 G786	Q515-Q517 PolarHBondContact O-N 2.7Å; Q515-D518 VanDerWaalsContact O-CB 3.3Å; Q515-D518 WeakPolarHBondContact O-CB 3.46Å; Q515-D518 PolarHBondContact O-N 2.92Å; Q515-R569 VanDerWaalsContact CA-NH1 3.26Å; Q515-F570 HydrophobicContact CG-CE2 4.11Å; Q515-G786 PolarHBondContact NE2-O 3.47Å; Q515-G786 VanDerWaalsContact NE2-O 3.08Å
516	S	93.6	Very high	96.4	Very high	115 Å²	115	55.5 Å²	55.5	80%	0.804	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.6	176.1	46.5	0	0	0	0	113.9	S514	S514-S516 VanDerWaalsContact C-N 3.28Å; S514-S516 PolarHBondContact O-N 3.17Å; S514-S516 PolarHBondContact OG-OG 3.08Å; S514-S516 VanDerWaalsContact OG-OG 3.07Å
517	Q	96.4	Very high	96.4	Very high	102 Å²	102	59.7 Å²	59.7	48%	0.477	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-105.5	11.3	176.7	-64.1	168.9	-69.9	0	0	112	K513 S514 Q515	K513-Q517 HydrophobicContact CB-CB 4.31Å; K513-Q517 HydrophobicContact CD-CB 4.44Å; S514-Q517 PolarHBondContact O-N 3.22Å; S514-Q517 WeakPolarHBondContact OG-CG 3.21Å; S514-Q517 PolarHBondContact OG-OE1 3.33Å; Q515-Q517 PolarHBondContact O-N 2.7Å
518	D	97.9	Very high	96.5	Very high	19 Å²	19	59 Å²	59	10%	0.102	31%	0.308	C	S	.	.			trans	-66.4	155.9	175.2	-165.1	20.3	0	0	0	111	S514 Q515 S567 A568 R569 T784 G785	S514-D518 PolarHBondContact O-N 3.07Å; Q515-D518 VanDerWaalsContact O-CB 3.3Å; Q515-D518 WeakPolarHBondContact O-CB 3.46Å; Q515-D518 PolarHBondContact O-N 2.92Å; D518-S567 VanDerWaalsContact CG-OG 3.25Å; D518-S567 PolarHBondContact OD1-OG 3.45Å; D518-S567 VanDerWaalsContact OD2-CB 3.25Å; D518-S567 WeakPolarHBondContact OD2-CB 3.3Å; D518-S567 PolarHBondContact OD2-OG 3.19Å; D518-A568 PolarHBondContact OD1-N 3.45Å; D518-R569 HydrophobicContact CB-CG 4.3Å; D518-R569 WeakPolarHBondContact OD1-CB 3.27Å; D518-R569 VanDerWaalsContact OD1-CG 3.25Å; D518-R569 WeakPolarHBondContact OD1-CG 3.41Å; D518-R569 PolarHBondContact OD1-N 2.91Å; D518-R569 VanDerWaalsContact OD1-N 3.13Å; D518-T784 HydrophobicContact CB-CG2 4.43Å; D518-T784 WeakPolarHBondContact OD2-CA 3.27Å; D518-G785 PolarHBondContact OD2-N 2.93Å
519	S	97.8	Very high	96.5	Very high	29 Å²	29	54.5 Å²	54.5	20%	0.203	28%	0.283	C	S	.	.			trans	-139.5	158.8	178.1	-55.3	0	0	0	0	109.2	A568 T784	S519-A568 WeakPolarHBondContact O-CB 3.3Å; S519-A568 PolarHBondContact O-N 2.79Å; S519-T784 VanDerWaalsContact C-CG2 3.48Å
520	P	98.6	Very high	96.5	Very high	19 Å²	19	58 Å²	58	12%	0.123	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-59.3	139.7	170.2	-23.6	35.6	0	0	0	112	G522 E523 K524 D564 V566 T784	P520-G522 VanDerWaalsContact C-N 3.3Å; P520-G522 PolarHBondContact O-N 2.94Å; P520-E523 HydrophobicContact CB-CB 4.25Å; P520-E523 HydrophobicContact CB-CG 4.03Å; P520-E523 WeakPolarHBondContact CD-OE2 3.48Å; P520-E523 HydrophobicContact CG-CG 4.17Å; P520-E523 PolarHBondContact O-N 3.24Å; P520-K524 PolarHBondContact O-N 3.49Å; P520-K524 VanDerWaalsContact O-N 3.13Å; P520-D564 WeakPolarHBondContact CB-O 3.5Å; P520-V566 CarbonylContact C-O 3.51Å; P520-V566 WeakPolarHBondContact CA-O 3.29Å; P520-T784 HydrophobicContact CG-CG2 4.27Å
521	L	98.6	Very high	96.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-40.9	179.3	-179.4	57.4	0	0	0	111.3	L503 V506 K524 V525 L555 L563 V566 A568 W571	L503-L521 HydrophobicContact CD2-CD1 4.49Å; V506-L521 HydrophobicContact CG1-CD1 3.93Å; V506-L521 HydrophobicContact CG2-CD1 4.44Å; L521-K524 PolarHBondContact O-N 3.49Å; L521-V525 HydrophobicContact CD1-CG2 4.06Å; L521-V525 HydrophobicContact CG-CG2 4.39Å; L521-V525 WeakPolarHBondContact O-CB 3.37Å; L521-V525 VanDerWaalsContact O-CG2 3.28Å; L521-V525 WeakPolarHBondContact O-CG2 3.12Å; L521-V525 PolarHBondContact O-N 3.4Å; L521-L555 HydrophobicContact CD2-CD2 3.88Å; L521-L563 HydrophobicContact CD2-CD2 4.42Å; L521-L563 PolarHBondContact N-O 3.09Å; L521-V566 HydrophobicContact CB-CB 4.35Å; L521-V566 HydrophobicContact CB-CG1 4.49Å; L521-V566 HydrophobicContact CD2-CG1 4.32Å; L521-V566 PolarHBondContact N-O 3.05Å; L521-A568 HydrophobicContact CB-CB 4.41Å; L521-A568 HydrophobicContact CD1-CB 4.34Å; L521-W571 HydrophobicContact CD2-CB 3.93Å; L521-W571 HydrophobicContact CD2-CD2 3.98Å; L521-W571 HydrophobicContact CD2-CG 3.67Å
522	G	98.1	Very high	96.6	Very high	6 Å²	6	56.9 Å²	56.9	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-51	177.7	0	0	0	0	0	112.3	P520 K524 V525 Q526 L563	P520-G522 VanDerWaalsContact C-N 3.3Å; P520-G522 PolarHBondContact O-N 2.94Å; G522-K524 VanDerWaalsContact C-N 3.34Å; G522-K524 PolarHBondContact O-N 2.99Å; G522-V525 PolarHBondContact O-N 3.49Å; G522-Q526 WeakPolarHBondContact O-CG 3.49Å; G522-Q526 PolarHBondContact O-N 3.44Å; G522-L563 PolarHBondContact N-O 3.28Å
523	E	98.1	Very high	96.8	Very high	115 Å²	115	52.7 Å²	52.7	54%	0.537	27%	0.271	S	S	.	.	H	α-helix	trans	-57.2	-45.6	176.1	-68.9	-176.5	-174.6	0	0	112.1	P520 Q526 E527	P520-E523 HydrophobicContact CB-CB 4.25Å; P520-E523 HydrophobicContact CB-CG 4.03Å; P520-E523 WeakPolarHBondContact CD-OE2 3.48Å; P520-E523 HydrophobicContact CG-CG 4.17Å; P520-E523 PolarHBondContact O-N 3.24Å; E523-Q526 PolarHBondContact O-N 2.98Å; E523-E527 WeakPolarHBondContact O-CB 3.48Å; E523-E527 PolarHBondContact O-N 3.3Å
524	K	98.2	Very high	96.9	Very high	15 Å²	15	56.9 Å²	56.9	7%	0.065	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-40.5	-177.7	-168.5	55.1	55.9	-170.3	0	112.4	V506 W509 P520 L521 G522 E527 I528 A568	V506-K524 HydrophobicContact CG1-CG 4.47Å; V506-K524 HydrophobicContact CG2-CG 4.07Å; W509-K524 HydrophobicContact CD2-CD 4.04Å; W509-K524 HydrophobicContact CD2-CG 4.36Å; W509-K524 HydrophobicContact CE3-CD 4.38Å; W509-K524 HydrophobicContact CE3-CG 4.22Å; W509-K524 HydrophobicContact CG-CD 4.32Å; P520-K524 PolarHBondContact O-N 3.49Å; P520-K524 VanDerWaalsContact O-N 3.13Å; L521-K524 PolarHBondContact O-N 3.49Å; G522-K524 VanDerWaalsContact C-N 3.34Å; G522-K524 PolarHBondContact O-N 2.99Å; K524-E527 VanDerWaalsContact NZ-CD 3.31Å; K524-E527 IonicContact NZ-OE1 3.23Å; K524-E527 PolarHBondContact NZ-OE1 3.44Å; K524-E527 IonicContact NZ-OE2 3.9Å; K524-E527 PolarHBondContact NZ-OE2 3.38Å; K524-E527 PolarHBondContact O-N 2.99Å; K524-I528 HydrophobicContact CD-CD1 4.16Å; K524-I528 HydrophobicContact CD-CG1 4.42Å; K524-I528 HydrophobicContact CG-CD1 3.94Å; K524-I528 WeakPolarHBondContact O-CG1 3.31Å; K524-I528 PolarHBondContact O-N 2.87Å; K524-A568 HydrophobicContact CB-CB 4.27Å
525	V	98.1	Very high	96.9	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-45.6	174.5	164.6	0	0	0	0	110.8	I502 L503 V506 L521 G522 I528 K529 L552	I502-V525 HydrophobicContact CG2-CB 4.24Å; I502-V525 HydrophobicContact CG2-CG1 4.01Å; I502-V525 HydrophobicContact CG2-CG2 4.13Å; L503-V525 HydrophobicContact CD2-CG2 4.34Å; V506-V525 HydrophobicContact CG2-CG2 4.25Å; L521-V525 HydrophobicContact CD1-CG2 4.06Å; L521-V525 HydrophobicContact CG-CG2 4.39Å; L521-V525 WeakPolarHBondContact O-CB 3.37Å; L521-V525 VanDerWaalsContact O-CG2 3.28Å; L521-V525 WeakPolarHBondContact O-CG2 3.12Å; L521-V525 PolarHBondContact O-N 3.4Å; G522-V525 PolarHBondContact O-N 3.49Å; V525-I528 PolarHBondContact O-N 3Å; V525-K529 VanDerWaalsContact O-CB 3.27Å; V525-K529 WeakPolarHBondContact O-CB 3.41Å; V525-K529 PolarHBondContact O-N 2.95Å; V525-L552 HydrophobicContact CG1-CD2 3.82Å
526	Q	97.4	Very high	97.2	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-40.3	178.6	-67.6	-58.7	-26.5	0	0	112.5	G522 E523 K530	G522-Q526 WeakPolarHBondContact O-CG 3.49Å; G522-Q526 PolarHBondContact O-N 3.44Å; E523-Q526 PolarHBondContact O-N 2.98Å; Q526-K530 VanDerWaalsContact O-CB 3.29Å; Q526-K530 WeakPolarHBondContact O-CB 3.48Å; Q526-K530 PolarHBondContact O-N 2.97Å
527	E	97.9	Very high	97.2	Very high	89 Å²	89	58 Å²	58	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-59.2	-51.4	175.1	-177	-170.9	141.6	0	0	111.5	E523 K524 K530 N531	E523-E527 WeakPolarHBondContact O-CB 3.48Å; E523-E527 PolarHBondContact O-N 3.3Å; K524-E527 VanDerWaalsContact NZ-CD 3.31Å; K524-E527 IonicContact NZ-OE1 3.23Å; K524-E527 PolarHBondContact NZ-OE1 3.44Å; K524-E527 IonicContact NZ-OE2 3.9Å; K524-E527 PolarHBondContact NZ-OE2 3.38Å; K524-E527 PolarHBondContact O-N 2.99Å; E527-K530 PolarHBondContact O-N 2.89Å; E527-N531 VanDerWaalsContact O-CG 3.22Å; E527-N531 PolarHBondContact O-N 2.87Å; E527-N531 PolarHBondContact O-ND2 3.36Å; E527-N531 PolarHBondContact O-OD1 3.19Å
528	I	97.5	Very high	97.1	Very high	22 Å²	22	56.8 Å²	56.8	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-46.9	-179.2	-70.4	164.1	0	0	0	110.7	I502 V505 V506 K524 V525 K530 N531 F532	I502-I528 HydrophobicContact CB-CG2 4.43Å; I502-I528 HydrophobicContact CG1-CG2 4.27Å; I502-I528 HydrophobicContact CG2-CB 4.19Å; I502-I528 HydrophobicContact CG2-CG2 3.98Å; V505-I528 HydrophobicContact CB-CD1 4.14Å; V505-I528 HydrophobicContact CB-CG2 4.06Å; V505-I528 HydrophobicContact CG1-CD1 3.8Å; V505-I528 HydrophobicContact CG1-CG1 4.04Å; V505-I528 HydrophobicContact CG1-CG2 3.95Å; V506-I528 HydrophobicContact CB-CD1 4.31Å; V506-I528 HydrophobicContact CG2-CD1 3.46Å; V506-I528 VanDerWaalsContact CG2-CD1 3.46Å; K524-I528 HydrophobicContact CD-CD1 4.16Å; K524-I528 HydrophobicContact CD-CG1 4.42Å; K524-I528 HydrophobicContact CG-CD1 3.94Å; K524-I528 WeakPolarHBondContact O-CG1 3.31Å; K524-I528 PolarHBondContact O-N 2.87Å; V525-I528 PolarHBondContact O-N 3Å; I528-K530 VanDerWaalsContact C-N 3.33Å; I528-K530 PolarHBondContact O-N 3.3Å; I528-N531 PolarHBondContact O-N 3.4Å; I528-F532 VanDerWaalsContact O-CB 3.31Å; I528-F532 WeakPolarHBondContact O-CB 3.41Å; I528-F532 PolarHBondContact O-N 3.05Å
529	K	97.1	Very high	97	Very high	19 Å²	19	63.2 Å²	63.2	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-56.4	-47.5	176.7	180	-163.9	170.7	-163.6	0	111.4	I502 V525 F532 L533 E545 L548	I502-K529 HydrophobicContact CD1-CB 4.05Å; I502-K529 HydrophobicContact CD1-CG 4.38Å; V525-K529 VanDerWaalsContact O-CB 3.27Å; V525-K529 WeakPolarHBondContact O-CB 3.41Å; V525-K529 PolarHBondContact O-N 2.95Å; K529-F532 PolarHBondContact O-N 2.71Å; K529-L533 HydrophobicContact CG-CD1 4.21Å; K529-L533 WeakPolarHBondContact O-CG 3.47Å; K529-L533 PolarHBondContact O-N 2.88Å; K529-E545 VanDerWaalsContact CE-OE2 3.26Å; K529-E545 WeakPolarHBondContact CE-OE2 3.37Å; K529-E545 IonicContact NZ-OE1 3.43Å; K529-E545 PolarHBondContact NZ-OE1 3.47Å; K529-E545 IonicContact NZ-OE2 3.06Å; K529-E545 PolarHBondContact NZ-OE2 2.82Å; K529-L548 HydrophobicContact CD-CD2 3.84Å
530	K	97.3	Very high	96.9	Very high	127 Å²	127	63.3 Å²	63.3	55%	0.552	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-47	179.6	-179.6	-178.8	175.3	-176.3	0	111.4	Q526 E527 I528 L533 Q534	Q526-K530 VanDerWaalsContact O-CB 3.29Å; Q526-K530 WeakPolarHBondContact O-CB 3.48Å; Q526-K530 PolarHBondContact O-N 2.97Å; E527-K530 PolarHBondContact O-N 2.89Å; I528-K530 VanDerWaalsContact C-N 3.33Å; I528-K530 PolarHBondContact O-N 3.3Å; K530-L533 PolarHBondContact O-N 3.21Å; K530-Q534 VanDerWaalsContact O-CG 3.29Å; K530-Q534 WeakPolarHBondContact O-CG 3.16Å; K530-Q534 PolarHBondContact O-N 3.45Å
531	N	96.9	Very high	96.9	Very high	65 Å²	65	65 Å²	65	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-44.1	178.9	-65.6	-13.4	0	0	0	110.9	E527 I528 L533 Q534 E535	E527-N531 VanDerWaalsContact O-CG 3.22Å; E527-N531 PolarHBondContact O-N 2.87Å; E527-N531 PolarHBondContact O-ND2 3.36Å; E527-N531 PolarHBondContact O-OD1 3.19Å; I528-N531 PolarHBondContact O-N 3.4Å; N531-L533 PolarHBondContact O-N 3.06Å; N531-Q534 PolarHBondContact O-N 3.43Å; N531-E535 WeakPolarHBondContact O-CB 3.5Å; N531-E535 WeakPolarHBondContact O-CG 3.49Å; N531-E535 PolarHBondContact O-N 3.07Å
532	F	96.5	Very high	96.8	Very high	70 Å²	70	70.3 Å²	70.3	31%	0.307	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-46.4	177	172.2	-107.5	0	0	0	113.2	H498 I528 K529 Q534 E535 S536 M538 F540	H498-F532 AromaticContact CE1-CE1 3.83Å; H498-F532 AromaticContact CE1-CZ 3.66Å; H498-F532 AromaticContact ND1-CE1 3.79Å; H498-F532 AromaticContact ND1-CZ 3.82Å; I528-F532 VanDerWaalsContact O-CB 3.31Å; I528-F532 WeakPolarHBondContact O-CB 3.41Å; I528-F532 PolarHBondContact O-N 3.05Å; K529-F532 PolarHBondContact O-N 2.71Å; F532-Q534 VanDerWaalsContact C-N 3.32Å; F532-Q534 PolarHBondContact O-N 2.97Å; F532-E535 PolarHBondContact O-N 3.45Å; F532-S536 VanDerWaalsContact O-CB 3.29Å; F532-S536 WeakPolarHBondContact O-CB 3.39Å; F532-S536 PolarHBondContact O-N 3.48Å; F532-S536 PolarHBondContact O-OG 3.13Å; F532-M538 HydrophobicContact CD1-CE 4.43Å; F532-M538 HydrophobicContact CE1-CE 3.32Å; F532-M538 HydrophobicContact CE2-CE 4.07Å; F532-M538 HydrophobicContact CZ-CE 3.1Å; F532-F540 HydrophobicContact CE1-CZ 4.22Å
533	L	96.1	Very high	96.7	Very high	28 Å²	28	71.8 Å²	71.8	15%	0.147	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-36.5	177.9	-68.6	174.8	0	0	0	111.7	K529 K530 N531 G537 M538 F540	K529-L533 HydrophobicContact CG-CD1 4.21Å; K529-L533 WeakPolarHBondContact O-CG 3.47Å; K529-L533 PolarHBondContact O-N 2.88Å; K530-L533 PolarHBondContact O-N 3.21Å; N531-L533 PolarHBondContact O-N 3.06Å; L533-G537 PolarHBondContact O-N 3.26Å; L533-G537 VanDerWaalsContact O-N 3.13Å; L533-M538 HydrophobicContact CD2-CB 4.49Å; L533-F540 HydrophobicContact CD1-CD2 4.35Å; L533-F540 HydrophobicContact CD1-CE2 4.49Å; L533-F540 HydrophobicContact CD2-CD1 4.39Å; L533-F540 HydrophobicContact CD2-CD2 4.11Å; L533-F540 HydrophobicContact CD2-CE1 4.26Å; L533-F540 HydrophobicContact CD2-CE2 3.98Å; L533-F540 HydrophobicContact CD2-CG 4.31Å; L533-F540 HydrophobicContact CD2-CZ 4.06Å
534	Q	96.4	Very high	96.7	Very high	131 Å²	131	67.1 Å²	67.1	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-67.5	-44.5	175.9	-73.7	-179.8	-9.3	0	0	112.4	K530 N531 F532	K530-Q534 VanDerWaalsContact O-CG 3.29Å; K530-Q534 WeakPolarHBondContact O-CG 3.16Å; K530-Q534 PolarHBondContact O-N 3.45Å; N531-Q534 PolarHBondContact O-N 3.43Å; F532-Q534 VanDerWaalsContact C-N 3.32Å; F532-Q534 PolarHBondContact O-N 2.97Å
535	E	96.4	Very high	96.7	Very high	169 Å²	169	68.7 Å²	68.7	79%	0.79	35%	0.354	S	S	*	.	H	α-helix	trans	-72.2	-39.6	-177.7	-73.1	178.3	-176.2	0	0	112.8	N531 F532	N531-E535 WeakPolarHBondContact O-CB 3.5Å; N531-E535 WeakPolarHBondContact O-CG 3.49Å; N531-E535 PolarHBondContact O-N 3.07Å; F532-E535 PolarHBondContact O-N 3.45Å
536	S	95.5	Very high	96.7	Very high	53 Å²	53	71.2 Å²	71.2	37%	0.371	37%	0.365	S	S	.	.	H	α-helix	trans	-81.2	-20.9	-178.5	63.9	0	0	0	0	113.6	F532 M538	F532-S536 VanDerWaalsContact O-CB 3.29Å; F532-S536 WeakPolarHBondContact O-CB 3.39Å; F532-S536 PolarHBondContact O-N 3.48Å; F532-S536 PolarHBondContact O-OG 3.13Å; S536-M538 PolarHBondContact O-N 3.15Å; S536-M538 WeakPolarHBondContact OG-CB 3.49Å; S536-M538 PolarHBondContact OG-N 2.74Å
537	G	94.7	Very high	96.8	Very high	59 Å²	59	67.5 Å²	67.5	61%	0.608	35%	0.347	S	S	*	.			trans	67.4	7.6	-170	0	0	0	0	0	113.9	L533	L533-G537 PolarHBondContact O-N 3.26Å; L533-G537 VanDerWaalsContact O-N 3.13Å
538	M	94.1	Very high	96.8	Very high	76 Å²	76	63.3 Å²	63.3	37%	0.374	33%	0.328	S	S	.	.			trans	-73.9	157	176.8	-65	-167.2	-54.9	0	0	111.3	F532 L533 S536	F532-M538 HydrophobicContact CD1-CE 4.43Å; F532-M538 HydrophobicContact CE1-CE 3.32Å; F532-M538 HydrophobicContact CE2-CE 4.07Å; F532-M538 HydrophobicContact CZ-CE 3.1Å; L533-M538 HydrophobicContact CD2-CB 4.49Å; S536-M538 PolarHBondContact O-N 3.15Å; S536-M538 WeakPolarHBondContact OG-CB 3.49Å; S536-M538 PolarHBondContact OG-N 2.74Å
539	Q	95.1	Very high	96.8	Very high	155 Å²	155	62.7 Å²	62.7	72%	0.724	32%	0.324	S	S	*	.			trans	-132.8	128.7	173.7	-63.7	-62.3	-38.9	0	0	108.2
540	F	96.4	Very high	96.9	Very high	30 Å²	30	62.4 Å²	62.4	13%	0.132	32%	0.323	C	S	.	.			trans	-77.6	138	168.7	-63.1	-31.7	0	0	0	109.4	M495 H498 F532 L533 E544	M495-F540 HydrophobicContact CE-CD1 4.42Å; M495-F540 HydrophobicContact CE-CD2 4.13Å; M495-F540 HydrophobicContact CE-CE1 4.3Å; M495-F540 HydrophobicContact CE-CE2 3.99Å; M495-F540 HydrophobicContact CE-CG 4.35Å; M495-F540 HydrophobicContact CE-CZ 4.09Å; M495-F540 HydrophobicContact SD-CD1 4.43Å; M495-F540 HydrophobicContact SD-CE1 4.43Å; H498-F540 HydrophobicContact CB-CZ 4.28Å; H498-F540 AromaticContact CD2-CE1 3.76Å; H498-F540 AromaticContact CD2-CZ 3.91Å; H498-F540 AromaticContact CG-CZ 3.93Å; H498-F540 AromaticContact NE2-CE1 3.94Å; F532-F540 HydrophobicContact CE1-CZ 4.22Å; L533-F540 HydrophobicContact CD1-CD2 4.35Å; L533-F540 HydrophobicContact CD1-CE2 4.49Å; L533-F540 HydrophobicContact CD2-CD1 4.39Å; L533-F540 HydrophobicContact CD2-CD2 4.11Å; L533-F540 HydrophobicContact CD2-CE1 4.26Å; L533-F540 HydrophobicContact CD2-CE2 3.98Å; L533-F540 HydrophobicContact CD2-CG 4.31Å; L533-F540 HydrophobicContact CD2-CZ 4.06Å; F540-E544 HydrophobicContact CB-CB 3.95Å; F540-E544 HydrophobicContact CG-CB 4.44Å
541	S	97.4	Very high	97	Very high	55 Å²	55	57.1 Å²	57.1	39%	0.385	30%	0.301	S	S	.	.			trans	-64.5	162.4	166.1	62.3	0	0	0	0	111	L543 E544 E545	S541-L543 PolarHBondContact O-N 3.26Å; S541-E544 WeakPolarHBondContact CB-OE2 3.2Å; S541-E544 PolarHBondContact N-OE2 3.03Å; S541-E544 PolarHBondContact O-N 2.97Å; S541-E544 VanDerWaalsContact O-N 3.17Å; S541-E544 WeakPolarHBondContact OG-CB 3.45Å; S541-E544 VanDerWaalsContact OG-CG 3.3Å; S541-E544 WeakPolarHBondContact OG-CG 3.38Å; S541-E544 PolarHBondContact OG-N 3.13Å; S541-E544 PolarHBondContact OG-OE2 3.12Å; S541-E545 PolarHBondContact O-N 2.8Å
542	D	96.9	Very high	97	Very high	111 Å²	111	54.1 Å²	54.1	59%	0.594	28%	0.284	S	S	*	.	H	α-helix	trans	-56	-39.2	175.9	179.1	68.3	0	0	0	112.3	E545 K546	D542-E545 PolarHBondContact O-N 3.18Å; D542-K546 VanDerWaalsContact O-CG 3.31Å; D542-K546 WeakPolarHBondContact O-CG 3.41Å; D542-K546 PolarHBondContact O-N 3.4Å; D542-K546 IonicContact OD1-NZ 2.61Å; D542-K546 VanDerWaalsContact OD2-CE 3.25Å; D542-K546 WeakPolarHBondContact OD2-CE 3.3Å; D542-K546 IonicContact OD2-NZ 3.29Å; D542-K546 PolarHBondContact OD2-NZ 3.11Å
543	L	97.4	Very high	97.1	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.199	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-44.7	176.7	177.8	58.3	0	0	0	112	Q481 I491 S541 E545 K546 V547 I696	Q481-L543 HydrophobicContact CG-CD1 3.74Å; I491-L543 HydrophobicContact CD1-CD2 3.86Å; S541-L543 PolarHBondContact O-N 3.26Å; L543-E545 VanDerWaalsContact C-N 3.28Å; L543-E545 PolarHBondContact O-N 3.07Å; L543-K546 PolarHBondContact O-N 2.71Å; L543-V547 HydrophobicContact CD1-CG2 4.22Å; L543-V547 HydrophobicContact CG-CG2 4.49Å; L543-V547 WeakPolarHBondContact O-CG2 3.44Å; L543-V547 PolarHBondContact O-N 3.35Å; L543-I696 HydrophobicContact CD1-CD1 4.28Å
544	E	98	Very high	97.2	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-41.6	176.4	-78.8	166.1	141.5	0	0	111.4	I491 R494 M495 F540 S541 K546 V547 L548	I491-E544 HydrophobicContact CG2-CG 3.9Å; R494-E544 VanDerWaalsContact CD-OE1 3.27Å; R494-E544 WeakPolarHBondContact CD-OE1 3.5Å; R494-E544 IonicContact CZ-OE1 3.45Å; R494-E544 IonicContact NE-OE1 3.6Å; R494-E544 IonicContact NH1-OE1 2.73Å; R494-E544 PolarHBondContact NH1-OE1 3.04Å; M495-E544 HydrophobicContact CE-CB 4.25Å; M495-E544 WeakPolarHBondContact CE-O 3.33Å; M495-E544 HydrophobicContact CG-CB 4.02Å; M495-E544 HydrophobicContact CG-CG 4.01Å; M495-E544 HydrophobicContact SD-CB 3.57Å; M495-E544 VanDerWaalsContact SD-CB 3.57Å; M495-E544 HydrophobicContact SD-CG 3.71Å; F540-E544 HydrophobicContact CB-CB 3.95Å; F540-E544 HydrophobicContact CG-CB 4.44Å; S541-E544 WeakPolarHBondContact CB-OE2 3.2Å; S541-E544 PolarHBondContact N-OE2 3.03Å; S541-E544 PolarHBondContact O-N 2.97Å; S541-E544 VanDerWaalsContact O-N 3.17Å; S541-E544 WeakPolarHBondContact OG-CB 3.45Å; S541-E544 VanDerWaalsContact OG-CG 3.3Å; S541-E544 WeakPolarHBondContact OG-CG 3.38Å; S541-E544 PolarHBondContact OG-N 3.13Å; S541-E544 PolarHBondContact OG-OE2 3.12Å; E544-K546 PolarHBondContact O-N 3.2Å; E544-V547 PolarHBondContact O-N 2.88Å; E544-L548 PolarHBondContact O-N 2.9Å
545	E	97.5	Very high	97.3	Very high	48 Å²	48	47 Å²	47	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-43.8	174.8	-173.8	59.2	-141.7	0	0	112	K529 S541 D542 L543 L548 Q549	K529-E545 VanDerWaalsContact CE-OE2 3.26Å; K529-E545 WeakPolarHBondContact CE-OE2 3.37Å; K529-E545 IonicContact NZ-OE1 3.43Å; K529-E545 PolarHBondContact NZ-OE1 3.47Å; K529-E545 IonicContact NZ-OE2 3.06Å; K529-E545 PolarHBondContact NZ-OE2 2.82Å; S541-E545 PolarHBondContact O-N 2.8Å; D542-E545 PolarHBondContact O-N 3.18Å; L543-E545 VanDerWaalsContact C-N 3.28Å; L543-E545 PolarHBondContact O-N 3.07Å; E545-L548 WeakPolarHBondContact O-CB 3.5Å; E545-L548 PolarHBondContact O-N 3.38Å; E545-Q549 WeakPolarHBondContact O-CG 3.46Å; E545-Q549 PolarHBondContact O-N 3.16Å; E545-Q549 PolarHBondContact OE1-NE2 3.47Å; E545-Q549 VanDerWaalsContact OE1-NE2 3.11Å
546	K	98.1	Very high	97.4	Very high	56 Å²	56	39 Å²	39	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-37.8	177.9	-70.7	169.4	174.6	167.4	0	112.7	D542 L543 E544 L548 Q549 F550 I696 P697 P698	D542-K546 VanDerWaalsContact O-CG 3.31Å; D542-K546 WeakPolarHBondContact O-CG 3.41Å; D542-K546 PolarHBondContact O-N 3.4Å; D542-K546 IonicContact OD1-NZ 2.61Å; D542-K546 VanDerWaalsContact OD2-CE 3.25Å; D542-K546 WeakPolarHBondContact OD2-CE 3.3Å; D542-K546 IonicContact OD2-NZ 3.29Å; D542-K546 PolarHBondContact OD2-NZ 3.11Å; L543-K546 PolarHBondContact O-N 2.71Å; E544-K546 PolarHBondContact O-N 3.2Å; K546-L548 VanDerWaalsContact C-N 3.31Å; K546-Q549 WeakPolarHBondContact O-CB 3.4Å; K546-Q549 PolarHBondContact O-N 3.37Å; K546-Q549 VanDerWaalsContact O-N 3.15Å; K546-F550 PolarHBondContact O-N 3.1Å; K546-I696 HydrophobicContact CB-CG2 3.5Å; K546-I696 VanDerWaalsContact CB-CG2 3.5Å; K546-P697 WeakPolarHBondContact CG-O 3.45Å; K546-P698 VanDerWaalsContact CE-O 3.23Å; K546-P698 WeakPolarHBondContact CE-O 3.29Å
547	V	98.5	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-39.7	172.8	176.5	0	0	0	0	110.4	L479 T487 I491 M495 L543 E544 Q549 F550 H551 I696	L479-V547 HydrophobicContact CD1-CG1 4.01Å; T487-V547 HydrophobicContact CG2-CG2 4.09Å; I491-V547 HydrophobicContact CG2-CG2 4.34Å; M495-V547 HydrophobicContact CB-CB 4.09Å; M495-V547 HydrophobicContact CB-CG1 3.53Å; M495-V547 HydrophobicContact CG-CB 4.07Å; M495-V547 HydrophobicContact CG-CG1 4.02Å; L543-V547 HydrophobicContact CD1-CG2 4.22Å; L543-V547 HydrophobicContact CG-CG2 4.49Å; L543-V547 WeakPolarHBondContact O-CG2 3.44Å; L543-V547 PolarHBondContact O-N 3.35Å; E544-V547 PolarHBondContact O-N 2.88Å; V547-Q549 VanDerWaalsContact C-N 3.31Å; V547-Q549 PolarHBondContact O-N 3Å; V547-F550 WeakPolarHBondContact O-CB 3.29Å; V547-F550 PolarHBondContact O-N 2.83Å; V547-F550 VanDerWaalsContact O-N 3.15Å; V547-H551 PolarHBondContact O-CD2 2.9Å; V547-H551 PolarHBondContact O-N 3.03Å; V547-I696 HydrophobicContact CG2-CD1 3.67Å; V547-I696 HydrophobicContact CG2-CG1 4.35Å
548	L	98.4	Very high	97.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-41.1	172.1	-178.7	62.6	0	0	0	111.8	M495 F499 K529 E544 E545 K546 F550 H551 L552	M495-L548 HydrophobicContact CE-CB 3.93Å; F499-L548 HydrophobicContact CB-CD1 3.98Å; F499-L548 HydrophobicContact CD2-CD1 4.16Å; K529-L548 HydrophobicContact CD-CD2 3.84Å; E544-L548 PolarHBondContact O-N 2.9Å; E545-L548 WeakPolarHBondContact O-CB 3.5Å; E545-L548 PolarHBondContact O-N 3.38Å; K546-L548 VanDerWaalsContact C-N 3.31Å; L548-F550 VanDerWaalsContact C-N 3.28Å; L548-F550 PolarHBondContact O-N 3.28Å; L548-H551 PolarHBondContact O-N 2.83Å; L548-L552 HydrophobicContact CG-CD1 4.41Å; L548-L552 WeakPolarHBondContact O-CG 3.16Å; L548-L552 PolarHBondContact O-N 3.35Å
549	Q	98.4	Very high	97.9	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-32	175.5	-63.7	-54.3	-39.1	0	0	113.1	E545 K546 V547 L552 S553 P697 P700 R703	E545-Q549 WeakPolarHBondContact O-CG 3.46Å; E545-Q549 PolarHBondContact O-N 3.16Å; E545-Q549 PolarHBondContact OE1-NE2 3.47Å; E545-Q549 VanDerWaalsContact OE1-NE2 3.11Å; K546-Q549 WeakPolarHBondContact O-CB 3.4Å; K546-Q549 PolarHBondContact O-N 3.37Å; K546-Q549 VanDerWaalsContact O-N 3.15Å; V547-Q549 VanDerWaalsContact C-N 3.31Å; V547-Q549 PolarHBondContact O-N 3Å; Q549-L552 PolarHBondContact O-N 3.25Å; Q549-S553 PolarHBondContact O-N 3.11Å; Q549-P697 HydrophobicContact CB-CG 3.75Å; Q549-P700 HydrophobicContact CG-CB 4.37Å; Q549-P700 HydrophobicContact CG-CG 4.17Å; Q549-R703 HydrophobicContact CB-CB 4.27Å
550	F	98.6	Very high	98.1	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.057	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-46.3	171	167.4	-92.5	0	0	0	111.7	L479 K546 V547 L548 L552 S553 N554 H695 S707 V708	L479-F550 HydrophobicContact CD1-CD1 3.9Å; L479-F550 HydrophobicContact CD1-CE1 4.1Å; L479-F550 HydrophobicContact CD2-CD1 3.88Å; L479-F550 HydrophobicContact CD2-CD2 4.36Å; L479-F550 HydrophobicContact CD2-CE1 3.39Å; L479-F550 HydrophobicContact CD2-CE2 3.91Å; L479-F550 HydrophobicContact CD2-CG 4.34Å; L479-F550 HydrophobicContact CD2-CZ 3.41Å; L479-F550 VanDerWaalsContact CD2-CZ 3.41Å; L479-F550 HydrophobicContact CG-CE1 4.4Å; K546-F550 PolarHBondContact O-N 3.1Å; V547-F550 WeakPolarHBondContact O-CB 3.29Å; V547-F550 PolarHBondContact O-N 2.83Å; V547-F550 VanDerWaalsContact O-N 3.15Å; L548-F550 VanDerWaalsContact C-N 3.28Å; L548-F550 PolarHBondContact O-N 3.28Å; F550-L552 VanDerWaalsContact C-N 3.32Å; F550-L552 PolarHBondContact O-N 3.04Å; F550-S553 PolarHBondContact O-N 3.38Å; F550-S553 PolarHBondContact O-OG 3.18Å; F550-N554 PolarHBondContact O-N 3.05Å; F550-H695 WeakPolarHBondContact CD2-O 3.32Å; F550-S707 WeakPolarHBondContact CE2-O 3.3Å; F550-V708 HydrophobicContact CE2-CG2 4.01Å; F550-V708 HydrophobicContact CZ-CG2 4.22Å
551	H	98.6	Very high	98.2	Very high	17 Å²	17	26.3 Å²	26.3	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-39.1	176.9	-66	-69.6	0	0	0	112.2	D496 F499 V547 L548 N554 L555	D496-H551 IonicContact OD1-CE1 2.68Å; F499-H551 HydrophobicContact CB-CB 4.16Å; F499-H551 HydrophobicContact CD1-CB 3.9Å; F499-H551 HydrophobicContact CD2-CB 3.64Å; F499-H551 HydrophobicContact CE1-CB 4.18Å; F499-H551 HydrophobicContact CE2-CB 3.93Å; F499-H551 HydrophobicContact CG-CB 3.61Å; F499-H551 HydrophobicContact CZ-CB 4.18Å; V547-H551 PolarHBondContact O-CD2 2.9Å; V547-H551 PolarHBondContact O-N 3.03Å; L548-H551 PolarHBondContact O-N 2.83Å; H551-N554 PolarHBondContact O-N 3.49Å; H551-L555 PolarHBondContact O-N 2.99Å
552	L	98.6	Very high	98.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-40.2	175	-64.4	174	0	0	0	112	F499 V525 L548 Q549 F550 N554 L555 E556 L563	F499-L552 HydrophobicContact CD2-CD2 4.35Å; F499-L552 HydrophobicContact CE2-CD2 4.03Å; V525-L552 HydrophobicContact CG1-CD2 3.82Å; L548-L552 HydrophobicContact CG-CD1 4.41Å; L548-L552 WeakPolarHBondContact O-CG 3.16Å; L548-L552 PolarHBondContact O-N 3.35Å; Q549-L552 PolarHBondContact O-N 3.25Å; F550-L552 VanDerWaalsContact C-N 3.32Å; F550-L552 PolarHBondContact O-N 3.04Å; L552-N554 VanDerWaalsContact C-N 3.34Å; L552-L555 WeakPolarHBondContact O-CB 3.38Å; L552-L555 PolarHBondContact O-N 3.42Å; L552-E556 WeakPolarHBondContact O-CG 3.28Å; L552-E556 PolarHBondContact O-N 2.99Å; L552-L563 HydrophobicContact CB-CD1 4.3Å; L552-L563 HydrophobicContact CD2-CD1 3.84Å
553	S	98.3	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70	-31.4	176.9	78.8	0	0	0	0	113.2	Q549 F550 L555 E556 F557 R703 S707	Q549-S553 PolarHBondContact O-N 3.11Å; F550-S553 PolarHBondContact O-N 3.38Å; F550-S553 PolarHBondContact O-OG 3.18Å; S553-L555 VanDerWaalsContact C-N 3.31Å; S553-E556 WeakPolarHBondContact O-CB 3.47Å; S553-E556 PolarHBondContact O-N 3.42Å; S553-F557 PolarHBondContact O-N 3.25Å; S553-R703 VanDerWaalsContact CB-C 3.42Å; S553-R703 WeakPolarHBondContact CB-O 3.47Å; S553-R703 PolarHBondContact OG-O 3.41Å; S553-S707 WeakPolarHBondContact OG-CB 3.19Å
554	N	98.4	Very high	98.3	Very high	68 Å²	68	21.9 Å²	21.9	36%	0.364	12%	0.117	S	C	.	.	H	α-helix	trans	-66.1	-35.7	172	-164.9	42.7	0	0	0	111.6	F550 H551 L552 F557 A558	F550-N554 PolarHBondContact O-N 3.05Å; H551-N554 PolarHBondContact O-N 3.49Å; L552-N554 VanDerWaalsContact C-N 3.34Å; N554-F557 WeakPolarHBondContact O-CB 3.36Å; N554-F557 PolarHBondContact O-N 2.81Å; N554-A558 PolarHBondContact O-N 2.91Å
555	L	98.6	Very high	98.3	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.063	14%	0.137	C	C	.	.	H	α-helix	trans	-69.2	-37.5	172.4	-172.2	59.1	0	0	0	112.3	F499 L503 L521 H551 L552 S553 F557 A558 C559 L563 W571	F499-L555 HydrophobicContact CE2-CD2 4.37Å; F499-L555 HydrophobicContact CZ-CB 4.41Å; F499-L555 HydrophobicContact CZ-CD2 4.22Å; L503-L555 HydrophobicContact CD2-CD2 4.41Å; L521-L555 HydrophobicContact CD2-CD2 3.88Å; H551-L555 PolarHBondContact O-N 2.99Å; L552-L555 WeakPolarHBondContact O-CB 3.38Å; L552-L555 PolarHBondContact O-N 3.42Å; S553-L555 VanDerWaalsContact C-N 3.31Å; L555-F557 VanDerWaalsContact C-N 3.33Å; L555-A558 PolarHBondContact O-N 3.49Å; L555-C559 PolarHBondContact O-N 2.86Å; L555-C559 PolarHBondContact O-SG 3Å; L555-L563 HydrophobicContact CB-CD2 4.24Å; L555-L563 HydrophobicContact CD2-CD1 4.13Å; L555-L563 HydrophobicContact CD2-CD2 4.02Å; L555-L563 HydrophobicContact CG-CD2 3.8Å; L555-W571 HydrophobicContact CD1-CE3 3.76Å; L555-W571 HydrophobicContact CD1-CH2 4.1Å; L555-W571 HydrophobicContact CD1-CZ3 3.42Å; L555-W571 VanDerWaalsContact CD1-CZ3 3.42Å
556	E	98.7	Very high	98.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-37.2	171.3	-70.2	-175.2	141.9	0	0	112.3	L552 S553 C559 G560 S561 T562 L563 R703	L552-E556 WeakPolarHBondContact O-CG 3.28Å; L552-E556 PolarHBondContact O-N 2.99Å; S553-E556 WeakPolarHBondContact O-CB 3.47Å; S553-E556 PolarHBondContact O-N 3.42Å; E556-C559 PolarHBondContact O-N 3.43Å; E556-G560 VanDerWaalsContact O-CA 3.27Å; E556-G560 WeakPolarHBondContact O-CA 3.49Å; E556-G560 PolarHBondContact O-N 3.43Å; E556-S561 WeakPolarHBondContact CA-O 3.28Å; E556-S561 WeakPolarHBondContact CB-O 3.45Å; E556-S561 WeakPolarHBondContact CG-O 3.42Å; E556-S561 PolarHBondContact O-N 3.35Å; E556-S561 VanDerWaalsContact O-N 3.15Å; E556-T562 VanDerWaalsContact OE1-CA 3.29Å; E556-T562 WeakPolarHBondContact OE1-CA 3.48Å; E556-L563 HydrophobicContact CG-CD1 4.42Å; E556-L563 HydrophobicContact CG-CD2 3.75Å; E556-L563 HydrophobicContact CG-CG 3.62Å; E556-L563 PolarHBondContact OE1-N 2.97Å; E556-R703 VanDerWaalsContact CD-NE 3.28Å; E556-R703 IonicContact OE1-CZ 2.69Å; E556-R703 IonicContact OE1-NE 3.49Å; E556-R703 PolarHBondContact OE1-NE 3.2Å; E556-R703 IonicContact OE1-NH2 2.94Å; E556-R703 PolarHBondContact OE1-NH2 3.49Å; E556-R703 IonicContact OE2-CZ 2.65Å; E556-R703 IonicContact OE2-NE 2.78Å; E556-R703 PolarHBondContact OE2-NE 3.31Å; E556-R703 IonicContact OE2-NH2 2.91Å
557	F	98.4	Very high	98.4	Very high	44 Å²	44	21.2 Å²	21.2	19%	0.193	12%	0.115	C	C	.	.	H	α-helix	trans	-60.6	-49.9	171.2	163.1	-110.8	0	0	0	110.5	S553 N554 L555 C559 G560 I671 I724 Y779	S553-F557 PolarHBondContact O-N 3.25Å; N554-F557 WeakPolarHBondContact O-CB 3.36Å; N554-F557 PolarHBondContact O-N 2.81Å; L555-F557 VanDerWaalsContact C-N 3.33Å; F557-C559 VanDerWaalsContact C-N 3.3Å; F557-C559 PolarHBondContact O-N 2.9Å; F557-G560 PolarHBondContact O-N 3.33Å; F557-G560 VanDerWaalsContact O-N 3.11Å; F557-I671 HydrophobicContact CD2-CD1 3.98Å; F557-I671 HydrophobicContact CD2-CG2 4.22Å; F557-I671 HydrophobicContact CE2-CD1 3.61Å; F557-I724 HydrophobicContact CB-CD1 3.94Å; F557-I724 HydrophobicContact CD1-CD1 4.03Å; F557-I724 HydrophobicContact CD2-CB 4.42Å; F557-I724 HydrophobicContact CD2-CD1 3.25Å; F557-I724 HydrophobicContact CD2-CG1 4.41Å; F557-I724 HydrophobicContact CD2-CG2 4.44Å; F557-I724 HydrophobicContact CE1-CD1 4.37Å; F557-I724 HydrophobicContact CE2-CB 4.49Å; F557-I724 HydrophobicContact CE2-CD1 3.64Å; F557-I724 HydrophobicContact CE2-CG2 4.02Å; F557-I724 HydrophobicContact CG-CD1 3.46Å; F557-I724 VanDerWaalsContact CG-CD1 3.46Å; F557-I724 HydrophobicContact CZ-CD1 4.19Å; F557-Y779 PolarHBondContact O-OH 3.45Å
558	A	98.1	Very high	98.4	Very high	46 Å²	46	21.2 Å²	21.2	38%	0.38	12%	0.115	S	C	.	.	H	α-helix	trans	-59.3	-38.8	178	0	0	0	0	0	112.8	N554 L555 Y779 Q815	N554-A558 PolarHBondContact O-N 2.91Å; L555-A558 PolarHBondContact O-N 3.49Å; A558-Y779 WeakPolarHBondContact O-CE2 3.45Å; A558-Q815 PolarHBondContact O-NE2 3.29Å
559	C	98.3	Very high	98.4	Very high	6 Å²	6	23 Å²	23	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-80.3	-22.4	176.8	-61.6	0	0	0	0	113.5	L555 E556 F557 S561 V566 F781	L555-C559 PolarHBondContact O-N 2.86Å; L555-C559 PolarHBondContact O-SG 3Å; E556-C559 PolarHBondContact O-N 3.43Å; F557-C559 VanDerWaalsContact C-N 3.3Å; F557-C559 PolarHBondContact O-N 2.9Å; C559-S561 PolarHBondContact O-N 3.31Å; C559-V566 HydrophobicContact CB-CG2 3.79Å; C559-F781 WeakPolarHBondContact O-CB 3.18Å; C559-F781 WeakPolarHBondContact O-CD1 3.36Å
560	G	98.1	Very high	98.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	28.5	-168.2	0	0	0	0	0	112.6	E556 F557 G669 I670	E556-G560 VanDerWaalsContact O-CA 3.27Å; E556-G560 WeakPolarHBondContact O-CA 3.49Å; E556-G560 PolarHBondContact O-N 3.43Å; F557-G560 PolarHBondContact O-N 3.33Å; F557-G560 VanDerWaalsContact O-N 3.11Å; G560-G669 CarbonylContact O-C 3.03Å; G560-G669 VanDerWaalsContact O-C 3.29Å; G560-G669 WeakPolarHBondContact O-CA 3.25Å; G560-I670 CarbonylContact C-O 3.59Å; G560-I670 PolarHBondContact O-N 3.41Å
561	S	98.5	Very high	98.4	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.063	14%	0.136	C	C	.	.	S	Bend	trans	-155.7	158.7	-174.1	-178.9	0	0	0	0	110.5	E556 C559 F781	E556-S561 WeakPolarHBondContact CA-O 3.28Å; E556-S561 WeakPolarHBondContact CB-O 3.45Å; E556-S561 WeakPolarHBondContact CG-O 3.42Å; E556-S561 PolarHBondContact O-N 3.35Å; E556-S561 VanDerWaalsContact O-N 3.15Å; C559-S561 PolarHBondContact O-N 3.31Å; S561-F781 VanDerWaalsContact CB-CE1 3.45Å; S561-F781 VanDerWaalsContact OG-CZ 3.32Å; S561-F781 WeakPolarHBondContact OG-CZ 3.36Å
562	T	98.3	Very high	98.3	Very high	19 Å²	19	27 Å²	27	12%	0.117	14%	0.138	C	C	.	.			trans	-61.4	142.8	163.7	62.8	0	0	0	0	110.2	E556 D564 Q565 D728	E556-T562 VanDerWaalsContact OE1-CA 3.29Å; E556-T562 WeakPolarHBondContact OE1-CA 3.48Å; T562-D564 PolarHBondContact O-N 3.16Å; T562-D564 VanDerWaalsContact O-N 3.11Å; T562-Q565 PolarHBondContact O-N 3.14Å; T562-Q565 VanDerWaalsContact O-N 3.11Å; T562-D728 VanDerWaalsContact CG2-OD1 3.31Å; T562-D728 WeakPolarHBondContact CG2-OD1 3.42Å
563	L	98.4	Very high	98.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16	-176.9	-56.7	-177.5	0	0	0	112.9	L521 G522 L552 L555 E556 Q565 V566	L521-L563 HydrophobicContact CD2-CD2 4.42Å; L521-L563 PolarHBondContact N-O 3.09Å; G522-L563 PolarHBondContact N-O 3.28Å; L552-L563 HydrophobicContact CB-CD1 4.3Å; L552-L563 HydrophobicContact CD2-CD1 3.84Å; L555-L563 HydrophobicContact CB-CD2 4.24Å; L555-L563 HydrophobicContact CD2-CD1 4.13Å; L555-L563 HydrophobicContact CD2-CD2 4.02Å; L555-L563 HydrophobicContact CG-CD2 3.8Å; E556-L563 HydrophobicContact CG-CD1 4.42Å; E556-L563 HydrophobicContact CG-CD2 3.75Å; E556-L563 HydrophobicContact CG-CG 3.62Å; E556-L563 PolarHBondContact OE1-N 2.97Å; L563-Q565 PolarHBondContact O-N 3.06Å; L563-V566 PolarHBondContact O-N 3.06Å
564	D	97.6	Very high	98.3	Very high	91 Å²	91	29.1 Å²	29.1	49%	0.487	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-7.8	177.4	-60.3	-27.1	0	0	0	113.4	P520 T562	P520-D564 WeakPolarHBondContact CB-O 3.5Å; T562-D564 PolarHBondContact O-N 3.16Å; T562-D564 VanDerWaalsContact O-N 3.11Å
565	Q	98.3	Very high	98.3	Very high	105 Å²	105	32 Å²	32	49%	0.491	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-16.2	172.2	-57.8	-172	7.2	0	0	112.9	T562 L563 F781 K783 T784	T562-Q565 PolarHBondContact O-N 3.14Å; T562-Q565 VanDerWaalsContact O-N 3.11Å; L563-Q565 PolarHBondContact O-N 3.06Å; Q565-F781 HydrophobicContact CB-CE2 4.17Å; Q565-F781 HydrophobicContact CB-CZ 4.08Å; Q565-K783 CarbonylContact O-C 3.58Å; Q565-K783 VanDerWaalsContact O-CA 3.26Å; Q565-K783 WeakPolarHBondContact O-CA 3.37Å; Q565-T784 PolarHBondContact O-N 3.04Å; Q565-T784 PolarHBondContact O-OG1 3.24Å
566	V	98.8	Very high	98.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-86.1	137.7	-172.1	-177.8	0	0	0	0	109.8	P520 L521 C559 L563 A568 W571 F781 T784	P520-V566 CarbonylContact C-O 3.51Å; P520-V566 WeakPolarHBondContact CA-O 3.29Å; L521-V566 HydrophobicContact CB-CB 4.35Å; L521-V566 HydrophobicContact CB-CG1 4.49Å; L521-V566 HydrophobicContact CD2-CG1 4.32Å; L521-V566 PolarHBondContact N-O 3.05Å; C559-V566 HydrophobicContact CB-CG2 3.79Å; L563-V566 PolarHBondContact O-N 3.06Å; V566-A568 PolarHBondContact O-N 3.31Å; V566-W571 HydrophobicContact CG1-CB 3.53Å; V566-F781 HydrophobicContact CB-CD2 4.36Å; V566-F781 HydrophobicContact CG1-CD2 4.45Å; V566-F781 HydrophobicContact CG2-CD2 3.79Å; V566-F781 HydrophobicContact CG2-CE2 3.89Å; V566-T784 PolarHBondContact O-OG1 3.1Å
567	S	98.8	Very high	98.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-64.3	122.1	176.1	176.1	0	0	0	0	112	D518 R569 F570 W571 V782 K783	D518-S567 VanDerWaalsContact CG-OG 3.25Å; D518-S567 PolarHBondContact OD1-OG 3.45Å; D518-S567 VanDerWaalsContact OD2-CB 3.25Å; D518-S567 WeakPolarHBondContact OD2-CB 3.3Å; D518-S567 PolarHBondContact OD2-OG 3.19Å; S567-R569 PolarHBondContact O-N 3.46Å; S567-R569 PolarHBondContact OG-N 3.45Å; S567-F570 PolarHBondContact O-N 2.89Å; S567-F570 PolarHBondContact OG-N 3.08Å; S567-W571 VanDerWaalsContact O-CB 3.29Å; S567-W571 WeakPolarHBondContact O-CB 3.36Å; S567-W571 PolarHBondContact O-N 3.26Å; S567-V782 PolarHBondContact N-O 3.05Å; S567-K783 WeakPolarHBondContact CB-O 3.46Å
568	A	98.6	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.2	170.6	0	0	0	0	0	111.9	V506 W509 D518 S519 L521 K524 V566	V506-A568 HydrophobicContact CG1-CB 4.39Å; W509-A568 HydrophobicContact CH2-CB 4.33Å; W509-A568 HydrophobicContact CZ3-CB 3.72Å; D518-A568 PolarHBondContact OD1-N 3.45Å; S519-A568 WeakPolarHBondContact O-CB 3.3Å; S519-A568 PolarHBondContact O-N 2.79Å; L521-A568 HydrophobicContact CB-CB 4.41Å; L521-A568 HydrophobicContact CD1-CB 4.34Å; K524-A568 HydrophobicContact CB-CB 4.27Å; V566-A568 PolarHBondContact O-N 3.31Å
569	R	97.9	Very high	98.1	Very high	40 Å²	40	41.7 Å²	41.7	15%	0.151	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-37.6	179.1	-68.8	-173.4	67.5	-123.9	-8.4	113.7	W509 R510 K513 S514 Q515 D518 S567	W509-R569 HydrophobicContact CH2-CG 4.46Å; W509-R569 HydrophobicContact CZ3-CG 4.11Å; R510-R569 HydrophobicContact CB-CB 4.44Å; R510-R569 HydrophobicContact CB-CG 3.92Å; R510-R569 WeakPolarHBondContact CD-O 3.33Å; R510-R569 PolarHBondContact NH1-O 2.85Å; K513-R569 PolarHBondContact O-NE 2.94Å; K513-R569 PolarHBondContact O-NH2 3.17Å; S514-R569 WeakPolarHBondContact O-CD 3.41Å; S514-R569 PolarHBondContact O-NH1 3.1Å; Q515-R569 VanDerWaalsContact CA-NH1 3.26Å; D518-R569 HydrophobicContact CB-CG 4.3Å; D518-R569 WeakPolarHBondContact OD1-CB 3.27Å; D518-R569 VanDerWaalsContact OD1-CG 3.25Å; D518-R569 WeakPolarHBondContact OD1-CG 3.41Å; D518-R569 PolarHBondContact OD1-N 2.91Å; D518-R569 VanDerWaalsContact OD1-N 3.13Å; S567-R569 PolarHBondContact O-N 3.46Å; S567-R569 PolarHBondContact OG-N 3.45Å
570	F	98.1	Very high	98.1	Very high	38 Å²	38	42.6 Å²	42.6	17%	0.167	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	18.5	-165.3	-66	-72.1	0	0	0	114.9	Q515 S567 D572 H573 V782 G786	Q515-F570 HydrophobicContact CG-CE2 4.11Å; S567-F570 PolarHBondContact O-N 2.89Å; S567-F570 PolarHBondContact OG-N 3.08Å; F570-D572 VanDerWaalsContact C-N 3.28Å; F570-D572 PolarHBondContact O-N 2.77Å; F570-H573 HydrophobicContact CB-CB 4.13Å; F570-H573 HydrophobicContact CD1-CB 4.07Å; F570-H573 WeakPolarHBondContact O-CB 3.31Å; F570-H573 PolarHBondContact O-CD2 2.93Å; F570-H573 VanDerWaalsContact O-CD2 3.28Å; F570-H573 PolarHBondContact O-N 2.57Å; F570-V782 HydrophobicContact CB-CB 4.24Å; F570-V782 HydrophobicContact CB-CG1 3.81Å; F570-G786 WeakPolarHBondContact CD2-O 3.44Å; F570-G786 VanDerWaalsContact CE2-O 3.29Å; F570-G786 WeakPolarHBondContact CE2-O 3.38Å
571	W	98.4	Very high	98.1	Very high	61 Å²	61	44.7 Å²	44.7	23%	0.231	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.8	179.7	70.2	-83.3	0	0	0	113.7	L503 L521 L555 V566 S567	L503-W571 HydrophobicContact CD1-CH2 4.32Å; L503-W571 HydrophobicContact CD1-CZ2 4.26Å; L503-W571 HydrophobicContact CD2-CZ2 4.43Å; L521-W571 HydrophobicContact CD2-CB 3.93Å; L521-W571 HydrophobicContact CD2-CD2 3.98Å; L521-W571 HydrophobicContact CD2-CG 3.67Å; L555-W571 HydrophobicContact CD1-CE3 3.76Å; L555-W571 HydrophobicContact CD1-CH2 4.1Å; L555-W571 HydrophobicContact CD1-CZ3 3.42Å; L555-W571 VanDerWaalsContact CD1-CZ3 3.42Å; V566-W571 HydrophobicContact CG1-CB 3.53Å; S567-W571 VanDerWaalsContact O-CB 3.29Å; S567-W571 WeakPolarHBondContact O-CB 3.36Å; S567-W571 PolarHBondContact O-N 3.26Å
572	D	98.2	Very high	97.9	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	22.3	-178.9	62	-11.8	0	0	0	112.1	R510 F570 N574 E575	R510-D572 IonicContact CZ-OD1 3.84Å; R510-D572 IonicContact CZ-OD2 3.57Å; R510-D572 IonicContact NH1-OD1 2.79Å; R510-D572 PolarHBondContact NH1-OD1 2.89Å; R510-D572 IonicContact NH1-OD2 2.67Å; R510-D572 PolarHBondContact NH1-OD2 2.93Å; R510-D572 IonicContact NH2-OD1 3.69Å; R510-D572 PolarHBondContact NH2-OD1 3.34Å; R510-D572 IonicContact NH2-OD2 2.71Å; R510-D572 PolarHBondContact NH2-OD2 3.31Å; F570-D572 VanDerWaalsContact C-N 3.28Å; F570-D572 PolarHBondContact O-N 2.77Å; D572-N574 PolarHBondContact O-N 3.17Å; D572-E575 WeakPolarHBondContact O-CB 3.46Å; D572-E575 PolarHBondContact O-N 2.91Å
573	H	98.4	Very high	97.9	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.079	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.4	-22.8	-170.5	75.1	78.9	0	0	0	114.7	F570 E575 F576 V782 G788 Y791 R811	F570-H573 HydrophobicContact CB-CB 4.13Å; F570-H573 HydrophobicContact CD1-CB 4.07Å; F570-H573 WeakPolarHBondContact O-CB 3.31Å; F570-H573 PolarHBondContact O-CD2 2.93Å; F570-H573 VanDerWaalsContact O-CD2 3.28Å; F570-H573 PolarHBondContact O-N 2.57Å; H573-E575 VanDerWaalsContact C-N 3.31Å; H573-F576 WeakPolarHBondContact O-CB 3.36Å; H573-V782 WeakPolarHBondContact CD2-CG2 3.47Å; H573-G788 WeakPolarHBondContact ND1-CA 3.37Å; H573-Y791 AromaticContact CE1-CD2 3.77Å; H573-Y791 AromaticContact CE1-CE2 3.69Å; H573-Y791 AromaticContact NE2-CD2 3.74Å; H573-Y791 AromaticContact NE2-CE2 3.2Å; H573-Y791 WeakPolarHBondContact NE2-CE2 2.85Å; H573-Y791 AromaticContact NE2-CZ 3.95Å; H573-R811 PolarHBondContact CE1-O 3.33Å
574	N	98.2	Very high	97.9	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.15	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-72.7	-26	-179.3	61.5	-62.4	0	0	0	111.6	D572 F576 F577 Q579 R811 P814	D572-N574 PolarHBondContact O-N 3.17Å; N574-F576 PolarHBondContact O-N 3.31Å; N574-F577 PolarHBondContact O-N 3.43Å; N574-Q579 PolarHBondContact ND2-OE1 3.35Å; N574-Q579 VanDerWaalsContact ND2-OE1 3.16Å; N574-Q579 PolarHBondContact O-NE2 2.91Å; N574-R811 WeakPolarHBondContact CB-O 3.31Å; N574-P814 HydrophobicContact CB-CG 4.04Å
575	E	97.4	Very high	97.9	Very high	130 Å²	130	47.5 Å²	47.5	61%	0.607	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69.3	-11.6	178.5	-62.6	-167.1	-153.6	0	0	113.5	D572 H573 F577 Q579	D572-E575 WeakPolarHBondContact O-CB 3.46Å; D572-E575 PolarHBondContact O-N 2.91Å; H573-E575 VanDerWaalsContact C-N 3.31Å; E575-F577 PolarHBondContact O-N 2.9Å; E575-Q579 HydrophobicContact CG-CG 4.38Å
576	F	97	Very high	97.9	Very high	169 Å²	169	43 Å²	43	74%	0.741	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-56.8	-30.6	163	-179.8	-94.9	0	0	0	112.1	H573 N574	H573-F576 WeakPolarHBondContact O-CB 3.36Å; N574-F576 PolarHBondContact O-N 3.31Å
577	F	98	Very high	97.9	Very high	44 Å²	44	42.9 Å²	42.9	19%	0.193	22%	0.218	C	C	.	.	S	Bend	trans	-99.8	148.3	175	-52.1	-82.1	0	0	0	110.6	N574 E575 Q579 R811 H812	N574-F577 PolarHBondContact O-N 3.43Å; E575-F577 PolarHBondContact O-N 2.9Å; F577-Q579 PolarHBondContact O-N 3.49Å; F577-Q579 VanDerWaalsContact O-N 3.16Å; F577-Q579 PolarHBondContact O-NE2 3.47Å; F577-R811 HydrophobicContact CE2-CG 3.81Å; F577-R811 HydrophobicContact CZ-CG 4.45Å; F577-H812 HydrophobicContact CB-CB 4.38Å; F577-H812 AromaticContact CD1-CD2 3.86Å; F577-H812 AromaticContact CD1-CE1 3.4Å; F577-H812 VanDerWaalsContact CD1-CE1 3.4Å; F577-H812 WeakPolarHBondContact CD1-CE1 3.37Å; F577-H812 AromaticContact CD1-ND1 3.87Å; F577-H812 AromaticContact CD1-NE2 3.41Å; F577-H812 WeakPolarHBondContact CD1-NE2 3.24Å; F577-H812 AromaticContact CD2-CD2 3.85Å; F577-H812 AromaticContact CE1-CD2 4Å; F577-H812 AromaticContact CE1-CE1 3.85Å; F577-H812 AromaticContact CE1-NE2 3.42Å; F577-H812 WeakPolarHBondContact CE1-NE2 3.42Å; F577-H812 AromaticContact CG-CD2 3.78Å; F577-H812 AromaticContact CG-CE1 3.84Å; F577-H812 AromaticContact CG-CG 3.8Å; F577-H812 AromaticContact CG-ND1 3.83Å; F577-H812 AromaticContact CG-NE2 3.83Å; F577-H812 AromaticContact CZ-NE2 3.86Å
578	A	97.4	Very high	97.8	Very high	36 Å²	36	45.1 Å²	45.1	30%	0.298	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-53	119.3	174.2	0	0	0	0	0	112.3	G294 F813	G294-A578 VanDerWaalsContact C-CB 3.49Å; A578-F813 WeakPolarHBondContact O-CE1 3.5Å
579	Q	98.4	Very high	97.7	Very high	56 Å²	56	51.1 Å²	51.1	26%	0.262	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-89.2	167.6	-179.3	-64	-56.3	-64.2	0	0	112.7	K295 A296 N574 E575 F577 H812	K295-Q579 WeakPolarHBondContact CA-O 3.29Å; A296-Q579 PolarHBondContact N-O 2.95Å; N574-Q579 PolarHBondContact ND2-OE1 3.35Å; N574-Q579 VanDerWaalsContact ND2-OE1 3.16Å; N574-Q579 PolarHBondContact O-NE2 2.91Å; E575-Q579 HydrophobicContact CG-CG 4.38Å; F577-Q579 PolarHBondContact O-N 3.49Å; F577-Q579 VanDerWaalsContact O-N 3.16Å; F577-Q579 PolarHBondContact O-NE2 3.47Å; Q579-H812 PolarHBondContact NE2-O 2.88Å; Q579-H812 PolarHBondContact OE1-O 2.75Å
580	F	98.2	Very high	97.7	Very high	26 Å²	26	49.2 Å²	49.2	11%	0.114	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.9	130.6	172.5	-73.6	-76.4	0	0	0	110.4	A296 L297 V455 N457 F813 T818 L822	A296-F580 HydrophobicContact CB-CB 4.39Å; A296-F580 HydrophobicContact CB-CD1 3.56Å; A296-F580 HydrophobicContact CB-CD2 3.98Å; A296-F580 HydrophobicContact CB-CE1 3.6Å; A296-F580 HydrophobicContact CB-CE2 4.03Å; A296-F580 HydrophobicContact CB-CG 3.73Å; A296-F580 HydrophobicContact CB-CZ 3.83Å; L297-F580 HydrophobicContact CD1-CE1 3.8Å; L297-F580 HydrophobicContact CD1-CZ 3.75Å; L297-F580 HydrophobicContact CG-CE1 3.96Å; L297-F580 HydrophobicContact CG-CZ 3.93Å; V455-F580 WeakPolarHBondContact O-CD1 3.06Å; N457-F580 HydrophobicContact CB-CD1 3.99Å; N457-F580 HydrophobicContact CB-CE1 4.19Å; F580-F813 AromaticContact CD2-CD1 3.68Å; F580-F813 HydrophobicContact CD2-CD1 3.68Å; F580-F813 AromaticContact CD2-CE1 3.81Å; F580-F813 HydrophobicContact CD2-CE1 3.81Å; F580-F813 HydrophobicContact CD2-CG 4.21Å; F580-F813 HydrophobicContact CD2-CZ 4.41Å; F580-F813 HydrophobicContact CE2-CB 4.42Å; F580-F813 AromaticContact CE2-CD1 3.52Å; F580-F813 HydrophobicContact CE2-CD1 3.52Å; F580-F813 AromaticContact CE2-CD2 3.84Å; F580-F813 HydrophobicContact CE2-CD2 3.84Å; F580-F813 AromaticContact CE2-CE1 3.63Å; F580-F813 HydrophobicContact CE2-CE1 3.63Å; F580-F813 AromaticContact CE2-CE2 3.93Å; F580-F813 HydrophobicContact CE2-CE2 3.93Å; F580-F813 AromaticContact CE2-CG 3.63Å; F580-F813 HydrophobicContact CE2-CG 3.63Å; F580-F813 AromaticContact CE2-CZ 3.83Å; F580-F813 HydrophobicContact CE2-CZ 3.83Å; F580-F813 HydrophobicContact CZ-CD2 4.44Å; F580-F813 HydrophobicContact CZ-CE1 4.4Å; F580-F813 HydrophobicContact CZ-CE2 4.22Å; F580-F813 HydrophobicContact CZ-CZ 4.2Å; F580-T818 HydrophobicContact CD2-CG2 4.11Å; F580-T818 HydrophobicContact CE2-CG2 3.4Å; F580-T818 VanDerWaalsContact CE2-CG2 3.4Å; F580-T818 HydrophobicContact CZ-CG2 3.67Å; F580-L822 HydrophobicContact CE2-CD1 4.13Å; F580-L822 HydrophobicContact CZ-CD1 3.81Å
581	S	96.4	Very high	97.8	Very high	44 Å²	44	47.6 Å²	47.6	31%	0.308	24%	0.244	S	C	.	.			trans	-106.2	178.8	-178.9	66.6	0	0	0	0	112.4	G453 C454 V455	G453-S581 CarbonylContact C-O 3.58Å; G453-S581 VanDerWaalsContact C-O 3.28Å; G453-S581 VanDerWaalsContact CA-O 3.26Å; G453-S581 WeakPolarHBondContact CA-O 3.29Å; C454-S581 PolarHBondContact N-O 3.34Å; V455-S581 WeakPolarHBondContact CB-O 3.42Å; V455-S581 PolarHBondContact N-O 3.21Å
582	G	95.6	Very high	97.8	Very high	45 Å²	45	46 Å²	46	46%	0.464	24%	0.241	S	C	.	.	S	Bend	trans	79.8	-156	179.1	0	0	0	0	0	113
583	D	97.7	Very high	97.8	Very high	40 Å²	40	47 Å²	47	21%	0.214	25%	0.249	C	C	.	.			trans	-65.9	140.2	-167.1	-56.8	-38.1	0	0	0	113.1	Y283 G453 C454 K472 T585	Y283-D583 HydrophobicContact CE1-CB 4.22Å; Y283-D583 VanDerWaalsContact CE1-OD2 3.31Å; Y283-D583 WeakPolarHBondContact CE1-OD2 3.47Å; Y283-D583 PolarHBondContact OH-OD2 3.46Å; G453-D583 CarbonylContact C-O 3.58Å; G453-D583 WeakPolarHBondContact CA-O 3.44Å; G453-D583 PolarHBondContact N-O 2.82Å; C454-D583 PolarHBondContact N-O 2.89Å; C454-D583 PolarHBondContact SG-O 2.85Å; K472-D583 HydrophobicContact CD-CB 4.25Å; K472-D583 WeakPolarHBondContact CD-OD1 3.29Å; K472-D583 WeakPolarHBondContact CE-OD1 3.29Å; K472-D583 HydrophobicContact CG-CB 4.11Å; K472-D583 IonicContact NZ-OD1 3.93Å; K472-D583 PolarHBondContact NZ-OD1 3Å; D583-T585 HydrophobicContact CB-CG2 3.95Å
584	H	98.2	Very high	97.8	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.44	25%	0.245	S	C	.	.			trans	-85.4	131.3	157.4	-65.7	-105.1	0	0	0	108.2	V451 N452 L473	V451-H584 WeakPolarHBondContact O-CA 3.22Å; N452-H584 WeakPolarHBondContact CA-ND1 3.45Å; N452-H584 PolarHBondContact OD1-ND1 2.88Å; L473-H584 HydrophobicContact CD1-CB 4.45Å; L473-H584 PolarHBondContact N-O 2.88Å
585	T	98.6	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.2	-173.5	65	0	0	0	0	112.8	I450 V451 C454 M470 H471 D583	I450-T585 CarbonylContact C-O 3.57Å; I450-T585 WeakPolarHBondContact CA-O 3.25Å; V451-T585 WeakPolarHBondContact CB-OG1 3.2Å; V451-T585 PolarHBondContact N-O 3.25Å; V451-T585 PolarHBondContact O-N 3.48Å; C454-T585 WeakPolarHBondContact SG-CG2 3.3Å; C454-T585 PolarHBondContact SG-OG1 3.13Å; M470-T585 HydrophobicContact CB-CG2 4.05Å; H471-T585 CarbonylContact O-C 3.57Å; H471-T585 WeakPolarHBondContact O-CA 3.47Å; H471-T585 WeakPolarHBondContact O-CB 3.25Å; D583-T585 HydrophobicContact CB-CG2 3.95Å
586	L	98.4	Very high	97.9	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.3	163.5	-177.9	67.2	0	0	0	108.9	Q449 H471 L473 T588 L712 P714	Q449-L586 HydrophobicContact CB-CD1 4.29Å; Q449-L586 HydrophobicContact CG-CD1 3.76Å; H471-L586 HydrophobicContact CB-CB 4.35Å; H471-L586 PolarHBondContact N-O 2.91Å; H471-L586 PolarHBondContact O-N 3.25Å; L473-L586 HydrophobicContact CD2-CB 4.11Å; L586-T588 VanDerWaalsContact C-N 3.29Å; L586-T588 HydrophobicContact CD2-CG2 4.13Å; L586-T588 HydrophobicContact CG-CG2 4.23Å; L586-T588 PolarHBondContact O-N 3.2Å; L586-L712 HydrophobicContact CD1-CD2 4.35Å; L586-L712 HydrophobicContact CD2-CD2 4.31Å; L586-P714 HydrophobicContact CD2-CG 4.3Å
587	L	98.1	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.			trans	-79	84.2	171.1	-174.4	58.8	0	0	0	108.5	Q449 V451 I459 I468 M470 K589 G590 Y591 L594	Q449-L587 WeakPolarHBondContact O-CB 3.29Å; Q449-L587 PolarHBondContact O-N 3.17Å; V451-L587 HydrophobicContact CG2-CB 4.28Å; I459-L587 HydrophobicContact CG2-CD2 4.46Å; I468-L587 HydrophobicContact CG2-CD1 3.89Å; M470-L587 HydrophobicContact CG-CD1 3.89Å; M470-L587 HydrophobicContact SD-CD1 4.45Å; L587-K589 PolarHBondContact O-N 3.11Å; L587-K589 VanDerWaalsContact O-N 3.1Å; L587-G590 VanDerWaalsContact CD2-O 3.32Å; L587-G590 WeakPolarHBondContact CD2-O 3.47Å; L587-G590 WeakPolarHBondContact O-CA 3.31Å; L587-G590 PolarHBondContact O-N 2.96Å; L587-Y591 HydrophobicContact CD2-CD1 3.8Å; L587-Y591 HydrophobicContact CD2-CD2 4.09Å; L587-Y591 HydrophobicContact CD2-CE1 4.15Å; L587-Y591 HydrophobicContact CD2-CE2 4.41Å; L587-Y591 HydrophobicContact CD2-CG 3.79Å; L587-L594 HydrophobicContact CD2-CD1 3.95Å; L587-L594 HydrophobicContact CD2-CG 4.48Å
588	T	96.5	Very high	98	Very high	46 Å²	46	37.7 Å²	37.7	28%	0.282	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.2	-172.6	55.5	0	0	0	0	114.3	T443 H471 L586 G590 P714	T443-T588 WeakPolarHBondContact CB-O 3.32Å; H471-T588 HydrophobicContact CB-CG2 3.87Å; L586-T588 VanDerWaalsContact C-N 3.29Å; L586-T588 HydrophobicContact CD2-CG2 4.13Å; L586-T588 HydrophobicContact CG-CG2 4.23Å; L586-T588 PolarHBondContact O-N 3.2Å; T588-G590 VanDerWaalsContact C-N 3.3Å; T588-P714 HydrophobicContact CG2-CG 4.29Å
589	K	97	Very high	98	Very high	126 Å²	126	36.7 Å²	36.7	55%	0.548	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.9	173.3	-65.7	-61.8	-175.5	-176.7	0	114.1	I468 L587 V593	I468-K589 HydrophobicContact CG2-CB 4.28Å; I468-K589 HydrophobicContact CG2-CG 4.13Å; L587-K589 PolarHBondContact O-N 3.11Å; L587-K589 VanDerWaalsContact O-N 3.1Å; K589-V593 HydrophobicContact CB-CG2 4.26Å; K589-V593 WeakPolarHBondContact O-CG1 3.45Å
590	G	98	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.			trans	77.5	161.1	-174.5	0	0	0	0	0	113.2	D436 L587 T588 S592 V593	D436-G590 WeakPolarHBondContact OD2-CA 3.44Å; L587-G590 VanDerWaalsContact CD2-O 3.32Å; L587-G590 WeakPolarHBondContact CD2-O 3.47Å; L587-G590 WeakPolarHBondContact O-CA 3.31Å; L587-G590 PolarHBondContact O-N 2.96Å; T588-G590 VanDerWaalsContact C-N 3.3Å; G590-S592 VanDerWaalsContact C-N 3.34Å; G590-V593 WeakPolarHBondContact O-CG2 3.43Å
591	Y	98.8	Very high	97.9	Very high	5 Å²	5	41 Å²	41	2%	0.02	24%	0.235	C	C	.	.	S	Bend	trans	-76.5	-22.8	176.2	-85.5	-83.7	0	0	0	112.8	V434 D436 A448 I450 V451 I459 L587 V593 L594 L595 V817	V434-Y591 VanDerWaalsContact CG1-CB 3.44Å; V434-Y591 HydrophobicContact CG2-CG 4.43Å; D436-Y591 PolarHBondContact OD2-N 2.87Å; A448-Y591 HydrophobicContact CB-CD2 4.03Å; A448-Y591 HydrophobicContact CB-CE2 4.04Å; A448-Y591 WeakPolarHBondContact O-CD2 3.23Å; I450-Y591 PolarHBondContact O-OH 2.8Å; V451-Y591 WeakPolarHBondContact CG2-OH 3.4Å; I459-Y591 HydrophobicContact CB-CE1 4.45Å; I459-Y591 HydrophobicContact CD1-CD1 4.34Å; I459-Y591 HydrophobicContact CD1-CE1 3.78Å; I459-Y591 HydrophobicContact CG1-CE1 3.87Å; I459-Y591 HydrophobicContact CG2-CD1 4.46Å; I459-Y591 HydrophobicContact CG2-CE1 3.74Å; L587-Y591 HydrophobicContact CD2-CD1 3.8Å; L587-Y591 HydrophobicContact CD2-CD2 4.09Å; L587-Y591 HydrophobicContact CD2-CE1 4.15Å; L587-Y591 HydrophobicContact CD2-CE2 4.41Å; L587-Y591 HydrophobicContact CD2-CG 3.79Å; Y591-V593 PolarHBondContact O-N 2.9Å; Y591-L594 HydrophobicContact CD1-CD1 4.35Å; Y591-L594 WeakPolarHBondContact O-CB 3.46Å; Y591-L594 PolarHBondContact O-N 3.26Å; Y591-L595 PolarHBondContact O-N 3.2Å; Y591-L595 VanDerWaalsContact O-N 3.15Å; Y591-V817 HydrophobicContact CD1-CB 4.24Å; Y591-V817 HydrophobicContact CD1-CG1 3.77Å; Y591-V817 HydrophobicContact CD1-CG2 4.32Å; Y591-V817 HydrophobicContact CD2-CG2 4.49Å; Y591-V817 HydrophobicContact CE1-CB 3.82Å; Y591-V817 HydrophobicContact CE1-CG1 3.74Å; Y591-V817 HydrophobicContact CE1-CG2 4.16Å; Y591-V817 HydrophobicContact CE2-CG2 4.34Å; Y591-V817 HydrophobicContact CG-CG2 4.46Å
592	S	98.4	Very high	98	Very high	26 Å²	26	40.1 Å²	40.1	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-54.4	-39.2	-178.8	57.5	0	0	0	0	112	D436 G590 L594 L595 H596	D436-S592 WeakPolarHBondContact OD2-CA 3.45Å; D436-S592 WeakPolarHBondContact OD2-CB 3.36Å; D436-S592 PolarHBondContact OD2-N 3.05Å; D436-S592 PolarHBondContact OD2-OG 3.07Å; G590-S592 VanDerWaalsContact C-N 3.34Å; S592-L594 VanDerWaalsContact C-N 3.27Å; S592-L594 PolarHBondContact O-N 3.01Å; S592-L595 PolarHBondContact O-N 2.97Å; S592-H596 WeakPolarHBondContact O-CB 3.47Å; S592-H596 PolarHBondContact O-CD2 2.78Å; S592-H596 PolarHBondContact O-N 2.93Å
593	V	98.4	Very high	98.1	Very high	46 Å²	46	41 Å²	41	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-37.3	178.9	-56.3	0	0	0	0	112.2	I468 K589 G590 Y591 K597	I468-V593 HydrophobicContact CD1-CG2 3.59Å; K589-V593 HydrophobicContact CB-CG2 4.26Å; K589-V593 WeakPolarHBondContact O-CG1 3.45Å; G590-V593 WeakPolarHBondContact O-CG2 3.43Å; Y591-V593 PolarHBondContact O-N 2.9Å; V593-K597 WeakPolarHBondContact O-CB 3.49Å; V593-K597 PolarHBondContact O-N 3.47Å; V593-K597 VanDerWaalsContact O-N 3.17Å
594	L	98.7	Very high	98.1	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-71.9	-44.1	177	-54.9	-176.3	0	0	0	110.5	I459 M462 M466 I468 L587 Y591 S592 K597 L598	I459-L594 HydrophobicContact CG2-CD1 3.78Å; M462-L594 HydrophobicContact CB-CD1 4.37Å; M462-L594 HydrophobicContact CB-CD2 4.15Å; M462-L594 HydrophobicContact CE-CD1 4.41Å; M466-L594 HydrophobicContact SD-CD2 3.47Å; M466-L594 WeakPolarHBondContact SD-CD2 3.39Å; I468-L594 HydrophobicContact CD1-CD2 3.89Å; L587-L594 HydrophobicContact CD2-CD1 3.95Å; L587-L594 HydrophobicContact CD2-CG 4.48Å; Y591-L594 HydrophobicContact CD1-CD1 4.35Å; Y591-L594 WeakPolarHBondContact O-CB 3.46Å; Y591-L594 PolarHBondContact O-N 3.26Å; S592-L594 VanDerWaalsContact C-N 3.27Å; S592-L594 PolarHBondContact O-N 3.01Å; L594-K597 WeakPolarHBondContact O-CB 3.46Å; L594-K597 PolarHBondContact O-N 3.38Å; L594-L598 WeakPolarHBondContact O-CG 3.45Å; L594-L598 PolarHBondContact O-N 3.2Å
595	L	98.7	Very high	98.1	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-38.7	-179.6	-63.1	-161.3	0	0	0	112.6	A405 L408 V434 Y591 S592 K597 L598 A599	A405-L595 HydrophobicContact CB-CD1 4.42Å; A405-L595 HydrophobicContact CB-CD2 4.03Å; L408-L595 HydrophobicContact CD1-CB 3.84Å; L408-L595 HydrophobicContact CD1-CD1 4.37Å; L408-L595 HydrophobicContact CD1-CD2 4.44Å; L408-L595 HydrophobicContact CD1-CG 4.44Å; V434-L595 HydrophobicContact CB-CD1 3.59Å; V434-L595 HydrophobicContact CG1-CD1 3.78Å; V434-L595 HydrophobicContact CG1-CG 4.31Å; V434-L595 HydrophobicContact CG2-CD1 3.85Å; Y591-L595 PolarHBondContact O-N 3.2Å; Y591-L595 VanDerWaalsContact O-N 3.15Å; S592-L595 PolarHBondContact O-N 2.97Å; L595-K597 VanDerWaalsContact C-N 3.27Å; L595-K597 PolarHBondContact O-N 2.62Å; L595-L598 HydrophobicContact CD2-CD1 3.94Å; L595-L598 PolarHBondContact O-N 3.48Å; L595-A599 WeakPolarHBondContact O-CB 3.13Å; L595-A599 PolarHBondContact O-N 2.67Å
596	H	98.6	Very high	98.1	Very high	114 Å²	114	44.6 Å²	44.6	53%	0.528	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-38.9	171.3	-77	-59.2	0	0	0	111.2	S592 A599 E600	S592-H596 WeakPolarHBondContact O-CB 3.47Å; S592-H596 PolarHBondContact O-CD2 2.78Å; S592-H596 PolarHBondContact O-N 2.93Å; H596-A599 PolarHBondContact O-N 3.28Å; H596-E600 PolarHBondContact O-N 3.02Å; H596-E600 VanDerWaalsContact O-N 3.17Å
597	K	98.6	Very high	98.1	Very high	70 Å²	70	49 Å²	49	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-67.5	-39.2	176	-167.1	68.3	-174.8	167	0	112.6	V381 M466 V593 L594 L595 A599 E600	V381-K597 HydrophobicContact CB-CB 4.28Å; V381-K597 HydrophobicContact CB-CG 3.65Å; V381-K597 HydrophobicContact CG1-CB 3.9Å; V381-K597 HydrophobicContact CG1-CG 3.85Å; V381-K597 HydrophobicContact CG2-CG 4.29Å; M466-K597 HydrophobicContact CE-CB 3.96Å; M466-K597 HydrophobicContact CE-CD 4.44Å; M466-K597 HydrophobicContact CE-CG 4.14Å; M466-K597 HydrophobicContact SD-CB 3.89Å; M466-K597 HydrophobicContact SD-CG 3.95Å; V593-K597 WeakPolarHBondContact O-CB 3.49Å; V593-K597 PolarHBondContact O-N 3.47Å; V593-K597 VanDerWaalsContact O-N 3.17Å; L594-K597 WeakPolarHBondContact O-CB 3.46Å; L594-K597 PolarHBondContact O-N 3.38Å; L595-K597 VanDerWaalsContact C-N 3.27Å; L595-K597 PolarHBondContact O-N 2.62Å; K597-A599 VanDerWaalsContact C-N 3.29Å; K597-A599 PolarHBondContact O-N 2.91Å; K597-E600 WeakPolarHBondContact CD-OE2 3.28Å; K597-E600 WeakPolarHBondContact CE-OE2 3.24Å; K597-E600 IonicContact NZ-OE1 3.9Å; K597-E600 IonicContact NZ-OE2 2.83Å; K597-E600 PolarHBondContact NZ-OE2 3.32Å; K597-E600 PolarHBondContact O-N 2.92Å
598	L	98.7	Very high	98.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-36.7	172.2	-70	173.4	0	0	0	112.2	G380 V381 L408 R412 M462 L594 L595 E600 L602 Y821	G380-L598 WeakPolarHBondContact O-CD2 3.22Å; V381-L598 HydrophobicContact CG1-CD2 4Å; V381-L598 HydrophobicContact CG1-CG 4.1Å; L408-L598 HydrophobicContact CB-CB 4.18Å; L408-L598 HydrophobicContact CB-CD1 4.46Å; R412-L598 HydrophobicContact CB-CD2 4.08Å; R412-L598 HydrophobicContact CG-CD2 3.81Å; M462-L598 HydrophobicContact SD-CD1 4.16Å; M462-L598 HydrophobicContact SD-CD2 4.1Å; M462-L598 HydrophobicContact SD-CG 4.3Å; L594-L598 WeakPolarHBondContact O-CG 3.45Å; L594-L598 PolarHBondContact O-N 3.2Å; L595-L598 HydrophobicContact CD2-CD1 3.94Å; L595-L598 PolarHBondContact O-N 3.48Å; L598-E600 VanDerWaalsContact C-N 3.33Å; L598-L602 WeakPolarHBondContact O-CD1 3.36Å; L598-Y821 HydrophobicContact CD1-CD2 4.22Å; L598-Y821 HydrophobicContact CD1-CE2 4.2Å; L598-Y821 HydrophobicContact CD2-CE2 4.41Å
599	A	98.6	Very high	98.2	Very high	15 Å²	15	47.8 Å²	47.8	12%	0.124	25%	0.253	C	S	.	.	H	α-helix	trans	-74.7	-17.4	-178.4	0	0	0	0	0	114.6	L408 I430 L595 H596 K597 G601 L602 I604	L408-A599 HydrophobicContact CD2-CB 3.85Å; I430-A599 HydrophobicContact CD1-CB 3.55Å; L595-A599 WeakPolarHBondContact O-CB 3.13Å; L595-A599 PolarHBondContact O-N 2.67Å; H596-A599 PolarHBondContact O-N 3.28Å; K597-A599 VanDerWaalsContact C-N 3.29Å; K597-A599 PolarHBondContact O-N 2.91Å; A599-G601 PolarHBondContact O-N 3.11Å; A599-L602 WeakPolarHBondContact O-CB 3.4Å; A599-L602 PolarHBondContact O-N 3.49Å; A599-L602 VanDerWaalsContact O-N 3.08Å; A599-I604 HydrophobicContact CB-CD1 3.78Å
600	E	97.7	Very high	98.3	Very high	111 Å²	111	42.4 Å²	42.4	52%	0.519	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	121.3	-175.6	-167.7	-177	159.8	0	0	111.8	R412 H596 K597 L598 L602	R412-E600 PolarHBondContact NH1-O 3.17Å; H596-E600 PolarHBondContact O-N 3.02Å; H596-E600 VanDerWaalsContact O-N 3.17Å; K597-E600 WeakPolarHBondContact CD-OE2 3.28Å; K597-E600 WeakPolarHBondContact CE-OE2 3.24Å; K597-E600 IonicContact NZ-OE1 3.9Å; K597-E600 IonicContact NZ-OE2 2.83Å; K597-E600 PolarHBondContact NZ-OE2 3.32Å; K597-E600 PolarHBondContact O-N 2.92Å; L598-E600 VanDerWaalsContact C-N 3.33Å; E600-L602 VanDerWaalsContact C-N 3.33Å; E600-L602 PolarHBondContact O-N 3.23Å
601	G	96.1	Very high	98.3	Very high	63 Å²	63	46.6 Å²	46.6	65%	0.649	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.5	-180	0	0	0	0	0	115.5	Q415 A599	Q415-G601 PolarHBondContact NE2-O 2.86Å; A599-G601 PolarHBondContact O-N 3.11Å
602	L	97.6	Very high	98.3	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.131	26%	0.258	C	S	.	.			trans	-83.5	148.4	173.1	-59.1	-174.4	0	0	0	111.7	L408 A411 Q415 L598 A599 E600 I604	L408-L602 HydrophobicContact CD2-CD1 4.17Å; A411-L602 HydrophobicContact CB-CD1 3.74Å; A411-L602 HydrophobicContact CB-CD2 4.49Å; Q415-L602 HydrophobicContact CB-CD2 3.97Å; Q415-L602 HydrophobicContact CG-CD2 4.32Å; L598-L602 WeakPolarHBondContact O-CD1 3.36Å; A599-L602 WeakPolarHBondContact O-CB 3.4Å; A599-L602 PolarHBondContact O-N 3.49Å; A599-L602 VanDerWaalsContact O-N 3.08Å; E600-L602 VanDerWaalsContact C-N 3.33Å; E600-L602 PolarHBondContact O-N 3.23Å; L602-I604 HydrophobicContact CB-CD1 4.12Å; L602-I604 HydrophobicContact CB-CG1 3.88Å; L602-I604 PolarHBondContact O-N 3.49Å
603	D	98.2	Very high	98.3	Very high	62 Å²	62	46.2 Å²	46.2	33%	0.332	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	97.3	169.3	-176.9	9.2	0	0	0	109.5	L423 R605	L423-D603 PolarHBondContact N-O 3.32Å; D603-R605 IonicContact OD1-CZ 2.7Å; D603-R605 IonicContact OD1-NE 3.28Å; D603-R605 PolarHBondContact OD1-NE 2.88Å; D603-R605 IonicContact OD1-NH2 3.82Å; D603-R605 PolarHBondContact OD1-NH2 2.9Å; D603-R605 IonicContact OD2-CZ 3.75Å; D603-R605 IonicContact OD2-NE 2.67Å; D603-R605 IonicContact OD2-NH2 3Å; D603-R605 PolarHBondContact OD2-NH2 3.42Å
604	I	98.6	Very high	98.3	Very high	41 Å²	41	46.3 Å²	46.3	21%	0.21	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.3	-178.5	-54.5	178.4	0	0	0	109.7	A403 L408 L423 I430 A599 L602 T606	A403-I604 HydrophobicContact CB-CG2 4.47Å; L408-I604 HydrophobicContact CD2-CD1 3.9Å; L423-I604 HydrophobicContact CB-CB 4.36Å; L423-I604 HydrophobicContact CB-CG1 3.98Å; L423-I604 HydrophobicContact CB-CG2 4.34Å; I430-I604 HydrophobicContact CG2-CD1 4.11Å; I430-I604 HydrophobicContact CG2-CG2 3.99Å; A599-I604 HydrophobicContact CB-CD1 3.78Å; L602-I604 HydrophobicContact CB-CD1 4.12Å; L602-I604 HydrophobicContact CB-CG1 3.88Å; L602-I604 PolarHBondContact O-N 3.49Å; I604-T606 HydrophobicContact CG2-CG2 4.34Å
605	R	98.4	Very high	98.3	Very high	115 Å²	115	46.3 Å²	46.3	43%	0.434	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	100.6	174.5	-50.5	-56.6	173.5	104.7	4.6	109.3	V422 L423 L424 E425 D603 C608	V422-R605 HydrophobicContact CG1-CG 4.25Å; L423-R605 PolarHBondContact O-N 3.47Å; L424-R605 HydrophobicContact CD2-CB 3.88Å; L424-R605 HydrophobicContact CD2-CG 3.95Å; E425-R605 PolarHBondContact N-O 3.23Å; D603-R605 IonicContact OD1-CZ 2.7Å; D603-R605 IonicContact OD1-NE 3.28Å; D603-R605 PolarHBondContact OD1-NE 2.88Å; D603-R605 IonicContact OD1-NH2 3.82Å; D603-R605 PolarHBondContact OD1-NH2 2.9Å; D603-R605 IonicContact OD2-CZ 3.75Å; D603-R605 IonicContact OD2-NE 2.67Å; D603-R605 IonicContact OD2-NH2 3Å; D603-R605 PolarHBondContact OD2-NH2 3.42Å; R605-C608 HydrophobicContact CB-CB 4.23Å; R605-C608 WeakPolarHBondContact O-CB 3.43Å
606	T	98.5	Very high	98.2	Very high	56 Å²	56	49.6 Å²	49.6	34%	0.344	27%	0.272	S	S	.	.			trans	-77.6	169.5	170.7	54.7	0	0	0	0	110.9	E425 R427 I604 C608	E425-T606 HydrophobicContact CB-CG2 4.37Å; E425-T606 HydrophobicContact CG-CG2 4.42Å; E425-T606 CarbonylContact O-C 3.5Å; E425-T606 WeakPolarHBondContact O-CA 3.14Å; R427-T606 CarbonylContact O-C 3.55Å; R427-T606 WeakPolarHBondContact O-CA 3.39Å; R427-T606 WeakPolarHBondContact O-CB 3.39Å; I604-T606 HydrophobicContact CG2-CG2 4.34Å; T606-C608 PolarHBondContact O-N 3.31Å
607	N	98.1	Very high	98.1	Very high	101 Å²	101	46.8 Å²	46.8	54%	0.54	27%	0.269	S	S	.	.	S	Bend	trans	54.6	32.5	-175.1	-60.7	-70.5	0	0	0	112.8	E425 R427 P609	E425-N607 PolarHBondContact O-N 3.31Å; R427-N607 PolarHBondContact O-N 3.45Å; N607-P609 WeakPolarHBondContact O-CD 3.42Å
608	C	98.3	Very high	97.6	Very high	7 Å²	7	50.7 Å²	50.7	5%	0.047	29%	0.293	C	S	.	.			trans	-124.2	64.9	-173.5	-174.3	0	0	0	0	111.3	E425 R605 T606 V610 W630	E425-C608 CarbonylContact O-C 3.05Å; E425-C608 PolarHBondContact O-N 3.24Å; R605-C608 HydrophobicContact CB-CB 4.23Å; R605-C608 WeakPolarHBondContact O-CB 3.43Å; T606-C608 PolarHBondContact O-N 3.31Å; C608-V610 PolarHBondContact O-N 2.88Å; C608-W630 WeakPolarHBondContact SG-CH2 3.26Å
609	P	98.4	Very high	97.4	Very high	14 Å²	14	53 Å²	53	9%	0.091	31%	0.312	C	S	.	.			trans	-68.4	119.7	178.6	21.3	-22.8	0	0	0	110.2	A426 N607 S624 S625 W774	A426-P609 HydrophobicContact CB-CB 3.83Å; N607-P609 WeakPolarHBondContact O-CD 3.42Å; P609-S624 CarbonylContact O-C 3.58Å; P609-S624 VanDerWaalsContact O-CA 3.24Å; P609-S624 WeakPolarHBondContact O-CA 3.45Å; P609-S624 WeakPolarHBondContact O-CB 3.4Å; P609-S625 WeakPolarHBondContact CG-OG 3.22Å; P609-S625 PolarHBondContact O-N 3.21Å; P609-W774 HydrophobicContact CB-CH2 3.27Å; P609-W774 HydrophobicContact CB-CZ2 3.56Å; P609-W774 HydrophobicContact CB-CZ3 3.82Å; P609-W774 HydrophobicContact CG-CH2 3.92Å; P609-W774 HydrophobicContact CG-CZ2 3.84Å
610	V	98.7	Very high	97.4	Very high	12 Å²	12	52.3 Å²	52.3	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.9	175.9	175.5	0	0	0	0	109.7	I401 L424 C608 I613 V622 I649	I401-V610 HydrophobicContact CD1-CB 4.31Å; I401-V610 HydrophobicContact CD1-CG1 3.95Å; I401-V610 HydrophobicContact CD1-CG2 4.07Å; I401-V610 HydrophobicContact CG1-CG2 4.05Å; I401-V610 HydrophobicContact CG2-CB 4.09Å; I401-V610 HydrophobicContact CG2-CG2 3.88Å; L424-V610 HydrophobicContact CB-CG2 4.07Å; L424-V610 HydrophobicContact CD1-CG2 3.81Å; C608-V610 PolarHBondContact O-N 2.88Å; V610-I613 HydrophobicContact CG1-CG1 4.1Å; V610-V622 HydrophobicContact CB-CG1 4.29Å; V610-V622 HydrophobicContact CG1-CG1 3.54Å; V610-V622 HydrophobicContact CG2-CG1 3.71Å; V610-I649 HydrophobicContact CG1-CD1 4.46Å; V610-I649 HydrophobicContact CG1-CG2 4.34Å
611	Q	98.4	Very high	97.5	Very high	88 Å²	88	50.8 Å²	50.8	41%	0.411	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-22.1	178.1	-74.9	-170.6	-11.2	0	0	113.7	T623 R650	Q611-T623 PolarHBondContact N-O 2.58Å; Q611-R650 PolarHBondContact O-N 3.28Å
612	A	98.8	Very high	97.6	Very high	22 Å²	22	47.8 Å²	47.8	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.4	179	0	0	0	0	0	112.5	V622 T623 R650	A612-V622 WeakPolarHBondContact O-CA 3.34Å; A612-T623 PolarHBondContact N-O 2.95Å; A612-T623 VanDerWaalsContact N-O 3.15Å; A612-T623 PolarHBondContact O-N 2.84Å; A612-R650 CarbonylContact C-O 3.3Å; A612-R650 VanDerWaalsContact CA-O 3.28Å; A612-R650 WeakPolarHBondContact CA-O 3.27Å; A612-R650 HydrophobicContact CB-CB 4.44Å
613	I	98.8	Very high	97.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	113.7	172.9	-59.4	173.7	0	0	0	107.3	I401 V610 Y615 V620 V622 V635 V637 I649 R650 F651 N652	I401-I613 HydrophobicContact CD1-CD1 3.41Å; I401-I613 VanDerWaalsContact CD1-CD1 3.41Å; I401-I613 HydrophobicContact CD1-CG1 4Å; V610-I613 HydrophobicContact CG1-CG1 4.1Å; I613-Y615 HydrophobicContact CG2-CD1 4.29Å; I613-V620 HydrophobicContact CG2-CG1 3.75Å; I613-V622 HydrophobicContact CG1-CG2 4.47Å; I613-V635 HydrophobicContact CG2-CG1 3.98Å; I613-V637 HydrophobicContact CD1-CG2 3.7Å; I613-I649 HydrophobicContact CB-CG2 4.45Å; I613-I649 HydrophobicContact CD1-CG2 3.75Å; I613-I649 HydrophobicContact CG1-CG2 3.74Å; I613-R650 PolarHBondContact N-O 2.84Å; I613-F651 HydrophobicContact CB-CD1 4.19Å; I613-F651 HydrophobicContact CB-CE1 4.35Å; I613-F651 HydrophobicContact CD1-CD1 4.35Å; I613-F651 HydrophobicContact CD1-CE1 3.67Å; I613-F651 HydrophobicContact CD1-CZ 4.06Å; I613-F651 WeakPolarHBondContact O-CA 3.48Å; I613-N652 PolarHBondContact O-N 2.79Å
614	D	98.7	Very high	97.6	Very high	48 Å²	48	45.1 Å²	45.1	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.4	174.6	-168.2	-33.4	0	0	0	109.6	S616 V620 K621 N652	D614-S616 VanDerWaalsContact OD1-CB 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.36Å; D614-S616 PolarHBondContact OD1-N 2.69Å; D614-S616 PolarHBondContact OD1-OG 2.94Å; D614-V620 CarbonylContact O-C 3.53Å; D614-V620 WeakPolarHBondContact O-CA 3.38Å; D614-K621 HydrophobicContact CB-CB 4.32Å; D614-K621 PolarHBondContact N-O 3Å; D614-K621 PolarHBondContact O-N 2.73Å; D614-N652 CarbonylContact C-O 3.48Å; D614-N652 WeakPolarHBondContact CA-O 3.41Å; D614-N652 HydrophobicContact CB-CB 4.33Å; D614-N652 VanDerWaalsContact CG-ND2 3.32Å; D614-N652 PolarHBondContact OD1-ND2 3.49Å; D614-N652 PolarHBondContact OD2-ND2 3.06Å
615	Y	98.1	Very high	97.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	26%	0.263	C	S	.	.			trans	-121.5	21.2	179	59.9	-84.8	0	0	0	111.9	I613 A617 F651 N652 P653 P654 V798 V802	I613-Y615 HydrophobicContact CG2-CD1 4.29Å; Y615-A617 VanDerWaalsContact C-N 3.33Å; Y615-F651 HydrophobicContact CE1-CB 4.14Å; Y615-F651 HydrophobicContact CE1-CD1 4.09Å; Y615-N652 WeakPolarHBondContact CD1-O 3.44Å; Y615-N652 PolarHBondContact N-O 3.21Å; Y615-P653 WeakPolarHBondContact CE1-O 3.25Å; Y615-P653 HydrophobicContact CE2-CG 4.49Å; Y615-P653 PolarHBondContact OH-O 3.4Å; Y615-P654 PolarHBondContact OH-O 3.23Å; Y615-V798 HydrophobicContact CE2-CG1 3.69Å; Y615-V802 HydrophobicContact CD1-CG2 3.59Å; Y615-V802 HydrophobicContact CD2-CG2 4.1Å; Y615-V802 HydrophobicContact CE1-CG2 4.03Å; Y615-V802 HydrophobicContact CG-CG2 3.6Å
616	S	97.3	Very high	97.3	Very high	75 Å²	75	45.5 Å²	45.5	52%	0.524	27%	0.269	S	S	.	.	S	Bend	trans	-69.2	-29.9	177.1	63.6	0	0	0	0	113.2	D614 N652	D614-S616 VanDerWaalsContact OD1-CB 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.36Å; D614-S616 PolarHBondContact OD1-N 2.69Å; D614-S616 PolarHBondContact OD1-OG 2.94Å; S616-N652 PolarHBondContact N-O 3.07Å
617	A	94.9	Very high	97.1	Very high	55 Å²	55	45 Å²	45	46%	0.455	28%	0.275	S	S	.	.	S	Bend	trans	-96	178.6	177.6	0	0	0	0	0	112.2	Y615 A619 K801	Y615-A617 VanDerWaalsContact C-N 3.33Å; A617-A619 VanDerWaalsContact C-N 3.34Å; A617-A619 PolarHBondContact O-N 3.45Å; A617-K801 PolarHBondContact O-NZ 2.65Å
618	D	89.8	Confident	97.1	Very high	152 Å²	152	42.6 Å²	42.6	81%	0.813	27%	0.266	S	S	*	.	S	Bend	trans	-61	-40.3	178.5	-70.8	-21.9	0	0	0	113.1
619	A	94.5	Very high	97	Very high	48 Å²	48	47.5 Å²	47.5	40%	0.397	29%	0.289	S	S	.	.	S	Bend	trans	-98.3	136.5	173.8	0	0	0	0	0	110.4	A617 A632	A617-A619 VanDerWaalsContact C-N 3.34Å; A617-A619 PolarHBondContact O-N 3.45Å; A619-A632 CarbonylContact C-O 3.53Å; A619-A632 WeakPolarHBondContact CA-O 3.29Å
620	V	97.9	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.9	173	-175.3	0	0	0	0	109.2	I613 D614 V622 T631 A632 V635 K801	I613-V620 HydrophobicContact CG2-CG1 3.75Å; D614-V620 CarbonylContact O-C 3.53Å; D614-V620 WeakPolarHBondContact O-CA 3.38Å; V620-V622 HydrophobicContact CG1-CG2 4.28Å; V620-T631 VanDerWaalsContact O-CA 3.26Å; V620-T631 WeakPolarHBondContact O-CA 3.4Å; V620-A632 PolarHBondContact N-O 2.85Å; V620-A632 PolarHBondContact O-N 3.38Å; V620-V635 HydrophobicContact CG1-CB 4.06Å; V620-V635 HydrophobicContact CG1-CG1 3.76Å; V620-K801 HydrophobicContact CG2-CB 4.01Å
621	K	98.6	Very high	97	Very high	80 Å²	80	52 Å²	52	35%	0.348	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.9	174.7	179.6	-179.7	178.9	172.7	0	110.1	D614 Q629 W630	D614-K621 HydrophobicContact CB-CB 4.32Å; D614-K621 PolarHBondContact N-O 3Å; D614-K621 PolarHBondContact O-N 2.73Å; K621-Q629 VanDerWaalsContact NZ-CD 3.34Å; K621-W630 CarbonylContact C-O 3.56Å; K621-W630 WeakPolarHBondContact CA-O 3.38Å
622	V	98.8	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.1	178.2	-177.6	0	0	0	0	108.9	I399 I401 L424 V610 A612 I613 V620 Q629 W630 V635	I399-V622 HydrophobicContact CB-CG2 4.46Å; I399-V622 HydrophobicContact CD1-CB 4.11Å; I399-V622 HydrophobicContact CD1-CG2 3.72Å; I399-V622 HydrophobicContact CG2-CG2 4.14Å; I401-V622 HydrophobicContact CD1-CG1 4.12Å; L424-V622 HydrophobicContact CD1-CG1 3.88Å; V610-V622 HydrophobicContact CB-CG1 4.29Å; V610-V622 HydrophobicContact CG1-CG1 3.54Å; V610-V622 HydrophobicContact CG2-CG1 3.71Å; A612-V622 WeakPolarHBondContact O-CA 3.34Å; I613-V622 HydrophobicContact CG1-CG2 4.47Å; V620-V622 HydrophobicContact CG1-CG2 4.28Å; V622-Q629 WeakPolarHBondContact O-CA 3.25Å; V622-W630 PolarHBondContact N-O 2.67Å; V622-W630 PolarHBondContact O-N 2.71Å; V622-V635 HydrophobicContact CG2-CG2 3.99Å
623	T	98.7	Very high	96.7	Very high	30 Å²	30	50.9 Å²	50.9	18%	0.184	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.8	-179	-50.1	0	0	0	0	110.6	Q611 A612 S628 Q629	Q611-T623 PolarHBondContact N-O 2.58Å; A612-T623 PolarHBondContact N-O 2.95Å; A612-T623 VanDerWaalsContact N-O 3.15Å; A612-T623 PolarHBondContact O-N 2.84Å; T623-S628 WeakPolarHBondContact CA-O 3.16Å; T623-Q629 HydrophobicContact CG2-CG 4.01Å
624	S	97.8	Very high	96.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	169.3	174.4	56.6	0	0	0	0	112.7	P609 N626 G627 S628	P609-S624 CarbonylContact O-C 3.58Å; P609-S624 VanDerWaalsContact O-CA 3.24Å; P609-S624 WeakPolarHBondContact O-CA 3.45Å; P609-S624 WeakPolarHBondContact O-CB 3.4Å; S624-N626 PolarHBondContact O-N 3.49Å; S624-N626 PolarHBondContact OG-OD1 2.84Å; S624-G627 PolarHBondContact O-N 2.89Å; S624-S628 PolarHBondContact N-O 3.49Å; S624-S628 VanDerWaalsContact OG-CB 3.32Å; S624-S628 WeakPolarHBondContact OG-CB 3.38Å; S624-S628 PolarHBondContact OG-N 3.44Å; S624-S628 PolarHBondContact OG-O 3.17Å
625	S	95.7	Very high	96.6	Very high	57 Å²	57	50.4 Å²	50.4	40%	0.399	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.9	178.1	65.6	0	0	0	0	114.9	P609 G627	P609-S625 WeakPolarHBondContact CG-OG 3.22Å; P609-S625 PolarHBondContact O-N 3.21Å; S625-G627 VanDerWaalsContact C-N 3.25Å; S625-G627 PolarHBondContact O-N 3.24Å
626	N	93.9	Very high	96.6	Very high	106 Å²	106	50.3 Å²	50.3	57%	0.567	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	6.8	177.3	70.2	5	0	0	0	113.2	S624 S628	S624-N626 PolarHBondContact O-N 3.49Å; S624-N626 PolarHBondContact OG-OD1 2.84Å; N626-S628 VanDerWaalsContact C-N 3.33Å; N626-S628 PolarHBondContact O-N 3.47Å; N626-S628 VanDerWaalsContact OD1-CB 3.3Å; N626-S628 WeakPolarHBondContact OD1-CB 3.14Å; N626-S628 PolarHBondContact OD1-N 3.03Å; N626-S628 VanDerWaalsContact OD1-N 3.09Å; N626-S628 PolarHBondContact OD1-OG 3.35Å
627	G	94.9	Very high	96.7	Very high	46 Å²	46	46.8 Å²	46.8	47%	0.474	27%	0.274	S	S	.	.	S	Bend	trans	83.5	-1	178.9	0	0	0	0	0	115.4	S624 S625	S624-G627 PolarHBondContact O-N 2.89Å; S625-G627 VanDerWaalsContact C-N 3.25Å; S625-G627 PolarHBondContact O-N 3.24Å
628	S	97.3	Very high	96.9	Very high	50 Å²	50	45 Å²	45	35%	0.35	26%	0.257	S	S	.	.			trans	-64.4	146.2	174.1	-55.6	0	0	0	0	110.9	T623 S624 N626 W630	T623-S628 WeakPolarHBondContact CA-O 3.16Å; S624-S628 PolarHBondContact N-O 3.49Å; S624-S628 VanDerWaalsContact OG-CB 3.32Å; S624-S628 WeakPolarHBondContact OG-CB 3.38Å; S624-S628 PolarHBondContact OG-N 3.44Å; S624-S628 PolarHBondContact OG-O 3.17Å; N626-S628 VanDerWaalsContact C-N 3.33Å; N626-S628 PolarHBondContact O-N 3.47Å; N626-S628 VanDerWaalsContact OD1-CB 3.3Å; N626-S628 WeakPolarHBondContact OD1-CB 3.14Å; N626-S628 PolarHBondContact OD1-N 3.03Å; N626-S628 VanDerWaalsContact OD1-N 3.09Å; N626-S628 PolarHBondContact OD1-OG 3.35Å; S628-W630 WeakPolarHBondContact O-CZ3 3Å
629	Q	97.6	Very high	97.3	Very high	111 Å²	111	38.7 Å²	38.7	52%	0.519	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.8	-173.2	-69.6	176.8	2.5	0	0	111.8	K621 V622 T623	K621-Q629 VanDerWaalsContact NZ-CD 3.34Å; V622-Q629 WeakPolarHBondContact O-CA 3.25Å; T623-Q629 HydrophobicContact CG2-CG 4.01Å
630	W	98.1	Very high	97.5	Very high	39 Å²	39	37.3 Å²	37.3	15%	0.148	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.2	173.4	-61.9	-101	0	0	0	109.8	I399 L424 C608 K621 V622 S628	I399-W630 HydrophobicContact CD1-CB 3.47Å; I399-W630 VanDerWaalsContact CD1-CB 3.47Å; I399-W630 HydrophobicContact CG1-CB 4.22Å; L424-W630 HydrophobicContact CD1-CD2 3.94Å; L424-W630 HydrophobicContact CD1-CE3 3.73Å; L424-W630 HydrophobicContact CD1-CG 4.47Å; L424-W630 HydrophobicContact CD1-CZ3 4.09Å; L424-W630 HydrophobicContact CD2-CD2 4.07Å; L424-W630 HydrophobicContact CD2-CE3 4.45Å; L424-W630 HydrophobicContact CD2-CH2 4.28Å; L424-W630 HydrophobicContact CD2-CZ2 3.85Å; C608-W630 WeakPolarHBondContact SG-CH2 3.26Å; K621-W630 CarbonylContact C-O 3.56Å; K621-W630 WeakPolarHBondContact CA-O 3.38Å; V622-W630 PolarHBondContact N-O 2.67Å; V622-W630 PolarHBondContact O-N 2.71Å; S628-W630 WeakPolarHBondContact O-CZ3 3Å
631	T	97.7	Very high	97.6	Very high	80 Å²	80	37.4 Å²	37.4	49%	0.491	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.7	171.9	56.3	0	0	0	0	110.8	K397 V620	K397-T631 WeakPolarHBondContact CD-O 3.43Å; K397-T631 VanDerWaalsContact CE-O 3.25Å; K397-T631 WeakPolarHBondContact CE-O 3.33Å; K397-T631 PolarHBondContact NZ-O 3.46Å; V620-T631 VanDerWaalsContact O-CA 3.26Å; V620-T631 WeakPolarHBondContact O-CA 3.4Å
632	A	97.1	Very high	97.6	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	167.8	178.4	0	0	0	0	0	110.9	K397 I399 A619 V620	K397-A632 HydrophobicContact CB-CB 4.45Å; K397-A632 HydrophobicContact CG-CB 4.2Å; K397-A632 WeakPolarHBondContact O-CB 3.44Å; I399-A632 HydrophobicContact CB-CB 4.37Å; I399-A632 HydrophobicContact CD1-CB 3.57Å; I399-A632 HydrophobicContact CG1-CB 3.68Å; A619-A632 CarbonylContact C-O 3.53Å; A619-A632 WeakPolarHBondContact CA-O 3.29Å; V620-A632 PolarHBondContact N-O 2.85Å; V620-A632 PolarHBondContact O-N 3.38Å
633	Q	94.3	Very high	97.5	Very high	81 Å²	81	34.6 Å²	34.6	38%	0.379	20%	0.201	S	C	.	.	S	Bend	trans	-76.5	-35.6	174.4	-68.2	179.2	-42.4	0	0	111.5	K397	K397-Q633 PolarHBondContact O-N 2.86Å; K397-Q633 VanDerWaalsContact O-N 3.12Å
634	K	97	Very high	97.5	Very high	39 Å²	39	33.8 Å²	33.8	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.8	-178.5	-54.7	177.9	177.4	179.6	0	109.8	V398 I399 K801 F803 M831	V398-K634 WeakPolarHBondContact CA-O 3.43Å; V398-K634 HydrophobicContact CG2-CB 4.37Å; I399-K634 PolarHBondContact N-O 2.92Å; I399-K634 VanDerWaalsContact N-O 3.14Å; K634-K801 CarbonylContact C-O 3.54Å; K634-K801 WeakPolarHBondContact CA-O 3.14Å; K634-F803 HydrophobicContact CB-CD2 4.32Å; K634-F803 HydrophobicContact CB-CE2 4.01Å; K634-F803 HydrophobicContact CD-CE2 3.74Å; K634-F803 HydrophobicContact CD-CZ 4.18Å; K634-F803 HydrophobicContact CG-CE2 4Å; K634-M831 HydrophobicContact CB-CE 3.47Å; K634-M831 VanDerWaalsContact CB-CE 3.47Å; K634-M831 HydrophobicContact CD-CB 4.19Å; K634-M831 HydrophobicContact CD-CE 4.3Å; K634-M831 HydrophobicContact CD-CG 4.23Å; K634-M831 PolarHBondContact NZ-O 3.08Å
635	V	98.7	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.8	172	66.7	0	0	0	0	109.8	I399 I401 I613 V620 V622 K801 V802 F803	I399-V635 HydrophobicContact CB-CG2 4.17Å; I399-V635 HydrophobicContact CG2-CG2 4.16Å; I399-V635 CarbonylContact O-C 3.58Å; I399-V635 VanDerWaalsContact O-CA 3.27Å; I399-V635 WeakPolarHBondContact O-CA 3.25Å; I401-V635 HydrophobicContact CD1-CG2 3.66Å; I401-V635 HydrophobicContact CG1-CG2 4.08Å; I613-V635 HydrophobicContact CG2-CG1 3.98Å; V620-V635 HydrophobicContact CG1-CB 4.06Å; V620-V635 HydrophobicContact CG1-CG1 3.76Å; V622-V635 HydrophobicContact CG2-CG2 3.99Å; V635-K801 PolarHBondContact N-O 3.23Å; V635-V802 HydrophobicContact CG1-CB 4.1Å; V635-V802 HydrophobicContact CG1-CG1 3.98Å; V635-V802 HydrophobicContact CG1-CG2 3.85Å; V635-F803 PolarHBondContact O-N 3.22Å
636	L	98.9	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.9	172.4	174.7	61.9	0	0	0	109.4	I399 V400 I401 A410 T638 F803 A805 E827 M831	I399-L636 PolarHBondContact O-N 3.28Å; V400-L636 CarbonylContact C-O 3.53Å; V400-L636 WeakPolarHBondContact CA-O 3.31Å; V400-L636 HydrophobicContact CG1-CD2 4.25Å; V400-L636 HydrophobicContact CG2-CB 4.24Å; V400-L636 HydrophobicContact CG2-CD2 4.33Å; I401-L636 PolarHBondContact N-O 3.49Å; A410-L636 HydrophobicContact CB-CD2 3.26Å; L636-T638 HydrophobicContact CD1-CG2 4.28Å; L636-T638 HydrophobicContact CD2-CG2 3.98Å; L636-T638 HydrophobicContact CG-CG2 3.72Å; L636-F803 HydrophobicContact CD1-CB 3.71Å; L636-A805 HydrophobicContact CD1-CB 3.87Å; L636-A805 HydrophobicContact CD2-CB 4.47Å; L636-E827 HydrophobicContact CD1-CB 3.77Å; L636-E827 HydrophobicContact CD1-CG 3.8Å; L636-E827 HydrophobicContact CD2-CB 4.27Å; L636-M831 HydrophobicContact CB-CE 4.21Å; L636-M831 HydrophobicContact CB-SD 4.13Å
637	V	98.9	Very high	97.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.2	177.2	-177.3	0	0	0	0	108.9	I401 I613 V639 L644 F651 V802 F803 F804 A805	I401-V637 HydrophobicContact CD1-CG2 4.35Å; I613-V637 HydrophobicContact CD1-CG2 3.7Å; V637-V639 HydrophobicContact CG1-CG1 4.32Å; V637-V639 HydrophobicContact CG1-CG2 3.77Å; V637-L644 HydrophobicContact CG1-CD2 4.35Å; V637-F651 HydrophobicContact CG2-CE1 4.24Å; V637-F651 HydrophobicContact CG2-CZ 4.32Å; V637-V802 HydrophobicContact CG2-CG1 4.11Å; V637-F803 PolarHBondContact N-O 3.48Å; V637-F804 HydrophobicContact CB-CD1 3.98Å; V637-F804 HydrophobicContact CB-CE1 4.06Å; V637-F804 HydrophobicContact CG1-CD1 4.34Å; V637-F804 HydrophobicContact CG1-CE1 4.31Å; V637-F804 HydrophobicContact CG2-CE1 4.36Å; V637-F804 WeakPolarHBondContact O-CA 3.3Å; V637-A805 PolarHBondContact O-N 3.22Å
638	T	98.9	Very high	97.9	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.098	21%	0.205	C	C	.	.			trans	-124.6	19.1	179.6	75.5	0	0	0	0	113.6	V400 I401 G402 A406 L636 A805	V400-T638 HydrophobicContact CG1-CG2 4.33Å; I401-T638 WeakPolarHBondContact O-CA 3.45Å; I401-T638 WeakPolarHBondContact O-CB 3.39Å; I401-T638 PolarHBondContact O-N 3Å; I401-T638 PolarHBondContact O-OG1 2.99Å; G402-T638 PolarHBondContact O-OG1 3.44Å; G402-T638 VanDerWaalsContact O-OG1 3.13Å; A406-T638 HydrophobicContact CB-CG2 4.27Å; L636-T638 HydrophobicContact CD1-CG2 4.28Å; L636-T638 HydrophobicContact CD2-CG2 3.98Å; L636-T638 HydrophobicContact CG-CG2 3.72Å; T638-A805 WeakPolarHBondContact CA-O 3.47Å; T638-A805 HydrophobicContact CG2-CB 3.93Å
639	V	98.7	Very high	97.9	Very high	21 Å²	21	36.8 Å²	36.8	13%	0.127	19%	0.191	C	C	.	.			trans	-65.8	150.9	-179.9	-57.1	0	0	0	0	111.7	I401 V637 L643 L644 I649	I401-V639 HydrophobicContact CG2-CG1 3.84Å; V637-V639 HydrophobicContact CG1-CG1 4.32Å; V637-V639 HydrophobicContact CG1-CG2 3.77Å; V639-L643 HydrophobicContact CB-CB 4.24Å; V639-L643 HydrophobicContact CB-CD1 4.18Å; V639-L643 HydrophobicContact CG2-CB 4.1Å; V639-L644 HydrophobicContact CG2-CD2 3.6Å; V639-L644 HydrophobicContact CG2-CG 3.84Å; V639-I649 HydrophobicContact CG1-CD1 3.89Å; V639-I649 HydrophobicContact CG2-CD1 4.38Å
640	P	98.8	Very high	98	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.123	20%	0.198	C	C	.	.			trans	-56.7	151.4	174.9	-27.4	38.3	0	0	0	113	T642 L643 M777	P640-T642 PolarHBondContact O-N 3.15Å; P640-L643 PolarHBondContact O-N 2.68Å; P640-M777 HydrophobicContact CB-CG 4.2Å; P640-M777 HydrophobicContact CB-SD 3.76Å
641	L	98.8	Very high	98	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-52.2	-41.3	-177.3	175.8	64.3	0	0	0	112.5	L643 L644 Q645 I663 L666 M777 L794 A808	L641-L643 VanDerWaalsContact C-N 3.29Å; L641-L643 PolarHBondContact O-N 2.79Å; L641-L644 WeakPolarHBondContact O-CB 3.24Å; L641-L644 PolarHBondContact O-N 3.07Å; L641-L644 VanDerWaalsContact O-N 3.09Å; L641-Q645 HydrophobicContact CD1-CG 4.38Å; L641-Q645 HydrophobicContact CG-CG 4.28Å; L641-Q645 WeakPolarHBondContact O-CG 3.49Å; L641-Q645 PolarHBondContact O-N 3.37Å; L641-I663 HydrophobicContact CD1-CG2 4.2Å; L641-L666 HydrophobicContact CD1-CB 4.48Å; L641-L666 HydrophobicContact CD2-CB 3.62Å; L641-M777 HydrophobicContact CB-CE 4.07Å; L641-M777 HydrophobicContact CB-SD 3.82Å; L641-L794 HydrophobicContact CD1-CD2 4.11Å; L641-A808 HydrophobicContact CB-CB 4.02Å; L641-A808 HydrophobicContact CD1-CB 4.47Å
642	T	98.4	Very high	98.1	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-56.5	-38.1	177.4	50.3	0	0	0	0	113.5	P640 L644 Q645 K646 A668 A775 Q776 M777	P640-T642 PolarHBondContact O-N 3.15Å; T642-L644 VanDerWaalsContact C-N 3.29Å; T642-L644 PolarHBondContact O-N 3.07Å; T642-Q645 PolarHBondContact O-N 3.23Å; T642-K646 WeakPolarHBondContact O-CB 3.45Å; T642-K646 VanDerWaalsContact O-CG 3.3Å; T642-K646 WeakPolarHBondContact O-CG 3.21Å; T642-K646 PolarHBondContact O-N 2.86Å; T642-A668 HydrophobicContact CG2-CB 3.29Å; T642-A775 PolarHBondContact OG1-O 3.16Å; T642-Q776 HydrophobicContact CG2-CB 4.28Å; T642-M777 HydrophobicContact CG2-CB 3.74Å; T642-M777 HydrophobicContact CG2-CG 4.01Å; T642-M777 HydrophobicContact CG2-SD 3.9Å
643	L	98.4	Very high	98.1	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-70.6	-30.6	179.7	-62	-166.5	0	0	0	111.3	V639 P640 L641 N647 A648 V773 W774	V639-L643 HydrophobicContact CB-CB 4.24Å; V639-L643 HydrophobicContact CB-CD1 4.18Å; V639-L643 HydrophobicContact CG2-CB 4.1Å; P640-L643 PolarHBondContact O-N 2.68Å; L641-L643 VanDerWaalsContact C-N 3.29Å; L641-L643 PolarHBondContact O-N 2.79Å; L643-N647 PolarHBondContact O-N 3.29Å; L643-A648 HydrophobicContact CB-CB 4.16Å; L643-A648 HydrophobicContact CD2-CB 4.37Å; L643-A648 WeakPolarHBondContact O-CB 3.4Å; L643-A648 PolarHBondContact O-N 3.44Å; L643-V773 WeakPolarHBondContact CD2-O 2.98Å; L643-W774 HydrophobicContact CD1-CE3 4.17Å
644	L	98.4	Very high	98.3	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-70.9	-45.8	170.2	-58.5	177.8	0	0	0	110.8	V637 V639 L641 T642 K646 N647 I663 L794	V637-L644 HydrophobicContact CG1-CD2 4.35Å; V639-L644 HydrophobicContact CG2-CD2 3.6Å; V639-L644 HydrophobicContact CG2-CG 3.84Å; L641-L644 WeakPolarHBondContact O-CB 3.24Å; L641-L644 PolarHBondContact O-N 3.07Å; L641-L644 VanDerWaalsContact O-N 3.09Å; T642-L644 VanDerWaalsContact C-N 3.29Å; T642-L644 PolarHBondContact O-N 3.07Å; L644-K646 VanDerWaalsContact C-N 3.26Å; L644-K646 PolarHBondContact O-N 2.73Å; L644-N647 PolarHBondContact O-N 2.81Å; L644-I663 HydrophobicContact CB-CD1 4.12Å; L644-I663 HydrophobicContact CB-CG1 4.4Å; L644-I663 HydrophobicContact CB-CG2 3.99Å; L644-I663 HydrophobicContact CD1-CD1 4.46Å; L644-L794 HydrophobicContact CD1-CD1 4.09Å; L644-L794 HydrophobicContact CD1-CD2 4.38Å
645	Q	98.5	Very high	98.4	Very high	41 Å²	41	41.1 Å²	41.1	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-34.7	177.6	-70.9	174.8	-20.4	0	0	112.8	L641 T642 N647 I663 H664 L666	L641-Q645 HydrophobicContact CD1-CG 4.38Å; L641-Q645 HydrophobicContact CG-CG 4.28Å; L641-Q645 WeakPolarHBondContact O-CG 3.49Å; L641-Q645 PolarHBondContact O-N 3.37Å; T642-Q645 PolarHBondContact O-N 3.23Å; Q645-N647 VanDerWaalsContact C-N 3.29Å; Q645-I663 HydrophobicContact CB-CG2 4.27Å; Q645-I663 HydrophobicContact CG-CG2 3.47Å; Q645-I663 VanDerWaalsContact CG-CG2 3.47Å; Q645-I663 PolarHBondContact NE2-O 2.92Å; Q645-H664 PolarHBondContact O-CE1 3.15Å; Q645-L666 PolarHBondContact NE2-O 3.48Å
646	K	97.8	Very high	98.3	Very high	125 Å²	125	44.1 Å²	44.1	54%	0.543	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	0.5	177.9	-67.8	-174.9	-177.8	-150.4	0	113.8	T642 L644 A648	T642-K646 WeakPolarHBondContact O-CB 3.45Å; T642-K646 VanDerWaalsContact O-CG 3.3Å; T642-K646 WeakPolarHBondContact O-CG 3.21Å; T642-K646 PolarHBondContact O-N 2.86Å; L644-K646 VanDerWaalsContact C-N 3.26Å; L644-K646 PolarHBondContact O-N 2.73Å; K646-A648 PolarHBondContact O-N 3.41Å
647	N	96.4	Very high	98.3	Very high	103 Å²	103	50.3 Å²	50.3	55%	0.551	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.9	-174.6	-60.8	-66.2	0	0	0	112.6	L643 L644 Q645 I649	L643-N647 PolarHBondContact O-N 3.29Å; L644-N647 PolarHBondContact O-N 2.81Å; Q645-N647 VanDerWaalsContact C-N 3.29Å; N647-I649 PolarHBondContact O-N 3.24Å
648	A	97.4	Very high	98.2	Very high	43 Å²	43	57 Å²	57	36%	0.355	29%	0.288	S	S	.	.			trans	-64.8	-23.4	-177.2	0	0	0	0	0	112.9	L643 K646	L643-A648 HydrophobicContact CB-CB 4.16Å; L643-A648 HydrophobicContact CD2-CB 4.37Å; L643-A648 WeakPolarHBondContact O-CB 3.4Å; L643-A648 PolarHBondContact O-N 3.44Å; K646-A648 PolarHBondContact O-N 3.41Å
649	I	98.5	Very high	98.2	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.056	28%	0.284	C	S	.	.	S	Bend	trans	-112.4	126.7	173.5	-61.7	171.2	0	0	0	108.3	I401 V610 I613 V639 N647 F651	I401-I649 HydrophobicContact CG2-CD1 4.41Å; V610-I649 HydrophobicContact CG1-CD1 4.46Å; V610-I649 HydrophobicContact CG1-CG2 4.34Å; I613-I649 HydrophobicContact CB-CG2 4.45Å; I613-I649 HydrophobicContact CD1-CG2 3.75Å; I613-I649 HydrophobicContact CG1-CG2 3.74Å; V639-I649 HydrophobicContact CG1-CD1 3.89Å; V639-I649 HydrophobicContact CG2-CD1 4.38Å; N647-I649 PolarHBondContact O-N 3.24Å; I649-F651 HydrophobicContact CB-CE2 3.99Å; I649-F651 HydrophobicContact CB-CZ 4.41Å; I649-F651 HydrophobicContact CG2-CD2 4.33Å; I649-F651 HydrophobicContact CG2-CE2 3.91Å; I649-F651 HydrophobicContact CG2-CZ 4.07Å; I649-F651 VanDerWaalsContact O-CD2 3.32Å; I649-F651 WeakPolarHBondContact O-CD2 3.42Å
650	R	98.5	Very high	98.2	Very high	176 Å²	176	58 Å²	58	66%	0.664	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.4	172	-65.7	-176	-65.5	-165.4	-1.1	110.3	Q611 A612 I613	Q611-R650 PolarHBondContact O-N 3.28Å; A612-R650 CarbonylContact C-O 3.3Å; A612-R650 VanDerWaalsContact CA-O 3.28Å; A612-R650 WeakPolarHBondContact CA-O 3.27Å; A612-R650 HydrophobicContact CB-CB 4.44Å; I613-R650 PolarHBondContact N-O 2.84Å
651	F	98.8	Very high	98.2	Very high	29 Å²	29	63.3 Å²	63.3	13%	0.127	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.6	175	-70	-91.5	0	0	0	109.7	I613 Y615 V637 I649 P653 L655 V802 F804	I613-F651 HydrophobicContact CB-CD1 4.19Å; I613-F651 HydrophobicContact CB-CE1 4.35Å; I613-F651 HydrophobicContact CD1-CD1 4.35Å; I613-F651 HydrophobicContact CD1-CE1 3.67Å; I613-F651 HydrophobicContact CD1-CZ 4.06Å; I613-F651 WeakPolarHBondContact O-CA 3.48Å; Y615-F651 HydrophobicContact CE1-CB 4.14Å; Y615-F651 HydrophobicContact CE1-CD1 4.09Å; V637-F651 HydrophobicContact CG2-CE1 4.24Å; V637-F651 HydrophobicContact CG2-CZ 4.32Å; I649-F651 HydrophobicContact CB-CE2 3.99Å; I649-F651 HydrophobicContact CB-CZ 4.41Å; I649-F651 HydrophobicContact CG2-CD2 4.33Å; I649-F651 HydrophobicContact CG2-CE2 3.91Å; I649-F651 HydrophobicContact CG2-CZ 4.07Å; I649-F651 VanDerWaalsContact O-CD2 3.32Å; I649-F651 WeakPolarHBondContact O-CD2 3.42Å; F651-P653 CarbonylContact C-O 3.59Å; F651-P653 WeakPolarHBondContact CB-O 3.35Å; F651-P653 CarbonylContact O-C 3.54Å; F651-P653 VanDerWaalsContact O-C 3.3Å; F651-L655 HydrophobicContact CB-CD2 4.27Å; F651-L655 HydrophobicContact CB-CG 4.17Å; F651-L655 HydrophobicContact CD1-CD2 3.69Å; F651-L655 HydrophobicContact CD1-CG 4.22Å; F651-L655 HydrophobicContact CD2-CD1 3.95Å; F651-L655 HydrophobicContact CD2-CD2 4.24Å; F651-L655 HydrophobicContact CD2-CG 3.86Å; F651-L655 HydrophobicContact CE1-CD2 4.01Å; F651-L655 HydrophobicContact CE2-CD1 3.92Å; F651-L655 HydrophobicContact CE2-CG 4.29Å; F651-L655 HydrophobicContact CG-CD1 4.36Å; F651-L655 HydrophobicContact CG-CD2 3.8Å; F651-L655 HydrophobicContact CG-CG 3.82Å; F651-L655 HydrophobicContact CZ-CD1 4.3Å; F651-L655 HydrophobicContact CZ-CD2 4.44Å; F651-V802 HydrophobicContact CE1-CG1 4.16Å; F651-F804 HydrophobicContact CE1-CZ 4.4Å; F651-F804 HydrophobicContact CZ-CE1 4.42Å
652	N	98.3	Very high	98.1	Very high	77 Å²	77	63.4 Å²	63.4	41%	0.412	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.2	171.9	-177.4	38.9	0	0	0	110.9	I613 D614 Y615 S616	I613-N652 PolarHBondContact O-N 2.79Å; D614-N652 CarbonylContact C-O 3.48Å; D614-N652 WeakPolarHBondContact CA-O 3.41Å; D614-N652 HydrophobicContact CB-CB 4.33Å; D614-N652 VanDerWaalsContact CG-ND2 3.32Å; D614-N652 PolarHBondContact OD1-ND2 3.49Å; D614-N652 PolarHBondContact OD2-ND2 3.06Å; Y615-N652 WeakPolarHBondContact CD1-O 3.44Å; Y615-N652 PolarHBondContact N-O 3.21Å; S616-N652 PolarHBondContact N-O 3.07Å
653	P	98.3	Very high	98.1	Very high	47 Å²	47	63.2 Å²	63.2	31%	0.305	31%	0.313	S	S	.	.	S	Bend	cis	-57.4	167.1	-9.5	-24.1	35.4	0	0	0	113.5	Y615 F651	Y615-P653 WeakPolarHBondContact CE1-O 3.25Å; Y615-P653 HydrophobicContact CE2-CG 4.49Å; Y615-P653 PolarHBondContact OH-O 3.4Å; F651-P653 CarbonylContact C-O 3.59Å; F651-P653 WeakPolarHBondContact CB-O 3.35Å; F651-P653 CarbonylContact O-C 3.54Å; F651-P653 VanDerWaalsContact O-C 3.3Å
654	P	98.3	Very high	98.1	Very high	101 Å²	101	66.6 Å²	66.6	66%	0.656	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-62	158	174.5	-23.2	34.5	0	0	0	113.1	Y615	Y615-P654 PolarHBondContact OH-O 3.23Å
655	L	98.2	Very high	98.1	Very high	16 Å²	16	67.5 Å²	67.5	8%	0.084	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.2	147	173.4	-62.7	-179.1	0	0	0	111.2	F651 K659 L660 I663 F804	F651-L655 HydrophobicContact CB-CD2 4.27Å; F651-L655 HydrophobicContact CB-CG 4.17Å; F651-L655 HydrophobicContact CD1-CD2 3.69Å; F651-L655 HydrophobicContact CD1-CG 4.22Å; F651-L655 HydrophobicContact CD2-CD1 3.95Å; F651-L655 HydrophobicContact CD2-CD2 4.24Å; F651-L655 HydrophobicContact CD2-CG 3.86Å; F651-L655 HydrophobicContact CE1-CD2 4.01Å; F651-L655 HydrophobicContact CE2-CD1 3.92Å; F651-L655 HydrophobicContact CE2-CG 4.29Å; F651-L655 HydrophobicContact CG-CD1 4.36Å; F651-L655 HydrophobicContact CG-CD2 3.8Å; F651-L655 HydrophobicContact CG-CG 3.82Å; F651-L655 HydrophobicContact CZ-CD1 4.3Å; F651-L655 HydrophobicContact CZ-CD2 4.44Å; L655-K659 HydrophobicContact CD1-CD 4.24Å; L655-K659 HydrophobicContact CD2-CD 4.37Å; L655-L660 HydrophobicContact CB-CD2 4.23Å; L655-L660 HydrophobicContact CB-CG 4.42Å; L655-I663 HydrophobicContact CD1-CD1 4.23Å; L655-F804 HydrophobicContact CD1-CZ 4.42Å; L655-F804 HydrophobicContact CD2-CZ 3.84Å
656	P	97.9	Very high	98.2	Very high	64 Å²	64	65.5 Å²	65.5	42%	0.416	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58	143.2	177.1	-24	33.7	0	0	0	112.7	R658 K659 L660	P656-R658 PolarHBondContact O-N 2.79Å; P656-R658 VanDerWaalsContact O-N 3.16Å; P656-K659 WeakPolarHBondContact O-CA 3.46Å; P656-K659 WeakPolarHBondContact O-CB 3.35Å; P656-K659 PolarHBondContact O-N 2.74Å; P656-L660 PolarHBondContact O-N 3.43Å; P656-L660 VanDerWaalsContact O-N 3.11Å
657	E	98.1	Very high	98.2	Very high	130 Å²	130	59.7 Å²	59.7	61%	0.607	30%	0.301	S	S	*	.	H	α-helix	trans	-55.8	-37.2	-179.1	-168.5	-169.3	157.5	0	0	112.5	K659 L660 K661	E657-K659 VanDerWaalsContact C-N 3.28Å; E657-K659 PolarHBondContact O-N 3.21Å; E657-L660 PolarHBondContact O-N 2.78Å; E657-K661 PolarHBondContact O-N 3.41Å; E657-K661 WeakPolarHBondContact OE1-CE 3.22Å; E657-K661 IonicContact OE1-NZ 2.71Å; E657-K661 PolarHBondContact OE1-NZ 2.88Å
658	R	97.8	Very high	98.3	Very high	142 Å²	142	56.3 Å²	56.3	54%	0.536	29%	0.287	S	S	.	.	H	α-helix	trans	-57.4	-40.4	174.5	-174.9	-179.6	176.9	-137.1	-0.1	112	P656 A662 I793 E796	P656-R658 PolarHBondContact O-N 2.79Å; P656-R658 VanDerWaalsContact O-N 3.16Å; R658-A662 PolarHBondContact O-N 2.75Å; R658-I793 HydrophobicContact CG-CD1 4.44Å; R658-I793 HydrophobicContact CG-CG2 3.99Å; R658-E796 IonicContact CZ-OE1 3.24Å; R658-E796 IonicContact CZ-OE2 3.41Å; R658-E796 VanDerWaalsContact NH1-CD 3.31Å; R658-E796 IonicContact NH1-OE1 2.72Å; R658-E796 PolarHBondContact NH1-OE1 3.15Å; R658-E796 IonicContact NH1-OE2 3.42Å; R658-E796 PolarHBondContact NH1-OE2 3.25Å; R658-E796 IonicContact NH2-OE1 3.57Å; R658-E796 PolarHBondContact NH2-OE1 3.49Å
659	K	98.4	Very high	98.4	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.022	27%	0.271	C	S	.	.	H	α-helix	trans	-71.6	-40.2	177.5	-170.8	177.5	-73.8	-69.7	0	111.2	L655 P656 E657 K661 A662 I663 I793 L794 E796 F804	L655-K659 HydrophobicContact CD1-CD 4.24Å; L655-K659 HydrophobicContact CD2-CD 4.37Å; P656-K659 WeakPolarHBondContact O-CA 3.46Å; P656-K659 WeakPolarHBondContact O-CB 3.35Å; P656-K659 PolarHBondContact O-N 2.74Å; E657-K659 VanDerWaalsContact C-N 3.28Å; E657-K659 PolarHBondContact O-N 3.21Å; K659-K661 PolarHBondContact O-N 2.87Å; K659-A662 PolarHBondContact O-N 2.97Å; K659-I663 HydrophobicContact CG-CD1 4.17Å; K659-I663 VanDerWaalsContact O-CG1 3.3Å; K659-I663 WeakPolarHBondContact O-CG1 3.47Å; K659-I663 PolarHBondContact O-N 3.12Å; K659-I793 PolarHBondContact NZ-O 3.02Å; K659-L794 HydrophobicContact CD-CD1 4.44Å; K659-L794 HydrophobicContact CG-CD1 4.11Å; K659-L794 PolarHBondContact NZ-O 3.17Å; K659-E796 WeakPolarHBondContact CE-O 3.39Å; K659-E796 PolarHBondContact NZ-O 3.35Å; K659-F804 HydrophobicContact CD-CE2 4Å; K659-F804 HydrophobicContact CD-CZ 4.02Å
660	L	98.3	Very high	98.4	Very high	54 Å²	54	55.5 Å²	55.5	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-43.4	174.7	-64.4	175	0	0	0	111.9	L655 P656 E657 A662 I663 H664	L655-L660 HydrophobicContact CB-CD2 4.23Å; L655-L660 HydrophobicContact CB-CG 4.42Å; P656-L660 PolarHBondContact O-N 3.43Å; P656-L660 VanDerWaalsContact O-N 3.11Å; E657-L660 PolarHBondContact O-N 2.78Å; L660-A662 VanDerWaalsContact C-N 3.34Å; L660-A662 PolarHBondContact O-N 3.28Å; L660-I663 HydrophobicContact CD2-CD1 4.4Å; L660-I663 PolarHBondContact O-N 3.42Å; L660-H664 PolarHBondContact O-CD2 3.31Å; L660-H664 PolarHBondContact O-N 3.19Å; L660-H664 VanDerWaalsContact O-N 3.12Å
661	K	98.1	Very high	98.4	Very high	129 Å²	129	47.7 Å²	47.7	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-59	-43.6	174.2	-74.9	176	-179.3	165.1	0	112.1	E657 K659 H664 S665	E657-K661 PolarHBondContact O-N 3.41Å; E657-K661 WeakPolarHBondContact OE1-CE 3.22Å; E657-K661 IonicContact OE1-NZ 2.71Å; E657-K661 PolarHBondContact OE1-NZ 2.88Å; K659-K661 PolarHBondContact O-N 2.87Å; K661-H664 PolarHBondContact O-N 3.11Å; K661-S665 WeakPolarHBondContact O-CB 3.35Å; K661-S665 PolarHBondContact O-N 3.13Å; K661-S665 PolarHBondContact O-OG 2.86Å
662	A	98.3	Very high	98.4	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-40.9	176.1	0	0	0	0	0	112.9	R658 K659 L660 H664 S665 L666 A790 I793	R658-A662 PolarHBondContact O-N 2.75Å; K659-A662 PolarHBondContact O-N 2.97Å; L660-A662 VanDerWaalsContact C-N 3.34Å; L660-A662 PolarHBondContact O-N 3.28Å; A662-H664 VanDerWaalsContact C-N 3.27Å; A662-H664 PolarHBondContact O-N 3.1Å; A662-S665 PolarHBondContact O-N 3.37Å; A662-S665 PolarHBondContact O-OG 3.24Å; A662-S665 VanDerWaalsContact O-OG 3.07Å; A662-L666 PolarHBondContact O-N 3.09Å; A662-A790 HydrophobicContact CB-CB 4Å; A662-I793 HydrophobicContact CB-CB 3.82Å; A662-I793 HydrophobicContact CB-CD1 4.47Å; A662-I793 HydrophobicContact CB-CG2 3.59Å
663	I	98.6	Very high	98.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-40.3	175.6	-72.4	163.1	0	0	0	111.3	L641 L644 Q645 L655 K659 L660 L794	L641-I663 HydrophobicContact CD1-CG2 4.2Å; L644-I663 HydrophobicContact CB-CD1 4.12Å; L644-I663 HydrophobicContact CB-CG1 4.4Å; L644-I663 HydrophobicContact CB-CG2 3.99Å; L644-I663 HydrophobicContact CD1-CD1 4.46Å; Q645-I663 HydrophobicContact CB-CG2 4.27Å; Q645-I663 HydrophobicContact CG-CG2 3.47Å; Q645-I663 VanDerWaalsContact CG-CG2 3.47Å; Q645-I663 PolarHBondContact NE2-O 2.92Å; L655-I663 HydrophobicContact CD1-CD1 4.23Å; K659-I663 HydrophobicContact CG-CD1 4.17Å; K659-I663 VanDerWaalsContact O-CG1 3.3Å; K659-I663 WeakPolarHBondContact O-CG1 3.47Å; K659-I663 PolarHBondContact O-N 3.12Å; L660-I663 HydrophobicContact CD2-CD1 4.4Å; L660-I663 PolarHBondContact O-N 3.42Å; I663-L794 HydrophobicContact CD1-CD1 3.95Å; I663-L794 HydrophobicContact CG1-CD1 3.47Å; I663-L794 VanDerWaalsContact CG1-CD1 3.47Å
664	H	98.4	Very high	98.4	Very high	86 Å²	86	41.6 Å²	41.6	40%	0.398	21%	0.213	S	C	.	.	H	α-helix	trans	-89.1	-14.2	-176.1	-70.3	-66.4	0	0	0	114.8	Q645 L660 K661 A662 K783	Q645-H664 PolarHBondContact O-CE1 3.15Å; L660-H664 PolarHBondContact O-CD2 3.31Å; L660-H664 PolarHBondContact O-N 3.19Å; L660-H664 VanDerWaalsContact O-N 3.12Å; K661-H664 PolarHBondContact O-N 3.11Å; A662-H664 VanDerWaalsContact C-N 3.27Å; A662-H664 PolarHBondContact O-N 3.1Å; H664-K783 PolarHBondContact O-NZ 3.49Å
665	S	98.3	Very high	98.4	Very high	32 Å²	32	36.8 Å²	36.8	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-82.3	-17.7	173.2	69.3	0	0	0	0	113.2	K661 A662 K783 A790	K661-S665 WeakPolarHBondContact O-CB 3.35Å; K661-S665 PolarHBondContact O-N 3.13Å; K661-S665 PolarHBondContact O-OG 2.86Å; A662-S665 PolarHBondContact O-N 3.37Å; A662-S665 PolarHBondContact O-OG 3.24Å; A662-S665 VanDerWaalsContact O-OG 3.07Å; S665-K783 WeakPolarHBondContact O-CB 3.38Å; S665-K783 PolarHBondContact O-N 3.43Å; S665-A790 WeakPolarHBondContact OG-CB 3.24Å
666	L	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.9	168.3	-63.1	-179.5	0	0	0	111.2	L641 Q645 A662 F781 V782 K783 A790 Y791	L641-L666 HydrophobicContact CD1-CB 4.48Å; L641-L666 HydrophobicContact CD2-CB 3.62Å; Q645-L666 PolarHBondContact NE2-O 3.48Å; A662-L666 PolarHBondContact O-N 3.09Å; L666-F781 WeakPolarHBondContact CA-O 3.27Å; L666-V782 HydrophobicContact CD2-CG2 4Å; L666-K783 WeakPolarHBondContact O-CD 3.48Å; L666-A790 HydrophobicContact CD1-CB 4.22Å; L666-A790 HydrophobicContact CD2-CB 3.9Å; L666-A790 HydrophobicContact CG-CB 3.84Å; L666-Y791 HydrophobicContact CD1-CD1 4.35Å; L666-Y791 HydrophobicContact CD1-CD2 4.21Å; L666-Y791 HydrophobicContact CD1-CE1 4.28Å; L666-Y791 HydrophobicContact CD1-CE2 4.17Å; L666-Y791 HydrophobicContact CD1-CG 4.3Å; L666-Y791 HydrophobicContact CD2-CD2 3.94Å; L666-Y791 HydrophobicContact CD2-CE2 3.47Å; L666-Y791 VanDerWaalsContact CD2-CE2 3.47Å; L666-Y791 HydrophobicContact CG-CE2 4.49Å
667	G	98.6	Very high	98.5	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.3	176.2	0	0	0	0	0	111.5	G669 S780 F781	G667-G669 PolarHBondContact O-N 2.89Å; G667-S780 WeakPolarHBondContact O-CA 3.26Å; G667-F781 VanDerWaalsContact CA-CE1 3.49Å; G667-F781 PolarHBondContact N-O 2.87Å; G667-F781 PolarHBondContact O-N 3.33Å; G667-F781 VanDerWaalsContact O-N 3.09Å
668	A	98.6	Very high	98.5	Very high	31 Å²	31	28.2 Å²	28.2	26%	0.256	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	84.9	171.9	0	0	0	0	0	108.8	T642 M777	T642-A668 HydrophobicContact CG2-CB 3.29Å; A668-M777 HydrophobicContact CB-CB 4.08Å; A668-M777 HydrophobicContact CB-CE 4.44Å
669	G	98.5	Very high	98.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	148.5	179.5	0	0	0	0	0	111.6	G560 G667 M777 S778 Y779	G560-G669 CarbonylContact O-C 3.03Å; G560-G669 VanDerWaalsContact O-C 3.29Å; G560-G669 WeakPolarHBondContact O-CA 3.25Å; G667-G669 PolarHBondContact O-N 2.89Å; G669-M777 WeakPolarHBondContact O-CA 3.46Å; G669-M777 WeakPolarHBondContact O-CB 3.12Å; G669-S778 PolarHBondContact O-N 3.13Å; G669-Y779 CarbonylContact C-O 3.53Å; G669-Y779 WeakPolarHBondContact CA-O 3.15Å; G669-Y779 PolarHBondContact N-O 2.73Å; G669-Y779 PolarHBondContact O-N 3.14Å
670	I	98.6	Very high	98.4	Very high	36 Å²	36	29.1 Å²	29.1	19%	0.185	16%	0.156	C	C	.	.			trans	-137.4	137.1	-177.1	-171.1	67.4	0	0	0	110.4	G560 V730 W769	G560-I670 CarbonylContact C-O 3.59Å; G560-I670 PolarHBondContact O-N 3.41Å; I670-V730 HydrophobicContact CG1-CG1 3.97Å; I670-V730 HydrophobicContact CG2-CG1 4Å; I670-W769 HydrophobicContact CD1-CB 3.8Å
671	I	98.6	Very high	98.3	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.062	15%	0.149	C	C	.	.			trans	-138.1	155.7	165	61.1	161.8	0	0	0	107.3	F557 M725 S778 Y779	F557-I671 HydrophobicContact CD2-CD1 3.98Å; F557-I671 HydrophobicContact CD2-CG2 4.22Å; F557-I671 HydrophobicContact CE2-CD1 3.61Å; I671-M725 VanDerWaalsContact CA-O 3.27Å; I671-M725 WeakPolarHBondContact CA-O 3.39Å; I671-M725 WeakPolarHBondContact CB-O 3.31Å; I671-S778 WeakPolarHBondContact CG1-OG 3.46Å; I671-S778 PolarHBondContact N-OG 3.4Å; I671-S778 PolarHBondContact O-OG 2.69Å; I671-Y779 HydrophobicContact CD1-CE1 3.92Å; I671-Y779 WeakPolarHBondContact CD1-OH 3.46Å; I671-Y779 HydrophobicContact CG1-CE1 4.02Å; I671-Y779 WeakPolarHBondContact CG2-OH 3.43Å
672	E	98.6	Very high	98.2	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.014	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.7	169.1	-58.7	-68.9	-174	0	0	109.5	I724 M725 V730 T767 R768 W769 S770	E672-I724 CarbonylContact O-C 3.56Å; E672-I724 WeakPolarHBondContact O-CA 3.46Å; E672-M725 HydrophobicContact CB-CB 4.49Å; E672-M725 HydrophobicContact CB-CE 3.74Å; E672-M725 PolarHBondContact N-O 3.21Å; E672-M725 PolarHBondContact O-N 2.68Å; E672-V730 HydrophobicContact CG-CG1 4.12Å; E672-T767 WeakPolarHBondContact CA-OG1 3.38Å; E672-T767 VanDerWaalsContact CD-O 3.27Å; E672-T767 WeakPolarHBondContact OE2-CB 3.39Å; E672-T767 PolarHBondContact OE2-OG1 2.86Å; E672-R768 VanDerWaalsContact OE1-C 3.29Å; E672-R768 WeakPolarHBondContact OE1-CA 3.43Å; E672-R768 WeakPolarHBondContact OE2-CA 3.4Å; E672-R768 PolarHBondContact OE2-N 2.93Å; E672-W769 VanDerWaalsContact CD-N 3.28Å; E672-W769 PolarHBondContact OE1-N 2.77Å; E672-W769 PolarHBondContact OE2-N 3.41Å; E672-S770 WeakPolarHBondContact OE1-CB 3.33Å; E672-S770 PolarHBondContact OE1-N 3.22Å; E672-S770 PolarHBondContact OE1-OG 2.9Å
673	K	98.7	Very high	98.2	Very high	22 Å²	22	22.5 Å²	22.5	10%	0.096	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.4	177.4	-72.9	-176.6	169	-172.5	0	110.3	G445 G447 M722 S723 I724 V766 T767	G445-K673 PolarHBondContact O-NZ 3Å; G447-K673 PolarHBondContact O-NZ 3.13Å; K673-M722 HydrophobicContact CD-CG 4.39Å; K673-M722 HydrophobicContact CD-SD 3.97Å; K673-M722 HydrophobicContact CG-SD 4.1Å; K673-S723 WeakPolarHBondContact CA-O 3.48Å; K673-I724 HydrophobicContact CG-CG2 4.2Å; K673-V766 CarbonylContact O-C 3.54Å; K673-V766 WeakPolarHBondContact O-CA 3.43Å; K673-T767 HydrophobicContact CB-CG2 3.92Å; K673-T767 PolarHBondContact N-OG1 3.44Å; K673-T767 PolarHBondContact O-N 3.32Å
674	I	98.8	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.1	164.8	-175.7	171.7	0	0	0	108.3	L676 F706 M722 S723 M725 V741 V742 C745 F765 V766	I674-L676 HydrophobicContact CD1-CD1 3.94Å; I674-L676 HydrophobicContact CD1-CD2 4.3Å; I674-L676 HydrophobicContact CD1-CG 4.21Å; I674-L676 HydrophobicContact CG1-CD1 3.75Å; I674-L676 HydrophobicContact CG1-CG 4.14Å; I674-L676 HydrophobicContact CG2-CD1 4.31Å; I674-F706 HydrophobicContact CG2-CD1 3.82Å; I674-F706 HydrophobicContact CG2-CE1 3.66Å; I674-M722 CarbonylContact O-C 3.58Å; I674-M722 VanDerWaalsContact O-CA 3.24Å; I674-M722 WeakPolarHBondContact O-CA 3.43Å; I674-M722 WeakPolarHBondContact O-CG 3.45Å; I674-S723 PolarHBondContact N-O 3.28Å; I674-S723 PolarHBondContact O-N 3.16Å; I674-M725 HydrophobicContact CB-CE 4.29Å; I674-V741 HydrophobicContact CD1-CG1 4.35Å; I674-V742 HydrophobicContact CD1-CB 4.48Å; I674-V742 HydrophobicContact CD1-CG2 3.86Å; I674-C745 HydrophobicContact CD1-CB 3.77Å; I674-F765 WeakPolarHBondContact CA-O 3.4Å; I674-V766 HydrophobicContact CB-CG2 4.45Å; I674-V766 HydrophobicContact CD1-CG2 4.09Å; I674-V766 HydrophobicContact CG1-CG2 4.01Å
675	A	98.8	Very high	97.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.4	170.7	0	0	0	0	0	109.7	L440 V444 L721 M722 Y764 F765	L440-A675 HydrophobicContact CD1-CB 3.71Å; V444-A675 HydrophobicContact CG1-CB 3.89Å; A675-L721 CarbonylContact C-O 3.29Å; A675-L721 WeakPolarHBondContact CA-O 3.08Å; A675-M722 HydrophobicContact CB-CB 4.44Å; A675-Y764 CarbonylContact O-C 3.53Å; A675-Y764 WeakPolarHBondContact O-CA 3.13Å; A675-Y764 VanDerWaalsContact O-CB 3.28Å; A675-Y764 WeakPolarHBondContact O-CB 3.44Å; A675-F765 HydrophobicContact CB-CD1 4Å; A675-F765 HydrophobicContact CB-CE1 3.48Å; A675-F765 VanDerWaalsContact CB-CE1 3.48Å; A675-F765 HydrophobicContact CB-CE2 4.02Å; A675-F765 HydrophobicContact CB-CG 4.49Å; A675-F765 HydrophobicContact CB-CZ 3.49Å; A675-F765 VanDerWaalsContact CB-CZ 3.49Å; A675-F765 PolarHBondContact N-O 3.16Å; A675-F765 PolarHBondContact O-N 2.83Å
676	L	98.8	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127	-175.8	-54	97.4	0	0	0	109.5	I674 F678 V720 L721 V742 L746 P761	I674-L676 HydrophobicContact CD1-CD1 3.94Å; I674-L676 HydrophobicContact CD1-CD2 4.3Å; I674-L676 HydrophobicContact CD1-CG 4.21Å; I674-L676 HydrophobicContact CG1-CD1 3.75Å; I674-L676 HydrophobicContact CG1-CG 4.14Å; I674-L676 HydrophobicContact CG2-CD1 4.31Å; L676-F678 HydrophobicContact CB-CD2 4.39Å; L676-F678 HydrophobicContact CB-CE2 3.59Å; L676-F678 HydrophobicContact CB-CZ 3.74Å; L676-F678 HydrophobicContact CD2-CZ 4.14Å; L676-F678 HydrophobicContact CG-CZ 4.47Å; L676-V720 WeakPolarHBondContact O-CA 3.04Å; L676-L721 PolarHBondContact N-O 3.36Å; L676-L721 PolarHBondContact O-N 3.39Å; L676-V742 HydrophobicContact CD2-CG1 4.11Å; L676-L746 HydrophobicContact CD2-CD2 4.23Å; L676-P761 HydrophobicContact CB-CB 4.21Å; L676-P761 HydrophobicContact CD2-CB 4.2Å; L676-P761 HydrophobicContact CD2-CG 4.21Å
677	Q	98.6	Very high	97.3	Very high	24 Å²	24	25.3 Å²	25.3	11%	0.112	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.3	170.5	-177	-176.4	29.6	0	0	109.3	L440 A719 V720 P761 L762 N763	L440-Q677 HydrophobicContact CB-CB 4.35Å; L440-Q677 HydrophobicContact CD2-CB 4.12Å; L440-Q677 PolarHBondContact O-NE2 2.77Å; Q677-A719 CarbonylContact C-O 3.53Å; Q677-A719 WeakPolarHBondContact CA-O 3.44Å; Q677-V720 HydrophobicContact CB-CG2 4.2Å; Q677-V720 HydrophobicContact CG-CG2 4.13Å; Q677-P761 CarbonylContact O-C 3.59Å; Q677-P761 WeakPolarHBondContact O-CA 3.23Å; Q677-L762 PolarHBondContact O-N 3.43Å; Q677-N763 HydrophobicContact CB-CB 4.29Å; Q677-N763 PolarHBondContact N-O 3.42Å; Q677-N763 PolarHBondContact OE1-ND2 3.36Å
678	F	98.4	Very high	97.1	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.026	17%	0.171	C	C	.	.			trans	-113.2	161.4	179.9	-65	-81.9	0	0	0	112	L676 N680 F682 W683 A719 L721 L746 L749 P759 P761	L676-F678 HydrophobicContact CB-CD2 4.39Å; L676-F678 HydrophobicContact CB-CE2 3.59Å; L676-F678 HydrophobicContact CB-CZ 3.74Å; L676-F678 HydrophobicContact CD2-CZ 4.14Å; L676-F678 HydrophobicContact CG-CZ 4.47Å; F678-N680 VanDerWaalsContact C-N 3.3Å; F678-N680 PolarHBondContact O-N 3.27Å; F678-F682 HydrophobicContact CD1-CD1 4.36Å; F678-F682 AromaticContact CD1-CE1 3.89Å; F678-F682 HydrophobicContact CD1-CE1 3.89Å; F678-F682 AromaticContact CD2-CE1 3.86Å; F678-F682 HydrophobicContact CD2-CE1 3.86Å; F678-F682 AromaticContact CE1-CE1 3.91Å; F678-F682 HydrophobicContact CE1-CE1 3.91Å; F678-F682 AromaticContact CE2-CE1 3.88Å; F678-F682 HydrophobicContact CE2-CE1 3.88Å; F678-F682 HydrophobicContact CE2-CZ 4.5Å; F678-F682 HydrophobicContact CG-CD1 4.25Å; F678-F682 AromaticContact CG-CE1 3.85Å; F678-F682 HydrophobicContact CG-CE1 3.85Å; F678-F682 AromaticContact CZ-CE1 3.9Å; F678-F682 HydrophobicContact CZ-CE1 3.9Å; F678-F682 HydrophobicContact CZ-CZ 4.4Å; F678-W683 HydrophobicContact CD2-CH2 4.37Å; F678-W683 AromaticContact CD2-CZ3 3.82Å; F678-W683 HydrophobicContact CD2-CZ3 3.82Å; F678-W683 HydrophobicContact CE2-CZ3 4.42Å; F678-W683 HydrophobicContact CG-CZ3 4.46Å; F678-A719 HydrophobicContact CB-CB 4Å; F678-A719 PolarHBondContact N-O 3.01Å; F678-L721 HydrophobicContact CE2-CB 4.31Å; F678-L721 HydrophobicContact CE2-CD1 4.19Å; F678-L721 HydrophobicContact CE2-CG 4.41Å; F678-L746 HydrophobicContact CE1-CD2 3.91Å; F678-L746 HydrophobicContact CZ-CD2 4.2Å; F678-L749 HydrophobicContact CE2-CD1 4.46Å; F678-L749 HydrophobicContact CZ-CD1 3.8Å; F678-P759 HydrophobicContact CB-CG 4.41Å; F678-P759 HydrophobicContact CD1-CG 4.04Å; F678-P759 WeakPolarHBondContact CD1-O 3.46Å; F678-P759 WeakPolarHBondContact CE1-O 3.32Å; F678-P761 HydrophobicContact CD1-CB 4.42Å; F678-P761 HydrophobicContact CE1-CB 4.18Å
679	P	97.3	Very high	96.8	Very high	78 Å²	78	32.5 Å²	32.5	51%	0.506	19%	0.186	S	C	.	.	S	Bend	trans	-66	-31.2	173.9	-19	30.9	0	0	0	113.6	P759 L762	P679-P759 HydrophobicContact CG-CB 4.08Å; P679-P759 HydrophobicContact CG-CG 4.44Å; P679-L762 HydrophobicContact CB-CD1 4.39Å; P679-L762 HydrophobicContact CG-CD1 4.29Å; P679-L762 HydrophobicContact CG-CD2 3.95Å; P679-L762 HydrophobicContact CG-CG 3.95Å
680	N	95.9	Very high	96.7	Very high	89 Å²	89	33 Å²	33	48%	0.476	19%	0.191	S	C	.	.	S	Bend	trans	-147	160.9	-179.3	63.7	-3.6	0	0	0	111	F678 F682 A719 P759	F678-N680 VanDerWaalsContact C-N 3.3Å; F678-N680 PolarHBondContact O-N 3.27Å; N680-F682 PolarHBondContact O-N 2.93Å; N680-A719 WeakPolarHBondContact O-CB 3.19Å; N680-P759 WeakPolarHBondContact OD1-CG 3.42Å
681	R	96.8	Very high	96.7	Very high	34 Å²	34	32.2 Å²	32.2	13%	0.128	19%	0.187	C	C	.	.			trans	-82.2	71	178.3	-63	179.5	55.8	84.1	7.8	110.2	W683 D684 D711 G716 Q718 A719	R681-W683 HydrophobicContact CB-CZ2 4.39Å; R681-W683 HydrophobicContact CG-CH2 4.49Å; R681-W683 HydrophobicContact CG-CZ2 4.25Å; R681-W683 PolarHBondContact O-N 3.38Å; R681-W683 VanDerWaalsContact O-N 3.14Å; R681-D684 VanDerWaalsContact CB-OD2 3.22Å; R681-D684 WeakPolarHBondContact CB-OD2 3.48Å; R681-D684 IonicContact CZ-OD1 2.63Å; R681-D684 IonicContact NE-OD1 2.69Å; R681-D684 PolarHBondContact NE-OD1 2.69Å; R681-D684 IonicContact NE-OD2 2.62Å; R681-D684 PolarHBondContact NE-OD2 2.93Å; R681-D684 VanDerWaalsContact NE-OD2 3.12Å; R681-D684 IonicContact NH2-OD1 3.6Å; R681-D684 PolarHBondContact NH2-OD1 2.89Å; R681-D684 PolarHBondContact O-N 2.93Å; R681-D711 IonicContact CZ-OD1 2.68Å; R681-D711 IonicContact CZ-OD2 3.23Å; R681-D711 VanDerWaalsContact CZ-OD2 3.29Å; R681-D711 IonicContact NH1-OD1 2.73Å; R681-D711 PolarHBondContact NH1-OD1 3.29Å; R681-D711 IonicContact NH1-OD2 2.67Å; R681-D711 PolarHBondContact NH1-OD2 3.19Å; R681-D711 VanDerWaalsContact NH1-OD2 3.13Å; R681-D711 IonicContact NH2-OD1 3.22Å; R681-D711 IonicContact NH2-OD2 3Å; R681-D711 PolarHBondContact NH2-OD2 2.9Å; R681-G716 VanDerWaalsContact CD-O 3.29Å; R681-G716 WeakPolarHBondContact CD-O 3.42Å; R681-Q718 WeakPolarHBondContact CD-O 3.49Å; R681-Q718 PolarHBondContact NH1-O 2.88Å; R681-A719 HydrophobicContact CB-CB 4.39Å; R681-A719 HydrophobicContact CG-CB 3.6Å
682	F	97.1	Very high	96.6	Very high	11 Å²	11	33.8 Å²	33.8	5%	0.048	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.9	-174.6	67.5	-95.2	0	0	0	111.9	F678 N680 D684 L721 L749 F753 Q756 V758 P759	F678-F682 HydrophobicContact CD1-CD1 4.36Å; F678-F682 AromaticContact CD1-CE1 3.89Å; F678-F682 HydrophobicContact CD1-CE1 3.89Å; F678-F682 AromaticContact CD2-CE1 3.86Å; F678-F682 HydrophobicContact CD2-CE1 3.86Å; F678-F682 AromaticContact CE1-CE1 3.91Å; F678-F682 HydrophobicContact CE1-CE1 3.91Å; F678-F682 AromaticContact CE2-CE1 3.88Å; F678-F682 HydrophobicContact CE2-CE1 3.88Å; F678-F682 HydrophobicContact CE2-CZ 4.5Å; F678-F682 HydrophobicContact CG-CD1 4.25Å; F678-F682 AromaticContact CG-CE1 3.85Å; F678-F682 HydrophobicContact CG-CE1 3.85Å; F678-F682 AromaticContact CZ-CE1 3.9Å; F678-F682 HydrophobicContact CZ-CE1 3.9Å; F678-F682 HydrophobicContact CZ-CZ 4.4Å; N680-F682 PolarHBondContact O-N 2.93Å; F682-D684 VanDerWaalsContact C-N 3.32Å; F682-D684 PolarHBondContact O-N 3.28Å; F682-L721 HydrophobicContact CE1-CD1 4.5Å; F682-L721 HydrophobicContact CZ-CD1 4.08Å; F682-L749 HydrophobicContact CZ-CD1 4.33Å; F682-L749 HydrophobicContact CZ-CD2 4.28Å; F682-F753 HydrophobicContact CD2-CD1 4.24Å; F682-F753 HydrophobicContact CD2-CD2 4.47Å; F682-F753 HydrophobicContact CD2-CG 4.21Å; F682-F753 HydrophobicContact CE2-CD1 4.27Å; F682-F753 AromaticContact CE2-CD2 3.75Å; F682-F753 HydrophobicContact CE2-CD2 3.75Å; F682-F753 HydrophobicContact CE2-CE1 4.41Å; F682-F753 AromaticContact CE2-CE2 3.93Å; F682-F753 HydrophobicContact CE2-CE2 3.93Å; F682-F753 AromaticContact CE2-CG 3.94Å; F682-F753 HydrophobicContact CE2-CG 3.94Å; F682-F753 HydrophobicContact CE2-CZ 4.26Å; F682-Q756 VanDerWaalsContact C-NE2 3.33Å; F682-Q756 PolarHBondContact O-NE2 2.88Å; F682-V758 HydrophobicContact CD1-CG1 4.4Å; F682-V758 HydrophobicContact CD2-CG1 4.47Å; F682-V758 HydrophobicContact CD2-CG2 4.05Å; F682-V758 HydrophobicContact CE1-CG1 3.92Å; F682-V758 HydrophobicContact CE2-CG1 4.01Å; F682-V758 HydrophobicContact CE2-CG2 3.89Å; F682-V758 HydrophobicContact CZ-CG1 3.72Å; F682-V758 HydrophobicContact CZ-CG2 4.45Å; F682-P759 HydrophobicContact CD1-CG 4.17Å
683	W	96.7	Very high	96.6	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.7	-176	60.5	89.9	0	0	0	115.6	F678 R681 S685 K686 I687 A719 L721 F753	F678-W683 HydrophobicContact CD2-CH2 4.37Å; F678-W683 AromaticContact CD2-CZ3 3.82Å; F678-W683 HydrophobicContact CD2-CZ3 3.82Å; F678-W683 HydrophobicContact CE2-CZ3 4.42Å; F678-W683 HydrophobicContact CG-CZ3 4.46Å; R681-W683 HydrophobicContact CB-CZ2 4.39Å; R681-W683 HydrophobicContact CG-CH2 4.49Å; R681-W683 HydrophobicContact CG-CZ2 4.25Å; R681-W683 PolarHBondContact O-N 3.38Å; R681-W683 VanDerWaalsContact O-N 3.14Å; W683-S685 VanDerWaalsContact C-N 3.3Å; W683-S685 PolarHBondContact O-N 3.42Å; W683-K686 PolarHBondContact O-N 2.72Å; W683-I687 HydrophobicContact CB-CG1 3.79Å; W683-I687 HydrophobicContact CG-CG1 4.4Å; W683-I687 WeakPolarHBondContact O-CB 3.48Å; W683-I687 WeakPolarHBondContact O-CG1 3.24Å; W683-I687 PolarHBondContact O-N 2.76Å; W683-A719 HydrophobicContact CH2-CB 3.77Å; W683-A719 HydrophobicContact CZ3-CB 4.27Å; W683-L721 HydrophobicContact CD2-CD1 4.15Å; W683-L721 HydrophobicContact CD2-CD2 4.03Å; W683-L721 HydrophobicContact CD2-CG 4.2Å; W683-L721 HydrophobicContact CE3-CD1 3.7Å; W683-L721 HydrophobicContact CE3-CD2 4.28Å; W683-L721 HydrophobicContact CE3-CG 3.93Å; W683-L721 HydrophobicContact CH2-CD1 4.34Å; W683-L721 HydrophobicContact CH2-CD2 4.06Å; W683-L721 HydrophobicContact CH2-CG 3.68Å; W683-L721 HydrophobicContact CZ2-CD2 3.82Å; W683-L721 HydrophobicContact CZ2-CG 3.98Å; W683-L721 HydrophobicContact CZ3-CD1 3.82Å; W683-L721 HydrophobicContact CZ3-CD2 4.31Å; W683-L721 HydrophobicContact CZ3-CG 3.67Å; W683-F753 HydrophobicContact CB-CE1 3.66Å; W683-F753 HydrophobicContact CB-CZ 3.58Å
684	D	94.9	Very high	96.6	Very high	67 Å²	67	32.8 Å²	32.8	36%	0.358	19%	0.188	S	C	.	.	H	α-helix	trans	-58.6	-37.6	-170.4	-81.7	-13.4	0	0	0	113.5	R681 F682 K686 Q688	R681-D684 VanDerWaalsContact CB-OD2 3.22Å; R681-D684 WeakPolarHBondContact CB-OD2 3.48Å; R681-D684 IonicContact CZ-OD1 2.63Å; R681-D684 IonicContact NE-OD1 2.69Å; R681-D684 PolarHBondContact NE-OD1 2.69Å; R681-D684 IonicContact NE-OD2 2.62Å; R681-D684 PolarHBondContact NE-OD2 2.93Å; R681-D684 VanDerWaalsContact NE-OD2 3.12Å; R681-D684 IonicContact NH2-OD1 3.6Å; R681-D684 PolarHBondContact NH2-OD1 2.89Å; R681-D684 PolarHBondContact O-N 2.93Å; F682-D684 VanDerWaalsContact C-N 3.32Å; F682-D684 PolarHBondContact O-N 3.28Å; D684-K686 PolarHBondContact O-N 2.81Å; D684-Q688 WeakPolarHBondContact O-CA 3.43Å; D684-Q688 PolarHBondContact O-N 2.79Å
685	S	92.8	Very high	96.6	Very high	79 Å²	79	32.9 Å²	32.9	55%	0.552	19%	0.188	S	C	*	.	H	α-helix	trans	-60.4	-44.7	179.6	52.2	0	0	0	0	112.6	W683 Q756	W683-S685 VanDerWaalsContact C-N 3.3Å; W683-S685 PolarHBondContact O-N 3.42Å; S685-Q756 PolarHBondContact OG-OE1 3Å
686	K	94.6	Very high	96.5	Very high	30 Å²	30	33.1 Å²	33.1	13%	0.13	19%	0.19	C	C	.	.	H	α-helix	trans	-87.1	-42	-174.9	-173.3	177.1	-64.5	-162.5	0	112.1	F480 G484 W683 D684 L752 F753 D755	F480-K686 HydrophobicContact CD1-CD 4Å; F480-K686 HydrophobicContact CE1-CD 3.53Å; F480-K686 HydrophobicContact CE1-CG 3.68Å; F480-K686 HydrophobicContact CZ-CD 4.1Å; F480-K686 HydrophobicContact CZ-CG 3.89Å; G484-K686 PolarHBondContact O-NZ 2.83Å; W683-K686 PolarHBondContact O-N 2.72Å; D684-K686 PolarHBondContact O-N 2.81Å; K686-L752 PolarHBondContact NZ-O 3.05Å; K686-F753 HydrophobicContact CB-CD1 4.38Å; K686-F753 HydrophobicContact CB-CE1 3.94Å; K686-F753 HydrophobicContact CD-CD1 3.98Å; K686-F753 HydrophobicContact CD-CE1 3.88Å; K686-F753 HydrophobicContact CG-CE1 4.38Å; K686-D755 WeakPolarHBondContact CE-OD1 3.31Å; K686-D755 WeakPolarHBondContact CE-OD2 3.31Å; K686-D755 IonicContact NZ-OD1 3.32Å; K686-D755 PolarHBondContact NZ-OD1 2.77Å; K686-D755 IonicContact NZ-OD2 3.83Å
687	I	94.8	Very high	96.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-85.2	-21.3	-173.3	-56.3	-51.6	0	0	0	112.5	F480 W683 G689 A690 F693 F753	F480-I687 HydrophobicContact CD2-CD1 4.28Å; F480-I687 HydrophobicContact CE2-CD1 3.39Å; F480-I687 HydrophobicContact CZ-CD1 3.67Å; W683-I687 HydrophobicContact CB-CG1 3.79Å; W683-I687 HydrophobicContact CG-CG1 4.4Å; W683-I687 WeakPolarHBondContact O-CB 3.48Å; W683-I687 WeakPolarHBondContact O-CG1 3.24Å; W683-I687 PolarHBondContact O-N 2.76Å; I687-G689 PolarHBondContact O-N 2.88Å; I687-G689 VanDerWaalsContact O-N 3.15Å; I687-A690 HydrophobicContact CG2-CB 3.82Å; I687-A690 PolarHBondContact O-N 3.39Å; I687-A690 VanDerWaalsContact O-N 3.14Å; I687-F693 HydrophobicContact CD1-CB 3.77Å; I687-F693 HydrophobicContact CD1-CD1 3.62Å; I687-F693 HydrophobicContact CD1-CD2 4.26Å; I687-F693 HydrophobicContact CD1-CE1 4.24Å; I687-F693 HydrophobicContact CD1-CG 3.63Å; I687-F693 HydrophobicContact CG1-CD1 3.74Å; I687-F693 HydrophobicContact CG1-CE1 4.06Å; I687-F693 HydrophobicContact CG1-CG 4.28Å; I687-F693 HydrophobicContact CG2-CD1 4.12Å; I687-F753 HydrophobicContact CD1-CE1 4.47Å; I687-F753 HydrophobicContact CD1-CZ 4.11Å; I687-F753 HydrophobicContact CG1-CE1 4.28Å; I687-F753 HydrophobicContact CG1-CZ 4.03Å
688	Q	93.6	Very high	96.3	Very high	128 Å²	128	34 Å²	34	60%	0.598	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	38	170	-58	178.3	-21.9	0	0	114	D684	D684-Q688 WeakPolarHBondContact O-CA 3.43Å; D684-Q688 PolarHBondContact O-N 2.79Å
689	G	92.7	Very high	96.1	Very high	57 Å²	57	35.5 Å²	35.5	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	12.9	176.6	0	0	0	0	0	115.6	I687	I687-G689 PolarHBondContact O-N 2.88Å; I687-G689 VanDerWaalsContact O-N 3.15Å
690	A	96	Very high	96	Very high	12 Å²	12	34.5 Å²	34.5	10%	0.099	20%	0.202	C	C	.	.			trans	-64.3	141.4	165.1	0	0	0	0	0	110.4	R476 I687 Y692	R476-A690 HydrophobicContact CB-CB 4.5Å; R476-A690 HydrophobicContact CG-CB 4.4Å; I687-A690 HydrophobicContact CG2-CB 3.82Å; I687-A690 PolarHBondContact O-N 3.39Å; I687-A690 VanDerWaalsContact O-N 3.14Å; A690-Y692 PolarHBondContact O-N 3.1Å
691	D	97.6	Very high	95.9	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.107	21%	0.209	C	C	.	.	S	Bend	trans	-70.4	-19	-176.9	-67.1	-54.8	0	0	0	113.1	H471 L473 G474 D711	H471-D691 IonicContact CD2-OD1 2.78Å; H471-D691 IonicContact CE1-OD1 3.57Å; H471-D691 IonicContact NE2-OD1 3.78Å; H471-D691 PolarHBondContact NE2-OD1 2.93Å; H471-D691 IonicContact NE2-OD2 3.04Å; H471-D691 PolarHBondContact NE2-OD2 3.1Å; L473-D691 WeakPolarHBondContact CA-OD2 3.04Å; L473-D691 HydrophobicContact CD2-CB 3.97Å; G474-D691 PolarHBondContact N-OD2 3.09Å; D691-D711 PolarHBondContact O-N 2.87Å
692	Y	98.1	Very high	95.9	Very high	44 Å²	44	39.9 Å²	39.9	17%	0.173	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	163.2	178.2	36.4	-103	0	0	0	111.9	L473 G474 C477 A690 F709 Y710	L473-Y692 HydrophobicContact CB-CE1 3.88Å; L473-Y692 HydrophobicContact CD1-CE1 4.07Å; L473-Y692 HydrophobicContact CD2-CD1 4.36Å; L473-Y692 HydrophobicContact CD2-CE1 3.93Å; L473-Y692 HydrophobicContact CG-CE1 4.15Å; G474-Y692 VanDerWaalsContact O-CZ 3.31Å; G474-Y692 PolarHBondContact O-OH 3.26Å; C477-Y692 HydrophobicContact CB-CD2 3.72Å; C477-Y692 HydrophobicContact CB-CE2 3.78Å; A690-Y692 PolarHBondContact O-N 3.1Å; Y692-F709 CarbonylContact C-O 3.49Å; Y692-F709 WeakPolarHBondContact CA-O 3.32Å; Y692-F709 WeakPolarHBondContact CB-O 3.49Å; Y692-Y710 AromaticContact CD1-CD1 3.78Å; Y692-Y710 HydrophobicContact CD1-CD1 3.78Å; Y692-Y710 AromaticContact CD1-CE1 3.92Å; Y692-Y710 HydrophobicContact CD1-CE1 3.92Å; Y692-Y710 HydrophobicContact CG-CD1 4.27Å; Y692-Y710 HydrophobicContact CG-CE1 4.36Å
693	F	98.3	Very high	95.9	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.2	173.6	58.2	-88.1	0	0	0	111.3	F480 I687 V708 F709 L721 L749 L752 F753	F480-F693 HydrophobicContact CD2-CB 3.98Å; F480-F693 HydrophobicContact CD2-CD2 4.15Å; F480-F693 HydrophobicContact CD2-CG 4.42Å; F480-F693 HydrophobicContact CE2-CB 3.83Å; F480-F693 HydrophobicContact CE2-CG 4.44Å; I687-F693 HydrophobicContact CD1-CB 3.77Å; I687-F693 HydrophobicContact CD1-CD1 3.62Å; I687-F693 HydrophobicContact CD1-CD2 4.26Å; I687-F693 HydrophobicContact CD1-CE1 4.24Å; I687-F693 HydrophobicContact CD1-CG 3.63Å; I687-F693 HydrophobicContact CG1-CD1 3.74Å; I687-F693 HydrophobicContact CG1-CE1 4.06Å; I687-F693 HydrophobicContact CG1-CG 4.28Å; I687-F693 HydrophobicContact CG2-CD1 4.12Å; F693-V708 WeakPolarHBondContact O-CA 3.45Å; F693-F709 HydrophobicContact CD1-CB 4.11Å; F693-F709 HydrophobicContact CD2-CB 4.08Å; F693-F709 HydrophobicContact CD2-CD2 4.27Å; F693-F709 HydrophobicContact CE1-CB 3.6Å; F693-F709 HydrophobicContact CE1-CG 4.47Å; F693-F709 HydrophobicContact CE2-CB 3.56Å; F693-F709 AromaticContact CE2-CD2 3.62Å; F693-F709 HydrophobicContact CE2-CD2 3.62Å; F693-F709 AromaticContact CE2-CG 3.73Å; F693-F709 HydrophobicContact CE2-CG 3.73Å; F693-F709 HydrophobicContact CG-CB 4.34Å; F693-F709 HydrophobicContact CZ-CB 3.31Å; F693-F709 HydrophobicContact CZ-CD1 4.41Å; F693-F709 HydrophobicContact CZ-CD2 4.1Å; F693-F709 AromaticContact CZ-CG 3.71Å; F693-F709 HydrophobicContact CZ-CG 3.71Å; F693-F709 PolarHBondContact N-O 3.49Å; F693-F709 PolarHBondContact O-N 3.26Å; F693-L721 HydrophobicContact CE1-CD2 4.2Å; F693-L721 HydrophobicContact CZ-CD1 4.3Å; F693-L749 HydrophobicContact CZ-CD2 4.32Å; F693-L752 HydrophobicContact CE2-CD1 4.09Å; F693-F753 HydrophobicContact CE1-CZ 4.4Å; F693-F753 AromaticContact CE2-CE2 3.92Å; F693-F753 HydrophobicContact CE2-CE2 3.92Å; F693-F753 HydrophobicContact CE2-CZ 4.18Å; F693-F753 AromaticContact CZ-CE2 3.84Å; F693-F753 HydrophobicContact CZ-CE2 3.84Å; F693-F753 AromaticContact CZ-CZ 3.92Å; F693-F753 HydrophobicContact CZ-CZ 3.92Å
694	G	98.2	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.4	-178.7	0	0	0	0	0	112.5	D478 F480	D478-G694 PolarHBondContact O-N 3.03Å; F480-G694 PolarHBondContact N-O 3.27Å
695	H	98.4	Very high	96.1	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.3	172.8	164.9	-143.8	0	0	0	108.9	E482 F550 M705 F706 S707 F709 L752	E482-H695 IonicContact OE1-NE2 2.66Å; F550-H695 WeakPolarHBondContact CD2-O 3.32Å; H695-M705 PolarHBondContact ND1-O 2.85Å; H695-F706 VanDerWaalsContact CB-O 3.28Å; H695-F706 WeakPolarHBondContact CB-O 3.29Å; H695-F706 PolarHBondContact ND1-O 3.14Å; H695-F706 VanDerWaalsContact ND1-O 3.16Å; H695-S707 PolarHBondContact N-O 2.88Å; H695-F709 HydrophobicContact CB-CE2 4.34Å; H695-L752 HydrophobicContact CB-CD1 4.1Å
696	I	98	Very high	96.3	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.4	174.3	-70.2	171.9	0	0	0	108.8	L479 F480 Q481 T487 L543 K546 V547	L479-I696 HydrophobicContact CB-CD1 3.83Å; L479-I696 HydrophobicContact CB-CG1 3.97Å; F480-I696 WeakPolarHBondContact O-CB 3.41Å; F480-I696 PolarHBondContact O-N 3.47Å; Q481-I696 HydrophobicContact CG-CB 4.48Å; Q481-I696 HydrophobicContact CG-CD1 3.81Å; T487-I696 HydrophobicContact CG2-CD1 4.4Å; T487-I696 WeakPolarHBondContact OG1-CD1 3.37Å; L543-I696 HydrophobicContact CD1-CD1 4.28Å; K546-I696 HydrophobicContact CB-CG2 3.5Å; K546-I696 VanDerWaalsContact CB-CG2 3.5Å; V547-I696 HydrophobicContact CG2-CD1 3.67Å; V547-I696 HydrophobicContact CG2-CG1 4.35Å
697	P	96.6	Very high	96.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.184	C	C	.	.			trans	-72.8	147.5	-173.1	30.7	-36.8	0	0	0	112.4	K546 Q549 C699 R703	K546-P697 WeakPolarHBondContact CG-O 3.45Å; Q549-P697 HydrophobicContact CB-CG 3.75Å; P697-C699 VanDerWaalsContact C-N 3.33Å; P697-C699 PolarHBondContact O-N 2.9Å; P697-R703 HydrophobicContact CB-CB 4.12Å; P697-R703 HydrophobicContact CG-CB 3.95Å
698	P	94.8	Very high	96.6	Very high	40 Å²	40	33.9 Å²	33.9	26%	0.26	19%	0.186	S	C	.	.	S	Bend	trans	-72.3	-26.4	179.4	28.5	-36	0	0	0	113	E482 K546 K702	E482-P698 WeakPolarHBondContact OE1-CG 3.12Å; K546-P698 VanDerWaalsContact CE-O 3.23Å; K546-P698 WeakPolarHBondContact CE-O 3.29Å; P698-K702 HydrophobicContact CG-CB 4.22Å; P698-K702 HydrophobicContact CG-CD 3.92Å
699	C	94.5	Very high	96.9	Very high	39 Å²	39	27.8 Å²	27.8	26%	0.264	16%	0.157	S	C	.	.	S	Bend	trans	-155.8	162.1	176.4	68.5	0	0	0	0	111.3	P697 E701 K702 R703	P697-C699 VanDerWaalsContact C-N 3.33Å; P697-C699 PolarHBondContact O-N 2.9Å; C699-E701 VanDerWaalsContact C-N 3.28Å; C699-E701 WeakPolarHBondContact CB-OE2 3.39Å; C699-E701 PolarHBondContact O-N 2.91Å; C699-E701 PolarHBondContact SG-OE2 3.15Å; C699-K702 PolarHBondContact O-N 3.46Å; C699-K702 VanDerWaalsContact O-N 3.13Å; C699-R703 PolarHBondContact O-N 3.28Å
700	P	95.2	Very high	97.1	Very high	57 Å²	57	26.2 Å²	26.2	37%	0.37	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-55.4	-38.6	-179	-26.3	35.6	0	0	0	114	Q549 K702 R703	Q549-P700 HydrophobicContact CG-CB 4.37Å; Q549-P700 HydrophobicContact CG-CG 4.17Å; P700-K702 PolarHBondContact O-N 2.97Å; P700-R703 WeakPolarHBondContact O-CB 3.5Å; P700-R703 VanDerWaalsContact O-CG 3.22Å; P700-R703 WeakPolarHBondContact O-CG 3.47Å; P700-R703 PolarHBondContact O-N 3Å
701	E	94.6	Very high	97.2	Very high	134 Å²	134	26.2 Å²	26.2	63%	0.626	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-68.2	-21.1	-177.3	-56.6	73.5	-158.5	0	0	112.6	C699	C699-E701 VanDerWaalsContact C-N 3.28Å; C699-E701 WeakPolarHBondContact CB-OE2 3.39Å; C699-E701 PolarHBondContact O-N 2.91Å; C699-E701 PolarHBondContact SG-OE2 3.15Å
702	K	96.2	Very high	97.2	Very high	102 Å²	102	25.7 Å²	25.7	44%	0.443	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-102	5.9	178.2	-70.2	-170.2	174.8	-168.1	0	113.2	P698 C699 P700 G704 M705	P698-K702 HydrophobicContact CG-CB 4.22Å; P698-K702 HydrophobicContact CG-CD 3.92Å; C699-K702 PolarHBondContact O-N 3.46Å; C699-K702 VanDerWaalsContact O-N 3.13Å; P700-K702 PolarHBondContact O-N 2.97Å; K702-G704 PolarHBondContact O-N 2.98Å; K702-G704 VanDerWaalsContact O-N 3.16Å; K702-M705 VanDerWaalsContact O-CB 3.24Å; K702-M705 WeakPolarHBondContact O-CB 3.35Å; K702-M705 PolarHBondContact O-N 2.74Å
703	R	97.3	Very high	97	Very high	29 Å²	29	24.2 Å²	24.2	11%	0.109	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.5	-171.3	75.7	179.6	-178.5	-158.2	-5.4	115.1	Q549 S553 E556 P697 C699 P700 M705	Q549-R703 HydrophobicContact CB-CB 4.27Å; S553-R703 VanDerWaalsContact CB-C 3.42Å; S553-R703 WeakPolarHBondContact CB-O 3.47Å; S553-R703 PolarHBondContact OG-O 3.41Å; E556-R703 VanDerWaalsContact CD-NE 3.28Å; E556-R703 IonicContact OE1-CZ 2.69Å; E556-R703 IonicContact OE1-NE 3.49Å; E556-R703 PolarHBondContact OE1-NE 3.2Å; E556-R703 IonicContact OE1-NH2 2.94Å; E556-R703 PolarHBondContact OE1-NH2 3.49Å; E556-R703 IonicContact OE2-CZ 2.65Å; E556-R703 IonicContact OE2-NE 2.78Å; E556-R703 PolarHBondContact OE2-NE 3.31Å; E556-R703 IonicContact OE2-NH2 2.91Å; P697-R703 HydrophobicContact CB-CB 4.12Å; P697-R703 HydrophobicContact CG-CB 3.95Å; C699-R703 PolarHBondContact O-N 3.28Å; P700-R703 WeakPolarHBondContact O-CB 3.5Å; P700-R703 VanDerWaalsContact O-CG 3.22Å; P700-R703 WeakPolarHBondContact O-CG 3.47Å; P700-R703 PolarHBondContact O-N 3Å; R703-M705 VanDerWaalsContact C-N 3.31Å
704	G	97.4	Very high	96.2	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.2	178.1	0	0	0	0	0	114.5	K702 F706 M725 S726 A729	K702-G704 PolarHBondContact O-N 2.98Å; K702-G704 VanDerWaalsContact O-N 3.16Å; G704-F706 PolarHBondContact O-N 3.2Å; G704-M725 VanDerWaalsContact O-CA 3.31Å; G704-M725 WeakPolarHBondContact O-CA 3.49Å; G704-S726 WeakPolarHBondContact CA-O 3.41Å; G704-S726 PolarHBondContact O-N 3.4Å; G704-A729 WeakPolarHBondContact O-CB 3.34Å
705	M	97.8	Very high	95.6	Very high	27 Å²	27	32.8 Å²	32.8	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	101.3	-176.6	-163	75.3	83.1	0	0	110.2	H695 K702 R703 S707 M725 A729 A732 V733	H695-M705 PolarHBondContact ND1-O 2.85Å; K702-M705 VanDerWaalsContact O-CB 3.24Å; K702-M705 WeakPolarHBondContact O-CB 3.35Å; K702-M705 PolarHBondContact O-N 2.74Å; R703-M705 VanDerWaalsContact C-N 3.31Å; M705-S707 PolarHBondContact O-N 3.33Å; M705-M725 HydrophobicContact SD-CG 4.43Å; M705-A729 HydrophobicContact CB-CB 4.19Å; M705-A729 HydrophobicContact CE-CB 4.33Å; M705-A729 HydrophobicContact SD-CB 4.07Å; M705-A732 HydrophobicContact CE-CB 4.36Å; M705-V733 HydrophobicContact CE-CG1 3.99Å; M705-V733 HydrophobicContact SD-CG1 3.77Å
706	F	98.2	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.1	49.7	176.8	-42.3	-58.2	0	0	0	113.4	I674 H695 G704 V708 F709 S723 I724 M725 V741 E744 C745 V748	I674-F706 HydrophobicContact CG2-CD1 3.82Å; I674-F706 HydrophobicContact CG2-CE1 3.66Å; H695-F706 VanDerWaalsContact CB-O 3.28Å; H695-F706 WeakPolarHBondContact CB-O 3.29Å; H695-F706 PolarHBondContact ND1-O 3.14Å; H695-F706 VanDerWaalsContact ND1-O 3.16Å; G704-F706 PolarHBondContact O-N 3.2Å; F706-V708 PolarHBondContact O-N 3.11Å; F706-F709 HydrophobicContact CB-CE2 3.89Å; F706-F709 HydrophobicContact CB-CZ 3.67Å; F706-F709 HydrophobicContact CG-CZ 4.39Å; F706-F709 WeakPolarHBondContact O-CE2 3.39Å; F706-S723 WeakPolarHBondContact CA-OG 3.3Å; F706-S723 WeakPolarHBondContact CB-OG 3.38Å; F706-I724 WeakPolarHBondContact CA-O 3.32Å; F706-I724 PolarHBondContact N-O 2.92Å; F706-I724 VanDerWaalsContact N-O 3.08Å; F706-M725 HydrophobicContact CD1-CG 4.01Å; F706-M725 HydrophobicContact CE1-CE 4.28Å; F706-M725 HydrophobicContact CE1-CG 3.68Å; F706-M725 HydrophobicContact CE1-SD 3.67Å; F706-M725 HydrophobicContact CZ-CG 4.39Å; F706-M725 HydrophobicContact CZ-SD 4.17Å; F706-V741 HydrophobicContact CE1-CG1 4.38Å; F706-V741 HydrophobicContact CZ-CG1 4.08Å; F706-E744 HydrophobicContact CE2-CB 4.19Å; F706-C745 HydrophobicContact CD1-CB 4.43Å; F706-C745 HydrophobicContact CD2-CB 4.2Å; F706-C745 HydrophobicContact CE1-CB 4.01Å; F706-C745 VanDerWaalsContact CE2-CA 3.47Å; F706-C745 HydrophobicContact CE2-CB 3.76Å; F706-C745 HydrophobicContact CZ-CB 3.66Å; F706-V748 HydrophobicContact CD2-CB 4.48Å; F706-V748 HydrophobicContact CD2-CG2 4.09Å
707	S	96.9	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-34.2	-172.2	57.5	0	0	0	0	113.7	F550 S553 H695 M705	F550-S707 WeakPolarHBondContact CE2-O 3.3Å; S553-S707 WeakPolarHBondContact OG-CB 3.19Å; H695-S707 PolarHBondContact N-O 2.88Å; M705-S707 PolarHBondContact O-N 3.33Å
708	V	98.5	Very high	94.5	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.3	178.1	-178.6	0	0	0	0	109.5	F550 F693 F706 Y710 S723	F550-V708 HydrophobicContact CE2-CG2 4.01Å; F550-V708 HydrophobicContact CZ-CG2 4.22Å; F693-V708 WeakPolarHBondContact O-CA 3.45Å; F706-V708 PolarHBondContact O-N 3.11Å; V708-Y710 HydrophobicContact CB-CE2 3.95Å; V708-Y710 HydrophobicContact CG1-CD2 4.16Å; V708-Y710 HydrophobicContact CG1-CE1 4.27Å; V708-Y710 HydrophobicContact CG1-CE2 3.66Å; V708-S723 WeakPolarHBondContact O-CA 3.16Å; V708-S723 WeakPolarHBondContact O-CB 3.44Å; V708-S723 PolarHBondContact O-OG 3.23Å
709	F	98.7	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.7	171.9	-72.5	-94.1	0	0	0	109.6	Y692 F693 H695 F706 L721 M722 V748 L749 L752	Y692-F709 CarbonylContact C-O 3.49Å; Y692-F709 WeakPolarHBondContact CA-O 3.32Å; Y692-F709 WeakPolarHBondContact CB-O 3.49Å; F693-F709 HydrophobicContact CD1-CB 4.11Å; F693-F709 HydrophobicContact CD2-CB 4.08Å; F693-F709 HydrophobicContact CD2-CD2 4.27Å; F693-F709 HydrophobicContact CE1-CB 3.6Å; F693-F709 HydrophobicContact CE1-CG 4.47Å; F693-F709 HydrophobicContact CE2-CB 3.56Å; F693-F709 AromaticContact CE2-CD2 3.62Å; F693-F709 HydrophobicContact CE2-CD2 3.62Å; F693-F709 AromaticContact CE2-CG 3.73Å; F693-F709 HydrophobicContact CE2-CG 3.73Å; F693-F709 HydrophobicContact CG-CB 4.34Å; F693-F709 HydrophobicContact CZ-CB 3.31Å; F693-F709 HydrophobicContact CZ-CD1 4.41Å; F693-F709 HydrophobicContact CZ-CD2 4.1Å; F693-F709 AromaticContact CZ-CG 3.71Å; F693-F709 HydrophobicContact CZ-CG 3.71Å; F693-F709 PolarHBondContact N-O 3.49Å; F693-F709 PolarHBondContact O-N 3.26Å; H695-F709 HydrophobicContact CB-CE2 4.34Å; F706-F709 HydrophobicContact CB-CE2 3.89Å; F706-F709 HydrophobicContact CB-CZ 3.67Å; F706-F709 HydrophobicContact CG-CZ 4.39Å; F706-F709 WeakPolarHBondContact O-CE2 3.39Å; F709-L721 HydrophobicContact CD1-CD1 4.39Å; F709-M722 CarbonylContact C-O 3.59Å; F709-M722 WeakPolarHBondContact CA-O 3.43Å; F709-V748 HydrophobicContact CE2-CG1 4.21Å; F709-V748 HydrophobicContact CZ-CG1 4.27Å; F709-L749 HydrophobicContact CD1-CD2 3.9Å; F709-L749 HydrophobicContact CE1-CD1 4.1Å; F709-L749 HydrophobicContact CE1-CD2 3.6Å; F709-L749 HydrophobicContact CE1-CG 3.81Å; F709-L749 HydrophobicContact CE2-CD2 4.34Å; F709-L749 HydrophobicContact CG-CD2 4.4Å; F709-L749 HydrophobicContact CZ-CD2 3.83Å; F709-L749 HydrophobicContact CZ-CG 3.98Å; F709-L752 HydrophobicContact CD2-CD1 4.42Å; F709-L752 HydrophobicContact CE2-CD1 4.07Å
710	Y	98.6	Very high	94.8	Very high	25 Å²	25	41 Å²	41	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.1	179.9	-61.8	-96.1	0	0	0	109.9	I450 Y692 V708 L721 M722	I450-Y710 HydrophobicContact CD1-CE1 4.03Å; Y692-Y710 AromaticContact CD1-CD1 3.78Å; Y692-Y710 HydrophobicContact CD1-CD1 3.78Å; Y692-Y710 AromaticContact CD1-CE1 3.92Å; Y692-Y710 HydrophobicContact CD1-CE1 3.92Å; Y692-Y710 HydrophobicContact CG-CD1 4.27Å; Y692-Y710 HydrophobicContact CG-CE1 4.36Å; V708-Y710 HydrophobicContact CB-CE2 3.95Å; V708-Y710 HydrophobicContact CG1-CD2 4.16Å; V708-Y710 HydrophobicContact CG1-CE1 4.27Å; V708-Y710 HydrophobicContact CG1-CE2 3.66Å; Y710-L721 WeakPolarHBondContact O-CA 3.44Å; Y710-M722 HydrophobicContact CD2-CE 3.41Å; Y710-M722 VanDerWaalsContact CD2-CE 3.41Å; Y710-M722 HydrophobicContact CD2-SD 3.99Å; Y710-M722 HydrophobicContact CE2-CE 4.05Å; Y710-M722 HydrophobicContact CG-CE 3.69Å; Y710-M722 PolarHBondContact N-O 3.2Å; Y710-M722 PolarHBondContact O-N 3.41Å
711	D	98.1	Very high	95	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.064	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.4	166.2	-178.7	6.1	0	0	0	109.8	R681 D691 D713	R681-D711 IonicContact CZ-OD1 2.68Å; R681-D711 IonicContact CZ-OD2 3.23Å; R681-D711 VanDerWaalsContact CZ-OD2 3.29Å; R681-D711 IonicContact NH1-OD1 2.73Å; R681-D711 PolarHBondContact NH1-OD1 3.29Å; R681-D711 IonicContact NH1-OD2 2.67Å; R681-D711 PolarHBondContact NH1-OD2 3.19Å; R681-D711 VanDerWaalsContact NH1-OD2 3.13Å; R681-D711 IonicContact NH2-OD1 3.22Å; R681-D711 IonicContact NH2-OD2 3Å; R681-D711 PolarHBondContact NH2-OD2 2.9Å; D691-D711 PolarHBondContact O-N 2.87Å; D711-D713 PolarHBondContact OD1-N 3.43Å
712	L	96.8	Very high	95.2	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.042	16%	0.162	C	C	.	.	S	Bend	trans	-95.5	2.6	-174.8	-62.7	-169.6	0	0	0	114.2	V442 V444 L586 V720 M722	V442-L712 HydrophobicContact CG2-CB 4.2Å; V444-L712 HydrophobicContact CB-CD1 3.89Å; V444-L712 HydrophobicContact CG1-CD1 3.31Å; V444-L712 HydrophobicContact CG2-CD1 3.48Å; V444-L712 VanDerWaalsContact CG2-CD1 3.48Å; L586-L712 HydrophobicContact CD1-CD2 4.35Å; L586-L712 HydrophobicContact CD2-CD2 4.31Å; L712-V720 HydrophobicContact CB-CB 4.42Å; L712-V720 HydrophobicContact CB-CG1 4.32Å; L712-V720 HydrophobicContact CD1-CG1 4.2Å; L712-V720 PolarHBondContact N-O 2.98Å; L712-V720 VanDerWaalsContact N-O 3.08Å; L712-M722 HydrophobicContact CD1-CB 3.56Å; L712-M722 HydrophobicContact CD1-CG 4.41Å; L712-M722 HydrophobicContact CD2-CB 4.29Å; L712-M722 HydrophobicContact CD2-CE 4.48Å; L712-M722 HydrophobicContact CG-CB 3.97Å
713	D	93.9	Very high	95.3	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.07	14%	0.141	C	C	.	.			trans	-124.3	89	169.3	-172.1	18.8	0	0	0	112.7	V442 D711 Q715 G716 K717 Q718	V442-D713 HydrophobicContact CG1-CB 4.08Å; D711-D713 PolarHBondContact OD1-N 3.43Å; D713-Q715 PolarHBondContact O-N 3.13Å; D713-Q715 WeakPolarHBondContact OD1-CB 3.37Å; D713-Q715 PolarHBondContact OD1-N 3.27Å; D713-Q715 VanDerWaalsContact OD1-N 3.15Å; D713-G716 PolarHBondContact O-N 3.35Å; D713-K717 VanDerWaalsContact OD2-CA 3.29Å; D713-K717 WeakPolarHBondContact OD2-CA 3.39Å; D713-K717 WeakPolarHBondContact OD2-CB 3.45Å; D713-K717 PolarHBondContact OD2-N 2.79Å; D713-Q718 HydrophobicContact CB-CB 4.01Å; D713-Q718 PolarHBondContact OD2-N 3.05Å
714	P	81.4	Confident	95.3	Very high	45 Å²	45	26 Å²	26	29%	0.292	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-13.4	175.4	-25.3	34.3	0	0	0	115	H471 L586 T588	H471-P714 HydrophobicContact CB-CG 3.99Å; H471-P714 WeakPolarHBondContact CD2-CG 3.25Å; H471-P714 VanDerWaalsContact CG-CG 3.46Å; L586-P714 HydrophobicContact CD2-CG 4.3Å; T588-P714 HydrophobicContact CG2-CG 4.29Å
715	Q	86.1	Confident	95.4	Very high	140 Å²	140	25.9 Å²	25.9	65%	0.654	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.3	176.7	-61.3	176	47.1	0	0	113.2	D713 K717	D713-Q715 PolarHBondContact O-N 3.13Å; D713-Q715 WeakPolarHBondContact OD1-CB 3.37Å; D713-Q715 PolarHBondContact OD1-N 3.27Å; D713-Q715 VanDerWaalsContact OD1-N 3.15Å; Q715-K717 VanDerWaalsContact C-N 3.3Å; Q715-K717 HydrophobicContact CB-CD 4.23Å; Q715-K717 HydrophobicContact CB-CG 4.24Å; Q715-K717 PolarHBondContact O-N 3.08Å
716	G	86.8	Confident	95.4	Very high	37 Å²	37	24.6 Å²	24.6	38%	0.381	13%	0.128	S	C	.	.	S	Bend	trans	67.8	22.1	179	0	0	0	0	0	115	R681 D713	R681-G716 VanDerWaalsContact CD-O 3.29Å; R681-G716 WeakPolarHBondContact CD-O 3.42Å; D713-G716 PolarHBondContact O-N 3.35Å
717	K	87.9	Confident	95.3	Very high	146 Å²	146	25.1 Å²	25.1	64%	0.635	13%	0.133	S	C	*	.	S	Bend	trans	-95.1	-30.9	-177.4	-65	174.4	179.9	164.4	0	113	D713 Q715	D713-K717 VanDerWaalsContact OD2-CA 3.29Å; D713-K717 WeakPolarHBondContact OD2-CA 3.39Å; D713-K717 WeakPolarHBondContact OD2-CB 3.45Å; D713-K717 PolarHBondContact OD2-N 2.79Å; Q715-K717 VanDerWaalsContact C-N 3.3Å; Q715-K717 HydrophobicContact CB-CD 4.23Å; Q715-K717 HydrophobicContact CB-CG 4.24Å; Q715-K717 PolarHBondContact O-N 3.08Å
718	Q	95	Very high	95.2	Very high	71 Å²	71	29.3 Å²	29.3	33%	0.332	16%	0.156	S	C	.	.	S	Bend	trans	-114	149.8	179.9	-60.4	-63.4	-33.1	0	0	109.2	V442 R681 D713	V442-Q718 HydrophobicContact CG1-CB 3.72Å; V442-Q718 HydrophobicContact CG1-CG 3.64Å; R681-Q718 WeakPolarHBondContact CD-O 3.49Å; R681-Q718 PolarHBondContact NH1-O 2.88Å; D713-Q718 HydrophobicContact CB-CB 4.01Å; D713-Q718 PolarHBondContact OD2-N 3.05Å
719	A	97.5	Very high	95.2	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	16%	0.155	C	C	.	.			trans	-107.1	82.8	176.9	0	0	0	0	0	109	Q677 F678 N680 R681 W683	Q677-A719 CarbonylContact C-O 3.53Å; Q677-A719 WeakPolarHBondContact CA-O 3.44Å; F678-A719 HydrophobicContact CB-CB 4Å; F678-A719 PolarHBondContact N-O 3.01Å; N680-A719 WeakPolarHBondContact O-CB 3.19Å; R681-A719 HydrophobicContact CB-CB 4.39Å; R681-A719 HydrophobicContact CG-CB 3.6Å; W683-A719 HydrophobicContact CH2-CB 3.77Å; W683-A719 HydrophobicContact CZ3-CB 4.27Å
720	V	98.4	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.4	177.1	-177	0	0	0	0	110.2	L440 V442 V444 L676 Q677 L712	L440-V720 HydrophobicContact CB-CG1 4.45Å; L440-V720 HydrophobicContact CB-CG2 4.22Å; L440-V720 HydrophobicContact CD1-CG1 4.15Å; L440-V720 WeakPolarHBondContact O-CG2 3.45Å; V442-V720 HydrophobicContact CG2-CB 3.99Å; V442-V720 HydrophobicContact CG2-CG1 4.22Å; V442-V720 HydrophobicContact CG2-CG2 3.92Å; V444-V720 HydrophobicContact CG2-CG1 3.97Å; L676-V720 WeakPolarHBondContact O-CA 3.04Å; Q677-V720 HydrophobicContact CB-CG2 4.2Å; Q677-V720 HydrophobicContact CG-CG2 4.13Å; L712-V720 HydrophobicContact CB-CB 4.42Å; L712-V720 HydrophobicContact CB-CG1 4.32Å; L712-V720 HydrophobicContact CD1-CG1 4.2Å; L712-V720 PolarHBondContact N-O 2.98Å; L712-V720 VanDerWaalsContact N-O 3.08Å
721	L	98.6	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146	170	-69.5	177.2	0	0	0	110.3	A675 L676 F678 F682 W683 F693 F709 Y710 L749	A675-L721 CarbonylContact C-O 3.29Å; A675-L721 WeakPolarHBondContact CA-O 3.08Å; L676-L721 PolarHBondContact N-O 3.36Å; L676-L721 PolarHBondContact O-N 3.39Å; F678-L721 HydrophobicContact CE2-CB 4.31Å; F678-L721 HydrophobicContact CE2-CD1 4.19Å; F678-L721 HydrophobicContact CE2-CG 4.41Å; F682-L721 HydrophobicContact CE1-CD1 4.5Å; F682-L721 HydrophobicContact CZ-CD1 4.08Å; W683-L721 HydrophobicContact CD2-CD1 4.15Å; W683-L721 HydrophobicContact CD2-CD2 4.03Å; W683-L721 HydrophobicContact CD2-CG 4.2Å; W683-L721 HydrophobicContact CE3-CD1 3.7Å; W683-L721 HydrophobicContact CE3-CD2 4.28Å; W683-L721 HydrophobicContact CE3-CG 3.93Å; W683-L721 HydrophobicContact CH2-CD1 4.34Å; W683-L721 HydrophobicContact CH2-CD2 4.06Å; W683-L721 HydrophobicContact CH2-CG 3.68Å; W683-L721 HydrophobicContact CZ2-CD2 3.82Å; W683-L721 HydrophobicContact CZ2-CG 3.98Å; W683-L721 HydrophobicContact CZ3-CD1 3.82Å; W683-L721 HydrophobicContact CZ3-CD2 4.31Å; W683-L721 HydrophobicContact CZ3-CG 3.67Å; F693-L721 HydrophobicContact CE1-CD2 4.2Å; F693-L721 HydrophobicContact CZ-CD1 4.3Å; F709-L721 HydrophobicContact CD1-CD1 4.39Å; Y710-L721 WeakPolarHBondContact O-CA 3.44Å; L721-L749 HydrophobicContact CD1-CD2 4.12Å
722	M	98.7	Very high	94.7	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.8	167.4	177.3	-81.7	-64.8	0	0	110.1	K673 I674 A675 F709 Y710 L712 I724	K673-M722 HydrophobicContact CD-CG 4.39Å; K673-M722 HydrophobicContact CD-SD 3.97Å; K673-M722 HydrophobicContact CG-SD 4.1Å; I674-M722 CarbonylContact O-C 3.58Å; I674-M722 VanDerWaalsContact O-CA 3.24Å; I674-M722 WeakPolarHBondContact O-CA 3.43Å; I674-M722 WeakPolarHBondContact O-CG 3.45Å; A675-M722 HydrophobicContact CB-CB 4.44Å; F709-M722 CarbonylContact C-O 3.59Å; F709-M722 WeakPolarHBondContact CA-O 3.43Å; Y710-M722 HydrophobicContact CD2-CE 3.41Å; Y710-M722 VanDerWaalsContact CD2-CE 3.41Å; Y710-M722 HydrophobicContact CD2-SD 3.99Å; Y710-M722 HydrophobicContact CE2-CE 4.05Å; Y710-M722 HydrophobicContact CG-CE 3.69Å; Y710-M722 PolarHBondContact N-O 3.2Å; Y710-M722 PolarHBondContact O-N 3.41Å; L712-M722 HydrophobicContact CD1-CB 3.56Å; L712-M722 HydrophobicContact CD1-CG 4.41Å; L712-M722 HydrophobicContact CD2-CB 4.29Å; L712-M722 HydrophobicContact CD2-CE 4.48Å; L712-M722 HydrophobicContact CG-CB 3.97Å; M722-I724 HydrophobicContact SD-CG2 4.06Å
723	S	98.7	Very high	94.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	170.6	172.3	-164.2	0	0	0	0	111.2	K673 I674 F706 V708	K673-S723 WeakPolarHBondContact CA-O 3.48Å; I674-S723 PolarHBondContact N-O 3.28Å; I674-S723 PolarHBondContact O-N 3.16Å; F706-S723 WeakPolarHBondContact CA-OG 3.3Å; F706-S723 WeakPolarHBondContact CB-OG 3.38Å; V708-S723 WeakPolarHBondContact O-CA 3.16Å; V708-S723 WeakPolarHBondContact O-CB 3.44Å; V708-S723 PolarHBondContact O-OG 3.23Å
724	I	97.9	Very high	94.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.3	-171.2	52.5	165.6	0	0	0	111	F557 E672 K673 F706 M722	F557-I724 HydrophobicContact CB-CD1 3.94Å; F557-I724 HydrophobicContact CD1-CD1 4.03Å; F557-I724 HydrophobicContact CD2-CB 4.42Å; F557-I724 HydrophobicContact CD2-CD1 3.25Å; F557-I724 HydrophobicContact CD2-CG1 4.41Å; F557-I724 HydrophobicContact CD2-CG2 4.44Å; F557-I724 HydrophobicContact CE1-CD1 4.37Å; F557-I724 HydrophobicContact CE2-CB 4.49Å; F557-I724 HydrophobicContact CE2-CD1 3.64Å; F557-I724 HydrophobicContact CE2-CG2 4.02Å; F557-I724 HydrophobicContact CG-CD1 3.46Å; F557-I724 VanDerWaalsContact CG-CD1 3.46Å; F557-I724 HydrophobicContact CZ-CD1 4.19Å; E672-I724 CarbonylContact O-C 3.56Å; E672-I724 WeakPolarHBondContact O-CA 3.46Å; K673-I724 HydrophobicContact CG-CG2 4.2Å; F706-I724 WeakPolarHBondContact CA-O 3.32Å; F706-I724 PolarHBondContact N-O 2.92Å; F706-I724 VanDerWaalsContact N-O 3.08Å; M722-I724 HydrophobicContact SD-CG2 4.06Å
725	M	98.3	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.8	168.7	-66	156.2	-75.6	0	0	108.3	I671 E672 I674 G704 M705 F706 A729 V730 V733 V741 V766	I671-M725 VanDerWaalsContact CA-O 3.27Å; I671-M725 WeakPolarHBondContact CA-O 3.39Å; I671-M725 WeakPolarHBondContact CB-O 3.31Å; E672-M725 HydrophobicContact CB-CB 4.49Å; E672-M725 HydrophobicContact CB-CE 3.74Å; E672-M725 PolarHBondContact N-O 3.21Å; E672-M725 PolarHBondContact O-N 2.68Å; I674-M725 HydrophobicContact CB-CE 4.29Å; G704-M725 VanDerWaalsContact O-CA 3.31Å; G704-M725 WeakPolarHBondContact O-CA 3.49Å; M705-M725 HydrophobicContact SD-CG 4.43Å; F706-M725 HydrophobicContact CD1-CG 4.01Å; F706-M725 HydrophobicContact CE1-CE 4.28Å; F706-M725 HydrophobicContact CE1-CG 3.68Å; F706-M725 HydrophobicContact CE1-SD 3.67Å; F706-M725 HydrophobicContact CZ-CG 4.39Å; F706-M725 HydrophobicContact CZ-SD 4.17Å; M725-A729 HydrophobicContact CB-CB 4.46Å; M725-V730 HydrophobicContact CB-CG2 4.47Å; M725-V730 VanDerWaalsContact O-CG2 3.27Å; M725-V730 WeakPolarHBondContact O-CG2 3.22Å; M725-V733 HydrophobicContact SD-CB 4.18Å; M725-V733 HydrophobicContact SD-CG1 3.84Å; M725-V733 HydrophobicContact SD-CG2 3.64Å; M725-V741 HydrophobicContact CE-CG1 4.3Å; M725-V741 HydrophobicContact SD-CG1 3.81Å; M725-V766 HydrophobicContact CE-CG1 4.27Å
726	S	97.4	Very high	95.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.			trans	-135.4	169.5	-177.7	62.6	0	0	0	0	111.8	G704 D728 A729	G704-S726 WeakPolarHBondContact CA-O 3.41Å; G704-S726 PolarHBondContact O-N 3.4Å; S726-D728 PolarHBondContact O-N 2.6Å; S726-A729 VanDerWaalsContact O-CB 3.31Å; S726-A729 WeakPolarHBondContact O-CB 3.48Å; S726-A729 PolarHBondContact O-N 3.16Å; S726-A729 VanDerWaalsContact O-N 3.15Å
727	G	96.9	Very high	95.9	Very high	10 Å²	10	40.6 Å²	40.6	10%	0.103	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-135.7	178	0	0	0	0	0	112.5	A729 V730	G727-A729 PolarHBondContact O-N 2.8Å; G727-V730 PolarHBondContact O-N 3.24Å
728	D	96	Very high	96.4	Very high	89 Å²	89	36.6 Å²	36.6	48%	0.476	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-24	-179.7	-68.4	-41.5	0	0	0	113.6	T562 S726 V730 S731 A732	T562-D728 VanDerWaalsContact CG2-OD1 3.31Å; T562-D728 WeakPolarHBondContact CG2-OD1 3.42Å; S726-D728 PolarHBondContact O-N 2.6Å; D728-V730 VanDerWaalsContact C-N 3.26Å; D728-V730 PolarHBondContact O-N 3.09Å; D728-S731 PolarHBondContact O-N 3.35Å; D728-A732 PolarHBondContact O-N 3.01Å
729	A	96.8	Very high	96.6	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-32.5	-178.9	0	0	0	0	0	112.1	G704 M705 M725 S726 G727 S731 A732 V733	G704-A729 WeakPolarHBondContact O-CB 3.34Å; M705-A729 HydrophobicContact CB-CB 4.19Å; M705-A729 HydrophobicContact CE-CB 4.33Å; M705-A729 HydrophobicContact SD-CB 4.07Å; M725-A729 HydrophobicContact CB-CB 4.46Å; S726-A729 VanDerWaalsContact O-CB 3.31Å; S726-A729 WeakPolarHBondContact O-CB 3.48Å; S726-A729 PolarHBondContact O-N 3.16Å; S726-A729 VanDerWaalsContact O-N 3.15Å; G727-A729 PolarHBondContact O-N 2.8Å; A729-S731 VanDerWaalsContact C-N 3.32Å; A729-S731 PolarHBondContact O-N 3.13Å; A729-A732 PolarHBondContact O-N 3.02Å; A729-V733 WeakPolarHBondContact O-CG2 3.49Å; A729-V733 PolarHBondContact O-N 2.55Å
730	V	96.5	Very high	96.6	Very high	9 Å²	9	39 Å²	39	6%	0.055	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-42.2	177.2	178.9	0	0	0	0	111.2	I670 E672 M725 G727 D728 G734	I670-V730 HydrophobicContact CG1-CG1 3.97Å; I670-V730 HydrophobicContact CG2-CG1 4Å; E672-V730 HydrophobicContact CG-CG1 4.12Å; M725-V730 HydrophobicContact CB-CG2 4.47Å; M725-V730 VanDerWaalsContact O-CG2 3.27Å; M725-V730 WeakPolarHBondContact O-CG2 3.22Å; G727-V730 PolarHBondContact O-N 3.24Å; D728-V730 VanDerWaalsContact C-N 3.26Å; D728-V730 PolarHBondContact O-N 3.09Å; V730-G734 PolarHBondContact O-N 3.18Å
731	S	94.1	Very high	96.6	Very high	95 Å²	95	39 Å²	39	66%	0.664	23%	0.227	S	C	*	.	H	α-helix	trans	-68.6	-42	176	-60.6	0	0	0	0	111	D728 A729 V733 G734	D728-S731 PolarHBondContact O-N 3.35Å; A729-S731 VanDerWaalsContact C-N 3.32Å; A729-S731 PolarHBondContact O-N 3.13Å; S731-V733 VanDerWaalsContact C-N 3.33Å; S731-V733 PolarHBondContact O-N 3.34Å; S731-G734 PolarHBondContact O-N 3.19Å; S731-G734 VanDerWaalsContact O-N 3.09Å
732	A	94.1	Very high	96.6	Very high	62 Å²	62	39.3 Å²	39.3	51%	0.512	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-37.9	-179.7	0	0	0	0	0	113	M705 D728 A729 G734	M705-A732 HydrophobicContact CE-CB 4.36Å; D728-A732 PolarHBondContact O-N 3.01Å; A729-A732 PolarHBondContact O-N 3.02Å; A732-G734 VanDerWaalsContact C-N 3.35Å
733	V	94.1	Very high	96.6	Very high	1 Å²	1	43 Å²	43	1%	0.006	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.8	176.6	-57.2	0	0	0	0	113.6	M705 M725 A729 S731 D735 L736 V741 R768	M705-V733 HydrophobicContact CE-CG1 3.99Å; M705-V733 HydrophobicContact SD-CG1 3.77Å; M725-V733 HydrophobicContact SD-CB 4.18Å; M725-V733 HydrophobicContact SD-CG1 3.84Å; M725-V733 HydrophobicContact SD-CG2 3.64Å; A729-V733 WeakPolarHBondContact O-CG2 3.49Å; A729-V733 PolarHBondContact O-N 2.55Å; S731-V733 VanDerWaalsContact C-N 3.33Å; S731-V733 PolarHBondContact O-N 3.34Å; V733-D735 VanDerWaalsContact C-N 3.29Å; V733-D735 PolarHBondContact O-N 3Å; V733-L736 HydrophobicContact CB-CD1 4.5Å; V733-L736 HydrophobicContact CG1-CD1 4.43Å; V733-L736 PolarHBondContact O-N 3.35Å; V733-V741 HydrophobicContact CB-CG2 3.96Å; V733-V741 HydrophobicContact CG1-CG1 4.42Å; V733-V741 HydrophobicContact CG1-CG2 4.33Å; V733-R768 PolarHBondContact O-NH1 3.45Å
734	G	91.7	Very high	96.6	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.3	-169.9	0	0	0	0	0	113.5	V730 S731 A732 K771	V730-G734 PolarHBondContact O-N 3.18Å; S731-G734 PolarHBondContact O-N 3.19Å; S731-G734 VanDerWaalsContact O-N 3.09Å; A732-G734 VanDerWaalsContact C-N 3.35Å; G734-K771 WeakPolarHBondContact O-CE 3.37Å; G734-K771 PolarHBondContact O-NZ 3.05Å
735	D	92.1	Very high	96.6	Very high	152 Å²	152	45.9 Å²	45.9	81%	0.813	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-7	-176.9	-66.5	-34	0	0	0	114.1	V733	V733-D735 VanDerWaalsContact C-N 3.29Å; V733-D735 PolarHBondContact O-N 3Å
736	L	96.9	Very high	96.6	Very high	55 Å²	55	46 Å²	46	29%	0.288	26%	0.262	S	S	.	.	S	Bend	trans	-73.3	147.4	176.4	-60.8	-176.2	0	0	0	111.3	V733 E740 V741 R768	V733-L736 HydrophobicContact CB-CD1 4.5Å; V733-L736 HydrophobicContact CG1-CD1 4.43Å; V733-L736 PolarHBondContact O-N 3.35Å; L736-E740 WeakPolarHBondContact CA-OE2 3.35Å; L736-E740 HydrophobicContact CB-CB 4.1Å; L736-V741 HydrophobicContact CB-CG2 3.85Å; L736-V741 HydrophobicContact CD1-CG2 4.32Å; L736-R768 PolarHBondContact O-NH2 3.05Å
737	E	97.4	Very high	96.6	Very high	136 Å²	136	51.2 Å²	51.2	64%	0.636	29%	0.285	S	S	*	.			trans	-68.3	156.2	166.2	-64.4	-167.7	164.1	0	0	110.9	S739 E740 V741	E737-S739 PolarHBondContact O-N 3.36Å; E737-E740 HydrophobicContact CB-CG 4.3Å; E737-E740 PolarHBondContact N-OE2 3.34Å; E737-E740 WeakPolarHBondContact O-CB 3.43Å; E737-E740 PolarHBondContact O-N 3.43Å; E737-V741 PolarHBondContact O-N 3.06Å; E737-V741 VanDerWaalsContact O-N 3.17Å
738	D	98.1	Very high	96.7	Very high	61 Å²	61	51.4 Å²	51.4	33%	0.326	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-32.9	-176.5	-68	-5.7	0	0	0	112.3	V741 V742 Y764 V766 R768	D738-V741 PolarHBondContact O-N 2.97Å; D738-V742 VanDerWaalsContact O-CG2 3.28Å; D738-V742 WeakPolarHBondContact O-CG2 3.35Å; D738-V742 PolarHBondContact O-N 3.26Å; D738-Y764 HydrophobicContact CB-CE2 3.96Å; D738-V766 HydrophobicContact CB-CB 4.15Å; D738-V766 HydrophobicContact CB-CG2 4.02Å; D738-R768 IonicContact OD1-CZ 2.83Å; D738-R768 VanDerWaalsContact OD1-CZ 3.32Å; D738-R768 IonicContact OD1-NE 2.75Å; D738-R768 PolarHBondContact OD1-NE 3.38Å; D738-R768 IonicContact OD1-NH2 2.74Å; D738-R768 PolarHBondContact OD1-NH2 3.19Å
739	S	98	Very high	96.8	Very high	44 Å²	44	47.1 Å²	47.1	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-37.2	174	46	0	0	0	0	113	E737 V741 V742 D743	E737-S739 PolarHBondContact O-N 3.36Å; S739-V741 VanDerWaalsContact C-N 3.35Å; S739-V742 WeakPolarHBondContact O-CB 3.48Å; S739-V742 PolarHBondContact O-N 3.21Å; S739-D743 PolarHBondContact O-N 3.22Å
740	E	98.3	Very high	96.9	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-37.2	177.8	-63.4	177.6	121.1	0	0	111	L736 E737 V742 D743 E744	L736-E740 WeakPolarHBondContact CA-OE2 3.35Å; L736-E740 HydrophobicContact CB-CB 4.1Å; E737-E740 HydrophobicContact CB-CG 4.3Å; E737-E740 PolarHBondContact N-OE2 3.34Å; E737-E740 WeakPolarHBondContact O-CB 3.43Å; E737-E740 PolarHBondContact O-N 3.43Å; E740-V742 VanDerWaalsContact C-N 3.33Å; E740-D743 PolarHBondContact O-N 3.33Å; E740-E744 PolarHBondContact O-N 3.3Å
741	V	98.4	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-37.8	173.3	-177.5	0	0	0	0	111.2	I674 F706 M725 V733 L736 E737 D738 S739 E744 C745 V766	I674-V741 HydrophobicContact CD1-CG1 4.35Å; F706-V741 HydrophobicContact CE1-CG1 4.38Å; F706-V741 HydrophobicContact CZ-CG1 4.08Å; M725-V741 HydrophobicContact CE-CG1 4.3Å; M725-V741 HydrophobicContact SD-CG1 3.81Å; V733-V741 HydrophobicContact CB-CG2 3.96Å; V733-V741 HydrophobicContact CG1-CG1 4.42Å; V733-V741 HydrophobicContact CG1-CG2 4.33Å; L736-V741 HydrophobicContact CB-CG2 3.85Å; L736-V741 HydrophobicContact CD1-CG2 4.32Å; E737-V741 PolarHBondContact O-N 3.06Å; E737-V741 VanDerWaalsContact O-N 3.17Å; D738-V741 PolarHBondContact O-N 2.97Å; S739-V741 VanDerWaalsContact C-N 3.35Å; V741-E744 PolarHBondContact O-N 2.69Å; V741-C745 WeakPolarHBondContact O-CB 3.48Å; V741-C745 PolarHBondContact O-N 3.39Å; V741-V766 HydrophobicContact CB-CG1 4.47Å; V741-V766 HydrophobicContact CB-CG2 4.13Å; V741-V766 HydrophobicContact CG1-CG1 4.14Å; V741-V766 HydrophobicContact CG1-CG2 4.12Å
742	V	98.6	Very high	97.2	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-44.4	172.7	169.9	0	0	0	0	110.9	I674 L676 D738 S739 E740 E744 C745 L746 P761 Y764 V766	I674-V742 HydrophobicContact CD1-CB 4.48Å; I674-V742 HydrophobicContact CD1-CG2 3.86Å; L676-V742 HydrophobicContact CD2-CG1 4.11Å; D738-V742 VanDerWaalsContact O-CG2 3.28Å; D738-V742 WeakPolarHBondContact O-CG2 3.35Å; D738-V742 PolarHBondContact O-N 3.26Å; S739-V742 WeakPolarHBondContact O-CB 3.48Å; S739-V742 PolarHBondContact O-N 3.21Å; E740-V742 VanDerWaalsContact C-N 3.33Å; V742-E744 VanDerWaalsContact C-N 3.34Å; V742-E744 PolarHBondContact O-N 2.91Å; V742-C745 WeakPolarHBondContact O-CB 3.46Å; V742-C745 PolarHBondContact O-N 3.24Å; V742-C745 VanDerWaalsContact O-N 3.14Å; V742-L746 HydrophobicContact CG1-CD1 3.86Å; V742-L746 HydrophobicContact CG1-CG 4.19Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 3.44Å; V742-P761 HydrophobicContact CG1-CG 3.92Å; V742-Y764 HydrophobicContact CG1-CD1 4.5Å; V742-Y764 HydrophobicContact CG2-CD1 3.91Å; V742-Y764 HydrophobicContact CG2-CD2 3.31Å; V742-Y764 HydrophobicContact CG2-CE1 4.13Å; V742-Y764 HydrophobicContact CG2-CE2 3.57Å; V742-Y764 HydrophobicContact CG2-CG 3.49Å; V742-Y764 VanDerWaalsContact CG2-CG 3.49Å; V742-V766 HydrophobicContact CG2-CG2 4.45Å
743	D	98.4	Very high	97.3	Very high	85 Å²	85	48.6 Å²	48.6	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-42.4	178	-72.5	-21.3	0	0	0	111.7	S739 E740 L746 K747	S739-D743 PolarHBondContact O-N 3.22Å; E740-D743 PolarHBondContact O-N 3.33Å; D743-L746 PolarHBondContact O-N 3.31Å; D743-K747 VanDerWaalsContact O-CG 3.26Å; D743-K747 WeakPolarHBondContact O-CG 3.15Å; D743-K747 PolarHBondContact O-N 3.2Å
744	E	98.1	Very high	97.4	Very high	60 Å²	60	52.3 Å²	52.3	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-41.6	173.4	-69.6	-57.5	128.2	0	0	112.2	F706 E740 V741 V742 K747 V748	F706-E744 HydrophobicContact CE2-CB 4.19Å; E740-E744 PolarHBondContact O-N 3.3Å; V741-E744 PolarHBondContact O-N 2.69Å; V742-E744 VanDerWaalsContact C-N 3.34Å; V742-E744 PolarHBondContact O-N 2.91Å; E744-K747 WeakPolarHBondContact O-CB 3.39Å; E744-K747 PolarHBondContact O-N 2.89Å; E744-K747 IonicContact OE1-NZ 3.92Å; E744-K747 PolarHBondContact OE1-NZ 3.08Å; E744-V748 PolarHBondContact O-N 3.13Å; E744-V748 VanDerWaalsContact O-N 3.16Å
745	C	98.6	Very high	97.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-41	176.8	-171.3	0	0	0	0	112.2	I674 F706 V741 V742 V748 L749	I674-C745 HydrophobicContact CD1-CB 3.77Å; F706-C745 HydrophobicContact CD1-CB 4.43Å; F706-C745 HydrophobicContact CD2-CB 4.2Å; F706-C745 HydrophobicContact CE1-CB 4.01Å; F706-C745 VanDerWaalsContact CE2-CA 3.47Å; F706-C745 HydrophobicContact CE2-CB 3.76Å; F706-C745 HydrophobicContact CZ-CB 3.66Å; V741-C745 WeakPolarHBondContact O-CB 3.48Å; V741-C745 PolarHBondContact O-N 3.39Å; V742-C745 WeakPolarHBondContact O-CB 3.46Å; V742-C745 PolarHBondContact O-N 3.24Å; V742-C745 VanDerWaalsContact O-N 3.14Å; C745-V748 PolarHBondContact O-N 3.13Å; C745-L749 PolarHBondContact O-N 2.8Å
746	L	98.6	Very high	97.4	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-35	176.3	-70	174.1	0	0	0	112.3	L676 F678 V742 D743 L749 R750 P761	L676-L746 HydrophobicContact CD2-CD2 4.23Å; F678-L746 HydrophobicContact CE1-CD2 3.91Å; F678-L746 HydrophobicContact CZ-CD2 4.2Å; V742-L746 HydrophobicContact CG1-CD1 3.86Å; V742-L746 HydrophobicContact CG1-CG 4.19Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 3.44Å; D743-L746 PolarHBondContact O-N 3.31Å; L746-L749 HydrophobicContact CD2-CD1 4.48Å; L746-L749 PolarHBondContact O-N 2.77Å; L746-R750 WeakPolarHBondContact O-CB 3.33Å; L746-R750 VanDerWaalsContact O-CG 3.22Å; L746-R750 WeakPolarHBondContact O-CG 3.43Å; L746-R750 PolarHBondContact O-N 2.85Å; L746-P761 HydrophobicContact CD1-CG 4.1Å; L746-P761 HydrophobicContact CD2-CG 4.42Å
747	K	98	Very high	97.3	Very high	109 Å²	109	57.9 Å²	57.9	47%	0.474	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-49	171.3	-73	168.5	-164.3	171.2	0	110.5	D743 E744 R750 E751	D743-K747 VanDerWaalsContact O-CG 3.26Å; D743-K747 WeakPolarHBondContact O-CG 3.15Å; D743-K747 PolarHBondContact O-N 3.2Å; E744-K747 WeakPolarHBondContact O-CB 3.39Å; E744-K747 PolarHBondContact O-N 2.89Å; E744-K747 IonicContact OE1-NZ 3.92Å; E744-K747 PolarHBondContact OE1-NZ 3.08Å; K747-R750 PolarHBondContact O-N 3.05Å; K747-E751 WeakPolarHBondContact O-CG 3.49Å; K747-E751 PolarHBondContact O-N 2.85Å
748	V	98.3	Very high	97.3	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-50.4	176.5	173.5	0	0	0	0	111	F706 F709 E744 C745 R750 E751 L752	F706-V748 HydrophobicContact CD2-CB 4.48Å; F706-V748 HydrophobicContact CD2-CG2 4.09Å; F709-V748 HydrophobicContact CE2-CG1 4.21Å; F709-V748 HydrophobicContact CZ-CG1 4.27Å; E744-V748 PolarHBondContact O-N 3.13Å; E744-V748 VanDerWaalsContact O-N 3.16Å; C745-V748 PolarHBondContact O-N 3.13Å; V748-R750 VanDerWaalsContact C-N 3.31Å; V748-R750 PolarHBondContact O-N 2.84Å; V748-E751 CarbonylContact O-C 3.4Å; V748-E751 WeakPolarHBondContact O-CB 3.36Å; V748-E751 PolarHBondContact O-N 2.64Å; V748-L752 HydrophobicContact CG1-CD1 3.95Å; V748-L752 HydrophobicContact CG1-CG 4.2Å; V748-L752 WeakPolarHBondContact O-CG 3.39Å; V748-L752 PolarHBondContact O-N 3.13Å
749	L	98.6	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-40.8	178.7	-74.5	170.6	0	0	0	112.4	F678 F682 F693 F709 L721 C745 L746 E751 L752 F753 V758	F678-L749 HydrophobicContact CE2-CD1 4.46Å; F678-L749 HydrophobicContact CZ-CD1 3.8Å; F682-L749 HydrophobicContact CZ-CD1 4.33Å; F682-L749 HydrophobicContact CZ-CD2 4.28Å; F693-L749 HydrophobicContact CZ-CD2 4.32Å; F709-L749 HydrophobicContact CD1-CD2 3.9Å; F709-L749 HydrophobicContact CE1-CD1 4.1Å; F709-L749 HydrophobicContact CE1-CD2 3.6Å; F709-L749 HydrophobicContact CE1-CG 3.81Å; F709-L749 HydrophobicContact CE2-CD2 4.34Å; F709-L749 HydrophobicContact CG-CD2 4.4Å; F709-L749 HydrophobicContact CZ-CD2 3.83Å; F709-L749 HydrophobicContact CZ-CG 3.98Å; L721-L749 HydrophobicContact CD1-CD2 4.12Å; C745-L749 PolarHBondContact O-N 2.8Å; L746-L749 HydrophobicContact CD2-CD1 4.48Å; L746-L749 PolarHBondContact O-N 2.77Å; L749-E751 VanDerWaalsContact C-N 3.31Å; L749-E751 PolarHBondContact O-N 3.32Å; L749-L752 PolarHBondContact O-N 2.78Å; L749-F753 HydrophobicContact CD2-CD2 4.5Å; L749-F753 HydrophobicContact CD2-CE2 4.2Å; L749-F753 VanDerWaalsContact O-CD2 3.31Å; L749-F753 WeakPolarHBondContact O-CD2 3.4Å; L749-F753 PolarHBondContact O-N 3.13Å; L749-V758 HydrophobicContact CB-CG1 4.21Å
750	R	98.4	Very high	97.3	Very high	109 Å²	109	53 Å²	53	41%	0.411	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-34.9	176.2	-73.6	168.7	-179.9	157.9	3.7	112.4	L746 K747 V748 F753 T754 V758 D760	L746-R750 WeakPolarHBondContact O-CB 3.33Å; L746-R750 VanDerWaalsContact O-CG 3.22Å; L746-R750 WeakPolarHBondContact O-CG 3.43Å; L746-R750 PolarHBondContact O-N 2.85Å; K747-R750 PolarHBondContact O-N 3.05Å; V748-R750 VanDerWaalsContact C-N 3.31Å; V748-R750 PolarHBondContact O-N 2.84Å; R750-F753 CarbonylContact O-C 3.6Å; R750-T754 PolarHBondContact O-N 2.86Å; R750-V758 HydrophobicContact CG-CB 3.86Å; R750-V758 HydrophobicContact CG-CG1 4.44Å; R750-V758 HydrophobicContact CG-CG2 4.23Å; R750-D760 IonicContact CZ-OD1 2.65Å; R750-D760 IonicContact NH2-OD1 3.42Å; R750-D760 PolarHBondContact NH2-OD1 3.08Å
751	E	97.9	Very high	97.3	Very high	87 Å²	87	50.3 Å²	50.3	41%	0.407	25%	0.25	S	S	.	.	H	α-helix	trans	-72.6	-29.3	173.1	-71.8	-61.5	152.9	0	0	113.2	E482 G483 G484 K747 V748 L749 T754	E482-E751 HydrophobicContact CB-CB 4Å; E482-E751 HydrophobicContact CG-CB 3.96Å; G483-E751 CarbonylContact C-O 3.57Å; G483-E751 WeakPolarHBondContact CA-O 3.37Å; G483-E751 PolarHBondContact N-O 3Å; G484-E751 PolarHBondContact N-O 3.02Å; K747-E751 WeakPolarHBondContact O-CG 3.49Å; K747-E751 PolarHBondContact O-N 2.85Å; V748-E751 CarbonylContact O-C 3.4Å; V748-E751 WeakPolarHBondContact O-CB 3.36Å; V748-E751 PolarHBondContact O-N 2.64Å; L749-E751 VanDerWaalsContact C-N 3.31Å; L749-E751 PolarHBondContact O-N 3.32Å; E751-T754 WeakPolarHBondContact O-CG2 3.32Å
752	L	97.9	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-79.6	-22.5	175.7	-63.2	-179	0	0	0	112.8	F480 G484 K686 F693 H695 F709 V748 L749	F480-L752 HydrophobicContact CB-CD2 3.87Å; G484-L752 VanDerWaalsContact CA-O 3.26Å; G484-L752 WeakPolarHBondContact CA-O 3.04Å; K686-L752 PolarHBondContact NZ-O 3.05Å; F693-L752 HydrophobicContact CE2-CD1 4.09Å; H695-L752 HydrophobicContact CB-CD1 4.1Å; F709-L752 HydrophobicContact CD2-CD1 4.42Å; F709-L752 HydrophobicContact CE2-CD1 4.07Å; V748-L752 HydrophobicContact CG1-CD1 3.95Å; V748-L752 HydrophobicContact CG1-CG 4.2Å; V748-L752 WeakPolarHBondContact O-CG 3.39Å; V748-L752 PolarHBondContact O-N 3.13Å; L749-L752 PolarHBondContact O-N 2.78Å
753	F	97.6	Very high	97.3	Very high	2 Å²	2	59 Å²	59	1%	0.009	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	46.2	-175.3	-66.6	-91.7	0	0	0	112	F682 W683 K686 I687 F693 L749 R750 D755 Q756 V758	F682-F753 HydrophobicContact CD2-CD1 4.24Å; F682-F753 HydrophobicContact CD2-CD2 4.47Å; F682-F753 HydrophobicContact CD2-CG 4.21Å; F682-F753 HydrophobicContact CE2-CD1 4.27Å; F682-F753 AromaticContact CE2-CD2 3.75Å; F682-F753 HydrophobicContact CE2-CD2 3.75Å; F682-F753 HydrophobicContact CE2-CE1 4.41Å; F682-F753 AromaticContact CE2-CE2 3.93Å; F682-F753 HydrophobicContact CE2-CE2 3.93Å; F682-F753 AromaticContact CE2-CG 3.94Å; F682-F753 HydrophobicContact CE2-CG 3.94Å; F682-F753 HydrophobicContact CE2-CZ 4.26Å; W683-F753 HydrophobicContact CB-CE1 3.66Å; W683-F753 HydrophobicContact CB-CZ 3.58Å; K686-F753 HydrophobicContact CB-CD1 4.38Å; K686-F753 HydrophobicContact CB-CE1 3.94Å; K686-F753 HydrophobicContact CD-CD1 3.98Å; K686-F753 HydrophobicContact CD-CE1 3.88Å; K686-F753 HydrophobicContact CG-CE1 4.38Å; I687-F753 HydrophobicContact CD1-CE1 4.47Å; I687-F753 HydrophobicContact CD1-CZ 4.11Å; I687-F753 HydrophobicContact CG1-CE1 4.28Å; I687-F753 HydrophobicContact CG1-CZ 4.03Å; F693-F753 HydrophobicContact CE1-CZ 4.4Å; F693-F753 AromaticContact CE2-CE2 3.92Å; F693-F753 HydrophobicContact CE2-CE2 3.92Å; F693-F753 HydrophobicContact CE2-CZ 4.18Å; F693-F753 AromaticContact CZ-CE2 3.84Å; F693-F753 HydrophobicContact CZ-CE2 3.84Å; F693-F753 AromaticContact CZ-CZ 3.92Å; F693-F753 HydrophobicContact CZ-CZ 3.92Å; L749-F753 HydrophobicContact CD2-CD2 4.5Å; L749-F753 HydrophobicContact CD2-CE2 4.2Å; L749-F753 VanDerWaalsContact O-CD2 3.31Å; L749-F753 WeakPolarHBondContact O-CD2 3.4Å; L749-F753 PolarHBondContact O-N 3.13Å; R750-F753 CarbonylContact O-C 3.6Å; F753-D755 PolarHBondContact O-N 2.88Å; F753-D755 VanDerWaalsContact O-N 3.17Å; F753-Q756 HydrophobicContact CB-CG 3.88Å; F753-Q756 HydrophobicContact CD1-CG 4.36Å; F753-Q756 WeakPolarHBondContact O-CG 3.45Å; F753-Q756 PolarHBondContact O-N 2.73Å; F753-V758 HydrophobicContact CB-CG2 3.71Å; F753-V758 HydrophobicContact CG-CG2 4.49Å
754	T	95.9	Very high	97.3	Very high	79 Å²	79	59.5 Å²	59.5	49%	0.485	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.6	-177.7	52.7	0	0	0	0	115.4	G483 R750 E751 Q756	G483-T754 PolarHBondContact O-OG1 2.6Å; R750-T754 PolarHBondContact O-N 2.86Å; E751-T754 WeakPolarHBondContact O-CG2 3.32Å; T754-Q756 VanDerWaalsContact C-N 3.28Å
755	D	91.4	Very high	97.3	Very high	110 Å²	110	57 Å²	57	59%	0.588	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.1	179	55.4	-37.5	0	0	0	113.6	K686 F753	K686-D755 WeakPolarHBondContact CE-OD1 3.31Å; K686-D755 WeakPolarHBondContact CE-OD2 3.31Å; K686-D755 IonicContact NZ-OD1 3.32Å; K686-D755 PolarHBondContact NZ-OD1 2.77Å; K686-D755 IonicContact NZ-OD2 3.83Å; F753-D755 PolarHBondContact O-N 2.88Å; F753-D755 VanDerWaalsContact O-N 3.17Å
756	Q	92.3	Very high	97.3	Very high	53 Å²	53	57.3 Å²	57.3	25%	0.248	28%	0.282	C	S	.	.	S	Bend	trans	-153.5	166	-176.5	53.8	176	88.9	0	0	112.1	F682 S685 F753 T754	F682-Q756 VanDerWaalsContact C-NE2 3.33Å; F682-Q756 PolarHBondContact O-NE2 2.88Å; S685-Q756 PolarHBondContact OG-OE1 3Å; F753-Q756 HydrophobicContact CB-CG 3.88Å; F753-Q756 HydrophobicContact CD1-CG 4.36Å; F753-Q756 WeakPolarHBondContact O-CG 3.45Å; F753-Q756 PolarHBondContact O-N 2.73Å; T754-Q756 VanDerWaalsContact C-N 3.28Å
757	E	94.8	Very high	97.3	Very high	173 Å²	173	57.4 Å²	57.4	81%	0.808	28%	0.283	S	S	*	.			trans	-80.9	129.9	175.2	-167.6	177.3	178	0	0	110.5
758	V	97.8	Very high	97.3	Very high	8 Å²	8	54.6 Å²	54.6	5%	0.048	27%	0.269	C	S	.	.			trans	-99.5	112.3	170.3	-179.8	0	0	0	0	108.1	F682 L749 R750 F753	F682-V758 HydrophobicContact CD1-CG1 4.4Å; F682-V758 HydrophobicContact CD2-CG1 4.47Å; F682-V758 HydrophobicContact CD2-CG2 4.05Å; F682-V758 HydrophobicContact CE1-CG1 3.92Å; F682-V758 HydrophobicContact CE2-CG1 4.01Å; F682-V758 HydrophobicContact CE2-CG2 3.89Å; F682-V758 HydrophobicContact CZ-CG1 3.72Å; F682-V758 HydrophobicContact CZ-CG2 4.45Å; L749-V758 HydrophobicContact CB-CG1 4.21Å; R750-V758 HydrophobicContact CG-CB 3.86Å; R750-V758 HydrophobicContact CG-CG1 4.44Å; R750-V758 HydrophobicContact CG-CG2 4.23Å; F753-V758 HydrophobicContact CB-CG2 3.71Å; F753-V758 HydrophobicContact CG-CG2 4.49Å
759	P	97.9	Very high	97.3	Very high	26 Å²	26	54.5 Å²	54.5	17%	0.169	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-69.5	159.1	-178	30.3	-36.1	0	0	0	111.7	F678 P679 N680 F682	F678-P759 HydrophobicContact CB-CG 4.41Å; F678-P759 HydrophobicContact CD1-CG 4.04Å; F678-P759 WeakPolarHBondContact CD1-O 3.46Å; F678-P759 WeakPolarHBondContact CE1-O 3.32Å; P679-P759 HydrophobicContact CG-CB 4.08Å; P679-P759 HydrophobicContact CG-CG 4.44Å; N680-P759 WeakPolarHBondContact OD1-CG 3.42Å; F682-P759 HydrophobicContact CD1-CG 4.17Å
760	D	98.1	Very high	97.1	Very high	105 Å²	105	56.4 Å²	56.4	56%	0.561	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-66.3	146.5	169.1	-66.8	-33.2	0	0	0	110.8	R750	R750-D760 IonicContact CZ-OD1 2.65Å; R750-D760 IonicContact NH2-OD1 3.42Å; R750-D760 PolarHBondContact NH2-OD1 3.08Å
761	P	97.9	Very high	97	Very high	28 Å²	28	56.9 Å²	56.9	18%	0.182	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72.1	139.1	179.9	30.6	-33.8	0	0	0	110.5	L676 Q677 F678 V742 L746	L676-P761 HydrophobicContact CB-CB 4.21Å; L676-P761 HydrophobicContact CD2-CB 4.2Å; L676-P761 HydrophobicContact CD2-CG 4.21Å; Q677-P761 CarbonylContact O-C 3.59Å; Q677-P761 WeakPolarHBondContact O-CA 3.23Å; F678-P761 HydrophobicContact CD1-CB 4.42Å; F678-P761 HydrophobicContact CE1-CB 4.18Å; V742-P761 HydrophobicContact CG1-CG 3.92Å; L746-P761 HydrophobicContact CD1-CG 4.1Å; L746-P761 HydrophobicContact CD2-CG 4.42Å
762	L	97.8	Very high	97	Very high	102 Å²	102	54 Å²	54	53%	0.534	27%	0.274	S	S	.	.	S	Bend	trans	-72.7	-39	174.9	-65	179.1	0	0	0	112.1	Q677 P679	Q677-L762 PolarHBondContact O-N 3.43Å; P679-L762 HydrophobicContact CB-CD1 4.39Å; P679-L762 HydrophobicContact CG-CD1 4.29Å; P679-L762 HydrophobicContact CG-CD2 3.95Å; P679-L762 HydrophobicContact CG-CG 3.95Å
763	N	98	Very high	97	Very high	85 Å²	85	58.1 Å²	58.1	46%	0.455	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	155.6	179.4	-68.3	-65.1	0	0	0	109.1	L440 Q677	L440-N763 HydrophobicContact CD2-CB 3.47Å; L440-N763 VanDerWaalsContact CD2-CB 3.47Å; Q677-N763 HydrophobicContact CB-CB 4.29Å; Q677-N763 PolarHBondContact N-O 3.42Å; Q677-N763 PolarHBondContact OE1-ND2 3.36Å
764	Y	98.4	Very high	97	Very high	97 Å²	97	62.1 Å²	62.1	38%	0.38	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	167.8	176.2	64.9	-93.4	0	0	0	111.9	A675 D738 V742	A675-Y764 CarbonylContact O-C 3.53Å; A675-Y764 WeakPolarHBondContact O-CA 3.13Å; A675-Y764 VanDerWaalsContact O-CB 3.28Å; A675-Y764 WeakPolarHBondContact O-CB 3.44Å; D738-Y764 HydrophobicContact CB-CE2 3.96Å; V742-Y764 HydrophobicContact CG1-CD1 4.5Å; V742-Y764 HydrophobicContact CG2-CD1 3.91Å; V742-Y764 HydrophobicContact CG2-CD2 3.31Å; V742-Y764 HydrophobicContact CG2-CE1 4.13Å; V742-Y764 HydrophobicContact CG2-CE2 3.57Å; V742-Y764 HydrophobicContact CG2-CG 3.49Å; V742-Y764 VanDerWaalsContact CG2-CG 3.49Å
765	F	98.5	Very high	97	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.035	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.2	156.5	68.4	-104.2	0	0	0	110.6	D437 L440 V444 R446 I674 A675 T767	D437-F765 HydrophobicContact CB-CD1 4.47Å; D437-F765 HydrophobicContact CB-CE1 4.08Å; L440-F765 HydrophobicContact CD1-CD1 3.98Å; L440-F765 HydrophobicContact CD1-CE1 3.92Å; V444-F765 HydrophobicContact CB-CE1 4.01Å; V444-F765 HydrophobicContact CB-CZ 4.2Å; V444-F765 HydrophobicContact CG1-CE1 3.88Å; V444-F765 HydrophobicContact CG1-CZ 3.61Å; R446-F765 HydrophobicContact CB-CE2 4.31Å; R446-F765 HydrophobicContact CG-CD2 4.08Å; R446-F765 HydrophobicContact CG-CE1 4.24Å; R446-F765 HydrophobicContact CG-CE2 3.66Å; R446-F765 HydrophobicContact CG-CZ 3.73Å; I674-F765 WeakPolarHBondContact CA-O 3.4Å; A675-F765 HydrophobicContact CB-CD1 4Å; A675-F765 HydrophobicContact CB-CE1 3.48Å; A675-F765 VanDerWaalsContact CB-CE1 3.48Å; A675-F765 HydrophobicContact CB-CE2 4.02Å; A675-F765 HydrophobicContact CB-CG 4.49Å; A675-F765 HydrophobicContact CB-CZ 3.49Å; A675-F765 VanDerWaalsContact CB-CZ 3.49Å; A675-F765 PolarHBondContact N-O 3.16Å; A675-F765 PolarHBondContact O-N 2.83Å; F765-T767 HydrophobicContact CD2-CG2 4.06Å; F765-T767 HydrophobicContact CE2-CG2 3.82Å
766	V	98.6	Very high	97.1	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.5	168	-178	0	0	0	0	107.7	K673 I674 M725 D738 V741 V742	K673-V766 CarbonylContact O-C 3.54Å; K673-V766 WeakPolarHBondContact O-CA 3.43Å; I674-V766 HydrophobicContact CB-CG2 4.45Å; I674-V766 HydrophobicContact CD1-CG2 4.09Å; I674-V766 HydrophobicContact CG1-CG2 4.01Å; M725-V766 HydrophobicContact CE-CG1 4.27Å; D738-V766 HydrophobicContact CB-CB 4.15Å; D738-V766 HydrophobicContact CB-CG2 4.02Å; V741-V766 HydrophobicContact CB-CG1 4.47Å; V741-V766 HydrophobicContact CB-CG2 4.13Å; V741-V766 HydrophobicContact CG1-CG1 4.14Å; V741-V766 HydrophobicContact CG1-CG2 4.12Å; V742-V766 HydrophobicContact CG2-CG2 4.45Å
767	T	98.5	Very high	97.4	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.037	26%	0.263	C	S	.	.			trans	-84.7	152.1	176.9	69.1	0	0	0	0	111	R446 E672 K673 F765	R446-T767 HydrophobicContact CB-CG2 3.93Å; R446-T767 HydrophobicContact CG-CG2 4.41Å; R446-T767 WeakPolarHBondContact O-CG2 3.34Å; E672-T767 WeakPolarHBondContact CA-OG1 3.38Å; E672-T767 VanDerWaalsContact CD-O 3.27Å; E672-T767 WeakPolarHBondContact OE2-CB 3.39Å; E672-T767 PolarHBondContact OE2-OG1 2.86Å; K673-T767 HydrophobicContact CB-CG2 3.92Å; K673-T767 PolarHBondContact N-OG1 3.44Å; K673-T767 PolarHBondContact O-N 3.32Å; F765-T767 HydrophobicContact CD2-CG2 4.06Å; F765-T767 HydrophobicContact CE2-CG2 3.82Å
768	R	97.8	Very high	97.6	Very high	49 Å²	49	45.6 Å²	45.6	19%	0.185	23%	0.229	C	C	.	.			trans	-133.7	50.4	177.4	-56.8	-65.9	-179.5	167.7	4	110.3	E672 V733 L736 D738 S770 K771 D772	E672-R768 VanDerWaalsContact OE1-C 3.29Å; E672-R768 WeakPolarHBondContact OE1-CA 3.43Å; E672-R768 WeakPolarHBondContact OE2-CA 3.4Å; E672-R768 PolarHBondContact OE2-N 2.93Å; V733-R768 PolarHBondContact O-NH1 3.45Å; L736-R768 PolarHBondContact O-NH2 3.05Å; D738-R768 IonicContact OD1-CZ 2.83Å; D738-R768 VanDerWaalsContact OD1-CZ 3.32Å; D738-R768 IonicContact OD1-NE 2.75Å; D738-R768 PolarHBondContact OD1-NE 3.38Å; D738-R768 IonicContact OD1-NH2 2.74Å; D738-R768 PolarHBondContact OD1-NH2 3.19Å; R768-S770 PolarHBondContact O-N 2.99Å; R768-K771 HydrophobicContact CB-CB 4.32Å; R768-K771 PolarHBondContact O-N 3.2Å; R768-K771 VanDerWaalsContact O-N 3.1Å; R768-D772 PolarHBondContact O-N 3.22Å
769	W	98.2	Very high	97.7	Very high	12 Å²	12	46.9 Å²	46.9	5%	0.045	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.1	177.6	-72.1	112.5	0	0	0	112.6	G432 R433 W435 R446 I670 E672 K771 D772 A775 Q776	G432-W769 WeakPolarHBondContact O-CH2 3.35Å; R433-W769 HydrophobicContact CG-CE3 4.37Å; R433-W769 HydrophobicContact CG-CZ3 4.17Å; W435-W769 HydrophobicContact CB-CH2 4.13Å; W435-W769 HydrophobicContact CB-CZ2 4.27Å; W435-W769 HydrophobicContact CE3-CH2 4.16Å; W435-W769 HydrophobicContact CE3-CZ2 4.34Å; R446-W769 PolarHBondContact O-NE1 3.48Å; I670-W769 HydrophobicContact CD1-CB 3.8Å; E672-W769 VanDerWaalsContact CD-N 3.28Å; E672-W769 PolarHBondContact OE1-N 2.77Å; E672-W769 PolarHBondContact OE2-N 3.41Å; W769-K771 VanDerWaalsContact C-N 3.34Å; W769-K771 PolarHBondContact O-N 3.17Å; W769-D772 HydrophobicContact CE3-CB 4.5Å; W769-D772 WeakPolarHBondContact O-CB 3.45Å; W769-D772 PolarHBondContact O-N 3.06Å; W769-A775 HydrophobicContact CE3-CB 4.12Å; W769-A775 HydrophobicContact CZ3-CB 4.44Å; W769-Q776 WeakPolarHBondContact O-CA 3.49Å; W769-Q776 PolarHBondContact O-N 3.07Å
770	S	95.9	Very high	97.7	Very high	39 Å²	39	45.7 Å²	45.7	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-40	173.4	50.2	0	0	0	0	112.9	E672 R768	E672-S770 WeakPolarHBondContact OE1-CB 3.33Å; E672-S770 PolarHBondContact OE1-N 3.22Å; E672-S770 PolarHBondContact OE1-OG 2.9Å; R768-S770 PolarHBondContact O-N 2.99Å
771	K	96.4	Very high	97.7	Very high	120 Å²	120	41.2 Å²	41.2	52%	0.522	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.4	-179.8	-62.2	-175.2	-179.5	178.2	0	113.3	G734 R768 W769 V773	G734-K771 WeakPolarHBondContact O-CE 3.37Å; G734-K771 PolarHBondContact O-NZ 3.05Å; R768-K771 HydrophobicContact CB-CB 4.32Å; R768-K771 PolarHBondContact O-N 3.2Å; R768-K771 VanDerWaalsContact O-N 3.1Å; W769-K771 VanDerWaalsContact C-N 3.34Å; W769-K771 PolarHBondContact O-N 3.17Å; K771-V773 PolarHBondContact O-N 3.47Å; K771-V773 VanDerWaalsContact O-N 3.13Å
772	D	97.4	Very high	97.8	Very high	27 Å²	27	40 Å²	40	14%	0.144	19%	0.193	C	C	.	.			trans	-74.3	104.6	-178.2	-173.6	-28.5	0	0	0	111.4	R427 R768 W769 W774 A775 Q776	R427-D772 IonicContact CZ-OD1 3.13Å; R427-D772 IonicContact CZ-OD2 2.92Å; R427-D772 IonicContact NH1-OD1 3.37Å; R427-D772 PolarHBondContact NH1-OD1 2.97Å; R427-D772 IonicContact NH1-OD2 3.12Å; R427-D772 PolarHBondContact NH1-OD2 3.17Å; R427-D772 IonicContact NH2-OD1 3.52Å; R427-D772 PolarHBondContact NH2-OD1 3.02Å; R427-D772 IonicContact NH2-OD2 2.7Å; R427-D772 PolarHBondContact NH2-OD2 3.36Å; R768-D772 PolarHBondContact O-N 3.22Å; W769-D772 HydrophobicContact CE3-CB 4.5Å; W769-D772 WeakPolarHBondContact O-CB 3.45Å; W769-D772 PolarHBondContact O-N 3.06Å; D772-W774 PolarHBondContact O-N 3.12Å; D772-W774 PolarHBondContact OD1-N 3.23Å; D772-A775 HydrophobicContact CB-CB 4.36Å; D772-A775 CarbonylContact O-C 3.28Å; D772-A775 PolarHBondContact O-N 2.95Å; D772-Q776 WeakPolarHBondContact O-CG 3.24Å; D772-Q776 PolarHBondContact O-N 3.49Å
773	V	97.3	Very high	97.8	Very high	86 Å²	86	39.1 Å²	39.1	52%	0.521	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.5	-171.8	-59.1	0	0	0	0	115.1	L643 K771 Q776	L643-V773 WeakPolarHBondContact CD2-O 2.98Å; K771-V773 PolarHBondContact O-N 3.47Å; K771-V773 VanDerWaalsContact O-N 3.13Å; V773-Q776 PolarHBondContact O-NE2 3.31Å
774	W	97.9	Very high	97.8	Very high	86 Å²	86	37.4 Å²	37.4	33%	0.326	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.6	-179.5	-53.8	117.6	0	0	0	113.8	A426 R427 P609 L643 D772	A426-W774 HydrophobicContact CB-CB 4.45Å; A426-W774 HydrophobicContact CB-CD2 3.56Å; A426-W774 HydrophobicContact CB-CE3 3.86Å; A426-W774 HydrophobicContact CB-CG 3.82Å; A426-W774 HydrophobicContact CB-CZ2 4.39Å; A426-W774 HydrophobicContact CB-CZ3 4.39Å; R427-W774 HydrophobicContact CG-CB 4.37Å; R427-W774 HydrophobicContact CG-CG 4.39Å; P609-W774 HydrophobicContact CB-CH2 3.27Å; P609-W774 HydrophobicContact CB-CZ2 3.56Å; P609-W774 HydrophobicContact CB-CZ3 3.82Å; P609-W774 HydrophobicContact CG-CH2 3.92Å; P609-W774 HydrophobicContact CG-CZ2 3.84Å; L643-W774 HydrophobicContact CD1-CE3 4.17Å; D772-W774 PolarHBondContact O-N 3.12Å; D772-W774 PolarHBondContact OD1-N 3.23Å
775	A	95.4	Very high	97.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-63.4	173.4	0	0	0	0	0	112.1	R433 T642 W769 D772 M777	R433-A775 HydrophobicContact CG-CB 4.38Å; T642-A775 PolarHBondContact OG1-O 3.16Å; W769-A775 HydrophobicContact CE3-CB 4.12Å; W769-A775 HydrophobicContact CZ3-CB 4.44Å; D772-A775 HydrophobicContact CB-CB 4.36Å; D772-A775 CarbonylContact O-C 3.28Å; D772-A775 PolarHBondContact O-N 2.95Å; A775-M777 WeakPolarHBondContact O-CG 3.42Å; A775-M777 PolarHBondContact O-N 3.46Å
776	Q	95.3	Very high	97.7	Very high	52 Å²	52	34.4 Å²	34.4	24%	0.243	18%	0.179	C	C	.	.			trans	53.8	22.4	-179.5	-49	-173	46.2	0	0	114.1	T642 W769 D772 V773	T642-Q776 HydrophobicContact CG2-CB 4.28Å; W769-Q776 WeakPolarHBondContact O-CA 3.49Å; W769-Q776 PolarHBondContact O-N 3.07Å; D772-Q776 WeakPolarHBondContact O-CG 3.24Å; D772-Q776 PolarHBondContact O-N 3.49Å; V773-Q776 PolarHBondContact O-NE2 3.31Å
777	M	98.5	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.			trans	-163.9	160.5	-177.9	69.8	-179.4	-64.1	0	0	110.4	R433 P640 L641 T642 A668 G669 A775 Y779 E807	R433-M777 WeakPolarHBondContact CD-O 3.26Å; P640-M777 HydrophobicContact CB-CG 4.2Å; P640-M777 HydrophobicContact CB-SD 3.76Å; L641-M777 HydrophobicContact CB-CE 4.07Å; L641-M777 HydrophobicContact CB-SD 3.82Å; T642-M777 HydrophobicContact CG2-CB 3.74Å; T642-M777 HydrophobicContact CG2-CG 4.01Å; T642-M777 HydrophobicContact CG2-SD 3.9Å; A668-M777 HydrophobicContact CB-CB 4.08Å; A668-M777 HydrophobicContact CB-CE 4.44Å; G669-M777 WeakPolarHBondContact O-CA 3.46Å; G669-M777 WeakPolarHBondContact O-CB 3.12Å; A775-M777 WeakPolarHBondContact O-CG 3.42Å; A775-M777 PolarHBondContact O-N 3.46Å; M777-Y779 VanDerWaalsContact CE-C 3.41Å; M777-E807 WeakPolarHBondContact CE-OE1 3.24Å
778	S	98.4	Very high	97.6	Very high	15 Å²	15	34.3 Å²	34.3	11%	0.105	18%	0.178	C	C	.	.	S	Bend	trans	-98.1	-54.7	168.3	-59.6	0	0	0	0	110.8	R433 G669 I671	R433-S778 WeakPolarHBondContact CD-O 3.18Å; R433-S778 PolarHBondContact NH1-O 3.49Å; G669-S778 PolarHBondContact O-N 3.13Å; I671-S778 WeakPolarHBondContact CG1-OG 3.46Å; I671-S778 PolarHBondContact N-OG 3.4Å; I671-S778 PolarHBondContact O-OG 2.69Å
779	Y	98.6	Very high	97.7	Very high	35 Å²	35	37 Å²	37	14%	0.137	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	159.3	-179	35.6	-95.9	0	0	0	111.4	F557 A558 G669 I671 M777 Q815	F557-Y779 PolarHBondContact O-OH 3.45Å; A558-Y779 WeakPolarHBondContact O-CE2 3.45Å; G669-Y779 CarbonylContact C-O 3.53Å; G669-Y779 WeakPolarHBondContact CA-O 3.15Å; G669-Y779 PolarHBondContact N-O 2.73Å; G669-Y779 PolarHBondContact O-N 3.14Å; I671-Y779 HydrophobicContact CD1-CE1 3.92Å; I671-Y779 WeakPolarHBondContact CD1-OH 3.46Å; I671-Y779 HydrophobicContact CG1-CE1 4.02Å; I671-Y779 WeakPolarHBondContact CG2-OH 3.43Å; M777-Y779 VanDerWaalsContact CE-C 3.41Å; Y779-Q815 HydrophobicContact CD2-CB 4.24Å; Y779-Q815 HydrophobicContact CD2-CG 4.06Å; Y779-Q815 HydrophobicContact CG-CB 4.07Å; Y779-Q815 HydrophobicContact CG-CG 4.31Å
780	S	98.8	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	160.3	-177.3	64.2	0	0	0	0	113.7	G667 Y791 E807 Q815	G667-S780 WeakPolarHBondContact O-CA 3.26Å; S780-Y791 VanDerWaalsContact OG-CE1 3.32Å; S780-Y791 WeakPolarHBondContact OG-CE1 3.43Å; S780-Y791 PolarHBondContact OG-OH 3.38Å; S780-E807 PolarHBondContact N-OE1 3.13Å; S780-E807 PolarHBondContact N-OE2 3.14Å; S780-E807 PolarHBondContact OG-OE2 2.98Å; S780-Q815 VanDerWaalsContact O-CG 3.26Å; S780-Q815 WeakPolarHBondContact O-CG 3.32Å; S780-Q815 PolarHBondContact O-NE2 3.08Å; S780-Q815 VanDerWaalsContact O-NE2 3.11Å
781	F	98.9	Very high	97.8	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	171.4	166.8	69.6	-85.5	0	0	0	109.9	C559 S561 Q565 V566 L666 G667 K783	C559-F781 WeakPolarHBondContact O-CB 3.18Å; C559-F781 WeakPolarHBondContact O-CD1 3.36Å; S561-F781 VanDerWaalsContact CB-CE1 3.45Å; S561-F781 VanDerWaalsContact OG-CZ 3.32Å; S561-F781 WeakPolarHBondContact OG-CZ 3.36Å; Q565-F781 HydrophobicContact CB-CE2 4.17Å; Q565-F781 HydrophobicContact CB-CZ 4.08Å; V566-F781 HydrophobicContact CB-CD2 4.36Å; V566-F781 HydrophobicContact CG1-CD2 4.45Å; V566-F781 HydrophobicContact CG2-CD2 3.79Å; V566-F781 HydrophobicContact CG2-CE2 3.89Å; L666-F781 WeakPolarHBondContact CA-O 3.27Å; G667-F781 VanDerWaalsContact CA-CE1 3.49Å; G667-F781 PolarHBondContact N-O 2.87Å; G667-F781 PolarHBondContact O-N 3.33Å; G667-F781 VanDerWaalsContact O-N 3.09Å; F781-K783 HydrophobicContact CE2-CB 4.45Å; F781-K783 HydrophobicContact CE2-CG 3.76Å; F781-K783 HydrophobicContact CZ-CG 3.98Å
782	V	98.8	Very high	97.9	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.9	174.4	-176.7	0	0	0	0	109.8	S567 F570 H573 L666 Y791	S567-V782 PolarHBondContact N-O 3.05Å; F570-V782 HydrophobicContact CB-CB 4.24Å; F570-V782 HydrophobicContact CB-CG1 3.81Å; H573-V782 WeakPolarHBondContact CD2-CG2 3.47Å; L666-V782 HydrophobicContact CD2-CG2 4Å; V782-Y791 HydrophobicContact CG2-CE2 3.96Å
783	K	98.7	Very high	98	Very high	83 Å²	83	32 Å²	32	36%	0.361	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-70.5	157.5	175.1	-69.6	166.8	60.1	-173.6	0	111	Q565 S567 H664 S665 L666 F781 G785 G786	Q565-K783 CarbonylContact O-C 3.58Å; Q565-K783 VanDerWaalsContact O-CA 3.26Å; Q565-K783 WeakPolarHBondContact O-CA 3.37Å; S567-K783 WeakPolarHBondContact CB-O 3.46Å; H664-K783 PolarHBondContact O-NZ 3.49Å; S665-K783 WeakPolarHBondContact O-CB 3.38Å; S665-K783 PolarHBondContact O-N 3.43Å; L666-K783 WeakPolarHBondContact O-CD 3.48Å; F781-K783 HydrophobicContact CE2-CB 4.45Å; F781-K783 HydrophobicContact CE2-CG 3.76Å; F781-K783 HydrophobicContact CZ-CG 3.98Å; K783-G785 PolarHBondContact O-N 3.17Å; K783-G786 WeakPolarHBondContact O-CA 3.37Å; K783-G786 PolarHBondContact O-N 3.44Å
784	T	98.5	Very high	98.1	Very high	50 Å²	50	27.9 Å²	27.9	31%	0.307	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	130.5	168.9	-47.9	0	0	0	0	111.5	D518 S519 P520 Q565 V566 G786	D518-T784 HydrophobicContact CB-CG2 4.43Å; D518-T784 WeakPolarHBondContact OD2-CA 3.27Å; S519-T784 VanDerWaalsContact C-CG2 3.48Å; P520-T784 HydrophobicContact CG-CG2 4.27Å; Q565-T784 PolarHBondContact O-N 3.04Å; Q565-T784 PolarHBondContact O-OG1 3.24Å; V566-T784 PolarHBondContact O-OG1 3.1Å; T784-G786 VanDerWaalsContact C-N 3.29Å
785	G	96.6	Very high	98.1	Very high	40 Å²	40	24.1 Å²	24.1	41%	0.412	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-5.4	-173.3	0	0	0	0	0	114.6	D518 K783	D518-G785 PolarHBondContact OD2-N 2.93Å; K783-G785 PolarHBondContact O-N 3.17Å
786	G	97.3	Very high	98.3	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	15%	0.148	C	C	.	.			trans	-78.2	-171	177.4	0	0	0	0	0	114.2	Q515 F570 K783 T784	Q515-G786 PolarHBondContact NE2-O 3.47Å; Q515-G786 VanDerWaalsContact NE2-O 3.08Å; F570-G786 WeakPolarHBondContact CD2-O 3.44Å; F570-G786 VanDerWaalsContact CE2-O 3.29Å; F570-G786 WeakPolarHBondContact CE2-O 3.38Å; K783-G786 WeakPolarHBondContact O-CA 3.37Å; K783-G786 PolarHBondContact O-N 3.44Å; T784-G786 VanDerWaalsContact C-N 3.29Å
787	S	97.9	Very high	98.4	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.063	15%	0.153	C	C	.	.			trans	-159.2	153.6	171.3	161.7	0	0	0	0	109.8	E789 A790	S787-E789 PolarHBondContact O-N 3.29Å; S787-E789 VanDerWaalsContact O-N 3.17Å; S787-E789 PolarHBondContact OG-N 2.94Å; S787-E789 VanDerWaalsContact OG-N 3.1Å; S787-A790 VanDerWaalsContact O-CB 3.27Å; S787-A790 WeakPolarHBondContact O-CB 3.44Å; S787-A790 PolarHBondContact O-N 2.89Å
788	G	97.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.1	171.1	0	0	0	0	0	114	H573 A790 Y791 R811	H573-G788 WeakPolarHBondContact ND1-CA 3.37Å; G788-A790 PolarHBondContact O-N 3.42Å; G788-A790 VanDerWaalsContact O-N 3.14Å; G788-Y791 WeakPolarHBondContact O-CB 3.31Å; G788-Y791 WeakPolarHBondContact O-CD2 3.35Å; G788-Y791 PolarHBondContact O-N 3.36Å; G788-Y791 VanDerWaalsContact O-N 3.16Å; G788-R811 VanDerWaalsContact O-CD 3.26Å; G788-R811 WeakPolarHBondContact O-CD 3.41Å; G788-R811 WeakPolarHBondContact O-CG 3.45Å
789	E	98.4	Very high	98.3	Very high	105 Å²	105	34.5 Å²	34.5	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-59.5	-22.9	174.2	-71.6	-179.3	-174.4	0	0	113.3	S787 Y791 D792 I793 R811	S787-E789 PolarHBondContact O-N 3.29Å; S787-E789 VanDerWaalsContact O-N 3.17Å; S787-E789 PolarHBondContact OG-N 2.94Å; S787-E789 VanDerWaalsContact OG-N 3.1Å; E789-Y791 PolarHBondContact O-N 3.11Å; E789-D792 PolarHBondContact O-N 3.14Å; E789-D792 VanDerWaalsContact O-N 3.09Å; E789-I793 WeakPolarHBondContact O-CG1 3.24Å; E789-I793 PolarHBondContact O-N 3.36Å; E789-R811 VanDerWaalsContact CG-NH1 3.34Å
790	A	98.8	Very high	98.1	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-33.1	177.1	0	0	0	0	0	112.4	A662 S665 L666 S787 G788 L794	A662-A790 HydrophobicContact CB-CB 4Å; S665-A790 WeakPolarHBondContact OG-CB 3.24Å; L666-A790 HydrophobicContact CD1-CB 4.22Å; L666-A790 HydrophobicContact CD2-CB 3.9Å; L666-A790 HydrophobicContact CG-CB 3.84Å; S787-A790 VanDerWaalsContact O-CB 3.27Å; S787-A790 WeakPolarHBondContact O-CB 3.44Å; S787-A790 PolarHBondContact O-N 2.89Å; G788-A790 PolarHBondContact O-N 3.42Å; G788-A790 VanDerWaalsContact O-N 3.14Å; A790-L794 VanDerWaalsContact O-CB 3.3Å; A790-L794 WeakPolarHBondContact O-CB 3.43Å; A790-L794 PolarHBondContact O-N 3.01Å
791	Y	98.9	Very high	98	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-41.9	174.6	-71.5	-96	0	0	0	111.7	H573 L666 S780 V782 G788 E789 L794 A795 A808 R811 P814	H573-Y791 AromaticContact CE1-CD2 3.77Å; H573-Y791 AromaticContact CE1-CE2 3.69Å; H573-Y791 AromaticContact NE2-CD2 3.74Å; H573-Y791 AromaticContact NE2-CE2 3.2Å; H573-Y791 WeakPolarHBondContact NE2-CE2 2.85Å; H573-Y791 AromaticContact NE2-CZ 3.95Å; L666-Y791 HydrophobicContact CD1-CD1 4.35Å; L666-Y791 HydrophobicContact CD1-CD2 4.21Å; L666-Y791 HydrophobicContact CD1-CE1 4.28Å; L666-Y791 HydrophobicContact CD1-CE2 4.17Å; L666-Y791 HydrophobicContact CD1-CG 4.3Å; L666-Y791 HydrophobicContact CD2-CD2 3.94Å; L666-Y791 HydrophobicContact CD2-CE2 3.47Å; L666-Y791 VanDerWaalsContact CD2-CE2 3.47Å; L666-Y791 HydrophobicContact CG-CE2 4.49Å; S780-Y791 VanDerWaalsContact OG-CE1 3.32Å; S780-Y791 WeakPolarHBondContact OG-CE1 3.43Å; S780-Y791 PolarHBondContact OG-OH 3.38Å; V782-Y791 HydrophobicContact CG2-CE2 3.96Å; G788-Y791 WeakPolarHBondContact O-CB 3.31Å; G788-Y791 WeakPolarHBondContact O-CD2 3.35Å; G788-Y791 PolarHBondContact O-N 3.36Å; G788-Y791 VanDerWaalsContact O-N 3.16Å; E789-Y791 PolarHBondContact O-N 3.11Å; Y791-L794 PolarHBondContact O-N 2.81Å; Y791-A795 WeakPolarHBondContact O-CB 3.45Å; Y791-A795 PolarHBondContact O-N 3.14Å; Y791-A808 WeakPolarHBondContact CD1-O 3.39Å; Y791-R811 HydrophobicContact CG-CB 4.43Å; Y791-P814 HydrophobicContact CD1-CB 4.24Å; Y791-P814 HydrophobicContact CE1-CB 3.45Å; Y791-P814 VanDerWaalsContact CE1-CB 3.45Å
792	D	98.8	Very high	98	Very high	64 Å²	64	35.6 Å²	35.6	34%	0.342	20%	0.196	S	C	.	.	H	α-helix	trans	-68.2	-45.6	178.5	-62	-32.2	0	0	0	110.7	E789 L794 A795 E796 R811	E789-D792 PolarHBondContact O-N 3.14Å; E789-D792 VanDerWaalsContact O-N 3.09Å; D792-L794 VanDerWaalsContact C-N 3.26Å; D792-L794 PolarHBondContact O-N 3.42Å; D792-A795 CarbonylContact O-C 3.04Å; D792-A795 WeakPolarHBondContact O-CA 3.2Å; D792-A795 WeakPolarHBondContact O-CB 3.43Å; D792-A795 PolarHBondContact O-N 3.02Å; D792-E796 PolarHBondContact O-N 3.41Å; D792-R811 WeakPolarHBondContact OD1-CB 3.36Å; D792-R811 WeakPolarHBondContact OD2-CD 3.22Å; D792-R811 IonicContact OD2-CZ 3.81Å; D792-R811 IonicContact OD2-NE 3.4Å; D792-R811 IonicContact OD2-NH1 2.68Å; D792-R811 PolarHBondContact OD2-NH1 3.46Å
793	I	98.8	Very high	98	Very high	22 Å²	22	35.8 Å²	35.8	11%	0.113	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-39	176.1	-64.6	168.5	0	0	0	110.7	R658 K659 A662 E789 A795 E796	R658-I793 HydrophobicContact CG-CD1 4.44Å; R658-I793 HydrophobicContact CG-CG2 3.99Å; K659-I793 PolarHBondContact NZ-O 3.02Å; A662-I793 HydrophobicContact CB-CB 3.82Å; A662-I793 HydrophobicContact CB-CD1 4.47Å; A662-I793 HydrophobicContact CB-CG2 3.59Å; E789-I793 WeakPolarHBondContact O-CG1 3.24Å; E789-I793 PolarHBondContact O-N 3.36Å; I793-A795 VanDerWaalsContact C-N 3.31Å; I793-E796 WeakPolarHBondContact O-CB 3.24Å; I793-E796 PolarHBondContact O-N 3.21Å
794	L	98.4	Very high	98	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-35.6	176.3	-168.9	53.8	0	0	0	111.5	L641 L644 K659 I663 A790 Y791 D792 F804 A808 T809	L641-L794 HydrophobicContact CD1-CD2 4.11Å; L644-L794 HydrophobicContact CD1-CD1 4.09Å; L644-L794 HydrophobicContact CD1-CD2 4.38Å; K659-L794 HydrophobicContact CD-CD1 4.44Å; K659-L794 HydrophobicContact CG-CD1 4.11Å; K659-L794 PolarHBondContact NZ-O 3.17Å; I663-L794 HydrophobicContact CD1-CD1 3.95Å; I663-L794 HydrophobicContact CG1-CD1 3.47Å; I663-L794 VanDerWaalsContact CG1-CD1 3.47Å; A790-L794 VanDerWaalsContact O-CB 3.3Å; A790-L794 WeakPolarHBondContact O-CB 3.43Å; A790-L794 PolarHBondContact O-N 3.01Å; Y791-L794 PolarHBondContact O-N 2.81Å; D792-L794 VanDerWaalsContact C-N 3.26Å; D792-L794 PolarHBondContact O-N 3.42Å; L794-F804 WeakPolarHBondContact O-CB 3.27Å; L794-F804 WeakPolarHBondContact O-CG 3.44Å; L794-A808 HydrophobicContact CD2-CB 4.24Å; L794-A808 WeakPolarHBondContact CD2-O 2.97Å; L794-T809 HydrophobicContact CD2-CG2 4.2Å; L794-T809 HydrophobicContact CG-CG2 4.02Å
795	A	98.8	Very high	98	Very high	6 Å²	6	29.8 Å²	29.8	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-74.2	-14.3	176.2	0	0	0	0	0	115.4	Y791 D792 I793 D797 K830	Y791-A795 WeakPolarHBondContact O-CB 3.45Å; Y791-A795 PolarHBondContact O-N 3.14Å; D792-A795 CarbonylContact O-C 3.04Å; D792-A795 WeakPolarHBondContact O-CA 3.2Å; D792-A795 WeakPolarHBondContact O-CB 3.43Å; D792-A795 PolarHBondContact O-N 3.02Å; I793-A795 VanDerWaalsContact C-N 3.31Å; A795-D797 PolarHBondContact O-N 3.39Å; A795-K830 PolarHBondContact O-NZ 3.48Å
796	E	98.6	Very high	98.1	Very high	75 Å²	75	28.3 Å²	28.3	35%	0.35	15%	0.152	S	C	.	.			trans	-58.5	130.8	175.1	-70.7	174.5	174.5	0	0	110.2	R658 K659 D792 I793	R658-E796 IonicContact CZ-OE1 3.24Å; R658-E796 IonicContact CZ-OE2 3.41Å; R658-E796 VanDerWaalsContact NH1-CD 3.31Å; R658-E796 IonicContact NH1-OE1 2.72Å; R658-E796 PolarHBondContact NH1-OE1 3.15Å; R658-E796 IonicContact NH1-OE2 3.42Å; R658-E796 PolarHBondContact NH1-OE2 3.25Å; R658-E796 IonicContact NH2-OE1 3.57Å; R658-E796 PolarHBondContact NH2-OE1 3.49Å; K659-E796 WeakPolarHBondContact CE-O 3.39Å; K659-E796 PolarHBondContact NZ-O 3.35Å; D792-E796 PolarHBondContact O-N 3.41Å; I793-E796 WeakPolarHBondContact O-CB 3.24Å; I793-E796 PolarHBondContact O-N 3.21Å
797	D	98.1	Very high	98.2	Very high	65 Å²	65	28.4 Å²	28.4	35%	0.348	15%	0.152	S	C	.	.			trans	-74	160.1	171.9	71.6	-90.5	0	0	0	111.1	A795 G800 V802 F803	A795-D797 PolarHBondContact O-N 3.39Å; D797-G800 VanDerWaalsContact OD2-CA 3.25Å; D797-G800 WeakPolarHBondContact OD2-CA 3.45Å; D797-G800 PolarHBondContact OD2-N 2.8Å; D797-V802 CarbonylContact C-O 3.55Å; D797-V802 VanDerWaalsContact CA-O 3.31Å; D797-V802 WeakPolarHBondContact CA-O 3.28Å; D797-F803 HydrophobicContact CB-CD1 3.55Å; D797-F803 HydrophobicContact CB-CE1 3.64Å; D797-F803 HydrophobicContact CB-CG 4.14Å; D797-F803 HydrophobicContact CB-CZ 4.28Å
798	V	98	Very high	98.2	Very high	12 Å²	12	28.2 Å²	28.2	7%	0.073	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-110.2	110.7	174.4	-176.8	0	0	0	0	108.3	Y615 G800 K801 V802 F804	Y615-V798 HydrophobicContact CE2-CG1 3.69Å; V798-G800 PolarHBondContact O-N 3.43Å; V798-K801 PolarHBondContact O-N 3.36Å; V798-V802 HydrophobicContact CB-CB 4.22Å; V798-V802 PolarHBondContact N-O 3.01Å; V798-V802 PolarHBondContact O-N 3.32Å; V798-V802 VanDerWaalsContact O-N 3.15Å; V798-F804 HydrophobicContact CG2-CE2 4.11Å
799	Q	96.5	Very high	98.3	Very high	134 Å²	134	28.5 Å²	28.5	63%	0.626	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	26.4	175.4	-55.7	174.5	12.2	0	0	114.3	K801	Q799-K801 PolarHBondContact O-N 3.39Å; Q799-K801 VanDerWaalsContact O-N 3.12Å
800	G	95.3	Very high	98.3	Very high	31 Å²	31	24.1 Å²	24.1	32%	0.32	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	14.6	-174.7	0	0	0	0	0	114.4	D797 V798 F803	D797-G800 VanDerWaalsContact OD2-CA 3.25Å; D797-G800 WeakPolarHBondContact OD2-CA 3.45Å; D797-G800 PolarHBondContact OD2-N 2.8Å; V798-G800 PolarHBondContact O-N 3.43Å; G800-F803 VanDerWaalsContact O-CE2 3.25Å; G800-F803 WeakPolarHBondContact O-CE2 3.43Å; G800-F803 WeakPolarHBondContact O-CZ 3.33Å
801	K	96.3	Very high	98.3	Very high	39 Å²	39	26 Å²	26	17%	0.17	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-43.3	-176.2	-72.3	-179.6	-178.7	176.9	0	112.8	A617 V620 K634 V635 V798 Q799	A617-K801 PolarHBondContact O-NZ 2.65Å; V620-K801 HydrophobicContact CG2-CB 4.01Å; K634-K801 CarbonylContact C-O 3.54Å; K634-K801 WeakPolarHBondContact CA-O 3.14Å; V635-K801 PolarHBondContact N-O 3.23Å; V798-K801 PolarHBondContact O-N 3.36Å; Q799-K801 PolarHBondContact O-N 3.39Å; Q799-K801 VanDerWaalsContact O-N 3.12Å
802	V	98.6	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116	-180	-173.4	0	0	0	0	109.3	Y615 V635 V637 F651 D797 V798 F804	Y615-V802 HydrophobicContact CD1-CG2 3.59Å; Y615-V802 HydrophobicContact CD2-CG2 4.1Å; Y615-V802 HydrophobicContact CE1-CG2 4.03Å; Y615-V802 HydrophobicContact CG-CG2 3.6Å; V635-V802 HydrophobicContact CG1-CB 4.1Å; V635-V802 HydrophobicContact CG1-CG1 3.98Å; V635-V802 HydrophobicContact CG1-CG2 3.85Å; V637-V802 HydrophobicContact CG2-CG1 4.11Å; F651-V802 HydrophobicContact CE1-CG1 4.16Å; D797-V802 CarbonylContact C-O 3.55Å; D797-V802 VanDerWaalsContact CA-O 3.31Å; D797-V802 WeakPolarHBondContact CA-O 3.28Å; V798-V802 HydrophobicContact CB-CB 4.22Å; V798-V802 PolarHBondContact N-O 3.01Å; V798-V802 PolarHBondContact O-N 3.32Å; V798-V802 VanDerWaalsContact O-N 3.15Å; V802-F804 HydrophobicContact CG1-CE2 3.79Å; V802-F804 HydrophobicContact CG1-CZ 3.76Å
803	F	98.8	Very high	98.3	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158.1	-179.3	-64.1	-96.5	0	0	0	110.4	K634 V635 L636 V637 D797 G800 E827 K830 M831	K634-F803 HydrophobicContact CB-CD2 4.32Å; K634-F803 HydrophobicContact CB-CE2 4.01Å; K634-F803 HydrophobicContact CD-CE2 3.74Å; K634-F803 HydrophobicContact CD-CZ 4.18Å; K634-F803 HydrophobicContact CG-CE2 4Å; V635-F803 PolarHBondContact O-N 3.22Å; L636-F803 HydrophobicContact CD1-CB 3.71Å; V637-F803 PolarHBondContact N-O 3.48Å; D797-F803 HydrophobicContact CB-CD1 3.55Å; D797-F803 HydrophobicContact CB-CE1 3.64Å; D797-F803 HydrophobicContact CB-CG 4.14Å; D797-F803 HydrophobicContact CB-CZ 4.28Å; G800-F803 VanDerWaalsContact O-CE2 3.25Å; G800-F803 WeakPolarHBondContact O-CE2 3.43Å; G800-F803 WeakPolarHBondContact O-CZ 3.33Å; F803-E827 VanDerWaalsContact CD1-OE2 3.29Å; F803-E827 WeakPolarHBondContact CD1-OE2 3.23Å; F803-K830 HydrophobicContact CD1-CB 4.37Å; F803-K830 HydrophobicContact CE1-CB 4Å; F803-M831 HydrophobicContact CB-SD 4.36Å; F803-M831 HydrophobicContact CD1-CG 3.96Å; F803-M831 HydrophobicContact CD2-CE 3.86Å; F803-M831 HydrophobicContact CD2-CG 3.79Å; F803-M831 HydrophobicContact CD2-SD 4.16Å; F803-M831 HydrophobicContact CE1-CG 4.03Å; F803-M831 HydrophobicContact CE2-CE 4.35Å; F803-M831 HydrophobicContact CE2-CG 3.88Å; F803-M831 HydrophobicContact CG-CE 4.42Å; F803-M831 HydrophobicContact CG-CG 3.84Å; F803-M831 HydrophobicContact CG-SD 4.17Å; F803-M831 HydrophobicContact CZ-CG 3.99Å
804	F	98.9	Very high	98.3	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.4	-177.7	-64.3	-92.3	0	0	0	111.2	V637 F651 L655 K659 L794 V798 V802 T809 R826 E827	V637-F804 HydrophobicContact CB-CD1 3.98Å; V637-F804 HydrophobicContact CB-CE1 4.06Å; V637-F804 HydrophobicContact CG1-CD1 4.34Å; V637-F804 HydrophobicContact CG1-CE1 4.31Å; V637-F804 HydrophobicContact CG2-CE1 4.36Å; V637-F804 WeakPolarHBondContact O-CA 3.3Å; F651-F804 HydrophobicContact CE1-CZ 4.4Å; F651-F804 HydrophobicContact CZ-CE1 4.42Å; L655-F804 HydrophobicContact CD1-CZ 4.42Å; L655-F804 HydrophobicContact CD2-CZ 3.84Å; K659-F804 HydrophobicContact CD-CE2 4Å; K659-F804 HydrophobicContact CD-CZ 4.02Å; L794-F804 WeakPolarHBondContact O-CB 3.27Å; L794-F804 WeakPolarHBondContact O-CG 3.44Å; V798-F804 HydrophobicContact CG2-CE2 4.11Å; V802-F804 HydrophobicContact CG1-CE2 3.79Å; V802-F804 HydrophobicContact CG1-CZ 3.76Å; F804-T809 HydrophobicContact CB-CG2 4.33Å; F804-R826 PolarHBondContact O-NH2 3.42Å; F804-E827 VanDerWaalsContact O-CD 3.32Å; F804-E827 VanDerWaalsContact O-CG 3.24Å; F804-E827 WeakPolarHBondContact O-CG 3.36Å
805	A	98.9	Very high	98.3	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	15%	0.153	C	C	.	.			trans	-133.7	172.7	171.5	0	0	0	0	0	110.3	A406 L636 V637 T638 T809 E827	A406-A805 HydrophobicContact CB-CB 4.15Å; L636-A805 HydrophobicContact CD1-CB 3.87Å; L636-A805 HydrophobicContact CD2-CB 4.47Å; V637-A805 PolarHBondContact O-N 3.22Å; T638-A805 WeakPolarHBondContact CA-O 3.47Å; T638-A805 HydrophobicContact CG2-CB 3.93Å; A805-T809 WeakPolarHBondContact CA-OG1 3.49Å; A805-E827 HydrophobicContact CB-CB 4.48Å; A805-E827 HydrophobicContact CB-CG 3.8Å
806	G	98.8	Very high	98.3	Very high	9 Å²	9	31.3 Å²	31.3	9%	0.093	16%	0.163	C	C	.	.	S	Bend	trans	127.2	162.7	-172.9	0	0	0	0	0	110.9	A808 T809 S823	G806-A808 PolarHBondContact O-N 3.19Å; G806-T809 PolarHBondContact N-OG1 3.07Å; G806-T809 WeakPolarHBondContact O-CB 3.35Å; G806-T809 PolarHBondContact O-N 3.46Å; G806-T809 PolarHBondContact O-OG1 3.28Å; G806-S823 PolarHBondContact N-OG 3.43Å; G806-S823 PolarHBondContact O-OG 3.48Å
807	E	98.8	Very high	98.3	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.019	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.4	179.4	58.7	81.2	-164.5	0	0	112.6	R433 M777 S780 T809 N810 Q815 A820	R433-E807 IonicContact CZ-OE1 3.1Å; R433-E807 IonicContact NH1-OE1 3.15Å; R433-E807 PolarHBondContact NH1-OE1 3.25Å; R433-E807 IonicContact NH2-OE1 3.72Å; R433-E807 PolarHBondContact NH2-OE1 3.35Å; M777-E807 WeakPolarHBondContact CE-OE1 3.24Å; S780-E807 PolarHBondContact N-OE1 3.13Å; S780-E807 PolarHBondContact N-OE2 3.14Å; S780-E807 PolarHBondContact OG-OE2 2.98Å; E807-T809 PolarHBondContact O-N 3.35Å; E807-N810 PolarHBondContact O-N 2.85Å; E807-N810 VanDerWaalsContact O-N 3.1Å; E807-Q815 VanDerWaalsContact OE2-CA 3.23Å; E807-Q815 WeakPolarHBondContact OE2-CA 3.42Å; E807-Q815 PolarHBondContact OE2-N 2.89Å; E807-A820 HydrophobicContact CB-CB 4.24Å
808	A	98.8	Very high	98.4	Very high	6 Å²	6	25.6 Å²	25.6	5%	0.05	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-68.4	0.2	174.8	0	0	0	0	0	114.6	L641 Y791 L794 G806	L641-A808 HydrophobicContact CB-CB 4.02Å; L641-A808 HydrophobicContact CD1-CB 4.47Å; Y791-A808 WeakPolarHBondContact CD1-O 3.39Å; L794-A808 HydrophobicContact CD2-CB 4.24Å; L794-A808 WeakPolarHBondContact CD2-O 2.97Å; G806-A808 PolarHBondContact O-N 3.19Å
809	T	98.9	Very high	98.4	Very high	5 Å²	5	25 Å²	25	3%	0.031	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-113.8	3.5	176.9	77.5	0	0	0	0	112.3	L794 F804 A805 G806 E807 S823 R826	L794-T809 HydrophobicContact CD2-CG2 4.2Å; L794-T809 HydrophobicContact CG-CG2 4.02Å; F804-T809 HydrophobicContact CB-CG2 4.33Å; A805-T809 WeakPolarHBondContact CA-OG1 3.49Å; G806-T809 PolarHBondContact N-OG1 3.07Å; G806-T809 WeakPolarHBondContact O-CB 3.35Å; G806-T809 PolarHBondContact O-N 3.46Å; G806-T809 PolarHBondContact O-OG1 3.28Å; E807-T809 PolarHBondContact O-N 3.35Å; T809-S823 WeakPolarHBondContact OG1-CB 3.3Å; T809-R826 PolarHBondContact O-NH1 2.66Å; T809-R826 PolarHBondContact OG1-NH2 3.3Å; T809-R826 VanDerWaalsContact OG1-NH2 3.13Å
810	N	98.9	Very high	98.5	Very high	13 Å²	13	19.2 Å²	19.2	7%	0.07	11%	0.107	C	C	.	.			trans	-113.4	99.7	-178.6	-166.7	-32.1	0	0	0	110.2	E807 H812 F813 P814 G819	E807-N810 PolarHBondContact O-N 2.85Å; E807-N810 VanDerWaalsContact O-N 3.1Å; N810-H812 VanDerWaalsContact C-N 3.32Å; N810-H812 PolarHBondContact O-N 2.91Å; N810-H812 PolarHBondContact OD1-N 3.05Å; N810-F813 CarbonylContact O-C 3.56Å; N810-F813 PolarHBondContact OD1-N 3.22Å; N810-P814 WeakPolarHBondContact O-CA 3.16Å; N810-P814 VanDerWaalsContact O-N 3.09Å; N810-G819 PolarHBondContact ND2-O 3.38Å
811	R	98.9	Very high	98.7	Very high	44 Å²	44	18 Å²	18	17%	0.166	9%	0.093	C	C	.	.	S	Bend	trans	-66.2	-33.9	-178.1	-173.8	176.3	177.1	174.3	1.2	113.5	H573 N574 F577 G788 E789 Y791 D792	H573-R811 PolarHBondContact CE1-O 3.33Å; N574-R811 WeakPolarHBondContact CB-O 3.31Å; F577-R811 HydrophobicContact CE2-CG 3.81Å; F577-R811 HydrophobicContact CZ-CG 4.45Å; G788-R811 VanDerWaalsContact O-CD 3.26Å; G788-R811 WeakPolarHBondContact O-CD 3.41Å; G788-R811 WeakPolarHBondContact O-CG 3.45Å; E789-R811 VanDerWaalsContact CG-NH1 3.34Å; Y791-R811 HydrophobicContact CG-CB 4.43Å; D792-R811 WeakPolarHBondContact OD1-CB 3.36Å; D792-R811 WeakPolarHBondContact OD2-CD 3.22Å; D792-R811 IonicContact OD2-CZ 3.81Å; D792-R811 IonicContact OD2-NE 3.4Å; D792-R811 IonicContact OD2-NH1 2.68Å; D792-R811 PolarHBondContact OD2-NH1 3.46Å
812	H	98.7	Very high	98.8	Very high	76 Å²	76	17.5 Å²	17.5	35%	0.352	9%	0.092	S	C	.	.	S	Bend	trans	-76.3	-38.6	-176	-69.5	-144.1	0	0	0	110.9	F577 Q579 N810	F577-H812 HydrophobicContact CB-CB 4.38Å; F577-H812 AromaticContact CD1-CD2 3.86Å; F577-H812 AromaticContact CD1-CE1 3.4Å; F577-H812 VanDerWaalsContact CD1-CE1 3.4Å; F577-H812 WeakPolarHBondContact CD1-CE1 3.37Å; F577-H812 AromaticContact CD1-ND1 3.87Å; F577-H812 AromaticContact CD1-NE2 3.41Å; F577-H812 WeakPolarHBondContact CD1-NE2 3.24Å; F577-H812 AromaticContact CD2-CD2 3.85Å; F577-H812 AromaticContact CE1-CD2 4Å; F577-H812 AromaticContact CE1-CE1 3.85Å; F577-H812 AromaticContact CE1-NE2 3.42Å; F577-H812 WeakPolarHBondContact CE1-NE2 3.42Å; F577-H812 AromaticContact CG-CD2 3.78Å; F577-H812 AromaticContact CG-CE1 3.84Å; F577-H812 AromaticContact CG-CG 3.8Å; F577-H812 AromaticContact CG-ND1 3.83Å; F577-H812 AromaticContact CG-NE2 3.83Å; F577-H812 AromaticContact CZ-NE2 3.86Å; Q579-H812 PolarHBondContact NE2-O 2.88Å; Q579-H812 PolarHBondContact OE1-O 2.75Å; N810-H812 VanDerWaalsContact C-N 3.32Å; N810-H812 PolarHBondContact O-N 2.91Å; N810-H812 PolarHBondContact OD1-N 3.05Å
813	F	98.8	Very high	98.9	Very high	16 Å²	16	17.5 Å²	17.5	7%	0.07	9%	0.092	C	C	.	.	S	Bend	trans	-134.5	67.2	-175.4	-44.2	-63	0	0	0	109.6	A296 A578 F580 N810 G819 L822	A296-F813 HydrophobicContact CB-CE1 3.61Å; A296-F813 HydrophobicContact CB-CZ 3.46Å; A296-F813 VanDerWaalsContact CB-CZ 3.46Å; A578-F813 WeakPolarHBondContact O-CE1 3.5Å; F580-F813 AromaticContact CD2-CD1 3.68Å; F580-F813 HydrophobicContact CD2-CD1 3.68Å; F580-F813 AromaticContact CD2-CE1 3.81Å; F580-F813 HydrophobicContact CD2-CE1 3.81Å; F580-F813 HydrophobicContact CD2-CG 4.21Å; F580-F813 HydrophobicContact CD2-CZ 4.41Å; F580-F813 HydrophobicContact CE2-CB 4.42Å; F580-F813 AromaticContact CE2-CD1 3.52Å; F580-F813 HydrophobicContact CE2-CD1 3.52Å; F580-F813 AromaticContact CE2-CD2 3.84Å; F580-F813 HydrophobicContact CE2-CD2 3.84Å; F580-F813 AromaticContact CE2-CE1 3.63Å; F580-F813 HydrophobicContact CE2-CE1 3.63Å; F580-F813 AromaticContact CE2-CE2 3.93Å; F580-F813 HydrophobicContact CE2-CE2 3.93Å; F580-F813 AromaticContact CE2-CG 3.63Å; F580-F813 HydrophobicContact CE2-CG 3.63Å; F580-F813 AromaticContact CE2-CZ 3.83Å; F580-F813 HydrophobicContact CE2-CZ 3.83Å; F580-F813 HydrophobicContact CZ-CD2 4.44Å; F580-F813 HydrophobicContact CZ-CE1 4.4Å; F580-F813 HydrophobicContact CZ-CE2 4.22Å; F580-F813 HydrophobicContact CZ-CZ 4.2Å; N810-F813 CarbonylContact O-C 3.56Å; N810-F813 PolarHBondContact OD1-N 3.22Å; F813-G819 WeakPolarHBondContact O-CA 3.49Å; F813-L822 HydrophobicContact CD2-CD1 3.74Å; F813-L822 HydrophobicContact CE2-CD1 4.04Å
814	P	98.8	Very high	98.9	Very high	8 Å²	8	17.2 Å²	17.2	5%	0.052	9%	0.09	C	C	.	.			trans	-67.2	174.4	177.7	32.4	-37.2	0	0	0	110.5	N574 Y791 N810 T816	N574-P814 HydrophobicContact CB-CG 4.04Å; Y791-P814 HydrophobicContact CD1-CB 4.24Å; Y791-P814 HydrophobicContact CE1-CB 3.45Å; Y791-P814 VanDerWaalsContact CE1-CB 3.45Å; N810-P814 WeakPolarHBondContact O-CA 3.16Å; N810-P814 VanDerWaalsContact O-N 3.09Å; P814-T816 PolarHBondContact O-N 3.15Å
815	Q	98.8	Very high	98.9	Very high	67 Å²	67	17.4 Å²	17.4	31%	0.313	9%	0.092	S	C	.	.	S	Bend	trans	68.7	-42.4	171.3	-50.5	178.9	-42	0	0	117	A558 Y779 S780 E807	A558-Q815 PolarHBondContact O-NE2 3.29Å; Y779-Q815 HydrophobicContact CD2-CB 4.24Å; Y779-Q815 HydrophobicContact CD2-CG 4.06Å; Y779-Q815 HydrophobicContact CG-CB 4.07Å; Y779-Q815 HydrophobicContact CG-CG 4.31Å; S780-Q815 VanDerWaalsContact O-CG 3.26Å; S780-Q815 WeakPolarHBondContact O-CG 3.32Å; S780-Q815 PolarHBondContact O-NE2 3.08Å; S780-Q815 VanDerWaalsContact O-NE2 3.11Å; E807-Q815 VanDerWaalsContact OE2-CA 3.23Å; E807-Q815 WeakPolarHBondContact OE2-CA 3.42Å; E807-Q815 PolarHBondContact OE2-N 2.89Å
816	T	98.9	Very high	98.9	Very high	40 Å²	40	20.5 Å²	20.5	25%	0.245	10%	0.103	C	C	.	.	S	Bend	trans	-81.3	157.3	-164.3	61	0	0	0	0	113.6	P814 T818 G819 A820	P814-T816 PolarHBondContact O-N 3.15Å; T816-T818 PolarHBondContact O-N 3.34Å; T816-G819 PolarHBondContact O-N 3.29Å; T816-G819 PolarHBondContact OG1-N 3.44Å; T816-A820 PolarHBondContact O-N 3.19Å
817	V	98.9	Very high	98.9	Very high	16 Å²	16	20.1 Å²	20.1	10%	0.097	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-39.6	167.8	-180	0	0	0	0	110.5	A405 V434 A448 I459 Y591 A820 Y821	A405-V817 HydrophobicContact CB-CG1 3.81Å; V434-V817 HydrophobicContact CG2-CG1 4.4Å; V434-V817 HydrophobicContact CG2-CG2 3.77Å; A448-V817 HydrophobicContact CB-CG2 3.4Å; A448-V817 VanDerWaalsContact CB-CG2 3.4Å; I459-V817 HydrophobicContact CD1-CG1 4.18Å; Y591-V817 HydrophobicContact CD1-CB 4.24Å; Y591-V817 HydrophobicContact CD1-CG1 3.77Å; Y591-V817 HydrophobicContact CD1-CG2 4.32Å; Y591-V817 HydrophobicContact CD2-CG2 4.49Å; Y591-V817 HydrophobicContact CE1-CB 3.82Å; Y591-V817 HydrophobicContact CE1-CG1 3.74Å; Y591-V817 HydrophobicContact CE1-CG2 4.16Å; Y591-V817 HydrophobicContact CE2-CG2 4.34Å; Y591-V817 HydrophobicContact CG-CG2 4.46Å; V817-A820 PolarHBondContact O-N 3.42Å; V817-Y821 WeakPolarHBondContact O-CB 3.32Å; V817-Y821 PolarHBondContact O-N 3.37Å
818	T	98.9	Very high	98.8	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-56.9	-49.1	173.8	-61.4	0	0	0	0	111.7	N457 P458 I459 F580 T816 A820 Y821 L822	N457-T818 PolarHBondContact ND2-OG1 3.08Å; N457-T818 WeakPolarHBondContact OD1-CG2 3.48Å; N457-T818 PolarHBondContact OD1-OG1 2.95Å; P458-T818 HydrophobicContact CG-CG2 3.81Å; I459-T818 WeakPolarHBondContact CG1-OG1 3.41Å; F580-T818 HydrophobicContact CD2-CG2 4.11Å; F580-T818 HydrophobicContact CE2-CG2 3.4Å; F580-T818 VanDerWaalsContact CE2-CG2 3.4Å; F580-T818 HydrophobicContact CZ-CG2 3.67Å; T816-T818 PolarHBondContact O-N 3.34Å; T818-A820 PolarHBondContact O-N 3.31Å; T818-Y821 PolarHBondContact O-N 3.19Å; T818-L822 HydrophobicContact CG2-CD1 3.9Å; T818-L822 WeakPolarHBondContact O-CG 3.48Å; T818-L822 PolarHBondContact O-N 2.98Å
819	G	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.4	-47.8	175.7	0	0	0	0	0	113.8	N810 F813 T816 L822 S823	N810-G819 PolarHBondContact ND2-O 3.38Å; F813-G819 WeakPolarHBondContact O-CA 3.49Å; T816-G819 PolarHBondContact O-N 3.29Å; T816-G819 PolarHBondContact OG1-N 3.44Å; G819-L822 PolarHBondContact O-N 3.5Å; G819-S823 WeakPolarHBondContact O-CB 3.43Å; G819-S823 PolarHBondContact O-N 3.42Å
820	A	98.9	Very high	98.8	Very high	12 Å²	12	23.3 Å²	23.3	10%	0.099	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-49	174.6	0	0	0	0	0	111.5	A405 A406 E807 T816 V817 T818 L822 S823 G824	A405-A820 HydrophobicContact CB-CB 4.06Å; A406-A820 VanDerWaalsContact CA-O 3.23Å; A406-A820 WeakPolarHBondContact CA-O 3.5Å; A406-A820 HydrophobicContact CB-CB 4.16Å; A406-A820 VanDerWaalsContact CB-O 3.25Å; A406-A820 WeakPolarHBondContact CB-O 3.3Å; E807-A820 HydrophobicContact CB-CB 4.24Å; T816-A820 PolarHBondContact O-N 3.19Å; V817-A820 PolarHBondContact O-N 3.42Å; T818-A820 PolarHBondContact O-N 3.31Å; A820-L822 PolarHBondContact O-N 3.28Å; A820-S823 PolarHBondContact O-N 2.97Å; A820-S823 PolarHBondContact O-OG 3.25Å; A820-G824 PolarHBondContact O-N 3.47Å; A820-G824 VanDerWaalsContact O-N 3.13Å
821	Y	98.9	Very high	98.6	Very high	6 Å²	6	22.7 Å²	22.7	2%	0.024	11%	0.108	C	C	.	.	H	α-helix	trans	-55.9	-51.3	177.1	174	-87.2	0	0	0	111.6	T379 G380 A409 P458 M462 L598 V817 T818 S823 G824 V825	T379-Y821 PolarHBondContact OG1-OH 3.04Å; T379-Y821 VanDerWaalsContact OG1-OH 3.07Å; G380-Y821 VanDerWaalsContact CA-OH 3.26Å; G380-Y821 WeakPolarHBondContact CA-OH 3.44Å; G380-Y821 PolarHBondContact N-OH 3.03Å; A409-Y821 HydrophobicContact CB-CD2 3.44Å; A409-Y821 VanDerWaalsContact CB-CD2 3.44Å; A409-Y821 HydrophobicContact CB-CE2 3.75Å; A409-Y821 HydrophobicContact CB-CG 4.01Å; A409-Y821 WeakPolarHBondContact CB-O 3.46Å; P458-Y821 HydrophobicContact CB-CD1 3.62Å; P458-Y821 HydrophobicContact CB-CE1 3.48Å; P458-Y821 VanDerWaalsContact CB-CE1 3.48Å; P458-Y821 HydrophobicContact CG-CD1 3.68Å; P458-Y821 HydrophobicContact CG-CE1 4.06Å; M462-Y821 HydrophobicContact CE-CD2 3.96Å; M462-Y821 HydrophobicContact CE-CE2 3.97Å; M462-Y821 HydrophobicContact SD-CD2 4.37Å; M462-Y821 HydrophobicContact SD-CE2 3.85Å; L598-Y821 HydrophobicContact CD1-CD2 4.22Å; L598-Y821 HydrophobicContact CD1-CE2 4.2Å; L598-Y821 HydrophobicContact CD2-CE2 4.41Å; V817-Y821 WeakPolarHBondContact O-CB 3.32Å; V817-Y821 PolarHBondContact O-N 3.37Å; T818-Y821 PolarHBondContact O-N 3.19Å; Y821-S823 VanDerWaalsContact C-N 3.31Å; Y821-S823 PolarHBondContact O-N 3.25Å; Y821-G824 PolarHBondContact O-N 2.96Å; Y821-V825 HydrophobicContact CD1-CG2 4.11Å; Y821-V825 HydrophobicContact CE1-CG2 3.57Å; Y821-V825 PolarHBondContact O-N 3.34Å
822	L	98.9	Very high	98.4	Very high	28 Å²	28	20.6 Å²	20.6	15%	0.147	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-35.3	-178.6	-69.9	170.6	0	0	0	112.5	L297 P458 F580 F813 T818 G819 A820 G824 V825 R826	L297-L822 HydrophobicContact CD1-CD1 4.19Å; L297-L822 HydrophobicContact CD1-CD2 4.02Å; P458-L822 HydrophobicContact CG-CD1 4.42Å; P458-L822 HydrophobicContact CG-CD2 4.01Å; P458-L822 HydrophobicContact CG-CG 4.08Å; F580-L822 HydrophobicContact CE2-CD1 4.13Å; F580-L822 HydrophobicContact CZ-CD1 3.81Å; F813-L822 HydrophobicContact CD2-CD1 3.74Å; F813-L822 HydrophobicContact CE2-CD1 4.04Å; T818-L822 HydrophobicContact CG2-CD1 3.9Å; T818-L822 WeakPolarHBondContact O-CG 3.48Å; T818-L822 PolarHBondContact O-N 2.98Å; G819-L822 PolarHBondContact O-N 3.5Å; A820-L822 PolarHBondContact O-N 3.28Å; L822-G824 VanDerWaalsContact C-N 3.31Å; L822-G824 PolarHBondContact O-N 3.43Å; L822-V825 PolarHBondContact O-N 3.44Å; L822-R826 WeakPolarHBondContact O-CB 3.44Å; L822-R826 PolarHBondContact O-N 2.77Å
823	S	98.9	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-37	173.5	73.1	0	0	0	0	112.1	G806 T809 G819 A820 Y821 R826 E827	G806-S823 PolarHBondContact N-OG 3.43Å; G806-S823 PolarHBondContact O-OG 3.48Å; T809-S823 WeakPolarHBondContact OG1-CB 3.3Å; G819-S823 WeakPolarHBondContact O-CB 3.43Å; G819-S823 PolarHBondContact O-N 3.42Å; A820-S823 PolarHBondContact O-N 2.97Å; A820-S823 PolarHBondContact O-OG 3.25Å; Y821-S823 VanDerWaalsContact C-N 3.31Å; Y821-S823 PolarHBondContact O-N 3.25Å; S823-R826 WeakPolarHBondContact O-CB 3.37Å; S823-R826 PolarHBondContact O-N 2.68Å; S823-E827 WeakPolarHBondContact O-CG 3.28Å; S823-E827 PolarHBondContact O-N 2.72Å
824	G	98.9	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-43	174.2	0	0	0	0	0	112.5	A406 A410 A820 Y821 L822 E827 A828	A406-G824 WeakPolarHBondContact O-CA 3.48Å; A410-G824 WeakPolarHBondContact CA-O 3.46Å; A410-G824 WeakPolarHBondContact CB-O 3.27Å; A820-G824 PolarHBondContact O-N 3.47Å; A820-G824 VanDerWaalsContact O-N 3.13Å; Y821-G824 PolarHBondContact O-N 2.96Å; L822-G824 VanDerWaalsContact C-N 3.31Å; L822-G824 PolarHBondContact O-N 3.43Å; G824-E827 PolarHBondContact O-N 3.13Å; G824-A828 WeakPolarHBondContact O-CB 3.25Å; G824-A828 PolarHBondContact O-N 2.96Å
825	V	98.9	Very high	95.9	Very high	8 Å²	8	26.6 Å²	26.6	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-44	174.3	176.3	0	0	0	0	111.3	A409 Q413 Y821 L822 E827 A828 S829	A409-V825 HydrophobicContact CB-CG2 4.43Å; Q413-V825 HydrophobicContact CG-CG2 4.12Å; Y821-V825 HydrophobicContact CD1-CG2 4.11Å; Y821-V825 HydrophobicContact CE1-CG2 3.57Å; Y821-V825 PolarHBondContact O-N 3.34Å; L822-V825 PolarHBondContact O-N 3.44Å; V825-E827 PolarHBondContact O-N 3.26Å; V825-A828 PolarHBondContact O-N 3.13Å; V825-S829 PolarHBondContact O-N 2.81Å
826	R	98.9	Very high	95.7	Very high	69 Å²	69	24.5 Å²	24.5	26%	0.26	14%	0.139	S	C	.	.	H	α-helix	trans	-57	-49.6	176.2	-179.4	-167	69.1	-147.9	-4.5	111.6	F804 T809 L822 S823 S829 K830	F804-R826 PolarHBondContact O-NH2 3.42Å; T809-R826 PolarHBondContact O-NH1 2.66Å; T809-R826 PolarHBondContact OG1-NH2 3.3Å; T809-R826 VanDerWaalsContact OG1-NH2 3.13Å; L822-R826 WeakPolarHBondContact O-CB 3.44Å; L822-R826 PolarHBondContact O-N 2.77Å; S823-R826 WeakPolarHBondContact O-CB 3.37Å; S823-R826 PolarHBondContact O-N 2.68Å; R826-S829 WeakPolarHBondContact O-CB 3.14Å; R826-S829 PolarHBondContact O-N 2.85Å; R826-K830 PolarHBondContact O-N 3.24Å; R826-K830 VanDerWaalsContact O-N 3.1Å
827	E	98.8	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69	-36.8	-179.9	-62.6	-48.1	122.9	0	0	112	L636 F803 F804 A805 S823 G824 V825 S829 K830 M831	L636-E827 HydrophobicContact CD1-CB 3.77Å; L636-E827 HydrophobicContact CD1-CG 3.8Å; L636-E827 HydrophobicContact CD2-CB 4.27Å; F803-E827 VanDerWaalsContact CD1-OE2 3.29Å; F803-E827 WeakPolarHBondContact CD1-OE2 3.23Å; F804-E827 VanDerWaalsContact O-CD 3.32Å; F804-E827 VanDerWaalsContact O-CG 3.24Å; F804-E827 WeakPolarHBondContact O-CG 3.36Å; A805-E827 HydrophobicContact CB-CB 4.48Å; A805-E827 HydrophobicContact CB-CG 3.8Å; S823-E827 WeakPolarHBondContact O-CG 3.28Å; S823-E827 PolarHBondContact O-N 2.72Å; G824-E827 PolarHBondContact O-N 3.13Å; V825-E827 PolarHBondContact O-N 3.26Å; E827-S829 VanDerWaalsContact C-N 3.28Å; E827-S829 PolarHBondContact O-N 3.24Å; E827-K830 PolarHBondContact O-N 2.99Å; E827-K830 VanDerWaalsContact O-N 3.17Å; E827-K830 IonicContact OE1-NZ 3.73Å; E827-K830 PolarHBondContact OE1-NZ 3.34Å; E827-K830 WeakPolarHBondContact OE2-CD 3.38Å; E827-K830 IonicContact OE2-NZ 2.75Å; E827-M831 WeakPolarHBondContact O-CB 3.32Å; E827-M831 WeakPolarHBondContact O-CG 3.11Å; E827-M831 PolarHBondContact O-N 3.08Å
828	A	98.5	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-41.2	171.5	0	0	0	0	0	112	Q413 L414 F417 G824 V825 M831 A832	Q413-A828 HydrophobicContact CB-CB 3.58Å; Q413-A828 HydrophobicContact CG-CB 4.37Å; L414-A828 HydrophobicContact CD2-CB 4.23Å; L414-A828 HydrophobicContact CG-CB 3.91Å; F417-A828 HydrophobicContact CE2-CB 4.48Å; G824-A828 WeakPolarHBondContact O-CB 3.25Å; G824-A828 PolarHBondContact O-N 2.96Å; V825-A828 PolarHBondContact O-N 3.13Å; A828-M831 PolarHBondContact O-N 3.32Å; A828-A832 WeakPolarHBondContact O-CB 3.29Å; A828-A832 PolarHBondContact O-N 2.97Å
829	S	98.3	Very high	95.1	Very high	7 Å²	7	25.3 Å²	25.3	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-45.6	174.2	-178.9	0	0	0	0	112.3	R373 V825 R826 E827 M831 A832 A833	R373-S829 WeakPolarHBondContact O-CA 3.38Å; R373-S829 WeakPolarHBondContact O-CB 3.39Å; R373-S829 PolarHBondContact O-OG 3.29Å; V825-S829 PolarHBondContact O-N 2.81Å; R826-S829 WeakPolarHBondContact O-CB 3.14Å; R826-S829 PolarHBondContact O-N 2.85Å; E827-S829 VanDerWaalsContact C-N 3.28Å; E827-S829 PolarHBondContact O-N 3.24Å; S829-M831 VanDerWaalsContact C-N 3.34Å; S829-A832 PolarHBondContact O-N 2.79Å; S829-A833 PolarHBondContact O-N 3.31Å; S829-A833 VanDerWaalsContact O-N 3.11Å
830	K	97.6	Very high	94.9	Very high	75 Å²	75	27 Å²	27	33%	0.326	15%	0.151	S	C	.	.	H	α-helix	trans	-65	-39.8	178.8	-69.3	177.3	-176.2	167	0	111.4	A795 F803 R826 E827 A832 A833	A795-K830 PolarHBondContact O-NZ 3.48Å; F803-K830 HydrophobicContact CD1-CB 4.37Å; F803-K830 HydrophobicContact CE1-CB 4Å; R826-K830 PolarHBondContact O-N 3.24Å; R826-K830 VanDerWaalsContact O-N 3.1Å; E827-K830 PolarHBondContact O-N 2.99Å; E827-K830 VanDerWaalsContact O-N 3.17Å; E827-K830 IonicContact OE1-NZ 3.73Å; E827-K830 PolarHBondContact OE1-NZ 3.34Å; E827-K830 WeakPolarHBondContact OE2-CD 3.38Å; E827-K830 IonicContact OE2-NZ 2.75Å; K830-A832 VanDerWaalsContact C-N 3.32Å; K830-A832 PolarHBondContact O-N 3.19Å; K830-A833 PolarHBondContact O-N 3.35Å
831	M	96.3	Very high	94.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-71.8	-26.8	-178.6	-66.9	173.5	93.3	0	0	112.9	S395 V398 L414 K634 L636 F803 E827 A828 S829	S395-M831 PolarHBondContact OG-O 3.07Å; V398-M831 HydrophobicContact CB-CE 4.23Å; V398-M831 HydrophobicContact CG1-CE 3.3Å; V398-M831 HydrophobicContact CG1-SD 4.35Å; V398-M831 HydrophobicContact CG2-CE 3.87Å; L414-M831 HydrophobicContact CD1-SD 4.14Å; L414-M831 HydrophobicContact CD2-CB 4.13Å; K634-M831 HydrophobicContact CB-CE 3.47Å; K634-M831 VanDerWaalsContact CB-CE 3.47Å; K634-M831 HydrophobicContact CD-CB 4.19Å; K634-M831 HydrophobicContact CD-CE 4.3Å; K634-M831 HydrophobicContact CD-CG 4.23Å; K634-M831 PolarHBondContact NZ-O 3.08Å; L636-M831 HydrophobicContact CB-CE 4.21Å; L636-M831 HydrophobicContact CB-SD 4.13Å; F803-M831 HydrophobicContact CB-SD 4.36Å; F803-M831 HydrophobicContact CD1-CG 3.96Å; F803-M831 HydrophobicContact CD2-CE 3.86Å; F803-M831 HydrophobicContact CD2-CG 3.79Å; F803-M831 HydrophobicContact CD2-SD 4.16Å; F803-M831 HydrophobicContact CE1-CG 4.03Å; F803-M831 HydrophobicContact CE2-CE 4.35Å; F803-M831 HydrophobicContact CE2-CG 3.88Å; F803-M831 HydrophobicContact CG-CE 4.42Å; F803-M831 HydrophobicContact CG-CG 3.84Å; F803-M831 HydrophobicContact CG-SD 4.17Å; F803-M831 HydrophobicContact CZ-CG 3.99Å; E827-M831 WeakPolarHBondContact O-CB 3.32Å; E827-M831 WeakPolarHBondContact O-CG 3.11Å; E827-M831 PolarHBondContact O-N 3.08Å; A828-M831 PolarHBondContact O-N 3.32Å; S829-M831 VanDerWaalsContact C-N 3.34Å
832	A	94.7	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-92.5	-6.7	175.7	0	0	0	0	0	114.3	R373 Y393 F417 A828 S829 K830	R373-A832 HydrophobicContact CG-CB 4.34Å; Y393-A832 WeakPolarHBondContact CD1-O 3.29Å; F417-A832 HydrophobicContact CD2-CB 3.74Å; F417-A832 HydrophobicContact CE2-CB 4.14Å; A828-A832 WeakPolarHBondContact O-CB 3.29Å; A828-A832 PolarHBondContact O-N 2.97Å; S829-A832 PolarHBondContact O-N 2.79Å; K830-A832 VanDerWaalsContact C-N 3.32Å; K830-A832 PolarHBondContact O-N 3.19Å
833	A	86.5	Confident	93.9	Very high	47 Å²	47	29.9 Å²	29.9	39%	0.388	17%	0.167	S	C	.	.			trans	-65.5	143.4	174.5	0	0	0	0	0	110.8	S829 K830	S829-A833 PolarHBondContact O-N 3.31Å; S829-A833 VanDerWaalsContact O-N 3.11Å; K830-A833 PolarHBondContact O-N 3.35Å
834	V	60	Low	93.4	Very high	152 Å²	152	32.6 Å²	32.6	92%	0.921	18%	0.182	S	C	*	.			trans	-97.7	0	-177.5	-179.5	0	0	0	0	110	R392 Y393	R392-V834 HydrophobicContact CG-CG2 4.43Å; R392-V834 WeakPolarHBondContact O-CG2 3.38Å; Y393-V834 HydrophobicContact CD1-CG2 3.67Å; Y393-V834 HydrophobicContact CE1-CG2 4.03Å; Y393-V834 HydrophobicContact CG-CG2 4.21Å

Retrieved 834 of 834 residues in 262.8 ms (Link to these results)

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