A0A3Q0KQ68_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,089 aa.

						>A0A3Q0KQ68_SCHMA|A0A3Q0KQ68
MGTASSVHGGGRKTKQKVMDTRELKASVENINGEHENRLEAEQNKVTNKAGGTIHCIRADNKAAIVVHGCTEEYQTLADELPEIIMKQIGPNMIAHPMILGKYCLVRDSEGDGDHLLRVPIDEHKKIKIQKSKLQLPLYGLSQPSYEQIKKQINDLHHNKCLVINVRSDPCLFTFDSDDWLPYAVREFDSIQNIMENQHQSGIDLQDMEVKCREDVISIVKAKRESVFYFYDDITFFENQPIAHVATAPDYLLVGEEVYNGAIVGKHGIRYIRLNFVPGKFPLEEEVDRFIDELRHICSDSLPKYLNSTNKSIIKTNTPHDDFSSSIHRMVIPHFLVTGHKMTDGSIQLGLVMGHLALKALSSIFTLINPEGQQKDLYQFNQTTNHPISLSKNEHNHNVNNHISSIHTKPDIIEKKTNKVMNEVTFNRKMNLLRKGKYHFIKQLGRYLPFMVQIKEEVDNAIDDFDDVINLREETVDCIIEFLGLPITDESDKSSLLKTLYNRTIDRMERYHLLICFNAYLHEQMQLRFSENFSTWMKHQPRLYQIMDFLDICEWYTSVDMLKYEHRILVTDSSLHIDELSTQRITGLNNFRQLAGLPIYGSSQPDTNGIINIHNVLTKAYWNISLKNIRPVVNEFNNSKKSSEKSSNGKDVNSYAVIMPQMIWICLRDDYVVKYSGETCSWRVKHKPEDSIILRGANGMELEEMERKFALSVSKIKPPCKLFKLNDNGKLSMINIDLNDQQIELLSLKQMFKQAFNMVNTINSSVSSSSNNNNNNSIEVSSIHSTLFDQVPNSYAIYLNEHAQYHRVPLPNYGHPPPPIFDDILRLMLNNARGLLASTNTCLSLKHACSGLSQPSKSARQSIFNPTNKDDLQLPSPSDTLLNKVAVTNLIFFCGTGRERTSLAMAIAGLIHCHLFGFMFGYRVEEEERISLRDAKYTKGEFIIIKKLIRMLPRGHQIKREVDYVLDRCYESMSMMHFHTREEIYFTYVKARDENDPEKKLRLRKRSLAYLERYFFLILFNAYLHDQQPKRWKISFEVWIQQATHQVYFMDLLDNFGFPEFEEPDKLRRIRERWRPDDSPHPALVGDFT
					

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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	24.5	Very low	23	Very low	255 Å²	255	118.1 Å²	118.1	100%	1.256	83%	0.825	S	S	*	*				0	140.5	0	-81.5	-171.8	-173.9	0	0	108.5
2	G	29.8	Very low	22.9	Very low	79 Å²	79	127.9 Å²	127.9	81%	0.814	83%	0.83	S	S	*	*			trans	135.8	56.9	162.2	0	0	0	0	0	115.2
3	T	22.3	Very low	22.8	Very low	137 Å²	137	132.8 Å²	132.8	84%	0.84	83%	0.831	S	S	*	*			trans	-61.2	144.9	160.6	39.9	0	0	0	0	112.2
4	A	22.5	Very low	22.9	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	83%	0.832	S	S	*	*			trans	65.5	119.1	143.2	0	0	0	0	0	118.7
5	S	20.8	Very low	22.8	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	83%	0.834	S	S	*	*				140.4	132.1	99.6	65.7	0	0	0	0	113.8
6	S	21.5	Very low	22.8	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	83%	0.832	S	S	*	*				97.1	145.3	130	88.2	0	0	0	0	120.4
7	V	24.3	Very low	22.8	Very low	111 Å²	111	141.6 Å²	141.6	67%	0.673	83%	0.827	S	S	*	*			trans	104.6	95.3	145.1	179.9	0	0	0	0	117.6
8	H	23.1	Very low	22.8	Very low	181 Å²	181	139.7 Å²	139.7	84%	0.838	82%	0.817	S	S	*	*				70.1	128.8	122.9	-68.2	7.1	0	0	0	120.5
9	G	21.6	Very low	22.7	Very low	76 Å²	76	140.7 Å²	140.7	78%	0.784	82%	0.815	S	S	*	*				129.7	99.5	101.7	0	0	0	0	0	116.4
10	G	20.7	Very low	22.7	Very low	87 Å²	87	139.9 Å²	139.9	90%	0.897	81%	0.808	S	S	*	*				85	123.4	122.7	0	0	0	0	0	119.3
11	G	21.9	Very low	22.9	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	81%	0.808	S	S	*	*				130.3	121.6	118.1	0	0	0	0	0	118.4
12	R	22	Very low	22.8	Very low	236 Å²	236	138.6 Å²	138.6	89%	0.891	79%	0.791	S	S	*	*			trans	68.2	110.9	142.2	-76.5	178.6	167	175.5	-4.1	118.3
13	K	21.4	Very low	22.7	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	80%	0.796	S	S	*	*				64.7	114.2	80.7	-74.4	-170.9	178.9	-177.9	0	114
14	T	24.8	Very low	22.7	Very low	138 Å²	138	145.3 Å²	145.3	85%	0.847	80%	0.795	S	S	*	*			trans	175.7	107.8	135.5	24.1	0	0	0	0	108.3
15	K	20.6	Very low	22.5	Very low	200 Å²	200	150.2 Å²	150.2	87%	0.87	80%	0.8	S	S	*	*				71	130.9	82.9	-92.6	-166.7	176.9	-177.4	0	115.2
16	Q	23.8	Very low	22.7	Very low	170 Å²	170	149.7 Å²	149.7	79%	0.794	80%	0.802	S	S	*	*			trans	108.1	133.2	160.2	-68.5	-174.1	-12.5	0	0	114.1
17	K	21.3	Very low	22.8	Very low	172 Å²	172	149.8 Å²	149.8	75%	0.748	80%	0.803	S	S	*	*			cis	-174.5	155.8	-2.2	-125.2	-178.1	173.8	-178.4	0	107.3
18	V	23	Very low	22.8	Very low	107 Å²	107	150.3 Å²	150.3	65%	0.648	81%	0.806	S	S	*	*			trans	93.7	106.9	138.1	169.9	0	0	0	0	119.8
19	M	22.4	Very low	22.7	Very low	160 Å²	160	149.3 Å²	149.3	79%	0.788	80%	0.801	S	S	*	*			trans	68	145	132.6	-70.7	175	63.6	0	0	119.3
20	D	21.5	Very low	22.7	Very low	124 Å²	124	151.8 Å²	151.8	66%	0.663	80%	0.797	S	S	*	*			cis	178.9	140.2	-18.1	-122.9	-25	0	0	0	103.4
21	T	27.1	Very low	22.9	Very low	133 Å²	133	154.2 Å²	154.2	82%	0.816	79%	0.788	S	S	*	*			trans	147.3	85.3	157.1	47.3	0	0	0	0	107.3
22	R	21.6	Very low	22.9	Very low	235 Å²	235	158.2 Å²	158.2	89%	0.887	79%	0.791	S	S	*	*				55.2	87.4	91.3	-68.8	-171.5	-178.3	-177	1.4	113
23	E	28.4	Very low	23.1	Very low	199 Å²	199	150.7 Å²	150.7	93%	0.93	79%	0.787	S	S	*	*				-148.1	133.3	128.1	-109.7	172.4	-165.6	0	0	109.5
24	L	22	Very low	23.1	Very low	157 Å²	157	150.3 Å²	150.3	82%	0.822	79%	0.789	S	S	*	*			trans	-75.5	129.4	-171	-78.7	141.5	0	0	0	110
25	K	19.7	Very low	23.2	Very low	193 Å²	193	152.7 Å²	152.7	84%	0.839	79%	0.79	S	S	*	*				49.1	111.5	94	-74.8	-168.7	178.3	-177.5	0	115.1
26	A	24.3	Very low	23.2	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	79%	0.788	S	S	*	*				168	136.1	128.5	0	0	0	0	0	105.6
27	S	23.1	Very low	23.3	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	79%	0.794	S	S	*	*			cis	-177	145.9	22.7	7.2	0	0	0	0	108
28	V	23.8	Very low	23.4	Very low	122 Å²	122	154.4 Å²	154.4	74%	0.739	80%	0.799	S	S	*	*			trans	76.7	97.2	141.8	179.2	0	0	0	0	115.5
29	E	20.9	Very low	23.4	Very low	160 Å²	160	156.7 Å²	156.7	75%	0.748	81%	0.807	S	S	*	*				76	128.1	77.8	-78.3	-175.9	172.4	0	0	114
30	N	23	Very low	23.5	Very low	129 Å²	129	158.1 Å²	158.1	69%	0.69	81%	0.812	S	S	*	*			trans	98.7	110.2	133.8	-81.8	-15.5	0	0	0	121.4
31	I	24.6	Very low	23.7	Very low	138 Å²	138	157.2 Å²	157.2	71%	0.708	82%	0.821	S	S	*	*				120.5	104.7	124.2	-67.4	156.4	0	0	0	116
32	N	21.1	Very low	23.5	Very low	158 Å²	158	159.8 Å²	159.8	85%	0.845	82%	0.824	S	S	*	*			trans	39.4	118.9	132.5	-52.4	-17.8	0	0	0	120.1
33	G	26.4	Very low	23.5	Very low	78 Å²	78	157.2 Å²	157.2	80%	0.804	82%	0.822	S	S	*	*			trans	-164.1	96.8	155.8	0	0	0	0	0	109.5
34	E	21.5	Very low	23.4	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.864	82%	0.818	S	S	*	*			trans	-57.5	134.1	170.7	-61.6	171.9	147.7	0	0	110.4
35	H	26.7	Very low	23.4	Very low	187 Å²	187	157.7 Å²	157.7	87%	0.866	82%	0.822	S	S	*	*			trans	-172.4	128.2	131.6	-99.2	-63.9	0	0	0	110.7
36	E	22.1	Very low	23.7	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	82%	0.816	S	S	*	*			trans	-58.9	130.9	-179.1	-60.4	168.1	132.7	0	0	112.5
37	N	25.9	Very low	23.7	Very low	174 Å²	174	155.8 Å²	155.8	93%	0.93	82%	0.817	S	S	*	*			trans	-165.6	107.6	137.9	-90	-34	0	0	0	108.1
38	R	22	Very low	23.8	Very low	227 Å²	227	158.3 Å²	158.3	86%	0.857	82%	0.822	S	S	*	*			trans	-124.3	145.6	-173.6	-148.7	-175.6	-170.6	-178.1	3	107.4
39	L	24.4	Very low	23.9	Very low	156 Å²	156	162 Å²	162	82%	0.817	83%	0.828	S	S	*	*			trans	84.8	121.1	164.8	-46.4	165.8	0	0	0	111.3
40	E	23.2	Very low	24.2	Very low	190 Å²	190	159.4 Å²	159.4	89%	0.888	83%	0.834	S	S	*	*			cis	-157.8	117.8	44.8	-66	170.7	156.3	0	0	109.8
41	A	26.4	Very low	24.5	Very low	104 Å²	104	156.8 Å²	156.8	86%	0.86	84%	0.838	S	S	*	*			trans	-162.5	52.3	165.6	0	0	0	0	0	111.2
42	E	21.9	Very low	25	Very low	187 Å²	187	153.9 Å²	153.9	87%	0.874	84%	0.841	S	S	*	*			trans	-137.4	87.8	167.5	-79.3	-166.4	161.7	0	0	109.7
43	Q	22.6	Very low	25.7	Very low	182 Å²	182	149.7 Å²	149.7	85%	0.85	82%	0.822	S	S	*	*			trans	-179.2	102.2	148.3	-103.8	163.4	21.3	0	0	108.6
44	N	25.8	Very low	26.3	Very low	155 Å²	155	151.2 Å²	151.2	83%	0.829	81%	0.81	S	S	*	*			trans	170.8	69	143.3	-82.8	-19.9	0	0	0	109.9
45	K	22.7	Very low	27	Very low	211 Å²	211	147 Å²	147	92%	0.917	79%	0.791	S	S	*	*			trans	-101.4	82.1	155.9	-84.1	-175.3	176.3	177.2	0	107.6
46	V	25.8	Very low	27.6	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.715	78%	0.777	S	S	*	*			trans	-101	111.7	162	178.9	0	0	0	0	106.7	N48	V46-N48 PolarHBondContact O-N 3.38Å
47	T	23.4	Very low	28.2	Very low	129 Å²	129	140.1 Å²	140.1	79%	0.791	77%	0.77	S	S	*	*			trans	-71.5	99.5	178.3	49.4	0	0	0	0	110
48	N	25.6	Very low	28.8	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	75%	0.753	S	S	*	*			trans	-83.5	122	163.2	-84.3	-11	0	0	0	109.4	V46	V46-N48 PolarHBondContact O-N 3.38Å
49	K	25.5	Very low	29.3	Very low	200 Å²	200	131.5 Å²	131.5	87%	0.87	74%	0.739	S	S	*	*			trans	-75.5	145.7	172.5	-75.8	174.6	171.3	177.1	0	109.8
50	A	28.2	Very low	29.7	Very low	105 Å²	105	131.3 Å²	131.3	87%	0.868	74%	0.738	S	S	*	*	S	Bend	trans	83.9	109.3	174.7	0	0	0	0	0	116.4
51	G	29.8	Very low	30.7	Very low	75 Å²	75	129.5 Å²	129.5	77%	0.773	74%	0.735	S	S	*	*			trans	91.1	83.7	172.7	0	0	0	0	0	114.2	T53	G51-T53 PolarHBondContact O-N 3.35Å; G51-T53 VanDerWaalsContact O-N 3.08Å
52	G	33.7	Very low	31.4	Very low	76 Å²	76	134.8 Å²	134.8	78%	0.784	74%	0.738	S	S	*	*			trans	-75.6	94.1	179.4	0	0	0	0	0	112.2	I54	G52-I54 PolarHBondContact O-N 3.37Å
53	T	35.5	Very low	32.2	Very low	70 Å²	70	128.9 Å²	128.9	43%	0.429	72%	0.722	S	S	.	*			trans	-73.2	112.1	162.8	-44.7	0	0	0	0	108.1	G51 H55	G51-T53 PolarHBondContact O-N 3.35Å; G51-T53 VanDerWaalsContact O-N 3.08Å; T53-H55 WeakPolarHBondContact CG2-NE2 3.43Å; T53-H55 PolarHBondContact O-N 2.96Å
54	I	39.3	Very low	33.4	Very low	111 Å²	111	123.2 Å²	123.2	57%	0.569	71%	0.706	S	S	*	*	B	Isolated β-bridge	trans	-83.8	95	171.6	-56	173.9	0	0	0	106.5	G52	G52-I54 PolarHBondContact O-N 3.37Å
55	H	36.7	Very low	34.3	Very low	97 Å²	97	118.8 Å²	118.8	45%	0.449	68%	0.682	S	S	.	*			trans	-81.4	123.7	170.3	-67.6	-88.3	0	0	0	109.4	T53 I57	T53-H55 WeakPolarHBondContact CG2-NE2 3.43Å; T53-H55 PolarHBondContact O-N 2.96Å; H55-I57 HydrophobicContact CB-CD1 3.96Å; H55-I57 HydrophobicContact CB-CG1 3.43Å; H55-I57 VanDerWaalsContact CB-CG1 3.43Å; H55-I57 PolarHBondContact O-N 3.08Å; H55-I57 VanDerWaalsContact O-N 3.08Å
56	C	38.4	Very low	35.4	Very low	85 Å²	85	112.8 Å²	112.8	57%	0.574	66%	0.663	S	S	*	*			trans	-78.1	78.2	158.2	-73.3	0	0	0	0	108.3	R58	C56-R58 PolarHBondContact O-N 3.18Å
57	I	35.8	Very low	36.1	Very low	134 Å²	134	110.1 Å²	110.1	69%	0.687	65%	0.647	S	S	*	*			trans	-77.6	117.3	176.6	-52.6	179.7	0	0	0	108.3	H55 A59	H55-I57 HydrophobicContact CB-CD1 3.96Å; H55-I57 HydrophobicContact CB-CG1 3.43Å; H55-I57 VanDerWaalsContact CB-CG1 3.43Å; H55-I57 PolarHBondContact O-N 3.08Å; H55-I57 VanDerWaalsContact O-N 3.08Å; I57-A59 PolarHBondContact O-N 3.37Å
58	R	38.4	Very low	37.3	Very low	153 Å²	153	111 Å²	111	58%	0.577	64%	0.641	S	S	*	*			trans	-81.7	110	165.5	-162.7	175	-176	162.9	5.1	108.1	C56 I65	C56-R58 PolarHBondContact O-N 3.18Å; R58-I65 HydrophobicContact CG-CD1 3.97Å; R58-I65 HydrophobicContact CG-CG1 4.21Å
59	A	33.1	Very low	38.4	Very low	67 Å²	67	107.1 Å²	107.1	55%	0.554	64%	0.639	S	S	*	*			trans	-67.7	147	166.6	0	0	0	0	0	109.5	I57	I57-A59 PolarHBondContact O-N 3.37Å
60	D	32.1	Very low	39.5	Very low	151 Å²	151	102.8 Å²	102.8	81%	0.807	63%	0.633	S	S	*	*	S	Bend	trans	-30.8	150.5	-173.6	-76.2	-41.9	0	0	0	117.1	K62 A63	D60-K62 PolarHBondContact O-N 3.48Å; D60-A63 PolarHBondContact O-N 2.76Å
61	N	44.2	Very low	40.5	Very low	153 Å²	153	102.9 Å²	102.9	82%	0.818	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.6	17.3	-173.8	-82.9	-20	0	0	0	120.6
62	K	40.2	Very low	41.1	Very low	214 Å²	214	103.5 Å²	103.5	93%	0.93	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	1.5	176.8	-66.1	-171.8	178.2	-179.9	0	115.6	D60	D60-K62 PolarHBondContact O-N 3.48Å
63	A	40.5	Very low	41.4	Very low	63 Å²	63	107.6 Å²	107.6	52%	0.521	60%	0.604	S	S	.	*	S	Bend	trans	-105.9	138.1	176.7	0	0	0	0	0	112.8	D60	D60-A63 PolarHBondContact O-N 2.76Å
64	A	46	Very low	41.8	Very low	64 Å²	64	110.7 Å²	110.7	53%	0.529	61%	0.609	S	S	.	*			trans	-63.6	134.7	174.9	0	0	0	0	0	110.8
65	I	45.8	Very low	41.9	Very low	61 Å²	61	114.1 Å²	114.1	31%	0.313	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.7	124	178.4	-48.9	177.7	0	0	0	108.5	R58 V67	R58-I65 HydrophobicContact CG-CD1 3.97Å; R58-I65 HydrophobicContact CG-CG1 4.21Å; I65-V67 HydrophobicContact CG2-CG2 3.62Å
66	V	44.7	Very low	42	Very low	85 Å²	85	115.6 Å²	115.6	52%	0.515	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	107.1	170.6	176	0	0	0	0	108.6	C70	V66-C70 HydrophobicContact CG1-CB 4.01Å
67	V	42.2	Very low	42.1	Very low	63 Å²	63	119.1 Å²	119.1	38%	0.382	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	154.7	173	-169.9	0	0	0	0	108.5	I65	I65-V67 HydrophobicContact CG2-CG2 3.62Å
68	H	47.1	Very low	42.5	Very low	146 Å²	146	116.7 Å²	116.7	68%	0.676	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	59	52.1	-179.4	-64.9	-45.4	0	0	0	115.5	C70 T71	H68-C70 VanDerWaalsContact C-N 3.34Å; H68-C70 PolarHBondContact O-N 2.82Å; H68-T71 PolarHBondContact O-N 3.25Å; H68-T71 PolarHBondContact O-OG1 2.8Å; H68-T71 VanDerWaalsContact O-OG1 3.14Å
69	G	49.2	Very low	43.1	Very low	77 Å²	77	116.2 Å²	116.2	79%	0.794	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.2	38.3	166.4	0	0	0	0	0	114.4
70	C	47.8	Very low	44	Very low	109 Å²	109	121.7 Å²	121.7	74%	0.736	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.5	21.3	176.9	-52.6	0	0	0	0	117.2	V66 H68	V66-C70 HydrophobicContact CG1-CB 4.01Å; H68-C70 VanDerWaalsContact C-N 3.34Å; H68-C70 PolarHBondContact O-N 2.82Å
71	T	50.6	Low	45.3	Very low	106 Å²	106	120.1 Å²	120.1	65%	0.65	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-17.9	177.8	56.8	0	0	0	0	115.4	H68	H68-T71 PolarHBondContact O-N 3.25Å; H68-T71 PolarHBondContact O-OG1 2.8Å; H68-T71 VanDerWaalsContact O-OG1 3.14Å
72	E	42.2	Very low	46.3	Very low	88 Å²	88	115.5 Å²	115.5	41%	0.411	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.1	137.5	-173.5	-61.4	-177.8	164.9	0	0	112.8	Y74	E72-Y74 HydrophobicContact CB-CE2 3.95Å; E72-Y74 PolarHBondContact OE2-OH 3.05Å
73	E	38.8	Very low	47.8	Very low	162 Å²	162	111.2 Å²	111.2	76%	0.757	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.1	138.1	174.3	63.1	179.4	174.2	0	0	110.5
74	Y	45.4	Very low	49.6	Very low	136 Å²	136	109.7 Å²	109.7	53%	0.533	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.2	139.1	-178	-69.4	-77.3	0	0	0	113.2	E72	E72-Y74 HydrophobicContact CB-CE2 3.95Å; E72-Y74 PolarHBondContact OE2-OH 3.05Å
75	Q	41.6	Very low	51.3	Low	182 Å²	182	108.3 Å²	108.3	85%	0.85	59%	0.592	S	S	*	*			trans	-123.8	112.3	-176.3	-147.5	174.7	30.6	0	0	109.3
76	T	37.2	Very low	53.1	Low	129 Å²	129	107.2 Å²	107.2	79%	0.791	59%	0.587	S	S	*	*			trans	63.6	141.4	167.9	28.8	0	0	0	0	117.2
77	L	40.5	Very low	55	Low	158 Å²	158	105.2 Å²	105.2	83%	0.827	57%	0.571	S	S	*	*			cis	-155.3	150.3	24.8	-94.4	134.5	0	0	0	110.2
78	A	45.3	Very low	56.9	Low	84 Å²	84	106.7 Å²	106.7	69%	0.694	57%	0.574	S	S	*	*			trans	46.6	77.8	145.7	0	0	0	0	0	118.7
79	D	50.5	Low	58.1	Low	142 Å²	142	102.4 Å²	102.4	76%	0.759	56%	0.555	S	S	*	*				-169.7	133.5	120.8	-83.5	-26.6	0	0	0	104.7	L81	D79-L81 PolarHBondContact O-N 2.96Å
80	E	52.3	Low	59.2	Low	182 Å²	182	99.5 Å²	99.5	85%	0.85	53%	0.525	S	S	*	.			trans	-62.7	92.9	172	-70.7	178.4	173.1	0	0	107.3
81	L	59.2	Low	60.3	Low	118 Å²	118	99.9 Å²	99.9	62%	0.618	53%	0.526	S	S	*	.			trans	-54.8	131.1	171.1	-75.3	166.3	0	0	0	107.3	D79 A222	D79-L81 PolarHBondContact O-N 2.96Å; L81-A222 HydrophobicContact CD2-CB 3.91Å
82	P	65.3	Low	61.5	Low	56 Å²	56	102.4 Å²	102.4	36%	0.364	54%	0.536	S	S	.	.			trans	-57.9	143.7	-176	23.1	-32.7	0	0	0	110.2	I84 A222	P82-I84 WeakPolarHBondContact O-CG1 3.48Å; P82-I84 PolarHBondContact O-N 3.22Å; P82-I84 VanDerWaalsContact O-N 3.09Å; P82-A222 HydrophobicContact CG-CB 4.4Å
83	E	70.9	Confident	63.2	Low	125 Å²	125	99.7 Å²	99.7	58%	0.584	52%	0.524	S	S	*	.			trans	-64.7	110.9	174.1	-173.4	-177.9	172	0	0	109.2
84	I	79	Confident	65.2	Low	30 Å²	30	96.6 Å²	96.6	15%	0.154	51%	0.511	C	S	.	.			trans	-91.3	109.6	-179.8	-51.4	-179.6	0	0	0	109	P82 M86 P97 I219 A222 K223	P82-I84 WeakPolarHBondContact O-CG1 3.48Å; P82-I84 PolarHBondContact O-N 3.22Å; P82-I84 VanDerWaalsContact O-N 3.09Å; I84-M86 HydrophobicContact CG2-SD 4.15Å; I84-P97 HydrophobicContact CG2-CB 3.77Å; I84-I219 HydrophobicContact CD1-CG2 4.4Å; I84-I219 HydrophobicContact CG2-CG2 4.21Å; I84-A222 HydrophobicContact CD1-CB 3.88Å; I84-K223 HydrophobicContact CD1-CG 3.8Å
85	I	81.2	Confident	67	Low	35 Å²	35	91.6 Å²	91.6	18%	0.179	50%	0.498	C	S	.	.			trans	-87.1	119.5	175	-64.8	166.4	0	0	0	108.8	K87 M98	I85-K87 HydrophobicContact CG2-CG 4.14Å; I85-M98 HydrophobicContact CG2-CG 4.42Å; I85-M98 PolarHBondContact O-N 3.38Å
86	M	83.3	Confident	69.1	Low	39 Å²	39	83 Å²	83	19%	0.192	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.6	176.2	-62.8	-69.7	-69.9	0	0	109.5	I84 A95 H96 P97 K223	I84-M86 HydrophobicContact CG2-SD 4.15Å; M86-A95 WeakPolarHBondContact CE-O 3.34Å; M86-H96 WeakPolarHBondContact CA-O 3.41Å; M86-P97 VanDerWaalsContact SD-CA 3.51Å; M86-P97 HydrophobicContact SD-CB 3.74Å; M86-P97 HydrophobicContact SD-CG 4.37Å; M86-P97 VanDerWaalsContact SD-N 3.38Å; M86-K223 VanDerWaalsContact CE-NZ 3.32Å; M86-K223 PolarHBondContact SD-NZ 3.13Å
87	K	84.2	Confident	71.4	Confident	43 Å²	43	76.9 Å²	76.9	19%	0.187	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.3	174.3	-64.4	-169.2	176.7	-176.4	0	110.9	I85 A95 H96 M98 F188 D189	I85-K87 HydrophobicContact CG2-CG 4.14Å; K87-A95 CarbonylContact O-C 3.27Å; K87-A95 WeakPolarHBondContact O-CA 3.36Å; K87-H96 PolarHBondContact N-O 2.82Å; K87-H96 PolarHBondContact O-N 3.31Å; K87-M98 HydrophobicContact CB-CE 3.98Å; K87-M98 HydrophobicContact CB-CG 4.04Å; K87-M98 HydrophobicContact CB-SD 4.03Å; K87-M98 HydrophobicContact CD-CG 4.1Å; K87-M98 HydrophobicContact CD-SD 4.28Å; K87-M98 HydrophobicContact CG-CG 3.89Å; K87-M98 HydrophobicContact CG-SD 4.36Å; K87-F188 HydrophobicContact CB-CD1 4.37Å; K87-F188 HydrophobicContact CB-CD2 4.11Å; K87-F188 HydrophobicContact CB-CE1 3.91Å; K87-F188 HydrophobicContact CB-CE2 3.57Å; K87-F188 HydrophobicContact CB-CG 4.47Å; K87-F188 HydrophobicContact CB-CZ 3.47Å; K87-F188 VanDerWaalsContact CB-CZ 3.47Å; K87-F188 HydrophobicContact CD-CD1 3.35Å; K87-F188 HydrophobicContact CD-CD2 4.26Å; K87-F188 HydrophobicContact CD-CE1 3.45Å; K87-F188 VanDerWaalsContact CD-CE1 3.45Å; K87-F188 HydrophobicContact CD-CE2 4.31Å; K87-F188 HydrophobicContact CD-CG 3.79Å; K87-F188 HydrophobicContact CD-CZ 3.94Å; K87-F188 HydrophobicContact CG-CE1 4.31Å; K87-F188 HydrophobicContact CG-CZ 4.36Å; K87-D189 IonicContact NZ-OD1 2.98Å; K87-D189 PolarHBondContact NZ-OD1 3.45Å; K87-D189 IonicContact NZ-OD2 3.85Å
88	Q	82.1	Confident	73.7	Confident	93 Å²	93	69.5 Å²	69.5	44%	0.435	38%	0.382	S	S	.	.			trans	-128	131.3	173.7	67.3	-174.7	27.2	0	0	109.4	A95 F188	Q88-A95 HydrophobicContact CB-CB 4.07Å; Q88-F188 WeakPolarHBondContact O-CZ 3.45Å
89	I	73	Confident	75.8	Confident	56 Å²	56	65.5 Å²	65.5	29%	0.287	35%	0.349	S	S	.	.	S	Bend	trans	-70.4	-47.7	-177	-63.4	-177.3	0	0	0	111.1	F188 I191 Y231 F237	I89-F188 HydrophobicContact CB-CE2 4.47Å; I89-F188 HydrophobicContact CD1-CE2 4.46Å; I89-F188 HydrophobicContact CG1-CD2 4.16Å; I89-F188 HydrophobicContact CG1-CE2 3.45Å; I89-F188 VanDerWaalsContact CG1-CE2 3.45Å; I89-F188 HydrophobicContact CG1-CZ 3.94Å; I89-I191 HydrophobicContact CD1-CD1 3.45Å; I89-I191 VanDerWaalsContact CD1-CD1 3.45Å; I89-Y231 HydrophobicContact CD1-CE1 3.66Å; I89-Y231 HydrophobicContact CD1-CE2 3.88Å; I89-Y231 WeakPolarHBondContact CD1-OH 3.48Å; I89-Y231 WeakPolarHBondContact CG1-OH 3.47Å; I89-F237 HydrophobicContact CD1-CE1 4.21Å; I89-F237 HydrophobicContact CG2-CZ 4.45Å
90	G	72.2	Confident	77.5	Confident	16 Å²	16	61.2 Å²	61.2	17%	0.165	33%	0.326	C	S	.	.	S	Bend	trans	-116.3	159.4	180	0	0	0	0	0	112.2	N92 M93	G90-N92 PolarHBondContact O-N 2.93Å; G90-M93 PolarHBondContact O-N 2.91Å; G90-M93 VanDerWaalsContact O-N 3.15Å
91	P	72.1	Confident	79	Confident	117 Å²	117	53.3 Å²	53.3	76%	0.76	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23	179	25.2	-33.8	0	0	0	113.7
92	N	75.1	Confident	80.4	Confident	160 Å²	160	54.1 Å²	54.1	86%	0.856	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	9	179.6	-63.7	-10.4	0	0	0	113.2	G90	G90-N92 PolarHBondContact O-N 2.93Å
93	M	77.5	Confident	81.6	Confident	31 Å²	31	53.2 Å²	53.2	15%	0.153	28%	0.281	C	S	.	.	S	Bend	trans	-99.6	154.8	-175.1	-58.8	-65.4	-77.8	0	0	110.7	G90 A95 Y231 F237 Q240	G90-M93 PolarHBondContact O-N 2.91Å; G90-M93 VanDerWaalsContact O-N 3.15Å; M93-A95 PolarHBondContact O-N 3.05Å; M93-Y231 HydrophobicContact CE-CE1 4.49Å; M93-F237 HydrophobicContact CE-CB 3.84Å; M93-F237 HydrophobicContact CE-CD1 3.91Å; M93-F237 HydrophobicContact CE-CG 4.26Å; M93-F237 HydrophobicContact SD-CB 4.19Å; M93-Q240 VanDerWaalsContact CE-C 3.45Å; M93-Q240 HydrophobicContact CE-CB 3.83Å; M93-Q240 WeakPolarHBondContact CE-O 3.41Å
94	I	80.8	Confident	82.5	Confident	96 Å²	96	47.3 Å²	47.3	49%	0.492	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-69.5	129.4	176.7	-59.9	168.4	0	0	0	109.1	H96 Y229	I94-H96 PolarHBondContact O-N 2.77Å; I94-Y229 HydrophobicContact CG2-CE1 4.35Å
95	A	83.8	Confident	83.1	Confident	31 Å²	31	45.9 Å²	45.9	26%	0.256	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-69.4	123.1	168.6	0	0	0	0	0	109.4	M86 K87 Q88 M93	M86-A95 WeakPolarHBondContact CE-O 3.34Å; K87-A95 CarbonylContact O-C 3.27Å; K87-A95 WeakPolarHBondContact O-CA 3.36Å; Q88-A95 HydrophobicContact CB-CB 4.07Å; M93-A95 PolarHBondContact O-N 3.05Å
96	H	85.6	Confident	83.4	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	159.6	-174.7	72	91.3	0	0	0	110.6	M86 K87 I94 M98 Y229 Y231 P241	M86-H96 WeakPolarHBondContact CA-O 3.41Å; K87-H96 PolarHBondContact N-O 2.82Å; K87-H96 PolarHBondContact O-N 3.31Å; I94-H96 PolarHBondContact O-N 2.77Å; H96-M98 WeakPolarHBondContact CE1-CE 3.44Å; H96-M98 VanDerWaalsContact ND1-CE 3.34Å; H96-M98 WeakPolarHBondContact ND1-CE 3.36Å; H96-M98 VanDerWaalsContact O-CE 3.24Å; H96-M98 WeakPolarHBondContact O-CE 3.45Å; H96-Y229 HydrophobicContact CB-CD1 4.12Å; H96-Y229 HydrophobicContact CB-CD2 3.73Å; H96-Y229 HydrophobicContact CB-CE2 4.31Å; H96-Y229 HydrophobicContact CB-CG 3.61Å; H96-Y231 PolarHBondContact CD2-OH 2.79Å; H96-Y231 AromaticContact CE1-CE2 3.66Å; H96-Y231 AromaticContact NE2-CE2 3.46Å; H96-Y231 WeakPolarHBondContact NE2-CE2 3.36Å; H96-Y231 AromaticContact NE2-CZ 3.45Å; H96-Y231 PolarHBondContact NE2-OH 2.89Å; H96-P241 HydrophobicContact CB-CG 4.36Å
97	P	86.5	Confident	83.6	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.8	-176.4	29	-31.1	0	0	0	111.5	I84 M86 I219 F228 Y229	I84-P97 HydrophobicContact CG2-CB 3.77Å; M86-P97 VanDerWaalsContact SD-CA 3.51Å; M86-P97 HydrophobicContact SD-CB 3.74Å; M86-P97 HydrophobicContact SD-CG 4.37Å; M86-P97 VanDerWaalsContact SD-N 3.38Å; P97-I219 HydrophobicContact CB-CG2 3.59Å; P97-I219 HydrophobicContact CG-CG2 3.81Å; P97-F228 HydrophobicContact CB-CE2 4.3Å; P97-F228 HydrophobicContact CG-CD2 4.13Å; P97-F228 HydrophobicContact CG-CE2 3.68Å; P97-F228 HydrophobicContact CG-CZ 4.36Å; P97-Y229 HydrophobicContact CG-CD2 4.33Å
98	M	88.7	Confident	83.4	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-98.2	137.1	178.2	-61.4	-65	106.1	0	0	111.6	I85 K87 H96 G101 F188 I219	I85-M98 HydrophobicContact CG2-CG 4.42Å; I85-M98 PolarHBondContact O-N 3.38Å; K87-M98 HydrophobicContact CB-CE 3.98Å; K87-M98 HydrophobicContact CB-CG 4.04Å; K87-M98 HydrophobicContact CB-SD 4.03Å; K87-M98 HydrophobicContact CD-CG 4.1Å; K87-M98 HydrophobicContact CD-SD 4.28Å; K87-M98 HydrophobicContact CG-CG 3.89Å; K87-M98 HydrophobicContact CG-SD 4.36Å; H96-M98 WeakPolarHBondContact CE1-CE 3.44Å; H96-M98 VanDerWaalsContact ND1-CE 3.34Å; H96-M98 WeakPolarHBondContact ND1-CE 3.36Å; H96-M98 VanDerWaalsContact O-CE 3.24Å; H96-M98 WeakPolarHBondContact O-CE 3.45Å; M98-G101 PolarHBondContact O-N 3.1Å; M98-F188 HydrophobicContact CE-CD2 3.8Å; M98-F188 HydrophobicContact CE-CE2 4.08Å; M98-F188 HydrophobicContact SD-CB 3.82Å; M98-F188 HydrophobicContact SD-CD2 3.31Å; M98-F188 WeakPolarHBondContact SD-CD2 3.37Å; M98-F188 HydrophobicContact SD-CE2 4.07Å; M98-F188 HydrophobicContact SD-CG 3.72Å; M98-I219 WeakPolarHBondContact O-CD1 3.35Å
99	I	88.1	Confident	82.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-72.7	128.7	173.9	-54.3	174.9	0	0	0	108.9	G101 K102 Y103 L105 C212 D215 V216 F228	I99-G101 PolarHBondContact O-N 3.47Å; I99-K102 PolarHBondContact O-N 2.93Å; I99-Y103 PolarHBondContact N-O 3.25Å; I99-Y103 WeakPolarHBondContact O-CD2 3.5Å; I99-Y103 PolarHBondContact O-N 3.11Å; I99-L105 HydrophobicContact CD1-CD1 3.71Å; I99-L105 HydrophobicContact CD1-CD2 4.23Å; I99-L105 HydrophobicContact CD1-CG 3.64Å; I99-C212 HydrophobicContact CG2-CB 3.9Å; I99-D215 VanDerWaalsContact CA-OD2 3.3Å; I99-D215 WeakPolarHBondContact CA-OD2 3.4Å; I99-D215 HydrophobicContact CG2-CB 4.26Å; I99-V216 HydrophobicContact CD1-CG2 3.4Å; I99-V216 VanDerWaalsContact CD1-CG2 3.4Å; I99-V216 HydrophobicContact CG1-CG2 3.57Å; I99-V216 HydrophobicContact CG2-CG2 4.47Å; I99-F228 HydrophobicContact CD1-CE1 4Å; I99-F228 HydrophobicContact CD1-CZ 4.16Å; I99-F228 HydrophobicContact CG1-CE1 3.94Å; I99-F228 HydrophobicContact CG1-CZ 3.57Å
100	L	86.8	Confident	81.7	Confident	53 Å²	53	44.1 Å²	44.1	28%	0.277	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	27.9	-174.2	-57.5	174.4	0	0	0	112.6	K102 Y103 M208 K211 D215	L100-K102 PolarHBondContact O-N 3.22Å; L100-Y103 HydrophobicContact CB-CD2 4.09Å; L100-Y103 HydrophobicContact CB-CE2 4.17Å; L100-Y103 HydrophobicContact CD1-CD2 4.32Å; L100-Y103 HydrophobicContact CD1-CE2 4.08Å; L100-M208 HydrophobicContact CD1-SD 4.28Å; L100-K211 HydrophobicContact CD1-CD 3.98Å; L100-K211 HydrophobicContact CD1-CG 4.18Å; L100-K211 HydrophobicContact CD2-CD 4.35Å; L100-K211 HydrophobicContact CD2-CG 4.2Å; L100-D215 HydrophobicContact CD2-CB 3.95Å; L100-D215 HydrophobicContact CG-CB 4.4Å; L100-D215 PolarHBondContact N-OD2 3.46Å
101	G	83.8	Confident	80.4	Confident	16 Å²	16	46.7 Å²	46.7	17%	0.165	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	1.3	-176.8	0	0	0	0	0	116.2	M98 I99	M98-G101 PolarHBondContact O-N 3.1Å; I99-G101 PolarHBondContact O-N 3.47Å
102	K	87.8	Confident	79.1	Confident	134 Å²	134	45.5 Å²	45.5	58%	0.583	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	-25.7	-169.3	-63.8	-174.3	-177.5	-176.7	0	116.1	I99 L100 F188	I99-K102 PolarHBondContact O-N 2.93Å; L100-K102 PolarHBondContact O-N 3.22Å; K102-F188 WeakPolarHBondContact O-CB 3.46Å; K102-F188 PolarHBondContact O-N 2.98Å
103	Y	91.2	Very high	77.4	Confident	37 Å²	37	40 Å²	40	15%	0.145	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	159.9	-168.1	-48.6	-73.6	0	0	0	113.3	I99 L100 V185 R186 E187 M195	I99-Y103 PolarHBondContact N-O 3.25Å; I99-Y103 WeakPolarHBondContact O-CD2 3.5Å; I99-Y103 PolarHBondContact O-N 3.11Å; L100-Y103 HydrophobicContact CB-CD2 4.09Å; L100-Y103 HydrophobicContact CB-CE2 4.17Å; L100-Y103 HydrophobicContact CD1-CD2 4.32Å; L100-Y103 HydrophobicContact CD1-CE2 4.08Å; Y103-V185 HydrophobicContact CD1-CG1 4.24Å; Y103-V185 HydrophobicContact CG-CG1 3.95Å; Y103-R186 CarbonylContact C-O 3.53Å; Y103-R186 WeakPolarHBondContact CA-O 3.29Å; Y103-R186 WeakPolarHBondContact CB-O 3.25Å; Y103-E187 HydrophobicContact CD1-CG 3.81Å; Y103-E187 HydrophobicContact CE1-CG 3.56Å; Y103-M195 HydrophobicContact CD1-CE 3.79Å; Y103-M195 HydrophobicContact CD1-SD 3.47Å; Y103-M195 WeakPolarHBondContact CD1-SD 3.48Å; Y103-M195 HydrophobicContact CE1-CE 3.21Å; Y103-M195 HydrophobicContact CE1-SD 3.55Å; Y103-M195 VanDerWaalsContact CE1-SD 3.55Å; Y103-M195 HydrophobicContact CG-SD 4.48Å
104	C	90.3	Very high	75.4	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	165.4	174.4	60.4	0	0	0	0	110	R186 I191 Y231	C104-R186 PolarHBondContact N-O 3.39Å; C104-R186 PolarHBondContact O-N 2.89Å; C104-R186 PolarHBondContact SG-O 3.13Å; C104-I191 VanDerWaalsContact SG-CD1 3.52Å; C104-Y231 HydrophobicContact CB-CD2 4.33Å; C104-Y231 HydrophobicContact CB-CE2 4.14Å
105	L	90.6	Very high	73.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.8	-178.7	-70.2	167.2	0	0	0	110	I99 L172 A184 V185 V216 F228 F230 Y231	I99-L105 HydrophobicContact CD1-CD1 3.71Å; I99-L105 HydrophobicContact CD1-CD2 4.23Å; I99-L105 HydrophobicContact CD1-CG 3.64Å; L105-L172 HydrophobicContact CD1-CD1 4.13Å; L105-L172 HydrophobicContact CD2-CB 4.36Å; L105-L172 HydrophobicContact CD2-CD1 4.02Å; L105-L172 HydrophobicContact CD2-CG 4.26Å; L105-A184 WeakPolarHBondContact CA-O 3.24Å; L105-V185 HydrophobicContact CD2-CG2 3.77Å; L105-V216 HydrophobicContact CD1-CG2 4.47Å; L105-F228 HydrophobicContact CD1-CD1 4.41Å; L105-F228 HydrophobicContact CD1-CE1 4.3Å; L105-F230 HydrophobicContact CB-CD1 3.6Å; L105-F230 HydrophobicContact CB-CE1 4.03Å; L105-F230 HydrophobicContact CB-CG 4.41Å; L105-F230 HydrophobicContact CD1-CD1 3.78Å; L105-F230 HydrophobicContact CD1-CE1 3.27Å; L105-F230 HydrophobicContact CD1-CZ 3.91Å; L105-F230 HydrophobicContact CG-CD1 4.31Å; L105-F230 HydrophobicContact CG-CE1 4.24Å; L105-Y231 PolarHBondContact O-N 2.92Å
106	V	88.5	Confident	71.2	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.8	-177.6	-179.8	0	0	0	0	109.6	Y183 A184 R186 I191 Y231 I234	V106-Y183 CarbonylContact O-C 3.56Å; V106-Y183 VanDerWaalsContact O-CA 3.32Å; V106-Y183 WeakPolarHBondContact O-CA 3.5Å; V106-A184 PolarHBondContact N-O 2.94Å; V106-A184 PolarHBondContact O-N 3.46Å; V106-R186 HydrophobicContact CB-CG 4Å; V106-R186 HydrophobicContact CG2-CB 4.09Å; V106-R186 HydrophobicContact CG2-CG 3.66Å; V106-I191 HydrophobicContact CG2-CD1 3.83Å; V106-I191 HydrophobicContact CG2-CG1 3.66Å; V106-Y231 CarbonylContact C-O 3.54Å; V106-Y231 WeakPolarHBondContact CA-O 3.43Å; V106-Y231 HydrophobicContact CG2-CD2 4.48Å; V106-I234 HydrophobicContact CB-CG2 4.46Å; V106-I234 HydrophobicContact CG1-CD1 4.18Å; V106-I234 HydrophobicContact CG1-CG1 4.42Å; V106-I234 HydrophobicContact CG1-CG2 3.52Å; V106-I234 HydrophobicContact CG2-CG2 4.05Å
107	R	86.6	Confident	68.9	Low	54 Å²	54	57.7 Å²	57.7	20%	0.204	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	139.2	176.8	-169.4	172.5	174.7	154	-1.9	109.9	S109 D176 L181 Y183 Y231 D232	R107-S109 PolarHBondContact O-N 3.46Å; R107-D176 IonicContact CZ-OD2 3.79Å; R107-D176 IonicContact NH1-OD2 3.32Å; R107-D176 PolarHBondContact NH1-OD2 3.29Å; R107-D176 IonicContact NH2-OD2 2.77Å; R107-L181 VanDerWaalsContact CZ-CD1 3.47Å; R107-Y183 HydrophobicContact CB-CD1 3.82Å; R107-Y183 HydrophobicContact CB-CE1 3.51Å; R107-Y183 HydrophobicContact CG-CE1 4.11Å; R107-Y183 HydrophobicContact CG-CE2 4.46Å; R107-Y183 VanDerWaalsContact N-CD1 3.28Å; R107-Y231 PolarHBondContact N-O 2.9Å; R107-D232 IonicContact NH1-OD2 3.08Å; R107-D232 PolarHBondContact NH1-OD2 3.29Å
108	D	79.9	Confident	66.7	Low	17 Å²	17	69 Å²	69	9%	0.091	36%	0.361	C	S	.	.			trans	-67.3	124.4	171.3	-67	-27.4	0	0	0	110.1	E110 Q143 R167 P182 H340	D108-E110 PolarHBondContact O-N 2.91Å; D108-Q143 WeakPolarHBondContact OD2-CG 3.48Å; D108-R167 IonicContact OD1-CZ 2.72Å; D108-R167 IonicContact OD1-NH1 3.17Å; D108-R167 IonicContact OD1-NH2 3.49Å; D108-R167 PolarHBondContact OD1-NH2 3.43Å; D108-R167 IonicContact OD2-CZ 3.6Å; D108-R167 IonicContact OD2-NH1 2.62Å; D108-R167 PolarHBondContact OD2-NH1 3.27Å; D108-R167 IonicContact OD2-NH2 3.61Å; D108-R167 PolarHBondContact OD2-NH2 3.3Å; D108-P182 HydrophobicContact CB-CG 4.18Å; D108-P182 PolarHBondContact N-O 2.96Å; D108-P182 WeakPolarHBondContact OD2-CB 3.24Å; D108-H340 IonicContact OD1-CD2 2.62Å; D108-H340 IonicContact OD1-NE2 2.63Å; D108-H340 PolarHBondContact OD1-NE2 2.95Å
109	S	64.7	Low	64.3	Low	42 Å²	42	73.1 Å²	73.1	29%	0.294	39%	0.386	S	S	.	.			trans	-74.1	110.8	-180	-45.6	0	0	0	0	110.6	R107 G111	R107-S109 PolarHBondContact O-N 3.46Å; S109-G111 PolarHBondContact O-N 3.39Å
110	E	55	Low	61.8	Low	113 Å²	113	78.7 Å²	78.7	53%	0.528	42%	0.422	S	S	.	.	S	Bend	trans	-66.9	-24.5	171.8	-64.4	-178.6	176.4	0	0	112.2	D108	D108-E110 PolarHBondContact O-N 2.91Å
111	G	44.3	Very low	59.4	Low	69 Å²	69	83.4 Å²	83.4	71%	0.711	45%	0.446	S	S	*	.			trans	-110.8	4.6	-163.6	0	0	0	0	0	117.3	S109 G113	S109-G111 PolarHBondContact O-N 3.39Å; G111-G113 PolarHBondContact O-N 3.18Å
112	D	46.1	Very low	57.2	Low	92 Å²	92	87.4 Å²	87.4	49%	0.492	46%	0.464	S	S	.	.	S	Bend	trans	-64.9	92.1	164.8	-98.9	-9.2	0	0	0	107.1	D114 K341	D112-D114 PolarHBondContact O-N 3.24Å; D112-K341 IonicContact OD2-NZ 3.65Å; D112-K341 PolarHBondContact OD2-NZ 2.94Å
113	G	39	Very low	55.1	Low	46 Å²	46	89.4 Å²	89.4	47%	0.474	48%	0.475	S	S	.	.			trans	-55.1	113.7	-173.7	0	0	0	0	0	110.7	G111 H115	G111-G113 PolarHBondContact O-N 3.18Å; G113-H115 PolarHBondContact O-CD2 3.33Å; G113-H115 PolarHBondContact O-N 3.11Å
114	D	36.5	Very low	52.5	Low	60 Å²	60	96.4 Å²	96.4	32%	0.321	51%	0.509	S	S	.	.			trans	-58.6	79.7	155.2	-80.3	-14.3	0	0	0	108.1	D112 L116 K128 T343	D112-D114 PolarHBondContact O-N 3.24Å; D114-L116 PolarHBondContact O-N 3.28Å; D114-K128 IonicContact OD2-NZ 3.78Å; D114-K128 PolarHBondContact OD2-NZ 3.49Å; D114-T343 WeakPolarHBondContact OD1-CG2 3.49Å; D114-T343 WeakPolarHBondContact OD2-CG2 3.36Å
115	H	40.7	Very low	50.2	Low	177 Å²	177	103 Å²	103	82%	0.819	54%	0.537	S	S	*	.			trans	-70.6	19.7	175.3	-74	-60.7	0	0	0	112.8	G113 L117	G113-H115 PolarHBondContact O-CD2 3.33Å; G113-H115 PolarHBondContact O-N 3.11Å; H115-L117 PolarHBondContact O-N 3.25Å
116	L	35.7	Very low	48.3	Very low	139 Å²	139	110 Å²	110	73%	0.728	57%	0.568	S	S	*	*			trans	-93.7	91.4	176.3	-67.1	172.1	0	0	0	109.9	D114	D114-L116 PolarHBondContact O-N 3.28Å
117	L	35.3	Very low	46.8	Very low	153 Å²	153	111.3 Å²	111.3	80%	0.801	57%	0.574	S	S	*	*	S	Bend	trans	25.1	111.9	145.2	-69.1	157.4	0	0	0	117.3	H115	H115-L117 PolarHBondContact O-N 3.25Å
118	R	41.2	Very low	45.9	Very low	240 Å²	240	112.7 Å²	112.7	91%	0.906	58%	0.582	S	S	*	*			trans	94.9	28.2	152.2	-55.5	179.5	174.8	179.6	-0.1	120.4
119	V	38.5	Very low	45.8	Very low	89 Å²	89	114.9 Å²	114.9	54%	0.539	59%	0.593	S	S	.	*			trans	-116.1	125.7	154.9	-173.6	0	0	0	0	109.2	I121	V119-I121 PolarHBondContact O-N 3.02Å
120	P	35.1	Very low	46.5	Very low	117 Å²	117	113.4 Å²	113.4	76%	0.76	58%	0.581	S	S	*	*			trans	-56.8	125.3	172.7	-20	30.9	0	0	0	109.8	D122	P120-D122 PolarHBondContact O-N 3.33Å
121	I	36	Very low	47.8	Very low	151 Å²	151	113.9 Å²	113.9	77%	0.774	58%	0.582	S	S	*	*			trans	-76.4	106.8	171.5	-57.9	167.7	0	0	0	106.1	V119 E123	V119-I121 PolarHBondContact O-N 3.02Å; I121-E123 PolarHBondContact O-N 3.31Å
122	D	38.7	Very low	49.7	Very low	101 Å²	101	111.1 Å²	111.1	54%	0.54	55%	0.551	S	S	.	*			trans	-71.5	105.2	157.8	-90.3	-19	0	0	0	106.3	P120 H124 K125	P120-D122 PolarHBondContact O-N 3.33Å; D122-H124 PolarHBondContact O-N 2.97Å; D122-K125 HydrophobicContact CB-CB 4.33Å; D122-K125 PolarHBondContact O-N 3.14Å; D122-K125 IonicContact OD2-NZ 3.45Å
123	E	43.5	Very low	51.4	Low	176 Å²	176	111.6 Å²	111.6	82%	0.822	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.5	175.4	-67.4	-179.4	167.7	0	0	113	I121	I121-E123 PolarHBondContact O-N 3.31Å
124	H	37.1	Very low	53.4	Low	183 Å²	183	114 Å²	114	85%	0.847	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-4.2	179.1	-63.7	-48.1	0	0	0	115.4	D122	D122-H124 PolarHBondContact O-N 2.97Å
125	K	41.1	Very low	55.4	Low	140 Å²	140	118.5 Å²	118.5	61%	0.609	57%	0.57	S	S	*	*			trans	-117.2	98.5	172.7	-75.7	178.4	-175	157.9	0	109.6	D122 I127	D122-K125 HydrophobicContact CB-CB 4.33Å; D122-K125 PolarHBondContact O-N 3.14Å; D122-K125 IonicContact OD2-NZ 3.45Å; K125-I127 PolarHBondContact O-N 3.19Å
126	K	51.3	Low	57.5	Low	149 Å²	149	110.5 Å²	110.5	65%	0.648	53%	0.533	S	S	*	.	S	Bend	trans	-56.1	-8.9	174.9	-67.8	-177.5	169.9	-166.3	0	115
127	I	57.5	Low	59.8	Low	29 Å²	29	104.2 Å²	104.2	15%	0.149	50%	0.5	C	S	.	.	S	Bend	trans	-130.2	138.9	-176.1	-72.5	-169.8	0	0	0	112	K125 I129 L141 P144	K125-I127 PolarHBondContact O-N 3.19Å; I127-I129 HydrophobicContact CG2-CG1 4.38Å; I127-L141 HydrophobicContact CG2-CD2 4.26Å; I127-P144 HydrophobicContact CD1-CB 3.94Å
128	K	67.5	Low	62.4	Low	84 Å²	84	96.9 Å²	96.9	37%	0.365	46%	0.462	S	S	.	.			trans	-82.6	121	169.3	-67.7	-176.5	-180	-175.9	0	110.2	D114 M342	D114-K128 IonicContact OD2-NZ 3.78Å; D114-K128 PolarHBondContact OD2-NZ 3.49Å; K128-M342 HydrophobicContact CB-CG 4.19Å
129	I	77	Confident	64.7	Low	63 Å²	63	88.1 Å²	88.1	32%	0.323	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.9	173.4	-50.8	-174.4	0	0	0	108.3	I127 K131 G140 L141	I127-I129 HydrophobicContact CG2-CG1 4.38Å; I129-K131 HydrophobicContact CG2-CG 4.2Å; I129-G140 WeakPolarHBondContact CA-O 3.36Å; I129-L141 HydrophobicContact CB-CD2 4.12Å; I129-L141 HydrophobicContact CD1-CD2 4.07Å; I129-L141 HydrophobicContact CG1-CD2 3.59Å; I129-L141 HydrophobicContact CG2-CD2 3.94Å
130	Q	79	Confident	67.1	Low	11 Å²	11	83.9 Å²	83.9	5%	0.051	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.4	171.1	-168.4	172.5	22.4	0	0	109.9	Y139 G140 M342 L351 F465	Q130-Y139 WeakPolarHBondContact O-CA 3.48Å; Q130-G140 PolarHBondContact N-O 3.41Å; Q130-G140 PolarHBondContact O-N 3.21Å; Q130-M342 HydrophobicContact CB-CE 3.49Å; Q130-M342 VanDerWaalsContact CB-CE 3.49Å; Q130-M342 HydrophobicContact CG-CE 4.34Å; Q130-L351 HydrophobicContact CB-CD1 4.28Å; Q130-L351 HydrophobicContact CG-CD1 4.28Å; Q130-F465 HydrophobicContact CG-CD1 4.09Å; Q130-F465 PolarHBondContact NE2-O 3.19Å
131	K	83.4	Confident	69.7	Low	123 Å²	123	78.4 Å²	78.4	54%	0.535	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.1	177.6	-61.4	-171.8	-179	-171.1	0	109.5	I129 K133 Y139	I129-K131 HydrophobicContact CG2-CG 4.2Å; K131-K133 PolarHBondContact O-N 3.43Å; K131-Y139 HydrophobicContact CD-CD1 4.12Å; K131-Y139 HydrophobicContact CD-CE1 3.8Å; K131-Y139 HydrophobicContact CG-CD1 3.84Å; K131-Y139 HydrophobicContact CG-CE1 3.99Å
132	S	83.7	Confident	72.1	Confident	11 Å²	11	72.4 Å²	72.4	8%	0.077	34%	0.339	C	S	.	.			trans	-63.4	129.9	173.9	171	0	0	0	0	111.2	L134 Q135 L136 D464	S132-L134 PolarHBondContact O-N 3.08Å; S132-L134 PolarHBondContact OG-N 3.15Å; S132-Q135 PolarHBondContact O-N 3.11Å; S132-Q135 PolarHBondContact OG-N 3.29Å; S132-L136 WeakPolarHBondContact OG-CB 3.15Å; S132-L136 PolarHBondContact OG-N 2.92Å; S132-D464 VanDerWaalsContact CB-OD2 3.31Å; S132-D464 WeakPolarHBondContact CB-OD2 3.39Å; S132-D464 VanDerWaalsContact OG-CG 3.25Å; S132-D464 PolarHBondContact OG-OD1 3.22Å; S132-D464 VanDerWaalsContact OG-OD1 3.13Å; S132-D464 PolarHBondContact OG-OD2 3.48Å
133	K	81.3	Confident	74.5	Confident	102 Å²	102	68.4 Å²	68.4	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-32	171.9	-63.2	176.2	-177.4	-166.6	0	111.4	K131 Q135 D464 D466 D467	K131-K133 PolarHBondContact O-N 3.43Å; K133-Q135 PolarHBondContact O-N 2.83Å; K133-D464 WeakPolarHBondContact CA-OD1 3.4Å; K133-D464 WeakPolarHBondContact CB-OD1 3.47Å; K133-D464 WeakPolarHBondContact CG-O 3.17Å; K133-D464 PolarHBondContact N-OD1 3.17Å; K133-D466 IonicContact NZ-OD1 3.96Å; K133-D466 PolarHBondContact NZ-OD1 3.22Å; K133-D467 WeakPolarHBondContact CE-OD1 3.49Å; K133-D467 WeakPolarHBondContact CE-OD2 3.29Å; K133-D467 IonicContact NZ-OD1 3.43Å; K133-D467 PolarHBondContact NZ-OD1 2.79Å; K133-D467 IonicContact NZ-OD2 3.47Å
134	L	80.5	Confident	76.5	Confident	97 Å²	97	60.1 Å²	60.1	51%	0.508	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	12.2	175.1	-65.7	175.3	0	0	0	113.5	S132 L136 D464	S132-L134 PolarHBondContact O-N 3.08Å; S132-L134 PolarHBondContact OG-N 3.15Å; L134-L136 PolarHBondContact O-N 3.28Å; L134-D464 HydrophobicContact CD1-CB 4.47Å; L134-D464 PolarHBondContact N-OD1 2.95Å
135	Q	80.3	Confident	78.9	Confident	154 Å²	154	51.6 Å²	51.6	72%	0.72	24%	0.24	S	C	*	.			trans	57.7	30.6	176.5	-57.5	-176.4	-12.6	0	0	113.8	S132 K133	S132-Q135 PolarHBondContact O-N 3.11Å; S132-Q135 PolarHBondContact OG-N 3.29Å; K133-Q135 PolarHBondContact O-N 2.83Å
136	L	83.4	Confident	81.2	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.047	22%	0.22	C	C	.	.			trans	-72.6	151	169	-62.5	177.6	0	0	0	110.4	S132 L134 L138 H355 L358 Y378	S132-L136 WeakPolarHBondContact OG-CB 3.15Å; S132-L136 PolarHBondContact OG-N 2.92Å; L134-L136 PolarHBondContact O-N 3.28Å; L136-L138 HydrophobicContact CB-CD1 3.99Å; L136-L138 HydrophobicContact CB-CG 4.09Å; L136-L138 HydrophobicContact CD1-CD1 4.1Å; L136-L138 PolarHBondContact O-N 3.38Å; L136-H355 HydrophobicContact CD1-CB 4.34Å; L136-H355 VanDerWaalsContact CD1-CE1 3.47Å; L136-H355 WeakPolarHBondContact CD1-CE1 3.33Å; L136-H355 WeakPolarHBondContact CD1-ND1 3.23Å; L136-L358 HydrophobicContact CB-CD1 4.37Å; L136-Y378 HydrophobicContact CD2-CE1 3.87Å
137	P	85.3	Confident	82.8	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.039	22%	0.215	C	C	.	.	S	Bend	trans	-74.4	58.6	178.5	33.3	-38.2	0	0	0	112.1	I332 H334 F335 L358	P137-I332 HydrophobicContact CG-CG2 3.91Å; P137-H334 HydrophobicContact CB-CB 4.3Å; P137-H334 CarbonylContact O-C 3.12Å; P137-H334 VanDerWaalsContact O-CA 3.29Å; P137-H334 WeakPolarHBondContact O-CA 3.43Å; P137-F335 PolarHBondContact O-N 3.06Å; P137-L358 HydrophobicContact CG-CD1 3.91Å
138	L	89.6	Confident	84.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127	-177.1	-62.6	174	0	0	0	109.5	L136 F335 L351 H355 L358 F465	L136-L138 HydrophobicContact CB-CD1 3.99Å; L136-L138 HydrophobicContact CB-CG 4.09Å; L136-L138 HydrophobicContact CD1-CD1 4.1Å; L136-L138 PolarHBondContact O-N 3.38Å; L138-F335 HydrophobicContact CD2-CB 3.47Å; L138-F335 VanDerWaalsContact CD2-CB 3.47Å; L138-F335 HydrophobicContact CD2-CD2 3.76Å; L138-F335 HydrophobicContact CD2-CG 3.69Å; L138-L351 HydrophobicContact CB-CD2 4.31Å; L138-H355 HydrophobicContact CD1-CB 3.76Å; L138-L358 HydrophobicContact CD1-CD1 4.04Å; L138-L358 HydrophobicContact CD2-CD1 3.45Å; L138-L358 VanDerWaalsContact CD2-CD1 3.45Å; L138-L358 HydrophobicContact CD2-CG 4.31Å; L138-L358 HydrophobicContact CG-CD1 3.63Å; L138-F465 HydrophobicContact CB-CZ 4.04Å; L138-F465 HydrophobicContact CD1-CE2 4.17Å; L138-F465 HydrophobicContact CD1-CZ 3.71Å
139	Y	88.6	Confident	85	Confident	55 Å²	55	42.9 Å²	42.9	22%	0.216	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.2	-178.6	-58.5	-87.8	0	0	0	109.8	Q130 K131 L156 H334 F335 L336 V337	Q130-Y139 WeakPolarHBondContact O-CA 3.48Å; K131-Y139 HydrophobicContact CD-CD1 4.12Å; K131-Y139 HydrophobicContact CD-CE1 3.8Å; K131-Y139 HydrophobicContact CG-CD1 3.84Å; K131-Y139 HydrophobicContact CG-CE1 3.99Å; Y139-L156 HydrophobicContact CE2-CD2 4.3Å; Y139-H334 AromaticContact CE2-CD2 3.91Å; Y139-F335 PolarHBondContact N-O 3.36Å; Y139-L336 CarbonylContact O-C 3.59Å; Y139-L336 WeakPolarHBondContact O-CA 3.44Å; Y139-V337 PolarHBondContact O-N 3.18Å
140	G	89.6	Confident	85.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.4	172.4	0	0	0	0	0	110.7	I129 Q130 V337	I129-G140 WeakPolarHBondContact CA-O 3.36Å; Q130-G140 PolarHBondContact N-O 3.41Å; Q130-G140 PolarHBondContact O-N 3.21Å; G140-V337 CarbonylContact C-O 3.55Å; G140-V337 WeakPolarHBondContact CA-O 3.48Å
141	L	89	Confident	85.9	Confident	3 Å²	3	50 Å²	50	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.3	176.4	-57.2	175.8	0	0	0	110.3	I127 I129 P144 Q152 L336 V337 T338 G339 I347	I127-L141 HydrophobicContact CG2-CD2 4.26Å; I129-L141 HydrophobicContact CB-CD2 4.12Å; I129-L141 HydrophobicContact CD1-CD2 4.07Å; I129-L141 HydrophobicContact CG1-CD2 3.59Å; I129-L141 HydrophobicContact CG2-CD2 3.94Å; L141-P144 HydrophobicContact CD1-CG 4.48Å; L141-Q152 HydrophobicContact CD1-CB 4.43Å; L141-Q152 HydrophobicContact CD1-CG 4Å; L141-L336 HydrophobicContact CD1-CD1 3.61Å; L141-L336 HydrophobicContact CD1-CD2 4.33Å; L141-L336 HydrophobicContact CD1-CG 4.25Å; L141-L336 HydrophobicContact CG-CD1 3.88Å; L141-V337 PolarHBondContact N-O 3.22Å; L141-T338 HydrophobicContact CB-CG2 4.26Å; L141-T338 HydrophobicContact CD1-CG2 4.33Å; L141-T338 WeakPolarHBondContact O-CA 3.47Å; L141-G339 PolarHBondContact O-N 3.07Å; L141-I347 VanDerWaalsContact O-CD1 3.24Å; L141-I347 WeakPolarHBondContact O-CD1 3.42Å
142	S	86.6	Confident	85.9	Confident	24 Å²	24	46.1 Å²	46.1	17%	0.168	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	163.2	156.9	57.4	0	0	0	0	110.2	P144 G339	S142-P144 WeakPolarHBondContact O-CD 3.28Å; S142-G339 CarbonylContact C-O 3.53Å
143	Q	88.3	Confident	86	Confident	18 Å²	18	45.6 Å²	45.6	8%	0.084	21%	0.211	C	C	.	.	S	Bend	trans	-47	110.4	-171.1	179.8	67	56.3	0	0	111.1	D108 P182 G339 H340	D108-Q143 WeakPolarHBondContact OD2-CG 3.48Å; Q143-P182 HydrophobicContact CG-CB 3.68Å; Q143-P182 HydrophobicContact CG-CG 3.6Å; Q143-G339 VanDerWaalsContact CA-O 3.24Å; Q143-G339 WeakPolarHBondContact CA-O 3.46Å; Q143-G339 PolarHBondContact N-O 2.94Å; Q143-H340 PolarHBondContact N-O 2.86Å
144	P	86.3	Confident	86.1	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	21%	0.211	C	C	.	.			trans	-90.1	154.1	-177.5	34.5	-33.2	0	0	0	111.7	I127 L141 S142 Q148 I149 T338	I127-P144 HydrophobicContact CD1-CB 3.94Å; L141-P144 HydrophobicContact CD1-CG 4.48Å; S142-P144 WeakPolarHBondContact O-CD 3.28Å; P144-Q148 HydrophobicContact CB-CB 4.27Å; P144-I149 HydrophobicContact CB-CD1 4.42Å; P144-I149 HydrophobicContact CB-CG1 3.66Å; P144-I149 HydrophobicContact CG-CD1 3.81Å; P144-I149 HydrophobicContact CG-CG1 3.31Å; P144-T338 HydrophobicContact CG-CG2 4.06Å
145	S	87.1	Confident	86.1	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.035	21%	0.209	C	C	.	.			trans	-78.2	168.6	167.2	74.5	0	0	0	0	111.6	E147 Q148 I149 D179 W180	S145-E147 PolarHBondContact O-N 3.28Å; S145-Q148 PolarHBondContact O-N 3.02Å; S145-Q148 WeakPolarHBondContact OG-CG 3.39Å; S145-Q148 PolarHBondContact OG-N 3.25Å; S145-Q148 PolarHBondContact OG-OE1 3.21Å; S145-I149 VanDerWaalsContact O-CG1 3.29Å; S145-I149 WeakPolarHBondContact O-CG1 3.43Å; S145-I149 PolarHBondContact O-N 3.35Å; S145-D179 WeakPolarHBondContact CB-OD2 3.07Å; S145-D179 PolarHBondContact OG-OD2 3.22Å; S145-W180 WeakPolarHBondContact CB-O 3.34Å
146	Y	89	Confident	85.9	Confident	47 Å²	47	37.8 Å²	37.8	18%	0.184	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-48	-179.8	175	-101.4	0	0	0	112.8	Q148 I149 K150 D179 W180 V258 G261 A262	Y146-Q148 VanDerWaalsContact C-N 3.25Å; Y146-Q148 PolarHBondContact O-N 2.92Å; Y146-I149 PolarHBondContact O-N 3.39Å; Y146-K150 HydrophobicContact CE1-CD 4.09Å; Y146-K150 WeakPolarHBondContact O-CB 3.15Å; Y146-K150 PolarHBondContact O-N 2.77Å; Y146-D179 PolarHBondContact N-OD1 3.07Å; Y146-W180 AromaticContact CD1-CD1 3.9Å; Y146-W180 AromaticContact CG-CD1 3.96Å; Y146-W180 PolarHBondContact N-O 2.98Å; Y146-V258 HydrophobicContact CD2-CG1 3.96Å; Y146-G261 PolarHBondContact OH-O 3.34Å; Y146-A262 HydrophobicContact CE2-CB 4.21Å
147	E	85.9	Confident	84.9	Confident	119 Å²	119	43.7 Å²	43.7	56%	0.556	21%	0.207	S	C	*	.	H	α-helix	trans	-62.1	-35.7	179.3	-71.1	-157.5	147.5	0	0	112.4	S145 K150 K151 D179	S145-E147 PolarHBondContact O-N 3.28Å; E147-K150 PolarHBondContact O-N 3.22Å; E147-K151 WeakPolarHBondContact O-CB 3.26Å; E147-K151 PolarHBondContact O-N 3.45Å; E147-D179 WeakPolarHBondContact CG-OD1 3.24Å; E147-D179 PolarHBondContact N-OD1 3.48Å
148	Q	84.5	Confident	83.6	Confident	52 Å²	52	51.7 Å²	51.7	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-71.4	-44.1	179.8	-67.9	164.2	-6.6	0	0	112.1	P144 S145 Y146 K150 K151 Q152	P144-Q148 HydrophobicContact CB-CB 4.27Å; S145-Q148 PolarHBondContact O-N 3.02Å; S145-Q148 WeakPolarHBondContact OG-CG 3.39Å; S145-Q148 PolarHBondContact OG-N 3.25Å; S145-Q148 PolarHBondContact OG-OE1 3.21Å; Y146-Q148 VanDerWaalsContact C-N 3.25Å; Y146-Q148 PolarHBondContact O-N 2.92Å; Q148-K150 VanDerWaalsContact C-N 3.29Å; Q148-K150 PolarHBondContact O-N 2.86Å; Q148-K151 PolarHBondContact O-N 3.32Å; Q148-Q152 WeakPolarHBondContact O-CG 3.49Å; Q148-Q152 PolarHBondContact O-N 3.3Å
149	I	87.7	Confident	82.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-49.6	171.9	-64.5	163.9	0	0	0	108.7	P144 S145 Y146 K151 Q152 I153 V258 Y259 A262	P144-I149 HydrophobicContact CB-CD1 4.42Å; P144-I149 HydrophobicContact CB-CG1 3.66Å; P144-I149 HydrophobicContact CG-CD1 3.81Å; P144-I149 HydrophobicContact CG-CG1 3.31Å; S145-I149 VanDerWaalsContact O-CG1 3.29Å; S145-I149 WeakPolarHBondContact O-CG1 3.43Å; S145-I149 PolarHBondContact O-N 3.35Å; Y146-I149 PolarHBondContact O-N 3.39Å; I149-K151 VanDerWaalsContact C-N 3.3Å; I149-K151 PolarHBondContact O-N 3.35Å; I149-Q152 PolarHBondContact O-N 3.17Å; I149-I153 HydrophobicContact CG2-CD1 3.48Å; I149-I153 VanDerWaalsContact CG2-CD1 3.48Å; I149-I153 HydrophobicContact CG2-CG1 4.09Å; I149-I153 VanDerWaalsContact O-CG1 3.24Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 3.07Å; I149-V258 HydrophobicContact CD1-CG1 3.98Å; I149-Y259 HydrophobicContact CD1-CD1 3.91Å; I149-Y259 HydrophobicContact CD1-CE1 3.6Å; I149-Y259 HydrophobicContact CD1-CE2 4.37Å; I149-Y259 HydrophobicContact CD1-CG 4.43Å; I149-Y259 HydrophobicContact CG1-CE1 4.14Å; I149-Y259 HydrophobicContact CG2-CD1 4.2Å; I149-Y259 HydrophobicContact CG2-CE1 4.43Å; I149-A262 HydrophobicContact CB-CB 4.21Å; I149-A262 HydrophobicContact CG2-CB 3.54Å
150	K	87.3	Confident	82.2	Confident	93 Å²	93	53.2 Å²	53.2	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-58.4	-42.2	-179.5	-171.4	174.1	-176.8	172.8	0	111.9	Y146 E147 Q148 N154 A262	Y146-K150 HydrophobicContact CE1-CD 4.09Å; Y146-K150 WeakPolarHBondContact O-CB 3.15Å; Y146-K150 PolarHBondContact O-N 2.77Å; E147-K150 PolarHBondContact O-N 3.22Å; Q148-K150 VanDerWaalsContact C-N 3.29Å; Q148-K150 PolarHBondContact O-N 2.86Å; K150-N154 WeakPolarHBondContact O-CB 3.49Å; K150-N154 PolarHBondContact O-N 2.57Å; K150-N154 PolarHBondContact O-ND2 3Å; K150-N154 PolarHBondContact O-OD1 3.17Å; K150-A262 HydrophobicContact CB-CB 4.37Å
151	K	86.5	Confident	82	Confident	130 Å²	130	53.3 Å²	53.3	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-61.6	-51.4	174.4	-176.3	179.2	179.5	177.4	0	112	E147 Q148 I149 I153 N154 D155	E147-K151 WeakPolarHBondContact O-CB 3.26Å; E147-K151 PolarHBondContact O-N 3.45Å; Q148-K151 PolarHBondContact O-N 3.32Å; I149-K151 VanDerWaalsContact C-N 3.3Å; I149-K151 PolarHBondContact O-N 3.35Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 2.98Å; K151-N154 WeakPolarHBondContact O-CA 3.29Å; K151-N154 WeakPolarHBondContact O-CB 3.46Å; K151-N154 PolarHBondContact O-N 3.22Å; K151-D155 VanDerWaalsContact O-CG 3.3Å; K151-D155 PolarHBondContact O-N 3.27Å
152	Q	84.3	Confident	82	Confident	42 Å²	42	53.2 Å²	53.2	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-41	-179.9	-68.6	-62.1	-34.7	0	0	112.1	L141 Q148 I149 N154 D155 L156	L141-Q152 HydrophobicContact CD1-CB 4.43Å; L141-Q152 HydrophobicContact CD1-CG 4Å; Q148-Q152 WeakPolarHBondContact O-CG 3.49Å; Q148-Q152 PolarHBondContact O-N 3.3Å; I149-Q152 PolarHBondContact O-N 3.17Å; Q152-N154 VanDerWaalsContact C-N 3.28Å; Q152-N154 PolarHBondContact O-N 3.15Å; Q152-D155 PolarHBondContact O-N 3.41Å; Q152-L156 WeakPolarHBondContact O-CG 3.4Å; Q152-L156 PolarHBondContact O-N 3.26Å
153	I	84.9	Confident	82.2	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-26.6	175.6	-56.9	177.5	0	0	0	110.7	I149 K151 V163 A262 I263 K266 I269 L336	I149-I153 HydrophobicContact CG2-CD1 3.48Å; I149-I153 VanDerWaalsContact CG2-CD1 3.48Å; I149-I153 HydrophobicContact CG2-CG1 4.09Å; I149-I153 VanDerWaalsContact O-CG1 3.24Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 3.07Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 2.98Å; I153-V163 HydrophobicContact CD1-CG2 4.26Å; I153-A262 HydrophobicContact CD1-CB 4.06Å; I153-I263 HydrophobicContact CD1-CG1 3.85Å; I153-K266 HydrophobicContact CG2-CD 3.44Å; I153-K266 VanDerWaalsContact CG2-CD 3.44Å; I153-K266 PolarHBondContact O-NZ 3.49Å; I153-I269 HydrophobicContact CG2-CD1 3.39Å; I153-L336 HydrophobicContact CG1-CD2 4.23Å
154	N	84.6	Confident	82.5	Confident	82 Å²	82	51.3 Å²	51.3	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-74.7	-35.6	175.5	-76.5	-17.3	0	0	0	112.1	K150 K151 Q152 L156 K266	K150-N154 WeakPolarHBondContact O-CB 3.49Å; K150-N154 PolarHBondContact O-N 2.57Å; K150-N154 PolarHBondContact O-ND2 3Å; K150-N154 PolarHBondContact O-OD1 3.17Å; K151-N154 WeakPolarHBondContact O-CA 3.29Å; K151-N154 WeakPolarHBondContact O-CB 3.46Å; K151-N154 PolarHBondContact O-N 3.22Å; Q152-N154 VanDerWaalsContact C-N 3.28Å; Q152-N154 PolarHBondContact O-N 3.15Å; N154-L156 PolarHBondContact O-N 3.45Å; N154-K266 VanDerWaalsContact N-NZ 3.15Å; N154-K266 WeakPolarHBondContact OD1-CE 3.39Å; N154-K266 PolarHBondContact OD1-NZ 3.3Å
155	D	79.6	Confident	82.9	Confident	88 Å²	88	51.4 Å²	51.4	47%	0.471	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-22.1	175.4	-65.5	-16.5	0	0	0	111.5	K151 Q152 H157	K151-D155 VanDerWaalsContact O-CG 3.3Å; K151-D155 PolarHBondContact O-N 3.27Å; Q152-D155 PolarHBondContact O-N 3.41Å; D155-H157 PolarHBondContact O-N 2.95Å; D155-H157 VanDerWaalsContact O-N 3.15Å
156	L	75.8	Confident	83.2	Confident	20 Å²	20	51.2 Å²	51.2	11%	0.105	24%	0.241	C	C	.	.	S	Bend	trans	-80.7	82.7	170.2	-61.2	172.6	0	0	0	110.2	Y139 Q152 N154 H158 C161 H334	Y139-L156 HydrophobicContact CE2-CD2 4.3Å; Q152-L156 WeakPolarHBondContact O-CG 3.4Å; Q152-L156 PolarHBondContact O-N 3.26Å; N154-L156 PolarHBondContact O-N 3.45Å; L156-H158 VanDerWaalsContact C-N 3.27Å; L156-H158 PolarHBondContact O-N 2.82Å; L156-C161 HydrophobicContact CD1-CB 4.22Å; L156-H334 HydrophobicContact CD2-CB 4.44Å; L156-H334 VanDerWaalsContact CD2-CD2 3.41Å; L156-H334 WeakPolarHBondContact CD2-CD2 3.35Å
157	H	62.6	Low	83.3	Confident	132 Å²	132	49.1 Å²	49.1	61%	0.611	23%	0.232	S	C	*	.			trans	-62.9	70.4	-177.9	-60.8	-51.1	0	0	0	114.8	D155	D155-H157 PolarHBondContact O-N 2.95Å; D155-H157 VanDerWaalsContact O-N 3.15Å
158	H	57.4	Low	83.6	Confident	174 Å²	174	43.7 Å²	43.7	81%	0.806	21%	0.208	S	C	*	.	S	Bend	trans	76.3	18.7	174.7	-56.3	-69.5	0	0	0	118	L156	L156-H158 VanDerWaalsContact C-N 3.27Å; L156-H158 PolarHBondContact O-N 2.82Å
159	N	69.5	Low	83.9	Confident	43 Å²	43	41.2 Å²	41.2	23%	0.23	20%	0.196	C	C	.	.			trans	-77.2	143	172.1	-68.1	-25.8	0	0	0	111.4	C161 H334	N159-C161 PolarHBondContact O-N 3.15Å; N159-H334 WeakPolarHBondContact CB-ND1 3.25Å; N159-H334 PolarHBondContact ND2-CE1 3.3Å; N159-H334 PolarHBondContact ND2-NE2 2.73Å
160	K	79.5	Confident	84.2	Confident	44 Å²	44	41.4 Å²	41.4	19%	0.191	20%	0.198	C	C	.	.			trans	-56.1	129.5	167.8	-67.1	-174.5	-175.8	-178.3	0	108.3	G268 D300 S301 P333 H334	K160-G268 VanDerWaalsContact CA-O 3.31Å; K160-G268 WeakPolarHBondContact CA-O 3.45Å; K160-D300 VanDerWaalsContact NZ-C 3.29Å; K160-D300 PolarHBondContact NZ-O 3.21Å; K160-S301 PolarHBondContact NZ-OG 3.23Å; K160-P333 CarbonylContact O-C 3.5Å; K160-P333 WeakPolarHBondContact O-CA 3.39Å; K160-H334 PolarHBondContact O-N 2.97Å
161	C	84.8	Confident	84.4	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.3	-175.6	-175	0	0	0	0	111.3	L156 N159 G268 I269 R270 H334	L156-C161 HydrophobicContact CD1-CB 4.22Å; N159-C161 PolarHBondContact O-N 3.15Å; C161-G268 PolarHBondContact N-O 3.02Å; C161-G268 VanDerWaalsContact N-O 3.13Å; C161-I269 HydrophobicContact CB-CB 4.49Å; C161-I269 HydrophobicContact CB-CD1 4.38Å; C161-I269 HydrophobicContact CB-CG1 4.03Å; C161-I269 HydrophobicContact CB-CG2 4.13Å; C161-I269 CarbonylContact O-C 3.28Å; C161-I269 VanDerWaalsContact O-CA 3.23Å; C161-I269 WeakPolarHBondContact O-CA 3.38Å; C161-R270 PolarHBondContact O-N 2.97Å; C161-H334 CarbonylContact C-O 3.3Å; C161-H334 VanDerWaalsContact CA-O 3.26Å; C161-H334 WeakPolarHBondContact CA-O 3.29Å; C161-H334 HydrophobicContact CB-CB 4.15Å
162	L	89.4	Confident	84.7	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.6	169.5	-174.6	60.5	0	0	0	108.9	I164 R270 I272 F290 E293 I297 H334 F335 L336	L162-I164 HydrophobicContact CD2-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CG1 4.05Å; L162-I164 HydrophobicContact CG-CD1 4.07Å; L162-I164 HydrophobicContact CG-CG1 3.73Å; L162-R270 HydrophobicContact CD1-CB 4.17Å; L162-I272 HydrophobicContact CD1-CG2 4.15Å; L162-F290 HydrophobicContact CD2-CE2 4.32Å; L162-E293 HydrophobicContact CD1-CB 4.1Å; L162-E293 HydrophobicContact CD1-CG 4.3Å; L162-E293 HydrophobicContact CD2-CB 4.11Å; L162-I297 HydrophobicContact CB-CD1 3.89Å; L162-I297 HydrophobicContact CD1-CD1 4.32Å; L162-I297 HydrophobicContact CD2-CD1 3.88Å; L162-I297 HydrophobicContact CG-CD1 4.24Å; L162-H334 PolarHBondContact N-O 3.43Å; L162-F335 HydrophobicContact CB-CD1 4.49Å; L162-F335 HydrophobicContact CD2-CD1 4.27Å; L162-F335 HydrophobicContact CD2-CE1 3.94Å; L162-F335 WeakPolarHBondContact O-CA 3.14Å; L162-L336 PolarHBondContact O-N 3.47Å
163	V	91.7	Very high	85.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.8	174.7	-174.3	0	0	0	0	108.3	I153 Y259 I263 I269 R270 Y271 I272 L336	I153-V163 HydrophobicContact CD1-CG2 4.26Å; V163-Y259 HydrophobicContact CG1-CD1 3.73Å; V163-Y259 HydrophobicContact CG1-CE1 3.96Å; V163-I263 HydrophobicContact CG2-CD1 4.29Å; V163-I269 HydrophobicContact CG2-CG2 3.91Å; V163-R270 PolarHBondContact N-O 2.66Å; V163-Y271 HydrophobicContact CB-CD2 4.42Å; V163-Y271 HydrophobicContact CG1-CD2 4.23Å; V163-Y271 CarbonylContact O-C 3.59Å; V163-Y271 VanDerWaalsContact O-CA 3.32Å; V163-Y271 WeakPolarHBondContact O-CA 3.27Å; V163-I272 PolarHBondContact O-N 2.87Å; V163-L336 CarbonylContact C-O 3.53Å; V163-L336 WeakPolarHBondContact CA-O 3.27Å; V163-L336 HydrophobicContact CG1-CB 4.47Å; V163-L336 HydrophobicContact CG1-CD2 4.16Å; V163-L336 HydrophobicContact CG1-CG 4.5Å; V163-L336 HydrophobicContact CG2-CB 4.27Å; V163-L336 HydrophobicContact CG2-CD2 4.21Å
164	I	94.3	Very high	85.4	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.8	-172.1	-50.8	173.2	0	0	0	108.1	L162 V166 I272 L274 F290 F335 L336 V337 T338	L162-I164 HydrophobicContact CD2-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CG1 4.05Å; L162-I164 HydrophobicContact CG-CD1 4.07Å; L162-I164 HydrophobicContact CG-CG1 3.73Å; I164-V166 HydrophobicContact CG2-CG1 3.56Å; I164-I272 WeakPolarHBondContact CA-O 3.42Å; I164-I272 HydrophobicContact CB-CG2 4.22Å; I164-I272 HydrophobicContact CG1-CG2 3.91Å; I164-I272 HydrophobicContact CG2-CG2 4.06Å; I164-L274 HydrophobicContact CG2-CD1 3.67Å; I164-L274 HydrophobicContact CG2-CG 4.19Å; I164-F290 HydrophobicContact CD1-CD2 3.95Å; I164-F290 HydrophobicContact CD1-CE2 3.51Å; I164-F335 HydrophobicContact CD1-CD1 3.76Å; I164-F335 HydrophobicContact CD1-CE1 4.37Å; I164-L336 PolarHBondContact N-O 2.92Å; I164-V337 HydrophobicContact CD1-CG2 4.41Å; I164-V337 CarbonylContact O-C 3.59Å; I164-V337 WeakPolarHBondContact O-CA 3.35Å; I164-T338 PolarHBondContact O-N 3.33Å
165	N	94.4	Very high	85.6	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105.3	171.5	178.2	5.9	0	0	0	109.8	R167 Y259 Y271 I272 R273 L274 T338	N165-R167 VanDerWaalsContact OD1-CB 3.25Å; N165-R167 WeakPolarHBondContact OD1-CB 3.45Å; N165-R167 PolarHBondContact OD1-N 2.77Å; N165-Y259 HydrophobicContact CB-CE2 4.08Å; N165-Y259 WeakPolarHBondContact ND2-CE2 3.47Å; N165-Y271 HydrophobicContact CB-CE2 3.76Å; N165-I272 PolarHBondContact N-O 3.2Å; N165-R273 WeakPolarHBondContact ND2-CD 3.44Å; N165-R273 PolarHBondContact ND2-NE 3.37Å; N165-R273 PolarHBondContact O-NH1 2.96Å; N165-R273 PolarHBondContact OD1-NH1 2.79Å; N165-L274 PolarHBondContact O-N 3.39Å; N165-L274 VanDerWaalsContact O-O 3.06Å; N165-T338 WeakPolarHBondContact CA-O 3.46Å; N165-T338 WeakPolarHBondContact CA-OG1 3.26Å
166	V	94	Very high	85.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.			trans	-93.5	6.4	-174.4	-58.4	0	0	0	0	114.4	I164 L274 F276 V337 T338 I347	I164-V166 HydrophobicContact CG2-CG1 3.56Å; V166-L274 CarbonylContact C-O 3.5Å; V166-L274 VanDerWaalsContact CA-O 3.27Å; V166-L274 WeakPolarHBondContact CA-O 3.42Å; V166-F276 HydrophobicContact CB-CB 3.9Å; V166-F276 HydrophobicContact CB-CD1 4.31Å; V166-F276 HydrophobicContact CB-CD2 3.74Å; V166-F276 HydrophobicContact CB-CE2 4.36Å; V166-F276 HydrophobicContact CB-CG 3.72Å; V166-F276 HydrophobicContact CG1-CD1 4.4Å; V166-F276 HydrophobicContact CG1-CD2 3.72Å; V166-F276 HydrophobicContact CG1-CE1 4.49Å; V166-F276 HydrophobicContact CG1-CE2 3.82Å; V166-F276 HydrophobicContact CG1-CG 4.04Å; V166-F276 HydrophobicContact CG1-CZ 4.21Å; V166-F276 HydrophobicContact CG2-CB 4.46Å; V166-F276 HydrophobicContact CG2-CD2 4.31Å; V166-F276 WeakPolarHBondContact O-CB 3.48Å; V166-F276 PolarHBondContact O-N 3.48Å; V166-V337 HydrophobicContact CG1-CG1 3.94Å; V166-V337 HydrophobicContact CG2-CG1 4.02Å; V166-T338 VanDerWaalsContact CG2-O 3.24Å; V166-T338 WeakPolarHBondContact CG2-O 3.32Å; V166-T338 PolarHBondContact N-O 3.12Å; V166-I347 HydrophobicContact CG2-CG1 4.28Å
167	R	91.5	Very high	85.8	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.011	16%	0.158	C	C	.	.			trans	-58.5	139.1	-176.1	179.6	177.6	-169.4	129.7	4	113.1	D108 N165 D169 R273 H340	D108-R167 IonicContact OD1-CZ 2.72Å; D108-R167 IonicContact OD1-NH1 3.17Å; D108-R167 IonicContact OD1-NH2 3.49Å; D108-R167 PolarHBondContact OD1-NH2 3.43Å; D108-R167 IonicContact OD2-CZ 3.6Å; D108-R167 IonicContact OD2-NH1 2.62Å; D108-R167 PolarHBondContact OD2-NH1 3.27Å; D108-R167 IonicContact OD2-NH2 3.61Å; D108-R167 PolarHBondContact OD2-NH2 3.3Å; N165-R167 VanDerWaalsContact OD1-CB 3.25Å; N165-R167 WeakPolarHBondContact OD1-CB 3.45Å; N165-R167 PolarHBondContact OD1-N 2.77Å; R167-D169 WeakPolarHBondContact CD-OD1 3.42Å; R167-D169 WeakPolarHBondContact CG-O 3.36Å; R167-D169 WeakPolarHBondContact CG-OD1 3.5Å; R167-D169 IonicContact CZ-OD1 3.75Å; R167-D169 IonicContact CZ-OD2 3.24Å; R167-D169 VanDerWaalsContact NE-CG 3.29Å; R167-D169 IonicContact NE-OD1 3.65Å; R167-D169 PolarHBondContact NE-OD1 2.89Å; R167-D169 IonicContact NE-OD2 3.87Å; R167-D169 PolarHBondContact NE-OD2 3.43Å; R167-D169 IonicContact NH2-OD1 2.71Å; R167-D169 IonicContact NH2-OD2 3.43Å; R167-D169 PolarHBondContact NH2-OD2 2.91Å; R167-R273 VanDerWaalsContact N-NH1 3.11Å; R167-R273 PolarHBondContact O-NH1 3.27Å; R167-R273 PolarHBondContact O-NH2 3.44Å; R167-H340 HydrophobicContact CG-CB 4.18Å
168	S	91.3	Very high	86.7	Confident	6 Å²	6	31.1 Å²	31.1	4%	0.042	16%	0.162	C	C	.	.	S	Bend	trans	-92.9	-14.1	-176.8	56.8	0	0	0	0	115.7	N275 P278	S168-N275 VanDerWaalsContact CA-OD1 3.24Å; S168-N275 WeakPolarHBondContact CA-OD1 3.28Å; S168-N275 WeakPolarHBondContact CB-OD1 3.41Å; S168-P278 VanDerWaalsContact OG-CD 3.32Å; S168-P278 WeakPolarHBondContact OG-CD 3.44Å
169	D	91.6	Very high	88.2	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-107	147.8	177.3	56	-34.7	0	0	0	111.7	R167 A184 R186 I194 M195 R273	R167-D169 WeakPolarHBondContact CD-OD1 3.42Å; R167-D169 WeakPolarHBondContact CG-O 3.36Å; R167-D169 WeakPolarHBondContact CG-OD1 3.5Å; R167-D169 IonicContact CZ-OD1 3.75Å; R167-D169 IonicContact CZ-OD2 3.24Å; R167-D169 VanDerWaalsContact NE-CG 3.29Å; R167-D169 IonicContact NE-OD1 3.65Å; R167-D169 PolarHBondContact NE-OD1 2.89Å; R167-D169 IonicContact NE-OD2 3.87Å; R167-D169 PolarHBondContact NE-OD2 3.43Å; R167-D169 IonicContact NH2-OD1 2.71Å; R167-D169 IonicContact NH2-OD2 3.43Å; R167-D169 PolarHBondContact NH2-OD2 2.91Å; D169-A184 WeakPolarHBondContact OD2-CB 3.03Å; D169-R186 IonicContact OD2-CZ 3.86Å; D169-R186 IonicContact OD2-NH1 2.72Å; D169-R186 PolarHBondContact OD2-NH1 3.48Å; D169-R186 IonicContact OD2-NH2 3.7Å; D169-I194 HydrophobicContact CB-CG2 3.73Å; D169-M195 WeakPolarHBondContact CB-O 3.06Å; D169-R273 PolarHBondContact O-NH2 3.2Å; D169-R273 VanDerWaalsContact O-NH2 3.1Å
170	P	92.8	Very high	89.1	Confident	4 Å²	4	23.9 Å²	23.9	3%	0.026	13%	0.126	C	C	.	.			trans	-71.7	140.1	175.7	20.5	-17.2	0	0	0	110.7	V185 L205 M208 E209	P170-V185 HydrophobicContact CB-CG2 4.22Å; P170-V185 HydrophobicContact CG-CB 4.02Å; P170-V185 HydrophobicContact CG-CG2 4.23Å; P170-V185 PolarHBondContact O-N 3.42Å; P170-L205 HydrophobicContact CG-CD2 4.43Å; P170-M208 HydrophobicContact CB-CG 4.45Å; P170-M208 HydrophobicContact CG-CG 4.1Å; P170-E209 HydrophobicContact CB-CG 3.52Å
171	C	92	Very high	89.6	Confident	4 Å²	4	22.4 Å²	22.4	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134	-175.8	-173.4	0	0	0	0	111.3	P182 Y183 E209	C171-P182 VanDerWaalsContact SG-CB 3.56Å; C171-Y183 WeakPolarHBondContact CA-O 3.38Å; C171-Y183 PolarHBondContact SG-N 3.18Å; C171-Y183 PolarHBondContact SG-O 2.57Å; C171-E209 PolarHBondContact N-OE1 3.35Å
172	L	93.5	Very high	89.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	160.9	171.5	-60.1	-176.2	0	0	0	110.1	L105 Y183 E209 C212 R213 L252 V254	L105-L172 HydrophobicContact CD1-CD1 4.13Å; L105-L172 HydrophobicContact CD2-CB 4.36Å; L105-L172 HydrophobicContact CD2-CD1 4.02Å; L105-L172 HydrophobicContact CD2-CG 4.26Å; L172-Y183 PolarHBondContact N-O 2.88Å; L172-Y183 PolarHBondContact O-N 3.14Å; L172-E209 HydrophobicContact CD2-CB 4.12Å; L172-E209 WeakPolarHBondContact CD2-O 3.31Å; L172-C212 HydrophobicContact CD1-CB 4.32Å; L172-R213 HydrophobicContact CD1-CB 4.44Å; L172-R213 HydrophobicContact CD2-CB 4.32Å; L172-L252 HydrophobicContact CB-CD1 3.86Å; L172-L252 HydrophobicContact CB-CG 4.48Å; L172-L252 HydrophobicContact CD1-CD1 4.05Å; L172-L252 HydrophobicContact CD1-CD2 3.96Å; L172-L252 HydrophobicContact CD1-CG 4.11Å; L172-V254 HydrophobicContact CD2-CG2 4.34Å
173	F	92.9	Very high	90	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.4	179.4	-68.2	-106.1	0	0	0	110.5	W180 L181 P182 L252 L253 V258	F173-W180 HydrophobicContact CB-CB 4.41Å; F173-W180 HydrophobicContact CB-CE3 4.34Å; F173-L181 WeakPolarHBondContact CA-O 3.41Å; F173-P182 HydrophobicContact CD1-CB 4.18Å; F173-P182 HydrophobicContact CE1-CB 3.76Å; F173-P182 HydrophobicContact CZ-CB 4.1Å; F173-L252 CarbonylContact O-C 3.51Å; F173-L252 WeakPolarHBondContact O-CA 3.4Å; F173-L253 HydrophobicContact CB-CB 4.25Å; F173-L253 PolarHBondContact N-O 2.84Å; F173-L253 PolarHBondContact O-N 3.3Å; F173-V258 HydrophobicContact CB-CG2 3.87Å; F173-V258 HydrophobicContact CD1-CG1 4.29Å; F173-V258 HydrophobicContact CD1-CG2 4.07Å; F173-V258 HydrophobicContact CD2-CB 4.39Å; F173-V258 HydrophobicContact CD2-CG2 3.66Å; F173-V258 HydrophobicContact CE1-CG1 4.11Å; F173-V258 HydrophobicContact CE2-CB 4.43Å; F173-V258 HydrophobicContact CE2-CG2 4.18Å; F173-V258 HydrophobicContact CG-CG2 3.61Å; F173-V258 HydrophobicContact CZ-CG1 4.28Å
174	T	91.2	Very high	90	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.4	172.8	56.8	0	0	0	0	110.3	W180 L181 Y183 F230 L252	T174-W180 WeakPolarHBondContact O-CA 3.48Å; T174-L181 PolarHBondContact N-O 3.38Å; T174-L181 VanDerWaalsContact N-O 3.11Å; T174-L181 PolarHBondContact O-N 3.49Å; T174-Y183 HydrophobicContact CG2-CD2 4.48Å; T174-Y183 WeakPolarHBondContact OG1-CD2 3.36Å; T174-Y183 WeakPolarHBondContact OG1-CE2 2.91Å; T174-F230 HydrophobicContact CG2-CD1 4.16Å; T174-F230 HydrophobicContact CG2-CE1 3.31Å; T174-F230 HydrophobicContact CG2-CE2 4.32Å; T174-F230 HydrophobicContact CG2-CZ 3.44Å; T174-F230 VanDerWaalsContact CG2-CZ 3.44Å; T174-L252 HydrophobicContact CG2-CD1 3.48Å; T174-L252 VanDerWaalsContact CG2-CD1 3.48Å
175	F	88	Confident	89.9	Confident	102 Å²	102	22.8 Å²	22.8	45%	0.447	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117	176.1	-169.5	-102.6	0	0	0	110.1	D179 W180	F175-D179 WeakPolarHBondContact CA-O 3.14Å; F175-D179 WeakPolarHBondContact CD2-O 3.2Å; F175-W180 HydrophobicContact CB-CD2 4.29Å; F175-W180 HydrophobicContact CB-CE3 4.1Å; F175-W180 HydrophobicContact CB-CH2 3.88Å; F175-W180 HydrophobicContact CB-CZ2 4.11Å; F175-W180 HydrophobicContact CB-CZ3 3.9Å; F175-W180 HydrophobicContact CD2-CD2 4.15Å; F175-W180 AromaticContact CD2-CE2 3.81Å; F175-W180 HydrophobicContact CD2-CG 4.37Å; F175-W180 HydrophobicContact CD2-CZ2 4.15Å; F175-W180 AromaticContact CD2-NE1 3.83Å; F175-W180 HydrophobicContact CG-CZ2 4.47Å
176	D	80.7	Confident	89.7	Confident	36 Å²	36	23.3 Å²	23.3	19%	0.193	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.2	176	175.6	32.1	0	0	0	109.3	R107 D178 D179 L181	R107-D176 IonicContact CZ-OD2 3.79Å; R107-D176 IonicContact NH1-OD2 3.32Å; R107-D176 PolarHBondContact NH1-OD2 3.29Å; R107-D176 IonicContact NH2-OD2 2.77Å; D176-D178 VanDerWaalsContact C-N 3.33Å; D176-D178 PolarHBondContact O-N 3.43Å; D176-D179 PolarHBondContact N-O 3.4Å; D176-D179 PolarHBondContact O-N 3.23Å; D176-D179 VanDerWaalsContact O-N 3.12Å; D176-L181 HydrophobicContact CB-CD1 3.89Å; D176-L181 HydrophobicContact CB-CG 4.44Å
177	S	77.9	Confident	89.4	Confident	94 Å²	94	27.6 Å²	27.6	66%	0.657	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	44.8	175.4	-57.5	0	0	0	0	114.7	D179	S177-D179 VanDerWaalsContact C-N 3.26Å; S177-D179 PolarHBondContact O-N 2.92Å
178	D	82.1	Confident	89	Confident	132 Å²	132	28.8 Å²	28.8	71%	0.706	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	12.7	-179.1	-61.5	-40.8	0	0	0	116.2	D176	D176-D178 VanDerWaalsContact C-N 3.33Å; D176-D178 PolarHBondContact O-N 3.43Å
179	D	88.9	Confident	88.5	Confident	20 Å²	20	34.5 Å²	34.5	11%	0.107	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	167.2	177.5	-160.1	-6	0	0	0	111.6	S145 Y146 E147 F175 D176 S177 L181	S145-D179 WeakPolarHBondContact CB-OD2 3.07Å; S145-D179 PolarHBondContact OG-OD2 3.22Å; Y146-D179 PolarHBondContact N-OD1 3.07Å; E147-D179 WeakPolarHBondContact CG-OD1 3.24Å; E147-D179 PolarHBondContact N-OD1 3.48Å; F175-D179 WeakPolarHBondContact CA-O 3.14Å; F175-D179 WeakPolarHBondContact CD2-O 3.2Å; D176-D179 PolarHBondContact N-O 3.4Å; D176-D179 PolarHBondContact O-N 3.23Å; D176-D179 VanDerWaalsContact O-N 3.12Å; S177-D179 VanDerWaalsContact C-N 3.26Å; S177-D179 PolarHBondContact O-N 2.92Å; D179-L181 HydrophobicContact CB-CD2 4.27Å
180	W	88.9	Confident	88	Confident	45 Å²	45	36.9 Å²	36.9	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.1	172.1	-66.3	89.5	0	0	0	109.9	S145 Y146 F173 T174 F175 D250 L253	S145-W180 WeakPolarHBondContact CB-O 3.34Å; Y146-W180 AromaticContact CD1-CD1 3.9Å; Y146-W180 AromaticContact CG-CD1 3.96Å; Y146-W180 PolarHBondContact N-O 2.98Å; F173-W180 HydrophobicContact CB-CB 4.41Å; F173-W180 HydrophobicContact CB-CE3 4.34Å; T174-W180 WeakPolarHBondContact O-CA 3.48Å; F175-W180 HydrophobicContact CB-CD2 4.29Å; F175-W180 HydrophobicContact CB-CE3 4.1Å; F175-W180 HydrophobicContact CB-CH2 3.88Å; F175-W180 HydrophobicContact CB-CZ2 4.11Å; F175-W180 HydrophobicContact CB-CZ3 3.9Å; F175-W180 HydrophobicContact CD2-CD2 4.15Å; F175-W180 AromaticContact CD2-CE2 3.81Å; F175-W180 HydrophobicContact CD2-CG 4.37Å; F175-W180 HydrophobicContact CD2-CZ2 4.15Å; F175-W180 AromaticContact CD2-NE1 3.83Å; F175-W180 HydrophobicContact CG-CZ2 4.47Å; W180-D250 WeakPolarHBondContact CH2-O 3.36Å; W180-L253 HydrophobicContact CD2-CD1 3.61Å; W180-L253 HydrophobicContact CD2-CG 4.29Å; W180-L253 HydrophobicContact CE3-CB 4.37Å; W180-L253 HydrophobicContact CE3-CD1 3.68Å; W180-L253 HydrophobicContact CE3-CG 3.84Å; W180-L253 HydrophobicContact CG-CD1 4.27Å; W180-L253 HydrophobicContact CH2-CD1 3.96Å; W180-L253 HydrophobicContact CH2-CG 3.9Å; W180-L253 HydrophobicContact CZ2-CD1 3.87Å; W180-L253 HydrophobicContact CZ2-CG 4.31Å; W180-L253 HydrophobicContact CZ3-CB 4.41Å; W180-L253 HydrophobicContact CZ3-CD1 3.86Å; W180-L253 HydrophobicContact CZ3-CG 3.63Å
181	L	89.3	Confident	87.4	Confident	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.3	-173.2	-58.6	-172.9	0	0	0	111.9	R107 F173 T174 D176 D179 Y183	R107-L181 VanDerWaalsContact CZ-CD1 3.47Å; F173-L181 WeakPolarHBondContact CA-O 3.41Å; T174-L181 PolarHBondContact N-O 3.38Å; T174-L181 VanDerWaalsContact N-O 3.11Å; T174-L181 PolarHBondContact O-N 3.49Å; D176-L181 HydrophobicContact CB-CD1 3.89Å; D176-L181 HydrophobicContact CB-CG 4.44Å; D179-L181 HydrophobicContact CB-CD2 4.27Å; L181-Y183 HydrophobicContact CB-CE2 4.21Å; L181-Y183 WeakPolarHBondContact O-CD2 3.31Å
182	P	91.6	Very high	86.7	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.8	-177.4	33	-36.8	0	0	0	112.9	D108 Q143 C171 F173	D108-P182 HydrophobicContact CB-CG 4.18Å; D108-P182 PolarHBondContact N-O 2.96Å; D108-P182 WeakPolarHBondContact OD2-CB 3.24Å; Q143-P182 HydrophobicContact CG-CB 3.68Å; Q143-P182 HydrophobicContact CG-CG 3.6Å; C171-P182 VanDerWaalsContact SG-CB 3.56Å; F173-P182 HydrophobicContact CD1-CB 4.18Å; F173-P182 HydrophobicContact CE1-CB 3.76Å; F173-P182 HydrophobicContact CZ-CB 4.1Å
183	Y	91.4	Very high	86.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.4	172.6	-72	-101.5	0	0	0	110.5	V106 R107 C171 L172 T174 L181 F230 D232	V106-Y183 CarbonylContact O-C 3.56Å; V106-Y183 VanDerWaalsContact O-CA 3.32Å; V106-Y183 WeakPolarHBondContact O-CA 3.5Å; R107-Y183 HydrophobicContact CB-CD1 3.82Å; R107-Y183 HydrophobicContact CB-CE1 3.51Å; R107-Y183 HydrophobicContact CG-CE1 4.11Å; R107-Y183 HydrophobicContact CG-CE2 4.46Å; R107-Y183 VanDerWaalsContact N-CD1 3.28Å; C171-Y183 WeakPolarHBondContact CA-O 3.38Å; C171-Y183 PolarHBondContact SG-N 3.18Å; C171-Y183 PolarHBondContact SG-O 2.57Å; L172-Y183 PolarHBondContact N-O 2.88Å; L172-Y183 PolarHBondContact O-N 3.14Å; T174-Y183 HydrophobicContact CG2-CD2 4.48Å; T174-Y183 WeakPolarHBondContact OG1-CD2 3.36Å; T174-Y183 WeakPolarHBondContact OG1-CE2 2.91Å; L181-Y183 HydrophobicContact CB-CE2 4.21Å; L181-Y183 WeakPolarHBondContact O-CD2 3.31Å; Y183-F230 HydrophobicContact CD1-CB 3.99Å; Y183-F230 AromaticContact CD1-CD1 3.62Å; Y183-F230 HydrophobicContact CD1-CD1 3.62Å; Y183-F230 HydrophobicContact CD1-CG 4.26Å; Y183-F230 HydrophobicContact CD2-CD1 4.43Å; Y183-F230 HydrophobicContact CE1-CB 3.69Å; Y183-F230 AromaticContact CE1-CD1 3.94Å; Y183-F230 HydrophobicContact CE1-CD1 3.94Å; Y183-F230 HydrophobicContact CE1-CG 4.19Å; Y183-F230 AromaticContact CG-CD1 3.89Å; Y183-F230 HydrophobicContact CG-CD1 3.89Å; Y183-F230 HydrophobicContact CG-CE1 4.48Å; Y183-D232 WeakPolarHBondContact CE1-OD1 3.46Å; Y183-D232 VanDerWaalsContact CZ-OD1 3.3Å; Y183-D232 PolarHBondContact OH-OD1 3.12Å
184	A	91.2	Very high	85.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	139.9	176.2	0	0	0	0	0	112	L105 V106 D169	L105-A184 WeakPolarHBondContact CA-O 3.24Å; V106-A184 PolarHBondContact N-O 2.94Å; V106-A184 PolarHBondContact O-N 3.46Å; D169-A184 WeakPolarHBondContact OD2-CB 3.03Å
185	V	92.2	Very high	84.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.6	169.3	-174.8	0	0	0	0	109.2	Y103 L105 P170 M195	Y103-V185 HydrophobicContact CD1-CG1 4.24Å; Y103-V185 HydrophobicContact CG-CG1 3.95Å; L105-V185 HydrophobicContact CD2-CG2 3.77Å; P170-V185 HydrophobicContact CB-CG2 4.22Å; P170-V185 HydrophobicContact CG-CB 4.02Å; P170-V185 HydrophobicContact CG-CG2 4.23Å; P170-V185 PolarHBondContact O-N 3.42Å; V185-M195 HydrophobicContact CB-SD 4.39Å; V185-M195 HydrophobicContact CG1-SD 3.92Å; V185-M195 VanDerWaalsContact O-SD 3.41Å
186	R	90.5	Very high	84.5	Confident	14 Å²	14	50.7 Å²	50.7	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.6	-177.2	-64.8	-72.9	-170.5	-111.7	-4	111.3	Y103 C104 V106 D169 I191 N193 H340	Y103-R186 CarbonylContact C-O 3.53Å; Y103-R186 WeakPolarHBondContact CA-O 3.29Å; Y103-R186 WeakPolarHBondContact CB-O 3.25Å; C104-R186 PolarHBondContact N-O 3.39Å; C104-R186 PolarHBondContact O-N 2.89Å; C104-R186 PolarHBondContact SG-O 3.13Å; V106-R186 HydrophobicContact CB-CG 4Å; V106-R186 HydrophobicContact CG2-CB 4.09Å; V106-R186 HydrophobicContact CG2-CG 3.66Å; D169-R186 IonicContact OD2-CZ 3.86Å; D169-R186 IonicContact OD2-NH1 2.72Å; D169-R186 PolarHBondContact OD2-NH1 3.48Å; D169-R186 IonicContact OD2-NH2 3.7Å; R186-I191 HydrophobicContact CB-CG1 4.26Å; R186-N193 WeakPolarHBondContact CD-O 3.49Å; R186-H340 PolarHBondContact NH2-CE1 2.92Å
187	E	87.4	Confident	84.5	Confident	91 Å²	91	51.7 Å²	51.7	43%	0.425	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.8	170.6	-76.7	-175.3	-170.1	0	0	110.7	Y103 D189 S190 I191 M195	Y103-E187 HydrophobicContact CD1-CG 3.81Å; Y103-E187 HydrophobicContact CE1-CG 3.56Å; E187-D189 VanDerWaalsContact C-N 3.33Å; E187-D189 PolarHBondContact O-N 3.16Å; E187-S190 CarbonylContact O-C 3.47Å; E187-S190 PolarHBondContact O-N 3.47Å; E187-S190 VanDerWaalsContact O-N 3.08Å; E187-I191 WeakPolarHBondContact O-CA 3.45Å; E187-I191 PolarHBondContact O-N 3.28Å; E187-M195 HydrophobicContact CG-CG 4.21Å; E187-M195 HydrophobicContact CG-SD 4.21Å
188	F	83.6	Confident	84.4	Confident	28 Å²	28	48 Å²	48	12%	0.123	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.4	-43	-177.5	175.8	-88.5	0	0	0	112.7	K87 Q88 I89 M98 K102 S190	K87-F188 HydrophobicContact CB-CD1 4.37Å; K87-F188 HydrophobicContact CB-CD2 4.11Å; K87-F188 HydrophobicContact CB-CE1 3.91Å; K87-F188 HydrophobicContact CB-CE2 3.57Å; K87-F188 HydrophobicContact CB-CG 4.47Å; K87-F188 HydrophobicContact CB-CZ 3.47Å; K87-F188 VanDerWaalsContact CB-CZ 3.47Å; K87-F188 HydrophobicContact CD-CD1 3.35Å; K87-F188 HydrophobicContact CD-CD2 4.26Å; K87-F188 HydrophobicContact CD-CE1 3.45Å; K87-F188 VanDerWaalsContact CD-CE1 3.45Å; K87-F188 HydrophobicContact CD-CE2 4.31Å; K87-F188 HydrophobicContact CD-CG 3.79Å; K87-F188 HydrophobicContact CD-CZ 3.94Å; K87-F188 HydrophobicContact CG-CE1 4.31Å; K87-F188 HydrophobicContact CG-CZ 4.36Å; Q88-F188 WeakPolarHBondContact O-CZ 3.45Å; I89-F188 HydrophobicContact CB-CE2 4.47Å; I89-F188 HydrophobicContact CD1-CE2 4.46Å; I89-F188 HydrophobicContact CG1-CD2 4.16Å; I89-F188 HydrophobicContact CG1-CE2 3.45Å; I89-F188 VanDerWaalsContact CG1-CE2 3.45Å; I89-F188 HydrophobicContact CG1-CZ 3.94Å; M98-F188 HydrophobicContact CE-CD2 3.8Å; M98-F188 HydrophobicContact CE-CE2 4.08Å; M98-F188 HydrophobicContact SD-CB 3.82Å; M98-F188 HydrophobicContact SD-CD2 3.31Å; M98-F188 WeakPolarHBondContact SD-CD2 3.37Å; M98-F188 HydrophobicContact SD-CE2 4.07Å; M98-F188 HydrophobicContact SD-CG 3.72Å; K102-F188 WeakPolarHBondContact O-CB 3.46Å; K102-F188 PolarHBondContact O-N 2.98Å; F188-S190 PolarHBondContact O-N 3.5Å
189	D	80.5	Confident	84.3	Confident	126 Å²	126	43.8 Å²	43.8	67%	0.674	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-71.3	-9.7	-177.9	-57.7	-33.7	0	0	0	112	K87 E187	K87-D189 IonicContact NZ-OD1 2.98Å; K87-D189 PolarHBondContact NZ-OD1 3.45Å; K87-D189 IonicContact NZ-OD2 3.85Å; E187-D189 VanDerWaalsContact C-N 3.33Å; E187-D189 PolarHBondContact O-N 3.16Å
190	S	81.4	Confident	84.2	Confident	50 Å²	50	45.2 Å²	45.2	35%	0.35	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-147.9	52.1	-177.8	-71.8	0	0	0	0	111.8	E187 F188 Q192 N193	E187-S190 CarbonylContact O-C 3.47Å; E187-S190 PolarHBondContact O-N 3.47Å; E187-S190 VanDerWaalsContact O-N 3.08Å; F188-S190 PolarHBondContact O-N 3.5Å; S190-Q192 PolarHBondContact O-N 3.47Å; S190-N193 PolarHBondContact O-N 3.18Å
191	I	80.4	Confident	84.2	Confident	13 Å²	13	44.1 Å²	44.1	7%	0.067	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.8	-172.8	-164.8	165.5	0	0	0	114.6	I89 C104 V106 R186 E187 N193 Y231 I234	I89-I191 HydrophobicContact CD1-CD1 3.45Å; I89-I191 VanDerWaalsContact CD1-CD1 3.45Å; C104-I191 VanDerWaalsContact SG-CD1 3.52Å; V106-I191 HydrophobicContact CG2-CD1 3.83Å; V106-I191 HydrophobicContact CG2-CG1 3.66Å; R186-I191 HydrophobicContact CB-CG1 4.26Å; E187-I191 WeakPolarHBondContact O-CA 3.45Å; E187-I191 PolarHBondContact O-N 3.28Å; I191-N193 VanDerWaalsContact C-N 3.32Å; I191-Y231 HydrophobicContact CD1-CD1 4.47Å; I191-Y231 HydrophobicContact CD1-CD2 3.84Å; I191-Y231 HydrophobicContact CD1-CE2 3.99Å; I191-Y231 HydrophobicContact CD1-CG 4.11Å; I191-I234 HydrophobicContact CD1-CG2 4.24Å; I191-I234 HydrophobicContact CG1-CG2 4.35Å
192	Q	77.1	Confident	84.2	Confident	108 Å²	108	43.5 Å²	43.5	51%	0.505	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.8	179.4	-61.6	-65.4	-13.9	0	0	113	S190 I234	S190-Q192 PolarHBondContact O-N 3.47Å; Q192-I234 PolarHBondContact NE2-O 3.24Å; Q192-I234 VanDerWaalsContact NE2-O 3.1Å
193	N	80	Confident	84.2	Confident	104 Å²	104	46.9 Å²	46.9	56%	0.556	24%	0.239	S	C	*	.	S	Bend	trans	-94.1	137.2	-175.4	-65.9	-28.2	0	0	0	110.8	R186 S190 I191	R186-N193 WeakPolarHBondContact CD-O 3.49Å; S190-N193 PolarHBondContact O-N 3.18Å; I191-N193 VanDerWaalsContact C-N 3.32Å
194	I	80.7	Confident	84.2	Confident	49 Å²	49	50.2 Å²	50.2	25%	0.251	26%	0.257	S	S	.	.			trans	-67.7	135.2	173.3	-59	173.9	0	0	0	108.9	D169 E196	D169-I194 HydrophobicContact CB-CG2 3.73Å; I194-E196 HydrophobicContact CB-CG 4.24Å; I194-E196 HydrophobicContact CG2-CG 3.87Å; I194-E196 PolarHBondContact O-N 3.08Å; I194-E196 VanDerWaalsContact O-N 3.13Å
195	M	78.6	Confident	84.2	Confident	32 Å²	32	50.3 Å²	50.3	16%	0.158	26%	0.257	C	S	.	.			trans	-70.6	106.8	171.4	-75.3	-177.1	60.9	0	0	109.3	Y103 D169 V185 E187	Y103-M195 HydrophobicContact CD1-CE 3.79Å; Y103-M195 HydrophobicContact CD1-SD 3.47Å; Y103-M195 WeakPolarHBondContact CD1-SD 3.48Å; Y103-M195 HydrophobicContact CE1-CE 3.21Å; Y103-M195 HydrophobicContact CE1-SD 3.55Å; Y103-M195 VanDerWaalsContact CE1-SD 3.55Å; Y103-M195 HydrophobicContact CG-SD 4.48Å; D169-M195 WeakPolarHBondContact CB-O 3.06Å; V185-M195 HydrophobicContact CB-SD 4.39Å; V185-M195 HydrophobicContact CG1-SD 3.92Å; V185-M195 VanDerWaalsContact O-SD 3.41Å; E187-M195 HydrophobicContact CG-CG 4.21Å; E187-M195 HydrophobicContact CG-SD 4.21Å
196	E	79.5	Confident	84.3	Confident	97 Å²	97	51.6 Å²	51.6	45%	0.453	26%	0.263	S	S	.	.			trans	-121.2	121.4	-179	-65.6	179.4	-173.3	0	0	110.6	I194 V277	I194-E196 HydrophobicContact CB-CG 4.24Å; I194-E196 HydrophobicContact CG2-CG 3.87Å; I194-E196 PolarHBondContact O-N 3.08Å; I194-E196 VanDerWaalsContact O-N 3.13Å; E196-V277 HydrophobicContact CB-CG1 4.39Å; E196-V277 HydrophobicContact CG-CG1 4.49Å
197	N	80.6	Confident	84.5	Confident	57 Å²	57	55.7 Å²	55.7	31%	0.305	29%	0.286	S	S	.	.			trans	-129.7	108.2	167.1	-169.6	-8	0	0	0	110.5	H199 Q200 N275	N197-H199 PolarHBondContact O-N 3.44Å; N197-H199 PolarHBondContact OD1-N 3.31Å; N197-Q200 HydrophobicContact CB-CB 4.37Å; N197-Q200 HydrophobicContact CB-CG 4.07Å; N197-Q200 PolarHBondContact O-N 2.68Å; N197-N275 PolarHBondContact O-ND2 3.33Å
198	Q	77	Confident	84.7	Confident	15 Å²	15	53.2 Å²	53.2	7%	0.07	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.7	179.1	-167.2	-172.1	-29.2	0	0	113.4	V277 K280 L283 E1072	Q198-V277 HydrophobicContact CB-CG2 4.13Å; Q198-V277 HydrophobicContact CG-CG2 4.3Å; Q198-K280 VanDerWaalsContact OE1-CD 3.29Å; Q198-L283 HydrophobicContact CG-CD2 4.41Å; Q198-L283 WeakPolarHBondContact O-CD1 3.14Å; Q198-L283 VanDerWaalsContact O-CG 3.24Å; Q198-L283 WeakPolarHBondContact O-CG 3.5Å; Q198-E1072 PolarHBondContact NE2-OE1 3.16Å
199	H	80.3	Confident	85.2	Confident	45 Å²	45	52 Å²	52	21%	0.208	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.7	-178.2	-55	-62.4	0	0	0	114.2	N197 K1066	N197-H199 PolarHBondContact O-N 3.44Å; N197-H199 PolarHBondContact OD1-N 3.31Å; H199-K1066 VanDerWaalsContact CD2-CE 3.46Å; H199-K1066 WeakPolarHBondContact CD2-CE 3.18Å; H199-K1066 WeakPolarHBondContact NE2-CD 3.44Å; H199-K1066 WeakPolarHBondContact NE2-CE 3Å; H199-K1066 WeakPolarHBondContact NE2-CG 3.4Å
200	Q	85.7	Confident	85.9	Confident	50 Å²	50	48.6 Å²	48.6	23%	0.234	25%	0.253	C	S	.	.			trans	-87.4	142.3	171.5	-77.7	176.2	-27.9	0	0	109.8	N197 D204 N275	N197-Q200 HydrophobicContact CB-CB 4.37Å; N197-Q200 HydrophobicContact CB-CG 4.07Å; N197-Q200 PolarHBondContact O-N 2.68Å; Q200-D204 HydrophobicContact CB-CB 4.03Å; Q200-D204 HydrophobicContact CG-CB 4.08Å; Q200-N275 PolarHBondContact O-ND2 2.88Å
201	S	88.7	Confident	86.5	Confident	22 Å²	22	51.9 Å²	51.9	15%	0.154	26%	0.261	C	S	.	.			trans	-82.3	166.9	167.1	68.7	0	0	0	0	110.6	I203 D204 L205 E286	S201-I203 PolarHBondContact O-N 3.13Å; S201-I203 PolarHBondContact OG-N 3.36Å; S201-D204 WeakPolarHBondContact CB-OD2 3.13Å; S201-D204 PolarHBondContact N-OD2 3.36Å; S201-D204 PolarHBondContact O-N 2.95Å; S201-D204 VanDerWaalsContact OG-CG 3.28Å; S201-D204 PolarHBondContact OG-N 3.23Å; S201-D204 PolarHBondContact OG-OD2 3.14Å; S201-L205 PolarHBondContact O-N 3.19Å; S201-L205 VanDerWaalsContact O-N 3.17Å; S201-E286 WeakPolarHBondContact CA-OE1 3.22Å; S201-E286 WeakPolarHBondContact CB-OE1 3.4Å
202	G	89.3	Confident	87.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-21.7	168.9	0	0	0	0	0	113.9	Q206 E286	G202-Q206 WeakPolarHBondContact O-CG 3.35Å; G202-Q206 PolarHBondContact O-N 2.97Å; G202-Q206 VanDerWaalsContact O-N 3.13Å; G202-Q206 PolarHBondContact O-OE1 3.48Å; G202-E286 PolarHBondContact N-OE1 3.19Å
203	I	91.6	Very high	87.9	Confident	83 Å²	83	47.2 Å²	47.2	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-71.2	-44.3	172.4	-76.4	150.7	0	0	0	109.7	S201 L205 Q206 D207 R289	S201-I203 PolarHBondContact O-N 3.13Å; S201-I203 PolarHBondContact OG-N 3.36Å; I203-L205 PolarHBondContact O-N 3.11Å; I203-Q206 WeakPolarHBondContact O-CB 3.19Å; I203-Q206 PolarHBondContact O-N 3.05Å; I203-D207 PolarHBondContact O-N 3.32Å; I203-R289 VanDerWaalsContact N-NH1 3.11Å
204	D	91.8	Very high	88.5	Confident	71 Å²	71	46.4 Å²	46.4	38%	0.38	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-33.7	177.7	-57.8	-58.2	0	0	0	111.5	Q200 S201 M208	Q200-D204 HydrophobicContact CB-CB 4.03Å; Q200-D204 HydrophobicContact CG-CB 4.08Å; S201-D204 WeakPolarHBondContact CB-OD2 3.13Å; S201-D204 PolarHBondContact N-OD2 3.36Å; S201-D204 PolarHBondContact O-N 2.95Å; S201-D204 VanDerWaalsContact OG-CG 3.28Å; S201-D204 PolarHBondContact OG-N 3.23Å; S201-D204 PolarHBondContact OG-OD2 3.14Å; D204-M208 WeakPolarHBondContact O-CB 3.39Å; D204-M208 PolarHBondContact O-N 3.09Å
205	L	92.2	Very high	89.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-43	173.1	-67.9	177.3	0	0	0	111.8	P170 S201 I203 M208 E209 N275	P170-L205 HydrophobicContact CG-CD2 4.43Å; S201-L205 PolarHBondContact O-N 3.19Å; S201-L205 VanDerWaalsContact O-N 3.17Å; I203-L205 PolarHBondContact O-N 3.11Å; L205-M208 WeakPolarHBondContact O-CB 3.32Å; L205-M208 PolarHBondContact O-N 2.73Å; L205-E209 VanDerWaalsContact O-CG 3.29Å; L205-E209 WeakPolarHBondContact O-CG 3.45Å; L205-E209 PolarHBondContact O-N 3.44Å; L205-N275 HydrophobicContact CD1-CB 3.86Å
206	Q	93.4	Very high	89.7	Confident	28 Å²	28	44 Å²	44	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-45.3	174.2	-72.1	169.9	-76.1	0	0	111.4	G202 I203 M208 E209 V210 E256 R273	G202-Q206 WeakPolarHBondContact O-CG 3.35Å; G202-Q206 PolarHBondContact O-N 2.97Å; G202-Q206 VanDerWaalsContact O-N 3.13Å; G202-Q206 PolarHBondContact O-OE1 3.48Å; I203-Q206 WeakPolarHBondContact O-CB 3.19Å; I203-Q206 PolarHBondContact O-N 3.05Å; Q206-M208 VanDerWaalsContact C-N 3.27Å; Q206-M208 PolarHBondContact O-N 3.36Å; Q206-E209 WeakPolarHBondContact O-CB 3.42Å; Q206-E209 PolarHBondContact O-N 3.2Å; Q206-V210 WeakPolarHBondContact O-CG2 3.49Å; Q206-V210 PolarHBondContact O-N 3.46Å; Q206-E256 PolarHBondContact NE2-OE2 3.11Å; Q206-R273 HydrophobicContact CG-CB 4.06Å; Q206-R273 HydrophobicContact CG-CG 4.01Å
207	D	94.3	Very high	90.2	Very high	100 Å²	100	39.5 Å²	39.5	54%	0.535	20%	0.198	S	C	.	.	H	α-helix	trans	-62.3	-37.2	177	-71.9	-18.4	0	0	0	111.5	I203 K211	I203-D207 PolarHBondContact O-N 3.32Å; D207-K211 VanDerWaalsContact O-CB 3.26Å; D207-K211 WeakPolarHBondContact O-CB 3.23Å; D207-K211 PolarHBondContact O-N 3.27Å
208	M	92.5	Very high	90.6	Very high	39 Å²	39	38.5 Å²	38.5	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-67.3	-41.7	174.5	-169.1	65.2	69.1	0	0	112.1	L100 P170 D204 L205 Q206 K211 C212	L100-M208 HydrophobicContact CD1-SD 4.28Å; P170-M208 HydrophobicContact CB-CG 4.45Å; P170-M208 HydrophobicContact CG-CG 4.1Å; D204-M208 WeakPolarHBondContact O-CB 3.39Å; D204-M208 PolarHBondContact O-N 3.09Å; L205-M208 WeakPolarHBondContact O-CB 3.32Å; L205-M208 PolarHBondContact O-N 2.73Å; Q206-M208 VanDerWaalsContact C-N 3.27Å; Q206-M208 PolarHBondContact O-N 3.36Å; M208-K211 PolarHBondContact O-N 3.34Å; M208-C212 WeakPolarHBondContact O-CB 3.33Å; M208-C212 PolarHBondContact O-N 3.09Å; M208-C212 PolarHBondContact O-SG 3.49Å
209	E	94.8	Very high	91.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-48.7	175.3	-70.1	166.4	-177.3	0	0	110.3	P170 C171 L172 L205 Q206 K211 C212 R213 V254 R273	P170-E209 HydrophobicContact CB-CG 3.52Å; C171-E209 PolarHBondContact N-OE1 3.35Å; L172-E209 HydrophobicContact CD2-CB 4.12Å; L172-E209 WeakPolarHBondContact CD2-O 3.31Å; L205-E209 VanDerWaalsContact O-CG 3.29Å; L205-E209 WeakPolarHBondContact O-CG 3.45Å; L205-E209 PolarHBondContact O-N 3.44Å; Q206-E209 WeakPolarHBondContact O-CB 3.42Å; Q206-E209 PolarHBondContact O-N 3.2Å; E209-K211 PolarHBondContact O-N 3.44Å; E209-C212 PolarHBondContact O-N 2.83Å; E209-R213 PolarHBondContact O-N 3.42Å; E209-V254 HydrophobicContact CB-CG1 3.67Å; E209-V254 WeakPolarHBondContact OE2-CG1 3.46Å; E209-R273 IonicContact OE1-NE 4Å; E209-R273 IonicContact OE1-NH2 3.85Å
210	V	94.6	Very high	91.4	Very high	55 Å²	55	36 Å²	36	33%	0.333	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-47.6	176	174.5	0	0	0	0	111	Q206 C212 R213 E214 V254	Q206-V210 WeakPolarHBondContact O-CG2 3.49Å; Q206-V210 PolarHBondContact O-N 3.46Å; V210-C212 VanDerWaalsContact C-N 3.35Å; V210-C212 PolarHBondContact O-N 3.31Å; V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 3.45Å; V210-E214 HydrophobicContact CG1-CG 4.4Å; V210-E214 WeakPolarHBondContact O-CG 3.39Å; V210-E214 PolarHBondContact O-N 2.97Å; V210-V254 HydrophobicContact CG2-CG1 4.43Å; V210-V254 HydrophobicContact CG2-CG2 4.17Å
211	K	94	Very high	91.4	Very high	120 Å²	120	40.1 Å²	40.1	52%	0.522	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-41.6	179.7	-172.3	-179.4	-178.7	-178.6	0	112.4	L100 D207 M208 E209 D215	L100-K211 HydrophobicContact CD1-CD 3.98Å; L100-K211 HydrophobicContact CD1-CG 4.18Å; L100-K211 HydrophobicContact CD2-CD 4.35Å; L100-K211 HydrophobicContact CD2-CG 4.2Å; D207-K211 VanDerWaalsContact O-CB 3.26Å; D207-K211 WeakPolarHBondContact O-CB 3.23Å; D207-K211 PolarHBondContact O-N 3.27Å; M208-K211 PolarHBondContact O-N 3.34Å; E209-K211 PolarHBondContact O-N 3.44Å; K211-D215 WeakPolarHBondContact O-CB 3.48Å; K211-D215 PolarHBondContact O-N 3.16Å
212	C	93.3	Very high	91.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-42.3	176.5	-69.6	0	0	0	0	111.1	I99 L172 M208 E209 V210 D215 V216	I99-C212 HydrophobicContact CG2-CB 3.9Å; L172-C212 HydrophobicContact CD1-CB 4.32Å; M208-C212 WeakPolarHBondContact O-CB 3.33Å; M208-C212 PolarHBondContact O-N 3.09Å; M208-C212 PolarHBondContact O-SG 3.49Å; E209-C212 PolarHBondContact O-N 2.83Å; V210-C212 VanDerWaalsContact C-N 3.35Å; V210-C212 PolarHBondContact O-N 3.31Å; C212-D215 PolarHBondContact O-N 3.48Å; C212-V216 VanDerWaalsContact O-CG2 3.28Å; C212-V216 WeakPolarHBondContact O-CG2 3.46Å; C212-V216 PolarHBondContact O-N 3.08Å
213	R	94.3	Very high	90.8	Very high	23 Å²	23	42.9 Å²	42.9	9%	0.087	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-50	176	-176.5	-169.2	66.9	177	0.4	112	L172 E209 V210 D215 V216 I217 L252 V254 E257	L172-R213 HydrophobicContact CD1-CB 4.44Å; L172-R213 HydrophobicContact CD2-CB 4.32Å; E209-R213 PolarHBondContact O-N 3.42Å; V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 3.45Å; R213-D215 VanDerWaalsContact C-N 3.29Å; R213-D215 PolarHBondContact O-N 3Å; R213-V216 PolarHBondContact O-N 3Å; R213-I217 HydrophobicContact CG-CD1 3.94Å; R213-I217 WeakPolarHBondContact O-CG1 3.39Å; R213-I217 PolarHBondContact O-N 3.28Å; R213-L252 HydrophobicContact CB-CD2 4.39Å; R213-L252 WeakPolarHBondContact CD-O 3.49Å; R213-L252 HydrophobicContact CG-CB 4.37Å; R213-L252 HydrophobicContact CG-CD2 3.9Å; R213-L252 HydrophobicContact CG-CG 4.05Å; R213-V254 HydrophobicContact CB-CG2 4.45Å; R213-E257 IonicContact CZ-OE1 2.73Å; R213-E257 VanDerWaalsContact NH1-CD 3.25Å; R213-E257 IonicContact NH1-OE1 3.02Å; R213-E257 PolarHBondContact NH1-OE1 2.93Å; R213-E257 IonicContact NH1-OE2 2.7Å; R213-E257 PolarHBondContact NH1-OE2 2.93Å; R213-E257 VanDerWaalsContact NH1-OE2 3.08Å
214	E	92.4	Very high	90.3	Very high	86 Å²	86	49 Å²	49	40%	0.402	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-37.6	-179.8	-64.9	-49.4	143.6	0	0	112	V210 I217 S218	V210-E214 HydrophobicContact CG1-CG 4.4Å; V210-E214 WeakPolarHBondContact O-CG 3.39Å; V210-E214 PolarHBondContact O-N 2.97Å; E214-I217 PolarHBondContact O-N 3.42Å; E214-S218 WeakPolarHBondContact O-CB 3.49Å; E214-S218 PolarHBondContact O-N 3.49Å
215	D	92	Very high	90	Very high	31 Å²	31	49 Å²	49	17%	0.166	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-46.4	176.2	-171.4	74.1	0	0	0	111.8	I99 L100 K211 C212 R213 I217 S218 I219	I99-D215 VanDerWaalsContact CA-OD2 3.3Å; I99-D215 WeakPolarHBondContact CA-OD2 3.4Å; I99-D215 HydrophobicContact CG2-CB 4.26Å; L100-D215 HydrophobicContact CD2-CB 3.95Å; L100-D215 HydrophobicContact CG-CB 4.4Å; L100-D215 PolarHBondContact N-OD2 3.46Å; K211-D215 WeakPolarHBondContact O-CB 3.48Å; K211-D215 PolarHBondContact O-N 3.16Å; C212-D215 PolarHBondContact O-N 3.48Å; R213-D215 VanDerWaalsContact C-N 3.29Å; R213-D215 PolarHBondContact O-N 3Å; D215-I217 VanDerWaalsContact C-N 3.33Å; D215-I217 PolarHBondContact O-N 3.49Å; D215-S218 PolarHBondContact O-N 3.1Å; D215-S218 VanDerWaalsContact O-N 3.13Å; D215-S218 PolarHBondContact O-OG 2.95Å; D215-I219 VanDerWaalsContact O-CG1 3.31Å; D215-I219 WeakPolarHBondContact O-CG1 3.38Å; D215-I219 PolarHBondContact O-N 3.32Å; D215-I219 WeakPolarHBondContact OD2-CD1 3.44Å
216	V	91.5	Very high	89.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-53.8	-49.7	173.1	168.1	0	0	0	0	111.2	I99 L105 C212 R213 S218 I219 V220 F228 A246 L252	I99-V216 HydrophobicContact CD1-CG2 3.4Å; I99-V216 VanDerWaalsContact CD1-CG2 3.4Å; I99-V216 HydrophobicContact CG1-CG2 3.57Å; I99-V216 HydrophobicContact CG2-CG2 4.47Å; L105-V216 HydrophobicContact CD1-CG2 4.47Å; C212-V216 VanDerWaalsContact O-CG2 3.28Å; C212-V216 WeakPolarHBondContact O-CG2 3.46Å; C212-V216 PolarHBondContact O-N 3.08Å; R213-V216 PolarHBondContact O-N 3Å; V216-S218 VanDerWaalsContact C-N 3.31Å; V216-S218 PolarHBondContact O-N 3.39Å; V216-I219 PolarHBondContact O-N 3.41Å; V216-V220 HydrophobicContact CG1-CG2 4.44Å; V216-V220 VanDerWaalsContact O-CG2 3.28Å; V216-V220 WeakPolarHBondContact O-CG2 3.34Å; V216-V220 PolarHBondContact O-N 3.02Å; V216-F228 HydrophobicContact CB-CD2 4.49Å; V216-F228 HydrophobicContact CG1-CB 3.93Å; V216-F228 HydrophobicContact CG1-CD1 3.99Å; V216-F228 HydrophobicContact CG1-CD2 3.75Å; V216-F228 HydrophobicContact CG1-CE1 4.48Å; V216-F228 HydrophobicContact CG1-CE2 4.23Å; V216-F228 HydrophobicContact CG1-CG 3.61Å; V216-F228 HydrophobicContact CG2-CD1 4.25Å; V216-F228 HydrophobicContact CG2-CE1 3.97Å; V216-F228 HydrophobicContact CG2-CE2 4.2Å; V216-F228 HydrophobicContact CG2-CZ 3.95Å; V216-A246 HydrophobicContact CG1-CB 3.94Å; V216-L252 HydrophobicContact CB-CD2 3.98Å; V216-L252 HydrophobicContact CG1-CD2 3.73Å; V216-L252 HydrophobicContact CG2-CD2 4.39Å
217	I	90	Very high	89.4	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-39.9	-179.9	-67.1	166.9	0	0	0	110.7	R213 E214 D215 V220 K221 P249	R213-I217 HydrophobicContact CG-CD1 3.94Å; R213-I217 WeakPolarHBondContact O-CG1 3.39Å; R213-I217 PolarHBondContact O-N 3.28Å; E214-I217 PolarHBondContact O-N 3.42Å; D215-I217 VanDerWaalsContact C-N 3.33Å; D215-I217 PolarHBondContact O-N 3.49Å; I217-V220 PolarHBondContact O-N 2.89Å; I217-K221 HydrophobicContact CG2-CD 3.96Å; I217-K221 VanDerWaalsContact CG2-CE 3.49Å; I217-K221 HydrophobicContact CG2-CG 4.46Å; I217-K221 WeakPolarHBondContact O-CB 3.29Å; I217-K221 VanDerWaalsContact O-CG 3.29Å; I217-K221 WeakPolarHBondContact O-CG 3.4Å; I217-K221 PolarHBondContact O-N 2.71Å; I217-P249 HydrophobicContact CD1-CB 4.25Å; I217-P249 HydrophobicContact CD1-CG 3.79Å
218	S	88.1	Confident	89.2	Confident	37 Å²	37	48.5 Å²	48.5	26%	0.259	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-40.9	177.5	81.9	0	0	0	0	112	E214 D215 V216 K221 A222	E214-S218 WeakPolarHBondContact O-CB 3.49Å; E214-S218 PolarHBondContact O-N 3.49Å; D215-S218 PolarHBondContact O-N 3.1Å; D215-S218 VanDerWaalsContact O-N 3.13Å; D215-S218 PolarHBondContact O-OG 2.95Å; V216-S218 VanDerWaalsContact C-N 3.31Å; V216-S218 PolarHBondContact O-N 3.39Å; S218-K221 PolarHBondContact O-N 3.24Å; S218-A222 WeakPolarHBondContact O-CB 3.07Å; S218-A222 PolarHBondContact O-N 3.42Å
219	I	87.6	Confident	89.1	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-47.4	177	-70.7	167.2	0	0	0	110.3	I84 P97 M98 D215 V216 K221 A222 K223 F228	I84-I219 HydrophobicContact CD1-CG2 4.4Å; I84-I219 HydrophobicContact CG2-CG2 4.21Å; P97-I219 HydrophobicContact CB-CG2 3.59Å; P97-I219 HydrophobicContact CG-CG2 3.81Å; M98-I219 WeakPolarHBondContact O-CD1 3.35Å; D215-I219 VanDerWaalsContact O-CG1 3.31Å; D215-I219 WeakPolarHBondContact O-CG1 3.38Å; D215-I219 PolarHBondContact O-N 3.32Å; D215-I219 WeakPolarHBondContact OD2-CD1 3.44Å; V216-I219 PolarHBondContact O-N 3.41Å; I219-K221 VanDerWaalsContact C-N 3.34Å; I219-K221 PolarHBondContact O-N 2.82Å; I219-A222 PolarHBondContact O-N 3.34Å; I219-K223 HydrophobicContact CG2-CD 4.41Å; I219-K223 WeakPolarHBondContact O-CB 3.37Å; I219-K223 WeakPolarHBondContact O-CG 3.5Å; I219-K223 PolarHBondContact O-N 3.15Å; I219-F228 HydrophobicContact CB-CE2 4.5Å; I219-F228 HydrophobicContact CD1-CE2 4.3Å; I219-F228 HydrophobicContact CG2-CD2 4.49Å; I219-F228 HydrophobicContact CG2-CE2 4.12Å
220	V	87.8	Confident	88.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-45.6	179.6	173.3	0	0	0	0	110.4	V216 I217 K223 R224 E225 F228 A246	V216-V220 HydrophobicContact CG1-CG2 4.44Å; V216-V220 VanDerWaalsContact O-CG2 3.28Å; V216-V220 WeakPolarHBondContact O-CG2 3.34Å; V216-V220 PolarHBondContact O-N 3.02Å; I217-V220 PolarHBondContact O-N 2.89Å; V220-K223 PolarHBondContact O-N 3.47Å; V220-R224 PolarHBondContact O-N 3.03Å; V220-R224 VanDerWaalsContact O-N 3.07Å; V220-E225 WeakPolarHBondContact CG1-O 3.38Å; V220-E225 PolarHBondContact O-N 3.49Å; V220-E225 VanDerWaalsContact O-N 3.16Å; V220-F228 HydrophobicContact CG2-CB 3.94Å; V220-F228 HydrophobicContact CG2-CD2 3.98Å; V220-F228 HydrophobicContact CG2-CG 4.44Å; V220-A246 HydrophobicContact CG2-CB 4.34Å
221	K	85.4	Confident	88.6	Confident	136 Å²	136	46.1 Å²	46.1	59%	0.591	22%	0.22	S	C	*	.	H	α-helix	trans	-62.5	-44.1	175	-74.2	173.7	-179.3	171.6	0	112.5	I217 S218 I219 R224	I217-K221 HydrophobicContact CG2-CD 3.96Å; I217-K221 VanDerWaalsContact CG2-CE 3.49Å; I217-K221 HydrophobicContact CG2-CG 4.46Å; I217-K221 WeakPolarHBondContact O-CB 3.29Å; I217-K221 VanDerWaalsContact O-CG 3.29Å; I217-K221 WeakPolarHBondContact O-CG 3.4Å; I217-K221 PolarHBondContact O-N 2.71Å; S218-K221 PolarHBondContact O-N 3.24Å; I219-K221 VanDerWaalsContact C-N 3.34Å; I219-K221 PolarHBondContact O-N 2.82Å; K221-R224 PolarHBondContact O-N 3.37Å; K221-R224 VanDerWaalsContact O-N 3.14Å
222	A	83.8	Confident	88.1	Confident	27 Å²	27	42 Å²	42	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-38.1	179.6	0	0	0	0	0	112.2	L81 P82 I84 S218 I219 R224	L81-A222 HydrophobicContact CD2-CB 3.91Å; P82-A222 HydrophobicContact CG-CB 4.4Å; I84-A222 HydrophobicContact CD1-CB 3.88Å; S218-A222 WeakPolarHBondContact O-CB 3.07Å; S218-A222 PolarHBondContact O-N 3.42Å; I219-A222 PolarHBondContact O-N 3.34Å; A222-R224 VanDerWaalsContact C-N 3.28Å; A222-R224 PolarHBondContact O-N 2.66Å
223	K	82.3	Confident	87.4	Confident	53 Å²	53	44.3 Å²	44.3	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-74.7	-14.1	173.5	-75.7	-169.4	167	-162.3	0	114.4	I84 M86 I219 V220 E225	I84-K223 HydrophobicContact CD1-CG 3.8Å; M86-K223 VanDerWaalsContact CE-NZ 3.32Å; M86-K223 PolarHBondContact SD-NZ 3.13Å; I219-K223 HydrophobicContact CG2-CD 4.41Å; I219-K223 WeakPolarHBondContact O-CB 3.37Å; I219-K223 WeakPolarHBondContact O-CG 3.5Å; I219-K223 PolarHBondContact O-N 3.15Å; V220-K223 PolarHBondContact O-N 3.47Å; K223-E225 HydrophobicContact CB-CB 4.22Å; K223-E225 HydrophobicContact CB-CG 4.01Å; K223-E225 WeakPolarHBondContact CD-OE2 3.39Å; K223-E225 PolarHBondContact O-N 3.42Å
224	R	81.2	Confident	86.5	Confident	212 Å²	212	44.1 Å²	44.1	80%	0.8	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	28.9	-169.2	-53.4	177.2	177.4	167.8	-0.1	112.7	V220 K221 A222	V220-R224 PolarHBondContact O-N 3.03Å; V220-R224 VanDerWaalsContact O-N 3.07Å; K221-R224 PolarHBondContact O-N 3.37Å; K221-R224 VanDerWaalsContact O-N 3.14Å; A222-R224 VanDerWaalsContact C-N 3.28Å; A222-R224 PolarHBondContact O-N 2.66Å
225	E	83.9	Confident	85.7	Confident	72 Å²	72	43.5 Å²	43.5	34%	0.336	22%	0.219	S	C	.	.			trans	-93.1	169.2	172.6	-72.5	173.7	-177.4	0	0	109.2	V220 K223	V220-E225 WeakPolarHBondContact CG1-O 3.38Å; V220-E225 PolarHBondContact O-N 3.49Å; V220-E225 VanDerWaalsContact O-N 3.16Å; K223-E225 HydrophobicContact CB-CB 4.22Å; K223-E225 HydrophobicContact CB-CG 4.01Å; K223-E225 WeakPolarHBondContact CD-OE2 3.39Å; K223-E225 PolarHBondContact O-N 3.42Å
226	S	85.5	Confident	84.8	Confident	71 Å²	71	48.8 Å²	48.8	50%	0.497	24%	0.24	S	C	.	.	S	Bend	trans	-110.6	-1.1	171.6	-62	0	0	0	0	112.9	V245 A246 T247	S226-V245 WeakPolarHBondContact O-CA 3.16Å; S226-A246 PolarHBondContact O-N 2.78Å; S226-T247 WeakPolarHBondContact CA-OG1 3.28Å; S226-T247 PolarHBondContact O-OG1 2.82Å; S226-T247 VanDerWaalsContact O-OG1 3.13Å
227	V	88	Confident	84.2	Confident	45 Å²	45	51.9 Å²	51.9	27%	0.273	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.9	-171.4	-63.4	0	0	0	0	111.2	A243 H244 V245	V227-A243 HydrophobicContact CB-CB 3.98Å; V227-A243 HydrophobicContact CG1-CB 4.48Å; V227-A243 HydrophobicContact CG2-CB 3.97Å; V227-H244 CarbonylContact C-O 3.35Å; V227-H244 WeakPolarHBondContact CA-O 3.49Å; V227-V245 HydrophobicContact CG1-CG2 4.42Å
228	F	91	Very high	83.6	Confident	2 Å²	2	59 Å²	59	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	161.4	169.7	-165.8	-96.6	0	0	0	109.4	P97 I99 L105 V216 I219 V220 F230 A243 H244 A246	P97-F228 HydrophobicContact CB-CE2 4.3Å; P97-F228 HydrophobicContact CG-CD2 4.13Å; P97-F228 HydrophobicContact CG-CE2 3.68Å; P97-F228 HydrophobicContact CG-CZ 4.36Å; I99-F228 HydrophobicContact CD1-CE1 4Å; I99-F228 HydrophobicContact CD1-CZ 4.16Å; I99-F228 HydrophobicContact CG1-CE1 3.94Å; I99-F228 HydrophobicContact CG1-CZ 3.57Å; L105-F228 HydrophobicContact CD1-CD1 4.41Å; L105-F228 HydrophobicContact CD1-CE1 4.3Å; V216-F228 HydrophobicContact CB-CD2 4.49Å; V216-F228 HydrophobicContact CG1-CB 3.93Å; V216-F228 HydrophobicContact CG1-CD1 3.99Å; V216-F228 HydrophobicContact CG1-CD2 3.75Å; V216-F228 HydrophobicContact CG1-CE1 4.48Å; V216-F228 HydrophobicContact CG1-CE2 4.23Å; V216-F228 HydrophobicContact CG1-CG 3.61Å; V216-F228 HydrophobicContact CG2-CD1 4.25Å; V216-F228 HydrophobicContact CG2-CE1 3.97Å; V216-F228 HydrophobicContact CG2-CE2 4.2Å; V216-F228 HydrophobicContact CG2-CZ 3.95Å; I219-F228 HydrophobicContact CB-CE2 4.5Å; I219-F228 HydrophobicContact CD1-CE2 4.3Å; I219-F228 HydrophobicContact CG2-CD2 4.49Å; I219-F228 HydrophobicContact CG2-CE2 4.12Å; V220-F228 HydrophobicContact CG2-CB 3.94Å; V220-F228 HydrophobicContact CG2-CD2 3.98Å; V220-F228 HydrophobicContact CG2-CG 4.44Å; F228-F230 HydrophobicContact CB-CE2 3.89Å; F228-F230 HydrophobicContact CB-CZ 4.46Å; F228-F230 HydrophobicContact CD1-CD2 4.48Å; F228-F230 AromaticContact CD1-CE2 3.98Å; F228-F230 HydrophobicContact CD1-CE2 3.98Å; F228-F230 HydrophobicContact CD1-CZ 4.19Å; F228-F230 HydrophobicContact CG-CE2 4.45Å; F228-F230 VanDerWaalsContact O-CD2 3.3Å; F228-F230 WeakPolarHBondContact O-CD2 3.33Å; F228-F230 WeakPolarHBondContact O-CE2 3.46Å; F228-A243 CarbonylContact O-C 3.49Å; F228-A243 VanDerWaalsContact O-CA 3.3Å; F228-A243 WeakPolarHBondContact O-CA 3.49Å; F228-H244 PolarHBondContact N-O 3.44Å; F228-H244 PolarHBondContact O-N 2.93Å; F228-A246 HydrophobicContact CB-CB 3.72Å
229	Y	90.1	Very high	83.2	Confident	44 Å²	44	64.5 Å²	64.5	17%	0.173	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.9	-170.8	-65.2	-94.6	0	0	0	111.5	I94 H96 P97 P241 I242 A243	I94-Y229 HydrophobicContact CG2-CE1 4.35Å; H96-Y229 HydrophobicContact CB-CD1 4.12Å; H96-Y229 HydrophobicContact CB-CD2 3.73Å; H96-Y229 HydrophobicContact CB-CE2 4.31Å; H96-Y229 HydrophobicContact CB-CG 3.61Å; P97-Y229 HydrophobicContact CG-CD2 4.33Å; Y229-P241 HydrophobicContact CD1-CB 4.41Å; Y229-P241 HydrophobicContact CD1-CG 3.91Å; Y229-P241 HydrophobicContact CG-CG 4.4Å; Y229-I242 CarbonylContact C-O 3.59Å; Y229-I242 WeakPolarHBondContact CA-O 3.45Å; Y229-A243 HydrophobicContact CD1-CB 4.49Å; Y229-A243 HydrophobicContact CE1-CB 4.44Å
230	F	90.2	Very high	83	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.4	-176.8	-60.5	-105.7	0	0	0	110	L105 T174 Y183 F228 P241 I242 H244 L252	L105-F230 HydrophobicContact CB-CD1 3.6Å; L105-F230 HydrophobicContact CB-CE1 4.03Å; L105-F230 HydrophobicContact CB-CG 4.41Å; L105-F230 HydrophobicContact CD1-CD1 3.78Å; L105-F230 HydrophobicContact CD1-CE1 3.27Å; L105-F230 HydrophobicContact CD1-CZ 3.91Å; L105-F230 HydrophobicContact CG-CD1 4.31Å; L105-F230 HydrophobicContact CG-CE1 4.24Å; T174-F230 HydrophobicContact CG2-CD1 4.16Å; T174-F230 HydrophobicContact CG2-CE1 3.31Å; T174-F230 HydrophobicContact CG2-CE2 4.32Å; T174-F230 HydrophobicContact CG2-CZ 3.44Å; T174-F230 VanDerWaalsContact CG2-CZ 3.44Å; Y183-F230 HydrophobicContact CD1-CB 3.99Å; Y183-F230 AromaticContact CD1-CD1 3.62Å; Y183-F230 HydrophobicContact CD1-CD1 3.62Å; Y183-F230 HydrophobicContact CD1-CG 4.26Å; Y183-F230 HydrophobicContact CD2-CD1 4.43Å; Y183-F230 HydrophobicContact CE1-CB 3.69Å; Y183-F230 AromaticContact CE1-CD1 3.94Å; Y183-F230 HydrophobicContact CE1-CD1 3.94Å; Y183-F230 HydrophobicContact CE1-CG 4.19Å; Y183-F230 AromaticContact CG-CD1 3.89Å; Y183-F230 HydrophobicContact CG-CD1 3.89Å; Y183-F230 HydrophobicContact CG-CE1 4.48Å; F228-F230 HydrophobicContact CB-CE2 3.89Å; F228-F230 HydrophobicContact CB-CZ 4.46Å; F228-F230 HydrophobicContact CD1-CD2 4.48Å; F228-F230 AromaticContact CD1-CE2 3.98Å; F228-F230 HydrophobicContact CD1-CE2 3.98Å; F228-F230 HydrophobicContact CD1-CZ 4.19Å; F228-F230 HydrophobicContact CG-CE2 4.45Å; F228-F230 VanDerWaalsContact O-CD2 3.3Å; F228-F230 WeakPolarHBondContact O-CD2 3.33Å; F228-F230 WeakPolarHBondContact O-CE2 3.46Å; F230-P241 CarbonylContact O-C 3.4Å; F230-P241 VanDerWaalsContact O-CA 3.32Å; F230-P241 WeakPolarHBondContact O-CA 3.38Å; F230-P241 VanDerWaalsContact O-CB 3.31Å; F230-P241 WeakPolarHBondContact O-CB 3.23Å; F230-I242 PolarHBondContact N-O 3.35Å; F230-I242 PolarHBondContact O-N 2.96Å; F230-H244 HydrophobicContact CD2-CB 3.7Å; F230-H244 AromaticContact CD2-CD2 3.57Å; F230-H244 AromaticContact CD2-CG 3.97Å; F230-H244 HydrophobicContact CE2-CB 3.64Å; F230-H244 AromaticContact CG-CD2 3.85Å; F230-H244 HydrophobicContact CZ-CB 4.46Å; F230-L252 HydrophobicContact CE1-CD1 4.28Å; F230-L252 HydrophobicContact CZ-CD1 4.25Å
231	Y	87.8	Confident	82.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-107.4	110.8	174.4	-72.1	-84.4	0	0	0	109.6	I89 M93 H96 C104 L105 V106 R107 I191 F237 Q240 P241	I89-Y231 HydrophobicContact CD1-CE1 3.66Å; I89-Y231 HydrophobicContact CD1-CE2 3.88Å; I89-Y231 WeakPolarHBondContact CD1-OH 3.48Å; I89-Y231 WeakPolarHBondContact CG1-OH 3.47Å; M93-Y231 HydrophobicContact CE-CE1 4.49Å; H96-Y231 PolarHBondContact CD2-OH 2.79Å; H96-Y231 AromaticContact CE1-CE2 3.66Å; H96-Y231 AromaticContact NE2-CE2 3.46Å; H96-Y231 WeakPolarHBondContact NE2-CE2 3.36Å; H96-Y231 AromaticContact NE2-CZ 3.45Å; H96-Y231 PolarHBondContact NE2-OH 2.89Å; C104-Y231 HydrophobicContact CB-CD2 4.33Å; C104-Y231 HydrophobicContact CB-CE2 4.14Å; L105-Y231 PolarHBondContact O-N 2.92Å; V106-Y231 CarbonylContact C-O 3.54Å; V106-Y231 WeakPolarHBondContact CA-O 3.43Å; V106-Y231 HydrophobicContact CG2-CD2 4.48Å; R107-Y231 PolarHBondContact N-O 2.9Å; I191-Y231 HydrophobicContact CD1-CD1 4.47Å; I191-Y231 HydrophobicContact CD1-CD2 3.84Å; I191-Y231 HydrophobicContact CD1-CE2 3.99Å; I191-Y231 HydrophobicContact CD1-CG 4.11Å; Y231-F237 HydrophobicContact CD1-CD1 4.36Å; Y231-F237 HydrophobicContact CD1-CE1 4.17Å; Y231-F237 HydrophobicContact CE1-CD1 4.23Å; Y231-F237 HydrophobicContact CE1-CE1 4.12Å; Y231-Q240 HydrophobicContact CD1-CB 3.94Å; Y231-Q240 HydrophobicContact CE1-CB 4.14Å; Y231-P241 HydrophobicContact CD1-CB 4.22Å; Y231-P241 HydrophobicContact CD2-CB 4.46Å; Y231-P241 HydrophobicContact CE1-CB 3.85Å; Y231-P241 HydrophobicContact CE1-CG 4.44Å; Y231-P241 HydrophobicContact CE2-CB 4.11Å; Y231-P241 HydrophobicContact CG-CB 4.49Å
232	D	84.3	Confident	82.9	Confident	35 Å²	35	61.5 Å²	61.5	19%	0.187	30%	0.303	C	S	.	.	S	Bend	trans	-80.7	-30.4	176.8	-79.9	0.5	0	0	0	112.6	R107 Y183 I242 H244	R107-D232 IonicContact NH1-OD2 3.08Å; R107-D232 PolarHBondContact NH1-OD2 3.29Å; Y183-D232 WeakPolarHBondContact CE1-OD1 3.46Å; Y183-D232 VanDerWaalsContact CZ-OD1 3.3Å; Y183-D232 PolarHBondContact OH-OD1 3.12Å; D232-I242 HydrophobicContact CB-CD1 3.88Å; D232-I242 WeakPolarHBondContact OD2-CD1 3.33Å; D232-H244 IonicContact OD1-NE2 3.78Å
233	D	77.8	Confident	83	Confident	48 Å²	48	62.7 Å²	62.7	26%	0.257	31%	0.313	S	S	.	.			trans	-140.4	127.9	178.4	-170.9	-0.2	0	0	0	109.8	T235 Q240	D233-T235 VanDerWaalsContact CG-OG1 3.25Å; D233-T235 WeakPolarHBondContact OD1-CA 3.25Å; D233-T235 WeakPolarHBondContact OD1-CB 3.44Å; D233-T235 PolarHBondContact OD1-N 2.83Å; D233-T235 PolarHBondContact OD1-OG1 3.34Å; D233-T235 PolarHBondContact OD2-OG1 3.15Å; D233-T235 VanDerWaalsContact OD2-OG1 3.13Å; D233-Q240 WeakPolarHBondContact O-CG 3.36Å
234	I	76	Confident	83.2	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.097	31%	0.308	C	S	.	.	S	Bend	trans	-106.2	-1.8	175.6	60.5	173.1	0	0	0	112.4	V106 I191 Q192 F237	V106-I234 HydrophobicContact CB-CG2 4.46Å; V106-I234 HydrophobicContact CG1-CD1 4.18Å; V106-I234 HydrophobicContact CG1-CG1 4.42Å; V106-I234 HydrophobicContact CG1-CG2 3.52Å; V106-I234 HydrophobicContact CG2-CG2 4.05Å; I191-I234 HydrophobicContact CD1-CG2 4.24Å; I191-I234 HydrophobicContact CG1-CG2 4.35Å; Q192-I234 PolarHBondContact NE2-O 3.24Å; Q192-I234 VanDerWaalsContact NE2-O 3.1Å; I234-F237 HydrophobicContact CB-CZ 4.4Å
235	T	74.7	Confident	83.4	Confident	73 Å²	73	54.5 Å²	54.5	45%	0.448	29%	0.289	S	S	.	.	S	Bend	trans	-83.3	-44.8	174.6	68.4	0	0	0	0	110.6	D233	D233-T235 VanDerWaalsContact CG-OG1 3.25Å; D233-T235 WeakPolarHBondContact OD1-CA 3.25Å; D233-T235 WeakPolarHBondContact OD1-CB 3.44Å; D233-T235 PolarHBondContact OD1-N 2.83Å; D233-T235 PolarHBondContact OD1-OG1 3.34Å; D233-T235 PolarHBondContact OD2-OG1 3.15Å; D233-T235 VanDerWaalsContact OD2-OG1 3.13Å
236	F	73.8	Confident	83.6	Confident	141 Å²	141	51.1 Å²	51.1	62%	0.618	27%	0.273	S	S	*	.			trans	-120.6	107.4	172.9	-58.9	-79.9	0	0	0	110.2	E238	F236-E238 PolarHBondContact O-N 3.03Å
237	F	78.1	Confident	83.5	Confident	66 Å²	66	50 Å²	50	29%	0.289	26%	0.264	S	S	.	.			trans	-73.7	13.3	179.6	-73.6	-73.6	0	0	0	114.5	I89 M93 Y231 I234 N239 Q240	I89-F237 HydrophobicContact CD1-CE1 4.21Å; I89-F237 HydrophobicContact CG2-CZ 4.45Å; M93-F237 HydrophobicContact CE-CB 3.84Å; M93-F237 HydrophobicContact CE-CD1 3.91Å; M93-F237 HydrophobicContact CE-CG 4.26Å; M93-F237 HydrophobicContact SD-CB 4.19Å; Y231-F237 HydrophobicContact CD1-CD1 4.36Å; Y231-F237 HydrophobicContact CD1-CE1 4.17Å; Y231-F237 HydrophobicContact CE1-CD1 4.23Å; Y231-F237 HydrophobicContact CE1-CE1 4.12Å; I234-F237 HydrophobicContact CB-CZ 4.4Å; F237-N239 PolarHBondContact O-N 2.99Å; F237-Q240 HydrophobicContact CD1-CB 4.4Å; F237-Q240 PolarHBondContact O-N 2.63Å
238	E	77.6	Confident	83.4	Confident	152 Å²	152	49.2 Å²	49.2	71%	0.71	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	127.3	177.7	-64.4	-173.5	179.6	0	0	110.1	F236 Q240	F236-E238 PolarHBondContact O-N 3.03Å; E238-Q240 PolarHBondContact O-N 2.8Å
239	N	79.9	Confident	83	Confident	151 Å²	151	51.4 Å²	51.4	81%	0.807	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	18.3	-177.3	-51.4	-44.9	0	0	0	115.7	F237	F237-N239 PolarHBondContact O-N 2.99Å
240	Q	83.1	Confident	82.9	Confident	18 Å²	18	55.3 Å²	55.3	8%	0.084	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-95.6	158.9	173.1	-59.6	-66.5	-29.5	0	0	110.8	M93 Y231 D233 F237 E238	M93-Q240 VanDerWaalsContact CE-C 3.45Å; M93-Q240 HydrophobicContact CE-CB 3.83Å; M93-Q240 WeakPolarHBondContact CE-O 3.41Å; Y231-Q240 HydrophobicContact CD1-CB 3.94Å; Y231-Q240 HydrophobicContact CE1-CB 4.14Å; D233-Q240 WeakPolarHBondContact O-CG 3.36Å; F237-Q240 HydrophobicContact CD1-CB 4.4Å; F237-Q240 PolarHBondContact O-N 2.63Å; E238-Q240 PolarHBondContact O-N 2.8Å
241	P	85.5	Confident	82.8	Confident	8 Å²	8	61 Å²	61	5%	0.052	32%	0.323	C	S	.	.	S	Bend	cis	-71	156	-18	31.9	-35.8	0	0	0	112.4	H96 Y229 F230 Y231	H96-P241 HydrophobicContact CB-CG 4.36Å; Y229-P241 HydrophobicContact CD1-CB 4.41Å; Y229-P241 HydrophobicContact CD1-CG 3.91Å; Y229-P241 HydrophobicContact CG-CG 4.4Å; F230-P241 CarbonylContact O-C 3.4Å; F230-P241 VanDerWaalsContact O-CA 3.32Å; F230-P241 WeakPolarHBondContact O-CA 3.38Å; F230-P241 VanDerWaalsContact O-CB 3.31Å; F230-P241 WeakPolarHBondContact O-CB 3.23Å; Y231-P241 HydrophobicContact CD1-CB 4.22Å; Y231-P241 HydrophobicContact CD2-CB 4.46Å; Y231-P241 HydrophobicContact CE1-CB 3.85Å; Y231-P241 HydrophobicContact CE1-CG 4.44Å; Y231-P241 HydrophobicContact CE2-CB 4.11Å; Y231-P241 HydrophobicContact CG-CB 4.49Å
242	I	85.5	Confident	82.9	Confident	55 Å²	55	61 Å²	61	28%	0.282	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.2	179.8	-61.8	171.2	0	0	0	110.2	Y229 F230 D232	Y229-I242 CarbonylContact C-O 3.59Å; Y229-I242 WeakPolarHBondContact CA-O 3.45Å; F230-I242 PolarHBondContact N-O 3.35Å; F230-I242 PolarHBondContact O-N 2.96Å; D232-I242 HydrophobicContact CB-CD1 3.88Å; D232-I242 WeakPolarHBondContact OD2-CD1 3.33Å
243	A	86.6	Confident	83.3	Confident	52 Å²	52	60.8 Å²	60.8	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.2	-180	0	0	0	0	0	111.3	V227 F228 Y229	V227-A243 HydrophobicContact CB-CB 3.98Å; V227-A243 HydrophobicContact CG1-CB 4.48Å; V227-A243 HydrophobicContact CG2-CB 3.97Å; F228-A243 CarbonylContact O-C 3.49Å; F228-A243 VanDerWaalsContact O-CA 3.3Å; F228-A243 WeakPolarHBondContact O-CA 3.49Å; Y229-A243 HydrophobicContact CD1-CB 4.49Å; Y229-A243 HydrophobicContact CE1-CB 4.44Å
244	H	86.8	Confident	84.1	Confident	24 Å²	24	58.7 Å²	58.7	11%	0.111	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153	171.9	-64.5	-99.5	0	0	0	111.1	V227 F228 F230 D232 A246	V227-H244 CarbonylContact C-O 3.35Å; V227-H244 WeakPolarHBondContact CA-O 3.49Å; F228-H244 PolarHBondContact N-O 3.44Å; F228-H244 PolarHBondContact O-N 2.93Å; F230-H244 HydrophobicContact CD2-CB 3.7Å; F230-H244 AromaticContact CD2-CD2 3.57Å; F230-H244 AromaticContact CD2-CG 3.97Å; F230-H244 HydrophobicContact CE2-CB 3.64Å; F230-H244 AromaticContact CG-CD2 3.85Å; F230-H244 HydrophobicContact CZ-CB 4.46Å; D232-H244 IonicContact OD1-NE2 3.78Å; H244-A246 PolarHBondContact O-N 3.11Å
245	V	85.9	Confident	84.8	Confident	69 Å²	69	57.8 Å²	57.8	42%	0.418	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.1	179.3	179.5	0	0	0	0	110.3	S226 V227 Y251	S226-V245 WeakPolarHBondContact O-CA 3.16Å; V227-V245 HydrophobicContact CG1-CG2 4.42Å; V245-Y251 HydrophobicContact CG1-CD1 4.11Å; V245-Y251 HydrophobicContact CG1-CD2 4.17Å; V245-Y251 HydrophobicContact CG1-CE1 4.36Å; V245-Y251 HydrophobicContact CG1-CE2 4.43Å; V245-Y251 HydrophobicContact CG1-CG 4.01Å
246	A	86.5	Confident	85.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.			trans	-144.6	28.8	-177.3	0	0	0	0	0	113.2	V216 V220 S226 F228 H244 A248	V216-A246 HydrophobicContact CG1-CB 3.94Å; V220-A246 HydrophobicContact CG2-CB 4.34Å; S226-A246 PolarHBondContact O-N 2.78Å; F228-A246 HydrophobicContact CB-CB 3.72Å; H244-A246 PolarHBondContact O-N 3.11Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 2.63Å
247	T	84.1	Confident	86.5	Confident	48 Å²	48	55 Å²	55	29%	0.294	29%	0.29	S	S	.	.	S	Bend	trans	-70.5	-26.4	-172.1	-36	0	0	0	0	114	S226	S226-T247 WeakPolarHBondContact CA-OG1 3.28Å; S226-T247 PolarHBondContact O-OG1 2.82Å; S226-T247 VanDerWaalsContact O-OG1 3.13Å
248	A	85.8	Confident	87.1	Confident	28 Å²	28	51.9 Å²	51.9	23%	0.231	28%	0.276	C	S	.	.	S	Bend	trans	-139.6	157.8	-175.2	0	0	0	0	0	110.7	A246 D250 Y251	A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 2.63Å; A248-D250 PolarHBondContact O-N 3.16Å; A248-D250 VanDerWaalsContact O-N 3.14Å; A248-Y251 HydrophobicContact CB-CD2 3.99Å; A248-Y251 HydrophobicContact CB-CE2 4.29Å; A248-Y251 PolarHBondContact O-N 3.35Å
249	P	83.8	Confident	87.8	Confident	48 Å²	48	44.6 Å²	44.6	31%	0.312	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-54	-32.2	176.2	-24.6	33.6	0	0	0	113.1	I217 Y251 L252	I217-P249 HydrophobicContact CD1-CB 4.25Å; I217-P249 HydrophobicContact CD1-CG 3.79Å; P249-Y251 PolarHBondContact O-N 3.23Å; P249-Y251 VanDerWaalsContact O-N 3.11Å; P249-L252 CarbonylContact O-C 3.53Å; P249-L252 PolarHBondContact O-N 3.41Å; P249-L252 VanDerWaalsContact O-N 3.1Å; P249-L252 VanDerWaalsContact O-O 3.08Å
250	D	86.4	Confident	88.4	Confident	127 Å²	127	40.3 Å²	40.3	68%	0.679	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-64.1	-14.3	179.5	-60	-17.7	0	0	0	114.3	W180 A248	W180-D250 WeakPolarHBondContact CH2-O 3.36Å; A248-D250 PolarHBondContact O-N 3.16Å; A248-D250 VanDerWaalsContact O-N 3.14Å
251	Y	88	Confident	88.7	Confident	119 Å²	119	40.7 Å²	40.7	47%	0.467	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-101.8	-9.2	177.1	-64.4	-74.1	0	0	0	113.6	V245 A248 P249	V245-Y251 HydrophobicContact CG1-CD1 4.11Å; V245-Y251 HydrophobicContact CG1-CD2 4.17Å; V245-Y251 HydrophobicContact CG1-CE1 4.36Å; V245-Y251 HydrophobicContact CG1-CE2 4.43Å; V245-Y251 HydrophobicContact CG1-CG 4.01Å; A248-Y251 HydrophobicContact CB-CD2 3.99Å; A248-Y251 HydrophobicContact CB-CE2 4.29Å; A248-Y251 PolarHBondContact O-N 3.35Å; P249-Y251 PolarHBondContact O-N 3.23Å; P249-Y251 VanDerWaalsContact O-N 3.11Å
252	L	91.1	Very high	88.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	92.8	-175.4	-175.5	65.6	0	0	0	109.2	L172 F173 T174 R213 V216 F230 P249	L172-L252 HydrophobicContact CB-CD1 3.86Å; L172-L252 HydrophobicContact CB-CG 4.48Å; L172-L252 HydrophobicContact CD1-CD1 4.05Å; L172-L252 HydrophobicContact CD1-CD2 3.96Å; L172-L252 HydrophobicContact CD1-CG 4.11Å; F173-L252 CarbonylContact O-C 3.51Å; F173-L252 WeakPolarHBondContact O-CA 3.4Å; T174-L252 HydrophobicContact CG2-CD1 3.48Å; T174-L252 VanDerWaalsContact CG2-CD1 3.48Å; R213-L252 HydrophobicContact CB-CD2 4.39Å; R213-L252 WeakPolarHBondContact CD-O 3.49Å; R213-L252 HydrophobicContact CG-CB 4.37Å; R213-L252 HydrophobicContact CG-CD2 3.9Å; R213-L252 HydrophobicContact CG-CG 4.05Å; V216-L252 HydrophobicContact CB-CD2 3.98Å; V216-L252 HydrophobicContact CG1-CD2 3.73Å; V216-L252 HydrophobicContact CG2-CD2 4.39Å; F230-L252 HydrophobicContact CE1-CD1 4.28Å; F230-L252 HydrophobicContact CZ-CD1 4.25Å; P249-L252 CarbonylContact O-C 3.53Å; P249-L252 PolarHBondContact O-N 3.41Å; P249-L252 VanDerWaalsContact O-N 3.1Å; P249-L252 VanDerWaalsContact O-O 3.08Å
253	L	93.1	Very high	88.9	Confident	31 Å²	31	38.7 Å²	38.7	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.3	-173.9	-59.9	-179.8	0	0	0	112	F173 W180 V258	F173-L253 HydrophobicContact CB-CB 4.25Å; F173-L253 PolarHBondContact N-O 2.84Å; F173-L253 PolarHBondContact O-N 3.3Å; W180-L253 HydrophobicContact CD2-CD1 3.61Å; W180-L253 HydrophobicContact CD2-CG 4.29Å; W180-L253 HydrophobicContact CE3-CB 4.37Å; W180-L253 HydrophobicContact CE3-CD1 3.68Å; W180-L253 HydrophobicContact CE3-CG 3.84Å; W180-L253 HydrophobicContact CG-CD1 4.27Å; W180-L253 HydrophobicContact CH2-CD1 3.96Å; W180-L253 HydrophobicContact CH2-CG 3.9Å; W180-L253 HydrophobicContact CZ2-CD1 3.87Å; W180-L253 HydrophobicContact CZ2-CG 4.31Å; W180-L253 HydrophobicContact CZ3-CB 4.41Å; W180-L253 HydrophobicContact CZ3-CD1 3.86Å; W180-L253 HydrophobicContact CZ3-CG 3.63Å; L253-V258 HydrophobicContact CB-CG2 3.78Å; L253-V258 HydrophobicContact CD1-CG2 4.1Å
254	V	93.6	Very high	88.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	154.1	170.2	177.3	0	0	0	0	109.6	L172 E209 V210 R213 E256 E257 V258	L172-V254 HydrophobicContact CD2-CG2 4.34Å; E209-V254 HydrophobicContact CB-CG1 3.67Å; E209-V254 WeakPolarHBondContact OE2-CG1 3.46Å; V210-V254 HydrophobicContact CG2-CG1 4.43Å; V210-V254 HydrophobicContact CG2-CG2 4.17Å; R213-V254 HydrophobicContact CB-CG2 4.45Å; V254-E256 VanDerWaalsContact C-N 3.26Å; V254-E256 HydrophobicContact CG1-CB 4.46Å; V254-E256 PolarHBondContact O-N 3.38Å; V254-E257 HydrophobicContact CB-CG 4.37Å; V254-E257 PolarHBondContact N-OE2 3.11Å; V254-E257 WeakPolarHBondContact O-CB 3Å; V254-E257 PolarHBondContact O-N 3.41Å; V254-V258 PolarHBondContact O-N 3.08Å; V254-V258 VanDerWaalsContact O-N 3.15Å
255	G	90.7	Very high	88.5	Confident	1 Å²	1	44 Å²	44	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-52.5	-43.8	178.6	0	0	0	0	0	113.1	E257 V258 Y259	G255-E257 VanDerWaalsContact C-N 3.32Å; G255-E257 PolarHBondContact O-N 3.05Å; G255-V258 PolarHBondContact O-N 3.44Å; G255-Y259 WeakPolarHBondContact O-CD2 3.39Å; G255-Y259 PolarHBondContact O-N 2.8Å
256	E	91.7	Very high	88.3	Confident	78 Å²	78	43 Å²	43	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-56.7	-41.4	175.8	-178.7	172.6	-179.3	0	0	113.5	Q206 V254 N260 Y271	Q206-E256 PolarHBondContact NE2-OE2 3.11Å; V254-E256 VanDerWaalsContact C-N 3.26Å; V254-E256 HydrophobicContact CG1-CB 4.46Å; V254-E256 PolarHBondContact O-N 3.38Å; E256-N260 VanDerWaalsContact CG-ND2 3.25Å; E256-N260 WeakPolarHBondContact CG-ND2 3.25Å; E256-N260 WeakPolarHBondContact O-CB 3.09Å; E256-N260 PolarHBondContact O-N 3.32Å; E256-N260 PolarHBondContact O-ND2 3.24Å; E256-Y271 HydrophobicContact CB-CE1 4.2Å; E256-Y271 HydrophobicContact CG-CE1 4.21Å
257	E	92.2	Very high	87.8	Confident	77 Å²	77	51.6 Å²	51.6	36%	0.36	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-37.9	179.5	-64.3	170.6	159	0	0	111.2	R213 V254 G255 G261	R213-E257 IonicContact CZ-OE1 2.73Å; R213-E257 VanDerWaalsContact NH1-CD 3.25Å; R213-E257 IonicContact NH1-OE1 3.02Å; R213-E257 PolarHBondContact NH1-OE1 2.93Å; R213-E257 IonicContact NH1-OE2 2.7Å; R213-E257 PolarHBondContact NH1-OE2 2.93Å; R213-E257 VanDerWaalsContact NH1-OE2 3.08Å; V254-E257 HydrophobicContact CB-CG 4.37Å; V254-E257 PolarHBondContact N-OE2 3.11Å; V254-E257 WeakPolarHBondContact O-CB 3Å; V254-E257 PolarHBondContact O-N 3.41Å; G255-E257 VanDerWaalsContact C-N 3.32Å; G255-E257 PolarHBondContact O-N 3.05Å; E257-G261 WeakPolarHBondContact O-CA 3.4Å; E257-G261 PolarHBondContact O-N 3.22Å
258	V	92	Very high	87.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-51.8	176.9	174.4	0	0	0	0	111.3	Y146 I149 F173 L253 V254 G255 G261 A262	Y146-V258 HydrophobicContact CD2-CG1 3.96Å; I149-V258 HydrophobicContact CD1-CG1 3.98Å; F173-V258 HydrophobicContact CB-CG2 3.87Å; F173-V258 HydrophobicContact CD1-CG1 4.29Å; F173-V258 HydrophobicContact CD1-CG2 4.07Å; F173-V258 HydrophobicContact CD2-CB 4.39Å; F173-V258 HydrophobicContact CD2-CG2 3.66Å; F173-V258 HydrophobicContact CE1-CG1 4.11Å; F173-V258 HydrophobicContact CE2-CB 4.43Å; F173-V258 HydrophobicContact CE2-CG2 4.18Å; F173-V258 HydrophobicContact CG-CG2 3.61Å; F173-V258 HydrophobicContact CZ-CG1 4.28Å; L253-V258 HydrophobicContact CB-CG2 3.78Å; L253-V258 HydrophobicContact CD1-CG2 4.1Å; V254-V258 PolarHBondContact O-N 3.08Å; V254-V258 VanDerWaalsContact O-N 3.15Å; G255-V258 PolarHBondContact O-N 3.44Å; V258-G261 PolarHBondContact O-N 3.29Å; V258-A262 PolarHBondContact O-N 3.41Å; V258-A262 VanDerWaalsContact O-N 3.09Å
259	Y	92.4	Very high	87.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-46	-179.8	-78.5	-80.5	0	0	0	111.7	I149 V163 N165 G255 G261 A262 I263 Y271 T338	I149-Y259 HydrophobicContact CD1-CD1 3.91Å; I149-Y259 HydrophobicContact CD1-CE1 3.6Å; I149-Y259 HydrophobicContact CD1-CE2 4.37Å; I149-Y259 HydrophobicContact CD1-CG 4.43Å; I149-Y259 HydrophobicContact CG1-CE1 4.14Å; I149-Y259 HydrophobicContact CG2-CD1 4.2Å; I149-Y259 HydrophobicContact CG2-CE1 4.43Å; V163-Y259 HydrophobicContact CG1-CD1 3.73Å; V163-Y259 HydrophobicContact CG1-CE1 3.96Å; N165-Y259 HydrophobicContact CB-CE2 4.08Å; N165-Y259 WeakPolarHBondContact ND2-CE2 3.47Å; G255-Y259 WeakPolarHBondContact O-CD2 3.39Å; G255-Y259 PolarHBondContact O-N 2.8Å; Y259-G261 VanDerWaalsContact C-N 3.33Å; Y259-G261 PolarHBondContact O-N 3.08Å; Y259-A262 PolarHBondContact O-N 3.21Å; Y259-I263 WeakPolarHBondContact O-CD1 3.21Å; Y259-I263 VanDerWaalsContact O-CG1 3.27Å; Y259-I263 WeakPolarHBondContact O-CG1 3.32Å; Y259-I263 PolarHBondContact O-N 3.45Å; Y259-I263 VanDerWaalsContact O-N 3.17Å; Y259-Y271 VanDerWaalsContact CB-CD2 3.47Å; Y259-Y271 VanDerWaalsContact CB-CE2 3.48Å; Y259-Y271 AromaticContact CD1-CD2 3.99Å; Y259-Y271 HydrophobicContact CD1-CD2 3.99Å; Y259-Y271 AromaticContact CD1-CE2 3.86Å; Y259-Y271 HydrophobicContact CD1-CE2 3.86Å; Y259-Y271 HydrophobicContact CD2-CD2 4.26Å; Y259-Y271 AromaticContact CD2-CE2 3.43Å; Y259-Y271 HydrophobicContact CD2-CE2 3.43Å; Y259-Y271 VanDerWaalsContact CD2-CE2 3.43Å; Y259-Y271 AromaticContact CD2-CZ 3.72Å; Y259-Y271 HydrophobicContact CE1-CE2 4.47Å; Y259-Y271 HydrophobicContact CE2-CE2 4.14Å; Y259-Y271 AromaticContact CG-CD2 3.66Å; Y259-Y271 HydrophobicContact CG-CD2 3.66Å; Y259-Y271 AromaticContact CG-CE2 3.3Å; Y259-Y271 HydrophobicContact CG-CE2 3.3Å; Y259-Y271 AromaticContact CG-CZ 3.92Å; Y259-T338 HydrophobicContact CE1-CG2 4.05Å; Y259-T338 VanDerWaalsContact OH-CB 3.32Å; Y259-T338 WeakPolarHBondContact OH-CB 3.45Å; Y259-T338 PolarHBondContact OH-OG1 2.91Å
260	N	91.5	Very high	87.9	Confident	60 Å²	60	51.5 Å²	51.5	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-41.9	176.1	-75.5	-30.8	0	0	0	110.9	E256 A262 I263 V264	E256-N260 VanDerWaalsContact CG-ND2 3.25Å; E256-N260 WeakPolarHBondContact CG-ND2 3.25Å; E256-N260 WeakPolarHBondContact O-CB 3.09Å; E256-N260 PolarHBondContact O-N 3.32Å; E256-N260 PolarHBondContact O-ND2 3.24Å; N260-A262 PolarHBondContact O-N 3.49Å; N260-I263 CarbonylContact O-C 3.53Å; N260-I263 WeakPolarHBondContact O-CA 3.46Å; N260-I263 PolarHBondContact O-N 2.96Å; N260-V264 VanDerWaalsContact O-CG2 3.31Å; N260-V264 WeakPolarHBondContact O-CG2 3.5Å; N260-V264 PolarHBondContact O-N 3.23Å
261	G	88.9	Confident	88.1	Confident	27 Å²	27	46.8 Å²	46.8	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-28.3	175.5	0	0	0	0	0	114	Y146 E257 V258 Y259	Y146-G261 PolarHBondContact OH-O 3.34Å; E257-G261 WeakPolarHBondContact O-CA 3.4Å; E257-G261 PolarHBondContact O-N 3.22Å; V258-G261 PolarHBondContact O-N 3.29Å; Y259-G261 VanDerWaalsContact C-N 3.33Å; Y259-G261 PolarHBondContact O-N 3.08Å
262	A	87.7	Confident	88.4	Confident	4 Å²	4	42 Å²	42	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-82.3	-20.7	173.7	0	0	0	0	0	113.5	Y146 I149 K150 I153 V258 Y259 N260	Y146-A262 HydrophobicContact CE2-CB 4.21Å; I149-A262 HydrophobicContact CB-CB 4.21Å; I149-A262 HydrophobicContact CG2-CB 3.54Å; K150-A262 HydrophobicContact CB-CB 4.37Å; I153-A262 HydrophobicContact CD1-CB 4.06Å; V258-A262 PolarHBondContact O-N 3.41Å; V258-A262 VanDerWaalsContact O-N 3.09Å; Y259-A262 PolarHBondContact O-N 3.21Å; N260-A262 PolarHBondContact O-N 3.49Å
263	I	87.4	Confident	88.6	Confident	16 Å²	16	42.1 Å²	42.1	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-90.6	-26.5	179	-67	166.5	0	0	0	112.1	I153 V163 Y259 N260 G265 K266 I269	I153-I263 HydrophobicContact CD1-CG1 3.85Å; V163-I263 HydrophobicContact CG2-CD1 4.29Å; Y259-I263 WeakPolarHBondContact O-CD1 3.21Å; Y259-I263 VanDerWaalsContact O-CG1 3.27Å; Y259-I263 WeakPolarHBondContact O-CG1 3.32Å; Y259-I263 PolarHBondContact O-N 3.45Å; Y259-I263 VanDerWaalsContact O-N 3.17Å; N260-I263 CarbonylContact O-C 3.53Å; N260-I263 WeakPolarHBondContact O-CA 3.46Å; N260-I263 PolarHBondContact O-N 2.96Å; I263-G265 PolarHBondContact O-N 2.94Å; I263-K266 WeakPolarHBondContact O-CB 3.47Å; I263-K266 PolarHBondContact O-N 3.26Å; I263-I269 HydrophobicContact CD1-CG2 4.03Å; I263-I269 HydrophobicContact CG1-CG2 3.81Å; I263-I269 HydrophobicContact CG2-CB 3.96Å; I263-I269 HydrophobicContact CG2-CG2 4Å
264	V	85.4	Confident	88.7	Confident	115 Å²	115	40.6 Å²	40.6	70%	0.697	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.9	127.5	-178.9	165.4	0	0	0	0	111.4	N260	N260-V264 VanDerWaalsContact O-CG2 3.31Å; N260-V264 WeakPolarHBondContact O-CG2 3.5Å; N260-V264 PolarHBondContact O-N 3.23Å
265	G	80.6	Confident	88.8	Confident	74 Å²	74	40.7 Å²	40.7	76%	0.763	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-3.4	-178.8	0	0	0	0	0	115.5	I263	I263-G265 PolarHBondContact O-N 2.94Å
266	K	80.7	Confident	89	Confident	47 Å²	47	40.8 Å²	40.8	20%	0.204	24%	0.236	C	C	.	.			trans	-107.8	118.4	179.4	-59.7	180	-177.5	174.9	0	111.7	I153 N154 I263 I269	I153-K266 HydrophobicContact CG2-CD 3.44Å; I153-K266 VanDerWaalsContact CG2-CD 3.44Å; I153-K266 PolarHBondContact O-NZ 3.49Å; N154-K266 VanDerWaalsContact N-NZ 3.15Å; N154-K266 WeakPolarHBondContact OD1-CE 3.39Å; N154-K266 PolarHBondContact OD1-NZ 3.3Å; I263-K266 WeakPolarHBondContact O-CB 3.47Å; I263-K266 PolarHBondContact O-N 3.26Å; K266-I269 HydrophobicContact CB-CD1 3.76Å; K266-I269 HydrophobicContact CB-CG1 4.19Å; K266-I269 HydrophobicContact CD-CD1 3.71Å; K266-I269 HydrophobicContact CG-CD1 4.37Å
267	H	77.4	Confident	88.9	Confident	180 Å²	180	37.5 Å²	37.5	83%	0.833	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	135.7	177.8	-64.6	-67.6	0	0	0	111.7
268	G	79.1	Confident	88.7	Confident	44 Å²	44	35 Å²	35	45%	0.454	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	6.2	175.4	0	0	0	0	0	115.5	K160 C161	K160-G268 VanDerWaalsContact CA-O 3.31Å; K160-G268 WeakPolarHBondContact CA-O 3.45Å; C161-G268 PolarHBondContact N-O 3.02Å; C161-G268 VanDerWaalsContact N-O 3.13Å
269	I	86.7	Confident	88.4	Confident	17 Å²	17	35.6 Å²	35.6	9%	0.087	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.5	172.9	-53.3	-173.3	0	0	0	109	I153 C161 V163 I263 K266	I153-I269 HydrophobicContact CG2-CD1 3.39Å; C161-I269 HydrophobicContact CB-CB 4.49Å; C161-I269 HydrophobicContact CB-CD1 4.38Å; C161-I269 HydrophobicContact CB-CG1 4.03Å; C161-I269 HydrophobicContact CB-CG2 4.13Å; C161-I269 CarbonylContact O-C 3.28Å; C161-I269 VanDerWaalsContact O-CA 3.23Å; C161-I269 WeakPolarHBondContact O-CA 3.38Å; V163-I269 HydrophobicContact CG2-CG2 3.91Å; I263-I269 HydrophobicContact CD1-CG2 4.03Å; I263-I269 HydrophobicContact CG1-CG2 3.81Å; I263-I269 HydrophobicContact CG2-CB 3.96Å; I263-I269 HydrophobicContact CG2-CG2 4Å; K266-I269 HydrophobicContact CB-CD1 3.76Å; K266-I269 HydrophobicContact CB-CG1 4.19Å; K266-I269 HydrophobicContact CD-CD1 3.71Å; K266-I269 HydrophobicContact CG-CD1 4.37Å
270	R	88.6	Confident	88.3	Confident	61 Å²	61	38 Å²	38	23%	0.23	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.5	179.5	-55.7	-158.8	-49.1	-116.6	-5.9	110.8	C161 L162 V163 E293 H296 I297 D300	C161-R270 PolarHBondContact O-N 2.97Å; L162-R270 HydrophobicContact CD1-CB 4.17Å; V163-R270 PolarHBondContact N-O 2.66Å; R270-E293 IonicContact CZ-OE2 2.65Å; R270-E293 IonicContact NE-OE2 3.81Å; R270-E293 PolarHBondContact NE-OE2 3.36Å; R270-E293 PolarHBondContact NH2-O 2.91Å; R270-E293 IonicContact NH2-OE2 2.76Å; R270-E293 PolarHBondContact NH2-OE2 3.06Å; R270-H296 VanDerWaalsContact CZ-CB 3.48Å; R270-I297 VanDerWaalsContact NH2-CG1 3.32Å; R270-D300 IonicContact NH1-OD2 3.88Å
271	Y	92.2	Very high	88.4	Confident	29 Å²	29	35.3 Å²	35.3	11%	0.114	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	180	168.2	-108.5	0	0	0	110.6	V163 N165 E256 Y259 R273	V163-Y271 HydrophobicContact CB-CD2 4.42Å; V163-Y271 HydrophobicContact CG1-CD2 4.23Å; V163-Y271 CarbonylContact O-C 3.59Å; V163-Y271 VanDerWaalsContact O-CA 3.32Å; V163-Y271 WeakPolarHBondContact O-CA 3.27Å; N165-Y271 HydrophobicContact CB-CE2 3.76Å; E256-Y271 HydrophobicContact CB-CE1 4.2Å; E256-Y271 HydrophobicContact CG-CE1 4.21Å; Y259-Y271 VanDerWaalsContact CB-CD2 3.47Å; Y259-Y271 VanDerWaalsContact CB-CE2 3.48Å; Y259-Y271 AromaticContact CD1-CD2 3.99Å; Y259-Y271 HydrophobicContact CD1-CD2 3.99Å; Y259-Y271 AromaticContact CD1-CE2 3.86Å; Y259-Y271 HydrophobicContact CD1-CE2 3.86Å; Y259-Y271 HydrophobicContact CD2-CD2 4.26Å; Y259-Y271 AromaticContact CD2-CE2 3.43Å; Y259-Y271 HydrophobicContact CD2-CE2 3.43Å; Y259-Y271 VanDerWaalsContact CD2-CE2 3.43Å; Y259-Y271 AromaticContact CD2-CZ 3.72Å; Y259-Y271 HydrophobicContact CE1-CE2 4.47Å; Y259-Y271 HydrophobicContact CE2-CE2 4.14Å; Y259-Y271 AromaticContact CG-CD2 3.66Å; Y259-Y271 HydrophobicContact CG-CD2 3.66Å; Y259-Y271 AromaticContact CG-CE2 3.3Å; Y259-Y271 HydrophobicContact CG-CE2 3.3Å; Y259-Y271 AromaticContact CG-CZ 3.92Å; Y271-R273 WeakPolarHBondContact OH-CD 3.25Å
272	I	94.4	Very high	88.6	Confident	18 Å²	18	34.2 Å²	34.2	9%	0.092	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.4	171.7	-175.1	166.7	0	0	0	111.3	L162 V163 I164 N165 L274 R289 E293	L162-I272 HydrophobicContact CD1-CG2 4.15Å; V163-I272 PolarHBondContact O-N 2.87Å; I164-I272 WeakPolarHBondContact CA-O 3.42Å; I164-I272 HydrophobicContact CB-CG2 4.22Å; I164-I272 HydrophobicContact CG1-CG2 3.91Å; I164-I272 HydrophobicContact CG2-CG2 4.06Å; N165-I272 PolarHBondContact N-O 3.2Å; I272-L274 HydrophobicContact CD1-CD2 3.74Å; I272-L274 HydrophobicContact CD1-CG 4.3Å; I272-L274 HydrophobicContact CG1-CD2 3.95Å; I272-L274 HydrophobicContact CG1-CG 4.15Å; I272-R289 HydrophobicContact CD1-CB 4.09Å; I272-R289 WeakPolarHBondContact CD1-O 3.44Å; I272-E293 HydrophobicContact CB-CG 4.22Å; I272-E293 HydrophobicContact CD1-CG 3.57Å; I272-E293 HydrophobicContact CG1-CG 4.44Å; I272-E293 HydrophobicContact CG2-CG 4.42Å
273	R	94.8	Very high	88.8	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119	171.1	-170.4	82.8	177.5	83.3	5.8	110	N165 R167 D169 Q206 E209 Y271 R289	N165-R273 WeakPolarHBondContact ND2-CD 3.44Å; N165-R273 PolarHBondContact ND2-NE 3.37Å; N165-R273 PolarHBondContact O-NH1 2.96Å; N165-R273 PolarHBondContact OD1-NH1 2.79Å; R167-R273 VanDerWaalsContact N-NH1 3.11Å; R167-R273 PolarHBondContact O-NH1 3.27Å; R167-R273 PolarHBondContact O-NH2 3.44Å; D169-R273 PolarHBondContact O-NH2 3.2Å; D169-R273 VanDerWaalsContact O-NH2 3.1Å; Q206-R273 HydrophobicContact CG-CB 4.06Å; Q206-R273 HydrophobicContact CG-CG 4.01Å; E209-R273 IonicContact OE1-NE 4Å; E209-R273 IonicContact OE1-NH2 3.85Å; Y271-R273 WeakPolarHBondContact OH-CD 3.25Å; R273-R289 PolarHBondContact O-NH2 3.32Å
274	L	95.4	Very high	89	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.			trans	-119.8	150.4	174.8	-60.6	178.1	0	0	0	110.8	I164 N165 V166 I272 F276 E286 R289 F290	I164-L274 HydrophobicContact CG2-CD1 3.67Å; I164-L274 HydrophobicContact CG2-CG 4.19Å; N165-L274 PolarHBondContact O-N 3.39Å; N165-L274 VanDerWaalsContact O-O 3.06Å; V166-L274 CarbonylContact C-O 3.5Å; V166-L274 VanDerWaalsContact CA-O 3.27Å; V166-L274 WeakPolarHBondContact CA-O 3.42Å; I272-L274 HydrophobicContact CD1-CD2 3.74Å; I272-L274 HydrophobicContact CD1-CG 4.3Å; I272-L274 HydrophobicContact CG1-CD2 3.95Å; I272-L274 HydrophobicContact CG1-CG 4.15Å; L274-F276 HydrophobicContact CB-CD1 4.01Å; L274-F276 HydrophobicContact CB-CE1 3.77Å; L274-F276 HydrophobicContact CD1-CE1 3.8Å; L274-F276 HydrophobicContact CD1-CZ 3.99Å; L274-F276 HydrophobicContact CG-CE1 4.39Å; L274-E286 VanDerWaalsContact CA-OE2 3.22Å; L274-E286 WeakPolarHBondContact CA-OE2 3.49Å; L274-R289 HydrophobicContact CD2-CB 4.08Å; L274-F290 HydrophobicContact CD1-CB 3.93Å; L274-F290 HydrophobicContact CD1-CD2 4.29Å; L274-F290 HydrophobicContact CD1-CG 4.49Å
275	N	94.5	Very high	89.2	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.027	19%	0.189	C	C	.	.			trans	-100.5	94.4	176.1	-179	8.8	0	0	0	110.9	S168 N197 Q200 L205 E286	S168-N275 VanDerWaalsContact CA-OD1 3.24Å; S168-N275 WeakPolarHBondContact CA-OD1 3.28Å; S168-N275 WeakPolarHBondContact CB-OD1 3.41Å; N197-N275 PolarHBondContact O-ND2 3.33Å; Q200-N275 PolarHBondContact O-ND2 2.88Å; L205-N275 HydrophobicContact CD1-CB 3.86Å; N275-E286 PolarHBondContact N-OE2 3.26Å
276	F	94.5	Very high	89.9	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.013	15%	0.153	C	C	.	.			trans	-104.5	94.6	173.7	-68.9	14.3	0	0	0	109.5	V166 L274 P282 S346 L349 M353	V166-F276 HydrophobicContact CB-CB 3.9Å; V166-F276 HydrophobicContact CB-CD1 4.31Å; V166-F276 HydrophobicContact CB-CD2 3.74Å; V166-F276 HydrophobicContact CB-CE2 4.36Å; V166-F276 HydrophobicContact CB-CG 3.72Å; V166-F276 HydrophobicContact CG1-CD1 4.4Å; V166-F276 HydrophobicContact CG1-CD2 3.72Å; V166-F276 HydrophobicContact CG1-CE1 4.49Å; V166-F276 HydrophobicContact CG1-CE2 3.82Å; V166-F276 HydrophobicContact CG1-CG 4.04Å; V166-F276 HydrophobicContact CG1-CZ 4.21Å; V166-F276 HydrophobicContact CG2-CB 4.46Å; V166-F276 HydrophobicContact CG2-CD2 4.31Å; V166-F276 WeakPolarHBondContact O-CB 3.48Å; V166-F276 PolarHBondContact O-N 3.48Å; L274-F276 HydrophobicContact CB-CD1 4.01Å; L274-F276 HydrophobicContact CB-CE1 3.77Å; L274-F276 HydrophobicContact CD1-CE1 3.8Å; L274-F276 HydrophobicContact CD1-CZ 3.99Å; L274-F276 HydrophobicContact CG-CE1 4.39Å; F276-P282 HydrophobicContact CD1-CB 3.57Å; F276-P282 HydrophobicContact CD1-CG 3.93Å; F276-P282 HydrophobicContact CE1-CB 3.6Å; F276-P282 HydrophobicContact CE1-CG 3.63Å; F276-P282 HydrophobicContact CE2-CG 4.46Å; F276-P282 HydrophobicContact CG-CB 4.35Å; F276-P282 HydrophobicContact CG-CG 4.47Å; F276-P282 HydrophobicContact CZ-CB 4.39Å; F276-P282 HydrophobicContact CZ-CG 3.93Å; F276-S346 WeakPolarHBondContact O-CB 3.19Å; F276-S346 PolarHBondContact O-OG 3.18Å; F276-L349 HydrophobicContact CD2-CB 4.41Å; F276-L349 HydrophobicContact CD2-CD2 4.19Å; F276-L349 HydrophobicContact CD2-CG 4.25Å; F276-L349 HydrophobicContact CE2-CG 4.26Å; F276-M353 HydrophobicContact CE2-SD 4.04Å; F276-M353 HydrophobicContact CZ-SD 3.89Å
277	V	90.8	Very high	90.6	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.048	14%	0.143	C	C	.	.			trans	-59	132.2	175.6	-173.1	0	0	0	0	110.2	E196 Q198 K280 R510	E196-V277 HydrophobicContact CB-CG1 4.39Å; E196-V277 HydrophobicContact CG-CG1 4.49Å; Q198-V277 HydrophobicContact CB-CG2 4.13Å; Q198-V277 HydrophobicContact CG-CG2 4.3Å; V277-K280 HydrophobicContact CB-CB 4.45Å; V277-K280 HydrophobicContact CG1-CD 4.35Å; V277-K280 PolarHBondContact O-N 2.9Å; V277-R510 PolarHBondContact O-NH2 3.14Å
278	P	87.4	Confident	91.4	Very high	24 Å²	24	19.7 Å²	19.7	16%	0.156	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	151.2	170.5	-27.2	35.5	0	0	0	110.9	S168 K280 D344	S168-P278 VanDerWaalsContact OG-CD 3.32Å; S168-P278 WeakPolarHBondContact OG-CD 3.44Å; P278-K280 PolarHBondContact O-N 2.83Å; P278-D344 HydrophobicContact CB-CB 4.06Å; P278-D344 HydrophobicContact CG-CB 4.09Å
279	G	85.8	Confident	92.2	Very high	13 Å²	13	19.6 Å²	19.6	13%	0.134	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-40.5	-178.4	0	0	0	0	0	115.6	D506 R507 R510	G279-D506 WeakPolarHBondContact O-CB 3.43Å; G279-R507 PolarHBondContact O-NH1 2.89Å; G279-R510 WeakPolarHBondContact O-CD 3.41Å; G279-R510 PolarHBondContact O-NE 3.38Å
280	K	90.5	Very high	92.6	Very high	52 Å²	52	19 Å²	19	23%	0.226	9%	0.09	C	C	.	.	S	Bend	trans	-117.7	159.5	-162.5	-59.8	-179.9	175.4	-179.2	0	117	Q198 V277 P278 D506 R510	Q198-K280 VanDerWaalsContact OE1-CD 3.29Å; V277-K280 HydrophobicContact CB-CB 4.45Å; V277-K280 HydrophobicContact CG1-CD 4.35Å; V277-K280 PolarHBondContact O-N 2.9Å; P278-K280 PolarHBondContact O-N 2.83Å; K280-D506 VanDerWaalsContact CE-OD2 3.29Å; K280-D506 WeakPolarHBondContact CE-OD2 3.28Å; K280-D506 HydrophobicContact CG-CB 4.12Å; K280-R510 VanDerWaalsContact CA-NE 3.29Å; K280-R510 VanDerWaalsContact N-CZ 3.28Å; K280-R510 PolarHBondContact O-NE 3.32Å; K280-R510 PolarHBondContact O-NH2 3.06Å
281	F	93.9	Very high	92.8	Very high	2 Å²	2	16 Å²	16	1%	0.009	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-82	139.8	171.9	-169.3	-91.2	0	0	0	109.7	V287 L349 M353 R510 L513 L514 R1071	F281-V287 HydrophobicContact CE1-CG2 3.75Å; F281-V287 HydrophobicContact CZ-CG2 4.11Å; F281-L349 HydrophobicContact CD2-CD1 4Å; F281-L349 HydrophobicContact CD2-CD2 4.24Å; F281-L349 HydrophobicContact CE2-CD1 4.16Å; F281-M353 HydrophobicContact CE2-SD 4.48Å; F281-R510 HydrophobicContact CB-CB 4.48Å; F281-R510 HydrophobicContact CB-CG 3.88Å; F281-L513 HydrophobicContact CB-CB 4.45Å; F281-L513 HydrophobicContact CB-CD1 3.9Å; F281-L513 HydrophobicContact CD1-CB 3.65Å; F281-L513 HydrophobicContact CD1-CD1 3.45Å; F281-L513 VanDerWaalsContact CD1-CD1 3.45Å; F281-L513 HydrophobicContact CD1-CG 4.18Å; F281-L513 HydrophobicContact CD2-CB 3.88Å; F281-L513 HydrophobicContact CE1-CB 3.76Å; F281-L513 HydrophobicContact CE1-CD1 4.18Å; F281-L513 HydrophobicContact CE2-CB 3.98Å; F281-L513 HydrophobicContact CG-CB 3.72Å; F281-L513 HydrophobicContact CG-CD1 3.8Å; F281-L513 HydrophobicContact CG-CG 4.42Å; F281-L513 HydrophobicContact CZ-CB 3.93Å; F281-L514 HydrophobicContact CD2-CG 4.42Å; F281-L514 HydrophobicContact CE2-CD2 4.05Å; F281-L514 HydrophobicContact CE2-CG 4.05Å; F281-R1071 PolarHBondContact O-NH2 2.97Å
282	P	93.7	Very high	92.7	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.026	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-58.5	163.1	-178	26.3	-37.6	0	0	0	112.8	F276 E286 V287 L349 M353 R1071	F276-P282 HydrophobicContact CD1-CB 3.57Å; F276-P282 HydrophobicContact CD1-CG 3.93Å; F276-P282 HydrophobicContact CE1-CB 3.6Å; F276-P282 HydrophobicContact CE1-CG 3.63Å; F276-P282 HydrophobicContact CE2-CG 4.46Å; F276-P282 HydrophobicContact CG-CB 4.35Å; F276-P282 HydrophobicContact CG-CG 4.47Å; F276-P282 HydrophobicContact CZ-CB 4.39Å; F276-P282 HydrophobicContact CZ-CG 3.93Å; P282-E286 HydrophobicContact CB-CB 3.96Å; P282-V287 HydrophobicContact CG-CG2 4.02Å; P282-L349 VanDerWaalsContact CD-CD2 3.47Å; P282-M353 HydrophobicContact CG-SD 4.47Å; P282-R1071 PolarHBondContact O-NH1 3.5Å
283	L	90.8	Very high	92.5	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.042	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-63.1	152.5	171.9	-64.2	179	0	0	0	110.7	Q198 E285 E286 V287 R1069	Q198-L283 HydrophobicContact CG-CD2 4.41Å; Q198-L283 WeakPolarHBondContact O-CD1 3.14Å; Q198-L283 VanDerWaalsContact O-CG 3.24Å; Q198-L283 WeakPolarHBondContact O-CG 3.5Å; L283-E285 PolarHBondContact O-N 2.92Å; L283-E286 HydrophobicContact CB-CG 4.22Å; L283-E286 WeakPolarHBondContact O-CA 3.29Å; L283-E286 WeakPolarHBondContact O-CB 3.26Å; L283-E286 PolarHBondContact O-N 2.86Å; L283-V287 PolarHBondContact O-N 2.98Å; L283-V287 VanDerWaalsContact O-N 3.09Å; L283-R1069 VanDerWaalsContact CD1-NH1 3.27Å
284	E	91.8	Very high	92.1	Very high	16 Å²	16	18.5 Å²	18.5	8%	0.075	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-33.4	178	-63.9	161.1	-154.9	0	0	111.6	E286 V287 D288 F533 S534 Y544	E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 3.48Å; E284-V287 CarbonylContact O-C 3.55Å; E284-V287 WeakPolarHBondContact O-CB 3.48Å; E284-V287 PolarHBondContact O-N 3.14Å; E284-V287 VanDerWaalsContact O-N 3.12Å; E284-D288 PolarHBondContact O-N 3.42Å; E284-F533 HydrophobicContact CB-CD1 4.13Å; E284-F533 HydrophobicContact CB-CE1 4.4Å; E284-F533 HydrophobicContact CG-CD1 4.11Å; E284-F533 HydrophobicContact CG-CE1 3.89Å; E284-S534 VanDerWaalsContact C-OG 3.28Å; E284-S534 WeakPolarHBondContact CB-OG 3.26Å; E284-S534 PolarHBondContact O-OG 2.68Å; E284-Y544 VanDerWaalsContact OE1-CE1 3.24Å; E284-Y544 WeakPolarHBondContact OE1-CE1 3.46Å; E284-Y544 PolarHBondContact OE1-OH 3.24Å; E284-Y544 PolarHBondContact OE2-OH 3.33Å
285	E	90.6	Very high	91.6	Very high	91 Å²	91	22.3 Å²	22.3	43%	0.425	11%	0.107	S	C	.	.	H	α-helix	trans	-57.5	-38.8	171.6	-62.7	157.3	154.7	0	0	111.6	L283 D288 R289 R1069	L283-E285 PolarHBondContact O-N 2.92Å; E285-D288 PolarHBondContact O-N 3.09Å; E285-R289 WeakPolarHBondContact O-CG 3.27Å; E285-R289 PolarHBondContact O-N 3.02Å; E285-R289 VanDerWaalsContact O-N 3.17Å; E285-R1069 IonicContact OE1-NH1 3.76Å; E285-R1069 IonicContact OE1-NH2 3.6Å; E285-R1069 IonicContact OE2-CZ 4Å; E285-R1069 IonicContact OE2-NH1 2.7Å; E285-R1069 PolarHBondContact OE2-NH1 3.44Å; E285-R1069 IonicContact OE2-NH2 3.77Å; E285-R1069 PolarHBondContact OE2-NH2 3.13Å
286	E	94.4	Very high	91.1	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-73.2	-36.1	176.3	-65.9	-65.4	114.2	0	0	111.9	S201 G202 L274 N275 P282 L283 E284 D288 R289 F290	S201-E286 WeakPolarHBondContact CA-OE1 3.22Å; S201-E286 WeakPolarHBondContact CB-OE1 3.4Å; G202-E286 PolarHBondContact N-OE1 3.19Å; L274-E286 VanDerWaalsContact CA-OE2 3.22Å; L274-E286 WeakPolarHBondContact CA-OE2 3.49Å; N275-E286 PolarHBondContact N-OE2 3.26Å; P282-E286 HydrophobicContact CB-CB 3.96Å; L283-E286 HydrophobicContact CB-CG 4.22Å; L283-E286 WeakPolarHBondContact O-CA 3.29Å; L283-E286 WeakPolarHBondContact O-CB 3.26Å; L283-E286 PolarHBondContact O-N 2.86Å; E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 3.48Å; E286-D288 VanDerWaalsContact C-N 3.34Å; E286-R289 PolarHBondContact O-N 2.94Å; E286-R289 IonicContact OE1-CZ 3.57Å; E286-R289 IonicContact OE1-NE 3.56Å; E286-R289 PolarHBondContact OE1-NE 2.88Å; E286-R289 IonicContact OE1-NH1 3.43Å; E286-R289 IonicContact OE1-NH2 2.76Å; E286-R289 PolarHBondContact OE1-NH2 2.79Å; E286-R289 IonicContact OE2-CZ 3.53Å; E286-R289 IonicContact OE2-NE 2.8Å; E286-R289 IonicContact OE2-NH2 3.37Å; E286-R289 PolarHBondContact OE2-NH2 2.92Å; E286-F290 PolarHBondContact O-N 2.85Å
287	V	95.3	Very high	90.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-41.6	173.1	-178.8	0	0	0	0	110.2	F281 P282 L283 E284 R289 F290 I291 M353 F517 F533	F281-V287 HydrophobicContact CE1-CG2 3.75Å; F281-V287 HydrophobicContact CZ-CG2 4.11Å; P282-V287 HydrophobicContact CG-CG2 4.02Å; L283-V287 PolarHBondContact O-N 2.98Å; L283-V287 VanDerWaalsContact O-N 3.09Å; E284-V287 CarbonylContact O-C 3.55Å; E284-V287 WeakPolarHBondContact O-CB 3.48Å; E284-V287 PolarHBondContact O-N 3.14Å; E284-V287 VanDerWaalsContact O-N 3.12Å; V287-R289 VanDerWaalsContact C-N 3.33Å; V287-R289 PolarHBondContact O-N 2.87Å; V287-F290 WeakPolarHBondContact O-CB 3.38Å; V287-F290 PolarHBondContact O-N 3.14Å; V287-F290 VanDerWaalsContact O-N 3.17Å; V287-I291 HydrophobicContact CG1-CG1 4.29Å; V287-I291 WeakPolarHBondContact O-CG1 3.29Å; V287-I291 PolarHBondContact O-N 3.21Å; V287-M353 HydrophobicContact CG1-CE 4.14Å; V287-M353 HydrophobicContact CG2-CE 4.16Å; V287-F517 HydrophobicContact CG1-CD2 3.72Å; V287-F517 HydrophobicContact CG1-CE2 3.74Å; V287-F533 HydrophobicContact CB-CD1 3.75Å; V287-F533 HydrophobicContact CB-CE1 4.32Å; V287-F533 HydrophobicContact CB-CG 4.32Å; V287-F533 HydrophobicContact CG1-CB 3.9Å; V287-F533 HydrophobicContact CG1-CD1 3.59Å; V287-F533 HydrophobicContact CG1-CD2 4.42Å; V287-F533 HydrophobicContact CG1-CE1 4.18Å; V287-F533 HydrophobicContact CG1-CG 3.71Å; V287-F533 HydrophobicContact CG2-CD1 4.23Å; V287-F533 HydrophobicContact CG2-CE1 4.3Å
288	D	95.1	Very high	89.8	Confident	14 Å²	14	26.7 Å²	26.7	8%	0.075	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-44.4	175.5	-74	-18.4	0	0	0	111.4	E284 E285 E286 F290 I291 D292 N532 F533 S534	E284-D288 PolarHBondContact O-N 3.42Å; E285-D288 PolarHBondContact O-N 3.09Å; E286-D288 VanDerWaalsContact C-N 3.34Å; D288-F290 VanDerWaalsContact C-N 3.32Å; D288-F290 PolarHBondContact O-N 3.09Å; D288-I291 CarbonylContact O-C 3.42Å; D288-I291 PolarHBondContact O-N 2.98Å; D288-I291 VanDerWaalsContact O-N 3.14Å; D288-D292 WeakPolarHBondContact O-CB 3.49Å; D288-D292 PolarHBondContact O-N 3.37Å; D288-N532 HydrophobicContact CB-CB 4.44Å; D288-N532 WeakPolarHBondContact OD1-CB 3.4Å; D288-N532 PolarHBondContact OD2-ND2 2.74Å; D288-F533 WeakPolarHBondContact OD1-CA 3.25Å; D288-F533 VanDerWaalsContact OD1-CB 3.28Å; D288-F533 WeakPolarHBondContact OD1-CB 3.45Å; D288-F533 PolarHBondContact OD1-N 3.35Å; D288-S534 VanDerWaalsContact CG-OG 3.29Å; D288-S534 PolarHBondContact OD1-N 3.32Å; D288-S534 WeakPolarHBondContact OD2-CB 2.84Å; D288-S534 PolarHBondContact OD2-OG 3.3Å
289	R	94.8	Very high	89.2	Confident	42 Å²	42	28.5 Å²	28.5	16%	0.158	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-38.3	176.2	-65.1	-169.2	-53.4	151.4	22.2	112.3	I203 I272 R273 L274 E285 E286 V287 D292 E293	I203-R289 VanDerWaalsContact N-NH1 3.11Å; I272-R289 HydrophobicContact CD1-CB 4.09Å; I272-R289 WeakPolarHBondContact CD1-O 3.44Å; R273-R289 PolarHBondContact O-NH2 3.32Å; L274-R289 HydrophobicContact CD2-CB 4.08Å; E285-R289 WeakPolarHBondContact O-CG 3.27Å; E285-R289 PolarHBondContact O-N 3.02Å; E285-R289 VanDerWaalsContact O-N 3.17Å; E286-R289 PolarHBondContact O-N 2.94Å; E286-R289 IonicContact OE1-CZ 3.57Å; E286-R289 IonicContact OE1-NE 3.56Å; E286-R289 PolarHBondContact OE1-NE 2.88Å; E286-R289 IonicContact OE1-NH1 3.43Å; E286-R289 IonicContact OE1-NH2 2.76Å; E286-R289 PolarHBondContact OE1-NH2 2.79Å; E286-R289 IonicContact OE2-CZ 3.53Å; E286-R289 IonicContact OE2-NE 2.8Å; E286-R289 IonicContact OE2-NH2 3.37Å; E286-R289 PolarHBondContact OE2-NH2 2.92Å; V287-R289 VanDerWaalsContact C-N 3.33Å; V287-R289 PolarHBondContact O-N 2.87Å; R289-D292 PolarHBondContact O-N 3.47Å; R289-E293 PolarHBondContact O-N 3.1Å
290	F	94.8	Very high	88.5	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-44.7	171.3	174.9	-109.6	0	0	0	112.1	L162 I164 L274 E286 V287 D288 E293 L294 F335 M353 F517	L162-F290 HydrophobicContact CD2-CE2 4.32Å; I164-F290 HydrophobicContact CD1-CD2 3.95Å; I164-F290 HydrophobicContact CD1-CE2 3.51Å; L274-F290 HydrophobicContact CD1-CB 3.93Å; L274-F290 HydrophobicContact CD1-CD2 4.29Å; L274-F290 HydrophobicContact CD1-CG 4.49Å; E286-F290 PolarHBondContact O-N 2.85Å; V287-F290 WeakPolarHBondContact O-CB 3.38Å; V287-F290 PolarHBondContact O-N 3.14Å; V287-F290 VanDerWaalsContact O-N 3.17Å; D288-F290 VanDerWaalsContact C-N 3.32Å; D288-F290 PolarHBondContact O-N 3.09Å; F290-E293 PolarHBondContact O-N 3.4Å; F290-L294 HydrophobicContact CD1-CD1 3.9Å; F290-L294 HydrophobicContact CD1-CG 4.49Å; F290-L294 HydrophobicContact CE1-CD1 3.41Å; F290-L294 VanDerWaalsContact CE1-CD1 3.41Å; F290-L294 HydrophobicContact CE1-CG 4.16Å; F290-L294 HydrophobicContact CE2-CD1 4.48Å; F290-L294 HydrophobicContact CE2-CG 4.41Å; F290-L294 HydrophobicContact CZ-CD1 3.75Å; F290-L294 HydrophobicContact CZ-CD2 4.25Å; F290-L294 HydrophobicContact CZ-CG 4.11Å; F290-L294 WeakPolarHBondContact O-CG 3.47Å; F290-L294 PolarHBondContact O-N 3.49Å; F290-F335 HydrophobicContact CE2-CD1 4.3Å; F290-F335 AromaticContact CE2-CE1 3.84Å; F290-F335 HydrophobicContact CE2-CE1 3.84Å; F290-F335 AromaticContact CZ-CE1 3.88Å; F290-F335 HydrophobicContact CZ-CE1 3.88Å; F290-M353 HydrophobicContact CD1-CE 3.8Å; F290-M353 HydrophobicContact CE1-CB 4.22Å; F290-M353 HydrophobicContact CE1-CE 4.11Å; F290-M353 HydrophobicContact CZ-CB 4.43Å; F290-F517 HydrophobicContact CD1-CE2 4.48Å; F290-F517 HydrophobicContact CD1-CZ 4.19Å; F290-F517 AromaticContact CE1-CZ 3.83Å; F290-F517 HydrophobicContact CE1-CZ 3.83Å
291	I	92.7	Very high	87.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-37.5	176.9	-68.2	-55.8	0	0	0	111.8	V287 D288 E293 L294 R295 F517 Y520 L521 F529	V287-I291 HydrophobicContact CG1-CG1 4.29Å; V287-I291 WeakPolarHBondContact O-CG1 3.29Å; V287-I291 PolarHBondContact O-N 3.21Å; D288-I291 CarbonylContact O-C 3.42Å; D288-I291 PolarHBondContact O-N 2.98Å; D288-I291 VanDerWaalsContact O-N 3.14Å; I291-E293 VanDerWaalsContact C-N 3.31Å; I291-E293 PolarHBondContact O-N 3.19Å; I291-L294 HydrophobicContact CD1-CD1 3.81Å; I291-L294 CarbonylContact O-C 3.42Å; I291-L294 WeakPolarHBondContact O-CA 3.41Å; I291-L294 WeakPolarHBondContact O-CB 3.4Å; I291-L294 PolarHBondContact O-N 3Å; I291-L294 VanDerWaalsContact O-N 3.13Å; I291-R295 WeakPolarHBondContact O-CB 3.22Å; I291-R295 PolarHBondContact O-N 2.83Å; I291-F517 HydrophobicContact CD1-CE2 3.6Å; I291-F517 HydrophobicContact CD1-CZ 4.01Å; I291-F517 HydrophobicContact CG1-CE2 4.26Å; I291-Y520 HydrophobicContact CD1-CD1 4.41Å; I291-Y520 HydrophobicContact CD1-CE1 3.78Å; I291-Y520 HydrophobicContact CG1-CE1 3.83Å; I291-Y520 HydrophobicContact CG2-CE1 4.26Å; I291-L521 HydrophobicContact CD1-CD2 4.06Å; I291-F529 HydrophobicContact CD1-CE1 3.95Å; I291-F529 HydrophobicContact CD1-CZ 4.36Å; I291-F529 HydrophobicContact CG2-CB 3.92Å; I291-F529 HydrophobicContact CG2-CD1 3.48Å; I291-F529 VanDerWaalsContact CG2-CD1 3.48Å; I291-F529 HydrophobicContact CG2-CD2 4.17Å; I291-F529 HydrophobicContact CG2-CE1 3.9Å; I291-F529 HydrophobicContact CG2-CG 3.6Å; I291-F529 HydrophobicContact CG2-CZ 4.38Å
292	D	91.4	Very high	86.2	Confident	51 Å²	51	30.6 Å²	30.6	27%	0.273	15%	0.152	S	C	.	.	H	α-helix	trans	-60.7	-43	177.9	-72.8	-22	0	0	0	110.8	D288 R289 R295 H296	D288-D292 WeakPolarHBondContact O-CB 3.49Å; D288-D292 PolarHBondContact O-N 3.37Å; R289-D292 PolarHBondContact O-N 3.47Å; D292-R295 WeakPolarHBondContact O-CB 3.37Å; D292-R295 PolarHBondContact O-N 3.49Å; D292-R295 IonicContact OD1-CZ 3.62Å; D292-R295 IonicContact OD1-NH1 3.43Å; D292-R295 PolarHBondContact OD1-NH1 3.03Å; D292-R295 IonicContact OD1-NH2 2.89Å; D292-R295 PolarHBondContact OD1-NH2 2.67Å; D292-R295 IonicContact OD2-NH2 3.97Å; D292-H296 PolarHBondContact O-CD2 3.19Å; D292-H296 PolarHBondContact O-N 2.87Å
293	E	89.1	Confident	84.6	Confident	39 Å²	39	31.3 Å²	31.3	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-45.8	170.9	-73	-58.3	134.1	0	0	111.8	L162 R270 I272 R289 F290 I291 R295 H296 I297	L162-E293 HydrophobicContact CD1-CB 4.1Å; L162-E293 HydrophobicContact CD1-CG 4.3Å; L162-E293 HydrophobicContact CD2-CB 4.11Å; R270-E293 IonicContact CZ-OE2 2.65Å; R270-E293 IonicContact NE-OE2 3.81Å; R270-E293 PolarHBondContact NE-OE2 3.36Å; R270-E293 PolarHBondContact NH2-O 2.91Å; R270-E293 IonicContact NH2-OE2 2.76Å; R270-E293 PolarHBondContact NH2-OE2 3.06Å; I272-E293 HydrophobicContact CB-CG 4.22Å; I272-E293 HydrophobicContact CD1-CG 3.57Å; I272-E293 HydrophobicContact CG1-CG 4.44Å; I272-E293 HydrophobicContact CG2-CG 4.42Å; R289-E293 PolarHBondContact O-N 3.1Å; F290-E293 PolarHBondContact O-N 3.4Å; I291-E293 VanDerWaalsContact C-N 3.31Å; I291-E293 PolarHBondContact O-N 3.19Å; E293-R295 VanDerWaalsContact C-N 3.27Å; E293-R295 PolarHBondContact O-N 2.84Å; E293-H296 PolarHBondContact O-N 2.78Å; E293-H296 VanDerWaalsContact O-N 3.14Å; E293-I297 PolarHBondContact O-N 3.46Å
294	L	86.6	Confident	83.1	Confident	11 Å²	11	39 Å²	39	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-41.6	174.6	-71.1	179	0	0	0	112.2	F290 I291 H296 I297 C298 F335 A357 F529	F290-L294 HydrophobicContact CD1-CD1 3.9Å; F290-L294 HydrophobicContact CD1-CG 4.49Å; F290-L294 HydrophobicContact CE1-CD1 3.41Å; F290-L294 VanDerWaalsContact CE1-CD1 3.41Å; F290-L294 HydrophobicContact CE1-CG 4.16Å; F290-L294 HydrophobicContact CE2-CD1 4.48Å; F290-L294 HydrophobicContact CE2-CG 4.41Å; F290-L294 HydrophobicContact CZ-CD1 3.75Å; F290-L294 HydrophobicContact CZ-CD2 4.25Å; F290-L294 HydrophobicContact CZ-CG 4.11Å; F290-L294 WeakPolarHBondContact O-CG 3.47Å; F290-L294 PolarHBondContact O-N 3.49Å; I291-L294 HydrophobicContact CD1-CD1 3.81Å; I291-L294 CarbonylContact O-C 3.42Å; I291-L294 WeakPolarHBondContact O-CA 3.41Å; I291-L294 WeakPolarHBondContact O-CB 3.4Å; I291-L294 PolarHBondContact O-N 3Å; I291-L294 VanDerWaalsContact O-N 3.13Å; L294-H296 VanDerWaalsContact C-N 3.34Å; L294-H296 PolarHBondContact O-N 2.99Å; L294-I297 PolarHBondContact O-N 2.87Å; L294-C298 WeakPolarHBondContact O-CB 3.44Å; L294-C298 PolarHBondContact O-N 3.42Å; L294-C298 PolarHBondContact O-SG 3.31Å; L294-F335 HydrophobicContact CD2-CE1 3.67Å; L294-F335 HydrophobicContact CD2-CZ 3.4Å; L294-A357 HydrophobicContact CD1-CB 3.7Å; L294-A357 HydrophobicContact CD2-CB 4.18Å; L294-F529 HydrophobicContact CB-CE2 4.23Å; L294-F529 HydrophobicContact CB-CZ 4.37Å
295	R	86.1	Confident	81.2	Confident	79 Å²	79	46.8 Å²	46.8	30%	0.298	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-43.7	177.1	-177.2	179	59.3	-123.2	-8.1	111	I291 D292 E293 C298 S299 F529	I291-R295 WeakPolarHBondContact O-CB 3.22Å; I291-R295 PolarHBondContact O-N 2.83Å; D292-R295 WeakPolarHBondContact O-CB 3.37Å; D292-R295 PolarHBondContact O-N 3.49Å; D292-R295 IonicContact OD1-CZ 3.62Å; D292-R295 IonicContact OD1-NH1 3.43Å; D292-R295 PolarHBondContact OD1-NH1 3.03Å; D292-R295 IonicContact OD1-NH2 2.89Å; D292-R295 PolarHBondContact OD1-NH2 2.67Å; D292-R295 IonicContact OD2-NH2 3.97Å; E293-R295 VanDerWaalsContact C-N 3.27Å; E293-R295 PolarHBondContact O-N 2.84Å; R295-C298 WeakPolarHBondContact O-CB 3.35Å; R295-C298 PolarHBondContact O-N 3.15Å; R295-S299 PolarHBondContact O-N 2.86Å; R295-S299 PolarHBondContact O-OG 2.84Å; R295-F529 HydrophobicContact CB-CD2 3.81Å; R295-F529 HydrophobicContact CG-CD2 4.27Å
296	H	83.4	Confident	79.1	Confident	88 Å²	88	47.6 Å²	47.6	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-64.2	-39.5	175	-70	-61.2	0	0	0	112.4	R270 D292 E293 L294 C298 S299 D300	R270-H296 VanDerWaalsContact CZ-CB 3.48Å; D292-H296 PolarHBondContact O-CD2 3.19Å; D292-H296 PolarHBondContact O-N 2.87Å; E293-H296 PolarHBondContact O-N 2.78Å; E293-H296 VanDerWaalsContact O-N 3.14Å; L294-H296 VanDerWaalsContact C-N 3.34Å; L294-H296 PolarHBondContact O-N 2.99Å; H296-C298 VanDerWaalsContact C-N 3.33Å; H296-S299 WeakPolarHBondContact CA-OG 3.32Å; H296-S299 PolarHBondContact O-OG 3.07Å; H296-D300 PolarHBondContact O-N 3.48Å
297	I	80	Confident	76.3	Confident	11 Å²	11	52.1 Å²	52.1	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-40.1	174.3	-75.5	146.4	0	0	0	111	L162 R270 E293 L294 D300 S301 P333	L162-I297 HydrophobicContact CB-CD1 3.89Å; L162-I297 HydrophobicContact CD1-CD1 4.32Å; L162-I297 HydrophobicContact CD2-CD1 3.88Å; L162-I297 HydrophobicContact CG-CD1 4.24Å; R270-I297 VanDerWaalsContact NH2-CG1 3.32Å; E293-I297 PolarHBondContact O-N 3.46Å; L294-I297 PolarHBondContact O-N 2.87Å; I297-D300 PolarHBondContact O-N 2.79Å; I297-S301 VanDerWaalsContact O-CB 3.31Å; I297-S301 WeakPolarHBondContact O-CB 3.48Å; I297-S301 PolarHBondContact O-N 2.92Å; I297-S301 PolarHBondContact O-OG 3.26Å; I297-P333 HydrophobicContact CG2-CB 3.76Å; I297-P333 HydrophobicContact CG2-CG 3.63Å
298	C	76.7	Confident	73.7	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-43.2	178	-71	0	0	0	0	111.7	L294 R295 H296 D300 S301 L302 M525	L294-C298 WeakPolarHBondContact O-CB 3.44Å; L294-C298 PolarHBondContact O-N 3.42Å; L294-C298 PolarHBondContact O-SG 3.31Å; R295-C298 WeakPolarHBondContact O-CB 3.35Å; R295-C298 PolarHBondContact O-N 3.15Å; H296-C298 VanDerWaalsContact C-N 3.33Å; C298-D300 PolarHBondContact O-N 2.8Å; C298-S301 PolarHBondContact O-N 2.76Å; C298-S301 VanDerWaalsContact O-N 3.17Å; C298-L302 HydrophobicContact CB-CD1 3.98Å; C298-L302 WeakPolarHBondContact O-CB 3.46Å; C298-L302 PolarHBondContact O-N 3.22Å; C298-M525 VanDerWaalsContact SG-CE 3.54Å
299	S	75.6	Confident	70.9	Confident	63 Å²	63	61.5 Å²	61.5	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-33.4	176.6	59.4	0	0	0	0	112.7	R295 H296 S301	R295-S299 PolarHBondContact O-N 2.86Å; R295-S299 PolarHBondContact O-OG 2.84Å; H296-S299 WeakPolarHBondContact CA-OG 3.32Å; H296-S299 PolarHBondContact O-OG 3.07Å; S299-S301 VanDerWaalsContact C-N 3.33Å
300	D	71.9	Confident	68	Low	89 Å²	89	62.5 Å²	62.5	48%	0.476	32%	0.322	S	S	.	.	H	α-helix	trans	-80	-16.1	179.1	-66.5	-11.4	0	0	0	113.2	K160 R270 H296 I297 C298	K160-D300 VanDerWaalsContact NZ-C 3.29Å; K160-D300 PolarHBondContact NZ-O 3.21Å; R270-D300 IonicContact NH1-OD2 3.88Å; H296-D300 PolarHBondContact O-N 3.48Å; I297-D300 PolarHBondContact O-N 2.79Å; C298-D300 PolarHBondContact O-N 2.8Å
301	S	67.6	Low	65.1	Low	5 Å²	5	71.2 Å²	71.2	4%	0.035	36%	0.36	C	S	.	.	H	α-helix	trans	-117	-24.1	-170.4	-47.4	0	0	0	0	113.8	K160 I297 C298 S299	K160-S301 PolarHBondContact NZ-OG 3.23Å; I297-S301 VanDerWaalsContact O-CB 3.31Å; I297-S301 WeakPolarHBondContact O-CB 3.48Å; I297-S301 PolarHBondContact O-N 2.92Å; I297-S301 PolarHBondContact O-OG 3.26Å; C298-S301 PolarHBondContact O-N 2.76Å; C298-S301 VanDerWaalsContact O-N 3.17Å; S299-S301 VanDerWaalsContact C-N 3.33Å
302	L	66.9	Low	62.3	Low	16 Å²	16	75.4 Å²	75.4	8%	0.084	39%	0.39	C	S	.	.	S	Bend	trans	-99.1	139.5	178.9	-72.1	158.8	0	0	0	111.8	C298 L361 I364 F365 I368	C298-L302 HydrophobicContact CB-CD1 3.98Å; C298-L302 WeakPolarHBondContact O-CB 3.46Å; C298-L302 PolarHBondContact O-N 3.22Å; L302-L361 HydrophobicContact CD1-CD1 4.33Å; L302-I364 HydrophobicContact CD2-CG2 3.9Å; L302-F365 HydrophobicContact CD2-CD1 3.92Å; L302-F365 HydrophobicContact CD2-CE1 3.6Å; L302-F365 HydrophobicContact CG-CE1 4.1Å; L302-I368 HydrophobicContact CD2-CD1 3.68Å
303	P	60.7	Low	59.5	Low	19 Å²	19	77.9 Å²	77.9	12%	0.123	40%	0.402	C	S	.	.			trans	-61.7	136.8	176.7	-20.5	30.8	0	0	0	112.9	Y305 R528	P303-Y305 VanDerWaalsContact C-N 3.28Å; P303-Y305 PolarHBondContact O-N 2.91Å; P303-Y305 VanDerWaalsContact O-N 3.15Å; P303-R528 PolarHBondContact O-NH2 3.19Å
304	K	59.4	Low	56.8	Low	171 Å²	171	83 Å²	83	74%	0.743	43%	0.429	S	S	*	.	S	Bend	trans	-58.9	-30.2	-174.4	-70.6	-176.9	-179.6	179	0	114.6	R528	K304-R528 PolarHBondContact O-NH1 2.91Å
305	Y	51.6	Low	54.3	Low	179 Å²	179	91.7 Å²	91.7	70%	0.702	47%	0.466	S	S	*	.			trans	-117.8	106.8	-176.9	-58.2	-78.3	0	0	0	112.4	P303	P303-Y305 VanDerWaalsContact C-N 3.28Å; P303-Y305 PolarHBondContact O-N 2.91Å; P303-Y305 VanDerWaalsContact O-N 3.15Å
306	L	46.1	Very low	51.6	Low	107 Å²	107	92.3 Å²	92.3	56%	0.56	48%	0.479	S	S	*	.			trans	-98.5	81.1	160.8	-90.5	93.5	0	0	0	108.6	I368	L306-I368 HydrophobicContact CD1-CD1 4.28Å; L306-I368 HydrophobicContact CD2-CD1 4.37Å; L306-I368 HydrophobicContact CD2-CG1 4.1Å
307	N	37.4	Very low	49.2	Very low	97 Å²	97	96.2 Å²	96.2	52%	0.519	50%	0.503	S	S	.	.			trans	-84	124.3	172.9	-85.1	-8.7	0	0	0	110.5	T309 N310	N307-T309 PolarHBondContact O-N 3.13Å; N307-N310 PolarHBondContact O-N 2.86Å
308	S	39.7	Very low	46.9	Very low	111 Å²	111	100.5 Å²	100.5	78%	0.776	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-59	-11.4	172.4	-176.5	0	0	0	0	113.7	N310	S308-N310 VanDerWaalsContact C-N 3.32Å
309	T	35.5	Very low	45.3	Very low	101 Å²	101	105.6 Å²	105.6	62%	0.62	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-79.5	-9.6	174.4	46.1	0	0	0	0	113.7	N307 K311 S312	N307-T309 PolarHBondContact O-N 3.13Å; T309-K311 PolarHBondContact O-N 2.94Å; T309-S312 PolarHBondContact O-N 3.3Å; T309-S312 PolarHBondContact O-OG 3.11Å; T309-S312 VanDerWaalsContact O-OG 3.12Å
310	N	34.4	Very low	43.3	Very low	63 Å²	63	111 Å²	111	34%	0.337	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-76.9	0.8	179.7	-73.9	0.2	0	0	0	114.5	N307 S308 S312 I313	N307-N310 PolarHBondContact O-N 2.86Å; S308-N310 VanDerWaalsContact C-N 3.32Å; N310-S312 PolarHBondContact O-N 3.44Å; N310-I313 PolarHBondContact O-N 3.44Å; N310-I313 WeakPolarHBondContact OD1-CD1 3.47Å
311	K	34.5	Very low	41.9	Very low	186 Å²	186	112 Å²	112	81%	0.809	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-59.8	-20.6	166.9	-79.7	-173.8	177.3	178.9	0	112.9	T309	T309-K311 PolarHBondContact O-N 2.94Å
312	S	33.2	Very low	40.7	Very low	89 Å²	89	118 Å²	118	62%	0.622	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-94	-14.8	177.1	59.2	0	0	0	0	114.9	T309 N310 I314	T309-S312 PolarHBondContact O-N 3.3Å; T309-S312 PolarHBondContact O-OG 3.11Å; T309-S312 VanDerWaalsContact O-OG 3.12Å; N310-S312 PolarHBondContact O-N 3.44Å; S312-I314 VanDerWaalsContact C-N 3.32Å
313	I	32.8	Very low	39.5	Very low	103 Å²	103	122.3 Å²	122.3	53%	0.528	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-81.8	-12.6	-179.5	-60.4	-179.7	0	0	0	112.1	N310 K315 T316	N310-I313 PolarHBondContact O-N 3.44Å; N310-I313 WeakPolarHBondContact OD1-CD1 3.47Å; I313-K315 PolarHBondContact O-N 2.93Å; I313-T316 PolarHBondContact O-N 3.22Å
314	I	32.4	Very low	38.4	Very low	147 Å²	147	124 Å²	124	75%	0.754	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-62.9	-5.3	172.8	-59.3	172.6	0	0	0	112.5	S312	S312-I314 VanDerWaalsContact C-N 3.32Å
315	K	34.5	Very low	37.7	Very low	192 Å²	192	119 Å²	119	84%	0.835	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-113.5	7.4	-179.7	-71.4	-169	177	-177.1	0	116.9	I313	I313-K315 PolarHBondContact O-N 2.93Å
316	T	30.2	Very low	37.5	Very low	92 Å²	92	112.6 Å²	112.6	56%	0.564	62%	0.616	S	S	*	*			trans	-129.3	99.5	173	56.4	0	0	0	0	111	I313 T318	I313-T316 PolarHBondContact O-N 3.22Å; T316-T318 VanDerWaalsContact C-N 3.33Å; T316-T318 PolarHBondContact O-N 2.99Å
317	N	31.9	Very low	37.4	Very low	170 Å²	170	110.7 Å²	110.7	91%	0.909	61%	0.606	S	S	*	*			trans	-57.3	91.7	166.2	-75.3	-14.2	0	0	0	109.9
318	T	31.6	Very low	37.7	Very low	102 Å²	102	113.6 Å²	113.6	63%	0.626	62%	0.616	S	S	*	*			trans	-133.2	121.6	161.1	46.3	0	0	0	0	108.8	T316 H320	T316-T318 VanDerWaalsContact C-N 3.33Å; T316-T318 PolarHBondContact O-N 2.99Å; T318-H320 PolarHBondContact O-N 3.43Å
319	P	44.3	Very low	38.2	Very low	115 Å²	115	116.9 Å²	116.9	75%	0.747	61%	0.611	S	S	*	*			trans	-84.5	75.6	-169.8	34.5	-34.3	0	0	0	111.5
320	H	33.3	Very low	39.1	Very low	176 Å²	176	113.1 Å²	113.1	82%	0.815	59%	0.587	S	S	*	*			trans	-96.4	101.6	157.5	-80.7	-72.5	0	0	0	108.3	T318 D322	T318-H320 PolarHBondContact O-N 3.43Å; H320-D322 VanDerWaalsContact C-N 3.29Å; H320-D322 PolarHBondContact O-N 3.34Å; H320-D322 VanDerWaalsContact O-N 3.07Å
321	D	41.6	Very low	40.5	Very low	110 Å²	110	112.7 Å²	112.7	59%	0.588	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	21.7	-163.3	-92.6	-40.3	0	0	0	118	S324 S325	D321-S324 PolarHBondContact O-OG 2.79Å; D321-S324 PolarHBondContact OD1-OG 2.67Å; D321-S325 PolarHBondContact O-OG 2.85Å
322	D	42.7	Very low	42.3	Very low	132 Å²	132	104.2 Å²	104.2	71%	0.706	55%	0.55	S	S	*	.	H	α-helix	trans	-80	-24.8	179.5	-75	-18.6	0	0	0	113	H320 S325 S326	H320-D322 VanDerWaalsContact C-N 3.29Å; H320-D322 PolarHBondContact O-N 3.34Å; H320-D322 VanDerWaalsContact O-N 3.07Å; D322-S325 PolarHBondContact O-OG 3.46Å; D322-S326 WeakPolarHBondContact O-CB 3.42Å; D322-S326 PolarHBondContact O-N 2.9Å; D322-S326 PolarHBondContact O-OG 3.47Å
323	F	40.8	Very low	44.5	Very low	107 Å²	107	100.1 Å²	100.1	47%	0.469	52%	0.521	S	S	.	.	H	α-helix	trans	-87.4	-37.3	-177.3	-148.1	-94.9	0	0	0	112.7	S326 I327	F323-S326 WeakPolarHBondContact O-CB 3.24Å; F323-S326 PolarHBondContact O-N 2.92Å; F323-I327 HydrophobicContact CD1-CD1 3.84Å; F323-I327 HydrophobicContact CD1-CG1 4.34Å; F323-I327 HydrophobicContact CE1-CD1 4.14Å; F323-I327 HydrophobicContact CE1-CG1 4.46Å; F323-I327 WeakPolarHBondContact O-CG1 3.45Å; F323-I327 PolarHBondContact O-N 3.42Å; F323-I327 VanDerWaalsContact O-N 3.12Å
324	S	38.6	Very low	47	Very low	55 Å²	55	95.7 Å²	95.7	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-42.7	175.7	52.7	0	0	0	0	111.8	D321 S326 I327 H328	D321-S324 PolarHBondContact O-OG 2.79Å; D321-S324 PolarHBondContact OD1-OG 2.67Å; S324-S326 VanDerWaalsContact C-N 3.34Å; S324-S326 PolarHBondContact O-N 2.7Å; S324-I327 PolarHBondContact O-N 2.73Å; S324-H328 PolarHBondContact O-N 3.34Å
325	S	45.5	Very low	49.7	Very low	66 Å²	66	88.7 Å²	88.7	46%	0.462	46%	0.462	S	S	.	.	H	α-helix	trans	-66.7	-32.1	174.2	58	0	0	0	0	113.2	D321 D322	D321-S325 PolarHBondContact O-OG 2.85Å; D322-S325 PolarHBondContact O-OG 3.46Å
326	S	46.8	Very low	52.4	Low	43 Å²	43	79.7 Å²	79.7	30%	0.301	42%	0.423	S	S	.	.	H	α-helix	trans	-69.3	-36.5	175.1	-64.5	0	0	0	0	112.7	D322 F323 S324 R329	D322-S326 WeakPolarHBondContact O-CB 3.42Å; D322-S326 PolarHBondContact O-N 2.9Å; D322-S326 PolarHBondContact O-OG 3.47Å; F323-S326 WeakPolarHBondContact O-CB 3.24Å; F323-S326 PolarHBondContact O-N 2.92Å; S324-S326 VanDerWaalsContact C-N 3.34Å; S324-S326 PolarHBondContact O-N 2.7Å; S326-R329 PolarHBondContact O-N 2.89Å
327	I	43.8	Very low	55.4	Low	68 Å²	68	75.3 Å²	75.3	35%	0.349	40%	0.396	S	S	.	.	H	α-helix	trans	-66.4	-39.6	177.8	-68	163	0	0	0	111.1	F323 S324 R329 M330	F323-I327 HydrophobicContact CD1-CD1 3.84Å; F323-I327 HydrophobicContact CD1-CG1 4.34Å; F323-I327 HydrophobicContact CE1-CD1 4.14Å; F323-I327 HydrophobicContact CE1-CG1 4.46Å; F323-I327 WeakPolarHBondContact O-CG1 3.45Å; F323-I327 PolarHBondContact O-N 3.42Å; F323-I327 VanDerWaalsContact O-N 3.12Å; S324-I327 PolarHBondContact O-N 2.73Å; I327-R329 PolarHBondContact O-N 2.92Å; I327-R329 VanDerWaalsContact O-N 3.15Å; I327-M330 PolarHBondContact O-N 3.36Å
328	H	43.1	Very low	58.3	Low	158 Å²	158	67.2 Å²	67.2	73%	0.731	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.7	175.8	-93.4	-73.7	0	0	0	114.3	S324	S324-H328 PolarHBondContact O-N 3.34Å
329	R	50	Low	61	Low	180 Å²	180	62.4 Å²	62.4	68%	0.679	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.2	-178.4	-149.9	173.8	-175.7	167.9	-0.4	113.9	S326 I327 V331	S326-R329 PolarHBondContact O-N 2.89Å; I327-R329 PolarHBondContact O-N 2.92Å; I327-R329 VanDerWaalsContact O-N 3.15Å; R329-V331 VanDerWaalsContact C-N 3.31Å; R329-V331 PolarHBondContact O-N 2.86Å
330	M	54.7	Low	63	Low	22 Å²	22	58 Å²	58	11%	0.108	29%	0.293	C	S	.	.			trans	-79.9	73.8	-179.3	-66.6	169.5	74.7	0	0	111	I327 F365 I368	I327-M330 PolarHBondContact O-N 3.36Å; M330-F365 HydrophobicContact CB-CE1 4.32Å; M330-F365 HydrophobicContact CE-CB 4.02Å; M330-F365 HydrophobicContact CE-CD1 3.04Å; M330-F365 HydrophobicContact CE-CE1 3.55Å; M330-F365 HydrophobicContact CE-CG 3.77Å; M330-F365 HydrophobicContact CG-CE1 4.25Å; M330-I368 HydrophobicContact CE-CB 4.33Å; M330-I368 HydrophobicContact CE-CD1 4.27Å; M330-I368 HydrophobicContact CE-CG2 4.2Å
331	V	64.7	Low	65.3	Low	54 Å²	54	52.4 Å²	52.4	33%	0.327	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-95.7	128.3	173.4	-178.6	0	0	0	0	109.5	R329	R329-V331 VanDerWaalsContact C-N 3.31Å; R329-V331 PolarHBondContact O-N 2.86Å
332	I	70.7	Confident	67.2	Low	8 Å²	8	47.5 Å²	47.5	4%	0.041	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.7	124.5	174.4	-60.3	175.6	0	0	0	108.7	P137 L358 F365 Y378	P137-I332 HydrophobicContact CG-CG2 3.91Å; I332-L358 HydrophobicContact CG2-CD2 3.48Å; I332-L358 VanDerWaalsContact CG2-CD2 3.48Å; I332-F365 HydrophobicContact CG1-CD2 4.17Å; I332-F365 HydrophobicContact CG1-CE2 4Å; I332-Y378 HydrophobicContact CD1-CD1 4.39Å; I332-Y378 HydrophobicContact CD1-CE1 3.97Å
333	P	81.3	Confident	69	Low	2 Å²	2	43.3 Å²	43.3	1%	0.013	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.1	144.8	178.9	30.1	-39.3	0	0	0	111.7	K160 I297 F335 L358 L361	K160-P333 CarbonylContact O-C 3.5Å; K160-P333 WeakPolarHBondContact O-CA 3.39Å; I297-P333 HydrophobicContact CG2-CB 3.76Å; I297-P333 HydrophobicContact CG2-CG 3.63Å; P333-F335 HydrophobicContact CB-CE2 4.28Å; P333-F335 HydrophobicContact CG-CE2 3.85Å; P333-L358 HydrophobicContact CG-CD2 4.01Å; P333-L361 HydrophobicContact CG-CD2 4.21Å
334	H	84.8	Confident	70.9	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.7	168	-67.7	47.2	0	0	0	109.6	P137 Y139 L156 N159 K160 C161 L162	P137-H334 HydrophobicContact CB-CB 4.3Å; P137-H334 CarbonylContact O-C 3.12Å; P137-H334 VanDerWaalsContact O-CA 3.29Å; P137-H334 WeakPolarHBondContact O-CA 3.43Å; Y139-H334 AromaticContact CE2-CD2 3.91Å; L156-H334 HydrophobicContact CD2-CB 4.44Å; L156-H334 VanDerWaalsContact CD2-CD2 3.41Å; L156-H334 WeakPolarHBondContact CD2-CD2 3.35Å; N159-H334 WeakPolarHBondContact CB-ND1 3.25Å; N159-H334 PolarHBondContact ND2-CE1 3.3Å; N159-H334 PolarHBondContact ND2-NE2 2.73Å; K160-H334 PolarHBondContact O-N 2.97Å; C161-H334 CarbonylContact C-O 3.3Å; C161-H334 VanDerWaalsContact CA-O 3.26Å; C161-H334 WeakPolarHBondContact CA-O 3.29Å; C161-H334 HydrophobicContact CB-CB 4.15Å; L162-H334 PolarHBondContact N-O 3.43Å
335	F	89.8	Confident	73.2	Confident	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.1	170.5	-62.8	-126.4	0	0	0	108.9	P137 L138 Y139 L162 I164 F290 L294 P333 L358	P137-F335 PolarHBondContact O-N 3.06Å; L138-F335 HydrophobicContact CD2-CB 3.47Å; L138-F335 VanDerWaalsContact CD2-CB 3.47Å; L138-F335 HydrophobicContact CD2-CD2 3.76Å; L138-F335 HydrophobicContact CD2-CG 3.69Å; Y139-F335 PolarHBondContact N-O 3.36Å; L162-F335 HydrophobicContact CB-CD1 4.49Å; L162-F335 HydrophobicContact CD2-CD1 4.27Å; L162-F335 HydrophobicContact CD2-CE1 3.94Å; L162-F335 WeakPolarHBondContact O-CA 3.14Å; I164-F335 HydrophobicContact CD1-CD1 3.76Å; I164-F335 HydrophobicContact CD1-CE1 4.37Å; F290-F335 HydrophobicContact CE2-CD1 4.3Å; F290-F335 AromaticContact CE2-CE1 3.84Å; F290-F335 HydrophobicContact CE2-CE1 3.84Å; F290-F335 AromaticContact CZ-CE1 3.88Å; F290-F335 HydrophobicContact CZ-CE1 3.88Å; L294-F335 HydrophobicContact CD2-CE1 3.67Å; L294-F335 HydrophobicContact CD2-CZ 3.4Å; P333-F335 HydrophobicContact CB-CE2 4.28Å; P333-F335 HydrophobicContact CG-CE2 3.85Å; F335-L358 HydrophobicContact CD2-CD1 4.17Å; F335-L358 HydrophobicContact CD2-CD2 4.16Å; F335-L358 HydrophobicContact CD2-CG 4.14Å; F335-L358 HydrophobicContact CE2-CD1 4.31Å; F335-L358 HydrophobicContact CE2-CD2 3.55Å; F335-L358 HydrophobicContact CE2-CG 3.78Å; F335-L358 HydrophobicContact CZ-CD2 4.44Å
336	L	91.2	Very high	75.3	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.8	172.9	-175.5	64	0	0	0	107.9	Y139 L141 I153 L162 V163 I164 T338	Y139-L336 CarbonylContact O-C 3.59Å; Y139-L336 WeakPolarHBondContact O-CA 3.44Å; L141-L336 HydrophobicContact CD1-CD1 3.61Å; L141-L336 HydrophobicContact CD1-CD2 4.33Å; L141-L336 HydrophobicContact CD1-CG 4.25Å; L141-L336 HydrophobicContact CG-CD1 3.88Å; I153-L336 HydrophobicContact CG1-CD2 4.23Å; L162-L336 PolarHBondContact O-N 3.47Å; V163-L336 CarbonylContact C-O 3.53Å; V163-L336 WeakPolarHBondContact CA-O 3.27Å; V163-L336 HydrophobicContact CG1-CB 4.47Å; V163-L336 HydrophobicContact CG1-CD2 4.16Å; V163-L336 HydrophobicContact CG1-CG 4.5Å; V163-L336 HydrophobicContact CG2-CB 4.27Å; V163-L336 HydrophobicContact CG2-CD2 4.21Å; I164-L336 PolarHBondContact N-O 2.92Å; L336-T338 HydrophobicContact CG-CG2 4.33Å
337	V	93	Very high	77.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.6	-179.5	-176.4	0	0	0	0	108.8	Y139 G140 L141 I164 V166 I347 L351	Y139-V337 PolarHBondContact O-N 3.18Å; G140-V337 CarbonylContact C-O 3.55Å; G140-V337 WeakPolarHBondContact CA-O 3.48Å; L141-V337 PolarHBondContact N-O 3.22Å; I164-V337 HydrophobicContact CD1-CG2 4.41Å; I164-V337 CarbonylContact O-C 3.59Å; I164-V337 WeakPolarHBondContact O-CA 3.35Å; V166-V337 HydrophobicContact CG1-CG1 3.94Å; V166-V337 HydrophobicContact CG2-CG1 4.02Å; V337-I347 HydrophobicContact CB-CG2 4.43Å; V337-I347 HydrophobicContact CG1-CG2 4.07Å; V337-L351 HydrophobicContact CB-CD2 4.1Å; V337-L351 HydrophobicContact CB-CG 4.39Å; V337-L351 HydrophobicContact CG2-CD2 3.96Å; V337-L351 HydrophobicContact CG2-CG 4.43Å
338	T	91.3	Very high	79.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.8	177.2	68	0	0	0	0	110.5	L141 P144 I164 N165 V166 Y259 L336	L141-T338 HydrophobicContact CB-CG2 4.26Å; L141-T338 HydrophobicContact CD1-CG2 4.33Å; L141-T338 WeakPolarHBondContact O-CA 3.47Å; P144-T338 HydrophobicContact CG-CG2 4.06Å; I164-T338 PolarHBondContact O-N 3.33Å; N165-T338 WeakPolarHBondContact CA-O 3.46Å; N165-T338 WeakPolarHBondContact CA-OG1 3.26Å; V166-T338 VanDerWaalsContact CG2-O 3.24Å; V166-T338 WeakPolarHBondContact CG2-O 3.32Å; V166-T338 PolarHBondContact N-O 3.12Å; Y259-T338 HydrophobicContact CE1-CG2 4.05Å; Y259-T338 VanDerWaalsContact OH-CB 3.32Å; Y259-T338 WeakPolarHBondContact OH-CB 3.45Å; Y259-T338 PolarHBondContact OH-OG1 2.91Å; L336-T338 HydrophobicContact CG-CG2 4.33Å
339	G	89.1	Confident	82.2	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-177.5	176.6	0	0	0	0	0	111	L141 S142 Q143	L141-G339 PolarHBondContact O-N 3.07Å; S142-G339 CarbonylContact C-O 3.53Å; Q143-G339 VanDerWaalsContact CA-O 3.24Å; Q143-G339 WeakPolarHBondContact CA-O 3.46Å; Q143-G339 PolarHBondContact N-O 2.94Å
340	H	85.6	Confident	84.2	Confident	22 Å²	22	14.3 Å²	14.3	10%	0.102	8%	0.077	C	C	.	.	S	Bend	trans	-62.3	-68.2	-177	-177.6	-163.5	0	0	0	111.9	D108 Q143 R167 R186	D108-H340 IonicContact OD1-CD2 2.62Å; D108-H340 IonicContact OD1-NE2 2.63Å; D108-H340 PolarHBondContact OD1-NE2 2.95Å; Q143-H340 PolarHBondContact N-O 2.86Å; R167-H340 HydrophobicContact CG-CB 4.18Å; R186-H340 PolarHBondContact NH2-CE1 2.92Å
341	K	82.9	Confident	86.1	Confident	58 Å²	58	13.2 Å²	13.2	25%	0.252	7%	0.072	S	C	.	.			trans	-124.1	149.6	176.2	-58.5	-176.9	175.2	-172.1	0	112.1	D112 T343	D112-K341 IonicContact OD2-NZ 3.65Å; D112-K341 PolarHBondContact OD2-NZ 2.94Å; K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 2.72Å
342	M	80.8	Confident	87.5	Confident	8 Å²	8	10.8 Å²	10.8	4%	0.039	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-66.3	-30.2	174.8	-72.8	-64.3	-60.2	0	0	112.3	K128 Q130 I347 V468	K128-M342 HydrophobicContact CB-CG 4.19Å; Q130-M342 HydrophobicContact CB-CE 3.49Å; Q130-M342 VanDerWaalsContact CB-CE 3.49Å; Q130-M342 HydrophobicContact CG-CE 4.34Å; M342-I347 HydrophobicContact CE-CG2 4.19Å; M342-I347 HydrophobicContact CG-CD1 4.3Å; M342-I347 HydrophobicContact SD-CB 4.13Å; M342-I347 HydrophobicContact SD-CD1 3.55Å; M342-I347 VanDerWaalsContact SD-CD1 3.55Å; M342-I347 HydrophobicContact SD-CG1 4.44Å; M342-I347 HydrophobicContact SD-CG2 3.72Å; M342-V468 HydrophobicContact CE-CG2 4.46Å
343	T	79.8	Confident	88.7	Confident	44 Å²	44	10.5 Å²	10.5	27%	0.27	6%	0.055	S	C	.	.	G	3₁₀ helix	trans	-78.5	-11.9	-178.3	47.3	0	0	0	0	115.3	D114 K341 G345 V468 I469	D114-T343 WeakPolarHBondContact OD1-CG2 3.49Å; D114-T343 WeakPolarHBondContact OD2-CG2 3.36Å; K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 2.72Å; T343-G345 PolarHBondContact O-N 2.79Å; T343-V468 HydrophobicContact CG2-CG1 4.16Å; T343-I469 WeakPolarHBondContact O-CD1 3.19Å
344	D	80.8	Confident	89.3	Confident	34 Å²	34	10.4 Å²	10.4	18%	0.182	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-76	-12.2	-178.8	-63.9	-11.3	0	0	0	112	P278 S346	P278-D344 HydrophobicContact CB-CB 4.06Å; P278-D344 HydrophobicContact CG-CB 4.09Å; D344-S346 PolarHBondContact O-N 2.96Å
345	G	86.5	Confident	89.7	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.01	5%	0.053	C	C	.	.	S	Bend	trans	72.5	1	-179.2	0	0	0	0	0	114.6	T343 L349 I469 R510	T343-G345 PolarHBondContact O-N 2.79Å; G345-L349 WeakPolarHBondContact O-CB 3.26Å; G345-L349 PolarHBondContact O-N 3.11Å; G345-L349 VanDerWaalsContact O-N 3.09Å; G345-I469 VanDerWaalsContact CA-CD1 3.46Å; G345-R510 PolarHBondContact O-NH1 2.81Å
346	S	91.2	Very high	89.9	Confident	8 Å²	8	10.1 Å²	10.1	6%	0.056	5%	0.053	C	C	.	.	H	α-helix	trans	-70.5	-42.4	174.3	-62.3	0	0	0	0	111.7	F276 D344 L349 G350	F276-S346 WeakPolarHBondContact O-CB 3.19Å; F276-S346 PolarHBondContact O-OG 3.18Å; D344-S346 PolarHBondContact O-N 2.96Å; S346-L349 WeakPolarHBondContact O-CB 3.1Å; S346-L349 PolarHBondContact O-N 2.91Å; S346-G350 PolarHBondContact O-N 3.33Å; S346-G350 VanDerWaalsContact O-N 3.08Å
347	I	91.5	Very high	90	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-46.4	175.8	-63.9	165.5	0	0	0	110.1	L141 V166 V337 M342 L349 G350 L351	L141-I347 VanDerWaalsContact O-CD1 3.24Å; L141-I347 WeakPolarHBondContact O-CD1 3.42Å; V166-I347 HydrophobicContact CG2-CG1 4.28Å; V337-I347 HydrophobicContact CB-CG2 4.43Å; V337-I347 HydrophobicContact CG1-CG2 4.07Å; M342-I347 HydrophobicContact CE-CG2 4.19Å; M342-I347 HydrophobicContact CG-CD1 4.3Å; M342-I347 HydrophobicContact SD-CB 4.13Å; M342-I347 HydrophobicContact SD-CD1 3.55Å; M342-I347 VanDerWaalsContact SD-CD1 3.55Å; M342-I347 HydrophobicContact SD-CG1 4.44Å; M342-I347 HydrophobicContact SD-CG2 3.72Å; I347-L349 VanDerWaalsContact C-N 3.27Å; I347-L349 PolarHBondContact O-N 3.3Å; I347-G350 PolarHBondContact O-N 2.86Å; I347-G350 VanDerWaalsContact O-N 3.09Å; I347-L351 HydrophobicContact CG2-CD1 4.17Å; I347-L351 HydrophobicContact CG2-CG 4.35Å; I347-L351 WeakPolarHBondContact O-CG 3.38Å; I347-L351 PolarHBondContact O-N 2.92Å
348	Q	91.7	Very high	89.8	Confident	13 Å²	13	10.4 Å²	10.4	6%	0.061	6%	0.055	C	C	.	.	H	α-helix	trans	-56.6	-43.4	176.1	-168.8	-162.9	8.6	0	0	111.4	G350 L351 V352 F465 I469	Q348-G350 VanDerWaalsContact C-N 3.34Å; Q348-G350 PolarHBondContact O-N 3.21Å; Q348-L351 WeakPolarHBondContact O-CB 3.37Å; Q348-L351 PolarHBondContact O-N 3.27Å; Q348-V352 HydrophobicContact CG-CG2 4.4Å; Q348-V352 VanDerWaalsContact O-CG2 3.3Å; Q348-V352 WeakPolarHBondContact O-CG2 3.31Å; Q348-V352 PolarHBondContact O-N 2.82Å; Q348-F465 HydrophobicContact CG-CB 4.08Å; Q348-F465 PolarHBondContact NE2-O 3.19Å; Q348-I469 PolarHBondContact NE2-O 3.48Å; Q348-I469 VanDerWaalsContact OE1-CB 3.29Å; Q348-I469 PolarHBondContact OE1-O 3.49Å
349	L	94.2	Very high	89.7	Confident	7 Å²	7	14.3 Å²	14.3	4%	0.037	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-44.4	176.4	179.8	59.5	0	0	0	111.9	F276 F281 P282 G345 S346 I347 L351 V352 M353 L514	F276-L349 HydrophobicContact CD2-CB 4.41Å; F276-L349 HydrophobicContact CD2-CD2 4.19Å; F276-L349 HydrophobicContact CD2-CG 4.25Å; F276-L349 HydrophobicContact CE2-CG 4.26Å; F281-L349 HydrophobicContact CD2-CD1 4Å; F281-L349 HydrophobicContact CD2-CD2 4.24Å; F281-L349 HydrophobicContact CE2-CD1 4.16Å; P282-L349 VanDerWaalsContact CD-CD2 3.47Å; G345-L349 WeakPolarHBondContact O-CB 3.26Å; G345-L349 PolarHBondContact O-N 3.11Å; G345-L349 VanDerWaalsContact O-N 3.09Å; S346-L349 WeakPolarHBondContact O-CB 3.1Å; S346-L349 PolarHBondContact O-N 2.91Å; I347-L349 VanDerWaalsContact C-N 3.27Å; I347-L349 PolarHBondContact O-N 3.3Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L351 PolarHBondContact O-N 2.85Å; L349-V352 PolarHBondContact O-N 3.29Å; L349-M353 HydrophobicContact CD1-CG 4.47Å; L349-M353 HydrophobicContact CG-SD 4.45Å; L349-M353 WeakPolarHBondContact O-CG 3.24Å; L349-M353 PolarHBondContact O-N 2.91Å; L349-L514 HydrophobicContact CD1-CD1 4.09Å; L349-L514 HydrophobicContact CD1-CD2 3.83Å; L349-L514 HydrophobicContact CD1-CG 4.09Å
350	G	93.3	Very high	89.6	Confident	3 Å²	3	15 Å²	15	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-39.7	174.4	0	0	0	0	0	113.2	S346 I347 Q348 M353 G354	S346-G350 PolarHBondContact O-N 3.33Å; S346-G350 VanDerWaalsContact O-N 3.08Å; I347-G350 PolarHBondContact O-N 2.86Å; I347-G350 VanDerWaalsContact O-N 3.09Å; Q348-G350 VanDerWaalsContact C-N 3.34Å; Q348-G350 PolarHBondContact O-N 3.21Å; G350-M353 PolarHBondContact O-N 3.44Å; G350-G354 PolarHBondContact O-N 3.15Å
351	L	93.5	Very high	89.5	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.1	-43.8	175.3	-68.5	174	0	0	0	112.3	Q130 L138 V337 I347 Q348 L349 G354 H355 F465	Q130-L351 HydrophobicContact CB-CD1 4.28Å; Q130-L351 HydrophobicContact CG-CD1 4.28Å; L138-L351 HydrophobicContact CB-CD2 4.31Å; V337-L351 HydrophobicContact CB-CD2 4.1Å; V337-L351 HydrophobicContact CB-CG 4.39Å; V337-L351 HydrophobicContact CG2-CD2 3.96Å; V337-L351 HydrophobicContact CG2-CG 4.43Å; I347-L351 HydrophobicContact CG2-CD1 4.17Å; I347-L351 HydrophobicContact CG2-CG 4.35Å; I347-L351 WeakPolarHBondContact O-CG 3.38Å; I347-L351 PolarHBondContact O-N 2.92Å; Q348-L351 WeakPolarHBondContact O-CB 3.37Å; Q348-L351 PolarHBondContact O-N 3.27Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L351 PolarHBondContact O-N 2.85Å; L351-G354 PolarHBondContact O-N 3.37Å; L351-H355 WeakPolarHBondContact O-CB 3.24Å; L351-H355 PolarHBondContact O-N 3.48Å; L351-F465 HydrophobicContact CB-CD1 4.21Å; L351-F465 HydrophobicContact CB-CD2 3.82Å; L351-F465 HydrophobicContact CB-CE1 4.09Å; L351-F465 HydrophobicContact CB-CE2 3.71Å; L351-F465 HydrophobicContact CB-CG 4.07Å; L351-F465 HydrophobicContact CB-CZ 3.85Å; L351-F465 HydrophobicContact CD1-CD1 3.84Å; L351-F465 HydrophobicContact CD1-CE1 4.02Å; L351-F465 HydrophobicContact CD1-CG 4.26Å; L351-F465 HydrophobicContact CD2-CE1 4.39Å; L351-F465 HydrophobicContact CD2-CZ 4.45Å; L351-F465 HydrophobicContact CG-CE1 4.41Å; L351-F465 WeakPolarHBondContact O-CE2 3.48Å
352	V	94.8	Very high	89.4	Confident	3 Å²	3	12.1 Å²	12.1	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-45.1	176.5	172.8	0	0	0	0	110.6	Q348 L349 G354 H355 L356 A461 I462 F465 L514	Q348-V352 HydrophobicContact CG-CG2 4.4Å; Q348-V352 VanDerWaalsContact O-CG2 3.3Å; Q348-V352 WeakPolarHBondContact O-CG2 3.31Å; Q348-V352 PolarHBondContact O-N 2.82Å; L349-V352 PolarHBondContact O-N 3.29Å; V352-G354 VanDerWaalsContact C-N 3.33Å; V352-G354 PolarHBondContact O-N 2.79Å; V352-H355 WeakPolarHBondContact O-CB 3.4Å; V352-H355 PolarHBondContact O-N 3.03Å; V352-L356 HydrophobicContact CG1-CD1 4.24Å; V352-L356 WeakPolarHBondContact O-CG 3.14Å; V352-L356 PolarHBondContact O-N 2.86Å; V352-A461 HydrophobicContact CG1-CB 3.98Å; V352-I462 HydrophobicContact CG1-CG1 4.3Å; V352-I462 HydrophobicContact CG2-CG1 4.36Å; V352-F465 HydrophobicContact CG2-CD2 4.15Å; V352-L514 HydrophobicContact CG1-CD1 4.1Å; V352-L514 HydrophobicContact CG1-CD2 3.86Å
353	M	95.3	Very high	89.4	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-41.9	174.9	-71.4	-179.4	70.4	0	0	111.9	F276 F281 P282 V287 F290 L349 G350 L356 A357 L514 F517	F276-M353 HydrophobicContact CE2-SD 4.04Å; F276-M353 HydrophobicContact CZ-SD 3.89Å; F281-M353 HydrophobicContact CE2-SD 4.48Å; P282-M353 HydrophobicContact CG-SD 4.47Å; V287-M353 HydrophobicContact CG1-CE 4.14Å; V287-M353 HydrophobicContact CG2-CE 4.16Å; F290-M353 HydrophobicContact CD1-CE 3.8Å; F290-M353 HydrophobicContact CE1-CB 4.22Å; F290-M353 HydrophobicContact CE1-CE 4.11Å; F290-M353 HydrophobicContact CZ-CB 4.43Å; L349-M353 HydrophobicContact CD1-CG 4.47Å; L349-M353 HydrophobicContact CG-SD 4.45Å; L349-M353 WeakPolarHBondContact O-CG 3.24Å; L349-M353 PolarHBondContact O-N 2.91Å; G350-M353 PolarHBondContact O-N 3.44Å; M353-L356 PolarHBondContact O-N 2.94Å; M353-A357 WeakPolarHBondContact O-CB 3.18Å; M353-A357 PolarHBondContact O-N 2.83Å; M353-L514 HydrophobicContact CG-CD2 4.08Å; M353-F517 HydrophobicContact CB-CE1 4.12Å; M353-F517 HydrophobicContact CE-CD2 4.23Å; M353-F517 HydrophobicContact CE-CE1 4.22Å; M353-F517 HydrophobicContact CE-CE2 3.93Å; M353-F517 HydrophobicContact CE-CZ 3.95Å; M353-F517 HydrophobicContact CG-CD1 4.35Å; M353-F517 HydrophobicContact CG-CE1 4.22Å
354	G	93.3	Very high	89.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-42.2	173.8	0	0	0	0	0	112.9	G350 L351 V352 A357 L358	G350-G354 PolarHBondContact O-N 3.15Å; L351-G354 PolarHBondContact O-N 3.37Å; V352-G354 VanDerWaalsContact C-N 3.33Å; V352-G354 PolarHBondContact O-N 2.79Å; G354-A357 PolarHBondContact O-N 3.17Å; G354-L358 WeakPolarHBondContact O-CB 3.19Å; G354-L358 WeakPolarHBondContact O-CG 3.4Å; G354-L358 PolarHBondContact O-N 2.89Å
355	H	94.3	Very high	88.9	Confident	4 Å²	4	12.8 Å²	12.8	2%	0.019	8%	0.075	C	C	.	.	H	α-helix	trans	-58.8	-50.3	175.4	-175.4	128.8	0	0	0	111.7	L136 L138 L351 V352 A357 L358 K359 A461 D464 F465	L136-H355 HydrophobicContact CD1-CB 4.34Å; L136-H355 VanDerWaalsContact CD1-CE1 3.47Å; L136-H355 WeakPolarHBondContact CD1-CE1 3.33Å; L136-H355 WeakPolarHBondContact CD1-ND1 3.23Å; L138-H355 HydrophobicContact CD1-CB 3.76Å; L351-H355 WeakPolarHBondContact O-CB 3.24Å; L351-H355 PolarHBondContact O-N 3.48Å; V352-H355 WeakPolarHBondContact O-CB 3.4Å; V352-H355 PolarHBondContact O-N 3.03Å; H355-A357 VanDerWaalsContact C-N 3.34Å; H355-A357 PolarHBondContact O-N 2.7Å; H355-L358 PolarHBondContact O-N 2.94Å; H355-K359 WeakPolarHBondContact NE2-CE 3.25Å; H355-K359 WeakPolarHBondContact O-CG 3.36Å; H355-K359 PolarHBondContact O-N 3.09Å; H355-A461 HydrophobicContact CB-CB 4.07Å; H355-D464 IonicContact CE1-OD2 2.91Å; H355-D464 PolarHBondContact CE1-OD2 2.9Å; H355-D464 VanDerWaalsContact CE1-OD2 3.26Å; H355-D464 IonicContact ND1-OD2 2.68Å; H355-D464 PolarHBondContact ND1-OD2 3.06Å; H355-F465 HydrophobicContact CB-CE2 4.01Å
356	L	94.3	Very high	88.2	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-61.2	-44.8	179.8	-64.8	170.7	0	0	0	111	V352 M353 L358 K359 A360 E457 V458 A461 L514 F517 N518 L521	V352-L356 HydrophobicContact CG1-CD1 4.24Å; V352-L356 WeakPolarHBondContact O-CG 3.14Å; V352-L356 PolarHBondContact O-N 2.86Å; M353-L356 PolarHBondContact O-N 2.94Å; L356-L358 PolarHBondContact O-N 2.92Å; L356-K359 PolarHBondContact O-N 2.7Å; L356-A360 WeakPolarHBondContact O-CB 3.37Å; L356-A360 PolarHBondContact O-N 3.43Å; L356-E457 HydrophobicContact CD2-CB 4.45Å; L356-V458 HydrophobicContact CD1-CG2 4.12Å; L356-V458 HydrophobicContact CD2-CG2 4.15Å; L356-A461 HydrophobicContact CD2-CB 3.86Å; L356-A461 HydrophobicContact CG-CB 4.08Å; L356-L514 HydrophobicContact CD1-CD2 4.31Å; L356-F517 HydrophobicContact CB-CE1 4.34Å; L356-F517 HydrophobicContact CD1-CD1 4.12Å; L356-N518 HydrophobicContact CD1-CB 4.18Å; L356-N518 HydrophobicContact CD2-CB 4.31Å; L356-L521 HydrophobicContact CB-CD1 3.83Å
357	A	91.8	Very high	87.2	Confident	5 Å²	5	21.2 Å²	21.2	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-43.5	176	0	0	0	0	0	112.5	L294 M353 G354 H355 A360 L361 L521	L294-A357 HydrophobicContact CD1-CB 3.7Å; L294-A357 HydrophobicContact CD2-CB 4.18Å; M353-A357 WeakPolarHBondContact O-CB 3.18Å; M353-A357 PolarHBondContact O-N 2.83Å; G354-A357 PolarHBondContact O-N 3.17Å; H355-A357 VanDerWaalsContact C-N 3.34Å; H355-A357 PolarHBondContact O-N 2.7Å; A357-A360 PolarHBondContact O-N 2.84Å; A357-L361 WeakPolarHBondContact O-CB 3.25Å; A357-L361 PolarHBondContact O-N 2.96Å; A357-L521 HydrophobicContact CB-CD1 4.47Å
358	L	89.4	Confident	86.1	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-39.7	178	-77.1	-174.2	0	0	0	113	L136 P137 L138 I332 P333 F335 G354 H355 L356 L361 S362	L136-L358 HydrophobicContact CB-CD1 4.37Å; P137-L358 HydrophobicContact CG-CD1 3.91Å; L138-L358 HydrophobicContact CD1-CD1 4.04Å; L138-L358 HydrophobicContact CD2-CD1 3.45Å; L138-L358 VanDerWaalsContact CD2-CD1 3.45Å; L138-L358 HydrophobicContact CD2-CG 4.31Å; L138-L358 HydrophobicContact CG-CD1 3.63Å; I332-L358 HydrophobicContact CG2-CD2 3.48Å; I332-L358 VanDerWaalsContact CG2-CD2 3.48Å; P333-L358 HydrophobicContact CG-CD2 4.01Å; F335-L358 HydrophobicContact CD2-CD1 4.17Å; F335-L358 HydrophobicContact CD2-CD2 4.16Å; F335-L358 HydrophobicContact CD2-CG 4.14Å; F335-L358 HydrophobicContact CE2-CD1 4.31Å; F335-L358 HydrophobicContact CE2-CD2 3.55Å; F335-L358 HydrophobicContact CE2-CG 3.78Å; F335-L358 HydrophobicContact CZ-CD2 4.44Å; G354-L358 WeakPolarHBondContact O-CB 3.19Å; G354-L358 WeakPolarHBondContact O-CG 3.4Å; G354-L358 PolarHBondContact O-N 2.89Å; H355-L358 PolarHBondContact O-N 2.94Å; L356-L358 PolarHBondContact O-N 2.92Å; L358-L361 PolarHBondContact O-N 3.44Å; L358-S362 VanDerWaalsContact O-CB 3.27Å; L358-S362 WeakPolarHBondContact O-CB 3.37Å; L358-S362 PolarHBondContact O-N 2.76Å
359	K	88.9	Confident	84.8	Confident	83 Å²	83	25 Å²	25	36%	0.361	14%	0.14	S	C	.	.	H	α-helix	trans	-65.3	-43.5	175.3	-74.7	-69.8	-174.6	179.9	0	111.4	H355 L356 L361 S362 S363	H355-K359 WeakPolarHBondContact NE2-CE 3.25Å; H355-K359 WeakPolarHBondContact O-CG 3.36Å; H355-K359 PolarHBondContact O-N 3.09Å; L356-K359 PolarHBondContact O-N 2.7Å; K359-L361 VanDerWaalsContact C-N 3.33Å; K359-L361 PolarHBondContact O-N 2.86Å; K359-S362 PolarHBondContact O-N 2.99Å; K359-S363 PolarHBondContact O-N 3.24Å
360	A	87.3	Confident	83.2	Confident	14 Å²	14	29.8 Å²	29.8	12%	0.116	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-43.6	174.4	0	0	0	0	0	111.6	L356 A357 S363 I364 L521 M525	L356-A360 WeakPolarHBondContact O-CB 3.37Å; L356-A360 PolarHBondContact O-N 3.43Å; A357-A360 PolarHBondContact O-N 2.84Å; A360-S363 WeakPolarHBondContact O-CB 3.33Å; A360-S363 PolarHBondContact O-N 2.84Å; A360-I364 PolarHBondContact O-N 2.85Å; A360-L521 HydrophobicContact CB-CB 4.18Å; A360-L521 HydrophobicContact CB-CD1 4.45Å; A360-M525 HydrophobicContact CB-CG 4.32Å
361	L	84	Confident	81.2	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-44.6	176.1	-174.2	66.9	0	0	0	112.4	L302 P333 A357 L358 K359 S363 I364 F365 M525	L302-L361 HydrophobicContact CD1-CD1 4.33Å; P333-L361 HydrophobicContact CG-CD2 4.21Å; A357-L361 WeakPolarHBondContact O-CB 3.25Å; A357-L361 PolarHBondContact O-N 2.96Å; L358-L361 PolarHBondContact O-N 3.44Å; K359-L361 VanDerWaalsContact C-N 3.33Å; K359-L361 PolarHBondContact O-N 2.86Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 2.93Å; L361-I364 PolarHBondContact O-N 3.28Å; L361-F365 HydrophobicContact CD1-CE1 4.05Å; L361-F365 HydrophobicContact CD1-CE2 3.96Å; L361-F365 HydrophobicContact CD1-CZ 3.7Å; L361-F365 HydrophobicContact CD2-CD2 4.47Å; L361-F365 HydrophobicContact CD2-CE2 3.58Å; L361-F365 HydrophobicContact CD2-CZ 3.89Å; L361-F365 HydrophobicContact CG-CD2 3.93Å; L361-F365 HydrophobicContact CG-CE1 4.4Å; L361-F365 HydrophobicContact CG-CE2 3.42Å; L361-F365 VanDerWaalsContact CG-CE2 3.42Å; L361-F365 HydrophobicContact CG-CZ 3.72Å; L361-F365 WeakPolarHBondContact O-CG 3.39Å; L361-F365 PolarHBondContact O-N 2.98Å; L361-M525 HydrophobicContact CB-CE 3.54Å; L361-M525 HydrophobicContact CD1-CE 3.38Å; L361-M525 HydrophobicContact CG-CE 4.02Å
362	S	81.7	Confident	79.2	Confident	15 Å²	15	39 Å²	39	11%	0.105	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-38.4	177.5	179.7	0	0	0	0	112.2	L358 K359 I364 F365 T366 Y378	L358-S362 VanDerWaalsContact O-CB 3.27Å; L358-S362 WeakPolarHBondContact O-CB 3.37Å; L358-S362 PolarHBondContact O-N 2.76Å; K359-S362 PolarHBondContact O-N 2.99Å; S362-I364 PolarHBondContact O-N 2.85Å; S362-F365 PolarHBondContact O-N 2.9Å; S362-T366 WeakPolarHBondContact O-CB 3.36Å; S362-T366 PolarHBondContact O-N 3.47Å; S362-T366 PolarHBondContact O-OG1 2.84Å; S362-Y378 PolarHBondContact OG-OH 3.29Å
363	S	79.9	Confident	76.6	Confident	76 Å²	76	44.8 Å²	44.8	53%	0.531	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-45.6	174.6	-173.8	0	0	0	0	111.9	K359 A360 L361 T366 L367	K359-S363 PolarHBondContact O-N 3.24Å; A360-S363 WeakPolarHBondContact O-CB 3.33Å; A360-S363 PolarHBondContact O-N 2.84Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 2.93Å; S363-T366 PolarHBondContact O-N 3.27Å; S363-L367 PolarHBondContact O-N 3.19Å
364	I	76.8	Confident	74	Confident	22 Å²	22	51.6 Å²	51.6	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-41.3	176.6	-66.2	178.2	0	0	0	111.5	L302 A360 L361 S362 T366 L367 I368 M525 Q526	L302-I364 HydrophobicContact CD2-CG2 3.9Å; A360-I364 PolarHBondContact O-N 2.85Å; L361-I364 PolarHBondContact O-N 3.28Å; S362-I364 PolarHBondContact O-N 2.85Å; I364-T366 VanDerWaalsContact C-N 3.3Å; I364-T366 PolarHBondContact O-N 3.45Å; I364-L367 WeakPolarHBondContact O-CB 3.42Å; I364-L367 PolarHBondContact O-N 2.99Å; I364-L367 VanDerWaalsContact O-N 3.15Å; I364-I368 HydrophobicContact CG2-CD1 3.82Å; I364-I368 HydrophobicContact CG2-CG1 4.41Å; I364-I368 WeakPolarHBondContact O-CG1 3.26Å; I364-I368 PolarHBondContact O-N 2.85Å; I364-M525 HydrophobicContact CD1-CB 3.99Å; I364-M525 HydrophobicContact CD1-CG 3.29Å; I364-M525 HydrophobicContact CG1-CG 4.47Å; I364-Q526 HydrophobicContact CD1-CG 4.46Å
365	F	74	Confident	71.4	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-40.8	176.2	-70.2	-27	0	0	0	112.2	L302 M330 I332 L361 S362 L367 I368 N369	L302-F365 HydrophobicContact CD2-CD1 3.92Å; L302-F365 HydrophobicContact CD2-CE1 3.6Å; L302-F365 HydrophobicContact CG-CE1 4.1Å; M330-F365 HydrophobicContact CB-CE1 4.32Å; M330-F365 HydrophobicContact CE-CB 4.02Å; M330-F365 HydrophobicContact CE-CD1 3.04Å; M330-F365 HydrophobicContact CE-CE1 3.55Å; M330-F365 HydrophobicContact CE-CG 3.77Å; M330-F365 HydrophobicContact CG-CE1 4.25Å; I332-F365 HydrophobicContact CG1-CD2 4.17Å; I332-F365 HydrophobicContact CG1-CE2 4Å; L361-F365 HydrophobicContact CD1-CE1 4.05Å; L361-F365 HydrophobicContact CD1-CE2 3.96Å; L361-F365 HydrophobicContact CD1-CZ 3.7Å; L361-F365 HydrophobicContact CD2-CD2 4.47Å; L361-F365 HydrophobicContact CD2-CE2 3.58Å; L361-F365 HydrophobicContact CD2-CZ 3.89Å; L361-F365 HydrophobicContact CG-CD2 3.93Å; L361-F365 HydrophobicContact CG-CE1 4.4Å; L361-F365 HydrophobicContact CG-CE2 3.42Å; L361-F365 VanDerWaalsContact CG-CE2 3.42Å; L361-F365 HydrophobicContact CG-CZ 3.72Å; L361-F365 WeakPolarHBondContact O-CG 3.39Å; L361-F365 PolarHBondContact O-N 2.98Å; S362-F365 PolarHBondContact O-N 2.9Å; F365-L367 VanDerWaalsContact C-N 3.32Å; F365-L367 PolarHBondContact O-N 3.47Å; F365-I368 PolarHBondContact O-N 2.85Å; F365-N369 PolarHBondContact O-N 3.01Å
366	T	71.5	Confident	68.8	Low	50 Å²	50	61.7 Å²	61.7	31%	0.307	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-36.8	174.5	-50.9	0	0	0	0	111.6	S362 S363 I364 N369	S362-T366 WeakPolarHBondContact O-CB 3.36Å; S362-T366 PolarHBondContact O-N 3.47Å; S362-T366 PolarHBondContact O-OG1 2.84Å; S363-T366 PolarHBondContact O-N 3.27Å; I364-T366 VanDerWaalsContact C-N 3.3Å; I364-T366 PolarHBondContact O-N 3.45Å; T366-N369 CarbonylContact O-C 3.47Å; T366-N369 VanDerWaalsContact O-C 3.27Å
367	L	70.3	Confident	66.3	Low	136 Å²	136	63.4 Å²	63.4	71%	0.712	33%	0.333	S	S	*	.	H	α-helix	trans	-66.7	-37.8	176.1	-176.2	66.6	0	0	0	112.6	S363 I364 F365	S363-L367 PolarHBondContact O-N 3.19Å; I364-L367 WeakPolarHBondContact O-CB 3.42Å; I364-L367 PolarHBondContact O-N 2.99Å; I364-L367 VanDerWaalsContact O-N 3.15Å; F365-L367 VanDerWaalsContact C-N 3.32Å; F365-L367 PolarHBondContact O-N 3.47Å
368	I	67.8	Low	64.1	Low	43 Å²	43	66.1 Å²	66.1	22%	0.221	34%	0.343	C	S	.	.	H	α-helix	trans	-72.7	-38.7	178.7	-67.4	167.9	0	0	0	111	L302 L306 M330 I364 F365	L302-I368 HydrophobicContact CD2-CD1 3.68Å; L306-I368 HydrophobicContact CD1-CD1 4.28Å; L306-I368 HydrophobicContact CD2-CD1 4.37Å; L306-I368 HydrophobicContact CD2-CG1 4.1Å; M330-I368 HydrophobicContact CE-CB 4.33Å; M330-I368 HydrophobicContact CE-CD1 4.27Å; M330-I368 HydrophobicContact CE-CG2 4.2Å; I364-I368 HydrophobicContact CG2-CD1 3.82Å; I364-I368 HydrophobicContact CG2-CG1 4.41Å; I364-I368 WeakPolarHBondContact O-CG1 3.26Å; I364-I368 PolarHBondContact O-N 2.85Å; F365-I368 PolarHBondContact O-N 2.85Å
369	N	65.5	Low	61.4	Low	51 Å²	51	69.7 Å²	69.7	27%	0.273	36%	0.36	S	S	.	.			trans	-128.1	83.9	-179.3	-171.6	7.6	0	0	0	111.7	F365 T366 E371 G372	F365-N369 PolarHBondContact O-N 3.01Å; T366-N369 CarbonylContact O-C 3.47Å; T366-N369 VanDerWaalsContact O-C 3.27Å; N369-E371 VanDerWaalsContact C-N 3.28Å; N369-E371 PolarHBondContact O-N 2.84Å; N369-E371 PolarHBondContact OD1-N 3.48Å; N369-G372 PolarHBondContact O-N 3.02Å; N369-G372 PolarHBondContact OD1-N 3.37Å
370	P	58.6	Low	58.7	Low	107 Å²	107	73.6 Å²	73.6	70%	0.695	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.4	177.6	27.2	-33.6	0	0	0	113.5
371	E	53	Low	56.2	Low	180 Å²	180	75.4 Å²	75.4	84%	0.841	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-15.7	176.5	-68	-173	175.6	0	0	112.9	N369 Q373	N369-E371 VanDerWaalsContact C-N 3.28Å; N369-E371 PolarHBondContact O-N 2.84Å; N369-E371 PolarHBondContact OD1-N 3.48Å; E371-Q373 PolarHBondContact O-N 2.86Å
372	G	51.2	Low	53.6	Low	16 Å²	16	79.7 Å²	79.7	17%	0.165	41%	0.405	C	S	.	.	S	Bend	trans	-64.1	103.8	170.8	0	0	0	0	0	109	N369 Q374	N369-G372 PolarHBondContact O-N 3.02Å; N369-G372 PolarHBondContact OD1-N 3.37Å; G372-Q374 PolarHBondContact O-N 2.87Å
373	Q	39.9	Very low	50.9	Low	125 Å²	125	85.2 Å²	85.2	58%	0.584	44%	0.438	S	S	*	.			trans	-52.2	128.1	176.1	-57.8	-175.2	4.3	0	0	107.6	E371 K375 D376	E371-Q373 PolarHBondContact O-N 2.86Å; Q373-K375 HydrophobicContact CB-CB 4.41Å; Q373-K375 CarbonylContact O-C 3.5Å; Q373-K375 PolarHBondContact O-N 2.9Å; Q373-D376 PolarHBondContact O-N 3.46Å
374	Q	40.5	Very low	48.3	Very low	145 Å²	145	86 Å²	86	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-49.7	-25.7	174.6	-80.4	177.8	-24.8	0	0	112.1	G372 Y378	G372-Q374 PolarHBondContact O-N 2.87Å; Q374-Y378 WeakPolarHBondContact O-CD2 3.37Å
375	K	39.8	Very low	45.7	Very low	144 Å²	144	91.9 Å²	91.9	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-62	-46.5	171.1	-73	-173.1	177.7	178.9	0	112.4	Q373 L377 Y378 Q379	Q373-K375 HydrophobicContact CB-CB 4.41Å; Q373-K375 CarbonylContact O-C 3.5Å; Q373-K375 PolarHBondContact O-N 2.9Å; K375-L377 PolarHBondContact O-N 3.4Å; K375-Y378 PolarHBondContact O-N 3.36Å; K375-Q379 WeakPolarHBondContact O-CA 3.22Å; K375-Q379 WeakPolarHBondContact O-CB 3.26Å; K375-Q379 WeakPolarHBondContact O-CG 3.47Å; K375-Q379 PolarHBondContact O-N 3.28Å
376	D	39	Very low	43.2	Very low	72 Å²	72	100.2 Å²	100.2	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-69.4	-34.4	-176	-66.3	-34	0	0	0	114.2	Q373 Y378 Q379 F380	Q373-D376 PolarHBondContact O-N 3.46Å; D376-Y378 VanDerWaalsContact C-N 3.29Å; D376-Y378 PolarHBondContact O-N 3.37Å; D376-Q379 PolarHBondContact O-N 2.98Å; D376-F380 PolarHBondContact O-N 3.03Å; D376-F380 VanDerWaalsContact O-N 3.13Å
377	L	42.1	Very low	40.9	Very low	37 Å²	37	103.4 Å²	103.4	19%	0.194	53%	0.531	C	S	.	.	H	α-helix	trans	-65.4	-31.1	177.6	-86.5	154.9	0	0	0	113.1	K375	K375-L377 PolarHBondContact O-N 3.4Å
378	Y	45.3	Very low	38.6	Very low	62 Å²	62	104 Å²	104	24%	0.243	53%	0.534	C	S	.	.	H	α-helix	trans	-101.1	-20.3	174.4	-64.2	-73.8	0	0	0	112.7	L136 I332 S362 Q374 K375 D376 N381	L136-Y378 HydrophobicContact CD2-CE1 3.87Å; I332-Y378 HydrophobicContact CD1-CD1 4.39Å; I332-Y378 HydrophobicContact CD1-CE1 3.97Å; S362-Y378 PolarHBondContact OG-OH 3.29Å; Q374-Y378 WeakPolarHBondContact O-CD2 3.37Å; K375-Y378 PolarHBondContact O-N 3.36Å; D376-Y378 VanDerWaalsContact C-N 3.29Å; D376-Y378 PolarHBondContact O-N 3.37Å; Y378-N381 VanDerWaalsContact O-CB 3.24Å; Y378-N381 WeakPolarHBondContact O-CB 3.18Å; Y378-N381 PolarHBondContact O-N 3.22Å; Y378-N381 PolarHBondContact O-ND2 2.98Å
379	Q	32.8	Very low	36.3	Very low	79 Å²	79	107 Å²	107	37%	0.369	56%	0.558	S	S	.	*	H	α-helix	trans	-83.7	-20.2	-179.1	-82.3	-177.1	-42.4	0	0	114.5	K375 D376 N381 Q382	K375-Q379 WeakPolarHBondContact O-CA 3.22Å; K375-Q379 WeakPolarHBondContact O-CB 3.26Å; K375-Q379 WeakPolarHBondContact O-CG 3.47Å; K375-Q379 PolarHBondContact O-N 3.28Å; D376-Q379 PolarHBondContact O-N 2.98Å; Q379-N381 PolarHBondContact O-N 3Å; Q379-Q382 HydrophobicContact CG-CG 4.42Å; Q379-Q382 PolarHBondContact O-N 2.85Å
380	F	30.9	Very low	34.2	Very low	165 Å²	165	112.3 Å²	112.3	72%	0.724	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-11.1	162.5	-98.5	-80	0	0	0	112.3	D376	D376-F380 PolarHBondContact O-N 3.03Å; D376-F380 VanDerWaalsContact O-N 3.13Å
381	N	35.2	Very low	32.4	Very low	52 Å²	52	111.6 Å²	111.6	28%	0.278	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-0.8	171.6	-50.1	-45.2	0	0	0	114.4	Y378 Q379	Y378-N381 VanDerWaalsContact O-CB 3.24Å; Y378-N381 WeakPolarHBondContact O-CB 3.18Å; Y378-N381 PolarHBondContact O-N 3.22Å; Y378-N381 PolarHBondContact O-ND2 2.98Å; Q379-N381 PolarHBondContact O-N 3Å
382	Q	29.2	Very low	30.9	Very low	96 Å²	96	112 Å²	112	45%	0.449	58%	0.582	S	S	.	*			trans	-96.6	4.5	-173.5	-73.7	-173.9	8.9	0	0	115.6	Q379 T384	Q379-Q382 HydrophobicContact CG-CG 4.42Å; Q379-Q382 PolarHBondContact O-N 2.85Å; Q382-T384 PolarHBondContact O-N 2.84Å
383	T	24.9	Very low	29.5	Very low	130 Å²	130	118 Å²	118	80%	0.798	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	44.3	171	58.4	0	0	0	0	112.5
384	T	25.6	Very low	28.6	Very low	94 Å²	94	119.8 Å²	119.8	58%	0.577	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.2	42.1	165.3	50.9	0	0	0	0	111.9	Q382	Q382-T384 PolarHBondContact O-N 2.84Å
385	N	22.1	Very low	27.7	Very low	144 Å²	144	121.3 Å²	121.3	77%	0.77	63%	0.626	S	S	*	*			trans	-114.3	74.2	159.1	-82.5	-24.2	0	0	0	108.8	P387	N385-P387 WeakPolarHBondContact O-CD 3.25Å
386	H	22.8	Very low	26.8	Very low	176 Å²	176	121 Å²	121	82%	0.815	63%	0.631	S	S	*	*			trans	-68.2	118.1	151.7	-89	-64.9	0	0	0	106.6	I388	H386-I388 PolarHBondContact O-N 3.45Å
387	P	21.6	Very low	26	Very low	118 Å²	118	125.9 Å²	125.9	77%	0.766	65%	0.651	S	S	*	*			trans	-68.5	100.6	178.9	27.9	-30	0	0	0	107	N385 S389	N385-P387 WeakPolarHBondContact O-CD 3.25Å; P387-S389 VanDerWaalsContact C-N 3.28Å; P387-S389 PolarHBondContact O-N 3.2Å
388	I	22.3	Very low	25	Very low	148 Å²	148	130.6 Å²	130.6	76%	0.759	68%	0.677	S	S	*	*			trans	-67.3	102.4	164.4	-62.9	173.6	0	0	0	104.7	H386 L390	H386-I388 PolarHBondContact O-N 3.45Å; I388-L390 VanDerWaalsContact C-N 3.27Å; I388-L390 PolarHBondContact O-N 2.95Å
389	S	19.5	Very low	24	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	70%	0.699	S	S	*	*			trans	-46.4	91.1	165.1	51.4	0	0	0	0	109.5	P387 S391	P387-S389 VanDerWaalsContact C-N 3.28Å; P387-S389 PolarHBondContact O-N 3.2Å; S389-S391 VanDerWaalsContact C-N 3.33Å; S389-S391 PolarHBondContact O-N 2.95Å
390	L	21.5	Very low	23.4	Very low	162 Å²	162	135.9 Å²	135.9	85%	0.848	72%	0.716	S	S	*	*			trans	-67.9	101.9	161	-84.4	145.8	0	0	0	105.9	I388 K392	I388-L390 VanDerWaalsContact C-N 3.27Å; I388-L390 PolarHBondContact O-N 2.95Å; L390-K392 PolarHBondContact O-N 3.12Å
391	S	21.7	Very low	23	Very low	92 Å²	92	134.7 Å²	134.7	64%	0.643	72%	0.717	S	S	*	*			trans	-44	129.2	171.5	38	0	0	0	0	110	S389 N393	S389-S391 VanDerWaalsContact C-N 3.33Å; S389-S391 PolarHBondContact O-N 2.95Å; S391-N393 VanDerWaalsContact C-N 3.25Å; S391-N393 PolarHBondContact O-N 3.03Å
392	K	20.2	Very low	22.4	Very low	188 Å²	188	140.1 Å²	140.1	82%	0.817	74%	0.74	S	S	*	*			trans	-56.7	89.5	163.8	-65.4	173	176.3	179.9	0	108.5	L390	L390-K392 PolarHBondContact O-N 3.12Å
393	N	22.2	Very low	22.1	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	76%	0.762	S	S	*	*			trans	-97.8	90.4	158.7	-84	-0.6	0	0	0	107.3	S391 H395	S391-N393 VanDerWaalsContact C-N 3.25Å; S391-N393 PolarHBondContact O-N 3.03Å; N393-H395 PolarHBondContact O-N 3.3Å
394	E	20.8	Very low	21.9	Very low	163 Å²	163	141.7 Å²	141.7	76%	0.762	75%	0.751	S	S	*	*			trans	-55.8	97.3	161.2	-64.3	175.8	161	0	0	109
395	H	23	Very low	21.6	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.815	76%	0.757	S	S	*	*			trans	-126.3	88.2	152.1	-85	-46.4	0	0	0	109.3	N393 H397	N393-H395 PolarHBondContact O-N 3.3Å; H395-H397 PolarHBondContact O-N 2.7Å; H395-H397 VanDerWaalsContact O-N 3.07Å
396	N	20.6	Very low	21.8	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	76%	0.759	S	S	*	*			trans	-49.6	104	160.3	-74.2	-38.7	0	0	0	110.1
397	H	22.6	Very low	21.6	Very low	173 Å²	173	142.8 Å²	142.8	80%	0.801	76%	0.76	S	S	*	*			trans	-119.1	86.9	151.2	-89.5	-57.9	0	0	0	109	H395 V399	H395-H397 PolarHBondContact O-N 2.7Å; H395-H397 VanDerWaalsContact O-N 3.07Å; H397-V399 PolarHBondContact O-N 2.74Å; H397-V399 VanDerWaalsContact O-N 3.17Å
398	N	20.3	Very low	21.8	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	76%	0.762	S	S	*	*			trans	-56.8	109.2	161.6	-80.9	-28.6	0	0	0	109.2
399	V	24.1	Very low	21.8	Very low	115 Å²	115	146 Å²	146	70%	0.697	77%	0.768	S	S	*	*			trans	-119.5	78	156	-174.2	0	0	0	0	107.3	H397 N401	H397-V399 PolarHBondContact O-N 2.74Å; H397-V399 VanDerWaalsContact O-N 3.17Å; V399-N401 PolarHBondContact O-N 3Å
400	N	19.4	Very low	22.7	Very low	136 Å²	136	145.5 Å²	145.5	73%	0.727	76%	0.761	S	S	*	*			trans	-68.9	100.5	159.2	-83.2	-20.9	0	0	0	107.7
401	N	24.3	Very low	22.9	Very low	141 Å²	141	145.1 Å²	145.1	75%	0.754	76%	0.76	S	S	*	*			trans	-111.2	99.6	163	-86.1	-11.9	0	0	0	109.9	V399 I403	V399-N401 PolarHBondContact O-N 3Å; N401-I403 PolarHBondContact O-N 3.39Å
402	H	22.6	Very low	23.3	Very low	166 Å²	166	147.2 Å²	147.2	77%	0.769	76%	0.763	S	S	*	*			trans	-27.4	116.1	165.8	-76.6	-91.4	0	0	0	115.4	S404	H402-S404 VanDerWaalsContact C-N 3.3Å; H402-S404 PolarHBondContact O-N 2.78Å
403	I	22.3	Very low	24	Very low	175 Å²	175	143.5 Å²	143.5	90%	0.897	75%	0.751	S	S	*	*			trans	-81.1	85.2	151.4	-60.5	171.6	0	0	0	106.1	N401	N401-I403 PolarHBondContact O-N 3.39Å
404	S	20.7	Very low	24.4	Very low	83 Å²	83	145.2 Å²	145.2	58%	0.58	75%	0.754	S	S	*	*			trans	-94.4	107.6	170.1	54.1	0	0	0	0	110.2	H402	H402-S404 VanDerWaalsContact C-N 3.3Å; H402-S404 PolarHBondContact O-N 2.78Å
405	S	19.9	Very low	25	Very low	99 Å²	99	146.4 Å²	146.4	69%	0.692	76%	0.757	S	S	*	*			trans	-0.1	114.5	144.8	45.2	0	0	0	0	117.2
406	I	24.6	Very low	25.3	Very low	158 Å²	158	144.9 Å²	144.9	81%	0.81	75%	0.748	S	S	*	*			trans	-105.3	102.7	159.3	-63.8	176.1	0	0	0	108.2	T408	I406-T408 HydrophobicContact CG2-CG2 4.32Å
407	H	19.8	Very low	25.8	Very low	181 Å²	181	141.4 Å²	141.4	84%	0.838	73%	0.732	S	S	*	*			trans	-78.4	124.4	161	-84.8	-84.4	0	0	0	109.3
408	T	25	Very low	26.5	Very low	131 Å²	131	138.3 Å²	138.3	80%	0.804	72%	0.721	S	S	*	*			trans	-141.1	139.7	159	46.5	0	0	0	0	111.4	I406	I406-T408 HydrophobicContact CG2-CG2 4.32Å
409	K	23.5	Very low	27.6	Very low	203 Å²	203	136.9 Å²	136.9	88%	0.883	71%	0.708	S	S	*	*			trans	-62.1	162.8	-161.1	-72.3	170.4	171.3	175.9	0	116.8
410	P	37.4	Very low	28.2	Very low	94 Å²	94	134.9 Å²	134.9	61%	0.61	70%	0.696	S	S	*	*			trans	-98.5	114.4	-176.9	34.1	-21.6	0	0	0	111.3	I413	P410-I413 HydrophobicContact CB-CD1 4.39Å
411	D	24.9	Very low	29	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	69%	0.69	S	S	*	*			trans	-165.8	100.6	155.9	-87.1	-34.3	0	0	0	107.1
412	I	31.7	Very low	30.4	Very low	135 Å²	135	130.8 Å²	130.8	69%	0.692	67%	0.672	S	S	*	*			trans	154.4	73.4	167.3	-72.9	147.9	0	0	0	104.4
413	I	34.5	Very low	32.2	Very low	110 Å²	110	127.8 Å²	127.8	56%	0.564	66%	0.658	S	S	*	*			trans	-101.6	-12.2	-169	-71	177.7	0	0	0	114.1	P410 T417	P410-I413 HydrophobicContact CB-CD1 4.39Å; I413-T417 HydrophobicContact CG2-CG2 3.94Å; I413-T417 WeakPolarHBondContact O-CG2 3.46Å; I413-T417 PolarHBondContact O-OG1 2.81Å
414	E	31.4	Very low	34.2	Very low	179 Å²	179	123.4 Å²	123.4	84%	0.836	64%	0.639	S	S	*	*	H	α-helix	trans	-84.6	-31.4	-178.2	-76.7	-170.5	154.8	0	0	115.7	T417	E414-T417 PolarHBondContact O-OG1 3.08Å
415	K	31.8	Very low	36.4	Very low	189 Å²	189	122.8 Å²	122.8	82%	0.822	63%	0.632	S	S	*	*	H	α-helix	trans	-86.6	-23.9	177.9	-76.6	-174.3	177.5	-179.5	0	113.9
416	K	30.7	Very low	38.8	Very low	144 Å²	144	119.9 Å²	119.9	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-79.5	-32.5	178.6	-85.6	-176.8	174.8	179.8	0	113.2	N418 K419 V420	K416-N418 PolarHBondContact O-N 3.15Å; K416-K419 PolarHBondContact O-N 3.26Å; K416-V420 VanDerWaalsContact O-CB 3.27Å; K416-V420 WeakPolarHBondContact O-CB 3.36Å; K416-V420 WeakPolarHBondContact O-CG2 3.43Å; K416-V420 PolarHBondContact O-N 3.16Å
417	T	30.6	Very low	41.2	Very low	65 Å²	65	115.9 Å²	115.9	40%	0.399	59%	0.587	S	S	.	*	H	α-helix	trans	-61.5	-42.7	-175.5	46.2	0	0	0	0	113	I413 E414 M421	I413-T417 HydrophobicContact CG2-CG2 3.94Å; I413-T417 WeakPolarHBondContact O-CG2 3.46Å; I413-T417 PolarHBondContact O-OG1 2.81Å; E414-T417 PolarHBondContact O-OG1 3.08Å; T417-M421 VanDerWaalsContact O-CB 3.25Å; T417-M421 WeakPolarHBondContact O-CB 3.31Å; T417-M421 WeakPolarHBondContact O-CG 3.16Å; T417-M421 PolarHBondContact O-N 2.6Å
418	N	37	Very low	43.9	Very low	109 Å²	109	116.3 Å²	116.3	58%	0.583	58%	0.582	S	S	*	*	H	α-helix	trans	-70.4	-39.6	177.2	-76.6	-18.8	0	0	0	113	K416 M421 N422	K416-N418 PolarHBondContact O-N 3.15Å; N418-M421 PolarHBondContact O-N 3.36Å; N418-N422 WeakPolarHBondContact O-CB 3.23Å; N418-N422 PolarHBondContact O-N 2.99Å
419	K	42.6	Very low	46.4	Very low	107 Å²	107	113 Å²	113	47%	0.465	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-45.2	177.3	-151.8	177.9	-176.4	-173.1	0	110.7	K416 N422 E423 T1089	K416-K419 PolarHBondContact O-N 3.26Å; K419-N422 PolarHBondContact O-N 3.36Å; K419-E423 WeakPolarHBondContact O-CB 3.37Å; K419-E423 PolarHBondContact O-N 2.98Å; K419-T1089 PolarHBondContact NZ-O 3.28Å; K419-T1089 PolarHBondContact NZ-OXT 2.94Å; K419-T1089 VanDerWaalsContact NZ-OXT 3.08Å
420	V	38.5	Very low	49.2	Very low	72 Å²	72	103.7 Å²	103.7	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-41.5	176.3	174.6	0	0	0	0	111.6	K416 N422 E423 V424	K416-V420 VanDerWaalsContact O-CB 3.27Å; K416-V420 WeakPolarHBondContact O-CB 3.36Å; K416-V420 WeakPolarHBondContact O-CG2 3.43Å; K416-V420 PolarHBondContact O-N 3.16Å; V420-N422 PolarHBondContact O-N 3.46Å; V420-E423 PolarHBondContact O-N 3.17Å; V420-V424 HydrophobicContact CG1-CG2 4.23Å; V420-V424 WeakPolarHBondContact O-CB 3.34Å; V420-V424 WeakPolarHBondContact O-CG2 3.34Å; V420-V424 PolarHBondContact O-N 2.96Å
421	M	34.1	Very low	51.3	Low	120 Å²	120	103 Å²	103	59%	0.591	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-37.7	178.5	-76	-71	-78.7	0	0	112.7	T417 N418 T425	T417-M421 VanDerWaalsContact O-CB 3.25Å; T417-M421 WeakPolarHBondContact O-CB 3.31Å; T417-M421 WeakPolarHBondContact O-CG 3.16Å; T417-M421 PolarHBondContact O-N 2.6Å; N418-M421 PolarHBondContact O-N 3.36Å; M421-T425 WeakPolarHBondContact O-CB 3.25Å; M421-T425 PolarHBondContact O-N 2.67Å; M421-T425 PolarHBondContact O-OG1 3.49Å
422	N	54.5	Low	54.2	Low	71 Å²	71	99.1 Å²	99.1	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-68.9	-42.9	174.7	-79.3	-5.5	0	0	0	111.6	N418 K419 V420 T425 F426 D560	N418-N422 WeakPolarHBondContact O-CB 3.23Å; N418-N422 PolarHBondContact O-N 2.99Å; K419-N422 PolarHBondContact O-N 3.36Å; V420-N422 PolarHBondContact O-N 3.46Å; N422-T425 PolarHBondContact O-N 2.9Å; N422-F426 VanDerWaalsContact O-CB 3.24Å; N422-F426 WeakPolarHBondContact O-CB 3.49Å; N422-F426 PolarHBondContact O-N 3.4Å; N422-D560 PolarHBondContact ND2-OD2 3.05Å
423	E	59.9	Low	56.6	Low	103 Å²	103	92.9 Å²	92.9	48%	0.481	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-43	176.4	-166.6	-179.9	174.4	0	0	111.7	K419 V420 T425 F426 N427	K419-E423 WeakPolarHBondContact O-CB 3.37Å; K419-E423 PolarHBondContact O-N 2.98Å; V420-E423 PolarHBondContact O-N 3.17Å; E423-T425 PolarHBondContact O-N 3.44Å; E423-F426 PolarHBondContact O-N 3.48Å; E423-N427 VanDerWaalsContact O-CB 3.26Å; E423-N427 WeakPolarHBondContact O-CB 3.27Å; E423-N427 PolarHBondContact O-N 2.9Å; E423-N427 PolarHBondContact O-ND2 3.06Å
424	V	64.4	Low	59.1	Low	83 Å²	83	92.4 Å²	92.4	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-42.3	174.4	171	0	0	0	0	111.3	V420 R428	V420-V424 HydrophobicContact CG1-CG2 4.23Å; V420-V424 WeakPolarHBondContact O-CB 3.34Å; V420-V424 WeakPolarHBondContact O-CG2 3.34Å; V420-V424 PolarHBondContact O-N 2.96Å; V424-R428 VanDerWaalsContact O-CB 3.25Å; V424-R428 WeakPolarHBondContact O-CB 3.42Å; V424-R428 PolarHBondContact O-N 2.91Å
425	T	68.3	Low	61.7	Low	70 Å²	70	90.1 Å²	90.1	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-67.7	-40.6	178.4	-56.9	0	0	0	0	111.4	M421 N422 E423 R428 K429	M421-T425 WeakPolarHBondContact O-CB 3.25Å; M421-T425 PolarHBondContact O-N 2.67Å; M421-T425 PolarHBondContact O-OG1 3.49Å; N422-T425 PolarHBondContact O-N 2.9Å; E423-T425 PolarHBondContact O-N 3.44Å; T425-R428 PolarHBondContact O-N 3.44Å; T425-K429 HydrophobicContact CG2-CD 4.46Å; T425-K429 WeakPolarHBondContact O-CG 3.32Å; T425-K429 PolarHBondContact O-N 3.19Å
426	F	68.9	Low	64.2	Low	39 Å²	39	81.1 Å²	81.1	17%	0.171	39%	0.393	C	S	.	.	H	α-helix	trans	-63.7	-51.1	175.7	-179.4	-98.2	0	0	0	111.4	N422 E423 R428 K429 M430 L483 F1088	N422-F426 VanDerWaalsContact O-CB 3.24Å; N422-F426 WeakPolarHBondContact O-CB 3.49Å; N422-F426 PolarHBondContact O-N 3.4Å; E423-F426 PolarHBondContact O-N 3.48Å; F426-R428 VanDerWaalsContact C-N 3.27Å; F426-R428 PolarHBondContact O-N 3.5Å; F426-K429 CarbonylContact O-C 3.55Å; F426-K429 WeakPolarHBondContact O-CA 3.27Å; F426-K429 WeakPolarHBondContact O-CB 3.32Å; F426-K429 PolarHBondContact O-N 2.9Å; F426-M430 HydrophobicContact CE1-CE 4.15Å; F426-M430 HydrophobicContact CE2-CE 4.22Å; F426-M430 HydrophobicContact CZ-CE 3.59Å; F426-M430 WeakPolarHBondContact O-CB 3.39Å; F426-M430 PolarHBondContact O-N 3.17Å; F426-L483 HydrophobicContact CE2-CD1 3.52Å; F426-L483 HydrophobicContact CZ-CD1 3.82Å; F426-F1088 HydrophobicContact CD2-CZ 4.22Å; F426-F1088 HydrophobicContact CE2-CZ 4.49Å; F426-F1088 HydrophobicContact CG-CZ 4.4Å
427	N	76	Confident	66.9	Low	73 Å²	73	80 Å²	80	39%	0.39	39%	0.388	S	S	.	.	H	α-helix	trans	-59.6	-38.6	176.2	-73.8	-26.3	0	0	0	111.6	E423 M430 N431	E423-N427 VanDerWaalsContact O-CB 3.26Å; E423-N427 WeakPolarHBondContact O-CB 3.27Å; E423-N427 PolarHBondContact O-N 2.9Å; E423-N427 PolarHBondContact O-ND2 3.06Å; N427-M430 PolarHBondContact O-N 3.42Å; N427-N431 VanDerWaalsContact O-CB 3.31Å; N427-N431 WeakPolarHBondContact O-CB 3.29Å; N427-N431 PolarHBondContact O-N 3.06Å; N427-N431 PolarHBondContact O-ND2 3.24Å
428	R	76.8	Confident	69.5	Low	190 Å²	190	77 Å²	77	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-42.9	174.1	-172.5	177.1	-175.8	166.4	2.8	112	V424 T425 F426 L432	V424-R428 VanDerWaalsContact O-CB 3.25Å; V424-R428 WeakPolarHBondContact O-CB 3.42Å; V424-R428 PolarHBondContact O-N 2.91Å; T425-R428 PolarHBondContact O-N 3.44Å; F426-R428 VanDerWaalsContact C-N 3.27Å; F426-R428 PolarHBondContact O-N 3.5Å; R428-L432 WeakPolarHBondContact O-CG 3.44Å; R428-L432 PolarHBondContact O-N 3.24Å
429	K	76.8	Confident	71.5	Confident	62 Å²	62	72.2 Å²	72.2	27%	0.27	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-46.3	174.3	-76.7	168.6	161.9	-173.2	0	110.7	T425 F426 N431 L432 L433 Y556	T425-K429 HydrophobicContact CG2-CD 4.46Å; T425-K429 WeakPolarHBondContact O-CG 3.32Å; T425-K429 PolarHBondContact O-N 3.19Å; F426-K429 CarbonylContact O-C 3.55Å; F426-K429 WeakPolarHBondContact O-CA 3.27Å; F426-K429 WeakPolarHBondContact O-CB 3.32Å; F426-K429 PolarHBondContact O-N 2.9Å; K429-N431 PolarHBondContact O-N 3.33Å; K429-L432 WeakPolarHBondContact O-CB 3.05Å; K429-L432 PolarHBondContact O-N 2.8Å; K429-L433 PolarHBondContact O-N 2.84Å; K429-L433 VanDerWaalsContact O-N 3.11Å; K429-Y556 HydrophobicContact CB-CD1 3.99Å; K429-Y556 HydrophobicContact CB-CE1 4.33Å; K429-Y556 HydrophobicContact CD-CD1 3.9Å; K429-Y556 HydrophobicContact CG-CD1 3.96Å; K429-Y556 HydrophobicContact CG-CE1 4.39Å; K429-Y556 PolarHBondContact NZ-O 2.98Å
430	M	81.6	Confident	73.6	Confident	7 Å²	7	67.1 Å²	67.1	3%	0.034	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-39	-179.4	-162.5	58	81.1	0	0	112.6	F426 N427 L432 L433 R434 V476 I479 I480	F426-M430 HydrophobicContact CE1-CE 4.15Å; F426-M430 HydrophobicContact CE2-CE 4.22Å; F426-M430 HydrophobicContact CZ-CE 3.59Å; F426-M430 WeakPolarHBondContact O-CB 3.39Å; F426-M430 PolarHBondContact O-N 3.17Å; N427-M430 PolarHBondContact O-N 3.42Å; M430-L432 VanDerWaalsContact C-N 3.25Å; M430-L432 PolarHBondContact O-N 3.35Å; M430-L433 WeakPolarHBondContact O-CB 3.22Å; M430-L433 PolarHBondContact O-N 3.29Å; M430-L433 VanDerWaalsContact O-N 3.11Å; M430-L433 HydrophobicContact SD-CB 4.35Å; M430-L433 HydrophobicContact SD-CD1 3.82Å; M430-R434 PolarHBondContact O-N 3.33Å; M430-V476 HydrophobicContact CE-CG1 4.37Å; M430-V476 HydrophobicContact CG-CG1 3.57Å; M430-V476 HydrophobicContact CG-CG2 4.46Å; M430-V476 HydrophobicContact SD-CB 3.86Å; M430-V476 HydrophobicContact SD-CG1 3.26Å; M430-V476 WeakPolarHBondContact SD-CG1 3.49Å; M430-V476 HydrophobicContact SD-CG2 3.61Å; M430-I479 HydrophobicContact CE-CG2 4.15Å; M430-I480 HydrophobicContact CE-CD1 4.03Å; M430-I480 HydrophobicContact CE-CG1 3.43Å; M430-I480 VanDerWaalsContact CE-CG1 3.43Å; M430-I480 HydrophobicContact CG-CD1 4.39Å; M430-I480 HydrophobicContact SD-CG1 4.4Å
431	N	83.4	Confident	76	Confident	81 Å²	81	64.5 Å²	64.5	43%	0.433	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-25.1	173.4	-73.3	-25.8	0	0	0	113.4	N427 K429 K435	N427-N431 VanDerWaalsContact O-CB 3.31Å; N427-N431 WeakPolarHBondContact O-CB 3.29Å; N427-N431 PolarHBondContact O-N 3.06Å; N427-N431 PolarHBondContact O-ND2 3.24Å; K429-N431 PolarHBondContact O-N 3.33Å; N431-K435 WeakPolarHBondContact O-CG 3.16Å; N431-K435 PolarHBondContact O-N 3.18Å
432	L	83.8	Confident	78.3	Confident	73 Å²	73	65.3 Å²	65.3	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-74	-39	170.8	-67	168.9	0	0	0	110.9	R428 K429 M430 K435 K437	R428-L432 WeakPolarHBondContact O-CG 3.44Å; R428-L432 PolarHBondContact O-N 3.24Å; K429-L432 WeakPolarHBondContact O-CB 3.05Å; K429-L432 PolarHBondContact O-N 2.8Å; M430-L432 VanDerWaalsContact C-N 3.25Å; M430-L432 PolarHBondContact O-N 3.35Å; L432-K435 PolarHBondContact O-N 3.47Å; L432-K437 HydrophobicContact CB-CB 4.39Å; L432-K437 HydrophobicContact CD2-CD 3.88Å; L432-K437 WeakPolarHBondContact O-CB 3.45Å; L432-K437 PolarHBondContact O-N 3.03Å
433	L	83.4	Confident	79.7	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-44.9	175.1	-66.8	174.4	0	0	0	111.8	K429 M430 K435 G436 Y438 V476 I479 I552 Y556	K429-L433 PolarHBondContact O-N 2.84Å; K429-L433 VanDerWaalsContact O-N 3.11Å; M430-L433 WeakPolarHBondContact O-CB 3.22Å; M430-L433 PolarHBondContact O-N 3.29Å; M430-L433 VanDerWaalsContact O-N 3.11Å; M430-L433 HydrophobicContact SD-CB 4.35Å; M430-L433 HydrophobicContact SD-CD1 3.82Å; L433-K435 PolarHBondContact O-N 3.45Å; L433-K435 VanDerWaalsContact O-N 3.14Å; L433-G436 WeakPolarHBondContact O-CA 3.48Å; L433-G436 PolarHBondContact O-N 3.02Å; L433-Y438 HydrophobicContact CB-CE1 4.3Å; L433-Y438 HydrophobicContact CD2-CD1 3.47Å; L433-Y438 VanDerWaalsContact CD2-CD1 3.47Å; L433-Y438 HydrophobicContact CD2-CE1 3.63Å; L433-V476 HydrophobicContact CB-CG2 3.64Å; L433-I479 HydrophobicContact CD1-CD1 4.14Å; L433-I552 HydrophobicContact CD2-CD1 3.83Å; L433-Y556 HydrophobicContact CD1-CE2 4.31Å; L433-Y556 HydrophobicContact CD2-CE1 4.41Å; L433-Y556 HydrophobicContact CD2-CE2 3.83Å; L433-Y556 VanDerWaalsContact CD2-OH 3.29Å; L433-Y556 WeakPolarHBondContact CD2-OH 3.21Å; L433-Y556 HydrophobicContact CG-CE1 4.5Å
434	R	86.4	Confident	81	Confident	99 Å²	99	57.7 Å²	57.7	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-57.2	-29	173.7	-71.5	-172.7	172.7	142.3	-3	113.3	M430 G436 V476	M430-R434 PolarHBondContact O-N 3.33Å; R434-G436 PolarHBondContact O-N 3.33Å; R434-V476 HydrophobicContact CG-CB 4.21Å; R434-V476 HydrophobicContact CG-CG1 4.08Å; R434-V476 HydrophobicContact CG-CG2 3.79Å
435	K	86.1	Confident	82	Confident	131 Å²	131	55.5 Å²	55.5	57%	0.57	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	8.5	173.8	-67.5	-179.7	-178.8	-168.6	0	113.8	N431 L432 L433 K437 K455	N431-K435 WeakPolarHBondContact O-CG 3.16Å; N431-K435 PolarHBondContact O-N 3.18Å; L432-K435 PolarHBondContact O-N 3.47Å; L433-K435 PolarHBondContact O-N 3.45Å; L433-K435 VanDerWaalsContact O-N 3.14Å; K435-K437 VanDerWaalsContact C-N 3.25Å; K435-K437 HydrophobicContact CB-CG 4.23Å; K435-K437 PolarHBondContact O-N 2.87Å; K435-K455 PolarHBondContact O-NZ 2.87Å
436	G	85.4	Confident	82.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	22.7	-176.3	0	0	0	0	0	113.8	L433 R434 Y438 K455	L433-G436 WeakPolarHBondContact O-CA 3.48Å; L433-G436 PolarHBondContact O-N 3.02Å; R434-G436 PolarHBondContact O-N 3.33Å; G436-Y438 PolarHBondContact O-N 2.74Å; G436-K455 WeakPolarHBondContact O-CE 3.42Å
437	K	86	Confident	83.5	Confident	121 Å²	121	59.7 Å²	59.7	53%	0.526	27%	0.269	S	S	.	.			trans	-86.1	63.4	-179.4	-62.3	-173.2	176.2	-171.9	0	111.4	L432 K435	L432-K437 HydrophobicContact CB-CB 4.39Å; L432-K437 HydrophobicContact CD2-CD 3.88Å; L432-K437 WeakPolarHBondContact O-CB 3.45Å; L432-K437 PolarHBondContact O-N 3.03Å; K435-K437 VanDerWaalsContact C-N 3.25Å; K435-K437 HydrophobicContact CB-CG 4.23Å; K435-K437 PolarHBondContact O-N 2.87Å
438	Y	85.4	Confident	84.1	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.012	25%	0.253	C	S	.	.			trans	-77.3	160	176.7	-50.9	-66.1	0	0	0	112.3	L433 G436 F440 I441 T475 Y511 I552	L433-Y438 HydrophobicContact CB-CE1 4.3Å; L433-Y438 HydrophobicContact CD2-CD1 3.47Å; L433-Y438 VanDerWaalsContact CD2-CD1 3.47Å; L433-Y438 HydrophobicContact CD2-CE1 3.63Å; G436-Y438 PolarHBondContact O-N 2.74Å; Y438-F440 HydrophobicContact CD1-CE1 4.46Å; Y438-F440 AromaticContact CD2-CE1 3.74Å; Y438-F440 HydrophobicContact CD2-CE1 3.74Å; Y438-F440 AromaticContact CD2-CZ 3.72Å; Y438-F440 HydrophobicContact CD2-CZ 3.72Å; Y438-F440 HydrophobicContact CG-CD1 4.34Å; Y438-F440 AromaticContact CG-CE1 3.6Å; Y438-F440 HydrophobicContact CG-CE1 3.6Å; Y438-F440 HydrophobicContact CG-CZ 4.08Å; Y438-I441 HydrophobicContact CD2-CG1 4.03Å; Y438-I441 HydrophobicContact CG-CG1 4.5Å; Y438-T475 HydrophobicContact CE1-CG2 4.37Å; Y438-Y511 AromaticContact CD2-CD1 3.75Å; Y438-Y511 HydrophobicContact CD2-CD1 3.75Å; Y438-Y511 AromaticContact CD2-CE1 3.83Å; Y438-Y511 HydrophobicContact CD2-CE1 3.83Å; Y438-Y511 AromaticContact CE2-CD1 3.56Å; Y438-Y511 HydrophobicContact CE2-CD1 3.56Å; Y438-Y511 AromaticContact CE2-CE1 3.74Å; Y438-Y511 HydrophobicContact CE2-CE1 3.74Å; Y438-Y511 HydrophobicContact CE2-CG 4.25Å; Y438-I552 HydrophobicContact CD1-CD1 4.26Å
439	H	80.3	Confident	84.5	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-46.5	177.6	179.5	82.4	0	0	0	111.5	I441 K442 W555 G696 E701	H439-I441 PolarHBondContact O-N 3.47Å; H439-I441 VanDerWaalsContact O-N 3.17Å; H439-K442 WeakPolarHBondContact O-CB 3.32Å; H439-K442 PolarHBondContact O-N 3.5Å; H439-W555 HydrophobicContact CB-CD2 4.13Å; H439-W555 HydrophobicContact CB-CE3 4.46Å; H439-W555 HydrophobicContact CB-CG 4.49Å; H439-W555 AromaticContact CD2-CE2 3.77Å; H439-W555 AromaticContact CD2-CH2 3.94Å; H439-W555 AromaticContact CD2-CZ2 3.43Å; H439-W555 VanDerWaalsContact CD2-CZ2 3.43Å; H439-W555 WeakPolarHBondContact CD2-CZ2 3.47Å; H439-W555 AromaticContact CE1-CH2 2.99Å; H439-W555 WeakPolarHBondContact CE1-CH2 3.44Å; H439-W555 AromaticContact CE1-CZ2 3.33Å; H439-W555 WeakPolarHBondContact CE1-CZ2 3.23Å; H439-W555 AromaticContact CE1-CZ3 3.6Å; H439-W555 AromaticContact CG-CD2 3.94Å; H439-W555 AromaticContact CG-CE2 3.63Å; H439-W555 AromaticContact CG-CH2 3.78Å; H439-W555 AromaticContact CG-CZ2 3.54Å; H439-W555 AromaticContact ND1-CE2 3.88Å; H439-W555 AromaticContact ND1-CE3 3.75Å; H439-W555 AromaticContact ND1-CH2 3.17Å; H439-W555 WeakPolarHBondContact ND1-CH2 3.47Å; H439-W555 AromaticContact ND1-CZ2 3.46Å; H439-W555 WeakPolarHBondContact ND1-CZ2 3.29Å; H439-W555 AromaticContact ND1-CZ3 3.31Å; H439-W555 VanDerWaalsContact ND1-CZ3 3.31Å; H439-W555 WeakPolarHBondContact ND1-CZ3 3.4Å; H439-W555 AromaticContact NE2-CH2 3.51Å; H439-W555 AromaticContact NE2-CZ2 3.33Å; H439-W555 VanDerWaalsContact NE2-CZ2 3.33Å; H439-W555 WeakPolarHBondContact NE2-CZ2 3.49Å; H439-G696 PolarHBondContact NE2-O 3.37Å; H439-E701 IonicContact CE1-OE2 2.8Å
440	F	86.1	Confident	85	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-30.1	-179.3	71.4	-97	0	0	0	112.9	Y438 K442 Q443 L444 M508 Y511 H512 I546 F549 L550	Y438-F440 HydrophobicContact CD1-CE1 4.46Å; Y438-F440 AromaticContact CD2-CE1 3.74Å; Y438-F440 HydrophobicContact CD2-CE1 3.74Å; Y438-F440 AromaticContact CD2-CZ 3.72Å; Y438-F440 HydrophobicContact CD2-CZ 3.72Å; Y438-F440 HydrophobicContact CG-CD1 4.34Å; Y438-F440 AromaticContact CG-CE1 3.6Å; Y438-F440 HydrophobicContact CG-CE1 3.6Å; Y438-F440 HydrophobicContact CG-CZ 4.08Å; F440-K442 PolarHBondContact O-N 3.07Å; F440-Q443 WeakPolarHBondContact O-CB 3.46Å; F440-Q443 PolarHBondContact O-N 3.31Å; F440-L444 PolarHBondContact O-N 3.21Å; F440-M508 HydrophobicContact CE1-CB 4.29Å; F440-M508 HydrophobicContact CE1-SD 4.49Å; F440-Y511 HydrophobicContact CZ-CD1 4.21Å; F440-H512 HydrophobicContact CE2-CB 3.85Å; F440-H512 HydrophobicContact CZ-CB 4.5Å; F440-I546 HydrophobicContact CB-CG2 4Å; F440-I546 HydrophobicContact CD2-CG2 4.32Å; F440-F549 HydrophobicContact CB-CB 3.97Å; F440-L550 HydrophobicContact CD1-CD2 3.89Å; F440-L550 HydrophobicContact CD2-CD2 4.06Å; F440-L550 HydrophobicContact CE1-CD2 3.79Å; F440-L550 HydrophobicContact CE2-CD2 3.97Å; F440-L550 HydrophobicContact CG-CD2 4.03Å; F440-L550 HydrophobicContact CZ-CD2 3.83Å
441	I	87.6	Confident	85.5	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-31.3	174.9	-65	-66.8	0	0	0	112.2	Y438 H439 L444 G445 M451 K455 Y511 I515	Y438-I441 HydrophobicContact CD2-CG1 4.03Å; Y438-I441 HydrophobicContact CG-CG1 4.5Å; H439-I441 PolarHBondContact O-N 3.47Å; H439-I441 VanDerWaalsContact O-N 3.17Å; I441-L444 HydrophobicContact CD1-CD2 4.42Å; I441-L444 PolarHBondContact O-N 3.49Å; I441-G445 PolarHBondContact O-N 2.83Å; I441-M451 HydrophobicContact CD1-CE 4.17Å; I441-M451 HydrophobicContact CG2-CE 3.76Å; I441-K455 HydrophobicContact CG2-CD 4.08Å; I441-Y511 HydrophobicContact CD1-CD1 4.01Å; I441-Y511 HydrophobicContact CD1-CE1 3.69Å; I441-Y511 HydrophobicContact CG1-CE1 4.13Å; I441-I515 HydrophobicContact CD1-CD1 3.35Å
442	K	84.2	Confident	85.8	Confident	137 Å²	137	59 Å²	59	60%	0.596	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-37.8	174	-64.2	179.9	179.7	175.6	0	111.9	H439 F440 R446	H439-K442 WeakPolarHBondContact O-CB 3.32Å; H439-K442 PolarHBondContact O-N 3.5Å; F440-K442 PolarHBondContact O-N 3.07Å; K442-R446 WeakPolarHBondContact O-CG 3.4Å; K442-R446 PolarHBondContact O-N 3.47Å
443	Q	83	Confident	86.3	Confident	14 Å²	14	60 Å²	60	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-42.1	176.2	-59.7	-63.9	-12.4	0	0	110.2	F440 G445 R446 Y447 I546 F549 G696	F440-Q443 WeakPolarHBondContact O-CB 3.46Å; F440-Q443 PolarHBondContact O-N 3.31Å; Q443-G445 VanDerWaalsContact C-N 3.34Å; Q443-G445 PolarHBondContact O-N 3.06Å; Q443-R446 PolarHBondContact O-N 2.85Å; Q443-Y447 PolarHBondContact O-N 3.43Å; Q443-I546 HydrophobicContact CB-CD1 4.48Å; Q443-I546 HydrophobicContact CB-CG1 4.36Å; Q443-F549 HydrophobicContact CB-CD2 4.46Å; Q443-F549 HydrophobicContact CG-CD2 4.15Å; Q443-F549 HydrophobicContact CG-CE2 4.38Å; Q443-G696 PolarHBondContact NE2-O 3.13Å
444	L	86.7	Confident	86.7	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-43.5	174.9	-168.6	60	0	0	0	111.8	F440 I441 R446 Y447 L448 M451 I515 L543 I546	F440-L444 PolarHBondContact O-N 3.21Å; I441-L444 HydrophobicContact CD1-CD2 4.42Å; I441-L444 PolarHBondContact O-N 3.49Å; L444-R446 VanDerWaalsContact C-N 3.28Å; L444-R446 PolarHBondContact O-N 3.32Å; L444-Y447 PolarHBondContact O-N 3.06Å; L444-L448 HydrophobicContact CD1-CD1 3.56Å; L444-L448 HydrophobicContact CD1-CG 3.87Å; L444-L448 HydrophobicContact CD2-CD1 4.26Å; L444-L448 HydrophobicContact CG-CD1 3.79Å; L444-L448 HydrophobicContact CG-CG 4.3Å; L444-L448 PolarHBondContact O-N 2.8Å; L444-M451 HydrophobicContact CB-CE 4.28Å; L444-M451 HydrophobicContact CD2-CE 3.84Å; L444-M451 HydrophobicContact CD2-SD 4.26Å; L444-M451 HydrophobicContact CG-CE 4.09Å; L444-M451 HydrophobicContact CG-SD 4.16Å; L444-I515 HydrophobicContact CD2-CB 4.15Å; L444-I515 HydrophobicContact CD2-CD1 4.42Å; L444-I515 HydrophobicContact CD2-CG2 3.65Å; L444-L543 HydrophobicContact CD1-CD2 3.49Å; L444-L543 VanDerWaalsContact CD1-CD2 3.49Å; L444-I546 HydrophobicContact CB-CD1 4.26Å; L444-I546 HydrophobicContact CD1-CD1 3.86Å
445	G	85.6	Confident	87.1	Confident	37 Å²	37	56.7 Å²	56.7	38%	0.381	28%	0.275	S	S	.	.	H	α-helix	trans	-71.1	-13.8	177.4	0	0	0	0	0	116.2	I441 Q443	I441-G445 PolarHBondContact O-N 2.83Å; Q443-G445 VanDerWaalsContact C-N 3.34Å; Q443-G445 PolarHBondContact O-N 3.06Å
446	R	83.3	Confident	87.5	Confident	149 Å²	149	55.8 Å²	55.8	56%	0.562	27%	0.273	S	S	*	.	H	α-helix	trans	-79.2	-22.7	167.9	-72.7	173.5	176.5	157.9	1.2	112	K442 Q443 L444 E701	K442-R446 WeakPolarHBondContact O-CG 3.4Å; K442-R446 PolarHBondContact O-N 3.47Å; Q443-R446 PolarHBondContact O-N 2.85Å; L444-R446 VanDerWaalsContact C-N 3.28Å; L444-R446 PolarHBondContact O-N 3.32Å; R446-E701 IonicContact CZ-OE1 2.65Å; R446-E701 IonicContact NH1-OE1 2.86Å; R446-E701 IonicContact NH2-OE1 3.38Å; R446-E701 PolarHBondContact NH2-OE1 3.33Å
447	Y	85.7	Confident	87.9	Confident	47 Å²	47	58.1 Å²	58.1	18%	0.184	28%	0.283	C	S	.	.	H	α-helix	trans	-101.1	-47.9	-174.2	-177.8	-101.2	0	0	0	112.7	Q443 L444 Q540 R542 L543 Q1041	Q443-Y447 PolarHBondContact O-N 3.43Å; L444-Y447 PolarHBondContact O-N 3.06Å; Y447-Q540 HydrophobicContact CE1-CB 4.26Å; Y447-R542 HydrophobicContact CD1-CB 4.22Å; Y447-R542 HydrophobicContact CD1-CG 4.21Å; Y447-R542 HydrophobicContact CD2-CB 3.82Å; Y447-R542 HydrophobicContact CD2-CG 3.57Å; Y447-R542 HydrophobicContact CE1-CB 3.97Å; Y447-R542 HydrophobicContact CE1-CG 4.46Å; Y447-R542 HydrophobicContact CE2-CB 3.53Å; Y447-R542 HydrophobicContact CE2-CG 3.84Å; Y447-R542 HydrophobicContact CG-CB 4.15Å; Y447-R542 HydrophobicContact CG-CG 3.76Å; Y447-L543 HydrophobicContact CD1-CD2 3.9Å; Y447-L543 HydrophobicContact CE1-CD2 3.97Å; Y447-L543 HydrophobicContact CE1-CG 4.17Å; Y447-Q1041 PolarHBondContact OH-NE2 2.92Å
448	L	87.7	Confident	88.4	Confident	10 Å²	10	52.3 Å²	52.3	5%	0.052	26%	0.258	C	S	.	.	S	Bend	trans	-82.8	130.5	-177.8	-71	-178.6	0	0	0	112.5	L444 M451 I515 A519 L543	L444-L448 HydrophobicContact CD1-CD1 3.56Å; L444-L448 HydrophobicContact CD1-CG 3.87Å; L444-L448 HydrophobicContact CD2-CD1 4.26Å; L444-L448 HydrophobicContact CG-CD1 3.79Å; L444-L448 HydrophobicContact CG-CG 4.3Å; L444-L448 PolarHBondContact O-N 2.8Å; L448-M451 HydrophobicContact CD1-SD 4.45Å; L448-I515 HydrophobicContact CD1-CG2 4.35Å; L448-A519 HydrophobicContact CD1-CB 4.01Å; L448-A519 HydrophobicContact CD2-CB 4.38Å; L448-L543 HydrophobicContact CD1-CD2 4.32Å; L448-L543 HydrophobicContact CD2-CD2 4.11Å; L448-L543 HydrophobicContact CG-CD2 4.21Å
449	P	85.9	Confident	88.8	Confident	90 Å²	90	53 Å²	53	58%	0.584	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	152.3	171.3	31	-34.5	0	0	0	110.7	M451 I454	P449-M451 PolarHBondContact O-N 3.02Å; P449-I454 VanDerWaalsContact O-CD1 3.31Å; P449-I454 WeakPolarHBondContact O-CD1 2.99Å
450	F	87.9	Confident	89.5	Confident	163 Å²	163	56.3 Å²	56.3	72%	0.715	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	20.5	179.3	-51.2	-75.1	0	0	0	115.7	V452 Q453 I454	F450-V452 PolarHBondContact O-N 2.67Å; F450-Q453 PolarHBondContact O-N 2.88Å; F450-I454 HydrophobicContact CB-CD1 4.39Å; F450-I454 PolarHBondContact O-N 2.66Å; F450-I454 VanDerWaalsContact O-N 3.09Å
451	M	90.6	Very high	89.9	Confident	16 Å²	16	56.3 Å²	56.3	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-50	-37.8	-175.6	176.8	64.7	-179.1	0	0	114.5	I441 L444 L448 P449 Q453 I454 K455 I515	I441-M451 HydrophobicContact CD1-CE 4.17Å; I441-M451 HydrophobicContact CG2-CE 3.76Å; L444-M451 HydrophobicContact CB-CE 4.28Å; L444-M451 HydrophobicContact CD2-CE 3.84Å; L444-M451 HydrophobicContact CD2-SD 4.26Å; L444-M451 HydrophobicContact CG-CE 4.09Å; L444-M451 HydrophobicContact CG-SD 4.16Å; L448-M451 HydrophobicContact CD1-SD 4.45Å; P449-M451 PolarHBondContact O-N 3.02Å; M451-Q453 VanDerWaalsContact C-N 3.34Å; M451-Q453 PolarHBondContact O-N 3.2Å; M451-I454 PolarHBondContact O-N 3.11Å; M451-K455 HydrophobicContact CE-CB 4.17Å; M451-K455 WeakPolarHBondContact O-CB 3.05Å; M451-K455 PolarHBondContact O-N 3.19Å; M451-I515 HydrophobicContact CE-CD1 4.09Å; M451-I515 HydrophobicContact CE-CG2 3.88Å; M451-I515 HydrophobicContact SD-CG2 3.72Å
452	V	91.6	Very high	90.2	Very high	121 Å²	121	55.6 Å²	55.6	73%	0.733	28%	0.276	S	S	*	.	H	α-helix	trans	-60.5	-46.2	-179.3	179.6	0	0	0	0	110.8	F450 E456	F450-V452 PolarHBondContact O-N 2.67Å; V452-E456 WeakPolarHBondContact O-CB 2.86Å; V452-E456 PolarHBondContact O-N 3.39Å
453	Q	92.6	Very high	90.6	Very high	92 Å²	92	51.6 Å²	51.6	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-67.8	-48.1	177.6	-180	-175.9	-14.2	0	0	111	F450 M451 K455 E456 E457	F450-Q453 PolarHBondContact O-N 2.88Å; M451-Q453 VanDerWaalsContact C-N 3.34Å; M451-Q453 PolarHBondContact O-N 3.2Å; Q453-K455 VanDerWaalsContact C-N 3.28Å; Q453-K455 PolarHBondContact O-N 2.88Å; Q453-E456 PolarHBondContact O-N 3.05Å; Q453-E456 VanDerWaalsContact O-N 3.13Å; Q453-E457 WeakPolarHBondContact CG-OE1 2.96Å; Q453-E457 PolarHBondContact NE2-OE1 3.03Å; Q453-E457 WeakPolarHBondContact O-CG 3.28Å; Q453-E457 PolarHBondContact O-N 3.3Å
454	I	93.6	Very high	90.9	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-44.4	-179.2	-64.6	170	0	0	0	110.6	P449 F450 M451 V458 I515 N518 A519	P449-I454 VanDerWaalsContact O-CD1 3.31Å; P449-I454 WeakPolarHBondContact O-CD1 2.99Å; F450-I454 HydrophobicContact CB-CD1 4.39Å; F450-I454 PolarHBondContact O-N 2.66Å; F450-I454 VanDerWaalsContact O-N 3.09Å; M451-I454 PolarHBondContact O-N 3.11Å; I454-V458 WeakPolarHBondContact O-CG2 3.26Å; I454-V458 PolarHBondContact O-N 3.43Å; I454-V458 VanDerWaalsContact O-N 3.15Å; I454-I515 HydrophobicContact CG2-CG2 4.01Å; I454-N518 HydrophobicContact CG2-CB 3.84Å; I454-N518 PolarHBondContact O-ND2 3.25Å; I454-N518 VanDerWaalsContact O-ND2 3.09Å; I454-A519 HydrophobicContact CD1-CB 3.9Å; I454-A519 HydrophobicContact CG2-CB 4.29Å
455	K	94.6	Very high	91	Very high	29 Å²	29	51.1 Å²	51.1	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-43.5	177.1	-175	-168.1	177	-60	0	111.8	K435 G436 I441 M451 Q453 E457 V458 D459 Y511 I515	K435-K455 PolarHBondContact O-NZ 2.87Å; G436-K455 WeakPolarHBondContact O-CE 3.42Å; I441-K455 HydrophobicContact CG2-CD 4.08Å; M451-K455 HydrophobicContact CE-CB 4.17Å; M451-K455 WeakPolarHBondContact O-CB 3.05Å; M451-K455 PolarHBondContact O-N 3.19Å; Q453-K455 VanDerWaalsContact C-N 3.28Å; Q453-K455 PolarHBondContact O-N 2.88Å; K455-E457 VanDerWaalsContact C-N 3.32Å; K455-E457 PolarHBondContact O-N 2.83Å; K455-V458 PolarHBondContact O-N 3.05Å; K455-D459 IonicContact NZ-OD1 3.89Å; K455-D459 PolarHBondContact NZ-OD1 3.46Å; K455-D459 IonicContact NZ-OD2 2.7Å; K455-D459 PolarHBondContact NZ-OD2 3.44Å; K455-D459 WeakPolarHBondContact O-CB 3.46Å; K455-D459 VanDerWaalsContact O-CG 3.28Å; K455-D459 PolarHBondContact O-N 3.18Å; K455-Y511 VanDerWaalsContact CE-OH 3.24Å; K455-Y511 WeakPolarHBondContact CE-OH 3.18Å; K455-Y511 PolarHBondContact NZ-OH 2.97Å; K455-I515 HydrophobicContact CG-CD1 4.45Å
456	E	93.9	Very high	91.1	Very high	112 Å²	112	52 Å²	52	52%	0.523	26%	0.255	S	S	.	.	H	α-helix	trans	-61.5	-41.4	179.1	-178.2	175	-172.5	0	0	111.6	V452 Q453 D459 N460	V452-E456 WeakPolarHBondContact O-CB 2.86Å; V452-E456 PolarHBondContact O-N 3.39Å; Q453-E456 PolarHBondContact O-N 3.05Å; Q453-E456 VanDerWaalsContact O-N 3.13Å; E456-D459 PolarHBondContact O-N 3.25Å; E456-N460 WeakPolarHBondContact O-CB 3.5Å; E456-N460 PolarHBondContact O-N 3.32Å; E456-N460 PolarHBondContact O-ND2 3.11Å; E456-N460 VanDerWaalsContact O-ND2 3.15Å
457	E	94.6	Very high	91	Very high	48 Å²	48	48.8 Å²	48.8	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-40.7	174.6	-71	169.5	-175.6	0	0	112.5	L356 Q453 K455 N460 A461 N518 H522	L356-E457 HydrophobicContact CD2-CB 4.45Å; Q453-E457 WeakPolarHBondContact CG-OE1 2.96Å; Q453-E457 PolarHBondContact NE2-OE1 3.03Å; Q453-E457 WeakPolarHBondContact O-CG 3.28Å; Q453-E457 PolarHBondContact O-N 3.3Å; K455-E457 VanDerWaalsContact C-N 3.32Å; K455-E457 PolarHBondContact O-N 2.83Å; E457-N460 PolarHBondContact O-N 3.33Å; E457-A461 WeakPolarHBondContact O-CB 3.4Å; E457-A461 PolarHBondContact O-N 3.18Å; E457-N518 WeakPolarHBondContact CB-ND2 3.15Å; E457-N518 PolarHBondContact OE2-ND2 2.99Å; E457-H522 IonicContact OE1-CE1 2.71Å; E457-H522 IonicContact OE1-NE2 3.33Å; E457-H522 PolarHBondContact OE1-NE2 3.44Å; E457-H522 IonicContact OE2-CD2 3.32Å; E457-H522 IonicContact OE2-CE1 3.31Å; E457-H522 IonicContact OE2-NE2 2.65Å; E457-H522 PolarHBondContact OE2-NE2 2.88Å
458	V	95.6	Very high	90.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-43.6	173.9	172.1	0	0	0	0	111.4	L356 I454 K455 A461 I462 Y511 L514 I515 N518	L356-V458 HydrophobicContact CD1-CG2 4.12Å; L356-V458 HydrophobicContact CD2-CG2 4.15Å; I454-V458 WeakPolarHBondContact O-CG2 3.26Å; I454-V458 PolarHBondContact O-N 3.43Å; I454-V458 VanDerWaalsContact O-N 3.15Å; K455-V458 PolarHBondContact O-N 3.05Å; V458-A461 PolarHBondContact O-N 2.95Å; V458-I462 HydrophobicContact CG1-CD1 3.93Å; V458-I462 WeakPolarHBondContact O-CG1 3.41Å; V458-I462 PolarHBondContact O-N 3.35Å; V458-Y511 HydrophobicContact CG1-CE2 4.17Å; V458-L514 HydrophobicContact CG1-CB 4.04Å; V458-I515 HydrophobicContact CB-CG1 4.41Å; V458-I515 HydrophobicContact CG1-CG1 4.25Å; V458-I515 HydrophobicContact CG2-CG1 4.22Å; V458-N518 HydrophobicContact CG2-CB 3.7Å
459	D	94.9	Very high	90.5	Very high	18 Å²	18	49.7 Å²	49.7	10%	0.096	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-45.6	176.4	-72.4	-28.6	0	0	0	111.1	K455 E456 A461 I462 D463 R472 Y511	K455-D459 IonicContact NZ-OD1 3.89Å; K455-D459 PolarHBondContact NZ-OD1 3.46Å; K455-D459 IonicContact NZ-OD2 2.7Å; K455-D459 PolarHBondContact NZ-OD2 3.44Å; K455-D459 WeakPolarHBondContact O-CB 3.46Å; K455-D459 VanDerWaalsContact O-CG 3.28Å; K455-D459 PolarHBondContact O-N 3.18Å; E456-D459 PolarHBondContact O-N 3.25Å; D459-A461 VanDerWaalsContact C-N 3.32Å; D459-A461 PolarHBondContact O-N 2.98Å; D459-I462 PolarHBondContact O-N 2.98Å; D459-D463 WeakPolarHBondContact O-CB 3.19Å; D459-D463 PolarHBondContact O-N 3.48Å; D459-R472 IonicContact OD1-CZ 3.91Å; D459-R472 IonicContact OD1-NE 2.98Å; D459-R472 IonicContact OD1-NH1 3.19Å; D459-R472 PolarHBondContact OD1-NH1 3.35Å; D459-R472 IonicContact OD2-NH1 3.81Å; D459-R472 PolarHBondContact OD2-NH1 3.26Å; D459-Y511 PolarHBondContact OD1-OH 3.22Å
460	N	94	Very high	90.7	Very high	77 Å²	77	45.9 Å²	45.9	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-38.3	176.8	-70.3	-28.5	0	0	0	112.1	E456 E457 D463 D464	E456-N460 WeakPolarHBondContact O-CB 3.5Å; E456-N460 PolarHBondContact O-N 3.32Å; E456-N460 PolarHBondContact O-ND2 3.11Å; E456-N460 VanDerWaalsContact O-ND2 3.15Å; E457-N460 PolarHBondContact O-N 3.33Å; N460-D463 PolarHBondContact O-N 3.03Å; N460-D464 WeakPolarHBondContact O-CB 3.47Å; N460-D464 PolarHBondContact O-N 2.91Å
461	A	94.1	Very high	90.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-36.8	176.8	0	0	0	0	0	112.2	V352 H355 L356 E457 V458 D459 F465	V352-A461 HydrophobicContact CG1-CB 3.98Å; H355-A461 HydrophobicContact CB-CB 4.07Å; L356-A461 HydrophobicContact CD2-CB 3.86Å; L356-A461 HydrophobicContact CG-CB 4.08Å; E457-A461 WeakPolarHBondContact O-CB 3.4Å; E457-A461 PolarHBondContact O-N 3.18Å; V458-A461 PolarHBondContact O-N 2.95Å; D459-A461 VanDerWaalsContact C-N 3.32Å; D459-A461 PolarHBondContact O-N 2.98Å; A461-F465 WeakPolarHBondContact O-CD2 3Å
462	I	93.3	Very high	90.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-46	174	-68.2	165.3	0	0	0	110.4	V352 V458 D459 D464 F465 D466 L471 Y511	V352-I462 HydrophobicContact CG1-CG1 4.3Å; V352-I462 HydrophobicContact CG2-CG1 4.36Å; V458-I462 HydrophobicContact CG1-CD1 3.93Å; V458-I462 WeakPolarHBondContact O-CG1 3.41Å; V458-I462 PolarHBondContact O-N 3.35Å; D459-I462 PolarHBondContact O-N 2.98Å; I462-D464 PolarHBondContact O-N 3.48Å; I462-F465 CarbonylContact O-C 3.59Å; I462-F465 PolarHBondContact O-N 3.47Å; I462-F465 VanDerWaalsContact O-N 3.11Å; I462-D466 PolarHBondContact O-N 3.48Å; I462-L471 HydrophobicContact CD1-CB 4.49Å; I462-L471 HydrophobicContact CD1-CD2 4.28Å; I462-L471 HydrophobicContact CG2-CB 4.35Å; I462-Y511 HydrophobicContact CD1-CD2 3.83Å; I462-Y511 HydrophobicContact CD1-CE2 3.82Å
463	D	92.9	Very high	90.6	Very high	53 Å²	53	37.9 Å²	37.9	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-68.8	-21.9	-178.9	-65.8	-20.4	0	0	0	112.6	D459 N460 F465 N470 R472	D459-D463 WeakPolarHBondContact O-CB 3.19Å; D459-D463 PolarHBondContact O-N 3.48Å; N460-D463 PolarHBondContact O-N 3.03Å; D463-F465 PolarHBondContact O-N 3.37Å; D463-N470 PolarHBondContact OD1-ND2 3.41Å; D463-R472 IonicContact OD1-CZ 2.6Å; D463-R472 IonicContact OD1-NH2 3.51Å; D463-R472 PolarHBondContact OD1-NH2 3.28Å; D463-R472 IonicContact OD2-CZ 2.92Å; D463-R472 IonicContact OD2-NH2 3.94Å; D463-R472 PolarHBondContact OD2-NH2 2.89Å
464	D	89.8	Confident	90.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25	172.3	-166.2	36.3	0	0	0	112.6	S132 K133 L134 H355 N460 I462	S132-D464 VanDerWaalsContact CB-OD2 3.31Å; S132-D464 WeakPolarHBondContact CB-OD2 3.39Å; S132-D464 VanDerWaalsContact OG-CG 3.25Å; S132-D464 PolarHBondContact OG-OD1 3.22Å; S132-D464 VanDerWaalsContact OG-OD1 3.13Å; S132-D464 PolarHBondContact OG-OD2 3.48Å; K133-D464 WeakPolarHBondContact CA-OD1 3.4Å; K133-D464 WeakPolarHBondContact CB-OD1 3.47Å; K133-D464 WeakPolarHBondContact CG-O 3.17Å; K133-D464 PolarHBondContact N-OD1 3.17Å; L134-D464 HydrophobicContact CD1-CB 4.47Å; L134-D464 PolarHBondContact N-OD1 2.95Å; H355-D464 IonicContact CE1-OD2 2.91Å; H355-D464 PolarHBondContact CE1-OD2 2.9Å; H355-D464 VanDerWaalsContact CE1-OD2 3.26Å; H355-D464 IonicContact ND1-OD2 2.68Å; H355-D464 PolarHBondContact ND1-OD2 3.06Å; N460-D464 WeakPolarHBondContact O-CB 3.47Å; N460-D464 PolarHBondContact O-N 2.91Å; I462-D464 PolarHBondContact O-N 3.48Å
465	F	89.5	Confident	90	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	27.5	-176.2	-58.9	-66.7	0	0	0	113.4	Q130 L138 Q348 L351 V352 H355 A461 I462 D463 D467	Q130-F465 HydrophobicContact CG-CD1 4.09Å; Q130-F465 PolarHBondContact NE2-O 3.19Å; L138-F465 HydrophobicContact CB-CZ 4.04Å; L138-F465 HydrophobicContact CD1-CE2 4.17Å; L138-F465 HydrophobicContact CD1-CZ 3.71Å; Q348-F465 HydrophobicContact CG-CB 4.08Å; Q348-F465 PolarHBondContact NE2-O 3.19Å; L351-F465 HydrophobicContact CB-CD1 4.21Å; L351-F465 HydrophobicContact CB-CD2 3.82Å; L351-F465 HydrophobicContact CB-CE1 4.09Å; L351-F465 HydrophobicContact CB-CE2 3.71Å; L351-F465 HydrophobicContact CB-CG 4.07Å; L351-F465 HydrophobicContact CB-CZ 3.85Å; L351-F465 HydrophobicContact CD1-CD1 3.84Å; L351-F465 HydrophobicContact CD1-CE1 4.02Å; L351-F465 HydrophobicContact CD1-CG 4.26Å; L351-F465 HydrophobicContact CD2-CE1 4.39Å; L351-F465 HydrophobicContact CD2-CZ 4.45Å; L351-F465 HydrophobicContact CG-CE1 4.41Å; L351-F465 WeakPolarHBondContact O-CE2 3.48Å; V352-F465 HydrophobicContact CG2-CD2 4.15Å; H355-F465 HydrophobicContact CB-CE2 4.01Å; A461-F465 WeakPolarHBondContact O-CD2 3Å; I462-F465 CarbonylContact O-C 3.59Å; I462-F465 PolarHBondContact O-N 3.47Å; I462-F465 VanDerWaalsContact O-N 3.11Å; D463-F465 PolarHBondContact O-N 3.37Å; F465-D467 VanDerWaalsContact C-N 3.26Å; F465-D467 PolarHBondContact O-N 3.34Å
466	D	86.8	Confident	89.6	Confident	55 Å²	55	33.9 Å²	33.9	29%	0.294	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	3.7	-177.4	70.5	-9.3	0	0	0	115.1	K133 I462 V468 I469 N470	K133-D466 IonicContact NZ-OD1 3.96Å; K133-D466 PolarHBondContact NZ-OD1 3.22Å; I462-D466 PolarHBondContact O-N 3.48Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 2.96Å; D466-I469 WeakPolarHBondContact CA-O 3.11Å; D466-N470 HydrophobicContact CB-CB 3.92Å; D466-N470 WeakPolarHBondContact CB-ND2 3.31Å
467	D	81.8	Confident	89.1	Confident	83 Å²	83	32.3 Å²	32.3	44%	0.444	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.2	-177.5	-64.4	-45.8	0	0	0	114	K133 F465	K133-D467 WeakPolarHBondContact CE-OD1 3.49Å; K133-D467 WeakPolarHBondContact CE-OD2 3.29Å; K133-D467 IonicContact NZ-OD1 3.43Å; K133-D467 PolarHBondContact NZ-OD1 2.79Å; K133-D467 IonicContact NZ-OD2 3.47Å; F465-D467 VanDerWaalsContact C-N 3.26Å; F465-D467 PolarHBondContact O-N 3.34Å
468	V	78.6	Confident	88.6	Confident	54 Å²	54	30.3 Å²	30.3	33%	0.327	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-47.5	-178	-171	0	0	0	0	110.6	M342 T343 D466	M342-V468 HydrophobicContact CE-CG2 4.46Å; T343-V468 HydrophobicContact CG2-CG1 4.16Å; D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 2.96Å
469	I	84.5	Confident	87.7	Confident	21 Å²	21	31.1 Å²	31.1	11%	0.108	16%	0.162	C	C	.	.			trans	-141.5	135.7	-177.6	-57.4	171.3	0	0	0	106.9	T343 G345 Q348 D466 E474	T343-I469 WeakPolarHBondContact O-CD1 3.19Å; G345-I469 VanDerWaalsContact CA-CD1 3.46Å; Q348-I469 PolarHBondContact NE2-O 3.48Å; Q348-I469 VanDerWaalsContact OE1-CB 3.29Å; Q348-I469 PolarHBondContact OE1-O 3.49Å; D466-I469 WeakPolarHBondContact CA-O 3.11Å; I469-E474 HydrophobicContact CG2-CB 4.5Å; I469-E474 WeakPolarHBondContact CG2-OE2 3.47Å
470	N	89	Confident	86.9	Confident	10 Å²	10	33.5 Å²	33.5	5%	0.053	17%	0.174	C	C	.	.			trans	-112.9	117.1	163.6	-170.7	-50.6	0	0	0	108.2	D463 D466 R472 E473 E474	D463-N470 PolarHBondContact OD1-ND2 3.41Å; D466-N470 HydrophobicContact CB-CB 3.92Å; D466-N470 WeakPolarHBondContact CB-ND2 3.31Å; N470-R472 PolarHBondContact O-N 2.77Å; N470-R472 VanDerWaalsContact O-N 3.1Å; N470-R472 PolarHBondContact OD1-N 2.95Å; N470-E473 HydrophobicContact CB-CB 3.98Å; N470-E473 HydrophobicContact CB-CG 3.83Å; N470-E473 PolarHBondContact O-N 3.48Å; N470-E474 WeakPolarHBondContact O-CB 3.29Å; N470-E474 PolarHBondContact O-N 3.3Å
471	L	89.7	Confident	86.1	Confident	12 Å²	12	34.3 Å²	34.3	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-53	-37.6	-177	179.3	61.9	0	0	0	112.6	I462 T475 R507 R510 Y511 L514	I462-L471 HydrophobicContact CD1-CB 4.49Å; I462-L471 HydrophobicContact CD1-CD2 4.28Å; I462-L471 HydrophobicContact CG2-CB 4.35Å; L471-T475 WeakPolarHBondContact O-CB 3.31Å; L471-T475 PolarHBondContact O-N 3.45Å; L471-T475 PolarHBondContact O-OG1 3.39Å; L471-R507 HydrophobicContact CD1-CB 3.93Å; L471-R507 HydrophobicContact CD1-CG 4.35Å; L471-R510 HydrophobicContact CD1-CB 4.25Å; L471-R510 HydrophobicContact CD2-CB 4.05Å; L471-Y511 HydrophobicContact CD2-CD2 4.28Å; L471-L514 HydrophobicContact CD2-CD1 4.05Å
472	R	91.4	Very high	85	Confident	23 Å²	23	34.9 Å²	34.9	9%	0.087	18%	0.178	C	C	.	.	H	α-helix	trans	-75.3	-36.4	-178.7	-62	-178.9	-65.5	-179	5.4	112.1	D459 D463 N470 V476 Y511	D459-R472 IonicContact OD1-CZ 3.91Å; D459-R472 IonicContact OD1-NE 2.98Å; D459-R472 IonicContact OD1-NH1 3.19Å; D459-R472 PolarHBondContact OD1-NH1 3.35Å; D459-R472 IonicContact OD2-NH1 3.81Å; D459-R472 PolarHBondContact OD2-NH1 3.26Å; D463-R472 IonicContact OD1-CZ 2.6Å; D463-R472 IonicContact OD1-NH2 3.51Å; D463-R472 PolarHBondContact OD1-NH2 3.28Å; D463-R472 IonicContact OD2-CZ 2.92Å; D463-R472 IonicContact OD2-NH2 3.94Å; D463-R472 PolarHBondContact OD2-NH2 2.89Å; N470-R472 PolarHBondContact O-N 2.77Å; N470-R472 VanDerWaalsContact O-N 3.1Å; N470-R472 PolarHBondContact OD1-N 2.95Å; R472-V476 WeakPolarHBondContact O-CG2 3.46Å; R472-V476 PolarHBondContact O-N 3.01Å; R472-Y511 HydrophobicContact CG-CE2 4.29Å
473	E	88	Confident	83.8	Confident	98 Å²	98	35.3 Å²	35.3	46%	0.458	18%	0.18	S	C	.	.	H	α-helix	trans	-71.1	-44.2	175.2	-59.5	-170	150	0	0	110.9	N470 T475 V476 D477	N470-E473 HydrophobicContact CB-CB 3.98Å; N470-E473 HydrophobicContact CB-CG 3.83Å; N470-E473 PolarHBondContact O-N 3.48Å; E473-T475 VanDerWaalsContact C-N 3.31Å; E473-T475 PolarHBondContact O-N 3.04Å; E473-V476 CarbonylContact O-C 3.32Å; E473-V476 WeakPolarHBondContact O-CA 3.37Å; E473-V476 VanDerWaalsContact O-CB 3.32Å; E473-V476 WeakPolarHBondContact O-CB 3.37Å; E473-V476 PolarHBondContact O-N 3.04Å; E473-D477 VanDerWaalsContact O-CG 3.29Å; E473-D477 PolarHBondContact O-N 3.04Å
474	E	86.9	Confident	82.5	Confident	42 Å²	42	35.8 Å²	35.8	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-39.7	177.5	-165.7	-167	169.7	0	0	111.9	I469 N470 V476 D477 C478 R507	I469-E474 HydrophobicContact CG2-CB 4.5Å; I469-E474 WeakPolarHBondContact CG2-OE2 3.47Å; N470-E474 WeakPolarHBondContact O-CB 3.29Å; N470-E474 PolarHBondContact O-N 3.3Å; E474-V476 VanDerWaalsContact C-N 3.26Å; E474-V476 PolarHBondContact O-N 3.08Å; E474-D477 PolarHBondContact O-N 3.27Å; E474-C478 WeakPolarHBondContact O-CB 2.99Å; E474-C478 PolarHBondContact O-N 3.05Å; E474-C478 PolarHBondContact O-SG 3.31Å; E474-R507 IonicContact OE1-CZ 3.08Å; E474-R507 IonicContact OE1-NE 3.84Å; E474-R507 PolarHBondContact OE1-NE 3.44Å; E474-R507 IonicContact OE1-NH2 3.3Å; E474-R507 PolarHBondContact OE1-NH2 3.11Å; E474-R507 IonicContact OE2-CZ 3.64Å; E474-R507 VanDerWaalsContact OE2-CZ 3.27Å; E474-R507 IonicContact OE2-NE 3.6Å; E474-R507 PolarHBondContact OE2-NE 2.9Å; E474-R507 IonicContact OE2-NH2 3.67Å; E474-R507 PolarHBondContact OE2-NH2 3.02Å
475	T	86.6	Confident	81.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-42.9	173.4	-57.8	0	0	0	0	110.7	Y438 L471 E473 I479 R507 M508	Y438-T475 HydrophobicContact CE1-CG2 4.37Å; L471-T475 WeakPolarHBondContact O-CB 3.31Å; L471-T475 PolarHBondContact O-N 3.45Å; L471-T475 PolarHBondContact O-OG1 3.39Å; E473-T475 VanDerWaalsContact C-N 3.31Å; E473-T475 PolarHBondContact O-N 3.04Å; T475-I479 HydrophobicContact CG2-CD1 4.17Å; T475-I479 WeakPolarHBondContact O-CD1 3.33Å; T475-I479 WeakPolarHBondContact O-CG1 3.17Å; T475-I479 PolarHBondContact O-N 3.26Å; T475-R507 WeakPolarHBondContact OG1-CB 3.33Å; T475-M508 HydrophobicContact CG2-CE 3.49Å; T475-M508 VanDerWaalsContact CG2-CE 3.49Å; T475-M508 HydrophobicContact CG2-CG 3.81Å
476	V	84.9	Confident	79.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-43.2	178.1	154.1	0	0	0	0	111.6	M430 L433 R434 R472 E473 E474 I479 I480	M430-V476 HydrophobicContact CE-CG1 4.37Å; M430-V476 HydrophobicContact CG-CG1 3.57Å; M430-V476 HydrophobicContact CG-CG2 4.46Å; M430-V476 HydrophobicContact SD-CB 3.86Å; M430-V476 HydrophobicContact SD-CG1 3.26Å; M430-V476 WeakPolarHBondContact SD-CG1 3.49Å; M430-V476 HydrophobicContact SD-CG2 3.61Å; L433-V476 HydrophobicContact CB-CG2 3.64Å; R434-V476 HydrophobicContact CG-CB 4.21Å; R434-V476 HydrophobicContact CG-CG1 4.08Å; R434-V476 HydrophobicContact CG-CG2 3.79Å; R472-V476 WeakPolarHBondContact O-CG2 3.46Å; R472-V476 PolarHBondContact O-N 3.01Å; E473-V476 CarbonylContact O-C 3.32Å; E473-V476 WeakPolarHBondContact O-CA 3.37Å; E473-V476 VanDerWaalsContact O-CB 3.32Å; E473-V476 WeakPolarHBondContact O-CB 3.37Å; E473-V476 PolarHBondContact O-N 3.04Å; E474-V476 VanDerWaalsContact C-N 3.26Å; E474-V476 PolarHBondContact O-N 3.08Å; V476-I479 WeakPolarHBondContact O-CB 3.43Å; V476-I479 PolarHBondContact O-N 2.75Å; V476-I480 HydrophobicContact CG1-CD1 3.87Å; V476-I480 HydrophobicContact CG1-CG1 4.47Å; V476-I480 VanDerWaalsContact O-CG1 3.32Å; V476-I480 WeakPolarHBondContact O-CG1 3.26Å; V476-I480 PolarHBondContact O-N 3.46Å
477	D	84.8	Confident	78.4	Confident	80 Å²	80	42 Å²	42	43%	0.428	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-40.9	-180	-64.9	-20.4	0	0	0	110.9	E473 E474 I479 I480 E481	E473-D477 VanDerWaalsContact O-CG 3.29Å; E473-D477 PolarHBondContact O-N 3.04Å; E474-D477 PolarHBondContact O-N 3.27Å; D477-I479 VanDerWaalsContact C-N 3.3Å; D477-I479 PolarHBondContact O-N 3.45Å; D477-I480 PolarHBondContact O-N 3.03Å; D477-E481 WeakPolarHBondContact O-CB 3.35Å; D477-E481 PolarHBondContact O-N 3.31Å
478	C	82.6	Confident	77.1	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-41.2	171.2	-70	0	0	0	0	111.8	E474 F482 R503	E474-C478 WeakPolarHBondContact O-CB 2.99Å; E474-C478 PolarHBondContact O-N 3.05Å; E474-C478 PolarHBondContact O-SG 3.31Å; C478-F482 WeakPolarHBondContact O-CB 3.39Å; C478-F482 PolarHBondContact O-N 3.41Å; C478-R503 VanDerWaalsContact SG-CD 3.54Å
479	I	78.1	Confident	75.9	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-52.9	174.1	-68.3	160.7	0	0	0	109.1	M430 L433 T475 V476 D477 E481 F482 L483 T504 M508 I552	M430-I479 HydrophobicContact CE-CG2 4.15Å; L433-I479 HydrophobicContact CD1-CD1 4.14Å; T475-I479 HydrophobicContact CG2-CD1 4.17Å; T475-I479 WeakPolarHBondContact O-CD1 3.33Å; T475-I479 WeakPolarHBondContact O-CG1 3.17Å; T475-I479 PolarHBondContact O-N 3.26Å; V476-I479 WeakPolarHBondContact O-CB 3.43Å; V476-I479 PolarHBondContact O-N 2.75Å; D477-I479 VanDerWaalsContact C-N 3.3Å; D477-I479 PolarHBondContact O-N 3.45Å; I479-E481 VanDerWaalsContact C-N 3.29Å; I479-E481 PolarHBondContact O-N 3.27Å; I479-F482 CarbonylContact O-C 3.48Å; I479-F482 WeakPolarHBondContact O-CA 3.22Å; I479-F482 WeakPolarHBondContact O-CB 3.39Å; I479-F482 PolarHBondContact O-N 3.35Å; I479-F482 VanDerWaalsContact O-N 3.08Å; I479-L483 HydrophobicContact CG2-CD1 4.1Å; I479-L483 HydrophobicContact CG2-CD2 3.97Å; I479-L483 HydrophobicContact CG2-CG 3.97Å; I479-L483 WeakPolarHBondContact O-CD2 3.36Å; I479-L483 WeakPolarHBondContact O-CG 3.48Å; I479-L483 PolarHBondContact O-N 2.72Å; I479-T504 HydrophobicContact CD1-CG2 4.42Å; I479-T504 HydrophobicContact CG1-CG2 3.73Å; I479-M508 HydrophobicContact CD1-CE 3.73Å; I479-M508 HydrophobicContact CG1-CE 4.33Å; I479-I552 HydrophobicContact CD1-CD1 3.84Å
480	I	77.2	Confident	74.7	Confident	68 Å²	68	49.8 Å²	49.8	35%	0.349	27%	0.273	S	S	.	.	H	α-helix	trans	-56	-44.7	-179.1	-66.8	169.2	0	0	0	111	M430 V476 D477 L483 G484	M430-I480 HydrophobicContact CE-CD1 4.03Å; M430-I480 HydrophobicContact CE-CG1 3.43Å; M430-I480 VanDerWaalsContact CE-CG1 3.43Å; M430-I480 HydrophobicContact CG-CD1 4.39Å; M430-I480 HydrophobicContact SD-CG1 4.4Å; V476-I480 HydrophobicContact CG1-CD1 3.87Å; V476-I480 HydrophobicContact CG1-CG1 4.47Å; V476-I480 VanDerWaalsContact O-CG1 3.32Å; V476-I480 WeakPolarHBondContact O-CG1 3.26Å; V476-I480 PolarHBondContact O-N 3.46Å; D477-I480 PolarHBondContact O-N 3.03Å; I480-L483 PolarHBondContact O-N 3.19Å; I480-G484 PolarHBondContact O-N 3.46Å
481	E	77.8	Confident	73.4	Confident	94 Å²	94	53.6 Å²	53.6	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-47.6	175.7	-168.9	-176	178.4	0	0	111.1	D477 I479 L483 G484 L500	D477-E481 WeakPolarHBondContact O-CB 3.35Å; D477-E481 PolarHBondContact O-N 3.31Å; I479-E481 VanDerWaalsContact C-N 3.29Å; I479-E481 PolarHBondContact O-N 3.27Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 2.77Å; E481-G484 PolarHBondContact O-N 3.43Å; E481-G484 VanDerWaalsContact O-N 3.16Å; E481-L500 HydrophobicContact CG-CD1 3.87Å; E481-L500 HydrophobicContact CG-CD2 4.25Å; E481-L500 WeakPolarHBondContact OE2-CD2 3.43Å
482	F	70.5	Confident	72.2	Confident	11 Å²	11	58.9 Å²	58.9	5%	0.048	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-35.3	174.2	179.2	-103.5	0	0	0	112.4	C478 I479 L497 L500 Y501 P1080	C478-F482 WeakPolarHBondContact O-CB 3.39Å; C478-F482 PolarHBondContact O-N 3.41Å; I479-F482 CarbonylContact O-C 3.48Å; I479-F482 WeakPolarHBondContact O-CA 3.22Å; I479-F482 WeakPolarHBondContact O-CB 3.39Å; I479-F482 PolarHBondContact O-N 3.35Å; I479-F482 VanDerWaalsContact O-N 3.08Å; F482-L497 HydrophobicContact CD2-CD1 3.47Å; F482-L497 VanDerWaalsContact CD2-CD1 3.47Å; F482-L497 HydrophobicContact CD2-CG 4.29Å; F482-L497 HydrophobicContact CE2-CD1 3.22Å; F482-L497 HydrophobicContact CE2-CG 3.7Å; F482-L497 HydrophobicContact CG-CD1 4.45Å; F482-L497 HydrophobicContact CZ-CD1 4.04Å; F482-L500 HydrophobicContact CB-CB 4.42Å; F482-L500 HydrophobicContact CD2-CB 4.18Å; F482-Y501 HydrophobicContact CE2-CD2 4.49Å; F482-Y501 HydrophobicContact CZ-CD2 4.31Å; F482-P1080 HydrophobicContact CE2-CB 4.41Å; F482-P1080 HydrophobicContact CZ-CB 4.47Å
483	L	67.8	Low	71	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-77.6	-27.5	178.1	-51.3	-163.2	0	0	0	112.8	F426 I479 I480 E481 L485 L1084	F426-L483 HydrophobicContact CE2-CD1 3.52Å; F426-L483 HydrophobicContact CZ-CD1 3.82Å; I479-L483 HydrophobicContact CG2-CD1 4.1Å; I479-L483 HydrophobicContact CG2-CD2 3.97Å; I479-L483 HydrophobicContact CG2-CG 3.97Å; I479-L483 WeakPolarHBondContact O-CD2 3.36Å; I479-L483 WeakPolarHBondContact O-CG 3.48Å; I479-L483 PolarHBondContact O-N 2.72Å; I480-L483 PolarHBondContact O-N 3.19Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 2.77Å; L483-L485 VanDerWaalsContact C-N 3.31Å; L483-L1084 HydrophobicContact CB-CB 4.32Å; L483-L1084 HydrophobicContact CD1-CB 3.74Å; L483-L1084 HydrophobicContact CD1-CD1 3.72Å; L483-L1084 HydrophobicContact CD1-CD2 4.02Å; L483-L1084 HydrophobicContact CD1-CG 4.02Å; L483-L1084 HydrophobicContact CD2-CB 3.72Å; L483-L1084 HydrophobicContact CD2-CD1 3.33Å; L483-L1084 HydrophobicContact CD2-CG 4.08Å; L483-L1084 HydrophobicContact CG-CB 4.05Å; L483-L1084 HydrophobicContact CG-CD1 4.11Å
484	G	65.5	Low	70	Confident	62 Å²	62	59.9 Å²	59.9	64%	0.639	34%	0.341	S	S	*	.	H	α-helix	trans	-77.4	-14	-176.2	0	0	0	0	0	114.1	I480 E481	I480-G484 PolarHBondContact O-N 3.46Å; E481-G484 PolarHBondContact O-N 3.43Å; E481-G484 VanDerWaalsContact O-N 3.16Å
485	L	66.2	Low	69.4	Low	48 Å²	48	61 Å²	61	25%	0.251	35%	0.354	S	S	.	.	S	Bend	trans	-77.6	126.9	-177.8	-69	-180	0	0	0	112.1	L483 L496 L497 L500	L483-L485 VanDerWaalsContact C-N 3.31Å; L485-L496 HydrophobicContact CD1-CD2 4.2Å; L485-L496 HydrophobicContact CD1-CG 4.31Å; L485-L496 HydrophobicContact CD2-CD2 4.37Å; L485-L497 HydrophobicContact CD1-CD1 4.24Å; L485-L500 HydrophobicContact CD1-CD1 3.58Å; L485-L500 HydrophobicContact CG-CD1 4.45Å
486	P	60.1	Low	69	Low	81 Å²	81	64.6 Å²	64.6	53%	0.526	37%	0.372	S	S	.	.			trans	-68.4	138.3	172.8	27.7	-32.7	0	0	0	110.9	T488	P486-T488 PolarHBondContact O-N 3.03Å
487	I	54.4	Low	68.5	Low	60 Å²	60	66.1 Å²	66.1	31%	0.308	38%	0.38	S	S	.	.			trans	-68.8	112	172.9	-62.2	165.3	0	0	0	108.4	H566 P1082 V1085	I487-H566 HydrophobicContact CD1-CB 4.24Å; I487-P1082 HydrophobicContact CD1-CB 3.99Å; I487-P1082 HydrophobicContact CD1-CG 4.1Å; I487-P1082 HydrophobicContact CG1-CB 4.11Å; I487-P1082 HydrophobicContact CG1-CG 4.46Å; I487-V1085 HydrophobicContact CD1-CG2 3.54Å; I487-V1085 HydrophobicContact CG1-CG2 3.73Å
488	T	53.9	Low	68.2	Low	56 Å²	56	65.4 Å²	65.4	34%	0.344	37%	0.373	S	S	.	.			trans	-139.6	146.9	171.9	56.4	0	0	0	0	110.1	P486 E490 K493	P486-T488 PolarHBondContact O-N 3.03Å; T488-E490 PolarHBondContact O-N 3.3Å; T488-K493 WeakPolarHBondContact OG1-CD 3.08Å; T488-K493 PolarHBondContact OG1-NZ 2.94Å
489	D	53.9	Low	68.1	Low	158 Å²	158	68.6 Å²	68.6	85%	0.845	39%	0.393	S	S	*	.			trans	-73.2	13.5	-177.5	-62.6	-33.4	0	0	0	114.7	S491	D489-S491 PolarHBondContact O-N 3.43Å
490	E	59	Low	68.2	Low	108 Å²	108	67.8 Å²	67.8	51%	0.505	39%	0.388	S	S	.	.			trans	-72	128.1	178.2	-70	174	-175.4	0	0	110.6	T488 D492 K493 S494	T488-E490 PolarHBondContact O-N 3.3Å; E490-D492 PolarHBondContact O-N 3.32Å; E490-K493 HydrophobicContact CB-CB 4.38Å; E490-K493 HydrophobicContact CB-CD 4.32Å; E490-K493 PolarHBondContact O-N 2.9Å; E490-K493 IonicContact OE1-NZ 2.72Å; E490-K493 VanDerWaalsContact OE2-CD 3.29Å; E490-K493 WeakPolarHBondContact OE2-CD 3.32Å; E490-K493 WeakPolarHBondContact OE2-CE 3.34Å; E490-K493 IonicContact OE2-NZ 3.4Å; E490-K493 PolarHBondContact OE2-NZ 3.35Å; E490-S494 PolarHBondContact O-N 2.7Å
491	S	63	Low	68.5	Low	90 Å²	90	64.7 Å²	64.7	63%	0.629	37%	0.372	S	S	*	.	H	α-helix	trans	-52.5	-40.7	-179.2	51.9	0	0	0	0	112.8	D489 S494 S495	D489-S491 PolarHBondContact O-N 3.43Å; S491-S494 PolarHBondContact O-N 2.86Å; S491-S495 PolarHBondContact O-N 2.8Å
492	D	62.7	Low	68.8	Low	123 Å²	123	62.5 Å²	62.5	66%	0.658	36%	0.364	S	S	*	.	H	α-helix	trans	-73.4	-33.8	-174.2	-58.8	-8.5	0	0	0	111.6	E490 S495 L496	E490-D492 PolarHBondContact O-N 3.32Å; D492-S495 PolarHBondContact O-OG 2.92Å; D492-L496 WeakPolarHBondContact O-CB 3.11Å; D492-L496 PolarHBondContact O-N 3.48Å
493	K	66.7	Low	69.6	Low	72 Å²	72	66.5 Å²	66.5	31%	0.313	38%	0.378	S	S	.	.	H	α-helix	trans	-74.5	-33.8	173.3	-75.3	173.2	-179.5	151.8	0	111.7	T488 E490 S495 L496 L497	T488-K493 WeakPolarHBondContact OG1-CD 3.08Å; T488-K493 PolarHBondContact OG1-NZ 2.94Å; E490-K493 HydrophobicContact CB-CB 4.38Å; E490-K493 HydrophobicContact CB-CD 4.32Å; E490-K493 PolarHBondContact O-N 2.9Å; E490-K493 IonicContact OE1-NZ 2.72Å; E490-K493 VanDerWaalsContact OE2-CD 3.29Å; E490-K493 WeakPolarHBondContact OE2-CD 3.32Å; E490-K493 WeakPolarHBondContact OE2-CE 3.34Å; E490-K493 IonicContact OE2-NZ 3.4Å; E490-K493 PolarHBondContact OE2-NZ 3.35Å; K493-S495 VanDerWaalsContact C-N 3.34Å; K493-L496 PolarHBondContact O-N 3.2Å; K493-L497 VanDerWaalsContact O-CB 3.27Å; K493-L497 WeakPolarHBondContact O-CB 3.36Å; K493-L497 PolarHBondContact O-N 3.35Å
494	S	68.3	Low	70.4	Confident	70 Å²	70	66.2 Å²	66.2	49%	0.49	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-38.2	173.8	-173	0	0	0	0	112	E490 S491 K498	E490-S494 PolarHBondContact O-N 2.7Å; S491-S494 PolarHBondContact O-N 2.86Å; S494-K498 PolarHBondContact O-N 3.36Å; S494-K498 VanDerWaalsContact O-N 3.13Å
495	S	74.2	Confident	71.5	Confident	67 Å²	67	63.6 Å²	63.6	47%	0.469	35%	0.348	S	S	.	.	H	α-helix	trans	-71.1	-40.6	175.7	66.9	0	0	0	0	111.7	S491 D492 K493 K498 T499	S491-S495 PolarHBondContact O-N 2.8Å; D492-S495 PolarHBondContact O-OG 2.92Å; K493-S495 VanDerWaalsContact C-N 3.34Å; S495-K498 PolarHBondContact O-N 3.37Å; S495-T499 PolarHBondContact O-N 2.99Å; S495-T499 PolarHBondContact O-OG1 2.73Å
496	L	77.1	Confident	72.7	Confident	75 Å²	75	62.3 Å²	62.3	39%	0.393	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-46.1	172.9	-178.5	63.2	0	0	0	111.8	L485 D492 K493 K498 T499 L500	L485-L496 HydrophobicContact CD1-CD2 4.2Å; L485-L496 HydrophobicContact CD1-CG 4.31Å; L485-L496 HydrophobicContact CD2-CD2 4.37Å; D492-L496 WeakPolarHBondContact O-CB 3.11Å; D492-L496 PolarHBondContact O-N 3.48Å; K493-L496 PolarHBondContact O-N 3.2Å; L496-K498 VanDerWaalsContact C-N 3.3Å; L496-K498 PolarHBondContact O-N 2.98Å; L496-T499 WeakPolarHBondContact O-CB 3.36Å; L496-T499 PolarHBondContact O-N 3.36Å; L496-T499 VanDerWaalsContact O-N 3.13Å; L496-L500 HydrophobicContact CD1-CG 4.45Å; L496-L500 HydrophobicContact CG-CD1 4.38Å; L496-L500 WeakPolarHBondContact O-CG 3.41Å; L496-L500 PolarHBondContact O-N 2.83Å
497	L	75	Confident	74.1	Confident	32 Å²	32	59.1 Å²	59.1	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-42.9	177.8	-173.6	70.6	0	0	0	111.6	F482 L485 K493 L500 Y501 P1080	F482-L497 HydrophobicContact CD2-CD1 3.47Å; F482-L497 VanDerWaalsContact CD2-CD1 3.47Å; F482-L497 HydrophobicContact CD2-CG 4.29Å; F482-L497 HydrophobicContact CE2-CD1 3.22Å; F482-L497 HydrophobicContact CE2-CG 3.7Å; F482-L497 HydrophobicContact CG-CD1 4.45Å; F482-L497 HydrophobicContact CZ-CD1 4.04Å; L485-L497 HydrophobicContact CD1-CD1 4.24Å; K493-L497 VanDerWaalsContact O-CB 3.27Å; K493-L497 WeakPolarHBondContact O-CB 3.36Å; K493-L497 PolarHBondContact O-N 3.35Å; L497-L500 PolarHBondContact O-N 2.86Å; L497-Y501 WeakPolarHBondContact O-CB 3.31Å; L497-Y501 PolarHBondContact O-N 3.19Å; L497-P1080 HydrophobicContact CD2-CB 3.85Å; L497-P1080 HydrophobicContact CD2-CG 3.92Å; L497-P1080 HydrophobicContact CG-CB 3.98Å; L497-P1080 HydrophobicContact CG-CG 4.3Å
498	K	77.1	Confident	75.9	Confident	64 Å²	64	56.3 Å²	56.3	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.5	-179.2	172.4	175.8	170	0	111.7	S494 S495 L496 Y501 N502 D1078	S494-K498 PolarHBondContact O-N 3.36Å; S494-K498 VanDerWaalsContact O-N 3.13Å; S495-K498 PolarHBondContact O-N 3.37Å; L496-K498 VanDerWaalsContact C-N 3.3Å; L496-K498 PolarHBondContact O-N 2.98Å; K498-Y501 PolarHBondContact O-N 3.03Å; K498-N502 WeakPolarHBondContact O-CB 3.49Å; K498-N502 VanDerWaalsContact O-CG 3.31Å; K498-N502 PolarHBondContact O-N 2.6Å; K498-D1078 WeakPolarHBondContact CE-OD2 3.44Å; K498-D1078 IonicContact NZ-OD2 3.55Å; K498-D1078 PolarHBondContact NZ-OD2 2.78Å
499	T	81.6	Confident	77.7	Confident	73 Å²	73	53.6 Å²	53.6	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-45	177.5	-60.4	0	0	0	0	111.9	S495 L496 N502 R503	S495-T499 PolarHBondContact O-N 2.99Å; S495-T499 PolarHBondContact O-OG1 2.73Å; L496-T499 WeakPolarHBondContact O-CB 3.36Å; L496-T499 PolarHBondContact O-N 3.36Å; L496-T499 VanDerWaalsContact O-N 3.13Å; T499-N502 PolarHBondContact O-N 3.42Å; T499-R503 WeakPolarHBondContact O-CB 3.37Å; T499-R503 PolarHBondContact O-N 3.41Å
500	L	80.9	Confident	79.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-39.8	177.4	-69.8	177.7	0	0	0	112.8	E481 F482 L485 L496 L497 R503 T504	E481-L500 HydrophobicContact CG-CD1 3.87Å; E481-L500 HydrophobicContact CG-CD2 4.25Å; E481-L500 WeakPolarHBondContact OE2-CD2 3.43Å; F482-L500 HydrophobicContact CB-CB 4.42Å; F482-L500 HydrophobicContact CD2-CB 4.18Å; L485-L500 HydrophobicContact CD1-CD1 3.58Å; L485-L500 HydrophobicContact CG-CD1 4.45Å; L496-L500 HydrophobicContact CD1-CG 4.45Å; L496-L500 HydrophobicContact CG-CD1 4.38Å; L496-L500 WeakPolarHBondContact O-CG 3.41Å; L496-L500 PolarHBondContact O-N 2.83Å; L497-L500 PolarHBondContact O-N 2.86Å; L500-R503 PolarHBondContact O-N 2.91Å; L500-T504 PolarHBondContact O-N 3Å; L500-T504 PolarHBondContact O-OG1 2.95Å
501	Y	81.9	Confident	81.4	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-50.9	173.7	174.6	-99.1	0	0	0	111.1	F482 L497 K498 R503 T504 I505 P1076 D1077	F482-Y501 HydrophobicContact CE2-CD2 4.49Å; F482-Y501 HydrophobicContact CZ-CD2 4.31Å; L497-Y501 WeakPolarHBondContact O-CB 3.31Å; L497-Y501 PolarHBondContact O-N 3.19Å; K498-Y501 PolarHBondContact O-N 3.03Å; Y501-R503 VanDerWaalsContact C-N 3.31Å; Y501-R503 PolarHBondContact O-N 3.29Å; Y501-T504 WeakPolarHBondContact O-CB 3.32Å; Y501-T504 PolarHBondContact O-N 2.83Å; Y501-T504 VanDerWaalsContact O-N 3.08Å; Y501-I505 HydrophobicContact CD1-CG1 4.38Å; Y501-I505 HydrophobicContact CE1-CG1 3.98Å; Y501-I505 HydrophobicContact CE2-CD1 4.23Å; Y501-I505 HydrophobicContact CE2-CG1 4.22Å; Y501-I505 WeakPolarHBondContact O-CG1 3.45Å; Y501-I505 PolarHBondContact O-N 3.25Å; Y501-P1076 WeakPolarHBondContact OH-CB 3.45Å; Y501-D1077 VanDerWaalsContact CE1-O 3.28Å; Y501-D1077 WeakPolarHBondContact CE1-O 3.35Å; Y501-D1077 PolarHBondContact OH-O 2.92Å
502	N	85	Confident	82.9	Confident	48 Å²	48	37 Å²	37	26%	0.257	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-42.4	178.3	-74.7	-10.1	0	0	0	111.9	K498 T499 T504 I505 D506	K498-N502 WeakPolarHBondContact O-CB 3.49Å; K498-N502 VanDerWaalsContact O-CG 3.31Å; K498-N502 PolarHBondContact O-N 2.6Å; T499-N502 PolarHBondContact O-N 3.42Å; N502-T504 VanDerWaalsContact C-N 3.32Å; N502-T504 PolarHBondContact O-N 2.71Å; N502-I505 PolarHBondContact O-N 3.45Å; N502-D506 WeakPolarHBondContact O-CB 3.5Å; N502-D506 VanDerWaalsContact O-CG 3.24Å; N502-D506 PolarHBondContact O-N 3.14Å
503	R	86.5	Confident	84.5	Confident	95 Å²	95	31.2 Å²	31.2	36%	0.358	17%	0.165	S	C	.	.	H	α-helix	trans	-58	-44.8	174.3	-172	-176.5	-64.3	160.8	-1.1	111.4	C478 T499 L500 Y501 I505 D506 R507	C478-R503 VanDerWaalsContact SG-CD 3.54Å; T499-R503 WeakPolarHBondContact O-CB 3.37Å; T499-R503 PolarHBondContact O-N 3.41Å; L500-R503 PolarHBondContact O-N 2.91Å; Y501-R503 VanDerWaalsContact C-N 3.31Å; Y501-R503 PolarHBondContact O-N 3.29Å; R503-I505 PolarHBondContact O-N 3.4Å; R503-D506 PolarHBondContact O-N 3.44Å; R503-R507 WeakPolarHBondContact O-CG 3.47Å; R503-R507 PolarHBondContact O-N 3.38Å
504	T	85.4	Confident	85.9	Confident	5 Å²	5	28 Å²	28	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-46	177.5	-58.4	0	0	0	0	111.4	I479 L500 Y501 N502 R507 M508	I479-T504 HydrophobicContact CD1-CG2 4.42Å; I479-T504 HydrophobicContact CG1-CG2 3.73Å; L500-T504 PolarHBondContact O-N 3Å; L500-T504 PolarHBondContact O-OG1 2.95Å; Y501-T504 WeakPolarHBondContact O-CB 3.32Å; Y501-T504 PolarHBondContact O-N 2.83Å; Y501-T504 VanDerWaalsContact O-N 3.08Å; N502-T504 VanDerWaalsContact C-N 3.32Å; N502-T504 PolarHBondContact O-N 2.71Å; T504-R507 PolarHBondContact O-N 3.43Å; T504-M508 HydrophobicContact CG2-CE 3.46Å; T504-M508 VanDerWaalsContact CG2-CE 3.46Å; T504-M508 HydrophobicContact CG2-SD 4.46Å; T504-M508 WeakPolarHBondContact O-CG 3.14Å; T504-M508 PolarHBondContact O-N 3.21Å; T504-M508 VanDerWaalsContact O-N 3.08Å
505	I	88.6	Confident	87.2	Confident	7 Å²	7	24.6 Å²	24.6	4%	0.036	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-41.1	176.7	-60.9	-56.2	0	0	0	111.3	Y501 N502 R503 R507 M508 E509 L550 D551 P1076	Y501-I505 HydrophobicContact CD1-CG1 4.38Å; Y501-I505 HydrophobicContact CE1-CG1 3.98Å; Y501-I505 HydrophobicContact CE2-CD1 4.23Å; Y501-I505 HydrophobicContact CE2-CG1 4.22Å; Y501-I505 WeakPolarHBondContact O-CG1 3.45Å; Y501-I505 PolarHBondContact O-N 3.25Å; N502-I505 PolarHBondContact O-N 3.45Å; R503-I505 PolarHBondContact O-N 3.4Å; I505-R507 PolarHBondContact O-N 2.83Å; I505-M508 PolarHBondContact O-N 3.49Å; I505-E509 VanDerWaalsContact O-CB 3.3Å; I505-E509 WeakPolarHBondContact O-CB 3.38Å; I505-E509 PolarHBondContact O-N 3.06Å; I505-L550 HydrophobicContact CD1-CB 4.37Å; I505-D551 HydrophobicContact CD1-CB 4.33Å; I505-P1076 HydrophobicContact CD1-CG 4.25Å; I505-P1076 HydrophobicContact CG2-CG 4.45Å
506	D	90.6	Very high	88.2	Confident	21 Å²	21	21.4 Å²	21.4	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-42.5	177	-72.8	-30.4	0	0	0	112.1	G279 K280 N502 R503 E509 R510 R1075	G279-D506 WeakPolarHBondContact O-CB 3.43Å; K280-D506 VanDerWaalsContact CE-OD2 3.29Å; K280-D506 WeakPolarHBondContact CE-OD2 3.28Å; K280-D506 HydrophobicContact CG-CB 4.12Å; N502-D506 WeakPolarHBondContact O-CB 3.5Å; N502-D506 VanDerWaalsContact O-CG 3.24Å; N502-D506 PolarHBondContact O-N 3.14Å; R503-D506 PolarHBondContact O-N 3.44Å; D506-E509 PolarHBondContact O-N 3.27Å; D506-R510 WeakPolarHBondContact O-CG 3.42Å; D506-R510 PolarHBondContact O-N 2.86Å; D506-R1075 IonicContact OD1-CZ 3.61Å; D506-R1075 IonicContact OD1-NH1 3.01Å; D506-R1075 IonicContact OD1-NH2 3.96Å; D506-R1075 PolarHBondContact OD1-NH2 3.39Å
507	R	91	Very high	89.1	Confident	15 Å²	15	17.9 Å²	17.9	6%	0.057	9%	0.086	C	C	.	.	H	α-helix	trans	-66.9	-40	176.1	-61.1	-48.9	-178.2	-168.4	9.8	112.5	G279 L471 E474 T475 R503 T504 I505 R510 Y511	G279-R507 PolarHBondContact O-NH1 2.89Å; L471-R507 HydrophobicContact CD1-CB 3.93Å; L471-R507 HydrophobicContact CD1-CG 4.35Å; E474-R507 IonicContact OE1-CZ 3.08Å; E474-R507 IonicContact OE1-NE 3.84Å; E474-R507 PolarHBondContact OE1-NE 3.44Å; E474-R507 IonicContact OE1-NH2 3.3Å; E474-R507 PolarHBondContact OE1-NH2 3.11Å; E474-R507 IonicContact OE2-CZ 3.64Å; E474-R507 VanDerWaalsContact OE2-CZ 3.27Å; E474-R507 IonicContact OE2-NE 3.6Å; E474-R507 PolarHBondContact OE2-NE 2.9Å; E474-R507 IonicContact OE2-NH2 3.67Å; E474-R507 PolarHBondContact OE2-NH2 3.02Å; T475-R507 WeakPolarHBondContact OG1-CB 3.33Å; R503-R507 WeakPolarHBondContact O-CG 3.47Å; R503-R507 PolarHBondContact O-N 3.38Å; T504-R507 PolarHBondContact O-N 3.43Å; I505-R507 PolarHBondContact O-N 2.83Å; R507-R510 WeakPolarHBondContact O-CB 3.31Å; R507-R510 PolarHBondContact O-N 3.19Å; R507-Y511 PolarHBondContact O-N 3.12Å; R507-Y511 VanDerWaalsContact O-N 3.11Å
508	M	90.7	Very high	90.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.7	-38.5	176	-68.2	-176.3	-166.9	0	0	112.3	F440 T475 I479 T504 I505 Y511 H512 L550 I552	F440-M508 HydrophobicContact CE1-CB 4.29Å; F440-M508 HydrophobicContact CE1-SD 4.49Å; T475-M508 HydrophobicContact CG2-CE 3.49Å; T475-M508 VanDerWaalsContact CG2-CE 3.49Å; T475-M508 HydrophobicContact CG2-CG 3.81Å; I479-M508 HydrophobicContact CD1-CE 3.73Å; I479-M508 HydrophobicContact CG1-CE 4.33Å; T504-M508 HydrophobicContact CG2-CE 3.46Å; T504-M508 VanDerWaalsContact CG2-CE 3.46Å; T504-M508 HydrophobicContact CG2-SD 4.46Å; T504-M508 WeakPolarHBondContact O-CG 3.14Å; T504-M508 PolarHBondContact O-N 3.21Å; T504-M508 VanDerWaalsContact O-N 3.08Å; I505-M508 PolarHBondContact O-N 3.49Å; M508-Y511 PolarHBondContact O-N 2.82Å; M508-H512 PolarHBondContact O-N 3.5Å; M508-L550 HydrophobicContact CB-CB 4.46Å; M508-L550 HydrophobicContact CB-CD2 3.96Å; M508-I552 HydrophobicContact CE-CD1 3.22Å; M508-I552 HydrophobicContact CE-CG1 3.49Å; M508-I552 VanDerWaalsContact CE-CG1 3.49Å; M508-I552 HydrophobicContact SD-CD1 4.01Å; M508-I552 HydrophobicContact SD-CG1 3.9Å; M508-I552 HydrophobicContact SD-CG2 4.29Å
509	E	93.3	Very high	90.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.8	-46.5	172.9	-176.8	-169.8	-138.5	0	0	110.6	I505 D506 Y511 H512 L513 M547 L550 R1071 R1075	I505-E509 VanDerWaalsContact O-CB 3.3Å; I505-E509 WeakPolarHBondContact O-CB 3.38Å; I505-E509 PolarHBondContact O-N 3.06Å; D506-E509 PolarHBondContact O-N 3.27Å; E509-Y511 VanDerWaalsContact C-N 3.28Å; E509-Y511 PolarHBondContact O-N 2.8Å; E509-H512 PolarHBondContact O-N 3.49Å; E509-L513 HydrophobicContact CG-CD1 3.74Å; E509-L513 HydrophobicContact CG-CG 4.28Å; E509-L513 WeakPolarHBondContact O-CB 3.45Å; E509-L513 WeakPolarHBondContact O-CG 3.45Å; E509-L513 PolarHBondContact O-N 3.46Å; E509-M547 HydrophobicContact CG-CE 3.75Å; E509-M547 WeakPolarHBondContact OE1-CE 3.47Å; E509-L550 HydrophobicContact CB-CD1 3.93Å; E509-L550 HydrophobicContact CG-CD1 4.45Å; E509-R1071 IonicContact OE1-CZ 3.02Å; E509-R1071 IonicContact OE1-NE 3.06Å; E509-R1071 PolarHBondContact OE1-NE 3.24Å; E509-R1071 IonicContact OE1-NH2 3.17Å; E509-R1071 PolarHBondContact OE1-NH2 3.1Å; E509-R1071 IonicContact OE2-CZ 2.77Å; E509-R1071 IonicContact OE2-NE 3.64Å; E509-R1071 IonicContact OE2-NH2 2.7Å; E509-R1071 PolarHBondContact OE2-NH2 3.2Å; E509-R1075 IonicContact OE1-CZ 3.43Å; E509-R1075 IonicContact OE1-NE 3.16Å; E509-R1075 IonicContact OE1-NH1 2.68Å; E509-R1075 PolarHBondContact OE1-NH1 2.63Å; E509-R1075 IonicContact OE1-NH2 2.69Å; E509-R1075 IonicContact OE2-CZ 3.89Å; E509-R1075 VanDerWaalsContact OE2-CZ 3.22Å; E509-R1075 IonicContact OE2-NH1 3.99Å; E509-R1075 PolarHBondContact OE2-NH1 2.81Å; E509-R1075 IonicContact OE2-NH2 3.05Å; E509-R1075 PolarHBondContact OE2-NH2 3.28Å; E509-R1075 VanDerWaalsContact OE2-NH2 3.11Å
510	R	94.5	Very high	91.5	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.026	5%	0.047	C	C	.	.	H	α-helix	trans	-52.7	-47.4	173	-78.2	-179.4	174.5	-152.5	-5.8	111.7	V277 G279 K280 F281 G345 L471 D506 R507 L513 L514	V277-R510 PolarHBondContact O-NH2 3.14Å; G279-R510 WeakPolarHBondContact O-CD 3.41Å; G279-R510 PolarHBondContact O-NE 3.38Å; K280-R510 VanDerWaalsContact CA-NE 3.29Å; K280-R510 VanDerWaalsContact N-CZ 3.28Å; K280-R510 PolarHBondContact O-NE 3.32Å; K280-R510 PolarHBondContact O-NH2 3.06Å; F281-R510 HydrophobicContact CB-CB 4.48Å; F281-R510 HydrophobicContact CB-CG 3.88Å; G345-R510 PolarHBondContact O-NH1 2.81Å; L471-R510 HydrophobicContact CD1-CB 4.25Å; L471-R510 HydrophobicContact CD2-CB 4.05Å; D506-R510 WeakPolarHBondContact O-CG 3.42Å; D506-R510 PolarHBondContact O-N 2.86Å; R507-R510 WeakPolarHBondContact O-CB 3.31Å; R507-R510 PolarHBondContact O-N 3.19Å; R510-L513 PolarHBondContact O-N 3.02Å; R510-L514 WeakPolarHBondContact O-CB 3.32Å; R510-L514 VanDerWaalsContact O-CG 3.27Å; R510-L514 WeakPolarHBondContact O-CG 3.39Å; R510-L514 PolarHBondContact O-N 3.33Å
511	Y	94.7	Very high	92.1	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-65	-43.7	180	-171.1	-111.7	0	0	0	112.3	Y438 F440 I441 K455 V458 D459 I462 L471 R472 R507 M508 E509 I515	Y438-Y511 AromaticContact CD2-CD1 3.75Å; Y438-Y511 HydrophobicContact CD2-CD1 3.75Å; Y438-Y511 AromaticContact CD2-CE1 3.83Å; Y438-Y511 HydrophobicContact CD2-CE1 3.83Å; Y438-Y511 AromaticContact CE2-CD1 3.56Å; Y438-Y511 HydrophobicContact CE2-CD1 3.56Å; Y438-Y511 AromaticContact CE2-CE1 3.74Å; Y438-Y511 HydrophobicContact CE2-CE1 3.74Å; Y438-Y511 HydrophobicContact CE2-CG 4.25Å; F440-Y511 HydrophobicContact CZ-CD1 4.21Å; I441-Y511 HydrophobicContact CD1-CD1 4.01Å; I441-Y511 HydrophobicContact CD1-CE1 3.69Å; I441-Y511 HydrophobicContact CG1-CE1 4.13Å; K455-Y511 VanDerWaalsContact CE-OH 3.24Å; K455-Y511 WeakPolarHBondContact CE-OH 3.18Å; K455-Y511 PolarHBondContact NZ-OH 2.97Å; V458-Y511 HydrophobicContact CG1-CE2 4.17Å; D459-Y511 PolarHBondContact OD1-OH 3.22Å; I462-Y511 HydrophobicContact CD1-CD2 3.83Å; I462-Y511 HydrophobicContact CD1-CE2 3.82Å; L471-Y511 HydrophobicContact CD2-CD2 4.28Å; R472-Y511 HydrophobicContact CG-CE2 4.29Å; R507-Y511 PolarHBondContact O-N 3.12Å; R507-Y511 VanDerWaalsContact O-N 3.11Å; M508-Y511 PolarHBondContact O-N 2.82Å; E509-Y511 VanDerWaalsContact C-N 3.28Å; E509-Y511 PolarHBondContact O-N 2.8Å; Y511-I515 HydrophobicContact CD1-CD1 4.04Å; Y511-I515 HydrophobicContact CE1-CD1 3.73Å; Y511-I515 WeakPolarHBondContact O-CG1 3.42Å; Y511-I515 PolarHBondContact O-N 3.36Å
512	H	94.7	Very high	92.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.8	-50.1	175.6	174.7	66.6	0	0	0	112	F440 M508 E509 L514 I515 C516 L543 L550	F440-H512 HydrophobicContact CE2-CB 3.85Å; F440-H512 HydrophobicContact CZ-CB 4.5Å; M508-H512 PolarHBondContact O-N 3.5Å; E509-H512 PolarHBondContact O-N 3.49Å; H512-L514 PolarHBondContact O-N 3.22Å; H512-I515 WeakPolarHBondContact O-CB 3.46Å; H512-I515 PolarHBondContact O-N 2.63Å; H512-I515 VanDerWaalsContact O-N 3.16Å; H512-C516 PolarHBondContact O-N 3.47Å; H512-C516 PolarHBondContact O-SG 2.58Å; H512-C516 VanDerWaalsContact O-SG 3.39Å; H512-L543 PolarHBondContact CE1-O 2.69Å; H512-L543 PolarHBondContact NE2-O 2.91Å; H512-L550 HydrophobicContact CB-CD2 4.14Å
513	L	95.7	Very high	92.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-72.5	-28.2	-176.7	-67.5	175.5	0	0	0	113.1	F281 E509 R510 I515 C516 F517 M537	F281-L513 HydrophobicContact CB-CB 4.45Å; F281-L513 HydrophobicContact CB-CD1 3.9Å; F281-L513 HydrophobicContact CD1-CB 3.65Å; F281-L513 HydrophobicContact CD1-CD1 3.45Å; F281-L513 VanDerWaalsContact CD1-CD1 3.45Å; F281-L513 HydrophobicContact CD1-CG 4.18Å; F281-L513 HydrophobicContact CD2-CB 3.88Å; F281-L513 HydrophobicContact CE1-CB 3.76Å; F281-L513 HydrophobicContact CE1-CD1 4.18Å; F281-L513 HydrophobicContact CE2-CB 3.98Å; F281-L513 HydrophobicContact CG-CB 3.72Å; F281-L513 HydrophobicContact CG-CD1 3.8Å; F281-L513 HydrophobicContact CG-CG 4.42Å; F281-L513 HydrophobicContact CZ-CB 3.93Å; E509-L513 HydrophobicContact CG-CD1 3.74Å; E509-L513 HydrophobicContact CG-CG 4.28Å; E509-L513 WeakPolarHBondContact O-CB 3.45Å; E509-L513 WeakPolarHBondContact O-CG 3.45Å; E509-L513 PolarHBondContact O-N 3.46Å; R510-L513 PolarHBondContact O-N 3.02Å; L513-I515 VanDerWaalsContact C-N 3.3Å; L513-I515 PolarHBondContact O-N 3.06Å; L513-C516 PolarHBondContact O-N 3.25Å; L513-F517 VanDerWaalsContact O-CB 3.28Å; L513-F517 WeakPolarHBondContact O-CB 2.98Å; L513-F517 PolarHBondContact O-N 3.18Å; L513-M537 HydrophobicContact CD2-CE 3.88Å
514	L	96.6	Very high	92.9	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.016	5%	0.051	C	C	.	.	H	α-helix	trans	-62.3	-38	168.8	-81.5	171.2	0	0	0	112.2	F281 L349 V352 M353 L356 V458 L471 R510 H512 F517 N518	F281-L514 HydrophobicContact CD2-CG 4.42Å; F281-L514 HydrophobicContact CE2-CD2 4.05Å; F281-L514 HydrophobicContact CE2-CG 4.05Å; L349-L514 HydrophobicContact CD1-CD1 4.09Å; L349-L514 HydrophobicContact CD1-CD2 3.83Å; L349-L514 HydrophobicContact CD1-CG 4.09Å; V352-L514 HydrophobicContact CG1-CD1 4.1Å; V352-L514 HydrophobicContact CG1-CD2 3.86Å; M353-L514 HydrophobicContact CG-CD2 4.08Å; L356-L514 HydrophobicContact CD1-CD2 4.31Å; V458-L514 HydrophobicContact CG1-CB 4.04Å; L471-L514 HydrophobicContact CD2-CD1 4.05Å; R510-L514 WeakPolarHBondContact O-CB 3.32Å; R510-L514 VanDerWaalsContact O-CG 3.27Å; R510-L514 WeakPolarHBondContact O-CG 3.39Å; R510-L514 PolarHBondContact O-N 3.33Å; H512-L514 PolarHBondContact O-N 3.22Å; L514-F517 PolarHBondContact O-N 3.37Å; L514-N518 PolarHBondContact O-N 2.84Å
515	I	95.6	Very high	92.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.4	-44.1	175	-64.4	168.3	0	0	0	110.5	I441 L444 L448 M451 I454 K455 V458 Y511 H512 L513 F517 N518 A519	I441-I515 HydrophobicContact CD1-CD1 3.35Å; L444-I515 HydrophobicContact CD2-CB 4.15Å; L444-I515 HydrophobicContact CD2-CD1 4.42Å; L444-I515 HydrophobicContact CD2-CG2 3.65Å; L448-I515 HydrophobicContact CD1-CG2 4.35Å; M451-I515 HydrophobicContact CE-CD1 4.09Å; M451-I515 HydrophobicContact CE-CG2 3.88Å; M451-I515 HydrophobicContact SD-CG2 3.72Å; I454-I515 HydrophobicContact CG2-CG2 4.01Å; K455-I515 HydrophobicContact CG-CD1 4.45Å; V458-I515 HydrophobicContact CB-CG1 4.41Å; V458-I515 HydrophobicContact CG1-CG1 4.25Å; V458-I515 HydrophobicContact CG2-CG1 4.22Å; Y511-I515 HydrophobicContact CD1-CD1 4.04Å; Y511-I515 HydrophobicContact CE1-CD1 3.73Å; Y511-I515 WeakPolarHBondContact O-CG1 3.42Å; Y511-I515 PolarHBondContact O-N 3.36Å; H512-I515 WeakPolarHBondContact O-CB 3.46Å; H512-I515 PolarHBondContact O-N 2.63Å; H512-I515 VanDerWaalsContact O-N 3.16Å; L513-I515 VanDerWaalsContact C-N 3.3Å; L513-I515 PolarHBondContact O-N 3.06Å; I515-F517 VanDerWaalsContact C-N 3.3Å; I515-F517 PolarHBondContact O-N 2.91Å; I515-N518 PolarHBondContact O-N 3.36Å; I515-A519 WeakPolarHBondContact O-CB 3.09Å; I515-A519 PolarHBondContact O-N 2.69Å
516	C	95.6	Very high	92.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.2	-42.7	173.8	-63.4	0	0	0	0	111.6	H512 L513 A519 Y520 F533 W536 M537 L543	H512-C516 PolarHBondContact O-N 3.47Å; H512-C516 PolarHBondContact O-SG 2.58Å; H512-C516 VanDerWaalsContact O-SG 3.39Å; L513-C516 PolarHBondContact O-N 3.25Å; C516-A519 PolarHBondContact O-N 3.33Å; C516-Y520 WeakPolarHBondContact O-CB 3.2Å; C516-Y520 PolarHBondContact O-N 3.15Å; C516-F533 HydrophobicContact CB-CZ 4.48Å; C516-W536 HydrophobicContact CB-CZ3 4.38Å; C516-W536 WeakPolarHBondContact O-CH2 3.46Å; C516-W536 WeakPolarHBondContact O-CZ3 3.3Å; C516-M537 HydrophobicContact CB-SD 3.85Å; C516-L543 HydrophobicContact CB-CD1 4.43Å
517	F	96.7	Very high	92.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-45.7	176.5	178.2	-107.8	0	0	0	111.9	V287 F290 I291 M353 L356 L513 L514 I515 A519 Y520 L521 F533	V287-F517 HydrophobicContact CG1-CD2 3.72Å; V287-F517 HydrophobicContact CG1-CE2 3.74Å; F290-F517 HydrophobicContact CD1-CE2 4.48Å; F290-F517 HydrophobicContact CD1-CZ 4.19Å; F290-F517 AromaticContact CE1-CZ 3.83Å; F290-F517 HydrophobicContact CE1-CZ 3.83Å; I291-F517 HydrophobicContact CD1-CE2 3.6Å; I291-F517 HydrophobicContact CD1-CZ 4.01Å; I291-F517 HydrophobicContact CG1-CE2 4.26Å; M353-F517 HydrophobicContact CB-CE1 4.12Å; M353-F517 HydrophobicContact CE-CD2 4.23Å; M353-F517 HydrophobicContact CE-CE1 4.22Å; M353-F517 HydrophobicContact CE-CE2 3.93Å; M353-F517 HydrophobicContact CE-CZ 3.95Å; M353-F517 HydrophobicContact CG-CD1 4.35Å; M353-F517 HydrophobicContact CG-CE1 4.22Å; L356-F517 HydrophobicContact CB-CE1 4.34Å; L356-F517 HydrophobicContact CD1-CD1 4.12Å; L513-F517 VanDerWaalsContact O-CB 3.28Å; L513-F517 WeakPolarHBondContact O-CB 2.98Å; L513-F517 PolarHBondContact O-N 3.18Å; L514-F517 PolarHBondContact O-N 3.37Å; I515-F517 VanDerWaalsContact C-N 3.3Å; I515-F517 PolarHBondContact O-N 2.91Å; F517-A519 PolarHBondContact O-N 2.87Å; F517-Y520 WeakPolarHBondContact O-CB 3.32Å; F517-Y520 PolarHBondContact O-N 3.13Å; F517-L521 HydrophobicContact CD1-CD1 4.1Å; F517-L521 HydrophobicContact CD1-CG 4.49Å; F517-L521 HydrophobicContact CE1-CD1 3.53Å; F517-L521 HydrophobicContact CE1-CD2 4.49Å; F517-L521 HydrophobicContact CE1-CG 4.07Å; F517-L521 HydrophobicContact CE2-CD2 4.34Å; F517-L521 HydrophobicContact CE2-CG 4.42Å; F517-L521 HydrophobicContact CZ-CD1 3.86Å; F517-L521 HydrophobicContact CZ-CD2 3.97Å; F517-L521 HydrophobicContact CZ-CG 4Å; F517-L521 WeakPolarHBondContact O-CG 3.49Å; F517-L521 PolarHBondContact O-N 2.92Å; F517-F533 HydrophobicContact CB-CE2 4.31Å; F517-F533 HydrophobicContact CD2-CD2 4.43Å; F517-F533 HydrophobicContact CD2-CE2 4.46Å
518	N	95.4	Very high	91.7	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-37.9	177.1	-164.4	36	0	0	0	112	L356 I454 E457 V458 L514 I515 Y520 L521 H522	L356-N518 HydrophobicContact CD1-CB 4.18Å; L356-N518 HydrophobicContact CD2-CB 4.31Å; I454-N518 HydrophobicContact CG2-CB 3.84Å; I454-N518 PolarHBondContact O-ND2 3.25Å; I454-N518 VanDerWaalsContact O-ND2 3.09Å; E457-N518 WeakPolarHBondContact CB-ND2 3.15Å; E457-N518 PolarHBondContact OE2-ND2 2.99Å; V458-N518 HydrophobicContact CG2-CB 3.7Å; L514-N518 PolarHBondContact O-N 2.84Å; I515-N518 PolarHBondContact O-N 3.36Å; N518-Y520 VanDerWaalsContact C-N 3.34Å; N518-Y520 PolarHBondContact O-N 3.19Å; N518-L521 PolarHBondContact O-N 2.94Å; N518-H522 PolarHBondContact O-CD2 3.11Å; N518-H522 VanDerWaalsContact O-CD2 3.29Å; N518-H522 PolarHBondContact O-N 3.46Å
519	A	94.1	Very high	91.6	Very high	8 Å²	8	25.6 Å²	25.6	7%	0.066	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-43	173.1	0	0	0	0	0	112	L448 I454 I515 C516 F517 H522 E523 W536	L448-A519 HydrophobicContact CD1-CB 4.01Å; L448-A519 HydrophobicContact CD2-CB 4.38Å; I454-A519 HydrophobicContact CD1-CB 3.9Å; I454-A519 HydrophobicContact CG2-CB 4.29Å; I515-A519 WeakPolarHBondContact O-CB 3.09Å; I515-A519 PolarHBondContact O-N 2.69Å; C516-A519 PolarHBondContact O-N 3.33Å; F517-A519 PolarHBondContact O-N 2.87Å; A519-H522 PolarHBondContact O-N 3.48Å; A519-E523 PolarHBondContact O-N 3.32Å; A519-W536 HydrophobicContact CB-CH2 4.01Å; A519-W536 HydrophobicContact CB-CZ2 4.38Å
520	Y	95.1	Very high	91.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-45.6	172.5	168.2	-94.6	0	0	0	111.8	I291 C516 F517 N518 H522 E523 Q524 F529 E531 F533 W536	I291-Y520 HydrophobicContact CD1-CD1 4.41Å; I291-Y520 HydrophobicContact CD1-CE1 3.78Å; I291-Y520 HydrophobicContact CG1-CE1 3.83Å; I291-Y520 HydrophobicContact CG2-CE1 4.26Å; C516-Y520 WeakPolarHBondContact O-CB 3.2Å; C516-Y520 PolarHBondContact O-N 3.15Å; F517-Y520 WeakPolarHBondContact O-CB 3.32Å; F517-Y520 PolarHBondContact O-N 3.13Å; N518-Y520 VanDerWaalsContact C-N 3.34Å; N518-Y520 PolarHBondContact O-N 3.19Å; Y520-H522 PolarHBondContact O-N 2.87Å; Y520-E523 PolarHBondContact O-N 2.86Å; Y520-Q524 HydrophobicContact CD2-CB 4.18Å; Y520-Q524 HydrophobicContact CD2-CG 3.66Å; Y520-Q524 HydrophobicContact CE1-CB 4.23Å; Y520-Q524 HydrophobicContact CE2-CB 3.82Å; Y520-Q524 HydrophobicContact CE2-CG 3.41Å; Y520-Q524 VanDerWaalsContact CE2-CG 3.41Å; Y520-Q524 HydrophobicContact CG-CG 4.42Å; Y520-Q524 WeakPolarHBondContact O-CB 3.1Å; Y520-Q524 PolarHBondContact O-N 3.04Å; Y520-F529 AromaticContact CE1-CD1 3.75Å; Y520-F529 HydrophobicContact CE1-CD1 3.75Å; Y520-F529 AromaticContact CE1-CE1 3.88Å; Y520-F529 HydrophobicContact CE1-CE1 3.88Å; Y520-F529 AromaticContact CZ-CD1 3.91Å; Y520-F529 WeakPolarHBondContact OH-CD1 3.4Å; Y520-E531 WeakPolarHBondContact CE2-O 3.47Å; Y520-E531 PolarHBondContact OH-O 2.86Å; Y520-F533 HydrophobicContact CD1-CD2 4.05Å; Y520-F533 HydrophobicContact CD2-CB 4.4Å; Y520-F533 AromaticContact CD2-CD2 3.98Å; Y520-F533 HydrophobicContact CD2-CD2 3.98Å; Y520-F533 HydrophobicContact CE1-CB 4.34Å; Y520-F533 HydrophobicContact CE2-CB 4.18Å; Y520-F533 AromaticContact CG-CD2 3.68Å; Y520-F533 HydrophobicContact CG-CD2 3.68Å; Y520-F533 HydrophobicContact CG-CE2 4.47Å; Y520-W536 HydrophobicContact CD2-CB 3.72Å; Y520-W536 AromaticContact CD2-CD2 3.7Å; Y520-W536 HydrophobicContact CD2-CD2 3.7Å; Y520-W536 HydrophobicContact CD2-CE3 4.01Å; Y520-W536 AromaticContact CD2-CG 3.58Å; Y520-W536 HydrophobicContact CD2-CG 3.58Å; Y520-W536 HydrophobicContact CE2-CB 3.9Å; Y520-W536 HydrophobicContact CE2-CG 4.19Å; Y520-W536 HydrophobicContact CG-CD2 4.4Å; Y520-W536 HydrophobicContact CG-CE3 4.41Å
521	L	93	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-44.4	177.2	-69.5	179.2	0	0	0	111.7	I291 L356 A357 A360 F517 N518 E523 M525 F529	I291-L521 HydrophobicContact CD1-CD2 4.06Å; L356-L521 HydrophobicContact CB-CD1 3.83Å; A357-L521 HydrophobicContact CB-CD1 4.47Å; A360-L521 HydrophobicContact CB-CB 4.18Å; A360-L521 HydrophobicContact CB-CD1 4.45Å; F517-L521 HydrophobicContact CD1-CD1 4.1Å; F517-L521 HydrophobicContact CD1-CG 4.49Å; F517-L521 HydrophobicContact CE1-CD1 3.53Å; F517-L521 HydrophobicContact CE1-CD2 4.49Å; F517-L521 HydrophobicContact CE1-CG 4.07Å; F517-L521 HydrophobicContact CE2-CD2 4.34Å; F517-L521 HydrophobicContact CE2-CG 4.42Å; F517-L521 HydrophobicContact CZ-CD1 3.86Å; F517-L521 HydrophobicContact CZ-CD2 3.97Å; F517-L521 HydrophobicContact CZ-CG 4Å; F517-L521 WeakPolarHBondContact O-CG 3.49Å; F517-L521 PolarHBondContact O-N 2.92Å; N518-L521 PolarHBondContact O-N 2.94Å; L521-E523 VanDerWaalsContact C-N 3.28Å; L521-E523 PolarHBondContact O-N 2.82Å; L521-M525 WeakPolarHBondContact O-CB 3.34Å; L521-M525 PolarHBondContact O-N 3.26Å; L521-F529 HydrophobicContact CD2-CE1 3.92Å; L521-F529 HydrophobicContact CD2-CZ 4.23Å
522	H	90.2	Very high	90.8	Very high	60 Å²	60	34.6 Å²	34.6	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-58.6	-39.5	177.6	-87.1	-78.9	0	0	0	113	E457 N518 A519 Y520	E457-H522 IonicContact OE1-CE1 2.71Å; E457-H522 IonicContact OE1-NE2 3.33Å; E457-H522 PolarHBondContact OE1-NE2 3.44Å; E457-H522 IonicContact OE2-CD2 3.32Å; E457-H522 IonicContact OE2-CE1 3.31Å; E457-H522 IonicContact OE2-NE2 2.65Å; E457-H522 PolarHBondContact OE2-NE2 2.88Å; N518-H522 PolarHBondContact O-CD2 3.11Å; N518-H522 VanDerWaalsContact O-CD2 3.29Å; N518-H522 PolarHBondContact O-N 3.46Å; A519-H522 PolarHBondContact O-N 3.48Å; Y520-H522 PolarHBondContact O-N 2.87Å
523	E	89.7	Confident	90.8	Very high	87 Å²	87	34.6 Å²	34.6	41%	0.407	17%	0.172	S	C	.	.	H	α-helix	trans	-79.4	-50.1	-178.8	-167.6	-173.9	134.6	0	0	112.4	A519 Y520 L521 W536	A519-E523 PolarHBondContact O-N 3.32Å; Y520-E523 PolarHBondContact O-N 2.86Å; L521-E523 VanDerWaalsContact C-N 3.28Å; L521-E523 PolarHBondContact O-N 2.82Å; E523-W536 VanDerWaalsContact CD-NE1 3.26Å; E523-W536 PolarHBondContact OE1-NE1 3.46Å; E523-W536 PolarHBondContact OE2-NE1 3.01Å
524	Q	90.5	Very high	90.7	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-91.6	-21.6	-166.6	-66.5	-66.8	-39.4	0	0	113.5	Y520 Q526 L527 R528 F529 S530 E531	Y520-Q524 HydrophobicContact CD2-CB 4.18Å; Y520-Q524 HydrophobicContact CD2-CG 3.66Å; Y520-Q524 HydrophobicContact CE1-CB 4.23Å; Y520-Q524 HydrophobicContact CE2-CB 3.82Å; Y520-Q524 HydrophobicContact CE2-CG 3.41Å; Y520-Q524 VanDerWaalsContact CE2-CG 3.41Å; Y520-Q524 HydrophobicContact CG-CG 4.42Å; Y520-Q524 WeakPolarHBondContact O-CB 3.1Å; Y520-Q524 PolarHBondContact O-N 3.04Å; Q524-Q526 VanDerWaalsContact C-N 3.28Å; Q524-Q526 PolarHBondContact O-N 3.48Å; Q524-L527 CarbonylContact O-C 3.18Å; Q524-L527 WeakPolarHBondContact O-CA 3.18Å; Q524-L527 PolarHBondContact O-N 3.34Å; Q524-R528 PolarHBondContact O-N 3.5Å; Q524-F529 HydrophobicContact CB-CD1 4.07Å; Q524-F529 PolarHBondContact O-N 3.25Å; Q524-S530 PolarHBondContact OE1-OG 2.85Å; Q524-S530 VanDerWaalsContact OE1-OG 3.06Å; Q524-E531 VanDerWaalsContact OE1-N 3.1Å
525	M	84.3	Confident	90.4	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.064	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.2	178	-167.7	79.3	174	0	0	111.6	C298 A360 L361 I364 L521 L527 R528 F529	C298-M525 VanDerWaalsContact SG-CE 3.54Å; A360-M525 HydrophobicContact CB-CG 4.32Å; L361-M525 HydrophobicContact CB-CE 3.54Å; L361-M525 HydrophobicContact CD1-CE 3.38Å; L361-M525 HydrophobicContact CG-CE 4.02Å; I364-M525 HydrophobicContact CD1-CB 3.99Å; I364-M525 HydrophobicContact CD1-CG 3.29Å; I364-M525 HydrophobicContact CG1-CG 4.47Å; L521-M525 WeakPolarHBondContact O-CB 3.34Å; L521-M525 PolarHBondContact O-N 3.26Å; M525-L527 VanDerWaalsContact C-N 3.29Å; M525-L527 PolarHBondContact O-N 2.9Å; M525-R528 PolarHBondContact O-N 3.44Å; M525-F529 HydrophobicContact SD-CE1 4.12Å; M525-F529 HydrophobicContact SD-CE2 3.71Å; M525-F529 HydrophobicContact SD-CZ 3.27Å; M525-F529 WeakPolarHBondContact SD-CZ 3.44Å
526	Q	80.7	Confident	90.3	Very high	147 Å²	147	37.4 Å²	37.4	69%	0.687	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.1	175.6	-59.6	-179.4	15.9	0	0	112.2	I364 Q524 R528	I364-Q526 HydrophobicContact CD1-CG 4.46Å; Q524-Q526 VanDerWaalsContact C-N 3.28Å; Q524-Q526 PolarHBondContact O-N 3.48Å; Q526-R528 VanDerWaalsContact C-N 3.31Å
527	L	84.3	Confident	90.2	Very high	97 Å²	97	37.4 Å²	37.4	51%	0.508	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8.4	178	-57.8	177.3	0	0	0	113.1	Q524 M525 F529 S530	Q524-L527 CarbonylContact O-C 3.18Å; Q524-L527 WeakPolarHBondContact O-CA 3.18Å; Q524-L527 PolarHBondContact O-N 3.34Å; M525-L527 VanDerWaalsContact C-N 3.29Å; M525-L527 PolarHBondContact O-N 2.9Å; L527-F529 VanDerWaalsContact C-N 3.27Å; L527-F529 PolarHBondContact O-N 2.98Å; L527-S530 PolarHBondContact O-N 2.92Å
528	R	81.6	Confident	89.9	Confident	102 Å²	102	39.2 Å²	39.2	39%	0.385	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.6	-176.6	-62.6	-176	158	152.7	2.1	114	P303 K304 Q524 M525 Q526	P303-R528 PolarHBondContact O-NH2 3.19Å; K304-R528 PolarHBondContact O-NH1 2.91Å; Q524-R528 PolarHBondContact O-N 3.5Å; M525-R528 PolarHBondContact O-N 3.44Å; Q526-R528 VanDerWaalsContact C-N 3.31Å
529	F	86.9	Confident	89.6	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	57.2	51	-179.6	-51	-71.4	0	0	0	112.1	I291 L294 R295 Y520 L521 Q524 M525 L527 E531	I291-F529 HydrophobicContact CD1-CE1 3.95Å; I291-F529 HydrophobicContact CD1-CZ 4.36Å; I291-F529 HydrophobicContact CG2-CB 3.92Å; I291-F529 HydrophobicContact CG2-CD1 3.48Å; I291-F529 VanDerWaalsContact CG2-CD1 3.48Å; I291-F529 HydrophobicContact CG2-CD2 4.17Å; I291-F529 HydrophobicContact CG2-CE1 3.9Å; I291-F529 HydrophobicContact CG2-CG 3.6Å; I291-F529 HydrophobicContact CG2-CZ 4.38Å; L294-F529 HydrophobicContact CB-CE2 4.23Å; L294-F529 HydrophobicContact CB-CZ 4.37Å; R295-F529 HydrophobicContact CB-CD2 3.81Å; R295-F529 HydrophobicContact CG-CD2 4.27Å; Y520-F529 AromaticContact CE1-CD1 3.75Å; Y520-F529 HydrophobicContact CE1-CD1 3.75Å; Y520-F529 AromaticContact CE1-CE1 3.88Å; Y520-F529 HydrophobicContact CE1-CE1 3.88Å; Y520-F529 AromaticContact CZ-CD1 3.91Å; Y520-F529 WeakPolarHBondContact OH-CD1 3.4Å; L521-F529 HydrophobicContact CD2-CE1 3.92Å; L521-F529 HydrophobicContact CD2-CZ 4.23Å; Q524-F529 HydrophobicContact CB-CD1 4.07Å; Q524-F529 PolarHBondContact O-N 3.25Å; M525-F529 HydrophobicContact SD-CE1 4.12Å; M525-F529 HydrophobicContact SD-CE2 3.71Å; M525-F529 HydrophobicContact SD-CZ 3.27Å; M525-F529 WeakPolarHBondContact SD-CZ 3.44Å; L527-F529 VanDerWaalsContact C-N 3.27Å; L527-F529 PolarHBondContact O-N 2.98Å; F529-E531 PolarHBondContact O-N 3.17Å
530	S	85.8	Confident	89.4	Confident	84 Å²	84	40 Å²	40	59%	0.587	20%	0.2	S	C	*	.	S	Bend	trans	-61.8	-32.6	175.8	50.8	0	0	0	0	112.7	Q524 L527	Q524-S530 PolarHBondContact OE1-OG 2.85Å; Q524-S530 VanDerWaalsContact OE1-OG 3.06Å; L527-S530 PolarHBondContact O-N 2.92Å
531	E	89.3	Confident	89	Confident	59 Å²	59	40.2 Å²	40.2	28%	0.276	20%	0.201	S	C	.	.	S	Bend	trans	-112.5	143.6	168.9	-61.9	-167.7	171.1	0	0	109.5	Y520 Q524 F529 H539	Y520-E531 WeakPolarHBondContact CE2-O 3.47Å; Y520-E531 PolarHBondContact OH-O 2.86Å; Q524-E531 VanDerWaalsContact OE1-N 3.1Å; F529-E531 PolarHBondContact O-N 3.17Å; E531-H539 IonicContact OE1-CE1 3.66Å; E531-H539 IonicContact OE1-ND1 3.19Å; E531-H539 IonicContact OE2-CE1 3.94Å; E531-H539 IonicContact OE2-ND1 2.58Å; E531-H539 PolarHBondContact OE2-ND1 3.36Å
532	N	92.2	Very high	88.7	Confident	53 Å²	53	41.2 Å²	41.2	28%	0.283	21%	0.205	S	C	.	.			trans	-76.7	164.8	171.4	71.7	-1.7	0	0	0	110.7	D288 T535 W536	D288-N532 HydrophobicContact CB-CB 4.44Å; D288-N532 WeakPolarHBondContact OD1-CB 3.4Å; D288-N532 PolarHBondContact OD2-ND2 2.74Å; N532-T535 PolarHBondContact O-N 3.32Å; N532-T535 WeakPolarHBondContact OD1-CA 3.46Å; N532-T535 WeakPolarHBondContact OD1-CB 3.37Å; N532-T535 PolarHBondContact OD1-N 2.87Å; N532-T535 PolarHBondContact OD1-OG1 2.93Å; N532-W536 VanDerWaalsContact O-CB 3.32Å; N532-W536 WeakPolarHBondContact O-CB 3.24Å; N532-W536 PolarHBondContact O-N 3.42Å
533	F	94.6	Very high	88.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-41.9	-177.9	178.3	-106.4	0	0	0	111.7	E284 V287 D288 C516 F517 Y520 T535 W536 M537	E284-F533 HydrophobicContact CB-CD1 4.13Å; E284-F533 HydrophobicContact CB-CE1 4.4Å; E284-F533 HydrophobicContact CG-CD1 4.11Å; E284-F533 HydrophobicContact CG-CE1 3.89Å; V287-F533 HydrophobicContact CB-CD1 3.75Å; V287-F533 HydrophobicContact CB-CE1 4.32Å; V287-F533 HydrophobicContact CB-CG 4.32Å; V287-F533 HydrophobicContact CG1-CB 3.9Å; V287-F533 HydrophobicContact CG1-CD1 3.59Å; V287-F533 HydrophobicContact CG1-CD2 4.42Å; V287-F533 HydrophobicContact CG1-CE1 4.18Å; V287-F533 HydrophobicContact CG1-CG 3.71Å; V287-F533 HydrophobicContact CG2-CD1 4.23Å; V287-F533 HydrophobicContact CG2-CE1 4.3Å; D288-F533 WeakPolarHBondContact OD1-CA 3.25Å; D288-F533 VanDerWaalsContact OD1-CB 3.28Å; D288-F533 WeakPolarHBondContact OD1-CB 3.45Å; D288-F533 PolarHBondContact OD1-N 3.35Å; C516-F533 HydrophobicContact CB-CZ 4.48Å; F517-F533 HydrophobicContact CB-CE2 4.31Å; F517-F533 HydrophobicContact CD2-CD2 4.43Å; F517-F533 HydrophobicContact CD2-CE2 4.46Å; Y520-F533 HydrophobicContact CD1-CD2 4.05Å; Y520-F533 HydrophobicContact CD2-CB 4.4Å; Y520-F533 AromaticContact CD2-CD2 3.98Å; Y520-F533 HydrophobicContact CD2-CD2 3.98Å; Y520-F533 HydrophobicContact CE1-CB 4.34Å; Y520-F533 HydrophobicContact CE2-CB 4.18Å; Y520-F533 AromaticContact CG-CD2 3.68Å; Y520-F533 HydrophobicContact CG-CD2 3.68Å; Y520-F533 HydrophobicContact CG-CE2 4.47Å; F533-T535 PolarHBondContact O-N 3.37Å; F533-W536 HydrophobicContact CD2-CE3 4.28Å; F533-W536 HydrophobicContact CE2-CE3 4.24Å; F533-W536 HydrophobicContact CE2-CZ3 4.21Å; F533-W536 PolarHBondContact O-N 3.09Å; F533-M537 HydrophobicContact CD1-CG 4.18Å; F533-M537 HydrophobicContact CD2-CG 4.22Å; F533-M537 HydrophobicContact CE1-CG 3.77Å; F533-M537 HydrophobicContact CE2-CG 3.8Å; F533-M537 HydrophobicContact CE2-SD 4.07Å; F533-M537 HydrophobicContact CG-CG 4.4Å; F533-M537 HydrophobicContact CZ-CG 3.57Å; F533-M537 HydrophobicContact CZ-SD 3.83Å; F533-M537 WeakPolarHBondContact O-CB 3.33Å; F533-M537 WeakPolarHBondContact O-CG 3.19Å; F533-M537 PolarHBondContact O-N 3.02Å
534	S	92.1	Very high	88.8	Confident	12 Å²	12	34.2 Å²	34.2	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-46.5	178.3	-55.1	0	0	0	0	112.3	E284 D288 M537 K538	E284-S534 VanDerWaalsContact C-OG 3.28Å; E284-S534 WeakPolarHBondContact CB-OG 3.26Å; E284-S534 PolarHBondContact O-OG 2.68Å; D288-S534 VanDerWaalsContact CG-OG 3.29Å; D288-S534 PolarHBondContact OD1-N 3.32Å; D288-S534 WeakPolarHBondContact OD2-CB 2.84Å; D288-S534 PolarHBondContact OD2-OG 3.3Å; S534-M537 PolarHBondContact O-N 3.35Å; S534-K538 WeakPolarHBondContact O-CB 3.44Å; S534-K538 VanDerWaalsContact O-CG 3.27Å; S534-K538 WeakPolarHBondContact O-CG 3.49Å; S534-K538 PolarHBondContact O-N 3.24Å
535	T	91.3	Very high	88.6	Confident	48 Å²	48	34.2 Å²	34.2	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-68.7	-41.2	179.5	-56.7	0	0	0	0	110.8	N532 F533 M537 K538 H539	N532-T535 PolarHBondContact O-N 3.32Å; N532-T535 WeakPolarHBondContact OD1-CA 3.46Å; N532-T535 WeakPolarHBondContact OD1-CB 3.37Å; N532-T535 PolarHBondContact OD1-N 2.87Å; N532-T535 PolarHBondContact OD1-OG1 2.93Å; F533-T535 PolarHBondContact O-N 3.37Å; T535-M537 PolarHBondContact O-N 3.33Å; T535-K538 PolarHBondContact O-N 3.4Å; T535-H539 WeakPolarHBondContact CG2-CE1 3.49Å; T535-H539 PolarHBondContact O-N 2.77Å; T535-H539 PolarHBondContact O-ND1 3.43Å
536	W	93.4	Very high	88.8	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.1	179.5	89	0	0	0	112.4	C516 A519 Y520 E523 N532 F533 K538 H539 Q540 L543	C516-W536 HydrophobicContact CB-CZ3 4.38Å; C516-W536 WeakPolarHBondContact O-CH2 3.46Å; C516-W536 WeakPolarHBondContact O-CZ3 3.3Å; A519-W536 HydrophobicContact CB-CH2 4.01Å; A519-W536 HydrophobicContact CB-CZ2 4.38Å; Y520-W536 HydrophobicContact CD2-CB 3.72Å; Y520-W536 AromaticContact CD2-CD2 3.7Å; Y520-W536 HydrophobicContact CD2-CD2 3.7Å; Y520-W536 HydrophobicContact CD2-CE3 4.01Å; Y520-W536 AromaticContact CD2-CG 3.58Å; Y520-W536 HydrophobicContact CD2-CG 3.58Å; Y520-W536 HydrophobicContact CE2-CB 3.9Å; Y520-W536 HydrophobicContact CE2-CG 4.19Å; Y520-W536 HydrophobicContact CG-CD2 4.4Å; Y520-W536 HydrophobicContact CG-CE3 4.41Å; E523-W536 VanDerWaalsContact CD-NE1 3.26Å; E523-W536 PolarHBondContact OE1-NE1 3.46Å; E523-W536 PolarHBondContact OE2-NE1 3.01Å; N532-W536 VanDerWaalsContact O-CB 3.32Å; N532-W536 WeakPolarHBondContact O-CB 3.24Å; N532-W536 PolarHBondContact O-N 3.42Å; F533-W536 HydrophobicContact CD2-CE3 4.28Å; F533-W536 HydrophobicContact CE2-CE3 4.24Å; F533-W536 HydrophobicContact CE2-CZ3 4.21Å; F533-W536 PolarHBondContact O-N 3.09Å; W536-K538 PolarHBondContact O-N 3.01Å; W536-H539 WeakPolarHBondContact O-CB 3.41Å; W536-H539 PolarHBondContact O-N 3.22Å; W536-Q540 PolarHBondContact O-N 2.89Å; W536-L543 HydrophobicContact CH2-CD1 3.84Å; W536-L543 HydrophobicContact CZ3-CD1 3.69Å
537	M	92.6	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-43.9	173.9	-78.8	-68.8	-67.3	0	0	111.3	L513 C516 F533 S534 T535 H539 Q540 L543 Y544	L513-M537 HydrophobicContact CD2-CE 3.88Å; C516-M537 HydrophobicContact CB-SD 3.85Å; F533-M537 HydrophobicContact CD1-CG 4.18Å; F533-M537 HydrophobicContact CD2-CG 4.22Å; F533-M537 HydrophobicContact CE1-CG 3.77Å; F533-M537 HydrophobicContact CE2-CG 3.8Å; F533-M537 HydrophobicContact CE2-SD 4.07Å; F533-M537 HydrophobicContact CG-CG 4.4Å; F533-M537 HydrophobicContact CZ-CG 3.57Å; F533-M537 HydrophobicContact CZ-SD 3.83Å; F533-M537 WeakPolarHBondContact O-CB 3.33Å; F533-M537 WeakPolarHBondContact O-CG 3.19Å; F533-M537 PolarHBondContact O-N 3.02Å; S534-M537 PolarHBondContact O-N 3.35Å; T535-M537 PolarHBondContact O-N 3.33Å; M537-H539 VanDerWaalsContact C-N 3.32Å; M537-H539 PolarHBondContact O-N 2.94Å; M537-Q540 CarbonylContact O-C 3.58Å; M537-Q540 VanDerWaalsContact O-C 3.28Å; M537-Q540 WeakPolarHBondContact O-CA 3.09Å; M537-Q540 PolarHBondContact O-N 3.42Å; M537-L543 HydrophobicContact CE-CB 4.04Å; M537-L543 HydrophobicContact CE-CD1 4.4Å; M537-L543 HydrophobicContact SD-CB 4.34Å; M537-L543 HydrophobicContact SD-CD1 3.61Å; M537-Y544 HydrophobicContact CB-CE2 4.17Å; M537-Y544 HydrophobicContact CE-CD1 4.47Å; M537-Y544 HydrophobicContact CE-CE1 4.1Å; M537-Y544 WeakPolarHBondContact O-CE2 2.88Å
538	K	90.7	Very high	89.1	Confident	37 Å²	37	22.7 Å²	22.7	16%	0.161	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-34.4	176.5	-73.7	173	-179.5	-169.6	0	113	S534 T535 W536 Q540 M1050 D1051 D1054	S534-K538 WeakPolarHBondContact O-CB 3.44Å; S534-K538 VanDerWaalsContact O-CG 3.27Å; S534-K538 WeakPolarHBondContact O-CG 3.49Å; S534-K538 PolarHBondContact O-N 3.24Å; T535-K538 PolarHBondContact O-N 3.4Å; W536-K538 PolarHBondContact O-N 3.01Å; K538-Q540 PolarHBondContact O-N 3.17Å; K538-M1050 HydrophobicContact CB-CB 4.1Å; K538-M1050 HydrophobicContact CG-CB 4.47Å; K538-M1050 VanDerWaalsContact O-CG 3.31Å; K538-M1050 WeakPolarHBondContact O-CG 3.39Å; K538-D1051 WeakPolarHBondContact CD-OD1 3.14Å; K538-D1051 IonicContact NZ-OD1 3.14Å; K538-D1051 PolarHBondContact NZ-OD1 3.43Å; K538-D1054 WeakPolarHBondContact CE-OD2 3.25Å; K538-D1054 IonicContact NZ-OD2 2.75Å; K538-D1054 PolarHBondContact NZ-OD2 2.7Å
539	H	89.7	Confident	89.3	Confident	9 Å²	9	18.5 Å²	18.5	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-15.4	172	-71.9	139.9	0	0	0	113.4	E531 T535 W536 M537 P541 T1044 H1045	E531-H539 IonicContact OE1-CE1 3.66Å; E531-H539 IonicContact OE1-ND1 3.19Å; E531-H539 IonicContact OE2-CE1 3.94Å; E531-H539 IonicContact OE2-ND1 2.58Å; E531-H539 PolarHBondContact OE2-ND1 3.36Å; T535-H539 WeakPolarHBondContact CG2-CE1 3.49Å; T535-H539 PolarHBondContact O-N 2.77Å; T535-H539 PolarHBondContact O-ND1 3.43Å; W536-H539 WeakPolarHBondContact O-CB 3.41Å; W536-H539 PolarHBondContact O-N 3.22Å; M537-H539 VanDerWaalsContact C-N 3.32Å; M537-H539 PolarHBondContact O-N 2.94Å; H539-P541 VanDerWaalsContact C-CD 3.44Å; H539-P541 VanDerWaalsContact O-CD 3.29Å; H539-P541 WeakPolarHBondContact O-CD 3.38Å; H539-T1044 PolarHBondContact O-OG1 3.05Å; H539-H1045 VanDerWaalsContact CB-CE1 3.44Å; H539-H1045 WeakPolarHBondContact CB-CE1 3.26Å; H539-H1045 AromaticContact CD2-CE1 3.89Å; H539-H1045 AromaticContact CD2-CG 3.81Å; H539-H1045 AromaticContact CD2-ND1 3.32Å; H539-H1045 PolarHBondContact CD2-ND1 3.31Å; H539-H1045 VanDerWaalsContact CD2-ND1 3.32Å; H539-H1045 AromaticContact CE1-ND1 3.88Å; H539-H1045 AromaticContact CG-CE1 3.5Å; H539-H1045 AromaticContact CG-ND1 3.39Å; H539-H1045 AromaticContact ND1-CE1 3.9Å; H539-H1045 AromaticContact ND1-ND1 3.74Å; H539-H1045 AromaticContact NE2-ND1 3.65Å
540	Q	89.1	Confident	89.2	Confident	17 Å²	17	18.1 Å²	18.1	8%	0.079	10%	0.099	C	C	.	.			trans	-121.3	69.1	-178.6	-59.4	-168	22.8	0	0	111.7	Y447 W536 M537 K538 R542 L543	Y447-Q540 HydrophobicContact CE1-CB 4.26Å; W536-Q540 PolarHBondContact O-N 2.89Å; M537-Q540 CarbonylContact O-C 3.58Å; M537-Q540 VanDerWaalsContact O-C 3.28Å; M537-Q540 WeakPolarHBondContact O-CA 3.09Å; M537-Q540 PolarHBondContact O-N 3.42Å; K538-Q540 PolarHBondContact O-N 3.17Å; Q540-R542 PolarHBondContact O-N 2.93Å; Q540-L543 HydrophobicContact CB-CD1 3.78Å; Q540-L543 HydrophobicContact CB-CG 3.89Å; Q540-L543 WeakPolarHBondContact O-CB 3.5Å; Q540-L543 PolarHBondContact O-N 3.41Å
541	P	86.2	Confident	89	Confident	5 Å²	5	14.8 Å²	14.8	3%	0.032	8%	0.075	C	C	.	.	H	α-helix	trans	-57.8	-26.1	-174.6	20.3	-31.9	0	0	0	114.3	H539 L543 Y544 Q545 I1040 T1044 M1050	H539-P541 VanDerWaalsContact C-CD 3.44Å; H539-P541 VanDerWaalsContact O-CD 3.29Å; H539-P541 WeakPolarHBondContact O-CD 3.38Å; P541-L543 PolarHBondContact O-N 3.47Å; P541-Y544 PolarHBondContact O-N 3.16Å; P541-Y544 VanDerWaalsContact O-N 3.16Å; P541-Q545 WeakPolarHBondContact O-CG 3.35Å; P541-Q545 PolarHBondContact O-N 3.18Å; P541-Q545 VanDerWaalsContact O-N 3.16Å; P541-I1040 HydrophobicContact CG-CG2 3.59Å; P541-T1044 HydrophobicContact CG-CG2 4.23Å; P541-M1050 HydrophobicContact CB-CE 3.33Å; P541-M1050 HydrophobicContact CB-SD 3.81Å; P541-M1050 HydrophobicContact CG-CE 3.72Å
542	R	87.9	Confident	88.3	Confident	21 Å²	21	12.1 Å²	12.1	8%	0.079	6%	0.063	C	C	.	.	H	α-helix	trans	-57.6	-32.7	176.3	-171.1	58.1	172.2	146.4	7.7	112.6	Y447 Q540 Y544 Q545 I546 E1037	Y447-R542 HydrophobicContact CD1-CB 4.22Å; Y447-R542 HydrophobicContact CD1-CG 4.21Å; Y447-R542 HydrophobicContact CD2-CB 3.82Å; Y447-R542 HydrophobicContact CD2-CG 3.57Å; Y447-R542 HydrophobicContact CE1-CB 3.97Å; Y447-R542 HydrophobicContact CE1-CG 4.46Å; Y447-R542 HydrophobicContact CE2-CB 3.53Å; Y447-R542 HydrophobicContact CE2-CG 3.84Å; Y447-R542 HydrophobicContact CG-CB 4.15Å; Y447-R542 HydrophobicContact CG-CG 3.76Å; Q540-R542 PolarHBondContact O-N 2.93Å; R542-Y544 VanDerWaalsContact C-N 3.34Å; R542-Y544 PolarHBondContact O-N 2.83Å; R542-Q545 PolarHBondContact O-N 2.82Å; R542-I546 HydrophobicContact CG-CD1 4.17Å; R542-I546 VanDerWaalsContact O-CG1 3.3Å; R542-I546 WeakPolarHBondContact O-CG1 3.38Å; R542-I546 PolarHBondContact O-N 3.09Å; R542-E1037 VanDerWaalsContact CD-OE1 3.29Å; R542-E1037 WeakPolarHBondContact CD-OE1 3.42Å; R542-E1037 IonicContact NE-OE1 2.74Å; R542-E1037 PolarHBondContact NE-OE1 3.34Å
543	L	91.2	Very high	87.3	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178.6	-61.6	-176.5	0	0	0	112.2	L444 Y447 L448 H512 C516 W536 M537 Q540 P541	L444-L543 HydrophobicContact CD1-CD2 3.49Å; L444-L543 VanDerWaalsContact CD1-CD2 3.49Å; Y447-L543 HydrophobicContact CD1-CD2 3.9Å; Y447-L543 HydrophobicContact CE1-CD2 3.97Å; Y447-L543 HydrophobicContact CE1-CG 4.17Å; L448-L543 HydrophobicContact CD1-CD2 4.32Å; L448-L543 HydrophobicContact CD2-CD2 4.11Å; L448-L543 HydrophobicContact CG-CD2 4.21Å; H512-L543 PolarHBondContact CE1-O 2.69Å; H512-L543 PolarHBondContact NE2-O 2.91Å; C516-L543 HydrophobicContact CB-CD1 4.43Å; W536-L543 HydrophobicContact CH2-CD1 3.84Å; W536-L543 HydrophobicContact CZ3-CD1 3.69Å; M537-L543 HydrophobicContact CE-CB 4.04Å; M537-L543 HydrophobicContact CE-CD1 4.4Å; M537-L543 HydrophobicContact SD-CB 4.34Å; M537-L543 HydrophobicContact SD-CD1 3.61Å; Q540-L543 HydrophobicContact CB-CD1 3.78Å; Q540-L543 HydrophobicContact CB-CG 3.89Å; Q540-L543 WeakPolarHBondContact O-CB 3.5Å; Q540-L543 PolarHBondContact O-N 3.41Å; P541-L543 PolarHBondContact O-N 3.47Å
544	Y	90.7	Very high	86.3	Confident	1 Å²	1	11 Å²	11	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-70.6	-40.8	172.2	-65.6	-72.9	0	0	0	111.7	E284 M537 P541 R542 I546 M547 I1070 R1071 W1074	E284-Y544 VanDerWaalsContact OE1-CE1 3.24Å; E284-Y544 WeakPolarHBondContact OE1-CE1 3.46Å; E284-Y544 PolarHBondContact OE1-OH 3.24Å; E284-Y544 PolarHBondContact OE2-OH 3.33Å; M537-Y544 HydrophobicContact CB-CE2 4.17Å; M537-Y544 HydrophobicContact CE-CD1 4.47Å; M537-Y544 HydrophobicContact CE-CE1 4.1Å; M537-Y544 WeakPolarHBondContact O-CE2 2.88Å; P541-Y544 PolarHBondContact O-N 3.16Å; P541-Y544 VanDerWaalsContact O-N 3.16Å; R542-Y544 VanDerWaalsContact C-N 3.34Å; R542-Y544 PolarHBondContact O-N 2.83Å; Y544-I546 VanDerWaalsContact C-N 3.25Å; Y544-I546 PolarHBondContact O-N 3.21Å; Y544-M547 HydrophobicContact CD1-SD 4.11Å; Y544-M547 WeakPolarHBondContact O-CB 3.34Å; Y544-M547 VanDerWaalsContact O-CG 3.28Å; Y544-M547 WeakPolarHBondContact O-CG 3.21Å; Y544-M547 PolarHBondContact O-N 3.23Å; Y544-I1070 HydrophobicContact CD1-CG1 4.45Å; Y544-I1070 HydrophobicContact CD1-CG2 3.88Å; Y544-I1070 HydrophobicContact CD2-CD1 4.02Å; Y544-I1070 HydrophobicContact CD2-CG2 4.39Å; Y544-I1070 HydrophobicContact CE1-CG2 3.65Å; Y544-I1070 HydrophobicContact CE2-CG2 4.19Å; Y544-I1070 HydrophobicContact CG-CD1 4.11Å; Y544-I1070 HydrophobicContact CG-CG1 4.2Å; Y544-I1070 HydrophobicContact CG-CG2 4.23Å; Y544-R1071 HydrophobicContact CD1-CB 4.42Å; Y544-R1071 HydrophobicContact CE1-CB 4.25Å; Y544-W1074 VanDerWaalsContact CB-CE3 3.42Å
545	Q	86.9	Confident	85.4	Confident	3 Å²	3	12.8 Å²	12.8	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-63.3	-33.5	-178.3	-62.8	175.4	-6.4	0	0	112.6	P541 R542 M547 D548 H815 P818 W1074	P541-Q545 WeakPolarHBondContact O-CG 3.35Å; P541-Q545 PolarHBondContact O-N 3.18Å; P541-Q545 VanDerWaalsContact O-N 3.16Å; R542-Q545 PolarHBondContact O-N 2.82Å; Q545-M547 PolarHBondContact O-N 3.32Å; Q545-D548 WeakPolarHBondContact O-CB 3.32Å; Q545-D548 PolarHBondContact O-N 2.85Å; Q545-H815 WeakPolarHBondContact CG-NE2 3.42Å; Q545-P818 VanDerWaalsContact CD-CD 3.48Å; Q545-P818 VanDerWaalsContact NE2-CG 3.29Å; Q545-W1074 HydrophobicContact CB-CZ3 4.4Å; Q545-W1074 HydrophobicContact CG-CE3 3.96Å; Q545-W1074 HydrophobicContact CG-CH2 4.17Å; Q545-W1074 HydrophobicContact CG-CZ3 3.44Å; Q545-W1074 VanDerWaalsContact CG-CZ3 3.44Å
546	I	88.6	Confident	84.5	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-63.4	-21.5	176.6	-70.6	165.6	0	0	0	111.4	F440 Q443 L444 R542 Y544 D548 F549	F440-I546 HydrophobicContact CB-CG2 4Å; F440-I546 HydrophobicContact CD2-CG2 4.32Å; Q443-I546 HydrophobicContact CB-CD1 4.48Å; Q443-I546 HydrophobicContact CB-CG1 4.36Å; L444-I546 HydrophobicContact CB-CD1 4.26Å; L444-I546 HydrophobicContact CD1-CD1 3.86Å; R542-I546 HydrophobicContact CG-CD1 4.17Å; R542-I546 VanDerWaalsContact O-CG1 3.3Å; R542-I546 WeakPolarHBondContact O-CG1 3.38Å; R542-I546 PolarHBondContact O-N 3.09Å; Y544-I546 VanDerWaalsContact C-N 3.25Å; Y544-I546 PolarHBondContact O-N 3.21Å; I546-D548 PolarHBondContact O-N 2.74Å; I546-F549 HydrophobicContact CB-CD2 4.44Å; I546-F549 HydrophobicContact CG1-CD2 4.4Å; I546-F549 HydrophobicContact CG1-CE2 4.45Å; I546-F549 HydrophobicContact CG2-CD2 4.48Å; I546-F549 WeakPolarHBondContact O-CA 3.35Å; I546-F549 WeakPolarHBondContact O-CB 3.48Å; I546-F549 PolarHBondContact O-N 3.19Å
547	M	87.9	Confident	83.4	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-63.3	-29.1	177.4	-58.4	-179.5	66.1	0	0	112.5	E509 Y544 Q545 F549 L550 R1071 W1074 P1076	E509-M547 HydrophobicContact CG-CE 3.75Å; E509-M547 WeakPolarHBondContact OE1-CE 3.47Å; Y544-M547 HydrophobicContact CD1-SD 4.11Å; Y544-M547 WeakPolarHBondContact O-CB 3.34Å; Y544-M547 VanDerWaalsContact O-CG 3.28Å; Y544-M547 WeakPolarHBondContact O-CG 3.21Å; Y544-M547 PolarHBondContact O-N 3.23Å; Q545-M547 PolarHBondContact O-N 3.32Å; M547-F549 PolarHBondContact O-N 3.4Å; M547-F549 VanDerWaalsContact O-N 3.13Å; M547-L550 HydrophobicContact CB-CD1 4.05Å; M547-L550 HydrophobicContact CG-CD1 4.49Å; M547-L550 WeakPolarHBondContact O-CB 3.49Å; M547-L550 WeakPolarHBondContact O-CD1 3.49Å; M547-L550 WeakPolarHBondContact O-CG 2.74Å; M547-L550 PolarHBondContact O-N 3.07Å; M547-L550 VanDerWaalsContact O-N 3.1Å; M547-R1071 HydrophobicContact CE-CG 3.59Å; M547-R1071 HydrophobicContact SD-CG 4.07Å; M547-W1074 CarbonylContact C-O 3.19Å; M547-P1076 WeakPolarHBondContact O-CD 3.31Å
548	D	83.1	Confident	82.6	Confident	15 Å²	15	15.1 Å²	15.1	8%	0.08	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-63.9	-18.4	174	-166.9	40.3	0	0	0	112.1	Q545 I546 R695 W1074	Q545-D548 WeakPolarHBondContact O-CB 3.32Å; Q545-D548 PolarHBondContact O-N 2.85Å; I546-D548 PolarHBondContact O-N 2.74Å; D548-R695 VanDerWaalsContact CG-NH1 3.31Å; D548-R695 WeakPolarHBondContact O-CD 3.45Å; D548-R695 WeakPolarHBondContact OD1-CD 3.43Å; D548-R695 IonicContact OD1-CZ 3.29Å; D548-R695 IonicContact OD1-NE 3.03Å; D548-R695 IonicContact OD1-NH1 2.67Å; D548-R695 PolarHBondContact OD1-NH1 3.49Å; D548-R695 IonicContact OD2-NH1 3.59Å; D548-R695 PolarHBondContact OD2-NH1 3.17Å; D548-R695 VanDerWaalsContact OD2-NH1 3.16Å; D548-W1074 WeakPolarHBondContact CA-O 3.36Å; D548-W1074 PolarHBondContact N-O 3.18Å
549	F	84.6	Confident	82	Confident	13 Å²	13	14.5 Å²	14.5	6%	0.057	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-95.1	6.8	179.1	-46.2	-31	0	0	0	113.3	F440 Q443 I546 M547 D551 R695 G696	F440-F549 HydrophobicContact CB-CB 3.97Å; Q443-F549 HydrophobicContact CB-CD2 4.46Å; Q443-F549 HydrophobicContact CG-CD2 4.15Å; Q443-F549 HydrophobicContact CG-CE2 4.38Å; I546-F549 HydrophobicContact CB-CD2 4.44Å; I546-F549 HydrophobicContact CG1-CD2 4.4Å; I546-F549 HydrophobicContact CG1-CE2 4.45Å; I546-F549 HydrophobicContact CG2-CD2 4.48Å; I546-F549 WeakPolarHBondContact O-CA 3.35Å; I546-F549 WeakPolarHBondContact O-CB 3.48Å; I546-F549 PolarHBondContact O-N 3.19Å; M547-F549 PolarHBondContact O-N 3.4Å; M547-F549 VanDerWaalsContact O-N 3.13Å; F549-D551 PolarHBondContact O-N 3.15Å; F549-R695 HydrophobicContact CD1-CB 4Å; F549-G696 VanDerWaalsContact CD1-N 3.28Å
550	L	85.8	Confident	81.3	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.			trans	-68.6	-24.7	175.6	-64.4	171.6	0	0	0	111.8	F440 I505 M508 E509 H512 M547 I552 P1076	F440-L550 HydrophobicContact CD1-CD2 3.89Å; F440-L550 HydrophobicContact CD2-CD2 4.06Å; F440-L550 HydrophobicContact CE1-CD2 3.79Å; F440-L550 HydrophobicContact CE2-CD2 3.97Å; F440-L550 HydrophobicContact CG-CD2 4.03Å; F440-L550 HydrophobicContact CZ-CD2 3.83Å; I505-L550 HydrophobicContact CD1-CB 4.37Å; M508-L550 HydrophobicContact CB-CB 4.46Å; M508-L550 HydrophobicContact CB-CD2 3.96Å; E509-L550 HydrophobicContact CB-CD1 3.93Å; E509-L550 HydrophobicContact CG-CD1 4.45Å; H512-L550 HydrophobicContact CB-CD2 4.14Å; M547-L550 HydrophobicContact CB-CD1 4.05Å; M547-L550 HydrophobicContact CG-CD1 4.49Å; M547-L550 WeakPolarHBondContact O-CB 3.49Å; M547-L550 WeakPolarHBondContact O-CD1 3.49Å; M547-L550 WeakPolarHBondContact O-CG 2.74Å; M547-L550 PolarHBondContact O-N 3.07Å; M547-L550 VanDerWaalsContact O-N 3.1Å; L550-I552 PolarHBondContact O-N 3.24Å; L550-P1076 HydrophobicContact CB-CG 4.16Å
551	D	80.7	Confident	80.5	Confident	13 Å²	13	14.8 Å²	14.8	7%	0.07	8%	0.075	C	C	.	.			trans	-70.1	103.2	171.1	-177.7	10.3	0	0	0	110.4	I505 F549 C553 P1076	I505-D551 HydrophobicContact CD1-CB 4.33Å; F549-D551 PolarHBondContact O-N 3.15Å; D551-C553 VanDerWaalsContact OD1-CB 3.24Å; D551-C553 WeakPolarHBondContact OD1-CB 3.3Å; D551-C553 PolarHBondContact OD1-N 3.1Å; D551-C553 PolarHBondContact OD1-SG 2.73Å; D551-P1076 HydrophobicContact CB-CB 3.91Å; D551-P1076 HydrophobicContact CB-CG 4.04Å
552	I	74.9	Confident	80.2	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.077	C	C	.	.			trans	-100.9	1.3	177.6	64.8	163.9	0	0	0	113.2	L433 Y438 I479 M508 L550 E554 W555 Y556	L433-I552 HydrophobicContact CD2-CD1 3.83Å; Y438-I552 HydrophobicContact CD1-CD1 4.26Å; I479-I552 HydrophobicContact CD1-CD1 3.84Å; M508-I552 HydrophobicContact CE-CD1 3.22Å; M508-I552 HydrophobicContact CE-CG1 3.49Å; M508-I552 VanDerWaalsContact CE-CG1 3.49Å; M508-I552 HydrophobicContact SD-CD1 4.01Å; M508-I552 HydrophobicContact SD-CG1 3.9Å; M508-I552 HydrophobicContact SD-CG2 4.29Å; L550-I552 PolarHBondContact O-N 3.24Å; I552-E554 VanDerWaalsContact C-N 3.26Å; I552-E554 PolarHBondContact O-N 3.37Å; I552-W555 WeakPolarHBondContact O-CB 3.24Å; I552-W555 PolarHBondContact O-N 2.86Å; I552-Y556 HydrophobicContact CB-CD2 4.37Å; I552-Y556 HydrophobicContact CB-CE2 3.96Å; I552-Y556 HydrophobicContact CD1-CD2 4.26Å; I552-Y556 HydrophobicContact CD1-CE2 3.77Å; I552-Y556 HydrophobicContact CG1-CE2 4.26Å; I552-Y556 WeakPolarHBondContact O-CD2 3.34Å
553	C	70.6	Confident	79.6	Confident	13 Å²	13	19.1 Å²	19.1	9%	0.088	10%	0.095	C	C	.	.	H	α-helix	trans	-56	-45.2	-169.1	-62.1	0	0	0	0	110.6	D551 W555 T557 A1083	D551-C553 VanDerWaalsContact OD1-CB 3.24Å; D551-C553 WeakPolarHBondContact OD1-CB 3.3Å; D551-C553 PolarHBondContact OD1-N 3.1Å; D551-C553 PolarHBondContact OD1-SG 2.73Å; C553-W555 PolarHBondContact O-N 2.77Å; C553-T557 PolarHBondContact O-OG1 3.31Å; C553-A1083 HydrophobicContact CB-CB 3.5Å; C553-A1083 WeakPolarHBondContact O-CB 3.07Å
554	E	74.5	Confident	78.7	Confident	15 Å²	15	24.2 Å²	24.2	7%	0.07	12%	0.115	C	C	.	.	H	α-helix	trans	-76.6	-17.2	-177.6	-63	-58.3	159.7	0	0	115.2	I552 Y556 T557 R567 I692 L694 H1081 A1083	I552-E554 VanDerWaalsContact C-N 3.26Å; I552-E554 PolarHBondContact O-N 3.37Å; E554-Y556 PolarHBondContact O-N 2.8Å; E554-T557 WeakPolarHBondContact CA-OG1 3.48Å; E554-T557 PolarHBondContact O-OG1 3.39Å; E554-T557 PolarHBondContact OE2-OG1 3.29Å; E554-R567 IonicContact OE1-CZ 3.78Å; E554-R567 IonicContact OE1-NH2 2.76Å; E554-R567 PolarHBondContact OE1-NH2 3.1Å; E554-R567 IonicContact OE2-NH2 3.96Å; E554-R567 PolarHBondContact OE2-NH2 3.13Å; E554-I692 HydrophobicContact CB-CG2 4.29Å; E554-I692 HydrophobicContact CG-CG2 3.52Å; E554-I692 WeakPolarHBondContact OE2-CG2 3.06Å; E554-L694 HydrophobicContact CB-CD2 3.72Å; E554-H1081 VanDerWaalsContact OE1-CB 3.25Å; E554-H1081 WeakPolarHBondContact OE1-CB 3.28Å; E554-H1081 IonicContact OE1-CG 3.71Å; E554-A1083 HydrophobicContact CG-CB 4.46Å; E554-A1083 WeakPolarHBondContact OE1-CB 3.2Å
555	W	73.8	Confident	77.8	Confident	51 Å²	51	26.9 Å²	26.9	19%	0.193	13%	0.127	C	C	.	.	H	α-helix	trans	-70	-21.8	179.4	-76.8	85.9	0	0	0	112.9	H439 I552 C553 R695 A697 M705	H439-W555 HydrophobicContact CB-CD2 4.13Å; H439-W555 HydrophobicContact CB-CE3 4.46Å; H439-W555 HydrophobicContact CB-CG 4.49Å; H439-W555 AromaticContact CD2-CE2 3.77Å; H439-W555 AromaticContact CD2-CH2 3.94Å; H439-W555 AromaticContact CD2-CZ2 3.43Å; H439-W555 VanDerWaalsContact CD2-CZ2 3.43Å; H439-W555 WeakPolarHBondContact CD2-CZ2 3.47Å; H439-W555 AromaticContact CE1-CH2 2.99Å; H439-W555 WeakPolarHBondContact CE1-CH2 3.44Å; H439-W555 AromaticContact CE1-CZ2 3.33Å; H439-W555 WeakPolarHBondContact CE1-CZ2 3.23Å; H439-W555 AromaticContact CE1-CZ3 3.6Å; H439-W555 AromaticContact CG-CD2 3.94Å; H439-W555 AromaticContact CG-CE2 3.63Å; H439-W555 AromaticContact CG-CH2 3.78Å; H439-W555 AromaticContact CG-CZ2 3.54Å; H439-W555 AromaticContact ND1-CE2 3.88Å; H439-W555 AromaticContact ND1-CE3 3.75Å; H439-W555 AromaticContact ND1-CH2 3.17Å; H439-W555 WeakPolarHBondContact ND1-CH2 3.47Å; H439-W555 AromaticContact ND1-CZ2 3.46Å; H439-W555 WeakPolarHBondContact ND1-CZ2 3.29Å; H439-W555 AromaticContact ND1-CZ3 3.31Å; H439-W555 VanDerWaalsContact ND1-CZ3 3.31Å; H439-W555 WeakPolarHBondContact ND1-CZ3 3.4Å; H439-W555 AromaticContact NE2-CH2 3.51Å; H439-W555 AromaticContact NE2-CZ2 3.33Å; H439-W555 VanDerWaalsContact NE2-CZ2 3.33Å; H439-W555 WeakPolarHBondContact NE2-CZ2 3.49Å; I552-W555 WeakPolarHBondContact O-CB 3.24Å; I552-W555 PolarHBondContact O-N 2.86Å; C553-W555 PolarHBondContact O-N 2.77Å; W555-R695 PolarHBondContact NE1-O 3.35Å; W555-A697 HydrophobicContact CH2-CB 3.79Å; W555-A697 HydrophobicContact CZ2-CB 3.9Å; W555-M705 HydrophobicContact CE3-SD 4.16Å; W555-M705 HydrophobicContact CH2-CE 3.83Å; W555-M705 HydrophobicContact CH2-SD 4.28Å; W555-M705 HydrophobicContact CZ3-CE 3.84Å; W555-M705 HydrophobicContact CZ3-SD 3.66Å
556	Y	70.6	Confident	77.2	Confident	42 Å²	42	29.1 Å²	29.1	17%	0.165	14%	0.138	C	C	.	.	H	α-helix	trans	-109.5	-9.1	-174.5	-61.3	-76.2	0	0	0	114	K429 L433 I552 E554 L1084	K429-Y556 HydrophobicContact CB-CD1 3.99Å; K429-Y556 HydrophobicContact CB-CE1 4.33Å; K429-Y556 HydrophobicContact CD-CD1 3.9Å; K429-Y556 HydrophobicContact CG-CD1 3.96Å; K429-Y556 HydrophobicContact CG-CE1 4.39Å; K429-Y556 PolarHBondContact NZ-O 2.98Å; L433-Y556 HydrophobicContact CD1-CE2 4.31Å; L433-Y556 HydrophobicContact CD2-CE1 4.41Å; L433-Y556 HydrophobicContact CD2-CE2 3.83Å; L433-Y556 VanDerWaalsContact CD2-OH 3.29Å; L433-Y556 WeakPolarHBondContact CD2-OH 3.21Å; L433-Y556 HydrophobicContact CG-CE1 4.5Å; I552-Y556 HydrophobicContact CB-CD2 4.37Å; I552-Y556 HydrophobicContact CB-CE2 3.96Å; I552-Y556 HydrophobicContact CD1-CD2 4.26Å; I552-Y556 HydrophobicContact CD1-CE2 3.77Å; I552-Y556 HydrophobicContact CG1-CE2 4.26Å; I552-Y556 WeakPolarHBondContact O-CD2 3.34Å; E554-Y556 PolarHBondContact O-N 2.8Å; Y556-L1084 WeakPolarHBondContact O-CD2 3.29Å
557	T	72.1	Confident	76.9	Confident	21 Å²	21	29.3 Å²	29.3	13%	0.129	14%	0.138	C	C	.	.			trans	-48.6	135	179.4	-52.6	0	0	0	0	113.4	C553 E554 M561 W682 A1083	C553-T557 PolarHBondContact O-OG1 3.31Å; E554-T557 WeakPolarHBondContact CA-OG1 3.48Å; E554-T557 PolarHBondContact O-OG1 3.39Å; E554-T557 PolarHBondContact OE2-OG1 3.29Å; T557-M561 HydrophobicContact CG2-CG 4.05Å; T557-W682 HydrophobicContact CG2-CH2 3.87Å; T557-W682 HydrophobicContact CG2-CZ2 3.73Å; T557-A1083 WeakPolarHBondContact CB-O 3.29Å; T557-A1083 WeakPolarHBondContact CG2-O 3.42Å; T557-A1083 WeakPolarHBondContact OG1-CB 3.32Å; T557-A1083 PolarHBondContact OG1-O 3.47Å
558	S	75.4	Confident	76.7	Confident	38 Å²	38	29.5 Å²	29.5	27%	0.266	14%	0.139	S	C	.	.			trans	-88.3	148.4	173.4	-174.4	0	0	0	0	111.3	D560 M561 W682	S558-D560 PolarHBondContact O-N 3.18Å; S558-D560 PolarHBondContact OG-N 3Å; S558-D560 PolarHBondContact OG-OD2 2.77Å; S558-M561 WeakPolarHBondContact O-CG 3.35Å; S558-M561 PolarHBondContact O-N 3.09Å; S558-W682 WeakPolarHBondContact O-CH2 3.37Å
559	V	77	Confident	77	Confident	24 Å²	24	28.8 Å²	28.8	15%	0.145	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-69.8	-17.4	172.2	-168.9	0	0	0	0	111.5	M561 L562 W682 F709 V713 I716	V559-M561 PolarHBondContact O-N 2.68Å; V559-L562 HydrophobicContact CG1-CD1 4.03Å; V559-L562 PolarHBondContact O-N 3.16Å; V559-L562 VanDerWaalsContact O-N 3.12Å; V559-W682 HydrophobicContact CG2-CH2 4.38Å; V559-W682 HydrophobicContact CG2-CZ3 4.35Å; V559-F709 HydrophobicContact CG1-CD2 4.16Å; V559-F709 HydrophobicContact CG1-CE2 3.9Å; V559-F709 HydrophobicContact CG2-CD2 3.86Å; V559-F709 HydrophobicContact CG2-CE2 4.28Å; V559-V713 HydrophobicContact CG1-CB 4.38Å; V559-V713 HydrophobicContact CG1-CG2 3.44Å; V559-V713 VanDerWaalsContact CG1-CG2 3.44Å; V559-I716 HydrophobicContact CG1-CD1 3.67Å
560	D	74.8	Confident	77.1	Confident	26 Å²	26	28.1 Å²	28.1	14%	0.139	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-60.1	-18.2	175.7	-63.8	-49.6	0	0	0	113.6	N422 S558 L562 K563 Y564	N422-D560 PolarHBondContact ND2-OD2 3.05Å; S558-D560 PolarHBondContact O-N 3.18Å; S558-D560 PolarHBondContact OG-N 3Å; S558-D560 PolarHBondContact OG-OD2 2.77Å; D560-L562 PolarHBondContact O-N 3.22Å; D560-L562 VanDerWaalsContact O-N 3.15Å; D560-K563 HydrophobicContact CB-CD 4.38Å; D560-K563 VanDerWaalsContact O-CB 3.25Å; D560-K563 WeakPolarHBondContact O-CB 3.46Å; D560-K563 PolarHBondContact O-N 2.7Å; D560-K563 WeakPolarHBondContact OD1-CE 3.35Å; D560-K563 IonicContact OD1-NZ 2.66Å; D560-K563 PolarHBondContact OD1-NZ 3.05Å; D560-Y564 WeakPolarHBondContact O-CD2 3.31Å
561	M	74.2	Confident	77.1	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.03	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.2	174.8	-55.9	-74	142.3	0	0	113	T557 S558 V559 K563 E565 H566 R567 W682 L1084 V1085	T557-M561 HydrophobicContact CG2-CG 4.05Å; S558-M561 WeakPolarHBondContact O-CG 3.35Å; S558-M561 PolarHBondContact O-N 3.09Å; V559-M561 PolarHBondContact O-N 2.68Å; M561-K563 VanDerWaalsContact C-N 3.31Å; M561-E565 PolarHBondContact O-N 3.1Å; M561-H566 PolarHBondContact O-N 3.14Å; M561-R567 HydrophobicContact CB-CB 3.92Å; M561-R567 HydrophobicContact CB-CG 3.45Å; M561-R567 VanDerWaalsContact CB-CG 3.45Å; M561-R567 HydrophobicContact CG-CG 4.22Å; M561-R567 PolarHBondContact O-N 3.33Å; M561-W682 HydrophobicContact CB-CZ2 4.33Å; M561-L1084 HydrophobicContact CE-CB 4.35Å; M561-V1085 VanDerWaalsContact CE-N 3.3Å; M561-V1085 WeakPolarHBondContact CE-O 3.4Å; M561-V1085 HydrophobicContact SD-CB 4.15Å; M561-V1085 PolarHBondContact SD-N 3.34Å
562	L	78.6	Confident	77.2	Confident	14 Å²	14	27.5 Å²	27.5	7%	0.073	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-70.8	-27.3	174.3	-68	171.2	0	0	0	112	V559 D560 E565 R567 L569 F709 V713 I716	V559-L562 HydrophobicContact CG1-CD1 4.03Å; V559-L562 PolarHBondContact O-N 3.16Å; V559-L562 VanDerWaalsContact O-N 3.12Å; D560-L562 PolarHBondContact O-N 3.22Å; D560-L562 VanDerWaalsContact O-N 3.15Å; L562-E565 PolarHBondContact O-N 3.28Å; L562-R567 HydrophobicContact CD2-CB 4Å; L562-L569 HydrophobicContact CD2-CG 4.26Å; L562-F709 HydrophobicContact CD1-CE2 4.22Å; L562-F709 HydrophobicContact CD1-CZ 4.28Å; L562-V713 HydrophobicContact CD1-CG1 4.43Å; L562-V713 HydrophobicContact CD1-CG2 3.73Å; L562-I716 HydrophobicContact CB-CD1 4.32Å; L562-I716 HydrophobicContact CD1-CD1 4.5Å
563	K	75.3	Confident	77.1	Confident	102 Å²	102	30.4 Å²	30.4	44%	0.443	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-37.1	177.3	-64.2	173.7	176.8	164.1	0	111.7	D560 M561 E565 I716	D560-K563 HydrophobicContact CB-CD 4.38Å; D560-K563 VanDerWaalsContact O-CB 3.25Å; D560-K563 WeakPolarHBondContact O-CB 3.46Å; D560-K563 PolarHBondContact O-N 2.7Å; D560-K563 WeakPolarHBondContact OD1-CE 3.35Å; D560-K563 IonicContact OD1-NZ 2.66Å; D560-K563 PolarHBondContact OD1-NZ 3.05Å; M561-K563 VanDerWaalsContact C-N 3.31Å; K563-E565 VanDerWaalsContact C-N 3.35Å; K563-I716 HydrophobicContact CG-CD1 4.4Å; K563-I716 HydrophobicContact CG-CG2 3.75Å
564	Y	71.7	Confident	76.7	Confident	108 Å²	108	30.6 Å²	30.6	42%	0.424	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.9	-179.5	-55.8	-66.3	0	0	0	113.2	D560 H566	D560-Y564 WeakPolarHBondContact O-CD2 3.31Å; Y564-H566 VanDerWaalsContact CB-CD2 3.46Å; Y564-H566 WeakPolarHBondContact CB-CD2 3.41Å; Y564-H566 PolarHBondContact O-N 3.03Å
565	E	73.2	Confident	76	Confident	56 Å²	56	31.5 Å²	31.5	26%	0.262	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	15.7	-175.2	-57	-173	174.6	0	0	115.3	M561 L562 K563 R567 K685 K721	M561-E565 PolarHBondContact O-N 3.1Å; L562-E565 PolarHBondContact O-N 3.28Å; K563-E565 VanDerWaalsContact C-N 3.35Å; E565-R567 PolarHBondContact O-N 2.91Å; E565-K685 HydrophobicContact CB-CD 4.24Å; E565-K685 WeakPolarHBondContact O-CB 3.49Å; E565-K685 WeakPolarHBondContact O-CD 3.05Å; E565-K685 IonicContact OE2-NZ 3.06Å; E565-K685 PolarHBondContact OE2-NZ 2.67Å; E565-K721 WeakPolarHBondContact OE1-CD 3.34Å; E565-K721 WeakPolarHBondContact OE1-CE 3.36Å; E565-K721 IonicContact OE1-NZ 3.61Å; E565-K721 PolarHBondContact OE1-NZ 2.79Å
566	H	73.3	Confident	75.8	Confident	51 Å²	51	30 Å²	30	24%	0.236	15%	0.152	C	C	.	.	S	Bend	trans	-62.1	-28.3	168	-66.9	-52.7	0	0	0	111.1	I487 M561 Y564 K685 V1085	I487-H566 HydrophobicContact CD1-CB 4.24Å; M561-H566 PolarHBondContact O-N 3.14Å; Y564-H566 VanDerWaalsContact CB-CD2 3.46Å; Y564-H566 WeakPolarHBondContact CB-CD2 3.41Å; Y564-H566 PolarHBondContact O-N 3.03Å; H566-K685 PolarHBondContact O-N 3.39Å; H566-V1085 VanDerWaalsContact NE2-CG1 3.3Å; H566-V1085 WeakPolarHBondContact NE2-CG1 3.4Å
567	R	81.8	Confident	75.8	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.2	175	-62.9	-64.9	-147.8	-152	10.2	109.7	E554 M561 L562 E565 W682 R683 P1082	E554-R567 IonicContact OE1-CZ 3.78Å; E554-R567 IonicContact OE1-NH2 2.76Å; E554-R567 PolarHBondContact OE1-NH2 3.1Å; E554-R567 IonicContact OE2-NH2 3.96Å; E554-R567 PolarHBondContact OE2-NH2 3.13Å; M561-R567 HydrophobicContact CB-CB 3.92Å; M561-R567 HydrophobicContact CB-CG 3.45Å; M561-R567 VanDerWaalsContact CB-CG 3.45Å; M561-R567 HydrophobicContact CG-CG 4.22Å; M561-R567 PolarHBondContact O-N 3.33Å; L562-R567 HydrophobicContact CD2-CB 4Å; E565-R567 PolarHBondContact O-N 2.91Å; R567-W682 HydrophobicContact CB-CZ2 4.29Å; R567-W682 HydrophobicContact CG-CZ2 4Å; R567-R683 WeakPolarHBondContact CA-O 3.36Å; R567-P1082 PolarHBondContact NH1-O 3.22Å; R567-P1082 PolarHBondContact NH2-O 3.49Å
568	I	85.3	Confident	76.1	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.5	-179.6	57.5	169.9	0	0	0	110.6	V570 R683 K685 P688 F723 L731	I568-V570 HydrophobicContact CD1-CG2 3.69Å; I568-V570 HydrophobicContact CG1-CG2 3.87Å; I568-R683 PolarHBondContact N-O 2.95Å; I568-R683 PolarHBondContact O-N 3.07Å; I568-K685 HydrophobicContact CG2-CB 4.17Å; I568-K685 HydrophobicContact CG2-CD 4.28Å; I568-K685 HydrophobicContact CG2-CG 4.24Å; I568-P688 HydrophobicContact CD1-CB 4.36Å; I568-F723 HydrophobicContact CB-CD2 3.7Å; I568-F723 HydrophobicContact CB-CE2 3.87Å; I568-F723 HydrophobicContact CB-CG 4.48Å; I568-F723 HydrophobicContact CD1-CB 4.35Å; I568-F723 HydrophobicContact CD1-CD2 4.26Å; I568-F723 HydrophobicContact CD1-CG 4.21Å; I568-F723 HydrophobicContact CG2-CD2 3.83Å; I568-F723 HydrophobicContact CG2-CE2 3.46Å; I568-F723 VanDerWaalsContact CG2-CE2 3.46Å; I568-F723 HydrophobicContact CG2-CZ 4.01Å; I568-L731 HydrophobicContact CD1-CD1 3.61Å; I568-L731 HydrophobicContact CD1-CD2 3.75Å; I568-L731 HydrophobicContact CD1-CG 4.35Å
569	L	88	Confident	76.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.3	167.8	-66.8	175	0	0	0	108.1	L562 Y675 C680 F709 C720 L722 F723	L562-L569 HydrophobicContact CD2-CG 4.26Å; L569-Y675 HydrophobicContact CD1-CD2 4.28Å; L569-Y675 HydrophobicContact CD1-CG 4.35Å; L569-C680 HydrophobicContact CB-CB 4.4Å; L569-F709 HydrophobicContact CD2-CZ 4.24Å; L569-C720 HydrophobicContact CD1-CB 4.25Å; L569-L722 HydrophobicContact CB-CD1 4Å; L569-F723 PolarHBondContact O-N 3.31Å
570	V	88	Confident	76	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.1	179.2	-176.5	0	0	0	0	109.6	I568 L575 C680 S681 R683 P688 F723 L725 L731	I568-V570 HydrophobicContact CD1-CG2 3.69Å; I568-V570 HydrophobicContact CG1-CG2 3.87Å; V570-L575 HydrophobicContact CB-CD1 4.47Å; V570-L575 HydrophobicContact CG1-CD1 3.84Å; V570-L575 HydrophobicContact CG1-CD2 4.29Å; V570-L575 HydrophobicContact CG1-CG 4.1Å; V570-C680 CarbonylContact O-C 3.5Å; V570-C680 WeakPolarHBondContact O-CA 3.5Å; V570-C680 WeakPolarHBondContact O-CB 3.39Å; V570-S681 PolarHBondContact N-O 3.3Å; V570-S681 PolarHBondContact O-N 3.17Å; V570-R683 HydrophobicContact CB-CG 4.29Å; V570-R683 HydrophobicContact CG2-CB 4.04Å; V570-R683 HydrophobicContact CG2-CG 4.16Å; V570-P688 HydrophobicContact CG2-CB 4.26Å; V570-F723 CarbonylContact C-O 3.59Å; V570-F723 VanDerWaalsContact CA-O 3.28Å; V570-F723 WeakPolarHBondContact CA-O 3.37Å; V570-L725 HydrophobicContact CG1-CB 4.43Å; V570-L731 HydrophobicContact CG2-CD2 4.47Å
571	T	86.3	Confident	76.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.3	175.7	52.2	0	0	0	0	111.2	S573 S574 E678 L722 F723 I734	T571-S573 VanDerWaalsContact C-N 3.33Å; T571-S573 PolarHBondContact O-N 3.27Å; T571-S574 PolarHBondContact O-N 3.24Å; T571-S574 PolarHBondContact O-OG 2.84Å; T571-S574 PolarHBondContact OG1-OG 3.11Å; T571-E678 HydrophobicContact CG2-CB 4.44Å; T571-E678 WeakPolarHBondContact CG2-OE2 3.39Å; T571-L722 HydrophobicContact CG2-CD1 3.86Å; T571-L722 HydrophobicContact CG2-CD2 3.8Å; T571-L722 HydrophobicContact CG2-CG 3.84Å; T571-F723 PolarHBondContact N-O 3.24Å; T571-F723 PolarHBondContact OG1-O 3.34Å; T571-I734 HydrophobicContact CG2-CD1 3.57Å
572	D	82.1	Confident	76.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.9	-38.7	179.2	-71	-38.7	0	0	0	111	S574 L575 H576 Q604 R668 T679 S681	D572-S574 PolarHBondContact O-N 2.91Å; D572-L575 WeakPolarHBondContact O-CB 3.4Å; D572-L575 PolarHBondContact O-N 3.37Å; D572-H576 PolarHBondContact O-CD2 2.76Å; D572-H576 PolarHBondContact O-CE1 3.45Å; D572-H576 PolarHBondContact O-NE2 2.63Å; D572-Q604 HydrophobicContact CB-CB 4.26Å; D572-Q604 HydrophobicContact CB-CG 4.11Å; D572-R668 IonicContact OD1-CZ 3.03Å; D572-R668 IonicContact OD1-NH1 3.77Å; D572-R668 PolarHBondContact OD1-NH1 3.4Å; D572-R668 IonicContact OD1-NH2 3.56Å; D572-R668 PolarHBondContact OD1-NH2 2.95Å; D572-R668 IonicContact OD2-CZ 2.86Å; D572-R668 IonicContact OD2-NH1 3.54Å; D572-R668 PolarHBondContact OD2-NH1 3.09Å; D572-R668 IonicContact OD2-NH2 3.26Å; D572-T679 PolarHBondContact N-O 3.13Å; D572-S681 WeakPolarHBondContact OD1-CB 3.21Å; D572-S681 PolarHBondContact OD1-OG 3.37Å
573	S	72.5	Confident	76.6	Confident	65 Å²	65	42.6 Å²	42.6	46%	0.455	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-53.5	-31.8	180	59.9	0	0	0	0	114.8	T571	T571-S573 VanDerWaalsContact C-N 3.33Å; T571-S573 PolarHBondContact O-N 3.27Å
574	S	61.5	Low	76.7	Confident	17 Å²	17	49 Å²	49	12%	0.119	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-73.5	-25.8	175.5	28.1	0	0	0	0	115.5	T571 D572 H576 K724 L725	T571-S574 PolarHBondContact O-N 3.24Å; T571-S574 PolarHBondContact O-OG 2.84Å; T571-S574 PolarHBondContact OG1-OG 3.11Å; D572-S574 PolarHBondContact O-N 2.91Å; S574-H576 PolarHBondContact O-N 3.37Å; S574-K724 VanDerWaalsContact CB-CG 3.47Å; S574-L725 VanDerWaalsContact CB-N 3.33Å; S574-L725 WeakPolarHBondContact CB-O 3.28Å; S574-L725 PolarHBondContact OG-N 3.07Å; S574-L725 VanDerWaalsContact OG-N 3.16Å
575	L	61.2	Low	76.8	Confident	34 Å²	34	50.7 Å²	50.7	18%	0.178	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-85.8	-1.7	-168.1	-69.9	160.3	0	0	0	112	V570 D572 R683 L725	V570-L575 HydrophobicContact CB-CD1 4.47Å; V570-L575 HydrophobicContact CG1-CD1 3.84Å; V570-L575 HydrophobicContact CG1-CD2 4.29Å; V570-L575 HydrophobicContact CG1-CG 4.1Å; D572-L575 WeakPolarHBondContact O-CB 3.4Å; D572-L575 PolarHBondContact O-N 3.37Å; L575-R683 VanDerWaalsContact CD1-CZ 3.41Å; L575-L725 HydrophobicContact CD2-CB 4.11Å; L575-L725 HydrophobicContact CD2-CD2 3.52Å; L575-L725 HydrophobicContact CD2-CG 4.44Å
576	H	68.5	Low	76.9	Confident	20 Å²	20	49 Å²	49	9%	0.093	25%	0.248	C	C	.	.			trans	-122.7	113	-161.3	-55.4	-26.4	0	0	0	111.2	D572 S574 D578 G895	D572-H576 PolarHBondContact O-CD2 2.76Å; D572-H576 PolarHBondContact O-CE1 3.45Å; D572-H576 PolarHBondContact O-NE2 2.63Å; S574-H576 PolarHBondContact O-N 3.37Å; H576-D578 PolarHBondContact O-N 3.37Å; H576-G895 PolarHBondContact CD2-O 2.98Å; H576-G895 PolarHBondContact CE1-O 2.72Å; H576-G895 PolarHBondContact NE2-O 3.23Å
577	I	71.8	Confident	77.2	Confident	113 Å²	113	47.9 Å²	47.9	58%	0.579	25%	0.25	S	S	*	.			trans	-78.5	116.7	166.5	-55.3	164.5	0	0	0	107.7	E579 N590 R898	I577-E579 VanDerWaalsContact C-N 3.28Å; I577-E579 HydrophobicContact CG2-CG 3.88Å; I577-E579 PolarHBondContact O-N 3.22Å; I577-N590 PolarHBondContact O-ND2 3.27Å; I577-R898 PolarHBondContact O-NH2 3Å
578	D	77.9	Confident	77.3	Confident	29 Å²	29	47.8 Å²	47.8	16%	0.155	25%	0.25	C	S	.	.			trans	-74.7	76.2	173.7	-175.2	27	0	0	0	110.5	H576 L580 S581 T582 Q583 N589 N590	H576-D578 PolarHBondContact O-N 3.37Å; D578-L580 PolarHBondContact O-N 3.22Å; D578-S581 PolarHBondContact O-N 3Å; D578-S581 PolarHBondContact OD1-N 2.91Å; D578-S581 WeakPolarHBondContact OD2-CA 3.38Å; D578-T582 PolarHBondContact OD1-N 3.32Å; D578-T582 PolarHBondContact OD1-OG1 3.49Å; D578-T582 PolarHBondContact OD2-N 3.16Å; D578-Q583 WeakPolarHBondContact OD2-CB 3.42Å; D578-Q583 PolarHBondContact OD2-N 3.5Å; D578-N589 HydrophobicContact CB-CB 3.78Å; D578-N589 WeakPolarHBondContact OD1-CA 3.32Å; D578-N590 PolarHBondContact OD1-N 3.3Å; D578-N590 PolarHBondContact OD1-OD1 3.07Å
579	E	75	Confident	77.2	Confident	53 Å²	53	48.2 Å²	48.2	25%	0.248	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.5	-177.6	-74.9	177.5	-178.3	0	0	113	I577 S581 N590 R898 H977 F978	I577-E579 VanDerWaalsContact C-N 3.28Å; I577-E579 HydrophobicContact CG2-CG 3.88Å; I577-E579 PolarHBondContact O-N 3.22Å; E579-S581 VanDerWaalsContact C-N 3.33Å; E579-N590 PolarHBondContact N-OD1 3.16Å; E579-R898 VanDerWaalsContact CG-NH2 3.26Å; E579-R898 IonicContact OE1-CZ 3.37Å; E579-R898 IonicContact OE1-NH1 2.73Å; E579-R898 PolarHBondContact OE1-NH1 3.48Å; E579-R898 IonicContact OE1-NH2 3.44Å; E579-R898 PolarHBondContact OE1-NH2 3.37Å; E579-R898 IonicContact OE2-CZ 3.78Å; E579-R898 IonicContact OE2-NH1 4Å; E579-R898 PolarHBondContact OE2-NH1 3.15Å; E579-R898 IonicContact OE2-NH2 2.83Å; E579-H977 IonicContact OE1-CE1 2.74Å; E579-H977 IonicContact OE1-ND1 3.99Å; E579-H977 IonicContact OE2-CE1 3.68Å; E579-H977 IonicContact OE2-CG 3.11Å; E579-H977 IonicContact OE2-ND1 3.27Å; E579-H977 PolarHBondContact OE2-ND1 3.16Å; E579-F978 WeakPolarHBondContact OE2-CE2 3.42Å; E579-F978 WeakPolarHBondContact OE2-CZ 3.5Å
580	L	75.5	Confident	77	Confident	35 Å²	35	48.2 Å²	48.2	18%	0.183	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.2	174.6	-59.7	-178.4	0	0	0	113.4	D578 T582 N590 R592 M973	D578-L580 PolarHBondContact O-N 3.22Å; L580-T582 HydrophobicContact CB-CG2 3.65Å; L580-T582 PolarHBondContact O-N 3.34Å; L580-T582 VanDerWaalsContact O-N 3.15Å; L580-N590 HydrophobicContact CD1-CB 4.23Å; L580-N590 HydrophobicContact CG-CB 4.49Å; L580-N590 PolarHBondContact N-OD1 3.47Å; L580-R592 HydrophobicContact CD1-CB 4.08Å; L580-R592 HydrophobicContact CD1-CG 4.32Å; L580-M973 HydrophobicContact CD2-CB 4.47Å; L580-M973 HydrophobicContact CD2-CE 3.44Å; L580-M973 VanDerWaalsContact CD2-CE 3.44Å; L580-M973 HydrophobicContact CD2-CG 3.74Å; L580-M973 HydrophobicContact CD2-SD 4Å; L580-M973 HydrophobicContact CG-CE 4.33Å
581	S	80.6	Confident	77	Confident	81 Å²	81	49.5 Å²	49.5	57%	0.566	26%	0.258	S	S	*	.			trans	53	33.3	-177.7	-61.3	0	0	0	0	113.5	D578 E579	D578-S581 PolarHBondContact O-N 3Å; D578-S581 PolarHBondContact OD1-N 2.91Å; D578-S581 WeakPolarHBondContact OD2-CA 3.38Å; E579-S581 VanDerWaalsContact C-N 3.33Å
582	T	79.2	Confident	77	Confident	22 Å²	22	50 Å²	50	14%	0.135	26%	0.26	C	S	.	.			trans	-90.5	-13.1	-173	49.6	0	0	0	0	113.5	D578 L580 R584 I585 T586 L588 N590 F591	D578-T582 PolarHBondContact OD1-N 3.32Å; D578-T582 PolarHBondContact OD1-OG1 3.49Å; D578-T582 PolarHBondContact OD2-N 3.16Å; L580-T582 HydrophobicContact CB-CG2 3.65Å; L580-T582 PolarHBondContact O-N 3.34Å; L580-T582 VanDerWaalsContact O-N 3.15Å; T582-R584 VanDerWaalsContact C-N 3.27Å; T582-R584 PolarHBondContact O-N 2.86Å; T582-I585 PolarHBondContact O-N 3.33Å; T582-I585 VanDerWaalsContact O-N 3.14Å; T582-T586 PolarHBondContact O-N 3.05Å; T582-T586 PolarHBondContact O-OG1 3.34Å; T582-L588 CarbonylContact C-O 3.58Å; T582-L588 VanDerWaalsContact C-O 3.32Å; T582-L588 PolarHBondContact OG1-O 3.46Å; T582-N590 WeakPolarHBondContact OG1-CA 3.3Å; T582-N590 PolarHBondContact OG1-N 2.8Å; T582-F591 WeakPolarHBondContact CG2-O 3.5Å; T582-F591 PolarHBondContact OG1-N 3.44Å
583	Q	80.4	Confident	77.2	Confident	102 Å²	102	53 Å²	53	48%	0.477	27%	0.274	S	S	.	.	H	α-helix	trans	-58.5	-40	-179.6	-170.1	-178.7	22.4	0	0	111.9	D578 I585 G587 L588 N589	D578-Q583 WeakPolarHBondContact OD2-CB 3.42Å; D578-Q583 PolarHBondContact OD2-N 3.5Å; Q583-I585 PolarHBondContact O-N 3.1Å; Q583-G587 WeakPolarHBondContact O-CA 3.36Å; Q583-G587 PolarHBondContact O-N 3.16Å; Q583-L588 VanDerWaalsContact CA-O 3.31Å; Q583-L588 WeakPolarHBondContact CA-O 3.45Å; Q583-L588 PolarHBondContact N-O 2.92Å; Q583-N589 VanDerWaalsContact CB-OD1 3.24Å; Q583-N589 WeakPolarHBondContact CB-OD1 3.43Å; Q583-N589 WeakPolarHBondContact CG-OD1 3.11Å; Q583-N589 PolarHBondContact NE2-OD1 2.62Å; Q583-N589 PolarHBondContact OE1-OD1 3.34Å
584	R	77.9	Confident	77.7	Confident	236 Å²	236	50.2 Å²	50.2	89%	0.891	25%	0.254	S	S	*	.	H	α-helix	trans	-63.3	-28.9	-179.1	-65.4	-175.9	-177.8	-176	1.7	113.4	T582	T582-R584 VanDerWaalsContact C-N 3.27Å; T582-R584 PolarHBondContact O-N 2.86Å
585	I	72.3	Confident	78.4	Confident	144 Å²	144	50.6 Å²	50.6	74%	0.738	26%	0.258	S	S	*	.	H	α-helix	trans	-97.9	-39.7	-172.7	-58.1	171.7	0	0	0	110.7	T582 Q583	T582-I585 PolarHBondContact O-N 3.33Å; T582-I585 VanDerWaalsContact O-N 3.14Å; Q583-I585 PolarHBondContact O-N 3.1Å
586	T	76	Confident	79.1	Confident	19 Å²	19	49.3 Å²	49.3	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-111.4	-14.3	-169.2	66.4	0	0	0	0	113.6	T582 L588 F591	T582-T586 PolarHBondContact O-N 3.05Å; T582-T586 PolarHBondContact O-OG1 3.34Å; T586-L588 PolarHBondContact O-N 3.09Å; T586-L588 PolarHBondContact OG1-N 3.03Å; T586-L588 PolarHBondContact OG1-O 3.44Å; T586-L588 VanDerWaalsContact OG1-O 3.11Å; T586-F591 HydrophobicContact CG2-CB 4.24Å; T586-F591 HydrophobicContact CG2-CD1 3.69Å; T586-F591 HydrophobicContact CG2-CE1 4.34Å; T586-F591 HydrophobicContact CG2-CG 4.1Å; T586-F591 WeakPolarHBondContact OG1-CB 3.22Å
587	G	78.8	Confident	79.9	Confident	28 Å²	28	49 Å²	49	29%	0.289	25%	0.252	S	S	.	.	S	Bend	trans	80.6	-6.6	-168.9	0	0	0	0	0	114	Q583	Q583-G587 WeakPolarHBondContact O-CA 3.36Å; Q583-G587 PolarHBondContact O-N 3.16Å
588	L	83.9	Confident	80.7	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-119.8	140	-177.3	-64	-178.3	0	0	0	111.5	T582 Q583 T586 F591 P605 I613 W664	T582-L588 CarbonylContact C-O 3.58Å; T582-L588 VanDerWaalsContact C-O 3.32Å; T582-L588 PolarHBondContact OG1-O 3.46Å; Q583-L588 VanDerWaalsContact CA-O 3.31Å; Q583-L588 WeakPolarHBondContact CA-O 3.45Å; Q583-L588 PolarHBondContact N-O 2.92Å; T586-L588 PolarHBondContact O-N 3.09Å; T586-L588 PolarHBondContact OG1-N 3.03Å; T586-L588 PolarHBondContact OG1-O 3.44Å; T586-L588 VanDerWaalsContact OG1-O 3.11Å; L588-F591 HydrophobicContact CB-CB 4.13Å; L588-F591 HydrophobicContact CD1-CD2 4Å; L588-P605 HydrophobicContact CD1-CB 4.23Å; L588-P605 HydrophobicContact CD2-CB 3.55Å; L588-I613 HydrophobicContact CD1-CD1 4.08Å; L588-I613 HydrophobicContact CD1-CG1 3.48Å; L588-I613 VanDerWaalsContact CD1-CG1 3.48Å; L588-I613 HydrophobicContact CG-CG1 4.16Å; L588-W664 HydrophobicContact CD1-CH2 4.07Å; L588-W664 HydrophobicContact CD1-CZ3 4.48Å
589	N	84.4	Confident	81.3	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.059	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	147.5	175.2	-51.9	-2.7	0	0	0	109.3	D578 Q583 F591 S603	D578-N589 HydrophobicContact CB-CB 3.78Å; D578-N589 WeakPolarHBondContact OD1-CA 3.32Å; Q583-N589 VanDerWaalsContact CB-OD1 3.24Å; Q583-N589 WeakPolarHBondContact CB-OD1 3.43Å; Q583-N589 WeakPolarHBondContact CG-OD1 3.11Å; Q583-N589 PolarHBondContact NE2-OD1 2.62Å; Q583-N589 PolarHBondContact OE1-OD1 3.34Å; N589-F591 PolarHBondContact O-N 3.25Å; N589-F591 VanDerWaalsContact O-N 3.09Å; N589-S603 WeakPolarHBondContact CA-OG 3.42Å; N589-S603 VanDerWaalsContact CB-OG 3.26Å; N589-S603 WeakPolarHBondContact CB-OG 3.19Å; N589-S603 PolarHBondContact N-OG 2.93Å; N589-S603 VanDerWaalsContact O-CB 3.23Å; N589-S603 WeakPolarHBondContact O-CB 3.48Å; N589-S603 PolarHBondContact O-N 2.95Å; N589-S603 PolarHBondContact O-OG 3.4Å
590	N	83.6	Confident	82.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	29	178.3	-57.6	-40.1	0	0	0	115.3	I577 D578 E579 L580 T582 R592 T896	I577-N590 PolarHBondContact O-ND2 3.27Å; D578-N590 PolarHBondContact OD1-N 3.3Å; D578-N590 PolarHBondContact OD1-OD1 3.07Å; E579-N590 PolarHBondContact N-OD1 3.16Å; L580-N590 HydrophobicContact CD1-CB 4.23Å; L580-N590 HydrophobicContact CG-CB 4.49Å; L580-N590 PolarHBondContact N-OD1 3.47Å; T582-N590 WeakPolarHBondContact OG1-CA 3.3Å; T582-N590 PolarHBondContact OG1-N 2.8Å; N590-R592 PolarHBondContact O-N 3.29Å; N590-R592 PolarHBondContact O-NH1 2.97Å; N590-R592 VanDerWaalsContact O-NH1 3.07Å; N590-T896 PolarHBondContact ND2-O 3.11Å
591	F	87.7	Confident	82.8	Confident	28 Å²	28	38.5 Å²	38.5	12%	0.123	20%	0.198	C	C	.	.			trans	-71.7	122.4	176.8	-175	-86.2	0	0	0	111.2	T582 T586 L588 N589 Y600 G601 I613	T582-F591 WeakPolarHBondContact CG2-O 3.5Å; T582-F591 PolarHBondContact OG1-N 3.44Å; T586-F591 HydrophobicContact CG2-CB 4.24Å; T586-F591 HydrophobicContact CG2-CD1 3.69Å; T586-F591 HydrophobicContact CG2-CE1 4.34Å; T586-F591 HydrophobicContact CG2-CG 4.1Å; T586-F591 WeakPolarHBondContact OG1-CB 3.22Å; L588-F591 HydrophobicContact CB-CB 4.13Å; L588-F591 HydrophobicContact CD1-CD2 4Å; N589-F591 PolarHBondContact O-N 3.25Å; N589-F591 VanDerWaalsContact O-N 3.09Å; F591-Y600 AromaticContact CE1-CD1 3.97Å; F591-Y600 HydrophobicContact CE1-CD1 3.97Å; F591-Y600 AromaticContact CZ-CD1 3.63Å; F591-Y600 HydrophobicContact CZ-CD1 3.63Å; F591-Y600 HydrophobicContact CZ-CE1 4.34Å; F591-Y600 HydrophobicContact CZ-CG 4.16Å; F591-G601 CarbonylContact C-O 3.54Å; F591-G601 VanDerWaalsContact CA-O 3.25Å; F591-G601 WeakPolarHBondContact CA-O 3.38Å; F591-I613 HydrophobicContact CD2-CD1 3.79Å; F591-I613 HydrophobicContact CD2-CG1 4.42Å; F591-I613 HydrophobicContact CE1-CD1 4.35Å; F591-I613 HydrophobicContact CE2-CD1 3.55Å; F591-I613 HydrophobicContact CE2-CG1 4.11Å; F591-I613 HydrophobicContact CE2-CG2 4.27Å; F591-I613 HydrophobicContact CG-CD1 4.31Å; F591-I613 HydrophobicContact CZ-CD1 3.85Å
592	R	86.7	Confident	83.3	Confident	9 Å²	9	34.6 Å²	34.6	3%	0.034	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.9	-179.7	64	-175.7	175.7	-70.4	6.5	112.2	L580 N590 Y600 G601 G897 S902 M905	L580-R592 HydrophobicContact CD1-CB 4.08Å; L580-R592 HydrophobicContact CD1-CG 4.32Å; N590-R592 PolarHBondContact O-N 3.29Å; N590-R592 PolarHBondContact O-NH1 2.97Å; N590-R592 VanDerWaalsContact O-NH1 3.07Å; R592-Y600 CarbonylContact O-C 3.36Å; R592-Y600 WeakPolarHBondContact O-CA 3.32Å; R592-G601 PolarHBondContact N-O 2.98Å; R592-G601 PolarHBondContact O-N 2.95Å; R592-G897 PolarHBondContact NH1-O 2.84Å; R592-G897 PolarHBondContact NH2-O 3.33Å; R592-S902 PolarHBondContact NH2-OG 2.98Å; R592-M905 HydrophobicContact CG-CE 4.08Å; R592-M905 HydrophobicContact CG-SD 4.2Å
593	Q	86.2	Confident	83.8	Confident	65 Å²	65	33.7 Å²	33.7	30%	0.304	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.3	172	-172.4	-178.3	7.9	0	0	109.2	A595 L597 I599 Y600 C842	Q593-A595 PolarHBondContact O-N 3.15Å; Q593-L597 VanDerWaalsContact CG-O 3.22Å; Q593-L597 WeakPolarHBondContact CG-O 3.48Å; Q593-L597 PolarHBondContact NE2-O 3.05Å; Q593-I599 WeakPolarHBondContact CA-O 3.4Å; Q593-Y600 HydrophobicContact CB-CD1 3.65Å; Q593-Y600 HydrophobicContact CB-CE1 3.64Å; Q593-Y600 HydrophobicContact CG-CD1 3.82Å; Q593-Y600 HydrophobicContact CG-CE1 3.49Å; Q593-Y600 VanDerWaalsContact CG-CE1 3.49Å; Q593-Y600 PolarHBondContact NE2-OH 3.25Å; Q593-C842 PolarHBondContact NE2-SG 3.49Å; Q593-C842 VanDerWaalsContact NE2-SG 3.42Å
594	L	83.9	Confident	84.4	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	15%	0.146	C	C	.	.			trans	-67.3	118.8	166.8	-164.4	167.9	0	0	0	107.8	G596 L597 I599 M905 V965 R968	L594-G596 PolarHBondContact O-N 3.16Å; L594-L597 HydrophobicContact CB-CB 4.37Å; L594-L597 HydrophobicContact CD1-CD1 4.21Å; L594-L597 HydrophobicContact CD2-CB 4.1Å; L594-L597 HydrophobicContact CD2-CD1 3.5Å; L594-L597 VanDerWaalsContact CD2-CD1 3.5Å; L594-L597 HydrophobicContact CD2-CG 3.71Å; L594-L597 HydrophobicContact CG-CD1 4.38Å; L594-L597 PolarHBondContact O-N 3.39Å; L594-I599 HydrophobicContact CB-CB 4.2Å; L594-I599 HydrophobicContact CB-CG2 4.44Å; L594-I599 HydrophobicContact CD1-CD1 4.49Å; L594-I599 PolarHBondContact N-O 3.48Å; L594-M905 HydrophobicContact CB-CE 3.91Å; L594-V965 HydrophobicContact CD1-CG1 4.44Å; L594-R968 HydrophobicContact CD2-CB 3.86Å
595	A	75.4	Confident	85	Confident	25 Å²	25	18.2 Å²	18.2	21%	0.207	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	111.4	-164.5	0	0	0	0	0	113.8	Q593 L597 E971	Q593-A595 PolarHBondContact O-N 3.15Å; A595-L597 VanDerWaalsContact C-N 3.35Å; A595-E971 WeakPolarHBondContact CB-OE2 3.36Å
596	G	76.4	Confident	85.7	Confident	8 Å²	8	13.9 Å²	13.9	8%	0.082	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-2.9	178.5	0	0	0	0	0	115.8	L594 C842	L594-G596 PolarHBondContact O-N 3.16Å; G596-C842 WeakPolarHBondContact O-CB 3.2Å
597	L	84.9	Confident	86.2	Confident	13 Å²	13	13.4 Å²	13.4	7%	0.068	8%	0.079	C	C	.	.	S	Bend	trans	-110	150.2	-179.6	-57.2	-168.2	0	0	0	111.6	Q593 L594 A595 I599 T839 H912	Q593-L597 VanDerWaalsContact CG-O 3.22Å; Q593-L597 WeakPolarHBondContact CG-O 3.48Å; Q593-L597 PolarHBondContact NE2-O 3.05Å; L594-L597 HydrophobicContact CB-CB 4.37Å; L594-L597 HydrophobicContact CD1-CD1 4.21Å; L594-L597 HydrophobicContact CD2-CB 4.1Å; L594-L597 HydrophobicContact CD2-CD1 3.5Å; L594-L597 VanDerWaalsContact CD2-CD1 3.5Å; L594-L597 HydrophobicContact CD2-CG 3.71Å; L594-L597 HydrophobicContact CG-CD1 4.38Å; L594-L597 PolarHBondContact O-N 3.39Å; A595-L597 VanDerWaalsContact C-N 3.35Å; L597-I599 HydrophobicContact CB-CD1 4.34Å; L597-I599 HydrophobicContact CD1-CD1 4.28Å; L597-I599 PolarHBondContact O-N 3.34Å; L597-T839 HydrophobicContact CD2-CG2 4.09Å; L597-H912 HydrophobicContact CD1-CB 4.22Å; L597-H912 WeakPolarHBondContact CD2-CE1 3.35Å
598	P	88	Confident	86.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-79.4	40.7	179.2	38.4	-41.9	0	0	0	112.8	L835 T839 L890	P598-L835 HydrophobicContact CG-CD2 3.89Å; P598-T839 WeakPolarHBondContact CD-OG1 3.41Å; P598-L890 PolarHBondContact O-N 3.03Å
599	I	90.8	Very high	86.5	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.9	-177.1	-63.5	165.6	0	0	0	107	Q593 L594 L597 M828 F892 M905 A908 H912	Q593-I599 WeakPolarHBondContact CA-O 3.4Å; L594-I599 HydrophobicContact CB-CB 4.2Å; L594-I599 HydrophobicContact CB-CG2 4.44Å; L594-I599 HydrophobicContact CD1-CD1 4.49Å; L594-I599 PolarHBondContact N-O 3.48Å; L597-I599 HydrophobicContact CB-CD1 4.34Å; L597-I599 HydrophobicContact CD1-CD1 4.28Å; L597-I599 PolarHBondContact O-N 3.34Å; I599-M828 HydrophobicContact CD1-CE 4.31Å; I599-F892 HydrophobicContact CG2-CD2 4.01Å; I599-F892 HydrophobicContact CG2-CE2 3.92Å; I599-M905 HydrophobicContact CG2-CB 4.38Å; I599-M905 HydrophobicContact CG2-CG 4.14Å; I599-A908 HydrophobicContact CD1-CB 3.85Å; I599-A908 HydrophobicContact CG1-CB 4.41Å; I599-A908 HydrophobicContact CG2-CB 4.22Å; I599-H912 HydrophobicContact CD1-CB 4.21Å
600	Y	90.9	Very high	86.7	Confident	9 Å²	9	16.3 Å²	16.3	4%	0.035	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151	-177.6	-55.8	-94.1	0	0	0	110.2	F591 R592 Q593 L617 N889 L890 I891 F892	F591-Y600 AromaticContact CE1-CD1 3.97Å; F591-Y600 HydrophobicContact CE1-CD1 3.97Å; F591-Y600 AromaticContact CZ-CD1 3.63Å; F591-Y600 HydrophobicContact CZ-CD1 3.63Å; F591-Y600 HydrophobicContact CZ-CE1 4.34Å; F591-Y600 HydrophobicContact CZ-CG 4.16Å; R592-Y600 CarbonylContact O-C 3.36Å; R592-Y600 WeakPolarHBondContact O-CA 3.32Å; Q593-Y600 HydrophobicContact CB-CD1 3.65Å; Q593-Y600 HydrophobicContact CB-CE1 3.64Å; Q593-Y600 HydrophobicContact CG-CD1 3.82Å; Q593-Y600 HydrophobicContact CG-CE1 3.49Å; Q593-Y600 VanDerWaalsContact CG-CE1 3.49Å; Q593-Y600 PolarHBondContact NE2-OH 3.25Å; Y600-L617 HydrophobicContact CE1-CD2 4.45Å; Y600-N889 HydrophobicContact CD2-CB 4.45Å; Y600-N889 HydrophobicContact CE2-CB 4.04Å; Y600-N889 WeakPolarHBondContact CE2-OD1 3.35Å; Y600-L890 PolarHBondContact N-O 3.46Å; Y600-I891 HydrophobicContact CD2-CG1 4.26Å; Y600-F892 PolarHBondContact O-N 2.85Å
601	G	91	Very high	86.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.7	174	0	0	0	0	0	110.6	F591 R592 F892 M905	F591-G601 CarbonylContact C-O 3.54Å; F591-G601 VanDerWaalsContact CA-O 3.25Å; F591-G601 WeakPolarHBondContact CA-O 3.38Å; R592-G601 PolarHBondContact N-O 2.98Å; R592-G601 PolarHBondContact O-N 2.95Å; G601-F892 CarbonylContact C-O 3.59Å; G601-F892 VanDerWaalsContact CA-O 3.26Å; G601-F892 WeakPolarHBondContact CA-O 3.49Å; G601-M905 VanDerWaalsContact CA-SD 3.51Å
602	S	90.9	Very high	86.6	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.9	176.8	59.3	0	0	0	0	113.1	F892 F893 C894 G897 T901	S602-F892 PolarHBondContact N-O 3.48Å; S602-F893 WeakPolarHBondContact O-CA 3.33Å; S602-F893 WeakPolarHBondContact O-CB 3.33Å; S602-C894 PolarHBondContact O-N 2.91Å; S602-G897 WeakPolarHBondContact O-CA 3.11Å; S602-T901 PolarHBondContact O-OG1 3.39Å
603	S	90.6	Very high	86.5	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	-72.5	177.6	164.4	63.1	0	0	0	0	112.1	N589 P605 C894 G895	N589-S603 WeakPolarHBondContact CA-OG 3.42Å; N589-S603 VanDerWaalsContact CB-OG 3.26Å; N589-S603 WeakPolarHBondContact CB-OG 3.19Å; N589-S603 PolarHBondContact N-OG 2.93Å; N589-S603 VanDerWaalsContact O-CB 3.23Å; N589-S603 WeakPolarHBondContact O-CB 3.48Å; N589-S603 PolarHBondContact O-N 2.95Å; N589-S603 PolarHBondContact O-OG 3.4Å; S603-P605 VanDerWaalsContact O-CD 3.25Å; S603-P605 WeakPolarHBondContact O-CD 3.33Å; S603-P605 VanDerWaalsContact O-N 3.17Å; S603-C894 CarbonylContact C-O 3.56Å; S603-C894 WeakPolarHBondContact CA-O 3.41Å; S603-G895 WeakPolarHBondContact CB-O 3.38Å
604	Q	92	Very high	86.4	Confident	13 Å²	13	16 Å²	16	6%	0.061	9%	0.091	C	C	.	.			trans	-56.4	118.3	179.1	177.1	64.4	51.4	0	0	110.9	D572 R668 T679 C894 G895	D572-Q604 HydrophobicContact CB-CB 4.26Å; D572-Q604 HydrophobicContact CB-CG 4.11Å; Q604-R668 VanDerWaalsContact OE1-CD 3.22Å; Q604-T679 HydrophobicContact CG-CG2 4.46Å; Q604-C894 PolarHBondContact N-O 3.12Å; Q604-G895 PolarHBondContact N-O 3.48Å; Q604-G895 VanDerWaalsContact N-O 3.17Å
605	P	90.8	Very high	86.2	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.			trans	-82.9	148.2	176.6	35.9	-37.9	0	0	0	111.5	L588 S603 I610 W664 M751 F752 F893	L588-P605 HydrophobicContact CD1-CB 4.23Å; L588-P605 HydrophobicContact CD2-CB 3.55Å; S603-P605 VanDerWaalsContact O-CD 3.25Å; S603-P605 WeakPolarHBondContact O-CD 3.33Å; S603-P605 VanDerWaalsContact O-N 3.17Å; P605-I610 HydrophobicContact CB-CG1 3.95Å; P605-I610 HydrophobicContact CG-CG1 4.17Å; P605-W664 HydrophobicContact CB-CH2 4.42Å; P605-W664 HydrophobicContact CB-CZ3 4.09Å; P605-W664 HydrophobicContact CG-CE3 4.22Å; P605-W664 HydrophobicContact CG-CZ3 3.76Å; P605-M751 WeakPolarHBondContact O-CE 3.41Å; P605-F752 HydrophobicContact CG-CZ 3.78Å; P605-F893 VanDerWaalsContact CD-CD2 3.4Å; P605-F893 HydrophobicContact CG-CD2 4.27Å; P605-F893 HydrophobicContact CG-CE2 4.29Å; P605-F893 HydrophobicContact CG-CG 4.48Å
606	D	86.8	Confident	86.4	Confident	52 Å²	52	19.7 Å²	19.7	28%	0.278	11%	0.109	S	C	.	.			trans	-93.8	178.1	165.4	69.7	-30.3	0	0	0	110.8	N608 G609 I610	D606-N608 VanDerWaalsContact C-N 3.29Å; D606-N608 PolarHBondContact O-N 2.72Å; D606-G609 PolarHBondContact O-N 3.22Å; D606-G609 VanDerWaalsContact OD1-CA 3.23Å; D606-G609 WeakPolarHBondContact OD1-CA 3.48Å; D606-G609 PolarHBondContact OD1-N 3.48Å; D606-I610 WeakPolarHBondContact O-CG1 3.15Å; D606-I610 PolarHBondContact O-N 2.87Å; D606-I610 VanDerWaalsContact O-N 3.1Å
607	T	86.9	Confident	86.6	Confident	10 Å²	10	20 Å²	20	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-40.2	-179.3	-57	0	0	0	0	111.5	I611 M751 A755 M758	T607-I611 HydrophobicContact CG2-CD1 4.2Å; T607-I611 WeakPolarHBondContact O-CD1 3.29Å; T607-I611 WeakPolarHBondContact O-CG1 3.43Å; T607-I611 PolarHBondContact O-N 3.01Å; T607-M751 WeakPolarHBondContact OG1-CG 3.15Å; T607-A755 HydrophobicContact CG2-CB 4.08Å; T607-M758 HydrophobicContact CG2-SD 4.43Å
608	N	85.2	Confident	86.2	Confident	101 Å²	101	19.5 Å²	19.5	54%	0.54	11%	0.106	S	C	.	.	H	α-helix	trans	-71.8	-40.3	-180	-67.2	-27.1	0	0	0	112.2	D606 I610 I611 N612	D606-N608 VanDerWaalsContact C-N 3.29Å; D606-N608 PolarHBondContact O-N 2.72Å; N608-I610 VanDerWaalsContact C-N 3.32Å; N608-I610 PolarHBondContact O-N 2.89Å; N608-I611 PolarHBondContact O-N 3.09Å; N608-N612 WeakPolarHBondContact O-CB 3.47Å; N608-N612 PolarHBondContact O-N 3.29Å; N608-N612 PolarHBondContact O-ND2 3.04Å
609	G	84.5	Confident	85.7	Confident	1 Å²	1	24 Å²	24	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-40.3	175.5	0	0	0	0	0	112.5	D606 N612 I613	D606-G609 PolarHBondContact O-N 3.22Å; D606-G609 VanDerWaalsContact OD1-CA 3.23Å; D606-G609 WeakPolarHBondContact OD1-CA 3.48Å; D606-G609 PolarHBondContact OD1-N 3.48Å; G609-N612 PolarHBondContact O-N 3.28Å; G609-I613 WeakPolarHBondContact O-CG1 3.43Å; G609-I613 PolarHBondContact O-N 2.88Å
610	I	87.6	Confident	85	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-50.3	173.1	-62.9	163.1	0	0	0	110.2	P605 D606 N608 N612 I613 H614 W664 M751 F752 A755 F756	P605-I610 HydrophobicContact CB-CG1 3.95Å; P605-I610 HydrophobicContact CG-CG1 4.17Å; D606-I610 WeakPolarHBondContact O-CG1 3.15Å; D606-I610 PolarHBondContact O-N 2.87Å; D606-I610 VanDerWaalsContact O-N 3.1Å; N608-I610 VanDerWaalsContact C-N 3.32Å; N608-I610 PolarHBondContact O-N 2.89Å; I610-N612 VanDerWaalsContact C-N 3.32Å; I610-N612 PolarHBondContact O-N 2.91Å; I610-I613 PolarHBondContact O-N 3.49Å; I610-H614 WeakPolarHBondContact O-CB 3.34Å; I610-H614 PolarHBondContact O-CD2 3.44Å; I610-H614 PolarHBondContact O-N 3.33Å; I610-W664 HydrophobicContact CG2-CZ2 4.37Å; I610-M751 HydrophobicContact CD1-CE 3.89Å; I610-F752 HydrophobicContact CD1-CD1 3.61Å; I610-F752 HydrophobicContact CD1-CD2 4.33Å; I610-F752 HydrophobicContact CD1-CE1 3.44Å; I610-F752 VanDerWaalsContact CD1-CE1 3.44Å; I610-F752 HydrophobicContact CD1-CE2 4.18Å; I610-F752 HydrophobicContact CD1-CG 4.07Å; I610-F752 HydrophobicContact CD1-CZ 3.75Å; I610-F752 HydrophobicContact CG1-CD1 4.35Å; I610-F752 HydrophobicContact CG1-CE1 3.84Å; I610-F752 HydrophobicContact CG1-CZ 4.27Å; I610-A755 HydrophobicContact CB-CB 4.08Å; I610-A755 HydrophobicContact CD1-CB 3.91Å; I610-A755 HydrophobicContact CG2-CB 3.87Å; I610-F756 HydrophobicContact CG2-CD1 4.3Å; I610-F756 HydrophobicContact CG2-CE1 4.08Å
611	I	84.8	Confident	84.4	Confident	22 Å²	22	25 Å²	25	11%	0.113	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-43.5	-179.8	-65.7	165	0	0	0	110.8	T607 N608 H614 N615 M758 V759	T607-I611 HydrophobicContact CG2-CD1 4.2Å; T607-I611 WeakPolarHBondContact O-CD1 3.29Å; T607-I611 WeakPolarHBondContact O-CG1 3.43Å; T607-I611 PolarHBondContact O-N 3.01Å; N608-I611 PolarHBondContact O-N 3.09Å; I611-H614 PolarHBondContact O-N 3.31Å; I611-N615 WeakPolarHBondContact O-CB 3.28Å; I611-N615 PolarHBondContact O-N 3.42Å; I611-N615 PolarHBondContact O-ND2 3.27Å; I611-M758 HydrophobicContact CD1-CB 4.12Å; I611-V759 HydrophobicContact CB-CG2 4.16Å; I611-V759 HydrophobicContact CG1-CG2 3.74Å; I611-V759 HydrophobicContact CG2-CG2 4.19Å
612	N	84.1	Confident	83.6	Confident	73 Å²	73	26.2 Å²	26.2	39%	0.39	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-47.7	179.9	-73.6	-18	0	0	0	112.1	N608 G609 I610 H614 N615 V616	N608-N612 WeakPolarHBondContact O-CB 3.47Å; N608-N612 PolarHBondContact O-N 3.29Å; N608-N612 PolarHBondContact O-ND2 3.04Å; G609-N612 PolarHBondContact O-N 3.28Å; I610-N612 VanDerWaalsContact C-N 3.32Å; I610-N612 PolarHBondContact O-N 2.91Å; N612-H614 PolarHBondContact O-N 3.26Å; N612-N615 PolarHBondContact O-N 3.16Å; N612-V616 VanDerWaalsContact O-CG2 3.29Å; N612-V616 WeakPolarHBondContact O-CG2 3.32Å; N612-V616 PolarHBondContact O-N 2.98Å
613	I	84.5	Confident	82.8	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-42.9	177.6	-68.9	-57.8	0	0	0	111.5	L588 F591 G609 I610 N615 V616 L617 W664 I891	L588-I613 HydrophobicContact CD1-CD1 4.08Å; L588-I613 HydrophobicContact CD1-CG1 3.48Å; L588-I613 VanDerWaalsContact CD1-CG1 3.48Å; L588-I613 HydrophobicContact CG-CG1 4.16Å; F591-I613 HydrophobicContact CD2-CD1 3.79Å; F591-I613 HydrophobicContact CD2-CG1 4.42Å; F591-I613 HydrophobicContact CE1-CD1 4.35Å; F591-I613 HydrophobicContact CE2-CD1 3.55Å; F591-I613 HydrophobicContact CE2-CG1 4.11Å; F591-I613 HydrophobicContact CE2-CG2 4.27Å; F591-I613 HydrophobicContact CG-CD1 4.31Å; F591-I613 HydrophobicContact CZ-CD1 3.85Å; G609-I613 WeakPolarHBondContact O-CG1 3.43Å; G609-I613 PolarHBondContact O-N 2.88Å; I610-I613 PolarHBondContact O-N 3.49Å; I613-N615 VanDerWaalsContact C-N 3.31Å; I613-N615 PolarHBondContact O-N 2.78Å; I613-V616 PolarHBondContact O-N 3.36Å; I613-L617 HydrophobicContact CG2-CD1 3.79Å; I613-L617 HydrophobicContact CG2-CG 4.32Å; I613-L617 WeakPolarHBondContact O-CB 3.49Å; I613-L617 WeakPolarHBondContact O-CG 3.35Å; I613-L617 PolarHBondContact O-N 3.25Å; I613-W664 HydrophobicContact CB-CH2 4.32Å; I613-W664 HydrophobicContact CB-CZ2 4.15Å; I613-W664 HydrophobicContact CG1-CH2 4.37Å; I613-W664 HydrophobicContact CG2-CH2 4.26Å; I613-W664 HydrophobicContact CG2-CZ2 3.93Å; I613-I891 HydrophobicContact CG2-CD1 4.05Å
614	H	84.2	Confident	81.8	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.2	-48.6	174.4	-82.5	-130.6	0	0	0	110.1	I610 I611 N612 V616 T618 M662 W664 F756 V759	I610-H614 WeakPolarHBondContact O-CB 3.34Å; I610-H614 PolarHBondContact O-CD2 3.44Å; I610-H614 PolarHBondContact O-N 3.33Å; I611-H614 PolarHBondContact O-N 3.31Å; N612-H614 PolarHBondContact O-N 3.26Å; H614-V616 PolarHBondContact O-N 3.49Å; H614-T618 WeakPolarHBondContact O-CB 3.36Å; H614-T618 PolarHBondContact O-N 3.16Å; H614-T618 PolarHBondContact O-OG1 3.32Å; H614-M662 HydrophobicContact CB-CE 3.87Å; H614-M662 HydrophobicContact CB-SD 4.06Å; H614-M662 PolarHBondContact CD2-SD 2.73Å; H614-M662 VanDerWaalsContact CE1-CE 3.42Å; H614-M662 WeakPolarHBondContact CE1-CE 3.41Å; H614-M662 WeakPolarHBondContact ND1-CE 3.39Å; H614-W664 AromaticContact CD2-NE1 3.78Å; H614-W664 AromaticContact NE2-NE1 3.15Å; H614-W664 PolarHBondContact NE2-NE1 3.36Å; H614-W664 VanDerWaalsContact NE2-NE1 3.15Å; H614-F756 AromaticContact CE1-CD1 3.63Å; H614-F756 AromaticContact CE1-CE1 3.72Å; H614-F756 AromaticContact NE2-CD1 3.97Å; H614-F756 AromaticContact NE2-CE1 3.67Å; H614-V759 HydrophobicContact CB-CG1 4.17Å; H614-V759 HydrophobicContact CB-CG2 4.27Å
615	N	79.9	Confident	80.8	Confident	29 Å²	29	29.5 Å²	29.5	16%	0.155	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-44.4	178.7	-69.4	-20.7	0	0	0	113.1	I611 N612 I613 T618 K619 I762	I611-N615 WeakPolarHBondContact O-CB 3.28Å; I611-N615 PolarHBondContact O-N 3.42Å; I611-N615 PolarHBondContact O-ND2 3.27Å; N612-N615 PolarHBondContact O-N 3.16Å; I613-N615 VanDerWaalsContact C-N 3.31Å; I613-N615 PolarHBondContact O-N 2.78Å; N615-T618 PolarHBondContact O-N 3.44Å; N615-K619 WeakPolarHBondContact O-CB 3.43Å; N615-K619 VanDerWaalsContact O-CG 3.32Å; N615-K619 WeakPolarHBondContact O-CG 3.42Å; N615-K619 PolarHBondContact O-N 3.32Å; N615-I762 WeakPolarHBondContact OD1-CG1 3.37Å
616	V	80.5	Confident	79.7	Confident	78 Å²	78	31.4 Å²	31.4	47%	0.473	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-48.9	-179.4	169.4	0	0	0	0	110.9	N612 I613 H614 K619 A620	N612-V616 VanDerWaalsContact O-CG2 3.29Å; N612-V616 WeakPolarHBondContact O-CG2 3.32Å; N612-V616 PolarHBondContact O-N 2.98Å; I613-V616 PolarHBondContact O-N 3.36Å; H614-V616 PolarHBondContact O-N 3.49Å; V616-K619 PolarHBondContact O-N 3.43Å; V616-A620 WeakPolarHBondContact O-CB 3.39Å; V616-A620 PolarHBondContact O-N 3.31Å
617	L	79	Confident	78.7	Confident	15 Å²	15	36.3 Å²	36.3	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-42.4	178.5	-70	175.2	0	0	0	111.2	Y600 I613 K619 A620 Y621 M662 I891	Y600-L617 HydrophobicContact CE1-CD2 4.45Å; I613-L617 HydrophobicContact CG2-CD1 3.79Å; I613-L617 HydrophobicContact CG2-CG 4.32Å; I613-L617 WeakPolarHBondContact O-CB 3.49Å; I613-L617 WeakPolarHBondContact O-CG 3.35Å; I613-L617 PolarHBondContact O-N 3.25Å; L617-K619 PolarHBondContact O-N 3.07Å; L617-A620 WeakPolarHBondContact O-CB 3.45Å; L617-A620 PolarHBondContact O-N 3.23Å; L617-A620 VanDerWaalsContact O-N 3.16Å; L617-Y621 HydrophobicContact CB-CD2 4.5Å; L617-Y621 WeakPolarHBondContact O-CD2 3.41Å; L617-Y621 PolarHBondContact O-N 3.23Å; L617-M662 HydrophobicContact CD1-CG 4.42Å; L617-M662 HydrophobicContact CD1-SD 4.13Å; L617-I891 HydrophobicContact CD1-CD1 4.37Å
618	T	76.9	Confident	77.3	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-49.8	176.3	-61.5	0	0	0	0	111.4	H614 N615 A620 Y621 W622 I762 V791 Y795 L799	H614-T618 WeakPolarHBondContact O-CB 3.36Å; H614-T618 PolarHBondContact O-N 3.16Å; H614-T618 PolarHBondContact O-OG1 3.32Å; N615-T618 PolarHBondContact O-N 3.44Å; T618-A620 PolarHBondContact O-N 3.33Å; T618-Y621 PolarHBondContact O-N 2.81Å; T618-W622 VanDerWaalsContact O-CB 3.28Å; T618-W622 WeakPolarHBondContact O-CB 3.4Å; T618-W622 PolarHBondContact O-N 3.35Å; T618-I762 HydrophobicContact CG2-CD1 3.8Å; T618-V791 HydrophobicContact CG2-CG1 3.93Å; T618-Y795 HydrophobicContact CG2-CD1 3.78Å; T618-Y795 HydrophobicContact CG2-CE1 3.66Å; T618-L799 HydrophobicContact CG2-CD1 3.54Å; T618-L799 VanDerWaalsContact OG1-CD1 3.29Å; T618-L799 WeakPolarHBondContact OG1-CD1 3.27Å
619	K	77.1	Confident	76.1	Confident	95 Å²	95	38.4 Å²	38.4	41%	0.413	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-42.3	176.9	-73.7	177.9	-179.9	-175.8	0	111.7	N615 V616 L617 Y621 W622 N623 V791	N615-K619 WeakPolarHBondContact O-CB 3.43Å; N615-K619 VanDerWaalsContact O-CG 3.32Å; N615-K619 WeakPolarHBondContact O-CG 3.42Å; N615-K619 PolarHBondContact O-N 3.32Å; V616-K619 PolarHBondContact O-N 3.43Å; L617-K619 PolarHBondContact O-N 3.07Å; K619-Y621 PolarHBondContact O-N 3.37Å; K619-W622 PolarHBondContact O-N 3.13Å; K619-N623 WeakPolarHBondContact O-CB 3.45Å; K619-N623 PolarHBondContact O-N 3.49Å; K619-N623 PolarHBondContact O-ND2 2.89Å; K619-N623 PolarHBondContact O-OD1 3.4Å; K619-V791 HydrophobicContact CG-CG2 4.41Å
620	A	76.6	Confident	74.2	Confident	30 Å²	30	48.5 Å²	48.5	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-46.4	177.9	0	0	0	0	0	112.2	V616 L617 T618 N623 I624	V616-A620 WeakPolarHBondContact O-CB 3.39Å; V616-A620 PolarHBondContact O-N 3.31Å; L617-A620 WeakPolarHBondContact O-CB 3.45Å; L617-A620 PolarHBondContact O-N 3.23Å; L617-A620 VanDerWaalsContact O-N 3.16Å; T618-A620 PolarHBondContact O-N 3.33Å; A620-N623 PolarHBondContact O-N 3.4Å; A620-I624 WeakPolarHBondContact O-CG1 3.45Å; A620-I624 PolarHBondContact O-N 3.45Å
621	Y	77.8	Confident	72	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-71.1	-35.9	178.6	-81.3	-70.9	0	0	0	113.7	L617 T618 K619 I624 S625 I658 P660 T841 V887 N889	L617-Y621 HydrophobicContact CB-CD2 4.5Å; L617-Y621 WeakPolarHBondContact O-CD2 3.41Å; L617-Y621 PolarHBondContact O-N 3.23Å; T618-Y621 PolarHBondContact O-N 2.81Å; K619-Y621 PolarHBondContact O-N 3.37Å; Y621-I624 HydrophobicContact CD1-CD1 4.39Å; Y621-I624 PolarHBondContact O-N 2.75Å; Y621-S625 PolarHBondContact O-N 3.18Å; Y621-S625 PolarHBondContact O-OG 2.76Å; Y621-I658 HydrophobicContact CD1-CG2 3.56Å; Y621-I658 HydrophobicContact CE1-CG2 4.12Å; Y621-I658 HydrophobicContact CG-CG2 4.4Å; Y621-P660 HydrophobicContact CD2-CB 3.84Å; Y621-P660 HydrophobicContact CD2-CG 3.6Å; Y621-P660 HydrophobicContact CE2-CB 4.09Å; Y621-P660 HydrophobicContact CE2-CG 4.36Å; Y621-P660 HydrophobicContact CG-CB 4.29Å; Y621-P660 HydrophobicContact CG-CG 3.76Å; Y621-T841 HydrophobicContact CE1-CG2 4.35Å; Y621-T841 WeakPolarHBondContact CE1-OG1 3.34Å; Y621-V887 HydrophobicContact CD1-CG2 3.88Å; Y621-V887 HydrophobicContact CE1-CB 4.27Å; Y621-V887 HydrophobicContact CE1-CG2 3.52Å; Y621-V887 HydrophobicContact CG-CG2 4.48Å; Y621-N889 VanDerWaalsContact CE2-ND2 3.28Å; Y621-N889 WeakPolarHBondContact CE2-ND2 3.24Å; Y621-N889 PolarHBondContact OH-ND2 2.55Å; Y621-N889 VanDerWaalsContact OH-ND2 3.12Å; Y621-N889 PolarHBondContact OH-OD1 3.39Å
622	W	75.7	Confident	69.7	Low	24 Å²	24	53.9 Å²	53.9	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-47.1	172.7	-178.4	-110.7	0	0	0	111.1	T618 K619 I624 S625 L626 V657 F788 V791 P792 Y795	T618-W622 VanDerWaalsContact O-CB 3.28Å; T618-W622 WeakPolarHBondContact O-CB 3.4Å; T618-W622 PolarHBondContact O-N 3.35Å; K619-W622 PolarHBondContact O-N 3.13Å; W622-I624 VanDerWaalsContact C-N 3.26Å; W622-I624 PolarHBondContact O-N 3.37Å; W622-S625 WeakPolarHBondContact O-CA 3.29Å; W622-S625 WeakPolarHBondContact O-CB 3.32Å; W622-S625 PolarHBondContact O-N 3.2Å; W622-L626 HydrophobicContact CZ2-CD2 4.01Å; W622-L626 HydrophobicContact CZ2-CG 4.47Å; W622-L626 PolarHBondContact O-N 3.33Å; W622-V657 HydrophobicContact CZ3-CG1 4.47Å; W622-F788 PolarHBondContact NE1-O 3.35Å; W622-V791 HydrophobicContact CB-CG2 4.14Å; W622-V791 HydrophobicContact CG-CG2 3.91Å; W622-P792 HydrophobicContact CH2-CG 3.77Å; W622-P792 HydrophobicContact CZ2-CG 4.12Å; W622-P792 HydrophobicContact CZ3-CG 4.3Å; W622-Y795 HydrophobicContact CE3-CD2 4.24Å; W622-Y795 HydrophobicContact CE3-CE1 4.43Å; W622-Y795 HydrophobicContact CE3-CE2 4.21Å; W622-Y795 HydrophobicContact CE3-CG 4.4Å; W622-Y795 HydrophobicContact CZ3-CD2 4.31Å
623	N	72.6	Confident	67.3	Low	71 Å²	71	55.6 Å²	55.6	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-34.3	178	-71.4	-11.6	0	0	0	112.9	K619 A620 K627	K619-N623 WeakPolarHBondContact O-CB 3.45Å; K619-N623 PolarHBondContact O-N 3.49Å; K619-N623 PolarHBondContact O-ND2 2.89Å; K619-N623 PolarHBondContact O-OD1 3.4Å; A620-N623 PolarHBondContact O-N 3.4Å; N623-K627 WeakPolarHBondContact O-CG 3.48Å; N623-K627 PolarHBondContact O-N 3.42Å
624	I	70.5	Confident	64.8	Low	13 Å²	13	59.5 Å²	59.5	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-41.6	173.9	-60.3	164.2	0	0	0	110.7	A620 Y621 W622 L626 K627 N628 I658 L845	A620-I624 WeakPolarHBondContact O-CG1 3.45Å; A620-I624 PolarHBondContact O-N 3.45Å; Y621-I624 HydrophobicContact CD1-CD1 4.39Å; Y621-I624 PolarHBondContact O-N 2.75Å; W622-I624 VanDerWaalsContact C-N 3.26Å; W622-I624 PolarHBondContact O-N 3.37Å; I624-L626 VanDerWaalsContact C-N 3.28Å; I624-L626 PolarHBondContact O-N 3.35Å; I624-K627 PolarHBondContact O-N 3Å; I624-K627 VanDerWaalsContact O-N 3.15Å; I624-N628 PolarHBondContact O-N 3.49Å; I624-N628 VanDerWaalsContact O-N 3.07Å; I624-I658 HydrophobicContact CB-CD1 4.24Å; I624-I658 HydrophobicContact CG2-CD1 3.62Å; I624-L845 HydrophobicContact CD1-CD1 3.84Å; I624-L845 HydrophobicContact CD1-CD2 3.73Å; I624-L845 HydrophobicContact CD1-CG 3.55Å; I624-L845 HydrophobicContact CG1-CD2 4.1Å; I624-L845 HydrophobicContact CG1-CG 4.37Å
625	S	69.9	Low	62.2	Low	1 Å²	1	68 Å²	68	1%	0.007	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-43.4	176.7	-59	0	0	0	0	110.8	Y621 W622 K627 N628 I629 I658	Y621-S625 PolarHBondContact O-N 3.18Å; Y621-S625 PolarHBondContact O-OG 2.76Å; W622-S625 WeakPolarHBondContact O-CA 3.29Å; W622-S625 WeakPolarHBondContact O-CB 3.32Å; W622-S625 PolarHBondContact O-N 3.2Å; S625-K627 PolarHBondContact O-N 3.15Å; S625-N628 PolarHBondContact O-N 3Å; S625-N628 VanDerWaalsContact O-N 3.17Å; S625-I629 WeakPolarHBondContact O-CG1 3.49Å; S625-I629 PolarHBondContact O-N 3.33Å; S625-I658 WeakPolarHBondContact OG-CB 3.34Å; S625-I658 PolarHBondContact OG-N 3.43Å
626	L	68.3	Low	59.9	Low	40 Å²	40	75 Å²	75	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-42.9	174	-69.1	176.6	0	0	0	112.7	W622 I624 N628 I629 F788	W622-L626 HydrophobicContact CZ2-CD2 4.01Å; W622-L626 HydrophobicContact CZ2-CG 4.47Å; W622-L626 PolarHBondContact O-N 3.33Å; I624-L626 VanDerWaalsContact C-N 3.28Å; I624-L626 PolarHBondContact O-N 3.35Å; L626-N628 PolarHBondContact O-N 3Å; L626-I629 HydrophobicContact CD2-CD1 4.26Å; L626-I629 PolarHBondContact O-N 3.41Å; L626-F788 WeakPolarHBondContact CD1-O 3.3Å
627	K	65.2	Low	57.4	Low	155 Å²	155	78.1 Å²	78.1	67%	0.674	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-28.2	176.3	-73.9	176.1	-178	-178.3	0	113.3	N623 I624 S625	N623-K627 WeakPolarHBondContact O-CG 3.48Å; N623-K627 PolarHBondContact O-N 3.42Å; I624-K627 PolarHBondContact O-N 3Å; I624-K627 VanDerWaalsContact O-N 3.15Å; S625-K627 PolarHBondContact O-N 3.15Å
628	N	59.4	Low	54.9	Low	101 Å²	101	84.5 Å²	84.5	54%	0.54	42%	0.422	S	S	.	.	H	α-helix	trans	-83.9	-15.2	179.4	-72	-19.8	0	0	0	113.4	I624 S625 L626 R630	I624-N628 PolarHBondContact O-N 3.49Å; I624-N628 VanDerWaalsContact O-N 3.07Å; S625-N628 PolarHBondContact O-N 3Å; S625-N628 VanDerWaalsContact O-N 3.17Å; L626-N628 PolarHBondContact O-N 3Å; N628-R630 PolarHBondContact O-N 3.42Å
629	I	58.8	Low	52.6	Low	54 Å²	54	90 Å²	90	28%	0.277	46%	0.461	S	S	.	.			trans	-71.6	98.4	171.2	-63.4	169.1	0	0	0	107.2	S625 L626 Y655	S625-I629 WeakPolarHBondContact O-CG1 3.49Å; S625-I629 PolarHBondContact O-N 3.33Å; L626-I629 HydrophobicContact CD2-CD1 4.26Å; L626-I629 PolarHBondContact O-N 3.41Å; I629-Y655 HydrophobicContact CB-CD1 4.46Å; I629-Y655 HydrophobicContact CG1-CD1 4.19Å; I629-Y655 HydrophobicContact CG2-CD1 3.99Å; I629-Y655 HydrophobicContact CG2-CE1 3.86Å
630	R	45.6	Very low	50.1	Low	213 Å²	213	95.2 Å²	95.2	80%	0.804	48%	0.483	S	S	*	.			trans	-71.7	128.4	166.2	-69.5	-173.2	-175.2	-171.2	1.8	107.8	N628 V632	N628-R630 PolarHBondContact O-N 3.42Å; R630-V632 PolarHBondContact O-N 3.03Å
631	P	41	Very low	47.7	Very low	77 Å²	77	103.3 Å²	103.3	50%	0.5	51%	0.512	S	S	.	.			trans	-59	131.1	169.5	23.8	-30.1	0	0	0	108.1	V633 L872	P631-V633 VanDerWaalsContact C-N 3.3Å; P631-V633 PolarHBondContact O-N 3.01Å; P631-L872 HydrophobicContact CB-CD2 4.36Å
632	V	35.9	Very low	45.1	Very low	59 Å²	59	108 Å²	108	36%	0.358	55%	0.546	S	S	.	.			trans	-65.3	99.2	168.1	177.3	0	0	0	0	105.5	R630 N634 N653	R630-V632 PolarHBondContact O-N 3.03Å; V632-N634 VanDerWaalsContact C-N 3.25Å; V632-N634 PolarHBondContact O-N 3.23Å; V632-N653 WeakPolarHBondContact CG2-ND2 3.42Å
633	V	33.8	Very low	42.8	Very low	109 Å²	109	112 Å²	112	66%	0.661	58%	0.577	S	S	*	*			trans	-69.2	98	166.6	-175	0	0	0	0	104.6	P631 E635	P631-V633 VanDerWaalsContact C-N 3.3Å; P631-V633 PolarHBondContact O-N 3.01Å; V633-E635 HydrophobicContact CG1-CG 4.11Å; V633-E635 PolarHBondContact O-N 3.19Å
634	N	32	Very low	40.6	Very low	83 Å²	83	117.9 Å²	117.9	44%	0.444	60%	0.602	S	S	.	*			trans	-59.8	91.1	162.5	-83.8	-25.5	0	0	0	106.6	V632 F636 D871	V632-N634 VanDerWaalsContact C-N 3.25Å; V632-N634 PolarHBondContact O-N 3.23Å; N634-F636 HydrophobicContact CB-CD2 4.01Å; N634-F636 PolarHBondContact O-N 3.12Å; N634-D871 PolarHBondContact ND2-OD1 3.22Å
635	E	30.4	Very low	38.4	Very low	180 Å²	180	127 Å²	127	84%	0.841	64%	0.641	S	S	*	*			trans	-69.2	61.4	166.6	-73.2	-172.4	166.2	0	0	109.3	V633 N637	V633-E635 HydrophobicContact CG1-CG 4.11Å; V633-E635 PolarHBondContact O-N 3.19Å; E635-N637 VanDerWaalsContact C-N 3.29Å; E635-N637 PolarHBondContact O-N 2.9Å
636	F	31.1	Very low	36.4	Very low	175 Å²	175	132.1 Å²	132.1	77%	0.768	68%	0.677	S	S	*	*			trans	-81.1	86.7	154.3	-77.6	-73.4	0	0	0	106.7	N634	N634-F636 HydrophobicContact CB-CD2 4.01Å; N634-F636 PolarHBondContact O-N 3.12Å
637	N	27.2	Very low	34.6	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	70%	0.702	S	S	*	*			trans	-165.4	101	136.3	-94	-30.6	0	0	0	112.1	E635	E635-N637 VanDerWaalsContact C-N 3.29Å; E635-N637 PolarHBondContact O-N 2.9Å
638	N	27.6	Very low	32.8	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	71%	0.713	S	S	*	*			trans	61.3	85.1	135.3	-64.7	-25.6	0	0	0	119
639	S	28	Very low	31.4	Very low	118 Å²	118	133.4 Å²	133.4	83%	0.825	71%	0.712	S	S	*	*				-161.2	104.1	125.5	57.5	0	0	0	0	113
640	K	26	Very low	30.1	Very low	203 Å²	203	140.4 Å²	140.4	88%	0.883	74%	0.74	S	S	*	*			trans	16.6	111.5	142.7	-64.5	174.3	176.6	173	0	117
641	K	24.8	Very low	29.6	Very low	200 Å²	200	137.3 Å²	137.3	87%	0.87	74%	0.74	S	S	*	*				169.2	131.3	108.9	-93.4	173.7	179.5	-179.7	0	112
642	S	24.5	Very low	29.4	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	74%	0.738	S	S	*	*			trans	52.9	96.6	150.4	54.7	0	0	0	0	119.4
643	S	26	Very low	29.8	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	74%	0.742	S	S	*	*				34.2	101.9	116.4	62.9	0	0	0	0	118.3
644	E	27.6	Very low	30.4	Very low	195 Å²	195	136.1 Å²	136.1	91%	0.911	73%	0.73	S	S	*	*				-135.5	119	127.4	-76.8	-166.4	159.2	0	0	108.5	S646	E644-S646 PolarHBondContact O-N 3.36Å
645	K	23.7	Very low	31.6	Very low	205 Å²	205	134.9 Å²	134.9	89%	0.891	72%	0.72	S	S	*	*			trans	-74.3	109.6	171.4	-70.1	172.5	175	177.1	0	107.4
646	S	27.9	Very low	33.1	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	70%	0.7	S	S	*	*			trans	-88.3	94.4	147.7	58.1	0	0	0	0	107.7	E644 N648	E644-S646 PolarHBondContact O-N 3.36Å; S646-N648 PolarHBondContact O-N 3.5Å
647	S	30.7	Very low	34.8	Very low	105 Å²	105	121 Å²	121	73%	0.734	67%	0.667	S	S	*	*	S	Bend	trans	-63.4	121.1	161	46.7	0	0	0	0	108.4
648	N	27.1	Very low	37.1	Very low	168 Å²	168	114.5 Å²	114.5	90%	0.898	63%	0.632	S	S	*	*	S	Bend	trans	87.5	73.3	-178.7	-58.9	-12.5	0	0	0	116.2	S646	S646-N648 PolarHBondContact O-N 3.5Å
649	G	29.4	Very low	39.4	Very low	50 Å²	50	108.2 Å²	108.2	52%	0.515	60%	0.598	S	S	.	*			trans	-159.9	83.5	158.6	0	0	0	0	0	108.8	D651	G649-D651 PolarHBondContact O-N 2.71Å
650	K	32.8	Very low	41.9	Very low	201 Å²	201	102.6 Å²	102.6	87%	0.874	56%	0.559	S	S	*	*			trans	-65.6	98.2	159.5	-81.8	-175.9	176.9	-179.1	0	104.9	V652	K650-V652 PolarHBondContact O-N 3.02Å
651	D	33.8	Very low	44.7	Very low	149 Å²	149	94.3 Å²	94.3	80%	0.797	52%	0.523	S	S	*	.			trans	-64.5	87.8	168.3	-74.8	-31.1	0	0	0	107.4	G649 N653	G649-D651 PolarHBondContact O-N 2.71Å; D651-N653 PolarHBondContact O-N 3.18Å
652	V	38.3	Very low	47.7	Very low	75 Å²	75	84.8 Å²	84.8	46%	0.455	48%	0.482	S	S	.	.			trans	-65.2	105.2	168.1	-178.8	0	0	0	0	105.2	K650 S654 L881	K650-V652 PolarHBondContact O-N 3.02Å; V652-S654 VanDerWaalsContact C-N 3.29Å; V652-S654 PolarHBondContact O-N 2.9Å; V652-L881 HydrophobicContact CG1-CB 4.13Å
653	N	43.2	Very low	51	Low	85 Å²	85	80 Å²	80	46%	0.455	45%	0.448	S	S	.	.			trans	-57.4	94.1	172.5	-82.2	-25.4	0	0	0	109	V632 D651 Y655 T880	V632-N653 WeakPolarHBondContact CG2-ND2 3.42Å; D651-N653 PolarHBondContact O-N 3.18Å; N653-Y655 HydrophobicContact CB-CE2 3.98Å; N653-Y655 WeakPolarHBondContact O-CD2 3.47Å; N653-Y655 PolarHBondContact O-N 3.08Å; N653-T880 WeakPolarHBondContact O-CG2 3.46Å
654	S	46.5	Very low	54.3	Low	59 Å²	59	75 Å²	75	41%	0.413	41%	0.413	S	S	.	.			trans	-81.7	105.9	178.2	62.1	0	0	0	0	109	V652 L881 N883	V652-S654 VanDerWaalsContact C-N 3.29Å; V652-S654 PolarHBondContact O-N 2.9Å; S654-L881 WeakPolarHBondContact CB-O 3.27Å; S654-N883 WeakPolarHBondContact CB-ND2 3.47Å; S654-N883 PolarHBondContact OG-ND2 3.14Å; S654-N883 VanDerWaalsContact OG-ND2 3.14Å
655	Y	57.6	Low	57.6	Low	58 Å²	58	65.7 Å²	65.7	23%	0.227	37%	0.37	C	S	.	.			trans	-83.5	124.8	171.7	-61.3	-79.8	0	0	0	109	I629 N653 V657 P875 T880 N883	I629-Y655 HydrophobicContact CB-CD1 4.46Å; I629-Y655 HydrophobicContact CG1-CD1 4.19Å; I629-Y655 HydrophobicContact CG2-CD1 3.99Å; I629-Y655 HydrophobicContact CG2-CE1 3.86Å; N653-Y655 HydrophobicContact CB-CE2 3.98Å; N653-Y655 WeakPolarHBondContact O-CD2 3.47Å; N653-Y655 PolarHBondContact O-N 3.08Å; Y655-V657 PolarHBondContact O-N 2.99Å; Y655-P875 HydrophobicContact CD2-CG 4.17Å; Y655-P875 HydrophobicContact CE2-CG 4Å; Y655-T880 HydrophobicContact CD2-CG2 4.4Å; Y655-N883 PolarHBondContact O-N 3.49Å
656	A	60.8	Low	61	Low	51 Å²	51	56 Å²	56	42%	0.421	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	104.2	175.8	0	0	0	0	0	109.7	N883 V885	A656-N883 VanDerWaalsContact CA-O 3.26Å; A656-N883 WeakPolarHBondContact CA-O 3.37Å; A656-V885 HydrophobicContact CB-CG2 4.08Å
657	V	68.6	Low	64.1	Low	11 Å²	11	50.8 Å²	50.8	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.3	175.1	172.4	0	0	0	0	109.1	W622 Y655 M659 Y795 L882 N883 V885	W622-V657 HydrophobicContact CZ3-CG1 4.47Å; Y655-V657 PolarHBondContact O-N 2.99Å; V657-M659 HydrophobicContact CG1-CE 3.94Å; V657-M659 PolarHBondContact O-N 2.86Å; V657-Y795 HydrophobicContact CG1-CD2 4.15Å; V657-Y795 HydrophobicContact CG1-CE2 3.71Å; V657-L882 HydrophobicContact CB-CD2 3.55Å; V657-L882 HydrophobicContact CG1-CD2 4.36Å; V657-L882 HydrophobicContact CG2-CD2 3.22Å; V657-N883 PolarHBondContact N-O 2.62Å; V657-N883 VanDerWaalsContact N-O 3.15Å; V657-V885 PolarHBondContact O-N 3.27Å
658	I	73.7	Confident	66.9	Low	8 Å²	8	45.9 Å²	45.9	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.1	178.5	-64	160.4	0	0	0	107.8	Y621 I624 S625 Y795 T841 V887	Y621-I658 HydrophobicContact CD1-CG2 3.56Å; Y621-I658 HydrophobicContact CE1-CG2 4.12Å; Y621-I658 HydrophobicContact CG-CG2 4.4Å; I624-I658 HydrophobicContact CB-CD1 4.24Å; I624-I658 HydrophobicContact CG2-CD1 3.62Å; S625-I658 WeakPolarHBondContact OG-CB 3.34Å; S625-I658 PolarHBondContact OG-N 3.43Å; I658-Y795 VanDerWaalsContact O-CE2 3.24Å; I658-Y795 WeakPolarHBondContact O-CE2 3.13Å; I658-Y795 VanDerWaalsContact O-CZ 3.3Å; I658-Y795 PolarHBondContact O-OH 3.5Å; I658-T841 HydrophobicContact CD1-CG2 3.74Å; I658-T841 HydrophobicContact CG1-CG2 4.48Å; I658-T841 HydrophobicContact CG2-CG2 4.49Å; I658-V887 HydrophobicContact CG2-CB 4.07Å; I658-V887 HydrophobicContact CG2-CG1 3.48Å; I658-V887 VanDerWaalsContact CG2-CG1 3.48Å; I658-V887 HydrophobicContact CG2-CG2 3.37Å
659	M	76.7	Confident	69.7	Low	16 Å²	16	38.2 Å²	38.2	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.1	-177.1	-74.1	-73.5	-177.1	0	0	109.4	V657 Y795 Y798 K884 V885 A886 V887	V657-M659 HydrophobicContact CG1-CE 3.94Å; V657-M659 PolarHBondContact O-N 2.86Å; M659-Y795 HydrophobicContact CE-CD2 3.52Å; M659-Y795 HydrophobicContact CE-CE2 3.88Å; M659-Y795 HydrophobicContact CG-CE2 4.35Å; M659-Y795 HydrophobicContact SD-CD2 3.39Å; M659-Y795 WeakPolarHBondContact SD-CD2 3.35Å; M659-Y795 HydrophobicContact SD-CE2 3.34Å; M659-Y795 WeakPolarHBondContact SD-CE2 3.29Å; M659-Y795 HydrophobicContact SD-CG 4.4Å; M659-Y798 HydrophobicContact CB-CD1 4.14Å; M659-Y798 HydrophobicContact CB-CE1 3.62Å; M659-Y798 HydrophobicContact CG-CD1 4.29Å; M659-Y798 HydrophobicContact CG-CE1 4.08Å; M659-Y798 HydrophobicContact SD-CD1 3.65Å; M659-Y798 HydrophobicContact SD-CE1 4.06Å; M659-Y798 HydrophobicContact SD-CG 4.1Å; M659-K884 HydrophobicContact CE-CG 4.44Å; M659-K884 HydrophobicContact CG-CB 4.12Å; M659-K884 HydrophobicContact CG-CD 4.48Å; M659-K884 HydrophobicContact CG-CG 4.17Å; M659-V885 PolarHBondContact N-O 2.87Å; M659-A886 WeakPolarHBondContact O-CA 3.43Å; M659-V887 PolarHBondContact O-N 2.82Å
660	P	79.6	Confident	72.5	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	156.2	179.4	7.2	-7	0	0	0	114	Y621 Y795 L799 V887	Y621-P660 HydrophobicContact CD2-CB 3.84Å; Y621-P660 HydrophobicContact CD2-CG 3.6Å; Y621-P660 HydrophobicContact CE2-CB 4.09Å; Y621-P660 HydrophobicContact CE2-CG 4.36Å; Y621-P660 HydrophobicContact CG-CB 4.29Å; Y621-P660 HydrophobicContact CG-CG 3.76Å; P660-Y795 WeakPolarHBondContact CD-OH 3.45Å; P660-L799 VanDerWaalsContact C-CD2 3.44Å; P660-L799 HydrophobicContact CB-CD2 3.55Å; P660-L799 HydrophobicContact CG-CD1 4.26Å; P660-L799 HydrophobicContact CG-CD2 3.36Å; P660-L799 HydrophobicContact CG-CG 4.36Å; P660-L799 WeakPolarHBondContact O-CD2 3.46Å; P660-V887 CarbonylContact C-O 3.09Å; P660-V887 VanDerWaalsContact CA-CG2 3.4Å; P660-V887 VanDerWaalsContact CA-O 3.29Å; P660-V887 WeakPolarHBondContact CA-O 3.37Å; P660-V887 HydrophobicContact CB-CG2 3.85Å; P660-V887 HydrophobicContact CG-CG2 4.45Å
661	Q	85.9	Confident	75.1	Confident	28 Å²	28	28.3 Å²	28.3	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.2	169.6	-175.7	-174.5	18.6	0	0	106.6	I663 H802 Q804 V887 T888 N889	Q661-I663 HydrophobicContact CG-CG1 4.34Å; Q661-H802 HydrophobicContact CG-CB 4.3Å; Q661-H802 VanDerWaalsContact CG-O 3.31Å; Q661-H802 WeakPolarHBondContact CG-O 3.41Å; Q661-H802 PolarHBondContact NE2-O 3.33Å; Q661-Q804 VanDerWaalsContact NE2-NE2 3.2Å; Q661-V887 PolarHBondContact N-O 2.95Å; Q661-T888 CarbonylContact O-C 3.32Å; Q661-T888 PolarHBondContact OE1-OG1 3.42Å; Q661-N889 PolarHBondContact O-N 3.42Å
662	M	88.1	Confident	77.7	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.1	-179.7	-71.7	171.8	-80.8	0	0	109.8	H614 L617 L799 A803 Q804	H614-M662 HydrophobicContact CB-CE 3.87Å; H614-M662 HydrophobicContact CB-SD 4.06Å; H614-M662 PolarHBondContact CD2-SD 2.73Å; H614-M662 VanDerWaalsContact CE1-CE 3.42Å; H614-M662 WeakPolarHBondContact CE1-CE 3.41Å; H614-M662 WeakPolarHBondContact ND1-CE 3.39Å; L617-M662 HydrophobicContact CD1-CG 4.42Å; L617-M662 HydrophobicContact CD1-SD 4.13Å; M662-L799 HydrophobicContact CE-CB 4.42Å; M662-L799 HydrophobicContact CE-CD2 4.1Å; M662-A803 WeakPolarHBondContact O-CA 3.43Å; M662-Q804 PolarHBondContact O-N 3.35Å
663	I	93.3	Very high	80.2	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	108	178.2	-54.5	-174.3	0	0	0	108	Q661 I665 Q804 L827 N831 T888 N889 L890 I891	Q661-I663 HydrophobicContact CG-CG1 4.34Å; I663-I665 HydrophobicContact CG2-CG1 4.17Å; I663-Q804 HydrophobicContact CG1-CB 4.29Å; I663-Q804 HydrophobicContact CG2-CB 4.25Å; I663-L827 HydrophobicContact CG2-CD1 4.3Å; I663-L827 HydrophobicContact CG2-CD2 4.2Å; I663-N831 HydrophobicContact CD1-CB 4.45Å; I663-N831 WeakPolarHBondContact CD1-ND2 3.18Å; I663-T888 HydrophobicContact CD1-CG2 3.5Å; I663-T888 VanDerWaalsContact CD1-CG2 3.5Å; I663-T888 HydrophobicContact CG1-CG2 3.93Å; I663-N889 PolarHBondContact N-O 2.96Å; I663-L890 HydrophobicContact CB-CD2 3.83Å; I663-L890 HydrophobicContact CD1-CD2 3.99Å; I663-L890 HydrophobicContact CG1-CD2 4.3Å; I663-L890 HydrophobicContact CG2-CD2 4.22Å; I663-I891 PolarHBondContact O-N 2.71Å
664	W	95.2	Very high	82.4	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.5	177.9	-72.5	83.6	0	0	0	109.9	L588 P605 I610 I613 H614 F752 Q804 Y805 H806 I891 F893	L588-W664 HydrophobicContact CD1-CH2 4.07Å; L588-W664 HydrophobicContact CD1-CZ3 4.48Å; P605-W664 HydrophobicContact CB-CH2 4.42Å; P605-W664 HydrophobicContact CB-CZ3 4.09Å; P605-W664 HydrophobicContact CG-CE3 4.22Å; P605-W664 HydrophobicContact CG-CZ3 3.76Å; I610-W664 HydrophobicContact CG2-CZ2 4.37Å; I613-W664 HydrophobicContact CB-CH2 4.32Å; I613-W664 HydrophobicContact CB-CZ2 4.15Å; I613-W664 HydrophobicContact CG1-CH2 4.37Å; I613-W664 HydrophobicContact CG2-CH2 4.26Å; I613-W664 HydrophobicContact CG2-CZ2 3.93Å; H614-W664 AromaticContact CD2-NE1 3.78Å; H614-W664 AromaticContact NE2-NE1 3.15Å; H614-W664 PolarHBondContact NE2-NE1 3.36Å; H614-W664 VanDerWaalsContact NE2-NE1 3.15Å; W664-F752 HydrophobicContact CB-CD1 4.24Å; W664-F752 HydrophobicContact CB-CE1 3.7Å; W664-F752 HydrophobicContact CB-CZ 4.34Å; W664-F752 AromaticContact CD2-CE1 3.62Å; W664-F752 HydrophobicContact CD2-CE1 3.62Å; W664-F752 HydrophobicContact CD2-CZ 4.33Å; W664-F752 AromaticContact CE3-CE1 3.82Å; W664-F752 HydrophobicContact CE3-CE1 3.82Å; W664-F752 HydrophobicContact CE3-CZ 4.08Å; W664-F752 HydrophobicContact CG-CD1 4.2Å; W664-F752 AromaticContact CG-CE1 3.57Å; W664-F752 HydrophobicContact CG-CE1 3.57Å; W664-F752 HydrophobicContact CG-CZ 4.47Å; W664-Q804 PolarHBondContact N-O 2.88Å; W664-Y805 HydrophobicContact CB-CD2 4.47Å; W664-Y805 CarbonylContact O-C 3.6Å; W664-Y805 WeakPolarHBondContact O-CA 3.39Å; W664-H806 PolarHBondContact O-N 3.41Å; W664-I891 HydrophobicContact CD2-CB 4.14Å; W664-I891 HydrophobicContact CD2-CD1 4.11Å; W664-I891 HydrophobicContact CD2-CG2 4.22Å; W664-I891 HydrophobicContact CE3-CB 4.07Å; W664-I891 HydrophobicContact CE3-CG2 3.68Å; W664-I891 HydrophobicContact CH2-CD1 4.16Å; W664-I891 HydrophobicContact CH2-CG2 3.96Å; W664-I891 HydrophobicContact CZ2-CD1 3.61Å; W664-I891 HydrophobicContact CZ2-CG2 4.44Å; W664-I891 HydrophobicContact CZ3-CB 4.36Å; W664-I891 HydrophobicContact CZ3-CG2 3.53Å; W664-F893 HydrophobicContact CB-CE1 4.15Å; W664-F893 AromaticContact CE3-CD1 3.77Å; W664-F893 HydrophobicContact CE3-CD1 3.77Å; W664-F893 AromaticContact CE3-CE1 3.91Å; W664-F893 HydrophobicContact CE3-CE1 3.91Å; W664-F893 HydrophobicContact CZ3-CD1 4.39Å
665	I	96.1	Very high	84.3	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.2	-175.4	-53.6	158.4	0	0	0	108.4	I663 L667 H806 V808 L827 L890 I891 F892 F893	I663-I665 HydrophobicContact CG2-CG1 4.17Å; I665-L667 HydrophobicContact CG2-CD2 4.25Å; I665-H806 CarbonylContact C-O 3.6Å; I665-H806 WeakPolarHBondContact CA-O 3.41Å; I665-V808 HydrophobicContact CG2-CB 4.18Å; I665-V808 HydrophobicContact CG2-CG2 3.93Å; I665-L827 HydrophobicContact CD1-CD2 3.23Å; I665-L827 HydrophobicContact CG1-CD2 3.81Å; I665-L890 HydrophobicContact CD1-CB 4.33Å; I665-L890 HydrophobicContact CD1-CD2 4.42Å; I665-I891 PolarHBondContact N-O 2.99Å; I665-F892 HydrophobicContact CB-CD1 3.84Å; I665-F892 HydrophobicContact CB-CE1 4.1Å; I665-F892 HydrophobicContact CD1-CD1 3.74Å; I665-F892 HydrophobicContact CD1-CE1 3.28Å; I665-F892 HydrophobicContact CD1-CE2 4.1Å; I665-F892 HydrophobicContact CD1-CG 4.35Å; I665-F892 HydrophobicContact CD1-CZ 3.48Å; I665-F892 VanDerWaalsContact CD1-CZ 3.48Å; I665-F892 HydrophobicContact CG1-CD1 4.44Å; I665-F892 HydrophobicContact CG1-CE1 4.3Å; I665-F892 HydrophobicContact CG2-CD1 3.88Å; I665-F892 HydrophobicContact CG2-CE1 3.95Å; I665-F893 VanDerWaalsContact O-CD1 3.26Å; I665-F893 WeakPolarHBondContact O-CD1 3.47Å; I665-F893 PolarHBondContact O-N 2.63Å
666	C	95.1	Very high	85.4	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.6	179.1	-175.1	0	0	0	0	110.4	L748 Y805 H806 V808 F893	C666-L748 HydrophobicContact CB-CD2 4.47Å; C666-Y805 HydrophobicContact CB-CE2 3.87Å; C666-H806 PolarHBondContact N-O 3.48Å; C666-V808 PolarHBondContact O-N 3.06Å; C666-F893 HydrophobicContact CB-CE1 3.85Å; C666-F893 HydrophobicContact CB-CE2 3.77Å; C666-F893 HydrophobicContact CB-CZ 3.35Å; C666-F893 VanDerWaalsContact SG-CE2 3.59Å
667	L	93.5	Very high	86.4	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.			trans	-93.9	4.7	-178.1	-59.2	172.3	0	0	0	113.9	I665 V808 L810 F892 F893 C894 R900 A904	I665-L667 HydrophobicContact CG2-CD2 4.25Å; L667-V808 VanDerWaalsContact CA-O 3.31Å; L667-V808 WeakPolarHBondContact CA-O 3.29Å; L667-V808 HydrophobicContact CD2-CB 4.49Å; L667-L810 HydrophobicContact CB-CB 4.33Å; L667-L810 PolarHBondContact O-N 3.42Å; L667-F892 HydrophobicContact CD1-CB 4.14Å; L667-F892 HydrophobicContact CD1-CD1 4.35Å; L667-F892 HydrophobicContact CD2-CD1 4.17Å; L667-F892 HydrophobicContact CG-CD1 4.48Å; L667-F893 WeakPolarHBondContact CB-O 3.49Å; L667-F893 PolarHBondContact N-O 2.6Å; L667-C894 HydrophobicContact CB-CB 4.19Å; L667-R900 HydrophobicContact CB-CB 4.26Å; L667-R900 HydrophobicContact CD1-CB 4.26Å; L667-R900 WeakPolarHBondContact CD1-O 3.4Å; L667-R900 PolarHBondContact O-NH1 3.28Å; L667-A904 HydrophobicContact CD1-CB 3.43Å; L667-A904 VanDerWaalsContact CD1-CB 3.43Å; L667-A904 HydrophobicContact CD2-CB 3.83Å; L667-A904 HydrophobicContact CG-CB 4.27Å
668	R	90.7	Very high	87.1	Confident	2 Å²	2	14 Å²	14	1%	0.008	8%	0.08	C	C	.	.			trans	-79	135.9	-174.2	-73.4	-174.9	78.4	164.4	4.7	111.9	D572 Q604 D670 V672 L702 R807 C894	D572-R668 IonicContact OD1-CZ 3.03Å; D572-R668 IonicContact OD1-NH1 3.77Å; D572-R668 PolarHBondContact OD1-NH1 3.4Å; D572-R668 IonicContact OD1-NH2 3.56Å; D572-R668 PolarHBondContact OD1-NH2 2.95Å; D572-R668 IonicContact OD2-CZ 2.86Å; D572-R668 IonicContact OD2-NH1 3.54Å; D572-R668 PolarHBondContact OD2-NH1 3.09Å; D572-R668 IonicContact OD2-NH2 3.26Å; Q604-R668 VanDerWaalsContact OE1-CD 3.22Å; R668-D670 VanDerWaalsContact CB-OD1 3.26Å; R668-D670 WeakPolarHBondContact CB-OD1 3.48Å; R668-D670 IonicContact CZ-OD1 3.65Å; R668-D670 IonicContact CZ-OD2 4Å; R668-D670 IonicContact NE-OD1 3.62Å; R668-D670 PolarHBondContact NE-OD1 3.08Å; R668-D670 IonicContact NE-OD2 2.7Å; R668-D670 PolarHBondContact NE-OD2 3.45Å; R668-D670 IonicContact NH2-OD1 2.72Å; R668-D670 IonicContact NH2-OD2 3.09Å; R668-D670 PolarHBondContact NH2-OD2 3.44Å; R668-V672 VanDerWaalsContact NE-CG2 3.29Å; R668-L702 WeakPolarHBondContact O-CD2 3.46Å; R668-R807 PolarHBondContact O-NE 2.98Å; R668-R807 PolarHBondContact O-NH2 3.35Å; R668-C894 HydrophobicContact CG-CB 4.43Å
669	D	86	Confident	87.8	Confident	7 Å²	7	14 Å²	14	4%	0.037	8%	0.081	C	C	.	.			trans	-105.8	7.8	176.9	58.7	-3.7	0	0	0	112.5	I693 L694 P809 P811 R900	D669-I693 HydrophobicContact CB-CG2 4.15Å; D669-I693 WeakPolarHBondContact OD2-CG2 3.21Å; D669-L694 PolarHBondContact O-N 3.28Å; D669-P809 HydrophobicContact CB-CB 4.06Å; D669-P811 WeakPolarHBondContact OD2-CA 3.45Å; D669-R900 VanDerWaalsContact N-NH1 3.19Å; D669-R900 IonicContact OD1-CZ 2.96Å; D669-R900 VanDerWaalsContact OD1-CZ 3.29Å; D669-R900 IonicContact OD1-NH1 3.61Å; D669-R900 PolarHBondContact OD1-NH1 3.45Å; D669-R900 IonicContact OD1-NH2 2.64Å; D669-R900 PolarHBondContact OD1-NH2 2.97Å; D669-R900 IonicContact OD2-NH1 3.33Å
670	D	87	Confident	88.4	Confident	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.077	C	C	.	.	S	Bend	trans	-112.4	162	177.7	62.3	-34.7	0	0	0	112.1	R668 I692 R807	R668-D670 VanDerWaalsContact CB-OD1 3.26Å; R668-D670 WeakPolarHBondContact CB-OD1 3.48Å; R668-D670 IonicContact CZ-OD1 3.65Å; R668-D670 IonicContact CZ-OD2 4Å; R668-D670 IonicContact NE-OD1 3.62Å; R668-D670 PolarHBondContact NE-OD1 3.08Å; R668-D670 IonicContact NE-OD2 2.7Å; R668-D670 PolarHBondContact NE-OD2 3.45Å; R668-D670 IonicContact NH2-OD1 2.72Å; R668-D670 IonicContact NH2-OD2 3.09Å; R668-D670 PolarHBondContact NH2-OD2 3.44Å; D670-I692 WeakPolarHBondContact CA-O 3.47Å; D670-I692 WeakPolarHBondContact CB-O 3.24Å; D670-R807 PolarHBondContact O-NH2 2.77Å
671	Y	86.9	Confident	88.8	Confident	41 Å²	41	13.2 Å²	13.2	16%	0.161	8%	0.077	C	C	.	.			trans	-72.6	129.6	174.8	-66.9	-36.7	0	0	0	111.5	S681 W682 L694 L702 M705 E706 F709	Y671-S681 WeakPolarHBondContact O-CA 3.44Å; Y671-W682 AromaticContact CD2-CE3 3.78Å; Y671-W682 HydrophobicContact CD2-CE3 3.78Å; Y671-W682 HydrophobicContact CD2-CZ3 4.33Å; Y671-W682 HydrophobicContact CE2-CE3 4.21Å; Y671-W682 HydrophobicContact CE2-CZ3 4.32Å; Y671-L694 HydrophobicContact CD1-CD1 4.04Å; Y671-L694 HydrophobicContact CE1-CD1 3.32Å; Y671-L694 HydrophobicContact CE2-CD1 3.99Å; Y671-L694 WeakPolarHBondContact OH-CD1 3.45Å; Y671-L702 HydrophobicContact CD1-CD1 4.12Å; Y671-L702 HydrophobicContact CE1-CD1 4.02Å; Y671-M705 HydrophobicContact CE1-CB 3.73Å; Y671-E706 HydrophobicContact CD1-CB 4.03Å; Y671-E706 HydrophobicContact CD1-CG 4.43Å; Y671-E706 HydrophobicContact CE1-CB 4.49Å; Y671-F709 HydrophobicContact CD2-CB 4.45Å; Y671-F709 HydrophobicContact CD2-CD1 4.18Å; Y671-F709 HydrophobicContact CD2-CD2 4.48Å; Y671-F709 HydrophobicContact CD2-CG 4.1Å; Y671-F709 HydrophobicContact CE2-CB 4.39Å; Y671-F709 HydrophobicContact CE2-CG 4.38Å; Y671-F709 HydrophobicContact CG-CD1 4.23Å; Y671-F709 HydrophobicContact CG-CG 4.48Å
672	V	89.4	Confident	88.8	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123	174.9	-171.1	0	0	0	0	109.2	R668 C680 E706 L748	R668-V672 VanDerWaalsContact NE-CG2 3.29Å; V672-C680 WeakPolarHBondContact CA-O 3.07Å; V672-E706 PolarHBondContact N-OE2 3.45Å; V672-E706 WeakPolarHBondContact O-CG 3.48Å; V672-L748 HydrophobicContact CB-CD2 4.19Å; V672-L748 HydrophobicContact CG1-CD1 4.16Å; V672-L748 HydrophobicContact CG1-CD2 4.47Å
673	V	90.8	Very high	88.7	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.6	178.3	-61.6	0	0	0	0	109.8	Y675 C680 E706 F709 A710 L745 L746	V673-Y675 PolarHBondContact O-N 2.77Å; V673-C680 VanDerWaalsContact CG2-SG 3.52Å; V673-C680 PolarHBondContact N-O 3.25Å; V673-C680 PolarHBondContact O-N 2.94Å; V673-C680 PolarHBondContact O-SG 3.28Å; V673-E706 HydrophobicContact CG1-CG 4.17Å; V673-F709 HydrophobicContact CG1-CD1 3.69Å; V673-F709 HydrophobicContact CG1-CE1 3.86Å; V673-F709 HydrophobicContact CG2-CE1 4.14Å; V673-A710 HydrophobicContact CG1-CB 4.09Å; V673-L745 HydrophobicContact CB-CD1 3.78Å; V673-L745 HydrophobicContact CG2-CD1 3.77Å; V673-L746 WeakPolarHBondContact CA-O 3.37Å
674	K	89.6	Confident	88	Confident	11 Å²	11	12.9 Å²	12.9	5%	0.048	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.5	168.7	176.4	179.3	163.6	-164.6	0	107.3	E678 E744 L745 L746 M751	K674-E678 CarbonylContact C-O 3.46Å; K674-E678 VanDerWaalsContact CA-O 3.32Å; K674-E678 WeakPolarHBondContact CA-O 3Å; K674-E744 VanDerWaalsContact CE-OE2 3.29Å; K674-E744 WeakPolarHBondContact CE-OE2 3.39Å; K674-E744 IonicContact NZ-OE2 2.71Å; K674-E744 PolarHBondContact NZ-OE2 3.25Å; K674-L745 WeakPolarHBondContact O-CA 3.47Å; K674-L745 WeakPolarHBondContact O-CD1 3.44Å; K674-L746 HydrophobicContact CB-CB 4.33Å; K674-L746 HydrophobicContact CD-CD1 4.42Å; K674-L746 PolarHBondContact N-O 3.32Å; K674-L746 PolarHBondContact O-N 3.45Å; K674-L746 VanDerWaalsContact O-N 3.09Å; K674-M751 HydrophobicContact CB-CB 4.35Å; K674-M751 HydrophobicContact CB-CG 4.4Å; K674-M751 HydrophobicContact CB-SD 4.04Å; K674-M751 HydrophobicContact CD-CB 4.29Å; K674-M751 HydrophobicContact CD-CG 3.82Å; K674-M751 HydrophobicContact CD-SD 4.1Å; K674-M751 HydrophobicContact CG-SD 4.4Å
675	Y	86.1	Confident	87.1	Confident	8 Å²	8	17 Å²	17	3%	0.031	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116	178.8	-171.4	-100.7	0	0	0	108.8	L569 V673 G677 E678 C680 P719 C720 L722 I736 I743 L745	L569-Y675 HydrophobicContact CD1-CD2 4.28Å; L569-Y675 HydrophobicContact CD1-CG 4.35Å; V673-Y675 PolarHBondContact O-N 2.77Å; Y675-G677 VanDerWaalsContact C-N 3.26Å; Y675-G677 PolarHBondContact O-N 2.93Å; Y675-E678 PolarHBondContact N-O 2.97Å; Y675-E678 PolarHBondContact O-N 2.83Å; Y675-C680 WeakPolarHBondContact CB-SG 3.45Å; Y675-P719 WeakPolarHBondContact OH-CB 3.42Å; Y675-C720 PolarHBondContact OH-N 2.93Å; Y675-C720 PolarHBondContact OH-O 3.44Å; Y675-L722 HydrophobicContact CD1-CB 4.2Å; Y675-L722 HydrophobicContact CD1-CD1 4.29Å; Y675-L722 HydrophobicContact CD1-CD2 4.27Å; Y675-L722 HydrophobicContact CD1-CG 4.49Å; Y675-L722 HydrophobicContact CE1-CB 4.26Å; Y675-I736 HydrophobicContact CD1-CD1 3.83Å; Y675-I736 HydrophobicContact CE1-CD1 3.24Å; Y675-I743 HydrophobicContact CD2-CG2 4.05Å; Y675-I743 HydrophobicContact CE2-CG2 3.61Å; Y675-L745 HydrophobicContact CD2-CD1 3.88Å
676	S	81	Confident	85.9	Confident	53 Å²	53	20.9 Å²	20.9	37%	0.371	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	37.1	178.8	-166.7	0	0	0	0	114.2	I736 E744	S676-I736 WeakPolarHBondContact OG-CG2 3.31Å; S676-E744 PolarHBondContact N-O 3.44Å
677	G	80.3	Confident	84.9	Confident	39 Å²	39	24 Å²	24	40%	0.402	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-19.9	178.6	0	0	0	0	0	115.2	Y675	Y675-G677 VanDerWaalsContact C-N 3.26Å; Y675-G677 PolarHBondContact O-N 2.93Å
678	E	83.7	Confident	84.1	Confident	75 Å²	75	24.3 Å²	24.3	35%	0.35	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	147.8	-179.9	-64.3	-169.6	146.1	0	0	112.2	T571 K674 Y675 I734	T571-E678 HydrophobicContact CG2-CB 4.44Å; T571-E678 WeakPolarHBondContact CG2-OE2 3.39Å; K674-E678 CarbonylContact C-O 3.46Å; K674-E678 VanDerWaalsContact CA-O 3.32Å; K674-E678 WeakPolarHBondContact CA-O 3Å; Y675-E678 PolarHBondContact N-O 2.97Å; Y675-E678 PolarHBondContact O-N 2.83Å; E678-I734 VanDerWaalsContact OE2-CD1 3.29Å; E678-I734 WeakPolarHBondContact OE2-CD1 3.21Å
679	T	88.9	Confident	83.4	Confident	9 Å²	9	29.1 Å²	29.1	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.4	170.3	51.5	0	0	0	0	109.8	D572 Q604 M751	D572-T679 PolarHBondContact N-O 3.13Å; Q604-T679 HydrophobicContact CG-CG2 4.46Å; T679-M751 HydrophobicContact CG2-CE 3.86Å; T679-M751 HydrophobicContact CG2-SD 3.52Å; T679-M751 VanDerWaalsContact CG2-SD 3.52Å
680	C	89.3	Confident	83	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.9	-180	67.6	0	0	0	0	111.6	L569 V570 V672 V673 Y675 L722	L569-C680 HydrophobicContact CB-CB 4.4Å; V570-C680 CarbonylContact O-C 3.5Å; V570-C680 WeakPolarHBondContact O-CA 3.5Å; V570-C680 WeakPolarHBondContact O-CB 3.39Å; V672-C680 WeakPolarHBondContact CA-O 3.07Å; V673-C680 VanDerWaalsContact CG2-SG 3.52Å; V673-C680 PolarHBondContact N-O 3.25Å; V673-C680 PolarHBondContact O-N 2.94Å; V673-C680 PolarHBondContact O-SG 3.28Å; Y675-C680 WeakPolarHBondContact CB-SG 3.45Å; C680-L722 HydrophobicContact CB-CD1 3.75Å
681	S	88	Confident	82.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.9	175	45.5	0	0	0	0	111.2	V570 D572 Y671 R683	V570-S681 PolarHBondContact N-O 3.3Å; V570-S681 PolarHBondContact O-N 3.17Å; D572-S681 WeakPolarHBondContact OD1-CB 3.21Å; D572-S681 PolarHBondContact OD1-OG 3.37Å; Y671-S681 WeakPolarHBondContact O-CA 3.44Å; S681-R683 PolarHBondContact O-N 3.16Å; S681-R683 PolarHBondContact OG-NE 3.05Å
682	W	85.7	Confident	82.2	Confident	12 Å²	12	31.5 Å²	31.5	5%	0.045	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122	173	-177.8	-20.6	0	0	0	109.1	T557 S558 V559 M561 R567 Y671 I692 F709	T557-W682 HydrophobicContact CG2-CH2 3.87Å; T557-W682 HydrophobicContact CG2-CZ2 3.73Å; S558-W682 WeakPolarHBondContact O-CH2 3.37Å; V559-W682 HydrophobicContact CG2-CH2 4.38Å; V559-W682 HydrophobicContact CG2-CZ3 4.35Å; M561-W682 HydrophobicContact CB-CZ2 4.33Å; R567-W682 HydrophobicContact CB-CZ2 4.29Å; R567-W682 HydrophobicContact CG-CZ2 4Å; Y671-W682 AromaticContact CD2-CE3 3.78Å; Y671-W682 HydrophobicContact CD2-CE3 3.78Å; Y671-W682 HydrophobicContact CD2-CZ3 4.33Å; Y671-W682 HydrophobicContact CE2-CE3 4.21Å; Y671-W682 HydrophobicContact CE2-CZ3 4.32Å; W682-I692 VanDerWaalsContact CD1-CD1 3.43Å; W682-I692 HydrophobicContact CG-CD1 4.16Å; W682-F709 HydrophobicContact CB-CZ 4.29Å; W682-F709 AromaticContact CD2-CE2 3.9Å; W682-F709 HydrophobicContact CD2-CE2 3.9Å; W682-F709 AromaticContact CD2-CZ 3.92Å; W682-F709 HydrophobicContact CD2-CZ 3.92Å; W682-F709 AromaticContact CE3-CD2 3.5Å; W682-F709 HydrophobicContact CE3-CD2 3.5Å; W682-F709 VanDerWaalsContact CE3-CD2 3.5Å; W682-F709 HydrophobicContact CE3-CE1 4.06Å; W682-F709 AromaticContact CE3-CE2 2.91Å; W682-F709 HydrophobicContact CE3-CE2 2.91Å; W682-F709 HydrophobicContact CE3-CG 4.28Å; W682-F709 AromaticContact CE3-CZ 3.22Å; W682-F709 HydrophobicContact CE3-CZ 3.22Å; W682-F709 HydrophobicContact CG-CZ 4.4Å; W682-F709 HydrophobicContact CH2-CD2 4.4Å; W682-F709 AromaticContact CH2-CE2 3.97Å; W682-F709 HydrophobicContact CH2-CE2 3.97Å; W682-F709 AromaticContact CZ3-CD2 3.28Å; W682-F709 HydrophobicContact CZ3-CD2 3.28Å; W682-F709 AromaticContact CZ3-CE2 2.97Å; W682-F709 HydrophobicContact CZ3-CE2 2.97Å; W682-F709 HydrophobicContact CZ3-CG 4.33Å; W682-F709 AromaticContact CZ3-CZ 3.83Å; W682-F709 HydrophobicContact CZ3-CZ 3.83Å
683	R	85.7	Confident	81.5	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	169.3	177.5	-53.5	-162.1	172.7	-124.7	-11.2	114.7	R567 I568 V570 L575 S681 P688 E689 D690 S691	R567-R683 WeakPolarHBondContact CA-O 3.36Å; I568-R683 PolarHBondContact N-O 2.95Å; I568-R683 PolarHBondContact O-N 3.07Å; V570-R683 HydrophobicContact CB-CG 4.29Å; V570-R683 HydrophobicContact CG2-CB 4.04Å; V570-R683 HydrophobicContact CG2-CG 4.16Å; L575-R683 VanDerWaalsContact CD1-CZ 3.41Å; S681-R683 PolarHBondContact O-N 3.16Å; S681-R683 PolarHBondContact OG-NE 3.05Å; R683-P688 WeakPolarHBondContact CD-O 3.45Å; R683-P688 PolarHBondContact NH1-O 3.48Å; R683-E689 PolarHBondContact NH1-O 2.84Å; R683-D690 PolarHBondContact NH1-O 3.23Å; R683-S691 PolarHBondContact NH1-OG 2.85Å; R683-S691 PolarHBondContact NH2-OG 3.08Å
684	V	79	Confident	80.9	Confident	3 Å²	3	33 Å²	33	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.5	175.1	-153.7	0	0	0	0	110.1	H686 K687 P688 I692 P1082	V684-H686 WeakPolarHBondContact CG1-CE1 3.28Å; V684-H686 VanDerWaalsContact CG1-ND1 3.32Å; V684-H686 WeakPolarHBondContact CG1-ND1 3.35Å; V684-H686 PolarHBondContact O-N 3.41Å; V684-K687 CarbonylContact O-C 3.53Å; V684-K687 VanDerWaalsContact O-C 3.3Å; V684-K687 PolarHBondContact O-N 3.01Å; V684-P688 WeakPolarHBondContact O-CA 3.38Å; V684-I692 HydrophobicContact CG2-CD1 4.09Å; V684-I692 HydrophobicContact CG2-CG1 4.07Å; V684-P1082 HydrophobicContact CG1-CG 3.97Å
685	K	75.4	Confident	80.3	Confident	87 Å²	87	34.4 Å²	34.4	38%	0.378	18%	0.179	S	C	.	.	S	Bend	trans	-64.7	-36.4	-174.9	-175.7	168.8	172.9	-179.6	0	114.2	E565 H566 I568	E565-K685 HydrophobicContact CB-CD 4.24Å; E565-K685 WeakPolarHBondContact O-CB 3.49Å; E565-K685 WeakPolarHBondContact O-CD 3.05Å; E565-K685 IonicContact OE2-NZ 3.06Å; E565-K685 PolarHBondContact OE2-NZ 2.67Å; H566-K685 PolarHBondContact O-N 3.39Å; I568-K685 HydrophobicContact CG2-CB 4.17Å; I568-K685 HydrophobicContact CG2-CD 4.28Å; I568-K685 HydrophobicContact CG2-CG 4.24Å
686	H	71.7	Confident	79.8	Confident	82 Å²	82	34.8 Å²	34.8	38%	0.38	18%	0.184	S	C	.	.	S	Bend	trans	-83	-19.9	-176.7	67	-90.1	0	0	0	113.8	V684	V684-H686 WeakPolarHBondContact CG1-CE1 3.28Å; V684-H686 VanDerWaalsContact CG1-ND1 3.32Å; V684-H686 WeakPolarHBondContact CG1-ND1 3.35Å; V684-H686 PolarHBondContact O-N 3.41Å
687	K	74.9	Confident	79.9	Confident	65 Å²	65	32.6 Å²	32.6	28%	0.283	17%	0.169	S	C	.	.			trans	-137.8	71.9	175.5	-79.5	175.8	-178.6	174.2	0	110.1	V684 E689	V684-K687 CarbonylContact O-C 3.53Å; V684-K687 VanDerWaalsContact O-C 3.3Å; V684-K687 PolarHBondContact O-N 3.01Å; K687-E689 PolarHBondContact O-N 3.27Å
688	P	76.2	Confident	80.1	Confident	7 Å²	7	33.5 Å²	33.5	5%	0.045	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.8	-180	30.8	-37.6	0	0	0	113.6	I568 V570 R683 V684 D690 L725 L731	I568-P688 HydrophobicContact CD1-CB 4.36Å; V570-P688 HydrophobicContact CG2-CB 4.26Å; R683-P688 WeakPolarHBondContact CD-O 3.45Å; R683-P688 PolarHBondContact NH1-O 3.48Å; V684-P688 WeakPolarHBondContact O-CA 3.38Å; P688-D690 VanDerWaalsContact C-N 3.32Å; P688-L725 HydrophobicContact CB-CD1 4.18Å; P688-L725 HydrophobicContact CG-CD1 3.62Å; P688-L731 HydrophobicContact CB-CD2 3.87Å; P688-L731 HydrophobicContact CG-CD1 4.22Å; P688-L731 HydrophobicContact CG-CD2 3.94Å; P688-L731 HydrophobicContact CG-CG 4.1Å
689	E	76.6	Confident	80.3	Confident	104 Å²	104	30.4 Å²	30.4	49%	0.486	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.2	176.2	60.3	-84.3	-164.4	0	0	112.8	R683 K687	R683-E689 PolarHBondContact NH1-O 2.84Å; K687-E689 PolarHBondContact O-N 3.27Å
690	D	77.8	Confident	80.3	Confident	68 Å²	68	36.3 Å²	36.3	36%	0.364	18%	0.182	S	C	.	.	S	Bend	trans	-88.5	137.1	-178.2	-69.3	-28.4	0	0	0	111	R683 P688	R683-D690 PolarHBondContact NH1-O 3.23Å; P688-D690 VanDerWaalsContact C-N 3.32Å
691	S	78.2	Confident	80.2	Confident	18 Å²	18	38.7 Å²	38.7	13%	0.126	19%	0.193	C	C	.	.			trans	-87.1	142.1	178.8	-45.4	0	0	0	0	109.2	R683 I693	R683-S691 PolarHBondContact NH1-OG 2.85Å; R683-S691 PolarHBondContact NH2-OG 3.08Å; S691-I693 PolarHBondContact O-N 3.14Å
692	I	77.1	Confident	80.2	Confident	12 Å²	12	38.7 Å²	38.7	6%	0.062	19%	0.194	C	C	.	.			trans	-81.7	113.8	174.9	-62.4	174.5	0	0	0	108.7	E554 D670 W682 V684	E554-I692 HydrophobicContact CB-CG2 4.29Å; E554-I692 HydrophobicContact CG-CG2 3.52Å; E554-I692 WeakPolarHBondContact OE2-CG2 3.06Å; D670-I692 WeakPolarHBondContact CA-O 3.47Å; D670-I692 WeakPolarHBondContact CB-O 3.24Å; W682-I692 VanDerWaalsContact CD1-CD1 3.43Å; W682-I692 HydrophobicContact CG-CD1 4.16Å; V684-I692 HydrophobicContact CG2-CD1 4.09Å; V684-I692 HydrophobicContact CG2-CG1 4.07Å
693	I	76.3	Confident	80.5	Confident	26 Å²	26	38.9 Å²	38.9	13%	0.133	20%	0.195	C	C	.	.			trans	-99.2	131.2	-172	-62.3	167.5	0	0	0	110.6	D669 S691 R695	D669-I693 HydrophobicContact CB-CG2 4.15Å; D669-I693 WeakPolarHBondContact OD2-CG2 3.21Å; S691-I693 PolarHBondContact O-N 3.14Å; I693-R695 HydrophobicContact CG2-CG 3.67Å; I693-R695 PolarHBondContact O-N 3.37Å
694	L	77.7	Confident	80.7	Confident	8 Å²	8	42 Å²	42	4%	0.042	21%	0.21	C	C	.	.			trans	-95.6	83.9	168.6	-72	167.5	0	0	0	110.6	E554 D669 Y671 G696 A697 L702 M705	E554-L694 HydrophobicContact CB-CD2 3.72Å; D669-L694 PolarHBondContact O-N 3.28Å; Y671-L694 HydrophobicContact CD1-CD1 4.04Å; Y671-L694 HydrophobicContact CE1-CD1 3.32Å; Y671-L694 HydrophobicContact CE2-CD1 3.99Å; Y671-L694 WeakPolarHBondContact OH-CD1 3.45Å; L694-G696 PolarHBondContact O-N 3.36Å; L694-A697 HydrophobicContact CB-CB 4.41Å; L694-L702 HydrophobicContact CB-CD1 4.38Å; L694-L702 HydrophobicContact CD1-CD1 3.73Å; L694-M705 HydrophobicContact CD1-CE 4.11Å
695	R	76.9	Confident	81.1	Confident	40 Å²	40	43.5 Å²	43.5	15%	0.151	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.8	-179.8	-59.9	-169.7	-174.1	-114.1	4.9	110.7	D548 F549 W555 I693 A697 D1077	D548-R695 VanDerWaalsContact CG-NH1 3.31Å; D548-R695 WeakPolarHBondContact O-CD 3.45Å; D548-R695 WeakPolarHBondContact OD1-CD 3.43Å; D548-R695 IonicContact OD1-CZ 3.29Å; D548-R695 IonicContact OD1-NE 3.03Å; D548-R695 IonicContact OD1-NH1 2.67Å; D548-R695 PolarHBondContact OD1-NH1 3.49Å; D548-R695 IonicContact OD2-NH1 3.59Å; D548-R695 PolarHBondContact OD2-NH1 3.17Å; D548-R695 VanDerWaalsContact OD2-NH1 3.16Å; F549-R695 HydrophobicContact CD1-CB 4Å; W555-R695 PolarHBondContact NE1-O 3.35Å; I693-R695 HydrophobicContact CG2-CG 3.67Å; I693-R695 PolarHBondContact O-N 3.37Å; R695-A697 PolarHBondContact O-N 2.91Å; R695-D1077 IonicContact NH2-OD2 3.23Å
696	G	76.3	Confident	81.8	Confident	15 Å²	15	39.3 Å²	39.3	16%	0.155	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-9.1	175.2	0	0	0	0	0	116.7	H439 Q443 F549 L694	H439-G696 PolarHBondContact NE2-O 3.37Å; Q443-G696 PolarHBondContact NE2-O 3.13Å; F549-G696 VanDerWaalsContact CD1-N 3.28Å; L694-G696 PolarHBondContact O-N 3.36Å
697	A	81.8	Confident	82.7	Confident	7 Å²	7	39.7 Å²	39.7	6%	0.058	20%	0.197	C	C	.	.			trans	-70	131.5	175.5	0	0	0	0	0	110.8	W555 L694 R695 L702 M705 P809	W555-A697 HydrophobicContact CH2-CB 3.79Å; W555-A697 HydrophobicContact CZ2-CB 3.9Å; L694-A697 HydrophobicContact CB-CB 4.41Å; R695-A697 PolarHBondContact O-N 2.91Å; A697-L702 HydrophobicContact CB-CB 4.42Å; A697-M705 HydrophobicContact CB-CE 3.78Å; A697-P809 VanDerWaalsContact O-CG 3.26Å; A697-P809 WeakPolarHBondContact O-CG 3.47Å
698	N	85	Confident	83.3	Confident	58 Å²	58	41.9 Å²	41.9	31%	0.31	21%	0.206	S	C	.	.			trans	-76.8	165.8	168.7	67.4	38.3	0	0	0	110.9	M700 E701 L702	N698-M700 VanDerWaalsContact C-N 3.27Å; N698-M700 PolarHBondContact O-N 3.45Å; N698-M700 PolarHBondContact OD1-N 2.86Å; N698-E701 VanDerWaalsContact CG-CD 3.48Å; N698-E701 PolarHBondContact N-OE2 2.65Å; N698-E701 PolarHBondContact ND2-OE1 3.26Å; N698-E701 PolarHBondContact O-N 3.39Å; N698-E701 VanDerWaalsContact OD1-CB 3.23Å; N698-E701 WeakPolarHBondContact OD1-CB 3.36Å; N698-E701 WeakPolarHBondContact OD1-CG 3.39Å; N698-E701 PolarHBondContact OD1-N 3.24Å; N698-L702 WeakPolarHBondContact O-CB 3.36Å; N698-L702 PolarHBondContact O-N 3.31Å
699	G	86.8	Confident	83.9	Confident	11 Å²	11	41.9 Å²	41.9	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-54.9	-40.4	-177.6	0	0	0	0	0	114.1	L702 E703 R807	G699-L702 PolarHBondContact O-N 3.28Å; G699-E703 VanDerWaalsContact O-CG 3.29Å; G699-E703 WeakPolarHBondContact O-CG 3.46Å; G699-E703 PolarHBondContact O-N 3.47Å; G699-R807 WeakPolarHBondContact CA-O 3.46Å
700	M	89	Confident	84.4	Confident	133 Å²	133	37.1 Å²	37.1	66%	0.655	18%	0.184	S	C	*	.	H	α-helix	trans	-70	-42.1	179.9	-68.5	-64.8	-62.5	0	0	112.9	N698 L702 E703 E704	N698-M700 VanDerWaalsContact C-N 3.27Å; N698-M700 PolarHBondContact O-N 3.45Å; N698-M700 PolarHBondContact OD1-N 2.86Å; M700-L702 VanDerWaalsContact C-N 3.34Å; M700-E703 PolarHBondContact O-N 3.45Å; M700-E704 WeakPolarHBondContact O-CB 3.43Å; M700-E704 PolarHBondContact O-N 2.82Å
701	E	87.8	Confident	84.9	Confident	49 Å²	49	37.8 Å²	37.8	23%	0.229	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-43.2	175.6	-74.8	165.4	-167.9	0	0	109.9	H439 R446 N698 E704 M705	H439-E701 IonicContact CE1-OE2 2.8Å; R446-E701 IonicContact CZ-OE1 2.65Å; R446-E701 IonicContact NH1-OE1 2.86Å; R446-E701 IonicContact NH2-OE1 3.38Å; R446-E701 PolarHBondContact NH2-OE1 3.33Å; N698-E701 VanDerWaalsContact CG-CD 3.48Å; N698-E701 PolarHBondContact N-OE2 2.65Å; N698-E701 PolarHBondContact ND2-OE1 3.26Å; N698-E701 PolarHBondContact O-N 3.39Å; N698-E701 VanDerWaalsContact OD1-CB 3.23Å; N698-E701 WeakPolarHBondContact OD1-CB 3.36Å; N698-E701 WeakPolarHBondContact OD1-CG 3.39Å; N698-E701 PolarHBondContact OD1-N 3.24Å; E701-E704 PolarHBondContact O-N 2.95Å; E701-M705 HydrophobicContact CB-CE 4.41Å; E701-M705 WeakPolarHBondContact O-CB 3.27Å; E701-M705 VanDerWaalsContact O-CG 3.25Å; E701-M705 WeakPolarHBondContact O-CG 3.36Å; E701-M705 PolarHBondContact O-N 3.23Å
702	L	88.7	Confident	85.2	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-43.8	178.1	-169.8	60.6	0	0	0	111.9	R668 Y671 L694 A697 N698 G699 M700 E704 M705 E706 R807 P809	R668-L702 WeakPolarHBondContact O-CD2 3.46Å; Y671-L702 HydrophobicContact CD1-CD1 4.12Å; Y671-L702 HydrophobicContact CE1-CD1 4.02Å; L694-L702 HydrophobicContact CB-CD1 4.38Å; L694-L702 HydrophobicContact CD1-CD1 3.73Å; A697-L702 HydrophobicContact CB-CB 4.42Å; N698-L702 WeakPolarHBondContact O-CB 3.36Å; N698-L702 PolarHBondContact O-N 3.31Å; G699-L702 PolarHBondContact O-N 3.28Å; M700-L702 VanDerWaalsContact C-N 3.34Å; L702-E704 PolarHBondContact O-N 3.11Å; L702-M705 HydrophobicContact CD1-CE 4.36Å; L702-M705 PolarHBondContact O-N 3.39Å; L702-E706 VanDerWaalsContact O-CB 3.26Å; L702-E706 WeakPolarHBondContact O-CB 3.47Å; L702-E706 PolarHBondContact O-N 3.13Å; L702-R807 HydrophobicContact CD2-CG 4.34Å; L702-P809 HydrophobicContact CD2-CB 4.32Å
703	E	91.4	Very high	85.6	Confident	16 Å²	16	38.7 Å²	38.7	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-42.8	174.7	-76.1	177.7	-178.4	0	0	112.6	G699 M700 R707 K749 Y805 R807	G699-E703 VanDerWaalsContact O-CG 3.29Å; G699-E703 WeakPolarHBondContact O-CG 3.46Å; G699-E703 PolarHBondContact O-N 3.47Å; M700-E703 PolarHBondContact O-N 3.45Å; E703-R707 WeakPolarHBondContact O-CB 3.44Å; E703-R707 PolarHBondContact O-N 3.02Å; E703-K749 IonicContact OE1-NZ 3.37Å; E703-K749 WeakPolarHBondContact OE2-CD 3.44Å; E703-K749 WeakPolarHBondContact OE2-CE 3.33Å; E703-K749 IonicContact OE2-NZ 3.77Å; E703-K749 PolarHBondContact OE2-NZ 3.27Å; E703-Y805 WeakPolarHBondContact OE1-CE1 3.12Å; E703-R807 HydrophobicContact CG-CB 4.06Å; E703-R807 HydrophobicContact CG-CG 4.47Å; E703-R807 WeakPolarHBondContact OE1-CB 3.35Å
704	E	89.8	Confident	86	Confident	72 Å²	72	40.8 Å²	40.8	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-69.3	-37.8	179.2	174.8	56.2	-164.8	0	0	111.9	M700 E701 L702 R707 K708	M700-E704 WeakPolarHBondContact O-CB 3.43Å; M700-E704 PolarHBondContact O-N 2.82Å; E701-E704 PolarHBondContact O-N 2.95Å; L702-E704 PolarHBondContact O-N 3.11Å; E704-R707 IonicContact OE1-CZ 3.45Å; E704-R707 IonicContact OE1-NE 2.82Å; E704-R707 IonicContact OE1-NH2 2.77Å; E704-R707 PolarHBondContact OE1-NH2 3.49Å; E704-R707 IonicContact OE2-CZ 3.24Å; E704-R707 IonicContact OE2-NE 3.65Å; E704-R707 PolarHBondContact OE2-NE 2.92Å; E704-R707 IonicContact OE2-NH2 2.71Å; E704-R707 PolarHBondContact OE2-NH2 3.46Å; E704-K708 WeakPolarHBondContact O-CG 3.43Å; E704-K708 PolarHBondContact O-N 2.86Å; E704-K708 VanDerWaalsContact O-N 3.09Å; E704-K708 WeakPolarHBondContact OE1-CE 3.12Å; E704-K708 IonicContact OE1-NZ 2.57Å; E704-K708 PolarHBondContact OE1-NZ 3.09Å
705	M	87.1	Confident	86.3	Confident	34 Å²	34	48.1 Å²	48.1	17%	0.167	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-43.8	174.4	-73.5	-171.5	-66.5	0	0	111.9	W555 Y671 L694 A697 E701 L702 R707 K708 F709	W555-M705 HydrophobicContact CE3-SD 4.16Å; W555-M705 HydrophobicContact CH2-CE 3.83Å; W555-M705 HydrophobicContact CH2-SD 4.28Å; W555-M705 HydrophobicContact CZ3-CE 3.84Å; W555-M705 HydrophobicContact CZ3-SD 3.66Å; Y671-M705 HydrophobicContact CE1-CB 3.73Å; L694-M705 HydrophobicContact CD1-CE 4.11Å; A697-M705 HydrophobicContact CB-CE 3.78Å; E701-M705 HydrophobicContact CB-CE 4.41Å; E701-M705 WeakPolarHBondContact O-CB 3.27Å; E701-M705 VanDerWaalsContact O-CG 3.25Å; E701-M705 WeakPolarHBondContact O-CG 3.36Å; E701-M705 PolarHBondContact O-N 3.23Å; L702-M705 HydrophobicContact CD1-CE 4.36Å; L702-M705 PolarHBondContact O-N 3.39Å; M705-R707 VanDerWaalsContact C-N 3.29Å; M705-R707 PolarHBondContact O-N 2.83Å; M705-K708 WeakPolarHBondContact O-CB 3.3Å; M705-K708 PolarHBondContact O-N 3.44Å; M705-K708 VanDerWaalsContact O-N 3.14Å; M705-F709 WeakPolarHBondContact O-CB 3.03Å; M705-F709 PolarHBondContact O-N 3.16Å
706	E	90.2	Very high	86.4	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-39.1	176.3	-172.4	-179.3	84.6	0	0	111.3	Y671 V672 V673 L702 F709 A710 L748 R807	Y671-E706 HydrophobicContact CD1-CB 4.03Å; Y671-E706 HydrophobicContact CD1-CG 4.43Å; Y671-E706 HydrophobicContact CE1-CB 4.49Å; V672-E706 PolarHBondContact N-OE2 3.45Å; V672-E706 WeakPolarHBondContact O-CG 3.48Å; V673-E706 HydrophobicContact CG1-CG 4.17Å; L702-E706 VanDerWaalsContact O-CB 3.26Å; L702-E706 WeakPolarHBondContact O-CB 3.47Å; L702-E706 PolarHBondContact O-N 3.13Å; E706-F709 WeakPolarHBondContact O-CB 3.44Å; E706-F709 PolarHBondContact O-N 3.47Å; E706-A710 WeakPolarHBondContact O-CB 3.44Å; E706-A710 PolarHBondContact O-N 2.71Å; E706-L748 WeakPolarHBondContact OE1-CB 3.46Å; E706-L748 PolarHBondContact OE1-N 3.43Å; E706-R807 IonicContact OE1-NH1 3.83Å; E706-R807 IonicContact OE2-CZ 3.7Å; E706-R807 IonicContact OE2-NH1 3.87Å; E706-R807 PolarHBondContact OE2-NH1 2.73Å; E706-R807 IonicContact OE2-NH2 2.7Å
707	R	90.3	Very high	86.5	Confident	90 Å²	90	55.1 Å²	55.1	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-45.5	172.4	-171.9	-168.7	69.2	77	-0.1	112	E703 E704 M705 F709 A710 L711	E703-R707 WeakPolarHBondContact O-CB 3.44Å; E703-R707 PolarHBondContact O-N 3.02Å; E704-R707 IonicContact OE1-CZ 3.45Å; E704-R707 IonicContact OE1-NE 2.82Å; E704-R707 IonicContact OE1-NH2 2.77Å; E704-R707 PolarHBondContact OE1-NH2 3.49Å; E704-R707 IonicContact OE2-CZ 3.24Å; E704-R707 IonicContact OE2-NE 3.65Å; E704-R707 PolarHBondContact OE2-NE 2.92Å; E704-R707 IonicContact OE2-NH2 2.71Å; E704-R707 PolarHBondContact OE2-NH2 3.46Å; M705-R707 VanDerWaalsContact C-N 3.29Å; M705-R707 PolarHBondContact O-N 2.83Å; R707-F709 VanDerWaalsContact C-N 3.33Å; R707-A710 PolarHBondContact O-N 3.08Å; R707-L711 VanDerWaalsContact O-CG 3.31Å; R707-L711 WeakPolarHBondContact O-CG 3.38Å; R707-L711 PolarHBondContact O-N 3.34Å; R707-L711 VanDerWaalsContact O-N 3.09Å
708	K	88.4	Confident	86.4	Confident	111 Å²	111	60 Å²	60	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-38.1	175.8	-75.3	174.1	177.8	156.2	0	112	E704 M705 L711 S712	E704-K708 WeakPolarHBondContact O-CG 3.43Å; E704-K708 PolarHBondContact O-N 2.86Å; E704-K708 VanDerWaalsContact O-N 3.09Å; E704-K708 WeakPolarHBondContact OE1-CE 3.12Å; E704-K708 IonicContact OE1-NZ 2.57Å; E704-K708 PolarHBondContact OE1-NZ 3.09Å; M705-K708 WeakPolarHBondContact O-CB 3.3Å; M705-K708 PolarHBondContact O-N 3.44Å; M705-K708 VanDerWaalsContact O-N 3.14Å; K708-L711 PolarHBondContact O-N 3.11Å; K708-S712 WeakPolarHBondContact O-CB 3.18Å; K708-S712 PolarHBondContact O-N 3.34Å; K708-S712 PolarHBondContact O-OG 3.5Å
709	F	88.5	Confident	86	Confident	7 Å²	7	60 Å²	60	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-51.9	175.5	171.6	-114.5	0	0	0	110.5	V559 L562 L569 Y671 V673 W682 M705 E706 R707 L711 S712 V713	V559-F709 HydrophobicContact CG1-CD2 4.16Å; V559-F709 HydrophobicContact CG1-CE2 3.9Å; V559-F709 HydrophobicContact CG2-CD2 3.86Å; V559-F709 HydrophobicContact CG2-CE2 4.28Å; L562-F709 HydrophobicContact CD1-CE2 4.22Å; L562-F709 HydrophobicContact CD1-CZ 4.28Å; L569-F709 HydrophobicContact CD2-CZ 4.24Å; Y671-F709 HydrophobicContact CD2-CB 4.45Å; Y671-F709 HydrophobicContact CD2-CD1 4.18Å; Y671-F709 HydrophobicContact CD2-CD2 4.48Å; Y671-F709 HydrophobicContact CD2-CG 4.1Å; Y671-F709 HydrophobicContact CE2-CB 4.39Å; Y671-F709 HydrophobicContact CE2-CG 4.38Å; Y671-F709 HydrophobicContact CG-CD1 4.23Å; Y671-F709 HydrophobicContact CG-CG 4.48Å; V673-F709 HydrophobicContact CG1-CD1 3.69Å; V673-F709 HydrophobicContact CG1-CE1 3.86Å; V673-F709 HydrophobicContact CG2-CE1 4.14Å; W682-F709 HydrophobicContact CB-CZ 4.29Å; W682-F709 AromaticContact CD2-CE2 3.9Å; W682-F709 HydrophobicContact CD2-CE2 3.9Å; W682-F709 AromaticContact CD2-CZ 3.92Å; W682-F709 HydrophobicContact CD2-CZ 3.92Å; W682-F709 AromaticContact CE3-CD2 3.5Å; W682-F709 HydrophobicContact CE3-CD2 3.5Å; W682-F709 VanDerWaalsContact CE3-CD2 3.5Å; W682-F709 HydrophobicContact CE3-CE1 4.06Å; W682-F709 AromaticContact CE3-CE2 2.91Å; W682-F709 HydrophobicContact CE3-CE2 2.91Å; W682-F709 HydrophobicContact CE3-CG 4.28Å; W682-F709 AromaticContact CE3-CZ 3.22Å; W682-F709 HydrophobicContact CE3-CZ 3.22Å; W682-F709 HydrophobicContact CG-CZ 4.4Å; W682-F709 HydrophobicContact CH2-CD2 4.4Å; W682-F709 AromaticContact CH2-CE2 3.97Å; W682-F709 HydrophobicContact CH2-CE2 3.97Å; W682-F709 AromaticContact CZ3-CD2 3.28Å; W682-F709 HydrophobicContact CZ3-CD2 3.28Å; W682-F709 AromaticContact CZ3-CE2 2.97Å; W682-F709 HydrophobicContact CZ3-CE2 2.97Å; W682-F709 HydrophobicContact CZ3-CG 4.33Å; W682-F709 AromaticContact CZ3-CZ 3.83Å; W682-F709 HydrophobicContact CZ3-CZ 3.83Å; M705-F709 WeakPolarHBondContact O-CB 3.03Å; M705-F709 PolarHBondContact O-N 3.16Å; E706-F709 WeakPolarHBondContact O-CB 3.44Å; E706-F709 PolarHBondContact O-N 3.47Å; R707-F709 VanDerWaalsContact C-N 3.33Å; F709-L711 VanDerWaalsContact C-N 3.31Å; F709-L711 PolarHBondContact O-N 3.31Å; F709-S712 WeakPolarHBondContact O-CA 2.94Å; F709-S712 WeakPolarHBondContact O-CB 3.32Å; F709-S712 PolarHBondContact O-N 2.96Å; F709-V713 HydrophobicContact CD1-CG2 4.49Å; F709-V713 HydrophobicContact CD2-CG2 3.8Å; F709-V713 HydrophobicContact CE1-CG2 4.08Å; F709-V713 HydrophobicContact CE2-CG2 3.26Å; F709-V713 HydrophobicContact CG-CG2 4.38Å; F709-V713 HydrophobicContact CZ-CG2 3.45Å; F709-V713 VanDerWaalsContact CZ-CG2 3.45Å; F709-V713 WeakPolarHBondContact O-CG2 3.27Å; F709-V713 PolarHBondContact O-N 2.88Å
710	A	87.7	Confident	85.5	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-57.4	-43.7	178.1	0	0	0	0	0	111.8	V673 E706 R707 S712 V713 S714 L745	V673-A710 HydrophobicContact CG1-CB 4.09Å; E706-A710 WeakPolarHBondContact O-CB 3.44Å; E706-A710 PolarHBondContact O-N 2.71Å; R707-A710 PolarHBondContact O-N 3.08Å; A710-S712 VanDerWaalsContact C-N 3.25Å; A710-S712 PolarHBondContact O-N 3.32Å; A710-V713 PolarHBondContact O-N 2.57Å; A710-S714 PolarHBondContact O-N 3.3Å; A710-S714 PolarHBondContact O-OG 3.38Å; A710-L745 HydrophobicContact CB-CD2 4.5Å; A710-L745 HydrophobicContact CB-CG 4.18Å; A710-L745 WeakPolarHBondContact O-CD2 3.43Å
711	L	88.1	Confident	85.2	Confident	81 Å²	81	59.2 Å²	59.2	42%	0.424	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-23.3	175.3	-72.2	175.8	0	0	0	114.6	R707 K708 F709 S714 K715	R707-L711 VanDerWaalsContact O-CG 3.31Å; R707-L711 WeakPolarHBondContact O-CG 3.38Å; R707-L711 PolarHBondContact O-N 3.34Å; R707-L711 VanDerWaalsContact O-N 3.09Å; K708-L711 PolarHBondContact O-N 3.11Å; F709-L711 VanDerWaalsContact C-N 3.31Å; F709-L711 PolarHBondContact O-N 3.31Å; L711-S714 PolarHBondContact O-OG 2.78Å; L711-S714 VanDerWaalsContact O-OG 3.11Å; L711-K715 WeakPolarHBondContact O-CD 3.49Å; L711-K715 WeakPolarHBondContact O-CE 3.47Å; L711-K715 WeakPolarHBondContact O-CG 3.47Å
712	S	85.1	Confident	85	Confident	45 Å²	45	57 Å²	57	32%	0.315	29%	0.286	S	S	.	.	H	α-helix	trans	-86.4	-40.8	179	-59.7	0	0	0	0	110.6	K708 F709 A710 S714 K715	K708-S712 WeakPolarHBondContact O-CB 3.18Å; K708-S712 PolarHBondContact O-N 3.34Å; K708-S712 PolarHBondContact O-OG 3.5Å; F709-S712 WeakPolarHBondContact O-CA 2.94Å; F709-S712 WeakPolarHBondContact O-CB 3.32Å; F709-S712 PolarHBondContact O-N 2.96Å; A710-S712 VanDerWaalsContact C-N 3.25Å; A710-S712 PolarHBondContact O-N 3.32Å; S712-S714 VanDerWaalsContact C-N 3.32Å; S712-S714 PolarHBondContact O-N 3.27Å; S712-K715 WeakPolarHBondContact O-CB 3.37Å; S712-K715 PolarHBondContact O-N 2.84Å
713	V	85.4	Confident	84.9	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-38.6	174.6	174.2	0	0	0	0	111	V559 L562 F709 A710 K715 I716 L745	V559-V713 HydrophobicContact CG1-CB 4.38Å; V559-V713 HydrophobicContact CG1-CG2 3.44Å; V559-V713 VanDerWaalsContact CG1-CG2 3.44Å; L562-V713 HydrophobicContact CD1-CG1 4.43Å; L562-V713 HydrophobicContact CD1-CG2 3.73Å; F709-V713 HydrophobicContact CD1-CG2 4.49Å; F709-V713 HydrophobicContact CD2-CG2 3.8Å; F709-V713 HydrophobicContact CE1-CG2 4.08Å; F709-V713 HydrophobicContact CE2-CG2 3.26Å; F709-V713 HydrophobicContact CG-CG2 4.38Å; F709-V713 HydrophobicContact CZ-CG2 3.45Å; F709-V713 VanDerWaalsContact CZ-CG2 3.45Å; F709-V713 WeakPolarHBondContact O-CG2 3.27Å; F709-V713 PolarHBondContact O-N 2.88Å; A710-V713 PolarHBondContact O-N 2.57Å; V713-K715 PolarHBondContact O-N 3.13Å; V713-K715 VanDerWaalsContact O-N 3.14Å; V713-I716 WeakPolarHBondContact O-CB 3.09Å; V713-I716 PolarHBondContact O-N 3.47Å; V713-L745 HydrophobicContact CB-CD2 3.54Å; V713-L745 HydrophobicContact CG1-CD2 3.49Å; V713-L745 VanDerWaalsContact CG1-CD2 3.49Å
714	S	84.1	Confident	84.5	Confident	70 Å²	70	61.2 Å²	61.2	49%	0.49	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.7	177.6	66.3	0	0	0	0	114	A710 L711 S712	A710-S714 PolarHBondContact O-N 3.3Å; A710-S714 PolarHBondContact O-OG 3.38Å; L711-S714 PolarHBondContact O-OG 2.78Å; L711-S714 VanDerWaalsContact O-OG 3.11Å; S712-S714 VanDerWaalsContact C-N 3.32Å; S712-S714 PolarHBondContact O-N 3.27Å
715	K	83.4	Confident	84.1	Confident	162 Å²	162	58.7 Å²	58.7	70%	0.704	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-11.1	175.9	-65	172.6	-175.6	179.7	0	113.1	L711 S712 V713	L711-K715 WeakPolarHBondContact O-CD 3.49Å; L711-K715 WeakPolarHBondContact O-CE 3.47Å; L711-K715 WeakPolarHBondContact O-CG 3.47Å; S712-K715 WeakPolarHBondContact O-CB 3.37Å; S712-K715 PolarHBondContact O-N 2.84Å; V713-K715 PolarHBondContact O-N 3.13Å; V713-K715 VanDerWaalsContact O-N 3.14Å
716	I	79.5	Confident	83.7	Confident	15 Å²	15	60.4 Å²	60.4	8%	0.077	30%	0.303	C	S	.	.			trans	-75.6	128.2	-179	-62.1	-178	0	0	0	109.5	V559 L562 K563 V713	V559-I716 HydrophobicContact CG1-CD1 3.67Å; L562-I716 HydrophobicContact CB-CD1 4.32Å; L562-I716 HydrophobicContact CD1-CD1 4.5Å; K563-I716 HydrophobicContact CG-CD1 4.4Å; K563-I716 HydrophobicContact CG-CG2 3.75Å; V713-I716 WeakPolarHBondContact O-CB 3.09Å; V713-I716 PolarHBondContact O-N 3.47Å
717	K	78.1	Confident	82.8	Confident	186 Å²	186	68 Å²	68	81%	0.809	34%	0.344	S	S	*	.	S	Bend	trans	-128.1	131.3	173.8	-65.4	-174.1	178.8	-175.6	0	108.9
718	P	79.5	Confident	81.7	Confident	111 Å²	111	70.5 Å²	70.5	72%	0.721	36%	0.364	S	S	*	.	S	Bend	cis	-65	161.5	-4	30.3	-36	0	0	0	112.6
719	P	77.3	Confident	80.7	Confident	58 Å²	58	67.4 Å²	67.4	38%	0.377	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-57.7	142.3	178.4	23.6	-33.2	0	0	0	111.7	Y675 L738 I743	Y675-P719 WeakPolarHBondContact OH-CB 3.42Å; P719-L738 HydrophobicContact CG-CD2 4.1Å; P719-I743 HydrophobicContact CB-CD1 3.35Å; P719-I743 HydrophobicContact CG-CD1 3.89Å
720	C	76.8	Confident	80.2	Confident	14 Å²	14	74.2 Å²	74.2	10%	0.095	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-62.4	140.5	-177.2	-60.7	0	0	0	0	112	L569 Y675	L569-C720 HydrophobicContact CD1-CB 4.25Å; Y675-C720 PolarHBondContact OH-N 2.93Å; Y675-C720 PolarHBondContact OH-O 3.44Å
721	K	82.2	Confident	79.9	Confident	112 Å²	112	76.8 Å²	76.8	49%	0.487	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-68.3	131	173.7	-76.8	-178.7	-167.9	168.7	0	111	E565 F723 M733	E565-K721 WeakPolarHBondContact OE1-CD 3.34Å; E565-K721 WeakPolarHBondContact OE1-CE 3.36Å; E565-K721 IonicContact OE1-NZ 3.61Å; E565-K721 PolarHBondContact OE1-NZ 2.79Å; K721-F723 HydrophobicContact CB-CD2 4.44Å; K721-F723 HydrophobicContact CB-CE2 3.72Å; K721-F723 HydrophobicContact CB-CZ 4.26Å; K721-M733 HydrophobicContact CB-CE 3.42Å; K721-M733 VanDerWaalsContact CB-CE 3.42Å; K721-M733 HydrophobicContact CB-SD 3.76Å; K721-M733 HydrophobicContact CD-CE 3.93Å; K721-M733 HydrophobicContact CD-SD 4.01Å; K721-M733 HydrophobicContact CG-CE 3.58Å; K721-M733 HydrophobicContact CG-SD 4.18Å
722	L	83.8	Confident	79.6	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.7	174	-175.8	66.4	0	0	0	110	L569 T571 Y675 C680 M733 I734 I736	L569-L722 HydrophobicContact CB-CD1 4Å; T571-L722 HydrophobicContact CG2-CD1 3.86Å; T571-L722 HydrophobicContact CG2-CD2 3.8Å; T571-L722 HydrophobicContact CG2-CG 3.84Å; Y675-L722 HydrophobicContact CD1-CB 4.2Å; Y675-L722 HydrophobicContact CD1-CD1 4.29Å; Y675-L722 HydrophobicContact CD1-CD2 4.27Å; Y675-L722 HydrophobicContact CD1-CG 4.49Å; Y675-L722 HydrophobicContact CE1-CB 4.26Å; C680-L722 HydrophobicContact CB-CD1 3.75Å; L722-M733 WeakPolarHBondContact O-CE 3.32Å; L722-I734 HydrophobicContact CB-CB 4.43Å; L722-I734 HydrophobicContact CD2-CB 4.33Å; L722-I734 HydrophobicContact CD2-CD1 3.87Å; L722-I734 HydrophobicContact CD2-CG2 4.48Å; L722-I734 HydrophobicContact CG-CB 4.44Å; L722-I734 HydrophobicContact CG-CD1 4.15Å; L722-I734 PolarHBondContact O-N 3.28Å; L722-I736 HydrophobicContact CB-CD1 4.12Å
723	F	85.3	Confident	79.4	Confident	18 Å²	18	76.1 Å²	76.1	8%	0.079	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148	-178.5	-66.7	-99.4	0	0	0	111.7	I568 L569 V570 T571 K721 L731 S732 M733	I568-F723 HydrophobicContact CB-CD2 3.7Å; I568-F723 HydrophobicContact CB-CE2 3.87Å; I568-F723 HydrophobicContact CB-CG 4.48Å; I568-F723 HydrophobicContact CD1-CB 4.35Å; I568-F723 HydrophobicContact CD1-CD2 4.26Å; I568-F723 HydrophobicContact CD1-CG 4.21Å; I568-F723 HydrophobicContact CG2-CD2 3.83Å; I568-F723 HydrophobicContact CG2-CE2 3.46Å; I568-F723 VanDerWaalsContact CG2-CE2 3.46Å; I568-F723 HydrophobicContact CG2-CZ 4.01Å; L569-F723 PolarHBondContact O-N 3.31Å; V570-F723 CarbonylContact C-O 3.59Å; V570-F723 VanDerWaalsContact CA-O 3.28Å; V570-F723 WeakPolarHBondContact CA-O 3.37Å; T571-F723 PolarHBondContact N-O 3.24Å; T571-F723 PolarHBondContact OG1-O 3.34Å; K721-F723 HydrophobicContact CB-CD2 4.44Å; K721-F723 HydrophobicContact CB-CE2 3.72Å; K721-F723 HydrophobicContact CB-CZ 4.26Å; F723-L731 HydrophobicContact CB-CD2 4.05Å; F723-L731 HydrophobicContact CD1-CB 4.05Å; F723-L731 HydrophobicContact CD1-CD2 4.48Å; F723-S732 CarbonylContact C-O 3.43Å; F723-S732 WeakPolarHBondContact CA-O 3.39Å; F723-M733 HydrophobicContact CD1-CG 4.12Å; F723-M733 HydrophobicContact CD1-SD 3.48Å; F723-M733 WeakPolarHBondContact CD1-SD 3.24Å; F723-M733 HydrophobicContact CD2-SD 3.89Å; F723-M733 HydrophobicContact CE1-CG 3.81Å; F723-M733 HydrophobicContact CE1-SD 3.16Å; F723-M733 WeakPolarHBondContact CE1-SD 3.31Å; F723-M733 HydrophobicContact CE2-SD 3.59Å; F723-M733 VanDerWaalsContact CE2-SD 3.59Å; F723-M733 HydrophobicContact CG-SD 3.86Å; F723-M733 HydrophobicContact CZ-CG 4.35Å; F723-M733 HydrophobicContact CZ-SD 3.22Å; F723-M733 WeakPolarHBondContact CZ-SD 3.3Å
724	K	84.7	Confident	78.9	Confident	89 Å²	89	78 Å²	78	39%	0.387	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.4	171.9	-174.2	179.4	-179.1	174	0	109.6	S574 S732 I734	S574-K724 VanDerWaalsContact CB-CG 3.47Å; K724-S732 PolarHBondContact N-O 3.26Å; K724-S732 PolarHBondContact O-N 2.59Å; K724-S732 PolarHBondContact O-OG 2.86Å; K724-I734 HydrophobicContact CB-CD1 4.04Å; K724-I734 HydrophobicContact CB-CG1 4.05Å
725	L	81.1	Confident	78.1	Confident	18 Å²	18	81.3 Å²	81.3	9%	0.094	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127	174.4	-161.6	71.8	0	0	0	109.9	V570 S574 L575 P688 G729 L731	V570-L725 HydrophobicContact CG1-CB 4.43Å; S574-L725 VanDerWaalsContact CB-N 3.33Å; S574-L725 WeakPolarHBondContact CB-O 3.28Å; S574-L725 PolarHBondContact OG-N 3.07Å; S574-L725 VanDerWaalsContact OG-N 3.16Å; L575-L725 HydrophobicContact CD2-CB 4.11Å; L575-L725 HydrophobicContact CD2-CD2 3.52Å; L575-L725 HydrophobicContact CD2-CG 4.44Å; P688-L725 HydrophobicContact CB-CD1 4.18Å; P688-L725 HydrophobicContact CG-CD1 3.62Å; L725-G729 WeakPolarHBondContact CD1-O 3.4Å; L725-L731 HydrophobicContact CD1-CD2 3.85Å; L725-L731 HydrophobicContact CD1-CG 4.24Å
726	N	78.2	Confident	77.2	Confident	71 Å²	71	75.4 Å²	75.4	38%	0.38	40%	0.397	S	S	.	.			trans	-85.2	161.1	173.5	-65.9	-27.4	0	0	0	110.5	N728 G729 K730 S732	N726-N728 PolarHBondContact O-N 3.41Å; N726-G729 WeakPolarHBondContact O-CA 3.37Å; N726-G729 PolarHBondContact O-N 3.4Å; N726-K730 WeakPolarHBondContact CB-O 3.38Å; N726-K730 PolarHBondContact N-O 3.3Å; N726-S732 PolarHBondContact OD1-OG 3.44Å
727	D	71.4	Confident	76.1	Confident	159 Å²	159	81.3 Å²	81.3	85%	0.85	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.6	178.7	-60.5	-20.9	0	0	0	113.6	G729	D727-G729 PolarHBondContact O-N 2.91Å
728	N	67.1	Low	74.9	Confident	143 Å²	143	78.2 Å²	78.2	77%	0.765	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	6	176.8	-58.6	2.3	0	0	0	113.5	N726 K730	N726-N728 PolarHBondContact O-N 3.41Å; N728-K730 VanDerWaalsContact C-N 3.26Å; N728-K730 PolarHBondContact O-N 3.06Å
729	G	68.5	Low	73.4	Confident	45 Å²	45	79.3 Å²	79.3	46%	0.464	42%	0.421	S	S	.	.	S	Bend	trans	75.1	5.4	-174.2	0	0	0	0	0	115.1	L725 N726 D727	L725-G729 WeakPolarHBondContact CD1-O 3.4Å; N726-G729 WeakPolarHBondContact O-CA 3.37Å; N726-G729 PolarHBondContact O-N 3.4Å; D727-G729 PolarHBondContact O-N 2.91Å
730	K	77.9	Confident	72	Confident	150 Å²	150	84.7 Å²	84.7	65%	0.652	45%	0.446	S	S	*	.			trans	-85.5	137.3	179.8	-69.3	-172.4	178.3	-176.8	0	111.7	N726 N728	N726-K730 WeakPolarHBondContact CB-O 3.38Å; N726-K730 PolarHBondContact N-O 3.3Å; N728-K730 VanDerWaalsContact C-N 3.26Å; N728-K730 PolarHBondContact O-N 3.06Å
731	L	80.9	Confident	70.8	Confident	58 Å²	58	92.6 Å²	92.6	30%	0.304	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.4	174.4	-69.6	167.5	0	0	0	111.1	I568 V570 P688 F723 L725	I568-L731 HydrophobicContact CD1-CD1 3.61Å; I568-L731 HydrophobicContact CD1-CD2 3.75Å; I568-L731 HydrophobicContact CD1-CG 4.35Å; V570-L731 HydrophobicContact CG2-CD2 4.47Å; P688-L731 HydrophobicContact CB-CD2 3.87Å; P688-L731 HydrophobicContact CG-CD1 4.22Å; P688-L731 HydrophobicContact CG-CD2 3.94Å; P688-L731 HydrophobicContact CG-CG 4.1Å; F723-L731 HydrophobicContact CB-CD2 4.05Å; F723-L731 HydrophobicContact CD1-CB 4.05Å; F723-L731 HydrophobicContact CD1-CD2 4.48Å; L725-L731 HydrophobicContact CD1-CD2 3.85Å; L725-L731 HydrophobicContact CD1-CG 4.24Å
732	S	80.9	Confident	69.6	Low	36 Å²	36	96.4 Å²	96.4	25%	0.252	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.7	170.3	59.3	0	0	0	0	110	F723 K724 N726	F723-S732 CarbonylContact C-O 3.43Å; F723-S732 WeakPolarHBondContact CA-O 3.39Å; K724-S732 PolarHBondContact N-O 3.26Å; K724-S732 PolarHBondContact O-N 2.59Å; K724-S732 PolarHBondContact O-OG 2.86Å; N726-S732 PolarHBondContact OD1-OG 3.44Å
733	M	81.2	Confident	68.8	Low	76 Å²	76	99 Å²	99	37%	0.374	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.3	178.4	-85	-61.9	-46.7	0	0	110.3	K721 L722 F723	K721-M733 HydrophobicContact CB-CE 3.42Å; K721-M733 VanDerWaalsContact CB-CE 3.42Å; K721-M733 HydrophobicContact CB-SD 3.76Å; K721-M733 HydrophobicContact CD-CE 3.93Å; K721-M733 HydrophobicContact CD-SD 4.01Å; K721-M733 HydrophobicContact CG-CE 3.58Å; K721-M733 HydrophobicContact CG-SD 4.18Å; L722-M733 WeakPolarHBondContact O-CE 3.32Å; F723-M733 HydrophobicContact CD1-CG 4.12Å; F723-M733 HydrophobicContact CD1-SD 3.48Å; F723-M733 WeakPolarHBondContact CD1-SD 3.24Å; F723-M733 HydrophobicContact CD2-SD 3.89Å; F723-M733 HydrophobicContact CE1-CG 3.81Å; F723-M733 HydrophobicContact CE1-SD 3.16Å; F723-M733 WeakPolarHBondContact CE1-SD 3.31Å; F723-M733 HydrophobicContact CE2-SD 3.59Å; F723-M733 VanDerWaalsContact CE2-SD 3.59Å; F723-M733 HydrophobicContact CG-SD 3.86Å; F723-M733 HydrophobicContact CZ-CG 4.35Å; F723-M733 HydrophobicContact CZ-SD 3.22Å; F723-M733 WeakPolarHBondContact CZ-SD 3.3Å
734	I	75.7	Confident	68.5	Low	44 Å²	44	101.8 Å²	101.8	23%	0.226	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.8	167.3	-59.2	-178.5	0	0	0	107.4	T571 E678 L722 K724 I736	T571-I734 HydrophobicContact CG2-CD1 3.57Å; E678-I734 VanDerWaalsContact OE2-CD1 3.29Å; E678-I734 WeakPolarHBondContact OE2-CD1 3.21Å; L722-I734 HydrophobicContact CB-CB 4.43Å; L722-I734 HydrophobicContact CD2-CB 4.33Å; L722-I734 HydrophobicContact CD2-CD1 3.87Å; L722-I734 HydrophobicContact CD2-CG2 4.48Å; L722-I734 HydrophobicContact CG-CB 4.44Å; L722-I734 HydrophobicContact CG-CD1 4.15Å; L722-I734 PolarHBondContact O-N 3.28Å; K724-I734 HydrophobicContact CB-CD1 4.04Å; K724-I734 HydrophobicContact CB-CG1 4.05Å; I734-I736 PolarHBondContact O-N 3.18Å
735	N	67.3	Low	68.5	Low	141 Å²	141	98.7 Å²	98.7	75%	0.754	52%	0.516	S	S	*	.			trans	-73.7	109.9	169.7	-74.6	-20.3	0	0	0	108	D737	N735-D737 PolarHBondContact O-N 3.28Å
736	I	63	Low	68.8	Low	37 Å²	37	99.3 Å²	99.3	19%	0.19	52%	0.519	C	S	.	.			trans	-80.8	115.8	170.4	-63.8	166.6	0	0	0	106.4	Y675 S676 L722 I734 L738	Y675-I736 HydrophobicContact CD1-CD1 3.83Å; Y675-I736 HydrophobicContact CE1-CD1 3.24Å; S676-I736 WeakPolarHBondContact OG-CG2 3.31Å; L722-I736 HydrophobicContact CB-CD1 4.12Å; I734-I736 PolarHBondContact O-N 3.18Å; I736-L738 PolarHBondContact O-N 3.48Å
737	D	57.5	Low	69.5	Low	139 Å²	139	96.1 Å²	96.1	74%	0.743	50%	0.502	S	S	*	.			trans	-62.7	103.5	173.5	-71.5	-29.1	0	0	0	108.7	N735 N739	N735-D737 PolarHBondContact O-N 3.28Å; D737-N739 PolarHBondContact O-N 3.04Å
738	L	51.9	Low	70.4	Confident	121 Å²	121	88.6 Å²	88.6	63%	0.634	46%	0.462	S	S	*	.			trans	-73.4	36.6	-179.3	-73.7	161.9	0	0	0	112.8	P719 I736 D740 I743	P719-L738 HydrophobicContact CG-CD2 4.1Å; I736-L738 PolarHBondContact O-N 3.48Å; L738-D740 PolarHBondContact O-N 3.19Å; L738-I743 HydrophobicContact CD2-CD1 4.18Å
739	N	49.7	Very low	71.6	Confident	135 Å²	135	85 Å²	85	72%	0.722	44%	0.439	S	S	*	.	S	Bend	trans	-76.9	85.9	177.8	-76.9	-13.8	0	0	0	110.2	D737 Q741	D737-N739 PolarHBondContact O-N 3.04Å; N739-Q741 PolarHBondContact O-N 3.44Å
740	D	47	Very low	72.7	Confident	171 Å²	171	86.6 Å²	86.6	91%	0.914	44%	0.435	S	S	*	.	S	Bend	trans	46.6	-0.5	164.4	-78.6	-26.3	0	0	0	119.9	L738	L738-D740 PolarHBondContact O-N 3.19Å
741	Q	51.7	Low	73.3	Confident	179 Å²	179	79.5 Å²	79.5	84%	0.836	40%	0.404	S	S	*	.			trans	-84.5	118.7	170.8	-68.5	-176.7	-9.6	0	0	108.3	N739 I743	N739-Q741 PolarHBondContact O-N 3.44Å; Q741-I743 PolarHBondContact O-N 3.26Å
742	Q	58.1	Low	73.8	Confident	192 Å²	192	76.8 Å²	76.8	90%	0.897	39%	0.39	S	S	*	.			trans	-49.5	126.9	171	-72.4	179.6	-9.7	0	0	109.2	E744	Q742-E744 PolarHBondContact O-N 2.9Å
743	I	66.1	Low	74.2	Confident	57 Å²	57	81 Å²	81	29%	0.292	40%	0.403	S	S	.	.			trans	-58.1	110.2	177.4	-63.3	165.1	0	0	0	108.3	Y675 P719 L738 Q741 L745	Y675-I743 HydrophobicContact CD2-CG2 4.05Å; Y675-I743 HydrophobicContact CE2-CG2 3.61Å; P719-I743 HydrophobicContact CB-CD1 3.35Å; P719-I743 HydrophobicContact CG-CD1 3.89Å; L738-I743 HydrophobicContact CD2-CD1 4.18Å; Q741-I743 PolarHBondContact O-N 3.26Å; I743-L745 PolarHBondContact O-N 3.47Å; I743-L745 VanDerWaalsContact O-N 3.13Å
744	E	78.1	Confident	74.5	Confident	76 Å²	76	79.7 Å²	79.7	36%	0.355	40%	0.397	S	S	.	.			trans	-72.5	105.7	177	-175.9	-179.7	-139.1	0	0	108.5	K674 S676 Q742 L746 Q754	K674-E744 VanDerWaalsContact CE-OE2 3.29Å; K674-E744 WeakPolarHBondContact CE-OE2 3.39Å; K674-E744 IonicContact NZ-OE2 2.71Å; K674-E744 PolarHBondContact NZ-OE2 3.25Å; S676-E744 PolarHBondContact N-O 3.44Å; Q742-E744 PolarHBondContact O-N 2.9Å; E744-L746 HydrophobicContact CG-CD1 3.86Å; E744-L746 HydrophobicContact CG-CD2 4.48Å; E744-L746 HydrophobicContact CG-CG 3.84Å; E744-L746 WeakPolarHBondContact OE1-CD1 3.5Å; E744-Q754 PolarHBondContact OE1-NE2 3.13Å; E744-Q754 PolarHBondContact OE1-OE1 3.44Å
745	L	84.7	Confident	75	Confident	25 Å²	25	77.6 Å²	77.6	13%	0.131	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.6	174.1	-177.7	55.6	0	0	0	110.3	V673 K674 Y675 A710 V713 I743	V673-L745 HydrophobicContact CB-CD1 3.78Å; V673-L745 HydrophobicContact CG2-CD1 3.77Å; K674-L745 WeakPolarHBondContact O-CA 3.47Å; K674-L745 WeakPolarHBondContact O-CD1 3.44Å; Y675-L745 HydrophobicContact CD2-CD1 3.88Å; A710-L745 HydrophobicContact CB-CD2 4.5Å; A710-L745 HydrophobicContact CB-CG 4.18Å; A710-L745 WeakPolarHBondContact O-CD2 3.43Å; V713-L745 HydrophobicContact CB-CD2 3.54Å; V713-L745 HydrophobicContact CG1-CD2 3.49Å; V713-L745 VanDerWaalsContact CG1-CD2 3.49Å; I743-L745 PolarHBondContact O-N 3.47Å; I743-L745 VanDerWaalsContact O-N 3.13Å
746	L	88.7	Confident	75.9	Confident	30 Å²	30	71.6 Å²	71.6	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.7	-176.9	-62.4	176.3	0	0	0	110.9	V673 K674 E744 Q750	V673-L746 WeakPolarHBondContact CA-O 3.37Å; K674-L746 HydrophobicContact CB-CB 4.33Å; K674-L746 HydrophobicContact CD-CD1 4.42Å; K674-L746 PolarHBondContact N-O 3.32Å; K674-L746 PolarHBondContact O-N 3.45Å; K674-L746 VanDerWaalsContact O-N 3.09Å; E744-L746 HydrophobicContact CG-CD1 3.86Å; E744-L746 HydrophobicContact CG-CD2 4.48Å; E744-L746 HydrophobicContact CG-CG 3.84Å; E744-L746 WeakPolarHBondContact OE1-CD1 3.5Å; L746-Q750 HydrophobicContact CB-CB 3.97Å; L746-Q750 HydrophobicContact CD2-CB 4.13Å; L746-Q750 HydrophobicContact CG-CB 4.47Å
747	S	91.4	Very high	76.7	Confident	5 Å²	5	75.8 Å²	75.8	4%	0.035	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	160.7	165	72.2	0	0	0	0	110.5	K749 Q750 M751	S747-K749 VanDerWaalsContact C-N 3.26Å; S747-K749 PolarHBondContact O-N 2.94Å; S747-Q750 WeakPolarHBondContact O-CB 3.41Å; S747-Q750 PolarHBondContact O-N 2.84Å; S747-Q750 WeakPolarHBondContact OG-CG 3.37Å; S747-Q750 PolarHBondContact OG-N 3.47Å; S747-Q750 PolarHBondContact OG-OE1 3.2Å; S747-M751 PolarHBondContact O-N 3.45Å
748	L	91.4	Very high	77.4	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.6	-42.2	-178.7	-170.7	60.5	0	0	0	111.1	C666 V672 E706 Q750 M751 F752 Y805 F893	C666-L748 HydrophobicContact CB-CD2 4.47Å; V672-L748 HydrophobicContact CB-CD2 4.19Å; V672-L748 HydrophobicContact CG1-CD1 4.16Å; V672-L748 HydrophobicContact CG1-CD2 4.47Å; E706-L748 WeakPolarHBondContact OE1-CB 3.46Å; E706-L748 PolarHBondContact OE1-N 3.43Å; L748-Q750 VanDerWaalsContact C-N 3.31Å; L748-Q750 PolarHBondContact O-N 2.88Å; L748-M751 HydrophobicContact CD1-CE 3.46Å; L748-M751 VanDerWaalsContact CD1-CE 3.46Å; L748-M751 HydrophobicContact CD1-SD 4.36Å; L748-M751 WeakPolarHBondContact O-CB 3.45Å; L748-M751 PolarHBondContact O-N 2.99Å; L748-M751 VanDerWaalsContact O-N 3.16Å; L748-F752 HydrophobicContact CD1-CD2 4.13Å; L748-F752 HydrophobicContact CD1-CE2 3.81Å; L748-F752 HydrophobicContact CG-CD2 4.06Å; L748-F752 HydrophobicContact CG-CE2 3.93Å; L748-F752 WeakPolarHBondContact O-CD2 3.46Å; L748-F752 PolarHBondContact O-N 2.99Å; L748-Y805 HydrophobicContact CD2-CE2 4.29Å; L748-Y805 VanDerWaalsContact CD2-OH 3.27Å; L748-Y805 WeakPolarHBondContact CD2-OH 3.3Å; L748-Y805 HydrophobicContact CG-CE2 4.24Å; L748-F893 HydrophobicContact CD2-CE2 4.39Å
749	K	91.9	Very high	77.8	Confident	67 Å²	67	67.9 Å²	67.9	29%	0.291	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-37.8	175.3	-171.4	173.2	-164.7	161.9	0	113.1	E703 S747 K753 Y805	E703-K749 IonicContact OE1-NZ 3.37Å; E703-K749 WeakPolarHBondContact OE2-CD 3.44Å; E703-K749 WeakPolarHBondContact OE2-CE 3.33Å; E703-K749 IonicContact OE2-NZ 3.77Å; E703-K749 PolarHBondContact OE2-NZ 3.27Å; S747-K749 VanDerWaalsContact C-N 3.26Å; S747-K749 PolarHBondContact O-N 2.94Å; K749-K753 WeakPolarHBondContact O-CG 3.47Å; K749-K753 PolarHBondContact O-N 3.18Å; K749-K753 VanDerWaalsContact O-N 3.14Å; K749-Y805 HydrophobicContact CB-CD1 4.28Å; K749-Y805 HydrophobicContact CB-CE1 4.05Å; K749-Y805 HydrophobicContact CG-CD1 4.08Å; K749-Y805 HydrophobicContact CG-CE1 4.3Å
750	Q	91.5	Very high	78.1	Confident	80 Å²	80	66.1 Å²	66.1	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-70.6	-39	176.1	-73.3	172.2	-35.3	0	0	111.5	L746 S747 L748 K753 Q754	L746-Q750 HydrophobicContact CB-CB 3.97Å; L746-Q750 HydrophobicContact CD2-CB 4.13Å; L746-Q750 HydrophobicContact CG-CB 4.47Å; S747-Q750 WeakPolarHBondContact O-CB 3.41Å; S747-Q750 PolarHBondContact O-N 2.84Å; S747-Q750 WeakPolarHBondContact OG-CG 3.37Å; S747-Q750 PolarHBondContact OG-N 3.47Å; S747-Q750 PolarHBondContact OG-OE1 3.2Å; L748-Q750 VanDerWaalsContact C-N 3.31Å; L748-Q750 PolarHBondContact O-N 2.88Å; Q750-K753 PolarHBondContact O-N 3.48Å; Q750-Q754 WeakPolarHBondContact O-CB 3.48Å; Q750-Q754 PolarHBondContact O-N 2.79Å
751	M	91.1	Very high	78.4	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-46.8	173.5	-179.8	-174.4	88.9	0	0	111.6	P605 T607 I610 K674 T679 S747 L748 K753 Q754 A755	P605-M751 WeakPolarHBondContact O-CE 3.41Å; T607-M751 WeakPolarHBondContact OG1-CG 3.15Å; I610-M751 HydrophobicContact CD1-CE 3.89Å; K674-M751 HydrophobicContact CB-CB 4.35Å; K674-M751 HydrophobicContact CB-CG 4.4Å; K674-M751 HydrophobicContact CB-SD 4.04Å; K674-M751 HydrophobicContact CD-CB 4.29Å; K674-M751 HydrophobicContact CD-CG 3.82Å; K674-M751 HydrophobicContact CD-SD 4.1Å; K674-M751 HydrophobicContact CG-SD 4.4Å; T679-M751 HydrophobicContact CG2-CE 3.86Å; T679-M751 HydrophobicContact CG2-SD 3.52Å; T679-M751 VanDerWaalsContact CG2-SD 3.52Å; S747-M751 PolarHBondContact O-N 3.45Å; L748-M751 HydrophobicContact CD1-CE 3.46Å; L748-M751 VanDerWaalsContact CD1-CE 3.46Å; L748-M751 HydrophobicContact CD1-SD 4.36Å; L748-M751 WeakPolarHBondContact O-CB 3.45Å; L748-M751 PolarHBondContact O-N 2.99Å; L748-M751 VanDerWaalsContact O-N 3.16Å; M751-K753 PolarHBondContact O-N 3.34Å; M751-Q754 PolarHBondContact O-N 3.03Å; M751-A755 WeakPolarHBondContact O-CB 3.44Å; M751-A755 PolarHBondContact O-N 3.01Å
752	F	91.5	Very high	78.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-43.2	176.6	-87.5	-87	0	0	0	112	P605 I610 W664 L748 Q754 A755 F756 Y805 F893	P605-F752 HydrophobicContact CG-CZ 3.78Å; I610-F752 HydrophobicContact CD1-CD1 3.61Å; I610-F752 HydrophobicContact CD1-CD2 4.33Å; I610-F752 HydrophobicContact CD1-CE1 3.44Å; I610-F752 VanDerWaalsContact CD1-CE1 3.44Å; I610-F752 HydrophobicContact CD1-CE2 4.18Å; I610-F752 HydrophobicContact CD1-CG 4.07Å; I610-F752 HydrophobicContact CD1-CZ 3.75Å; I610-F752 HydrophobicContact CG1-CD1 4.35Å; I610-F752 HydrophobicContact CG1-CE1 3.84Å; I610-F752 HydrophobicContact CG1-CZ 4.27Å; W664-F752 HydrophobicContact CB-CD1 4.24Å; W664-F752 HydrophobicContact CB-CE1 3.7Å; W664-F752 HydrophobicContact CB-CZ 4.34Å; W664-F752 AromaticContact CD2-CE1 3.62Å; W664-F752 HydrophobicContact CD2-CE1 3.62Å; W664-F752 HydrophobicContact CD2-CZ 4.33Å; W664-F752 AromaticContact CE3-CE1 3.82Å; W664-F752 HydrophobicContact CE3-CE1 3.82Å; W664-F752 HydrophobicContact CE3-CZ 4.08Å; W664-F752 HydrophobicContact CG-CD1 4.2Å; W664-F752 AromaticContact CG-CE1 3.57Å; W664-F752 HydrophobicContact CG-CE1 3.57Å; W664-F752 HydrophobicContact CG-CZ 4.47Å; L748-F752 HydrophobicContact CD1-CD2 4.13Å; L748-F752 HydrophobicContact CD1-CE2 3.81Å; L748-F752 HydrophobicContact CG-CD2 4.06Å; L748-F752 HydrophobicContact CG-CE2 3.93Å; L748-F752 WeakPolarHBondContact O-CD2 3.46Å; L748-F752 PolarHBondContact O-N 2.99Å; F752-Q754 VanDerWaalsContact C-N 3.33Å; F752-Q754 PolarHBondContact O-N 3.42Å; F752-A755 PolarHBondContact O-N 3.26Å; F752-F756 HydrophobicContact CB-CE2 4.2Å; F752-F756 HydrophobicContact CB-CZ 4.12Å; F752-F756 AromaticContact CD1-CE1 3.86Å; F752-F756 HydrophobicContact CD1-CE1 3.86Å; F752-F756 AromaticContact CD1-CZ 3.65Å; F752-F756 HydrophobicContact CD1-CZ 3.65Å; F752-F756 HydrophobicContact CG-CZ 4.36Å; F752-F756 WeakPolarHBondContact O-CB 3.16Å; F752-F756 WeakPolarHBondContact O-CD1 3.49Å; F752-F756 VanDerWaalsContact O-CD2 3.28Å; F752-F756 WeakPolarHBondContact O-CD2 3.48Å; F752-F756 WeakPolarHBondContact O-CG 3.48Å; F752-F756 PolarHBondContact O-N 3.23Å; F752-Y805 HydrophobicContact CB-CD2 4.09Å; F752-Y805 HydrophobicContact CB-CG 4.22Å; F752-Y805 AromaticContact CD1-CD2 3.91Å; F752-Y805 HydrophobicContact CD1-CD2 3.91Å; F752-Y805 AromaticContact CD2-CD2 3.37Å; F752-Y805 HydrophobicContact CD2-CD2 3.37Å; F752-Y805 AromaticContact CD2-CE2 3.43Å; F752-Y805 HydrophobicContact CD2-CE2 3.43Å; F752-Y805 VanDerWaalsContact CD2-CE2 3.43Å; F752-Y805 HydrophobicContact CD2-CG 4.26Å; F752-Y805 HydrophobicContact CE1-CD2 4.18Å; F752-Y805 AromaticContact CE2-CD2 3.68Å; F752-Y805 HydrophobicContact CE2-CD2 3.68Å; F752-Y805 AromaticContact CE2-CE2 3.5Å; F752-Y805 HydrophobicContact CE2-CE2 3.5Å; F752-Y805 VanDerWaalsContact CE2-CE2 3.5Å; F752-Y805 AromaticContact CG-CD2 3.5Å; F752-Y805 HydrophobicContact CG-CD2 3.5Å; F752-Y805 VanDerWaalsContact CG-CD2 3.5Å; F752-Y805 HydrophobicContact CG-CE2 4.08Å; F752-Y805 HydrophobicContact CG-CG 4.13Å; F752-Y805 HydrophobicContact CZ-CD2 4.07Å; F752-Y805 HydrophobicContact CZ-CE2 4.18Å; F752-F893 HydrophobicContact CE2-CE1 4.34Å; F752-F893 HydrophobicContact CE2-CE2 4.38Å; F752-F893 AromaticContact CE2-CZ 3.63Å; F752-F893 HydrophobicContact CE2-CZ 3.63Å; F752-F893 AromaticContact CZ-CE1 3.73Å; F752-F893 HydrophobicContact CZ-CE1 3.73Å; F752-F893 HydrophobicContact CZ-CE2 4.28Å; F752-F893 AromaticContact CZ-CZ 3.43Å; F752-F893 HydrophobicContact CZ-CZ 3.43Å; F752-F893 VanDerWaalsContact CZ-CZ 3.43Å
753	K	89.3	Confident	78	Confident	124 Å²	124	47.1 Å²	47.1	54%	0.539	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-41.3	174.7	-74.9	-179.3	175.8	-168.6	0	112.6	K749 Q750 M751 N757	K749-K753 WeakPolarHBondContact O-CG 3.47Å; K749-K753 PolarHBondContact O-N 3.18Å; K749-K753 VanDerWaalsContact O-N 3.14Å; Q750-K753 PolarHBondContact O-N 3.48Å; M751-K753 PolarHBondContact O-N 3.34Å; K753-N757 PolarHBondContact O-N 2.95Å; K753-N757 PolarHBondContact O-ND2 2.95Å
754	Q	87.3	Confident	76.9	Confident	50 Å²	50	47.5 Å²	47.5	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-47.1	175.8	-176.5	-176.1	22.5	0	0	111	E744 Q750 M751 F752 F756 N757 M758	E744-Q754 PolarHBondContact OE1-NE2 3.13Å; E744-Q754 PolarHBondContact OE1-OE1 3.44Å; Q750-Q754 WeakPolarHBondContact O-CB 3.48Å; Q750-Q754 PolarHBondContact O-N 2.79Å; M751-Q754 PolarHBondContact O-N 3.03Å; F752-Q754 VanDerWaalsContact C-N 3.33Å; F752-Q754 PolarHBondContact O-N 3.42Å; Q754-F756 VanDerWaalsContact C-N 3.35Å; Q754-F756 PolarHBondContact O-N 3.45Å; Q754-N757 PolarHBondContact O-N 3.32Å; Q754-N757 VanDerWaalsContact O-N 3.11Å; Q754-M758 HydrophobicContact CG-SD 3.97Å; Q754-M758 WeakPolarHBondContact O-CG 3.27Å; Q754-M758 PolarHBondContact O-N 3.35Å; Q754-M758 VanDerWaalsContact O-N 3.15Å
755	A	85.8	Confident	75	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-46.2	178.4	0	0	0	0	0	111.3	T607 I610 M751 F752 N757 M758 V759	T607-A755 HydrophobicContact CG2-CB 4.08Å; I610-A755 HydrophobicContact CB-CB 4.08Å; I610-A755 HydrophobicContact CD1-CB 3.91Å; I610-A755 HydrophobicContact CG2-CB 3.87Å; M751-A755 WeakPolarHBondContact O-CB 3.44Å; M751-A755 PolarHBondContact O-N 3.01Å; F752-A755 PolarHBondContact O-N 3.26Å; A755-N757 PolarHBondContact O-N 3.46Å; A755-M758 PolarHBondContact O-N 2.85Å; A755-M758 VanDerWaalsContact O-N 3.08Å; A755-V759 WeakPolarHBondContact O-CG2 3.49Å
756	F	85.9	Confident	72.5	Confident	15 Å²	15	53.3 Å²	53.3	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-35.7	177	-59.7	-21.7	0	0	0	112.1	I610 H614 F752 Q754 N800 A803	I610-F756 HydrophobicContact CG2-CD1 4.3Å; I610-F756 HydrophobicContact CG2-CE1 4.08Å; H614-F756 AromaticContact CE1-CD1 3.63Å; H614-F756 AromaticContact CE1-CE1 3.72Å; H614-F756 AromaticContact NE2-CD1 3.97Å; H614-F756 AromaticContact NE2-CE1 3.67Å; F752-F756 HydrophobicContact CB-CE2 4.2Å; F752-F756 HydrophobicContact CB-CZ 4.12Å; F752-F756 AromaticContact CD1-CE1 3.86Å; F752-F756 HydrophobicContact CD1-CE1 3.86Å; F752-F756 AromaticContact CD1-CZ 3.65Å; F752-F756 HydrophobicContact CD1-CZ 3.65Å; F752-F756 HydrophobicContact CG-CZ 4.36Å; F752-F756 WeakPolarHBondContact O-CB 3.16Å; F752-F756 WeakPolarHBondContact O-CD1 3.49Å; F752-F756 VanDerWaalsContact O-CD2 3.28Å; F752-F756 WeakPolarHBondContact O-CD2 3.48Å; F752-F756 WeakPolarHBondContact O-CG 3.48Å; F752-F756 PolarHBondContact O-N 3.23Å; Q754-F756 VanDerWaalsContact C-N 3.35Å; Q754-F756 PolarHBondContact O-N 3.45Å; F756-N800 WeakPolarHBondContact O-CB 3.28Å; F756-N800 PolarHBondContact O-ND2 2.7Å; F756-A803 HydrophobicContact CD1-CB 3.77Å; F756-A803 HydrophobicContact CD2-CB 3.87Å; F756-A803 HydrophobicContact CE1-CB 3.79Å; F756-A803 HydrophobicContact CE2-CB 3.87Å; F756-A803 HydrophobicContact CG-CB 3.83Å; F756-A803 HydrophobicContact CZ-CB 3.83Å
757	N	80.4	Confident	69.6	Low	124 Å²	124	57.2 Å²	57.2	66%	0.663	32%	0.319	S	S	*	.	H	α-helix	trans	-75.1	-23.9	177.3	-68.3	-19.1	0	0	0	114	K753 Q754 A755	K753-N757 PolarHBondContact O-N 2.95Å; K753-N757 PolarHBondContact O-ND2 2.95Å; Q754-N757 PolarHBondContact O-N 3.32Å; Q754-N757 VanDerWaalsContact O-N 3.11Å; A755-N757 PolarHBondContact O-N 3.46Å
758	M	71.4	Confident	66.5	Low	94 Å²	94	61.5 Å²	61.5	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-87.5	-10.3	-174.8	-71.6	-179.3	74.7	0	0	114.6	T607 I611 Q754 A755 N760 T761	T607-M758 HydrophobicContact CG2-SD 4.43Å; I611-M758 HydrophobicContact CD1-CB 4.12Å; Q754-M758 HydrophobicContact CG-SD 3.97Å; Q754-M758 WeakPolarHBondContact O-CG 3.27Å; Q754-M758 PolarHBondContact O-N 3.35Å; Q754-M758 VanDerWaalsContact O-N 3.15Å; A755-M758 PolarHBondContact O-N 2.85Å; A755-M758 VanDerWaalsContact O-N 3.08Å; M758-N760 PolarHBondContact O-N 3.4Å; M758-T761 PolarHBondContact O-OG1 2.99Å
759	V	61.1	Low	63.3	Low	1 Å²	1	67.1 Å²	67.1	1%	0.006	39%	0.388	C	S	.	.			trans	-69.8	8.6	-175.4	171.4	0	0	0	0	113.8	I611 H614 A755 T761 N800	I611-V759 HydrophobicContact CB-CG2 4.16Å; I611-V759 HydrophobicContact CG1-CG2 3.74Å; I611-V759 HydrophobicContact CG2-CG2 4.19Å; H614-V759 HydrophobicContact CB-CG1 4.17Å; H614-V759 HydrophobicContact CB-CG2 4.27Å; A755-V759 WeakPolarHBondContact O-CG2 3.49Å; V759-T761 PolarHBondContact O-N 2.96Å; V759-N800 WeakPolarHBondContact CB-ND2 3.41Å; V759-N800 VanDerWaalsContact CB-OD1 3.27Å; V759-N800 WeakPolarHBondContact CB-OD1 3.43Å; V759-N800 VanDerWaalsContact CG1-OD1 3.26Å; V759-N800 WeakPolarHBondContact CG1-OD1 2.92Å
760	N	55.6	Low	60.3	Low	97 Å²	97	69.4 Å²	69.4	52%	0.519	41%	0.412	S	S	.	.			trans	-66.4	12.3	176	-66.4	-20.4	0	0	0	115.1	M758	M758-N760 PolarHBondContact O-N 3.4Å
761	T	53.6	Low	57.1	Low	77 Å²	77	73.2 Å²	73.2	47%	0.472	44%	0.436	S	S	.	.			trans	-116.2	31.1	-166.7	-17.7	0	0	0	0	113.7	M758 V759 N763 S764	M758-T761 PolarHBondContact O-OG1 2.99Å; V759-T761 PolarHBondContact O-N 2.96Å; T761-N763 VanDerWaalsContact C-N 3.31Å; T761-N763 PolarHBondContact O-N 3.44Å; T761-S764 WeakPolarHBondContact CG2-OG 3.32Å; T761-S764 PolarHBondContact O-OG 2.81Å
762	I	53.5	Low	54	Low	9 Å²	9	80.4 Å²	80.4	5%	0.046	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.9	-178.9	-52.3	-165.8	0	0	0	112.2	N615 T618 V791 A796	N615-I762 WeakPolarHBondContact OD1-CG1 3.37Å; T618-I762 HydrophobicContact CG2-CD1 3.8Å; I762-V791 HydrophobicContact CD1-CG1 4.4Å; I762-V791 HydrophobicContact CG2-CB 4.14Å; I762-V791 HydrophobicContact CG2-CG2 4.29Å; I762-A796 HydrophobicContact CD1-CB 3.49Å; I762-A796 VanDerWaalsContact CD1-CB 3.49Å; I762-A796 HydrophobicContact CG1-CB 4.1Å
763	N	47.6	Very low	50.9	Low	58 Å²	58	87.7 Å²	87.7	31%	0.31	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	3.1	-170.1	-67.4	-30.9	0	0	0	114.8	T761 S765 V791 N793	T761-N763 VanDerWaalsContact C-N 3.31Å; T761-N763 PolarHBondContact O-N 3.44Å; N763-S765 PolarHBondContact O-N 3.03Å; N763-V791 PolarHBondContact ND2-O 3.48Å; N763-N793 PolarHBondContact ND2-OD1 3.06Å; N763-N793 VanDerWaalsContact ND2-OD1 3.13Å
764	S	44.1	Very low	47.9	Very low	64 Å²	64	89.2 Å²	89.2	45%	0.448	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-80.9	-11.3	-174.7	60.2	0	0	0	0	115.1	T761 V766	T761-S764 WeakPolarHBondContact CG2-OG 3.32Å; T761-S764 PolarHBondContact O-OG 2.81Å; S764-V766 VanDerWaalsContact C-N 3.25Å; S764-V766 PolarHBondContact O-N 3.5Å
765	S	37.9	Very low	44.9	Very low	96 Å²	96	93.7 Å²	93.7	67%	0.671	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-82	15.3	-176.9	69	0	0	0	0	115.5	N763	N763-S765 PolarHBondContact O-N 3.03Å
766	V	32.5	Very low	42.1	Very low	127 Å²	127	100.3 Å²	100.3	77%	0.77	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-118.8	-5.2	172.7	-174.2	0	0	0	0	113.1	S764	S764-V766 VanDerWaalsContact C-N 3.25Å; S764-V766 PolarHBondContact O-N 3.5Å
767	S	27.9	Very low	39.1	Very low	112 Å²	112	105.2 Å²	105.2	78%	0.783	62%	0.624	S	S	*	*	S	Bend	trans	-102.7	9.5	-173.9	-51.9	0	0	0	0	115.8
768	S	25.2	Very low	36.5	Very low	96 Å²	96	106.4 Å²	106.4	67%	0.671	63%	0.629	S	S	*	*	S	Bend	trans	-141.9	75.1	-179	62.8	0	0	0	0	112.2
769	S	25.1	Very low	34.2	Very low	117 Å²	117	109.1 Å²	109.1	82%	0.818	64%	0.641	S	S	*	*	S	Bend	trans	170.3	78.3	145	-76.2	0	0	0	0	110.3
770	S	27.8	Very low	32.5	Very low	115 Å²	115	115 Å²	115	80%	0.804	68%	0.676	S	S	*	*			trans	-167.7	68.9	147.1	-86.4	0	0	0	0	109.4	N772	S770-N772 PolarHBondContact O-N 3.41Å; S770-N772 VanDerWaalsContact O-N 3.1Å
771	N	25	Very low	31.2	Very low	161 Å²	161	114.9 Å²	114.9	86%	0.861	68%	0.683	S	S	*	*			trans	-62	94.5	136.3	-87.9	-15.4	0	0	0	105.8
772	N	26.5	Very low	30.1	Very low	151 Å²	151	114.3 Å²	114.3	81%	0.807	68%	0.682	S	S	*	*			trans	-162.1	102.9	150.9	-95.7	-19.9	0	0	0	108.5	S770 N774	S770-N772 PolarHBondContact O-N 3.41Å; S770-N772 VanDerWaalsContact O-N 3.1Å; N772-N774 PolarHBondContact O-N 2.7Å
773	N	25.6	Very low	29	Very low	153 Å²	153	118.9 Å²	118.9	82%	0.818	71%	0.706	S	S	*	*			trans	-40.6	119	152.1	-66.5	-31.5	0	0	0	109
774	N	27.1	Very low	27.9	Very low	156 Å²	156	122.8 Å²	122.8	83%	0.834	72%	0.721	S	S	*	*				178	127.7	125.6	-86.8	-20.9	0	0	0	111.3	N772	N772-N774 PolarHBondContact O-N 2.7Å
775	N	24.5	Very low	27.4	Very low	145 Å²	145	122.7 Å²	122.7	78%	0.775	72%	0.721	S	S	*	*			trans	-40.4	131.1	164.1	-60.7	-34.8	0	0	0	112.7
776	N	25.2	Very low	27.6	Very low	138 Å²	138	121.9 Å²	121.9	74%	0.738	71%	0.712	S	S	*	*				164.3	113.8	122.2	-81.3	-17.4	0	0	0	110.8	I778	N776-I778 PolarHBondContact O-N 3.39Å
777	S	24.2	Very low	27.9	Very low	118 Å²	118	121.7 Å²	121.7	83%	0.825	71%	0.706	S	S	*	*			trans	27.6	85.9	143.1	58.6	0	0	0	0	118
778	I	24.9	Very low	28.4	Very low	150 Å²	150	119.8 Å²	119.8	77%	0.769	68%	0.684	S	S	*	*			trans	-135.9	108	157.1	-59.8	-179.6	0	0	0	109.5	N776	N776-I778 PolarHBondContact O-N 3.39Å
779	E	23.3	Very low	29.6	Very low	151 Å²	151	120.1 Å²	120.1	71%	0.706	68%	0.678	S	S	*	*			trans	46.2	114.8	148.5	-60	-176.9	167.6	0	0	120.5	S781 S782	E779-S781 PolarHBondContact O-N 3.39Å; E779-S782 PolarHBondContact O-OG 2.9Å
780	V	26.2	Very low	31.3	Very low	125 Å²	125	120 Å²	120	76%	0.758	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	10.2	178.9	-180	0	0	0	0	113.9	S782	V780-S782 VanDerWaalsContact C-N 3.3Å; V780-S782 PolarHBondContact O-N 3.26Å
781	S	27.5	Very low	33.1	Very low	94 Å²	94	114.7 Å²	114.7	66%	0.657	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-8.2	176.1	49.8	0	0	0	0	114	E779	E779-S781 PolarHBondContact O-N 3.39Å
782	S	30.6	Very low	35.2	Very low	65 Å²	65	109.4 Å²	109.4	46%	0.455	60%	0.602	S	S	.	*	S	Bend	trans	-99.6	-16.8	-174.7	55	0	0	0	0	115.7	E779 V780 S785 T786	E779-S782 PolarHBondContact O-OG 2.9Å; V780-S782 VanDerWaalsContact C-N 3.3Å; V780-S782 PolarHBondContact O-N 3.26Å; S782-S785 PolarHBondContact O-OG 2.81Å; S782-T786 WeakPolarHBondContact O-CG2 3.49Å; S782-T786 PolarHBondContact O-OG1 3.3Å; S782-T786 VanDerWaalsContact O-OG1 3.11Å
783	I	29.9	Very low	37.1	Very low	105 Å²	105	106.7 Å²	106.7	54%	0.538	59%	0.587	S	S	.	*	H	α-helix	trans	-82	-30.7	-178	-57.6	175.3	0	0	0	111.3	T786	I783-T786 PolarHBondContact O-OG1 2.96Å
784	H	25.7	Very low	39.2	Very low	139 Å²	139	103.6 Å²	103.6	64%	0.644	58%	0.577	S	S	*	*	H	α-helix	trans	-76.6	-21.6	-179.6	-107.6	-75	0	0	0	114.1	F788	H784-F788 WeakPolarHBondContact O-CD2 3.1Å
785	S	33.1	Very low	41.3	Very low	62 Å²	62	96.4 Å²	96.4	43%	0.434	54%	0.539	S	S	.	.	H	α-helix	trans	-83.6	-28	175	54	0	0	0	0	113	S782	S782-S785 PolarHBondContact O-OG 2.81Å
786	T	42.8	Very low	43.4	Very low	79 Å²	79	89.6 Å²	89.6	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-84.6	-25	-169.6	47.3	0	0	0	0	114.8	S782 I783	S782-T786 WeakPolarHBondContact O-CG2 3.49Å; S782-T786 PolarHBondContact O-OG1 3.3Å; S782-T786 VanDerWaalsContact O-OG1 3.11Å; I783-T786 PolarHBondContact O-OG1 2.96Å
787	L	36.9	Very low	45.6	Very low	124 Å²	124	86.6 Å²	86.6	65%	0.649	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-30.6	180	-110.6	147.2	0	0	0	113.5
788	F	40.3	Very low	48	Very low	71 Å²	71	83 Å²	83	31%	0.311	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-22.5	178.6	-76.2	-86.5	0	0	0	113.3	W622 L626 H784 L872 L874	W622-F788 PolarHBondContact NE1-O 3.35Å; L626-F788 WeakPolarHBondContact CD1-O 3.3Å; H784-F788 WeakPolarHBondContact O-CD2 3.1Å; F788-L872 HydrophobicContact CZ-CD1 4.36Å; F788-L874 HydrophobicContact CE1-CD1 4.47Å
789	D	49.2	Very low	50.3	Low	104 Å²	104	75.9 Å²	75.9	56%	0.556	42%	0.418	S	S	*	.	S	Bend	trans	-86.2	-5.8	-177.9	-78.8	-13.7	0	0	0	114.4	V791	D789-V791 PolarHBondContact O-N 3.3Å
790	Q	61.9	Low	52.7	Low	115 Å²	115	69.4 Å²	69.4	54%	0.537	39%	0.388	S	S	.	.			trans	-81.2	107.8	178	-69.7	-174.3	8.4	0	0	110.9	P792	Q790-P792 WeakPolarHBondContact O-CD 3.4Å
791	V	65.8	Low	55.2	Low	3 Å²	3	70.4 Å²	70.4	2%	0.018	38%	0.384	C	S	.	.			trans	-64.8	125.8	173.9	-179.9	0	0	0	0	108.8	T618 K619 W622 I762 N763 D789 N793 Y795	T618-V791 HydrophobicContact CG2-CG1 3.93Å; K619-V791 HydrophobicContact CG-CG2 4.41Å; W622-V791 HydrophobicContact CB-CG2 4.14Å; W622-V791 HydrophobicContact CG-CG2 3.91Å; I762-V791 HydrophobicContact CD1-CG1 4.4Å; I762-V791 HydrophobicContact CG2-CB 4.14Å; I762-V791 HydrophobicContact CG2-CG2 4.29Å; N763-V791 PolarHBondContact ND2-O 3.48Å; D789-V791 PolarHBondContact O-N 3.3Å; V791-N793 PolarHBondContact O-N 2.84Å; V791-Y795 HydrophobicContact CG1-CD1 3.56Å; V791-Y795 HydrophobicContact CG1-CE1 4.38Å; V791-Y795 HydrophobicContact CG1-CG 4.21Å
792	P	68.6	Low	57.9	Low	49 Å²	49	69.1 Å²	69.1	32%	0.318	37%	0.368	S	S	.	.			trans	-58.9	136.3	176.7	-25.1	34.2	0	0	0	112.1	W622 Q790 S794 Y795 A796	W622-P792 HydrophobicContact CH2-CG 3.77Å; W622-P792 HydrophobicContact CZ2-CG 4.12Å; W622-P792 HydrophobicContact CZ3-CG 4.3Å; Q790-P792 WeakPolarHBondContact O-CD 3.4Å; P792-S794 PolarHBondContact O-N 3.49Å; P792-Y795 WeakPolarHBondContact O-CA 3.49Å; P792-Y795 VanDerWaalsContact O-CB 3.24Å; P792-Y795 WeakPolarHBondContact O-CB 2.97Å; P792-Y795 PolarHBondContact O-N 2.99Å; P792-A796 PolarHBondContact O-N 3.03Å
793	N	66.6	Low	60.6	Low	95 Å²	95	66.7 Å²	66.7	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-58	-32.9	177.3	-72	-7.2	0	0	0	112.2	N763 V791 Y795 A796 I797	N763-N793 PolarHBondContact ND2-OD1 3.06Å; N763-N793 VanDerWaalsContact ND2-OD1 3.13Å; V791-N793 PolarHBondContact O-N 2.84Å; N793-Y795 VanDerWaalsContact C-N 3.27Å; N793-Y795 PolarHBondContact O-N 3.32Å; N793-A796 WeakPolarHBondContact O-CB 3.49Å; N793-A796 PolarHBondContact O-N 3.06Å; N793-I797 WeakPolarHBondContact O-CD1 3.25Å; N793-I797 VanDerWaalsContact O-CG1 3.24Å; N793-I797 WeakPolarHBondContact O-CG1 3.27Å; N793-I797 PolarHBondContact O-N 3.17Å
794	S	68.7	Low	63.5	Low	87 Å²	87	65 Å²	65	61%	0.608	34%	0.341	S	S	*	.	H	α-helix	trans	-63.2	-32	175.1	55.5	0	0	0	0	113.2	P792 Y798	P792-S794 PolarHBondContact O-N 3.49Å; S794-Y798 WeakPolarHBondContact O-CB 3.39Å; S794-Y798 PolarHBondContact O-N 3.33Å; S794-Y798 VanDerWaalsContact O-N 3.11Å
795	Y	71.7	Confident	66.7	Low	5 Å²	5	59.6 Å²	59.6	2%	0.02	32%	0.316	C	S	.	.	H	α-helix	trans	-68.8	-43.8	174.5	-172.4	-96.5	0	0	0	110.8	T618 W622 V657 I658 M659 P660 V791 P792 N793 Y798 L799	T618-Y795 HydrophobicContact CG2-CD1 3.78Å; T618-Y795 HydrophobicContact CG2-CE1 3.66Å; W622-Y795 HydrophobicContact CE3-CD2 4.24Å; W622-Y795 HydrophobicContact CE3-CE1 4.43Å; W622-Y795 HydrophobicContact CE3-CE2 4.21Å; W622-Y795 HydrophobicContact CE3-CG 4.4Å; W622-Y795 HydrophobicContact CZ3-CD2 4.31Å; V657-Y795 HydrophobicContact CG1-CD2 4.15Å; V657-Y795 HydrophobicContact CG1-CE2 3.71Å; I658-Y795 VanDerWaalsContact O-CE2 3.24Å; I658-Y795 WeakPolarHBondContact O-CE2 3.13Å; I658-Y795 VanDerWaalsContact O-CZ 3.3Å; I658-Y795 PolarHBondContact O-OH 3.5Å; M659-Y795 HydrophobicContact CE-CD2 3.52Å; M659-Y795 HydrophobicContact CE-CE2 3.88Å; M659-Y795 HydrophobicContact CG-CE2 4.35Å; M659-Y795 HydrophobicContact SD-CD2 3.39Å; M659-Y795 WeakPolarHBondContact SD-CD2 3.35Å; M659-Y795 HydrophobicContact SD-CE2 3.34Å; M659-Y795 WeakPolarHBondContact SD-CE2 3.29Å; M659-Y795 HydrophobicContact SD-CG 4.4Å; P660-Y795 WeakPolarHBondContact CD-OH 3.45Å; V791-Y795 HydrophobicContact CG1-CD1 3.56Å; V791-Y795 HydrophobicContact CG1-CE1 4.38Å; V791-Y795 HydrophobicContact CG1-CG 4.21Å; P792-Y795 WeakPolarHBondContact O-CA 3.49Å; P792-Y795 VanDerWaalsContact O-CB 3.24Å; P792-Y795 WeakPolarHBondContact O-CB 2.97Å; P792-Y795 PolarHBondContact O-N 2.99Å; N793-Y795 VanDerWaalsContact C-N 3.27Å; N793-Y795 PolarHBondContact O-N 3.32Å; Y795-Y798 PolarHBondContact O-N 2.98Å; Y795-L799 HydrophobicContact CD1-CD1 3.75Å; Y795-L799 HydrophobicContact CE1-CD1 3.63Å; Y795-L799 WeakPolarHBondContact O-CG 3.36Å; Y795-L799 PolarHBondContact O-N 3.03Å
796	A	68.7	Low	69.5	Low	2 Å²	2	59.7 Å²	59.7	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-44.6	175.1	0	0	0	0	0	112.4	I762 P792 N793 Y798 L799 N800	I762-A796 HydrophobicContact CD1-CB 3.49Å; I762-A796 VanDerWaalsContact CD1-CB 3.49Å; I762-A796 HydrophobicContact CG1-CB 4.1Å; P792-A796 PolarHBondContact O-N 3.03Å; N793-A796 WeakPolarHBondContact O-CB 3.49Å; N793-A796 PolarHBondContact O-N 3.06Å; A796-Y798 PolarHBondContact O-N 3.19Å; A796-L799 WeakPolarHBondContact O-CB 3.09Å; A796-L799 PolarHBondContact O-N 3.05Å; A796-N800 VanDerWaalsContact O-CG 3.24Å; A796-N800 PolarHBondContact O-N 3.43Å; A796-N800 PolarHBondContact O-ND2 2.92Å
797	I	70.8	Confident	71.9	Confident	75 Å²	75	56.6 Å²	56.6	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-45.6	177.9	-67.6	163.1	0	0	0	110.8	N793 L799 N800 E801	N793-I797 WeakPolarHBondContact O-CD1 3.25Å; N793-I797 VanDerWaalsContact O-CG1 3.24Å; N793-I797 WeakPolarHBondContact O-CG1 3.27Å; N793-I797 PolarHBondContact O-N 3.17Å; I797-L799 VanDerWaalsContact C-N 3.29Å; I797-L799 PolarHBondContact O-N 3.04Å; I797-N800 PolarHBondContact O-N 2.87Å; I797-E801 PolarHBondContact O-N 3.13Å; I797-E801 VanDerWaalsContact O-N 3.07Å
798	Y	74	Confident	74.6	Confident	42 Å²	42	51.3 Å²	51.3	17%	0.165	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-44.3	177.6	177.1	-85.9	0	0	0	111.8	M659 S794 Y795 A796 N800 E801 H802 K884	M659-Y798 HydrophobicContact CB-CD1 4.14Å; M659-Y798 HydrophobicContact CB-CE1 3.62Å; M659-Y798 HydrophobicContact CG-CD1 4.29Å; M659-Y798 HydrophobicContact CG-CE1 4.08Å; M659-Y798 HydrophobicContact SD-CD1 3.65Å; M659-Y798 HydrophobicContact SD-CE1 4.06Å; M659-Y798 HydrophobicContact SD-CG 4.1Å; S794-Y798 WeakPolarHBondContact O-CB 3.39Å; S794-Y798 PolarHBondContact O-N 3.33Å; S794-Y798 VanDerWaalsContact O-N 3.11Å; Y795-Y798 PolarHBondContact O-N 2.98Å; A796-Y798 PolarHBondContact O-N 3.19Å; Y798-N800 VanDerWaalsContact C-N 3.31Å; Y798-N800 PolarHBondContact O-N 3.05Å; Y798-E801 PolarHBondContact O-N 3.13Å; Y798-H802 AromaticContact CD1-ND1 3.96Å; Y798-H802 AromaticContact CD2-CE1 3.49Å; Y798-H802 VanDerWaalsContact CD2-CE1 3.49Å; Y798-H802 WeakPolarHBondContact CD2-CE1 3.27Å; Y798-H802 AromaticContact CD2-ND1 3.74Å; Y798-H802 AromaticContact CE1-ND1 3.78Å; Y798-H802 AromaticContact CE2-CE1 3.15Å; Y798-H802 WeakPolarHBondContact CE2-CE1 3.44Å; Y798-H802 AromaticContact CE2-ND1 3.63Å; Y798-H802 AromaticContact CE2-NE2 3.64Å; Y798-H802 AromaticContact CG-ND1 3.93Å; Y798-H802 AromaticContact CZ-CE1 3.49Å; Y798-H802 VanDerWaalsContact CZ-CE1 3.49Å; Y798-H802 AromaticContact CZ-CG 3.99Å; Y798-H802 AromaticContact CZ-ND1 3.64Å; Y798-H802 AromaticContact CZ-NE2 3.7Å; Y798-H802 PolarHBondContact O-N 3.38Å; Y798-H802 PolarHBondContact O-ND1 2.87Å; Y798-K884 HydrophobicContact CE2-CD 4.28Å
799	L	73.8	Confident	77	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-41.9	179.5	-80.1	161.3	0	0	0	113	T618 P660 M662 Y795 A796 I797 H802 A803	T618-L799 HydrophobicContact CG2-CD1 3.54Å; T618-L799 VanDerWaalsContact OG1-CD1 3.29Å; T618-L799 WeakPolarHBondContact OG1-CD1 3.27Å; P660-L799 VanDerWaalsContact C-CD2 3.44Å; P660-L799 HydrophobicContact CB-CD2 3.55Å; P660-L799 HydrophobicContact CG-CD1 4.26Å; P660-L799 HydrophobicContact CG-CD2 3.36Å; P660-L799 HydrophobicContact CG-CG 4.36Å; P660-L799 WeakPolarHBondContact O-CD2 3.46Å; M662-L799 HydrophobicContact CE-CB 4.42Å; M662-L799 HydrophobicContact CE-CD2 4.1Å; Y795-L799 HydrophobicContact CD1-CD1 3.75Å; Y795-L799 HydrophobicContact CE1-CD1 3.63Å; Y795-L799 WeakPolarHBondContact O-CG 3.36Å; Y795-L799 PolarHBondContact O-N 3.03Å; A796-L799 WeakPolarHBondContact O-CB 3.09Å; A796-L799 PolarHBondContact O-N 3.05Å; I797-L799 VanDerWaalsContact C-N 3.29Å; I797-L799 PolarHBondContact O-N 3.04Å; L799-H802 PolarHBondContact O-N 3.01Å; L799-A803 PolarHBondContact O-N 2.8Å; L799-A803 VanDerWaalsContact O-N 3.08Å
800	N	74.3	Confident	78.9	Confident	15 Å²	15	44 Å²	44	8%	0.08	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-42.8	-179.7	-66.3	-19.3	0	0	0	112	F756 V759 A796 I797 Y798 H802 A803	F756-N800 WeakPolarHBondContact O-CB 3.28Å; F756-N800 PolarHBondContact O-ND2 2.7Å; V759-N800 WeakPolarHBondContact CB-ND2 3.41Å; V759-N800 VanDerWaalsContact CB-OD1 3.27Å; V759-N800 WeakPolarHBondContact CB-OD1 3.43Å; V759-N800 VanDerWaalsContact CG1-OD1 3.26Å; V759-N800 WeakPolarHBondContact CG1-OD1 2.92Å; A796-N800 VanDerWaalsContact O-CG 3.24Å; A796-N800 PolarHBondContact O-N 3.43Å; A796-N800 PolarHBondContact O-ND2 2.92Å; I797-N800 PolarHBondContact O-N 2.87Å; Y798-N800 VanDerWaalsContact C-N 3.31Å; Y798-N800 PolarHBondContact O-N 3.05Å; N800-H802 PolarHBondContact O-N 2.97Å; N800-A803 PolarHBondContact O-N 3.35Å
801	E	78.3	Confident	79.9	Confident	146 Å²	146	39.2 Å²	39.2	68%	0.682	21%	0.206	S	C	*	.	H	α-helix	trans	-63.6	-28.8	176.8	-72.1	-176.4	163.2	0	0	112.8	I797 Y798	I797-E801 PolarHBondContact O-N 3.13Å; I797-E801 VanDerWaalsContact O-N 3.07Å; Y798-E801 PolarHBondContact O-N 3.13Å
802	H	83.1	Confident	80.3	Confident	68 Å²	68	40.5 Å²	40.5	32%	0.315	21%	0.212	S	C	.	.	H	α-helix	trans	-97.4	-4.6	-177.9	-66.6	76	0	0	0	113.7	Q661 Y798 L799 N800	Q661-H802 HydrophobicContact CG-CB 4.3Å; Q661-H802 VanDerWaalsContact CG-O 3.31Å; Q661-H802 WeakPolarHBondContact CG-O 3.41Å; Q661-H802 PolarHBondContact NE2-O 3.33Å; Y798-H802 AromaticContact CD1-ND1 3.96Å; Y798-H802 AromaticContact CD2-CE1 3.49Å; Y798-H802 VanDerWaalsContact CD2-CE1 3.49Å; Y798-H802 WeakPolarHBondContact CD2-CE1 3.27Å; Y798-H802 AromaticContact CD2-ND1 3.74Å; Y798-H802 AromaticContact CE1-ND1 3.78Å; Y798-H802 AromaticContact CE2-CE1 3.15Å; Y798-H802 WeakPolarHBondContact CE2-CE1 3.44Å; Y798-H802 AromaticContact CE2-ND1 3.63Å; Y798-H802 AromaticContact CE2-NE2 3.64Å; Y798-H802 AromaticContact CG-ND1 3.93Å; Y798-H802 AromaticContact CZ-CE1 3.49Å; Y798-H802 VanDerWaalsContact CZ-CE1 3.49Å; Y798-H802 AromaticContact CZ-CG 3.99Å; Y798-H802 AromaticContact CZ-ND1 3.64Å; Y798-H802 AromaticContact CZ-NE2 3.7Å; Y798-H802 PolarHBondContact O-N 3.38Å; Y798-H802 PolarHBondContact O-ND1 2.87Å; L799-H802 PolarHBondContact O-N 3.01Å; N800-H802 PolarHBondContact O-N 2.97Å
803	A	87.3	Confident	80.5	Confident	13 Å²	13	42.1 Å²	42.1	11%	0.107	21%	0.213	C	C	.	.			trans	-66.8	133.1	176.7	0	0	0	0	0	111	M662 F756 L799 N800	M662-A803 WeakPolarHBondContact O-CA 3.43Å; F756-A803 HydrophobicContact CD1-CB 3.77Å; F756-A803 HydrophobicContact CD2-CB 3.87Å; F756-A803 HydrophobicContact CE1-CB 3.79Å; F756-A803 HydrophobicContact CE2-CB 3.87Å; F756-A803 HydrophobicContact CG-CB 3.83Å; F756-A803 HydrophobicContact CZ-CB 3.83Å; L799-A803 PolarHBondContact O-N 2.8Å; L799-A803 VanDerWaalsContact O-N 3.08Å; N800-A803 PolarHBondContact O-N 3.35Å
804	Q	91.1	Very high	80.8	Confident	70 Å²	70	38.7 Å²	38.7	33%	0.327	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.5	-177.8	-63.4	-174.9	5.2	0	0	111.3	Q661 M662 I663 W664 H806	Q661-Q804 VanDerWaalsContact NE2-NE2 3.2Å; M662-Q804 PolarHBondContact O-N 3.35Å; I663-Q804 HydrophobicContact CG1-CB 4.29Å; I663-Q804 HydrophobicContact CG2-CB 4.25Å; W664-Q804 PolarHBondContact N-O 2.88Å; Q804-H806 PolarHBondContact OE1-NE2 3.31Å
805	Y	93.2	Very high	81.3	Confident	25 Å²	25	34.8 Å²	34.8	10%	0.098	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.6	173.1	171.3	-91.6	0	0	0	108.9	W664 C666 E703 L748 K749 F752 R807 F893	W664-Y805 HydrophobicContact CB-CD2 4.47Å; W664-Y805 CarbonylContact O-C 3.6Å; W664-Y805 WeakPolarHBondContact O-CA 3.39Å; C666-Y805 HydrophobicContact CB-CE2 3.87Å; E703-Y805 WeakPolarHBondContact OE1-CE1 3.12Å; L748-Y805 HydrophobicContact CD2-CE2 4.29Å; L748-Y805 VanDerWaalsContact CD2-OH 3.27Å; L748-Y805 WeakPolarHBondContact CD2-OH 3.3Å; L748-Y805 HydrophobicContact CG-CE2 4.24Å; K749-Y805 HydrophobicContact CB-CD1 4.28Å; K749-Y805 HydrophobicContact CB-CE1 4.05Å; K749-Y805 HydrophobicContact CG-CD1 4.08Å; K749-Y805 HydrophobicContact CG-CE1 4.3Å; F752-Y805 HydrophobicContact CB-CD2 4.09Å; F752-Y805 HydrophobicContact CB-CG 4.22Å; F752-Y805 AromaticContact CD1-CD2 3.91Å; F752-Y805 HydrophobicContact CD1-CD2 3.91Å; F752-Y805 AromaticContact CD2-CD2 3.37Å; F752-Y805 HydrophobicContact CD2-CD2 3.37Å; F752-Y805 AromaticContact CD2-CE2 3.43Å; F752-Y805 HydrophobicContact CD2-CE2 3.43Å; F752-Y805 VanDerWaalsContact CD2-CE2 3.43Å; F752-Y805 HydrophobicContact CD2-CG 4.26Å; F752-Y805 HydrophobicContact CE1-CD2 4.18Å; F752-Y805 AromaticContact CE2-CD2 3.68Å; F752-Y805 HydrophobicContact CE2-CD2 3.68Å; F752-Y805 AromaticContact CE2-CE2 3.5Å; F752-Y805 HydrophobicContact CE2-CE2 3.5Å; F752-Y805 VanDerWaalsContact CE2-CE2 3.5Å; F752-Y805 AromaticContact CG-CD2 3.5Å; F752-Y805 HydrophobicContact CG-CD2 3.5Å; F752-Y805 VanDerWaalsContact CG-CD2 3.5Å; F752-Y805 HydrophobicContact CG-CE2 4.08Å; F752-Y805 HydrophobicContact CG-CG 4.13Å; F752-Y805 HydrophobicContact CZ-CD2 4.07Å; F752-Y805 HydrophobicContact CZ-CE2 4.18Å; Y805-R807 VanDerWaalsContact OH-CD 3.29Å; Y805-R807 WeakPolarHBondContact OH-CD 3.38Å; Y805-F893 HydrophobicContact CE2-CZ 4.01Å
806	H	93.4	Very high	81.7	Confident	65 Å²	65	34.6 Å²	34.6	30%	0.301	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.9	175.8	-63.2	-82	0	0	0	110.3	W664 I665 C666 Q804	W664-H806 PolarHBondContact O-N 3.41Å; I665-H806 CarbonylContact C-O 3.6Å; I665-H806 WeakPolarHBondContact CA-O 3.41Å; C666-H806 PolarHBondContact N-O 3.48Å; Q804-H806 PolarHBondContact OE1-NE2 3.31Å
807	R	93	Very high	82.3	Confident	14 Å²	14	35.5 Å²	35.5	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119	174.5	-166	95.8	-172.2	-139.5	-1.6	109.4	R668 D670 G699 L702 E703 E706 Y805	R668-R807 PolarHBondContact O-NE 2.98Å; R668-R807 PolarHBondContact O-NH2 3.35Å; D670-R807 PolarHBondContact O-NH2 2.77Å; G699-R807 WeakPolarHBondContact CA-O 3.46Å; L702-R807 HydrophobicContact CD2-CG 4.34Å; E703-R807 HydrophobicContact CG-CB 4.06Å; E703-R807 HydrophobicContact CG-CG 4.47Å; E703-R807 WeakPolarHBondContact OE1-CB 3.35Å; E706-R807 IonicContact OE1-NH1 3.83Å; E706-R807 IonicContact OE2-CZ 3.7Å; E706-R807 IonicContact OE2-NH1 3.87Å; E706-R807 PolarHBondContact OE2-NH1 2.73Å; E706-R807 IonicContact OE2-NH2 2.7Å; Y805-R807 VanDerWaalsContact OH-CD 3.29Å; Y805-R807 WeakPolarHBondContact OH-CD 3.38Å
808	V	93	Very high	83	Confident	12 Å²	12	32 Å²	32	7%	0.073	16%	0.159	C	C	.	.			trans	-128.3	86.1	176.4	-176.5	0	0	0	0	108	I665 C666 L667 L810 I820 D823	I665-V808 HydrophobicContact CG2-CB 4.18Å; I665-V808 HydrophobicContact CG2-CG2 3.93Å; C666-V808 PolarHBondContact O-N 3.06Å; L667-V808 VanDerWaalsContact CA-O 3.31Å; L667-V808 WeakPolarHBondContact CA-O 3.29Å; L667-V808 HydrophobicContact CD2-CB 4.49Å; V808-L810 PolarHBondContact O-N 2.95Å; V808-I820 HydrophobicContact CG1-CB 4.39Å; V808-I820 HydrophobicContact CG1-CG1 4.38Å; V808-I820 HydrophobicContact CG1-CG2 3.79Å; V808-D823 HydrophobicContact CG1-CB 4.24Å; V808-D823 HydrophobicContact CG2-CB 4.42Å
809	P	90.2	Very high	83.6	Confident	22 Å²	22	31.7 Å²	31.7	14%	0.143	16%	0.162	C	C	.	.			trans	-64.7	123.9	-171.6	25.2	-32	0	0	0	111.1	D669 A697 L702 I820	D669-P809 HydrophobicContact CB-CB 4.06Å; A697-P809 VanDerWaalsContact O-CG 3.26Å; A697-P809 WeakPolarHBondContact O-CG 3.47Å; L702-P809 HydrophobicContact CD2-CB 4.32Å; P809-I820 WeakPolarHBondContact O-CD1 3.07Å
810	L	89	Confident	84.3	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.164	C	C	.	.			trans	-122	128.1	178.9	-179	71	0	0	0	108.9	L667 V808 P816 I820 R900 L903	L667-L810 HydrophobicContact CB-CB 4.33Å; L667-L810 PolarHBondContact O-N 3.42Å; V808-L810 PolarHBondContact O-N 2.95Å; L810-P816 HydrophobicContact CD1-CB 4.11Å; L810-I820 HydrophobicContact CB-CD1 4.28Å; L810-I820 HydrophobicContact CD1-CD1 3.58Å; L810-I820 HydrophobicContact CD1-CG2 4.22Å; L810-R900 HydrophobicContact CD2-CB 3.81Å; L810-R900 HydrophobicContact CD2-CG 4.31Å; L810-R900 WeakPolarHBondContact CD2-O 3.47Å; L810-R900 HydrophobicContact CG-CB 4.46Å; L810-R900 HydrophobicContact CG-CG 4.47Å; L810-R900 WeakPolarHBondContact O-CD 3.33Å; L810-R900 PolarHBondContact O-NH1 2.73Å; L810-L903 HydrophobicContact CD1-CD2 4.07Å; L810-L903 HydrophobicContact CD2-CB 4.23Å; L810-L903 HydrophobicContact CD2-CD2 4.05Å; L810-L903 HydrophobicContact CD2-CG 4.35Å
811	P	82.4	Confident	85.2	Confident	14 Å²	14	31.3 Å²	31.3	9%	0.091	16%	0.16	C	C	.	.			trans	-64.6	147.3	-179.7	25.2	-34.6	0	0	0	112.6	D669 Y813 R1013	D669-P811 WeakPolarHBondContact OD2-CA 3.45Å; P811-Y813 PolarHBondContact O-N 3.47Å; P811-R1013 PolarHBondContact O-NH2 2.88Å
812	N	75.4	Confident	85.9	Confident	30 Å²	30	25 Å²	25	16%	0.16	13%	0.131	C	C	.	.	S	Bend	trans	-59.3	-45.4	177.1	-100.5	-17.1	0	0	0	112.5	R900 R1013	N812-R900 PolarHBondContact ND2-NH2 3.31Å; N812-R900 VanDerWaalsContact ND2-NH2 3.14Å; N812-R900 PolarHBondContact OD1-NE 3.49Å; N812-R900 PolarHBondContact OD1-NH2 2.94Å; N812-R1013 VanDerWaalsContact O-CZ 3.3Å; N812-R1013 PolarHBondContact O-NH1 3Å; N812-R1013 VanDerWaalsContact O-NH1 3.1Å; N812-R1013 PolarHBondContact O-NH2 3.32Å
813	Y	72.8	Confident	86.4	Confident	83 Å²	83	25 Å²	25	33%	0.325	13%	0.133	S	C	.	.	S	Bend	trans	-136.1	159.9	178.3	-53.6	-63	0	0	0	109.5	P811 E899 R1006	P811-Y813 PolarHBondContact O-N 3.47Å; Y813-E899 HydrophobicContact CE1-CG 4.45Å; Y813-R1006 HydrophobicContact CD1-CG 3.63Å; Y813-R1006 VanDerWaalsContact CE1-CD 3.5Å; Y813-R1006 HydrophobicContact CE1-CG 3.72Å; Y813-R1006 HydrophobicContact CG-CG 4.23Å
814	G	72.8	Confident	86.7	Confident	22 Å²	22	24.5 Å²	24.5	23%	0.227	13%	0.129	C	C	.	.	S	Bend	trans	99.7	-178.1	-175.6	0	0	0	0	0	114	R1013	G814-R1013 PolarHBondContact O-NE 3.22Å
815	H	78.3	Confident	86.8	Confident	5 Å²	5	21.5 Å²	21.5	2%	0.023	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-60.6	143.4	175.6	66.2	5	0	0	0	111.4	Q545 P817 F1016 W1074	Q545-H815 WeakPolarHBondContact CG-NE2 3.42Å; H815-P817 WeakPolarHBondContact O-CD 3.36Å; H815-F1016 HydrophobicContact CB-CD2 4.39Å; H815-F1016 HydrophobicContact CB-CE2 3.96Å; H815-W1074 HydrophobicContact CB-CZ2 4.38Å; H815-W1074 AromaticContact CD2-CD2 3.31Å; H815-W1074 AromaticContact CD2-CE2 3.23Å; H815-W1074 AromaticContact CD2-CE3 3.5Å; H815-W1074 AromaticContact CD2-CG 3.97Å; H815-W1074 AromaticContact CD2-CH2 3.64Å; H815-W1074 AromaticContact CD2-CZ2 3.43Å; H815-W1074 VanDerWaalsContact CD2-CZ2 3.43Å; H815-W1074 WeakPolarHBondContact CD2-CZ2 3.32Å; H815-W1074 AromaticContact CD2-CZ3 3.67Å; H815-W1074 AromaticContact CD2-NE1 3.74Å; H815-W1074 AromaticContact NE2-CD2 3.61Å; H815-W1074 AromaticContact NE2-CE3 3.54Å; H815-W1074 AromaticContact NE2-CZ3 3.96Å
816	P	81.3	Confident	86.8	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-78	124.3	167.8	27.8	-28.8	0	0	0	110.4	L810 F821 L903 F1016	L810-P816 HydrophobicContact CD1-CB 4.11Å; P816-F821 HydrophobicContact CB-CE2 3.7Å; P816-F821 HydrophobicContact CB-CZ 3.95Å; P816-F821 HydrophobicContact CG-CE2 3.6Å; P816-F821 HydrophobicContact CG-CZ 3.53Å; P816-L903 HydrophobicContact CB-CD2 4.16Å; P816-L903 HydrophobicContact CG-CD2 4.41Å; P816-F1016 HydrophobicContact CG-CB 4.04Å; P816-F1016 HydrophobicContact CG-CG 4.41Å
817	P	80.7	Confident	86.8	Confident	21 Å²	21	25.6 Å²	25.6	14%	0.136	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-53.7	132	172	-27.1	30.5	0	0	0	112.3	H815 P819 I820	H815-P817 WeakPolarHBondContact O-CD 3.36Å; P817-P819 VanDerWaalsContact C-N 3.31Å; P817-I820 HydrophobicContact CB-CD1 4.05Å; P817-I820 HydrophobicContact CB-CG1 4.24Å; P817-I820 HydrophobicContact CG-CD1 3.89Å; P817-I820 WeakPolarHBondContact O-CB 3.37Å; P817-I820 PolarHBondContact O-N 2.9Å
818	P	85.6	Confident	86.7	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-50	-40.1	176.9	-26.9	34.1	0	0	0	115	Q545 I820 F821 D822 F1036 E1037 I1040	Q545-P818 VanDerWaalsContact CD-CD 3.48Å; Q545-P818 VanDerWaalsContact NE2-CG 3.29Å; P818-I820 PolarHBondContact O-N 3.49Å; P818-F821 WeakPolarHBondContact O-CB 3.14Å; P818-F821 PolarHBondContact O-N 3.28Å; P818-D822 PolarHBondContact O-N 2.88Å; P818-F1036 HydrophobicContact CB-CD1 4.02Å; P818-F1036 HydrophobicContact CB-CE1 4.47Å; P818-E1037 HydrophobicContact CB-CB 3.87Å; P818-E1037 HydrophobicContact CB-CG 4.22Å; P818-I1040 HydrophobicContact CB-CD1 4.3Å; P818-I1040 HydrophobicContact CG-CD1 4.05Å
819	P	86.6	Confident	86.6	Confident	35 Å²	35	27 Å²	27	23%	0.227	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-25.7	178.5	-28.3	36.6	0	0	0	114.5	P817 D822 D823	P817-P819 VanDerWaalsContact C-N 3.31Å; P819-D822 WeakPolarHBondContact O-CB 3.4Å; P819-D822 PolarHBondContact O-N 2.92Å; P819-D823 WeakPolarHBondContact O-CB 2.96Å; P819-D823 VanDerWaalsContact O-CG 3.31Å; P819-D823 PolarHBondContact O-N 3.16Å
820	I	89.3	Confident	86.7	Confident	8 Å²	8	32 Å²	32	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-40.5	178.1	-63.8	173.1	0	0	0	111.1	V808 P809 L810 P817 P818 D822 D823 I824	V808-I820 HydrophobicContact CG1-CB 4.39Å; V808-I820 HydrophobicContact CG1-CG1 4.38Å; V808-I820 HydrophobicContact CG1-CG2 3.79Å; P809-I820 WeakPolarHBondContact O-CD1 3.07Å; L810-I820 HydrophobicContact CB-CD1 4.28Å; L810-I820 HydrophobicContact CD1-CD1 3.58Å; L810-I820 HydrophobicContact CD1-CG2 4.22Å; P817-I820 HydrophobicContact CB-CD1 4.05Å; P817-I820 HydrophobicContact CB-CG1 4.24Å; P817-I820 HydrophobicContact CG-CD1 3.89Å; P817-I820 WeakPolarHBondContact O-CB 3.37Å; P817-I820 PolarHBondContact O-N 2.9Å; P818-I820 PolarHBondContact O-N 3.49Å; I820-D822 VanDerWaalsContact C-N 3.25Å; I820-D822 PolarHBondContact O-N 2.88Å; I820-D823 PolarHBondContact O-N 3.44Å; I820-I824 HydrophobicContact CG2-CD1 3.98Å; I820-I824 WeakPolarHBondContact O-CG1 2.84Å; I820-I824 PolarHBondContact O-N 2.89Å
821	F	93.3	Very high	86.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-40.5	175.8	-66	-90.5	0	0	0	110.4	P816 P818 L825 I907 F1016 F1020 F1036	P816-F821 HydrophobicContact CB-CE2 3.7Å; P816-F821 HydrophobicContact CB-CZ 3.95Å; P816-F821 HydrophobicContact CG-CE2 3.6Å; P816-F821 HydrophobicContact CG-CZ 3.53Å; P818-F821 WeakPolarHBondContact O-CB 3.14Å; P818-F821 PolarHBondContact O-N 3.28Å; F821-L825 WeakPolarHBondContact O-CB 3.49Å; F821-L825 PolarHBondContact O-N 2.65Å; F821-I907 HydrophobicContact CD1-CD1 3.69Å; F821-I907 HydrophobicContact CD1-CG1 3.84Å; F821-I907 HydrophobicContact CD1-CG2 3.98Å; F821-I907 HydrophobicContact CE1-CD1 3.49Å; F821-I907 VanDerWaalsContact CE1-CD1 3.49Å; F821-I907 HydrophobicContact CE1-CG1 3.63Å; F821-I907 HydrophobicContact CG-CD1 4.46Å; F821-I907 HydrophobicContact CZ-CD1 4.12Å; F821-F1016 HydrophobicContact CZ-CB 4.22Å; F821-F1020 HydrophobicContact CB-CD2 3.83Å; F821-F1020 HydrophobicContact CB-CE2 3.62Å; F821-F1020 HydrophobicContact CB-CZ 4.14Å; F821-F1020 HydrophobicContact CD1-CB 3.91Å; F821-F1020 AromaticContact CD1-CD1 3.66Å; F821-F1020 HydrophobicContact CD1-CD1 3.66Å; F821-F1020 AromaticContact CD1-CD2 3.56Å; F821-F1020 HydrophobicContact CD1-CD2 3.56Å; F821-F1020 HydrophobicContact CD1-CE1 4Å; F821-F1020 AromaticContact CD1-CE2 3.95Å; F821-F1020 HydrophobicContact CD1-CE2 3.95Å; F821-F1020 AromaticContact CD1-CG 3.4Å; F821-F1020 HydrophobicContact CD1-CG 3.4Å; F821-F1020 VanDerWaalsContact CD1-CG 3.4Å; F821-F1020 HydrophobicContact CD1-CZ 4.14Å; F821-F1020 HydrophobicContact CE1-CB 3.83Å; F821-F1020 HydrophobicContact CE1-CD1 4.08Å; F821-F1020 HydrophobicContact CE1-CD2 4.35Å; F821-F1020 AromaticContact CE1-CG 3.83Å; F821-F1020 HydrophobicContact CE1-CG 3.83Å; F821-F1020 AromaticContact CG-CD2 3.92Å; F821-F1020 HydrophobicContact CG-CD2 3.92Å; F821-F1020 HydrophobicContact CG-CE2 4.17Å; F821-F1020 HydrophobicContact CG-CG 4.22Å; F821-F1036 HydrophobicContact CB-CB 4.39Å; F821-F1036 HydrophobicContact CB-CD1 3.72Å; F821-F1036 HydrophobicContact CB-CE1 4.34Å; F821-F1036 HydrophobicContact CB-CG 4.34Å; F821-F1036 HydrophobicContact CD1-CE1 4.41Å; F821-F1036 AromaticContact CD2-CD1 3.67Å; F821-F1036 HydrophobicContact CD2-CD1 3.67Å; F821-F1036 AromaticContact CD2-CE1 3.58Å; F821-F1036 HydrophobicContact CD2-CE1 3.58Å; F821-F1036 HydrophobicContact CE2-CD1 4.38Å; F821-F1036 AromaticContact CE2-CE1 3.82Å; F821-F1036 HydrophobicContact CE2-CE1 3.82Å; F821-F1036 AromaticContact CG-CD1 3.76Å; F821-F1036 HydrophobicContact CG-CD1 3.76Å; F821-F1036 AromaticContact CG-CE1 3.88Å; F821-F1036 HydrophobicContact CG-CE1 3.88Å; F821-F1036 HydrophobicContact CZ-CE1 4.35Å
822	D	92.8	Very high	86.9	Confident	15 Å²	15	33.4 Å²	33.4	8%	0.08	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-40.8	177.1	-70.6	-51.7	0	0	0	112.9	P818 P819 I820 L825 R826 S1035 F1036 E1037	P818-D822 PolarHBondContact O-N 2.88Å; P819-D822 WeakPolarHBondContact O-CB 3.4Å; P819-D822 PolarHBondContact O-N 2.92Å; I820-D822 VanDerWaalsContact C-N 3.25Å; I820-D822 PolarHBondContact O-N 2.88Å; D822-L825 PolarHBondContact O-N 3.41Å; D822-R826 VanDerWaalsContact O-CB 3.27Å; D822-R826 WeakPolarHBondContact O-CB 3.35Å; D822-R826 PolarHBondContact O-N 3.38Å; D822-S1035 VanDerWaalsContact OD1-CA 3.28Å; D822-S1035 WeakPolarHBondContact OD1-CA 3.35Å; D822-S1035 VanDerWaalsContact OD1-CB 3.31Å; D822-S1035 WeakPolarHBondContact OD1-CB 3.05Å; D822-S1035 WeakPolarHBondContact OD2-CB 3.41Å; D822-F1036 PolarHBondContact OD1-N 2.82Å; D822-F1036 PolarHBondContact OD2-N 3.01Å; D822-E1037 PolarHBondContact OD2-N 2.85Å
823	D	92.5	Very high	87.3	Confident	68 Å²	68	42.9 Å²	42.9	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-46.3	176.9	-75.6	-22.9	0	0	0	111.3	V808 P819 I820 R826 L827	V808-D823 HydrophobicContact CG1-CB 4.24Å; V808-D823 HydrophobicContact CG2-CB 4.42Å; P819-D823 WeakPolarHBondContact O-CB 2.96Å; P819-D823 VanDerWaalsContact O-CG 3.31Å; P819-D823 PolarHBondContact O-N 3.16Å; I820-D823 PolarHBondContact O-N 3.44Å; D823-R826 PolarHBondContact O-N 2.86Å; D823-L827 WeakPolarHBondContact O-CB 3.15Å; D823-L827 PolarHBondContact O-N 2.87Å
824	I	93.9	Very high	87.9	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-44.2	176.5	-63.4	172.2	0	0	0	110.2	I820 R826 L827 M828 F892 A904 I907 A908 I911	I820-I824 HydrophobicContact CG2-CD1 3.98Å; I820-I824 WeakPolarHBondContact O-CG1 2.84Å; I820-I824 PolarHBondContact O-N 2.89Å; I824-R826 PolarHBondContact O-N 3.06Å; I824-L827 PolarHBondContact O-N 3.36Å; I824-M828 HydrophobicContact CG2-CG 4.4Å; I824-M828 HydrophobicContact CG2-SD 4.27Å; I824-M828 VanDerWaalsContact O-CG 3.32Å; I824-M828 WeakPolarHBondContact O-CG 3.42Å; I824-M828 PolarHBondContact O-N 2.88Å; I824-F892 HydrophobicContact CD1-CE1 4.29Å; I824-F892 HydrophobicContact CG1-CE1 4.36Å; I824-F892 HydrophobicContact CG2-CE1 4.5Å; I824-F892 HydrophobicContact CG2-CZ 4.2Å; I824-A904 HydrophobicContact CD1-CB 4.24Å; I824-I907 HydrophobicContact CB-CG2 4.19Å; I824-I907 HydrophobicContact CD1-CB 4.37Å; I824-I907 HydrophobicContact CD1-CD1 4.29Å; I824-I907 HydrophobicContact CD1-CG2 4.06Å; I824-I907 HydrophobicContact CG2-CG2 3.97Å; I824-A908 HydrophobicContact CG2-CB 4.31Å; I824-I911 HydrophobicContact CB-CD1 4.49Å; I824-I911 HydrophobicContact CG2-CD1 3.84Å
825	L	94.5	Very high	88.5	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-50.2	176.1	177.3	62.8	0	0	0	111.4	F821 D822 L827 M828 L829 I911 Y1023 L1024 W1032	F821-L825 WeakPolarHBondContact O-CB 3.49Å; F821-L825 PolarHBondContact O-N 2.65Å; D822-L825 PolarHBondContact O-N 3.41Å; L825-L827 VanDerWaalsContact C-N 3.34Å; L825-L827 PolarHBondContact O-N 2.91Å; L825-M828 PolarHBondContact O-N 2.95Å; L825-L829 HydrophobicContact CD1-CD1 3.9Å; L825-L829 HydrophobicContact CD1-CG 3.99Å; L825-L829 HydrophobicContact CG-CD1 3.83Å; L825-L829 HydrophobicContact CG-CG 4.31Å; L825-L829 WeakPolarHBondContact O-CB 3.49Å; L825-L829 VanDerWaalsContact O-CG 3.24Å; L825-L829 WeakPolarHBondContact O-CG 3.42Å; L825-L829 PolarHBondContact O-N 3.18Å; L825-I911 HydrophobicContact CB-CD1 4.08Å; L825-I911 HydrophobicContact CD1-CD1 4.28Å; L825-I911 HydrophobicContact CD1-CG1 4.04Å; L825-I911 HydrophobicContact CD1-CG2 3.78Å; L825-Y1023 HydrophobicContact CD2-CE1 3.82Å; L825-Y1023 WeakPolarHBondContact CD2-OH 3.3Å; L825-L1024 HydrophobicContact CD1-CD2 4.23Å; L825-W1032 HydrophobicContact CD1-CG 4.46Å; L825-W1032 HydrophobicContact CD2-CB 4.12Å; L825-W1032 HydrophobicContact CD2-CG 4.23Å
826	R	92.8	Very high	88.7	Confident	153 Å²	153	41.5 Å²	41.5	58%	0.577	20%	0.201	S	C	*	.	H	α-helix	trans	-61.9	-42.6	178.6	-172	-179.5	-65.4	157.9	1.9	111.6	D822 D823 I824 M828 L829 N830	D822-R826 VanDerWaalsContact O-CB 3.27Å; D822-R826 WeakPolarHBondContact O-CB 3.35Å; D822-R826 PolarHBondContact O-N 3.38Å; D823-R826 PolarHBondContact O-N 2.86Å; I824-R826 PolarHBondContact O-N 3.06Å; R826-M828 VanDerWaalsContact C-N 3.31Å; R826-M828 PolarHBondContact O-N 3.12Å; R826-L829 PolarHBondContact O-N 2.64Å; R826-N830 WeakPolarHBondContact O-CB 3.38Å; R826-N830 PolarHBondContact O-N 3.02Å; R826-N830 PolarHBondContact O-ND2 2.81Å
827	L	91.9	Very high	88.6	Confident	22 Å²	22	42.5 Å²	42.5	12%	0.115	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-43.7	176.3	-169.5	92.5	0	0	0	111.3	I663 I665 D823 I824 L825 N831 L890	I663-L827 HydrophobicContact CG2-CD1 4.3Å; I663-L827 HydrophobicContact CG2-CD2 4.2Å; I665-L827 HydrophobicContact CD1-CD2 3.23Å; I665-L827 HydrophobicContact CG1-CD2 3.81Å; D823-L827 WeakPolarHBondContact O-CB 3.15Å; D823-L827 PolarHBondContact O-N 2.87Å; I824-L827 PolarHBondContact O-N 3.36Å; L825-L827 VanDerWaalsContact C-N 3.34Å; L825-L827 PolarHBondContact O-N 2.91Å; L827-N831 PolarHBondContact O-N 3.04Å; L827-N831 PolarHBondContact O-ND2 2.96Å; L827-L890 HydrophobicContact CD2-CD2 4.08Å
828	M	92.5	Very high	88.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.3	-42.1	179.2	-70	-165.9	71.5	0	0	112.8	I599 I824 L825 R826 N830 N831 A832 L835 L890 A908 I911 H912	I599-M828 HydrophobicContact CD1-CE 4.31Å; I824-M828 HydrophobicContact CG2-CG 4.4Å; I824-M828 HydrophobicContact CG2-SD 4.27Å; I824-M828 VanDerWaalsContact O-CG 3.32Å; I824-M828 WeakPolarHBondContact O-CG 3.42Å; I824-M828 PolarHBondContact O-N 2.88Å; L825-M828 PolarHBondContact O-N 2.95Å; R826-M828 VanDerWaalsContact C-N 3.31Å; R826-M828 PolarHBondContact O-N 3.12Å; M828-N830 VanDerWaalsContact C-N 3.34Å; M828-N830 PolarHBondContact O-N 3.05Å; M828-N831 CarbonylContact O-C 3.43Å; M828-N831 PolarHBondContact O-N 2.83Å; M828-N831 VanDerWaalsContact O-N 3.11Å; M828-A832 WeakPolarHBondContact O-CA 3.49Å; M828-A832 PolarHBondContact O-N 2.92Å; M828-L835 HydrophobicContact CB-CD1 4.16Å; M828-L835 HydrophobicContact CE-CD1 3.83Å; M828-L835 HydrophobicContact CG-CD1 4.34Å; M828-L890 HydrophobicContact CE-CD1 4.19Å; M828-L890 HydrophobicContact CG-CD1 3.75Å; M828-L890 HydrophobicContact SD-CD1 4.24Å; M828-A908 HydrophobicContact CE-CB 4.39Å; M828-A908 VanDerWaalsContact CE-O 3.27Å; M828-A908 WeakPolarHBondContact CE-O 3.45Å; M828-A908 WeakPolarHBondContact SD-CA 3.17Å; M828-A908 HydrophobicContact SD-CB 3.61Å; M828-A908 VanDerWaalsContact SD-O 3.41Å; M828-I911 HydrophobicContact CB-CG2 3.84Å; M828-I911 HydrophobicContact CE-CB 4.25Å; M828-I911 HydrophobicContact CE-CG2 4.14Å; M828-I911 HydrophobicContact CG-CG2 4.38Å; M828-I911 HydrophobicContact SD-CB 3.67Å; M828-I911 HydrophobicContact SD-CD1 3.9Å; M828-I911 HydrophobicContact SD-CG1 4.42Å; M828-I911 HydrophobicContact SD-CG2 3.74Å; M828-H912 HydrophobicContact CE-CB 3.95Å
829	L	91.1	Very high	88.4	Confident	57 Å²	57	41.8 Å²	41.8	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-43.2	177	-71.8	175.2	0	0	0	111.6	L825 R826 N831 A832 L915 W1032	L825-L829 HydrophobicContact CD1-CD1 3.9Å; L825-L829 HydrophobicContact CD1-CG 3.99Å; L825-L829 HydrophobicContact CG-CD1 3.83Å; L825-L829 HydrophobicContact CG-CG 4.31Å; L825-L829 WeakPolarHBondContact O-CB 3.49Å; L825-L829 VanDerWaalsContact O-CG 3.24Å; L825-L829 WeakPolarHBondContact O-CG 3.42Å; L825-L829 PolarHBondContact O-N 3.18Å; R826-L829 PolarHBondContact O-N 2.64Å; L829-N831 PolarHBondContact O-N 2.79Å; L829-A832 WeakPolarHBondContact O-CB 3.47Å; L829-A832 PolarHBondContact O-N 3.27Å; L829-L915 HydrophobicContact CD2-CD2 3.7Å; L829-W1032 HydrophobicContact CD1-CB 4.36Å; L829-W1032 HydrophobicContact CD1-CE3 4.3Å; L829-W1032 HydrophobicContact CD2-CE3 3.68Å; L829-W1032 HydrophobicContact CD2-CZ3 3.78Å
830	N	91	Very high	87.8	Confident	125 Å²	125	44.5 Å²	44.5	67%	0.668	22%	0.216	S	C	*	.	H	α-helix	trans	-63	-26.1	177.1	-71.7	-14	0	0	0	112.7	R826 M828	R826-N830 WeakPolarHBondContact O-CB 3.38Å; R826-N830 PolarHBondContact O-N 3.02Å; R826-N830 PolarHBondContact O-ND2 2.81Å; M828-N830 VanDerWaalsContact C-N 3.34Å; M828-N830 PolarHBondContact O-N 3.05Å
831	N	90.2	Very high	86.9	Confident	23 Å²	23	44.7 Å²	44.7	12%	0.123	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	12.3	-178	-66.3	-72.4	0	0	0	113.7	I663 L827 M828 L829 R833 G834 L835 T888	I663-N831 HydrophobicContact CD1-CB 4.45Å; I663-N831 WeakPolarHBondContact CD1-ND2 3.18Å; L827-N831 PolarHBondContact O-N 3.04Å; L827-N831 PolarHBondContact O-ND2 2.96Å; M828-N831 CarbonylContact O-C 3.43Å; M828-N831 PolarHBondContact O-N 2.83Å; M828-N831 VanDerWaalsContact O-N 3.11Å; L829-N831 PolarHBondContact O-N 2.79Å; N831-R833 VanDerWaalsContact C-N 3.34Å; N831-R833 PolarHBondContact O-N 2.91Å; N831-G834 PolarHBondContact O-N 3.11Å; N831-G834 VanDerWaalsContact O-N 3.08Å; N831-L835 HydrophobicContact CB-CD1 4.42Å; N831-L835 HydrophobicContact CB-CG 4.44Å; N831-L835 WeakPolarHBondContact O-CG 3.49Å; N831-L835 PolarHBondContact O-N 2.75Å; N831-T888 HydrophobicContact CB-CG2 3.9Å
832	A	86.6	Confident	85.8	Confident	22 Å²	22	44.8 Å²	44.8	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-57.4	-41.4	-170	0	0	0	0	0	113.5	M828 L829 G834 L835 L836 L915 F916	M828-A832 WeakPolarHBondContact O-CA 3.49Å; M828-A832 PolarHBondContact O-N 2.92Å; L829-A832 WeakPolarHBondContact O-CB 3.47Å; L829-A832 PolarHBondContact O-N 3.27Å; A832-G834 PolarHBondContact O-N 2.98Å; A832-L835 PolarHBondContact O-N 3.03Å; A832-L836 PolarHBondContact O-N 2.82Å; A832-L915 HydrophobicContact CB-CD1 4.32Å; A832-F916 HydrophobicContact CB-CZ 4.35Å; A832-F916 VanDerWaalsContact O-CZ 3.23Å; A832-F916 WeakPolarHBondContact O-CZ 3.48Å
833	R	83.8	Confident	84.5	Confident	230 Å²	230	46.1 Å²	46.1	87%	0.868	23%	0.226	S	C	*	.	H	α-helix	trans	-61.6	-43.7	177.9	-69.7	-178.6	177.6	147.7	-1.7	112.2	N831 L836 A837	N831-R833 VanDerWaalsContact C-N 3.34Å; N831-R833 PolarHBondContact O-N 2.91Å; R833-L836 PolarHBondContact O-N 2.73Å; R833-A837 PolarHBondContact O-N 3.18Å
834	G	83.8	Confident	83	Confident	8 Å²	8	46.2 Å²	46.2	8%	0.082	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-37.1	177.5	0	0	0	0	0	112.2	N831 A832 A837 S838 A886 T888	N831-G834 PolarHBondContact O-N 3.11Å; N831-G834 VanDerWaalsContact O-N 3.08Å; A832-G834 PolarHBondContact O-N 2.98Å; G834-A837 PolarHBondContact O-N 3.18Å; G834-S838 PolarHBondContact O-N 3.31Å; G834-S838 PolarHBondContact O-OG 3.19Å; G834-A886 WeakPolarHBondContact CA-O 3.17Å; G834-T888 VanDerWaalsContact C-N 3.34Å; G834-T888 WeakPolarHBondContact CA-OG1 2.92Å; G834-T888 PolarHBondContact O-N 2.9Å
835	L	85.6	Confident	81.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-41.7	175	-69.4	169.3	0	0	0	112.4	P598 M828 N831 A832 S838 T839 T888 L890 F916	P598-L835 HydrophobicContact CG-CD2 3.89Å; M828-L835 HydrophobicContact CB-CD1 4.16Å; M828-L835 HydrophobicContact CE-CD1 3.83Å; M828-L835 HydrophobicContact CG-CD1 4.34Å; N831-L835 HydrophobicContact CB-CD1 4.42Å; N831-L835 HydrophobicContact CB-CG 4.44Å; N831-L835 WeakPolarHBondContact O-CG 3.49Å; N831-L835 PolarHBondContact O-N 2.75Å; A832-L835 PolarHBondContact O-N 3.03Å; L835-S838 PolarHBondContact O-N 3.33Å; L835-T839 WeakPolarHBondContact O-CB 3.5Å; L835-T839 PolarHBondContact O-N 3.38Å; L835-T839 PolarHBondContact O-OG1 3.39Å; L835-T888 HydrophobicContact CD2-CG2 4.39Å; L835-L890 HydrophobicContact CD1-CD1 4.33Å; L835-L890 HydrophobicContact CD2-CD1 3.93Å; L835-L890 HydrophobicContact CD2-CG 3.87Å; L835-F916 HydrophobicContact CB-CE2 4.14Å; L835-F916 HydrophobicContact CB-CZ 4.32Å
836	L	82.7	Confident	79.1	Confident	73 Å²	73	52.6 Å²	52.6	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-47.8	176	-179.2	54.6	0	0	0	111.2	A832 R833 S838 T839 N840 F916	A832-L836 PolarHBondContact O-N 2.82Å; R833-L836 PolarHBondContact O-N 2.73Å; L836-S838 VanDerWaalsContact C-N 3.32Å; L836-S838 PolarHBondContact O-N 3.4Å; L836-T839 WeakPolarHBondContact O-CB 3.5Å; L836-T839 PolarHBondContact O-N 2.98Å; L836-T839 VanDerWaalsContact O-N 3.13Å; L836-N840 PolarHBondContact O-N 3.44Å; L836-N840 VanDerWaalsContact O-N 3.11Å; L836-F916 HydrophobicContact CB-CD1 4.1Å; L836-F916 HydrophobicContact CB-CE1 3.55Å; L836-F916 HydrophobicContact CB-CZ 3.79Å; L836-F916 HydrophobicContact CD1-CD1 3.63Å; L836-F916 HydrophobicContact CD1-CE1 4.02Å; L836-F916 HydrophobicContact CD1-CG 4.04Å; L836-F916 HydrophobicContact CD2-CD1 4.25Å; L836-F916 HydrophobicContact CD2-CE1 4.12Å; L836-F916 HydrophobicContact CG-CD1 4.19Å; L836-F916 HydrophobicContact CG-CE1 4.08Å
837	A	79.8	Confident	76.5	Confident	22 Å²	22	52.7 Å²	52.7	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-44.1	177.6	0	0	0	0	0	111	R833 G834 T839 N840 T841 V885 V887	R833-A837 PolarHBondContact O-N 3.18Å; G834-A837 PolarHBondContact O-N 3.18Å; A837-T839 VanDerWaalsContact C-N 3.32Å; A837-T839 PolarHBondContact O-N 3.28Å; A837-N840 PolarHBondContact O-N 2.84Å; A837-T841 WeakPolarHBondContact O-CG2 3.37Å; A837-T841 PolarHBondContact O-N 3.31Å; A837-T841 VanDerWaalsContact O-N 3.16Å; A837-V885 HydrophobicContact CB-CG1 4.04Å; A837-V887 HydrophobicContact CB-CG1 3.68Å
838	S	81.5	Confident	73.5	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-37.5	174.2	-56.1	0	0	0	0	113.1	G834 L835 L836 T841 C842 V887 T888	G834-S838 PolarHBondContact O-N 3.31Å; G834-S838 PolarHBondContact O-OG 3.19Å; L835-S838 PolarHBondContact O-N 3.33Å; L836-S838 VanDerWaalsContact C-N 3.32Å; L836-S838 PolarHBondContact O-N 3.4Å; S838-T841 VanDerWaalsContact C-OG1 3.25Å; S838-T841 VanDerWaalsContact CA-OG1 3.25Å; S838-T841 WeakPolarHBondContact CA-OG1 3.41Å; S838-T841 CarbonylContact O-C 3.52Å; S838-T841 PolarHBondContact O-N 3.33Å; S838-T841 PolarHBondContact O-OG1 2.68Å; S838-C842 WeakPolarHBondContact O-CB 3.41Å; S838-C842 PolarHBondContact O-N 2.7Å; S838-C842 PolarHBondContact O-SG 3.37Å; S838-V887 VanDerWaalsContact OG-C 3.25Å; S838-V887 WeakPolarHBondContact OG-CA 3.5Å; S838-V887 VanDerWaalsContact OG-CB 3.25Å; S838-V887 WeakPolarHBondContact OG-CB 3.27Å; S838-T888 WeakPolarHBondContact CB-O 3.41Å; S838-T888 VanDerWaalsContact OG-C 3.24Å; S838-T888 PolarHBondContact OG-N 3.39Å; S838-T888 PolarHBondContact OG-O 3.03Å
839	T	80.1	Confident	70.6	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.043	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-46.3	-179.7	-54.7	0	0	0	0	110.5	L597 P598 L835 L836 A837 T841 C842 L843 H912	L597-T839 HydrophobicContact CD2-CG2 4.09Å; P598-T839 WeakPolarHBondContact CD-OG1 3.41Å; L835-T839 WeakPolarHBondContact O-CB 3.5Å; L835-T839 PolarHBondContact O-N 3.38Å; L835-T839 PolarHBondContact O-OG1 3.39Å; L836-T839 WeakPolarHBondContact O-CB 3.5Å; L836-T839 PolarHBondContact O-N 2.98Å; L836-T839 VanDerWaalsContact O-N 3.13Å; A837-T839 VanDerWaalsContact C-N 3.32Å; A837-T839 PolarHBondContact O-N 3.28Å; T839-T841 VanDerWaalsContact C-N 3.28Å; T839-T841 PolarHBondContact O-N 2.92Å; T839-C842 PolarHBondContact O-N 2.99Å; T839-C842 VanDerWaalsContact O-N 3.11Å; T839-L843 HydrophobicContact CG2-CD1 4.4Å; T839-L843 WeakPolarHBondContact O-CG 3.49Å; T839-L843 PolarHBondContact O-N 2.99Å; T839-H912 PolarHBondContact OG1-NE2 2.98Å
840	N	73.7	Confident	68.1	Low	92 Å²	92	57.6 Å²	57.6	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-43	175	-68.7	-19.4	0	0	0	111.3	L836 A837 L843 S844	L836-N840 PolarHBondContact O-N 3.44Å; L836-N840 VanDerWaalsContact O-N 3.11Å; A837-N840 PolarHBondContact O-N 2.84Å; N840-L843 PolarHBondContact O-N 2.96Å; N840-S844 PolarHBondContact O-N 3.09Å; N840-S844 PolarHBondContact O-OG 3.29Å; N840-S844 VanDerWaalsContact O-OG 3.08Å
841	T	70.2	Confident	65.1	Low	12 Å²	12	54.1 Å²	54.1	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-36.5	175.7	60.9	0	0	0	0	113.3	Y621 I658 A837 S838 T839 S844 L845 V887	Y621-T841 HydrophobicContact CE1-CG2 4.35Å; Y621-T841 WeakPolarHBondContact CE1-OG1 3.34Å; I658-T841 HydrophobicContact CD1-CG2 3.74Å; I658-T841 HydrophobicContact CG1-CG2 4.48Å; I658-T841 HydrophobicContact CG2-CG2 4.49Å; A837-T841 WeakPolarHBondContact O-CG2 3.37Å; A837-T841 PolarHBondContact O-N 3.31Å; A837-T841 VanDerWaalsContact O-N 3.16Å; S838-T841 VanDerWaalsContact C-OG1 3.25Å; S838-T841 VanDerWaalsContact CA-OG1 3.25Å; S838-T841 WeakPolarHBondContact CA-OG1 3.41Å; S838-T841 CarbonylContact O-C 3.52Å; S838-T841 PolarHBondContact O-N 3.33Å; S838-T841 PolarHBondContact O-OG1 2.68Å; T839-T841 VanDerWaalsContact C-N 3.28Å; T839-T841 PolarHBondContact O-N 2.92Å; T841-S844 CarbonylContact O-C 3.58Å; T841-S844 WeakPolarHBondContact O-CB 3.49Å; T841-S844 PolarHBondContact O-N 2.77Å; T841-L845 WeakPolarHBondContact O-CG 3.36Å; T841-L845 PolarHBondContact O-N 3.32Å; T841-V887 HydrophobicContact CG2-CG1 4.42Å
842	C	70.1	Confident	62.3	Low	3 Å²	3	59.7 Å²	59.7	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-36.1	177.4	-71	0	0	0	0	111.5	Q593 G596 S838 T839 L845 K846	Q593-C842 PolarHBondContact NE2-SG 3.49Å; Q593-C842 VanDerWaalsContact NE2-SG 3.42Å; G596-C842 WeakPolarHBondContact O-CB 3.2Å; S838-C842 WeakPolarHBondContact O-CB 3.41Å; S838-C842 PolarHBondContact O-N 2.7Å; S838-C842 PolarHBondContact O-SG 3.37Å; T839-C842 PolarHBondContact O-N 2.99Å; T839-C842 VanDerWaalsContact O-N 3.11Å; C842-L845 CarbonylContact O-C 3.58Å; C842-L845 WeakPolarHBondContact O-CB 3.12Å; C842-L845 PolarHBondContact O-N 3.38Å; C842-K846 PolarHBondContact O-N 2.86Å
843	L	67.1	Low	59.6	Low	42 Å²	42	63.6 Å²	63.6	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-65.7	-44	171.8	-66.9	172	0	0	0	110.8	T839 N840 L845 K846 H847 M919	T839-L843 HydrophobicContact CG2-CD1 4.4Å; T839-L843 WeakPolarHBondContact O-CG 3.49Å; T839-L843 PolarHBondContact O-N 2.99Å; N840-L843 PolarHBondContact O-N 2.96Å; L843-L845 PolarHBondContact O-N 3.26Å; L843-K846 PolarHBondContact O-N 3.48Å; L843-H847 PolarHBondContact O-CD2 2.93Å; L843-H847 PolarHBondContact O-N 2.85Å; L843-H847 VanDerWaalsContact O-N 3.07Å; L843-M919 HydrophobicContact CD1-CE 3.55Å; L843-M919 HydrophobicContact CD1-SD 4.23Å; L843-M919 HydrophobicContact CD2-CE 3.64Å; L843-M919 HydrophobicContact CD2-SD 4.11Å; L843-M919 HydrophobicContact CG-CE 4.24Å
844	S	60.7	Low	56.8	Low	70 Å²	70	59.5 Å²	59.5	49%	0.49	35%	0.35	S	S	.	.	H	α-helix	trans	-58.9	-35.9	171.1	-55.3	0	0	0	0	112.4	N840 T841 A848	N840-S844 PolarHBondContact O-N 3.09Å; N840-S844 PolarHBondContact O-OG 3.29Å; N840-S844 VanDerWaalsContact O-OG 3.08Å; T841-S844 CarbonylContact O-C 3.58Å; T841-S844 WeakPolarHBondContact O-CB 3.49Å; T841-S844 PolarHBondContact O-N 2.77Å; S844-A848 WeakPolarHBondContact O-CB 3.32Å; S844-A848 PolarHBondContact O-N 3.48Å; S844-A848 VanDerWaalsContact O-N 3.15Å
845	L	55.3	Low	54.1	Low	37 Å²	37	64.8 Å²	64.8	19%	0.194	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-46.3	172.6	-78	169.1	0	0	0	112.2	I624 T841 C842 L843 H847 A848 C849	I624-L845 HydrophobicContact CD1-CD1 3.84Å; I624-L845 HydrophobicContact CD1-CD2 3.73Å; I624-L845 HydrophobicContact CD1-CG 3.55Å; I624-L845 HydrophobicContact CG1-CD2 4.1Å; I624-L845 HydrophobicContact CG1-CG 4.37Å; T841-L845 WeakPolarHBondContact O-CG 3.36Å; T841-L845 PolarHBondContact O-N 3.32Å; C842-L845 CarbonylContact O-C 3.58Å; C842-L845 WeakPolarHBondContact O-CB 3.12Å; C842-L845 PolarHBondContact O-N 3.38Å; L843-L845 PolarHBondContact O-N 3.26Å; L845-H847 VanDerWaalsContact C-N 3.27Å; L845-H847 PolarHBondContact O-N 2.8Å; L845-A848 CarbonylContact O-C 3.58Å; L845-A848 WeakPolarHBondContact O-CA 3.33Å; L845-A848 PolarHBondContact O-N 3.23Å; L845-C849 WeakPolarHBondContact O-CB 3.39Å; L845-C849 PolarHBondContact O-N 3.37Å; L845-C849 PolarHBondContact O-SG 2.95Å
846	K	50.4	Low	51.1	Low	106 Å²	106	70.5 Å²	70.5	46%	0.461	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-38.4	179.2	-166.7	174.3	-176.9	175.6	0	111.5	C842 L843 A848 S850	C842-K846 PolarHBondContact O-N 2.86Å; L843-K846 PolarHBondContact O-N 3.48Å; K846-A848 VanDerWaalsContact C-N 3.31Å; K846-A848 PolarHBondContact O-N 3.05Å; K846-S850 PolarHBondContact O-N 3.36Å
847	H	38.3	Very low	48.4	Very low	156 Å²	156	76 Å²	76	72%	0.722	44%	0.444	S	S	*	.	H	α-helix	trans	-68.8	-26.1	172.6	-72.1	-66.6	0	0	0	113.5	L843 L845 S850	L843-H847 PolarHBondContact O-CD2 2.93Å; L843-H847 PolarHBondContact O-N 2.85Å; L843-H847 VanDerWaalsContact O-N 3.07Å; L845-H847 VanDerWaalsContact C-N 3.27Å; L845-H847 PolarHBondContact O-N 2.8Å; H847-S850 PolarHBondContact O-OG 2.88Å; H847-S850 VanDerWaalsContact O-OG 3.1Å
848	A	30.2	Very low	45.9	Very low	48 Å²	48	80.4 Å²	80.4	40%	0.397	47%	0.473	S	S	.	.	H	α-helix	trans	-87.7	-30.2	174.6	0	0	0	0	0	113.8	S844 L845 K846	S844-A848 WeakPolarHBondContact O-CB 3.32Å; S844-A848 PolarHBondContact O-N 3.48Å; S844-A848 VanDerWaalsContact O-N 3.15Å; L845-A848 CarbonylContact O-C 3.58Å; L845-A848 WeakPolarHBondContact O-CA 3.33Å; L845-A848 PolarHBondContact O-N 3.23Å; K846-A848 VanDerWaalsContact C-N 3.31Å; K846-A848 PolarHBondContact O-N 3.05Å
849	C	29.7	Very low	43.4	Very low	46 Å²	46	85 Å²	85	31%	0.311	51%	0.511	S	S	.	.	H	α-helix	trans	-91.4	-3.1	-175.3	-64.9	0	0	0	0	113.3	L845 G851 L852	L845-C849 WeakPolarHBondContact O-CB 3.39Å; L845-C849 PolarHBondContact O-N 3.37Å; L845-C849 PolarHBondContact O-SG 2.95Å; C849-G851 PolarHBondContact O-N 3.48Å; C849-L852 HydrophobicContact CB-CB 4.36Å; C849-L852 HydrophobicContact CB-CD1 3.84Å; C849-L852 WeakPolarHBondContact O-CB 3.45Å; C849-L852 PolarHBondContact O-N 3.48Å; C849-L852 WeakPolarHBondContact SG-CD1 3.45Å
850	S	38.7	Very low	40.6	Very low	88 Å²	88	96.2 Å²	96.2	62%	0.615	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-13.8	161	53.4	0	0	0	0	112.6	K846 H847	K846-S850 PolarHBondContact O-N 3.36Å; H847-S850 PolarHBondContact O-OG 2.88Å; H847-S850 VanDerWaalsContact O-OG 3.1Å
851	G	29.3	Very low	38.3	Very low	52 Å²	52	101 Å²	101	54%	0.536	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	-3.1	168.3	0	0	0	0	0	116.7	C849	C849-G851 PolarHBondContact O-N 3.48Å
852	L	31.1	Very low	36.3	Very low	139 Å²	139	104.6 Å²	104.6	73%	0.728	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-17.7	-177.5	-98.4	141.5	0	0	0	113.8	C849	C849-L852 HydrophobicContact CB-CB 4.36Å; C849-L852 HydrophobicContact CB-CD1 3.84Å; C849-L852 WeakPolarHBondContact O-CB 3.45Å; C849-L852 PolarHBondContact O-N 3.48Å; C849-L852 WeakPolarHBondContact SG-CD1 3.45Å
853	S	30.1	Very low	34.2	Very low	105 Å²	105	112.3 Å²	112.3	73%	0.734	64%	0.637	S	S	*	*	S	Bend	trans	-94.6	3.8	175	57.9	0	0	0	0	114.3
854	Q	23.9	Very low	32.3	Very low	143 Å²	143	118.4 Å²	118.4	67%	0.668	66%	0.662	S	S	*	*	S	Bend	trans	-111.5	130.3	166.4	-77	-165.7	-3.3	0	0	110.5	S856	Q854-S856 PolarHBondContact O-N 3.19Å
855	P	27.4	Very low	30.6	Very low	119 Å²	119	121.6 Å²	121.6	77%	0.773	67%	0.674	S	S	*	*			trans	-57.4	125.7	170.6	-16.7	28.4	0	0	0	109.2	K857	P855-K857 PolarHBondContact O-N 2.9Å; P855-K857 VanDerWaalsContact O-N 3.09Å
856	S	24	Very low	29.9	Very low	120 Å²	120	125.5 Å²	125.5	84%	0.839	70%	0.701	S	S	*	*			trans	-11.7	98	175.1	62.3	0	0	0	0	115.2	Q854	Q854-S856 PolarHBondContact O-N 3.19Å
857	K	24.5	Very low	29	Very low	190 Å²	190	126.2 Å²	126.2	83%	0.826	71%	0.714	S	S	*	*			trans	-105.9	112.1	148.8	-75.9	-172.8	178.6	178.9	0	107.4	P855 A859	P855-K857 PolarHBondContact O-N 2.9Å; P855-K857 VanDerWaalsContact O-N 3.09Å; K857-A859 PolarHBondContact O-N 2.92Å
858	S	27.9	Very low	28.6	Very low	114 Å²	114	125.5 Å²	125.5	80%	0.797	72%	0.716	S	S	*	*			trans	-19.1	119.2	174.7	49.9	0	0	0	0	114.4	R860	S858-R860 PolarHBondContact O-N 3.44Å
859	A	28.2	Very low	28.8	Very low	95 Å²	95	132.2 Å²	132.2	79%	0.785	74%	0.736	S	S	*	*			trans	-50.3	128.4	171.3	0	0	0	0	0	110.3	K857 Q861	K857-A859 PolarHBondContact O-N 2.92Å; A859-Q861 PolarHBondContact O-N 2.96Å
860	R	22.7	Very low	29	Very low	243 Å²	243	136.8 Å²	136.8	92%	0.917	76%	0.758	S	S	*	*			trans	-53.8	122.8	170.7	-79.7	179.7	178	169.9	-0.9	108.4	S858 S862	S858-R860 PolarHBondContact O-N 3.44Å; R860-S862 PolarHBondContact O-N 2.8Å
861	Q	24.9	Very low	28.7	Very low	193 Å²	193	136.6 Å²	136.6	90%	0.902	75%	0.749	S	S	*	*			trans	-46.8	105	172.9	-72.8	165.9	-29.1	0	0	109.5	A859	A859-Q861 PolarHBondContact O-N 2.96Å
862	S	28.2	Very low	28.8	Very low	88 Å²	88	139.3 Å²	139.3	62%	0.615	75%	0.751	S	S	*	*			trans	-74.6	128.6	164.4	65.1	0	0	0	0	107.7	R860 F864	R860-S862 PolarHBondContact O-N 2.8Å; S862-F864 PolarHBondContact O-N 2.94Å
863	I	25.3	Very low	28.8	Very low	164 Å²	164	141.4 Å²	141.4	84%	0.841	76%	0.757	S	S	*	*			trans	-54.9	93.4	176.9	-59.3	154.2	0	0	0	108.8
864	F	26.5	Very low	28.9	Very low	170 Å²	170	142.1 Å²	142.1	75%	0.746	75%	0.752	S	S	*	*			trans	-124.1	104	167.1	-92.1	-81.8	0	0	0	107.1	S862 P866	S862-F864 PolarHBondContact O-N 2.94Å; F864-P866 WeakPolarHBondContact O-CD 3.28Å
865	N	26.5	Very low	29.4	Very low	138 Å²	138	138 Å²	138	74%	0.738	74%	0.738	S	S	*	*			trans	-70.9	118.5	167.8	-84.6	-17.6	0	0	0	108.3	T867	N865-T867 VanDerWaalsContact C-N 3.25Å; N865-T867 PolarHBondContact O-N 2.83Å; N865-T867 VanDerWaalsContact O-N 3.13Å
866	P	39.6	Very low	29.6	Very low	118 Å²	118	134.7 Å²	134.7	77%	0.766	72%	0.718	S	S	*	*			trans	-86.4	32	-170.7	34.3	-34.5	0	0	0	114	F864	F864-P866 WeakPolarHBondContact O-CD 3.28Å
867	T	31.8	Very low	30.4	Very low	121 Å²	121	134.7 Å²	134.7	74%	0.742	72%	0.715	S	S	*	*			trans	-102.4	5.2	-170.8	54.4	0	0	0	0	116.4	N865	N865-T867 VanDerWaalsContact C-N 3.25Å; N865-T867 PolarHBondContact O-N 2.83Å; N865-T867 VanDerWaalsContact O-N 3.13Å
868	N	29.4	Very low	31	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	71%	0.71	S	S	*	*			trans	-114.7	104	168.8	-101.1	1.7	0	0	0	110.3
869	K	35.3	Very low	31.5	Very low	190 Å²	190	131.2 Å²	131.2	83%	0.826	70%	0.704	S	S	*	*			trans	-85.5	-4.3	-175.4	-87.8	-176.5	173	179.7	0	114.9
870	D	32.9	Very low	32.1	Very low	142 Å²	142	127.9 Å²	127.9	76%	0.759	67%	0.674	S	S	*	*	S	Bend	trans	-114.7	4.8	-160	-66.2	-23.8	0	0	0	117.2
871	D	32.5	Very low	33	Very low	83 Å²	83	122 Å²	122	44%	0.444	66%	0.661	S	S	.	*	S	Bend	trans	-114.1	18.7	-171.8	-77.3	-40.1	0	0	0	117	N634	N634-D871 PolarHBondContact ND2-OD1 3.22Å
872	L	32.1	Very low	34.1	Very low	110 Å²	110	116.2 Å²	116.2	58%	0.576	64%	0.635	S	S	*	*			trans	-122.4	63.1	175.6	-75.8	162.1	0	0	0	112.4	P631 F788	P631-L872 HydrophobicContact CB-CD2 4.36Å; F788-L872 HydrophobicContact CZ-CD1 4.36Å
873	Q	30.4	Very low	35.5	Very low	183 Å²	183	115.6 Å²	115.6	86%	0.855	63%	0.625	S	S	*	*			trans	-81.1	112.9	161.4	-74.6	-177	3.5	0	0	109.2
874	L	33.8	Very low	37.3	Very low	119 Å²	119	113.5 Å²	113.5	62%	0.623	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-59.6	126	161.5	-91.9	127.7	0	0	0	107.8	F788	F788-L874 HydrophobicContact CE1-CD1 4.47Å
875	P	33.5	Very low	39.2	Very low	57 Å²	57	108.1 Å²	108.1	37%	0.37	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-64.7	144.7	-179.5	24.1	-31.2	0	0	0	110.9	Y655 T880	Y655-P875 HydrophobicContact CD2-CG 4.17Å; Y655-P875 HydrophobicContact CE2-CG 4Å; P875-T880 HydrophobicContact CB-CG2 3.59Å; P875-T880 WeakPolarHBondContact CB-OG1 3.32Å; P875-T880 HydrophobicContact CG-CG2 3.52Å; P875-T880 WeakPolarHBondContact CG-OG1 3.34Å
876	S	32.3	Very low	41.3	Very low	50 Å²	50	103.9 Å²	103.9	35%	0.35	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-58.4	143.6	177.2	88.4	0	0	0	0	110	S878 D879 T880	S876-S878 PolarHBondContact O-N 2.89Å; S876-S878 PolarHBondContact OG-OG 3.29Å; S876-D879 PolarHBondContact O-N 3.04Å; S876-D879 PolarHBondContact OG-OD2 2.91Å; S876-D879 VanDerWaalsContact OG-OD2 3.08Å; S876-T880 PolarHBondContact O-OG1 3.35Å
877	P	40.1	Very low	43.3	Very low	120 Å²	120	98.2 Å²	98.2	78%	0.779	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.9	-175.8	-24.1	32.4	0	0	0	114.8
878	S	36.7	Very low	46	Very low	103 Å²	103	92.7 Å²	92.7	72%	0.72	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-24.4	-175.6	16.4	0	0	0	0	114.2	S876	S876-S878 PolarHBondContact O-N 2.89Å; S876-S878 PolarHBondContact OG-OG 3.29Å
879	D	39.2	Very low	48.8	Very low	128 Å²	128	86 Å²	86	68%	0.684	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-5.6	-168.2	-67.5	-42.4	0	0	0	115	S876	S876-D879 PolarHBondContact O-N 3.04Å; S876-D879 PolarHBondContact OG-OD2 2.91Å; S876-D879 VanDerWaalsContact OG-OD2 3.08Å
880	T	41.5	Very low	51.6	Low	24 Å²	24	76.9 Å²	76.9	15%	0.147	43%	0.429	C	S	.	.	S	Bend	trans	-108.9	124.5	177.3	18.5	0	0	0	0	111.7	N653 Y655 P875 S876 L882	N653-T880 WeakPolarHBondContact O-CG2 3.46Å; Y655-T880 HydrophobicContact CD2-CG2 4.4Å; P875-T880 HydrophobicContact CB-CG2 3.59Å; P875-T880 WeakPolarHBondContact CB-OG1 3.32Å; P875-T880 HydrophobicContact CG-CG2 3.52Å; P875-T880 WeakPolarHBondContact CG-OG1 3.34Å; S876-T880 PolarHBondContact O-OG1 3.35Å; T880-L882 PolarHBondContact O-N 3.22Å
881	L	40.1	Very low	54.5	Low	121 Å²	121	70.1 Å²	70.1	63%	0.634	39%	0.393	S	S	*	.			trans	-68.5	86.5	166.1	-150.8	100.9	0	0	0	107.8	V652 S654 N883	V652-L881 HydrophobicContact CG1-CB 4.13Å; S654-L881 WeakPolarHBondContact CB-O 3.27Å; L881-N883 PolarHBondContact O-N 3.26Å
882	L	49.4	Very low	57.5	Low	71 Å²	71	66.2 Å²	66.2	37%	0.372	37%	0.372	S	S	.	.			trans	-61.9	106.3	172.3	-97	132.9	0	0	0	108.5	V657 T880 K884	V657-L882 HydrophobicContact CB-CD2 3.55Å; V657-L882 HydrophobicContact CG1-CD2 4.36Å; V657-L882 HydrophobicContact CG2-CD2 3.22Å; T880-L882 PolarHBondContact O-N 3.22Å; L882-K884 PolarHBondContact O-N 3.45Å
883	N	56.5	Low	60.5	Low	75 Å²	75	61 Å²	61	40%	0.401	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	94	171.3	-84.5	-23.8	0	0	0	108.1	S654 Y655 A656 V657 L881 V885	S654-N883 WeakPolarHBondContact CB-ND2 3.47Å; S654-N883 PolarHBondContact OG-ND2 3.14Å; S654-N883 VanDerWaalsContact OG-ND2 3.14Å; Y655-N883 PolarHBondContact O-N 3.49Å; A656-N883 VanDerWaalsContact CA-O 3.26Å; A656-N883 WeakPolarHBondContact CA-O 3.37Å; V657-N883 PolarHBondContact N-O 2.62Å; V657-N883 VanDerWaalsContact N-O 3.15Å; L881-N883 PolarHBondContact O-N 3.26Å; N883-V885 PolarHBondContact O-N 2.77Å
884	K	64.3	Low	63.3	Low	119 Å²	119	52.2 Å²	52.2	52%	0.517	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	115	178.6	-62.7	-179	-176	-178.4	0	109.7	M659 Y798 L882	M659-K884 HydrophobicContact CE-CG 4.44Å; M659-K884 HydrophobicContact CG-CB 4.12Å; M659-K884 HydrophobicContact CG-CD 4.48Å; M659-K884 HydrophobicContact CG-CG 4.17Å; Y798-K884 HydrophobicContact CE2-CD 4.28Å; L882-K884 PolarHBondContact O-N 3.45Å
885	V	65.7	Low	65.8	Low	57 Å²	57	47 Å²	47	35%	0.345	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	101.4	170.4	-179.2	0	0	0	0	108	A656 V657 M659 A837 N883 V887	A656-V885 HydrophobicContact CB-CG2 4.08Å; V657-V885 PolarHBondContact O-N 3.27Å; M659-V885 PolarHBondContact N-O 2.87Å; A837-V885 HydrophobicContact CB-CG1 4.04Å; N883-V885 PolarHBondContact O-N 2.77Å; V885-V887 HydrophobicContact CG1-CG1 4.32Å; V885-V887 PolarHBondContact O-N 3.27Å
886	A	70.8	Confident	68.2	Low	49 Å²	49	46 Å²	46	41%	0.405	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122.4	176.6	0	0	0	0	0	110.3	M659 G834	M659-A886 WeakPolarHBondContact O-CA 3.43Å; G834-A886 WeakPolarHBondContact CA-O 3.17Å
887	V	81.9	Confident	70.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130	176	-65.2	0	0	0	0	108.8	Y621 I658 M659 P660 Q661 A837 S838 T841 V885	Y621-V887 HydrophobicContact CD1-CG2 3.88Å; Y621-V887 HydrophobicContact CE1-CB 4.27Å; Y621-V887 HydrophobicContact CE1-CG2 3.52Å; Y621-V887 HydrophobicContact CG-CG2 4.48Å; I658-V887 HydrophobicContact CG2-CB 4.07Å; I658-V887 HydrophobicContact CG2-CG1 3.48Å; I658-V887 VanDerWaalsContact CG2-CG1 3.48Å; I658-V887 HydrophobicContact CG2-CG2 3.37Å; M659-V887 PolarHBondContact O-N 2.82Å; P660-V887 CarbonylContact C-O 3.09Å; P660-V887 VanDerWaalsContact CA-CG2 3.4Å; P660-V887 VanDerWaalsContact CA-O 3.29Å; P660-V887 WeakPolarHBondContact CA-O 3.37Å; P660-V887 HydrophobicContact CB-CG2 3.85Å; P660-V887 HydrophobicContact CG-CG2 4.45Å; Q661-V887 PolarHBondContact N-O 2.95Å; A837-V887 HydrophobicContact CB-CG1 3.68Å; S838-V887 VanDerWaalsContact OG-C 3.25Å; S838-V887 WeakPolarHBondContact OG-CA 3.5Å; S838-V887 VanDerWaalsContact OG-CB 3.25Å; S838-V887 WeakPolarHBondContact OG-CB 3.27Å; T841-V887 HydrophobicContact CG2-CG1 4.42Å; V885-V887 HydrophobicContact CG1-CG1 4.32Å; V885-V887 PolarHBondContact O-N 3.27Å
888	T	87.2	Confident	72.8	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.5	-178.3	-52.5	0	0	0	0	111.8	Q661 I663 N831 G834 L835 S838 L890	Q661-T888 CarbonylContact O-C 3.32Å; Q661-T888 PolarHBondContact OE1-OG1 3.42Å; I663-T888 HydrophobicContact CD1-CG2 3.5Å; I663-T888 VanDerWaalsContact CD1-CG2 3.5Å; I663-T888 HydrophobicContact CG1-CG2 3.93Å; N831-T888 HydrophobicContact CB-CG2 3.9Å; G834-T888 VanDerWaalsContact C-N 3.34Å; G834-T888 WeakPolarHBondContact CA-OG1 2.92Å; G834-T888 PolarHBondContact O-N 2.9Å; L835-T888 HydrophobicContact CD2-CG2 4.39Å; S838-T888 WeakPolarHBondContact CB-O 3.41Å; S838-T888 VanDerWaalsContact OG-C 3.24Å; S838-T888 PolarHBondContact OG-N 3.39Å; S838-T888 PolarHBondContact OG-O 3.03Å; T888-L890 HydrophobicContact CG2-CD2 4.13Å
889	N	89.4	Confident	75	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.5	174.2	-66.6	-77.3	0	0	0	109.5	Y600 Y621 Q661 I663	Y600-N889 HydrophobicContact CD2-CB 4.45Å; Y600-N889 HydrophobicContact CE2-CB 4.04Å; Y600-N889 WeakPolarHBondContact CE2-OD1 3.35Å; Y621-N889 VanDerWaalsContact CE2-ND2 3.28Å; Y621-N889 WeakPolarHBondContact CE2-ND2 3.24Å; Y621-N889 PolarHBondContact OH-ND2 2.55Å; Y621-N889 VanDerWaalsContact OH-ND2 3.12Å; Y621-N889 PolarHBondContact OH-OD1 3.39Å; Q661-N889 PolarHBondContact O-N 3.42Å; I663-N889 PolarHBondContact N-O 2.96Å
890	L	93.6	Very high	77.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.6	177.5	-56.2	179.2	0	0	0	109.3	P598 Y600 I663 I665 L827 M828 L835 T888 F892	P598-L890 PolarHBondContact O-N 3.03Å; Y600-L890 PolarHBondContact N-O 3.46Å; I663-L890 HydrophobicContact CB-CD2 3.83Å; I663-L890 HydrophobicContact CD1-CD2 3.99Å; I663-L890 HydrophobicContact CG1-CD2 4.3Å; I663-L890 HydrophobicContact CG2-CD2 4.22Å; I665-L890 HydrophobicContact CD1-CB 4.33Å; I665-L890 HydrophobicContact CD1-CD2 4.42Å; L827-L890 HydrophobicContact CD2-CD2 4.08Å; M828-L890 HydrophobicContact CE-CD1 4.19Å; M828-L890 HydrophobicContact CG-CD1 3.75Å; M828-L890 HydrophobicContact SD-CD1 4.24Å; L835-L890 HydrophobicContact CD1-CD1 4.33Å; L835-L890 HydrophobicContact CD2-CD1 3.93Å; L835-L890 HydrophobicContact CD2-CG 3.87Å; T888-L890 HydrophobicContact CG2-CD2 4.13Å; L890-F892 HydrophobicContact CB-CE2 3.99Å; L890-F892 HydrophobicContact CD1-CE2 4.48Å
891	I	93.7	Very high	79.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	103.4	179.9	-53.7	166.3	0	0	0	107.8	Y600 I613 L617 I663 W664 I665	Y600-I891 HydrophobicContact CD2-CG1 4.26Å; I613-I891 HydrophobicContact CG2-CD1 4.05Å; L617-I891 HydrophobicContact CD1-CD1 4.37Å; I663-I891 PolarHBondContact O-N 2.71Å; W664-I891 HydrophobicContact CD2-CB 4.14Å; W664-I891 HydrophobicContact CD2-CD1 4.11Å; W664-I891 HydrophobicContact CD2-CG2 4.22Å; W664-I891 HydrophobicContact CE3-CB 4.07Å; W664-I891 HydrophobicContact CE3-CG2 3.68Å; W664-I891 HydrophobicContact CH2-CD1 4.16Å; W664-I891 HydrophobicContact CH2-CG2 3.96Å; W664-I891 HydrophobicContact CZ2-CD1 3.61Å; W664-I891 HydrophobicContact CZ2-CG2 4.44Å; W664-I891 HydrophobicContact CZ3-CB 4.36Å; W664-I891 HydrophobicContact CZ3-CG2 3.53Å; I665-I891 PolarHBondContact N-O 2.99Å
892	F	95.6	Very high	82	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.3	174.3	-66.5	-82.2	0	0	0	109.9	I599 Y600 G601 S602 I665 L667 I824 L890 T901 A904 M905 A908	I599-F892 HydrophobicContact CG2-CD2 4.01Å; I599-F892 HydrophobicContact CG2-CE2 3.92Å; Y600-F892 PolarHBondContact O-N 2.85Å; G601-F892 CarbonylContact C-O 3.59Å; G601-F892 VanDerWaalsContact CA-O 3.26Å; G601-F892 WeakPolarHBondContact CA-O 3.49Å; S602-F892 PolarHBondContact N-O 3.48Å; I665-F892 HydrophobicContact CB-CD1 3.84Å; I665-F892 HydrophobicContact CB-CE1 4.1Å; I665-F892 HydrophobicContact CD1-CD1 3.74Å; I665-F892 HydrophobicContact CD1-CE1 3.28Å; I665-F892 HydrophobicContact CD1-CE2 4.1Å; I665-F892 HydrophobicContact CD1-CG 4.35Å; I665-F892 HydrophobicContact CD1-CZ 3.48Å; I665-F892 VanDerWaalsContact CD1-CZ 3.48Å; I665-F892 HydrophobicContact CG1-CD1 4.44Å; I665-F892 HydrophobicContact CG1-CE1 4.3Å; I665-F892 HydrophobicContact CG2-CD1 3.88Å; I665-F892 HydrophobicContact CG2-CE1 3.95Å; L667-F892 HydrophobicContact CD1-CB 4.14Å; L667-F892 HydrophobicContact CD1-CD1 4.35Å; L667-F892 HydrophobicContact CD2-CD1 4.17Å; L667-F892 HydrophobicContact CG-CD1 4.48Å; I824-F892 HydrophobicContact CD1-CE1 4.29Å; I824-F892 HydrophobicContact CG1-CE1 4.36Å; I824-F892 HydrophobicContact CG2-CE1 4.5Å; I824-F892 HydrophobicContact CG2-CZ 4.2Å; L890-F892 HydrophobicContact CB-CE2 3.99Å; L890-F892 HydrophobicContact CD1-CE2 4.48Å; F892-T901 HydrophobicContact CB-CG2 4.35Å; F892-A904 HydrophobicContact CB-CB 4.42Å; F892-A904 HydrophobicContact CD1-CB 3.58Å; F892-A904 HydrophobicContact CE1-CB 3.96Å; F892-A904 HydrophobicContact CG-CB 4.03Å; F892-M905 HydrophobicContact CD2-CG 4.34Å; F892-A908 HydrophobicContact CE2-CB 3.59Å; F892-A908 HydrophobicContact CZ-CB 3.7Å
893	F	94	Very high	84	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	147	174.4	69.1	-84.6	0	0	0	113	S602 P605 W664 I665 C666 L667 L748 F752 Y805	S602-F893 WeakPolarHBondContact O-CA 3.33Å; S602-F893 WeakPolarHBondContact O-CB 3.33Å; P605-F893 VanDerWaalsContact CD-CD2 3.4Å; P605-F893 HydrophobicContact CG-CD2 4.27Å; P605-F893 HydrophobicContact CG-CE2 4.29Å; P605-F893 HydrophobicContact CG-CG 4.48Å; W664-F893 HydrophobicContact CB-CE1 4.15Å; W664-F893 AromaticContact CE3-CD1 3.77Å; W664-F893 HydrophobicContact CE3-CD1 3.77Å; W664-F893 AromaticContact CE3-CE1 3.91Å; W664-F893 HydrophobicContact CE3-CE1 3.91Å; W664-F893 HydrophobicContact CZ3-CD1 4.39Å; I665-F893 VanDerWaalsContact O-CD1 3.26Å; I665-F893 WeakPolarHBondContact O-CD1 3.47Å; I665-F893 PolarHBondContact O-N 2.63Å; C666-F893 HydrophobicContact CB-CE1 3.85Å; C666-F893 HydrophobicContact CB-CE2 3.77Å; C666-F893 HydrophobicContact CB-CZ 3.35Å; C666-F893 VanDerWaalsContact SG-CE2 3.59Å; L667-F893 WeakPolarHBondContact CB-O 3.49Å; L667-F893 PolarHBondContact N-O 2.6Å; L748-F893 HydrophobicContact CD2-CE2 4.39Å; F752-F893 HydrophobicContact CE2-CE1 4.34Å; F752-F893 HydrophobicContact CE2-CE2 4.38Å; F752-F893 AromaticContact CE2-CZ 3.63Å; F752-F893 HydrophobicContact CE2-CZ 3.63Å; F752-F893 AromaticContact CZ-CE1 3.73Å; F752-F893 HydrophobicContact CZ-CE1 3.73Å; F752-F893 HydrophobicContact CZ-CE2 4.28Å; F752-F893 AromaticContact CZ-CZ 3.43Å; F752-F893 HydrophobicContact CZ-CZ 3.43Å; F752-F893 VanDerWaalsContact CZ-CZ 3.43Å; Y805-F893 HydrophobicContact CE2-CZ 4.01Å
894	C	90.9	Very high	85.8	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.			trans	-134.1	-178.3	168.5	69.4	0	0	0	0	109.7	S602 S603 Q604 L667 R668 T896 G897 R900 T901	S602-C894 PolarHBondContact O-N 2.91Å; S603-C894 CarbonylContact C-O 3.56Å; S603-C894 WeakPolarHBondContact CA-O 3.41Å; Q604-C894 PolarHBondContact N-O 3.12Å; L667-C894 HydrophobicContact CB-CB 4.19Å; R668-C894 HydrophobicContact CG-CB 4.43Å; C894-T896 PolarHBondContact O-N 3.34Å; C894-G897 PolarHBondContact O-N 3.25Å; C894-G897 PolarHBondContact SG-N 3.13Å; C894-R900 HydrophobicContact CB-CB 3.79Å; C894-R900 HydrophobicContact CB-CG 4.3Å; C894-T901 PolarHBondContact N-OG1 2.9Å; C894-T901 PolarHBondContact SG-OG1 3.02Å
895	G	85.9	Confident	87.1	Confident	9 Å²	9	10.9 Å²	10.9	9%	0.093	7%	0.067	C	C	.	.	S	Bend	trans	-47.8	-65.3	177.3	0	0	0	0	0	112	H576 S603 Q604	H576-G895 PolarHBondContact CD2-O 2.98Å; H576-G895 PolarHBondContact CE1-O 2.72Å; H576-G895 PolarHBondContact NE2-O 3.23Å; S603-G895 WeakPolarHBondContact CB-O 3.38Å; Q604-G895 PolarHBondContact N-O 3.48Å; Q604-G895 VanDerWaalsContact N-O 3.17Å
896	T	83.6	Confident	88.3	Confident	36 Å²	36	8.2 Å²	8.2	22%	0.221	5%	0.051	C	C	.	.	S	Bend	trans	-81.4	-19.6	-175.3	58.8	0	0	0	0	114.8	N590 C894 R898 E899	N590-T896 PolarHBondContact ND2-O 3.11Å; C894-T896 PolarHBondContact O-N 3.34Å; T896-R898 VanDerWaalsContact C-N 3.26Å; T896-R898 PolarHBondContact O-N 3.36Å; T896-R898 WeakPolarHBondContact OG1-CB 3.37Å; T896-R898 PolarHBondContact OG1-N 3.42Å; T896-E899 PolarHBondContact OG1-OE2 3.41Å
897	G	84.8	Confident	89.5	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	73.1	14.8	-170.4	0	0	0	0	0	114.9	R592 S602 C894	R592-G897 PolarHBondContact NH1-O 2.84Å; R592-G897 PolarHBondContact NH2-O 3.33Å; S602-G897 WeakPolarHBondContact O-CA 3.11Å; C894-G897 PolarHBondContact O-N 3.25Å; C894-G897 PolarHBondContact SG-N 3.13Å
898	R	83.7	Confident	90.1	Very high	35 Å²	35	5.9 Å²	5.9	13%	0.132	3%	0.031	C	C	.	.	S	Bend	trans	-104.3	-105.6	-172.1	-55.4	175.8	177.4	-140.5	-4.1	111.5	I577 E579 T896 R900 T901 S902 F978	I577-R898 PolarHBondContact O-NH2 3Å; E579-R898 VanDerWaalsContact CG-NH2 3.26Å; E579-R898 IonicContact OE1-CZ 3.37Å; E579-R898 IonicContact OE1-NH1 2.73Å; E579-R898 PolarHBondContact OE1-NH1 3.48Å; E579-R898 IonicContact OE1-NH2 3.44Å; E579-R898 PolarHBondContact OE1-NH2 3.37Å; E579-R898 IonicContact OE2-CZ 3.78Å; E579-R898 IonicContact OE2-NH1 4Å; E579-R898 PolarHBondContact OE2-NH1 3.15Å; E579-R898 IonicContact OE2-NH2 2.83Å; T896-R898 VanDerWaalsContact C-N 3.26Å; T896-R898 PolarHBondContact O-N 3.36Å; T896-R898 WeakPolarHBondContact OG1-CB 3.37Å; T896-R898 PolarHBondContact OG1-N 3.42Å; R898-R900 PolarHBondContact O-N 3.38Å; R898-T901 PolarHBondContact O-N 3.15Å; R898-S902 WeakPolarHBondContact O-CB 3.34Å; R898-S902 PolarHBondContact O-N 3.24Å; R898-S902 PolarHBondContact O-OG 2.66Å; R898-S902 VanDerWaalsContact O-OG 3.12Å; R898-F978 HydrophobicContact CB-CD1 4.06Å; R898-F978 HydrophobicContact CB-CE1 3.54Å; R898-F978 HydrophobicContact CB-CE2 4.49Å; R898-F978 HydrophobicContact CB-CZ 3.8Å; R898-F978 VanDerWaalsContact CD-CE1 3.48Å; R898-F978 VanDerWaalsContact CD-CZ 3.48Å; R898-F978 HydrophobicContact CG-CD1 4.43Å; R898-F978 HydrophobicContact CG-CE1 3.5Å; R898-F978 VanDerWaalsContact CG-CE1 3.5Å; R898-F978 HydrophobicContact CG-CE2 4.07Å; R898-F978 HydrophobicContact CG-CZ 3.27Å
899	E	83.1	Confident	90.3	Very high	27 Å²	27	5.7 Å²	5.7	13%	0.126	3%	0.031	C	C	.	.	H	α-helix	trans	-57.7	-53.6	-164.5	-56.3	88	164	0	0	112.5	Y813 T896 L903 Y1010	Y813-E899 HydrophobicContact CE1-CG 4.45Å; T896-E899 PolarHBondContact OG1-OE2 3.41Å; E899-L903 WeakPolarHBondContact O-CB 3.07Å; E899-L903 PolarHBondContact O-N 3.07Å; E899-Y1010 HydrophobicContact CG-CE1 4.23Å
900	R	89.7	Confident	90.5	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.015	3%	0.031	C	C	.	.	H	α-helix	trans	-62.9	-45.3	179.5	-60.9	-177.7	-148.9	-150.1	5.4	111.9	L667 D669 L810 N812 C894 R898 L903 A904	L667-R900 HydrophobicContact CB-CB 4.26Å; L667-R900 HydrophobicContact CD1-CB 4.26Å; L667-R900 WeakPolarHBondContact CD1-O 3.4Å; L667-R900 PolarHBondContact O-NH1 3.28Å; D669-R900 VanDerWaalsContact N-NH1 3.19Å; D669-R900 IonicContact OD1-CZ 2.96Å; D669-R900 VanDerWaalsContact OD1-CZ 3.29Å; D669-R900 IonicContact OD1-NH1 3.61Å; D669-R900 PolarHBondContact OD1-NH1 3.45Å; D669-R900 IonicContact OD1-NH2 2.64Å; D669-R900 PolarHBondContact OD1-NH2 2.97Å; D669-R900 IonicContact OD2-NH1 3.33Å; L810-R900 HydrophobicContact CD2-CB 3.81Å; L810-R900 HydrophobicContact CD2-CG 4.31Å; L810-R900 WeakPolarHBondContact CD2-O 3.47Å; L810-R900 HydrophobicContact CG-CB 4.46Å; L810-R900 HydrophobicContact CG-CG 4.47Å; L810-R900 WeakPolarHBondContact O-CD 3.33Å; L810-R900 PolarHBondContact O-NH1 2.73Å; N812-R900 PolarHBondContact ND2-NH2 3.31Å; N812-R900 VanDerWaalsContact ND2-NH2 3.14Å; N812-R900 PolarHBondContact OD1-NE 3.49Å; N812-R900 PolarHBondContact OD1-NH2 2.94Å; C894-R900 HydrophobicContact CB-CB 3.79Å; C894-R900 HydrophobicContact CB-CG 4.3Å; R898-R900 PolarHBondContact O-N 3.38Å; R900-L903 PolarHBondContact O-N 3.12Å; R900-A904 PolarHBondContact O-N 2.96Å
901	T	90.4	Very high	90.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65	-45.4	-177	-63.7	0	0	0	0	110.3	S602 F892 C894 R898 L903 A904 M905	S602-T901 PolarHBondContact O-OG1 3.39Å; F892-T901 HydrophobicContact CB-CG2 4.35Å; C894-T901 PolarHBondContact N-OG1 2.9Å; C894-T901 PolarHBondContact SG-OG1 3.02Å; R898-T901 PolarHBondContact O-N 3.15Å; T901-L903 PolarHBondContact O-N 3.15Å; T901-A904 PolarHBondContact O-N 3.47Å; T901-M905 HydrophobicContact CG2-CG 4.38Å; T901-M905 HydrophobicContact CG2-SD 4.06Å; T901-M905 WeakPolarHBondContact O-CB 3.43Å; T901-M905 VanDerWaalsContact O-CG 3.22Å; T901-M905 WeakPolarHBondContact O-CG 2.99Å; T901-M905 PolarHBondContact O-N 2.72Å
902	S	88.5	Confident	90.4	Very high	2 Å²	2	6 Å²	6	1%	0.014	3%	0.032	C	C	.	.	H	α-helix	trans	-61.1	-42.5	175.6	-64.2	0	0	0	0	112.4	R592 R898 M905 A906 Y970	R592-S902 PolarHBondContact NH2-OG 2.98Å; R898-S902 WeakPolarHBondContact O-CB 3.34Å; R898-S902 PolarHBondContact O-N 3.24Å; R898-S902 PolarHBondContact O-OG 2.66Å; R898-S902 VanDerWaalsContact O-OG 3.12Å; S902-M905 PolarHBondContact O-N 2.92Å; S902-A906 WeakPolarHBondContact O-CB 3.38Å; S902-A906 PolarHBondContact O-N 3.07Å; S902-Y970 WeakPolarHBondContact CB-OH 3.49Å
903	L	91	Very high	90.1	Very high	5 Å²	5	6.4 Å²	6.4	3%	0.026	4%	0.035	C	C	.	.	H	α-helix	trans	-62.6	-46.8	177.3	-179.4	59	0	0	0	111.6	L810 P816 E899 R900 T901 A906 I907 R1013 L1017	L810-L903 HydrophobicContact CD1-CD2 4.07Å; L810-L903 HydrophobicContact CD2-CB 4.23Å; L810-L903 HydrophobicContact CD2-CD2 4.05Å; L810-L903 HydrophobicContact CD2-CG 4.35Å; P816-L903 HydrophobicContact CB-CD2 4.16Å; P816-L903 HydrophobicContact CG-CD2 4.41Å; E899-L903 WeakPolarHBondContact O-CB 3.07Å; E899-L903 PolarHBondContact O-N 3.07Å; R900-L903 PolarHBondContact O-N 3.12Å; T901-L903 PolarHBondContact O-N 3.15Å; L903-A906 PolarHBondContact O-N 2.81Å; L903-I907 HydrophobicContact CD1-CD1 4.35Å; L903-I907 HydrophobicContact CG-CD1 4.14Å; L903-I907 VanDerWaalsContact O-CG1 3.31Å; L903-I907 WeakPolarHBondContact O-CG1 3.22Å; L903-I907 PolarHBondContact O-N 3.29Å; L903-R1013 HydrophobicContact CD2-CG 4.02Å; L903-L1017 HydrophobicContact CD1-CD1 3.87Å; L903-L1017 HydrophobicContact CD1-CD2 3.9Å; L903-L1017 HydrophobicContact CD1-CG 3.96Å
904	A	93.6	Very high	89.9	Confident	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.5	-39.3	178.4	0	0	0	0	0	112.6	L667 I824 F892 R900 T901 A906 I907 A908	L667-A904 HydrophobicContact CD1-CB 3.43Å; L667-A904 VanDerWaalsContact CD1-CB 3.43Å; L667-A904 HydrophobicContact CD2-CB 3.83Å; L667-A904 HydrophobicContact CG-CB 4.27Å; I824-A904 HydrophobicContact CD1-CB 4.24Å; F892-A904 HydrophobicContact CB-CB 4.42Å; F892-A904 HydrophobicContact CD1-CB 3.58Å; F892-A904 HydrophobicContact CE1-CB 3.96Å; F892-A904 HydrophobicContact CG-CB 4.03Å; R900-A904 PolarHBondContact O-N 2.96Å; T901-A904 PolarHBondContact O-N 3.47Å; A904-A906 VanDerWaalsContact C-N 3.32Å; A904-A906 PolarHBondContact O-N 3.22Å; A904-I907 PolarHBondContact O-N 3.01Å; A904-A908 WeakPolarHBondContact O-CB 3.13Å; A904-A908 PolarHBondContact O-N 3.18Å
905	M	92.2	Very high	89.7	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.9	-41	172.4	-73.9	178.7	73.6	0	0	111.7	R592 L594 I599 G601 F892 T901 S902 A908 G909	R592-M905 HydrophobicContact CG-CE 4.08Å; R592-M905 HydrophobicContact CG-SD 4.2Å; L594-M905 HydrophobicContact CB-CE 3.91Å; I599-M905 HydrophobicContact CG2-CB 4.38Å; I599-M905 HydrophobicContact CG2-CG 4.14Å; G601-M905 VanDerWaalsContact CA-SD 3.51Å; F892-M905 HydrophobicContact CD2-CG 4.34Å; T901-M905 HydrophobicContact CG2-CG 4.38Å; T901-M905 HydrophobicContact CG2-SD 4.06Å; T901-M905 WeakPolarHBondContact O-CB 3.43Å; T901-M905 VanDerWaalsContact O-CG 3.22Å; T901-M905 WeakPolarHBondContact O-CG 2.99Å; T901-M905 PolarHBondContact O-N 2.72Å; S902-M905 PolarHBondContact O-N 2.92Å; M905-A908 PolarHBondContact O-N 2.91Å; M905-G909 PolarHBondContact O-N 2.71Å
906	A	91.4	Very high	89.7	Confident	1 Å²	1	11.5 Å²	11.5	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-66.4	-43	177.5	0	0	0	0	0	111.9	S902 L903 A904 A908 G909 L910 V965 L966 L1017	S902-A906 WeakPolarHBondContact O-CB 3.38Å; S902-A906 PolarHBondContact O-N 3.07Å; L903-A906 PolarHBondContact O-N 2.81Å; A904-A906 VanDerWaalsContact C-N 3.32Å; A904-A906 PolarHBondContact O-N 3.22Å; A906-A908 VanDerWaalsContact C-N 3.35Å; A906-A908 PolarHBondContact O-N 2.65Å; A906-G909 PolarHBondContact O-N 3.23Å; A906-L910 WeakPolarHBondContact O-CG 3.33Å; A906-L910 PolarHBondContact O-N 3.18Å; A906-V965 HydrophobicContact CB-CG1 4.37Å; A906-V965 WeakPolarHBondContact O-CG1 3.05Å; A906-L966 HydrophobicContact CB-CD2 3.8Å; A906-L1017 HydrophobicContact CB-CD2 4.49Å
907	I	94.5	Very high	89.6	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-48.8	173.8	-66.7	167.1	0	0	0	110	F821 I824 L903 A904 G909 L910 I911 L1017 F1020	F821-I907 HydrophobicContact CD1-CD1 3.69Å; F821-I907 HydrophobicContact CD1-CG1 3.84Å; F821-I907 HydrophobicContact CD1-CG2 3.98Å; F821-I907 HydrophobicContact CE1-CD1 3.49Å; F821-I907 VanDerWaalsContact CE1-CD1 3.49Å; F821-I907 HydrophobicContact CE1-CG1 3.63Å; F821-I907 HydrophobicContact CG-CD1 4.46Å; F821-I907 HydrophobicContact CZ-CD1 4.12Å; I824-I907 HydrophobicContact CB-CG2 4.19Å; I824-I907 HydrophobicContact CD1-CB 4.37Å; I824-I907 HydrophobicContact CD1-CD1 4.29Å; I824-I907 HydrophobicContact CD1-CG2 4.06Å; I824-I907 HydrophobicContact CG2-CG2 3.97Å; L903-I907 HydrophobicContact CD1-CD1 4.35Å; L903-I907 HydrophobicContact CG-CD1 4.14Å; L903-I907 VanDerWaalsContact O-CG1 3.31Å; L903-I907 WeakPolarHBondContact O-CG1 3.22Å; L903-I907 PolarHBondContact O-N 3.29Å; A904-I907 PolarHBondContact O-N 3.01Å; I907-G909 PolarHBondContact O-N 3.13Å; I907-L910 PolarHBondContact O-N 3.49Å; I907-I911 HydrophobicContact CG2-CD1 3.85Å; I907-I911 WeakPolarHBondContact O-CD1 3.27Å; I907-I911 WeakPolarHBondContact O-CG1 3.14Å; I907-I911 PolarHBondContact O-N 2.68Å; I907-I911 VanDerWaalsContact O-N 3.08Å; I907-L1017 HydrophobicContact CG1-CD2 3.83Å; I907-F1020 HydrophobicContact CG2-CD1 4.44Å; I907-F1020 HydrophobicContact CG2-CE1 3.81Å; I907-F1020 HydrophobicContact CG2-CZ 4.31Å
908	A	94.5	Very high	89.3	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-39.8	179.5	0	0	0	0	0	112.5	I599 I824 M828 F892 A904 M905 A906 I911 H912	I599-A908 HydrophobicContact CD1-CB 3.85Å; I599-A908 HydrophobicContact CG1-CB 4.41Å; I599-A908 HydrophobicContact CG2-CB 4.22Å; I824-A908 HydrophobicContact CG2-CB 4.31Å; M828-A908 HydrophobicContact CE-CB 4.39Å; M828-A908 VanDerWaalsContact CE-O 3.27Å; M828-A908 WeakPolarHBondContact CE-O 3.45Å; M828-A908 WeakPolarHBondContact SD-CA 3.17Å; M828-A908 HydrophobicContact SD-CB 3.61Å; M828-A908 VanDerWaalsContact SD-O 3.41Å; F892-A908 HydrophobicContact CE2-CB 3.59Å; F892-A908 HydrophobicContact CZ-CB 3.7Å; A904-A908 WeakPolarHBondContact O-CB 3.13Å; A904-A908 PolarHBondContact O-N 3.18Å; M905-A908 PolarHBondContact O-N 2.91Å; A906-A908 VanDerWaalsContact C-N 3.35Å; A906-A908 PolarHBondContact O-N 2.65Å; A908-I911 PolarHBondContact O-N 3.32Å; A908-H912 WeakPolarHBondContact O-CB 3.3Å; A908-H912 PolarHBondContact O-N 3.22Å
909	G	92.1	Very high	88.2	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-42	175.6	0	0	0	0	0	112.3	M905 A906 I907 H912 C913	M905-G909 PolarHBondContact O-N 2.71Å; A906-G909 PolarHBondContact O-N 3.23Å; I907-G909 PolarHBondContact O-N 3.13Å; G909-H912 PolarHBondContact O-N 3.17Å; G909-C913 PolarHBondContact O-N 3.02Å; G909-C913 PolarHBondContact O-SG 3.08Å
910	L	93.1	Very high	86.8	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-48.9	174.7	-75.1	169.7	0	0	0	111.5	A906 I907 H912 C913 H914 V962 V965 L1017 F1020 N1021 L1024	A906-L910 WeakPolarHBondContact O-CG 3.33Å; A906-L910 PolarHBondContact O-N 3.18Å; I907-L910 PolarHBondContact O-N 3.49Å; L910-H912 VanDerWaalsContact C-N 3.31Å; L910-H912 PolarHBondContact O-N 3.01Å; L910-C913 PolarHBondContact O-N 2.67Å; L910-H914 PolarHBondContact O-CD2 3.26Å; L910-H914 VanDerWaalsContact O-CD2 3.27Å; L910-H914 PolarHBondContact O-N 3.25Å; L910-V962 HydrophobicContact CD1-CG2 4.2Å; L910-V962 HydrophobicContact CD2-CG2 4.14Å; L910-V965 HydrophobicContact CD2-CB 4.26Å; L910-V965 HydrophobicContact CD2-CG2 3.81Å; L910-V965 HydrophobicContact CG-CB 4.3Å; L910-V965 HydrophobicContact CG-CG1 4.38Å; L910-V965 HydrophobicContact CG-CG2 4.13Å; L910-L1017 HydrophobicContact CD1-CD2 4.1Å; L910-F1020 HydrophobicContact CD1-CD1 4.42Å; L910-N1021 HydrophobicContact CD1-CB 4.43Å; L910-N1021 HydrophobicContact CD2-CB 4.28Å; L910-L1024 HydrophobicContact CB-CD1 3.95Å
911	I	93.7	Very high	85.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-43.6	178.1	-64.3	157.5	0	0	0	110.7	I824 L825 M828 I907 A908 H914 L915 F1020 L1024	I824-I911 HydrophobicContact CB-CD1 4.49Å; I824-I911 HydrophobicContact CG2-CD1 3.84Å; L825-I911 HydrophobicContact CB-CD1 4.08Å; L825-I911 HydrophobicContact CD1-CD1 4.28Å; L825-I911 HydrophobicContact CD1-CG1 4.04Å; L825-I911 HydrophobicContact CD1-CG2 3.78Å; M828-I911 HydrophobicContact CB-CG2 3.84Å; M828-I911 HydrophobicContact CE-CB 4.25Å; M828-I911 HydrophobicContact CE-CG2 4.14Å; M828-I911 HydrophobicContact CG-CG2 4.38Å; M828-I911 HydrophobicContact SD-CB 3.67Å; M828-I911 HydrophobicContact SD-CD1 3.9Å; M828-I911 HydrophobicContact SD-CG1 4.42Å; M828-I911 HydrophobicContact SD-CG2 3.74Å; I907-I911 HydrophobicContact CG2-CD1 3.85Å; I907-I911 WeakPolarHBondContact O-CD1 3.27Å; I907-I911 WeakPolarHBondContact O-CG1 3.14Å; I907-I911 PolarHBondContact O-N 2.68Å; I907-I911 VanDerWaalsContact O-N 3.08Å; A908-I911 PolarHBondContact O-N 3.32Å; I911-H914 PolarHBondContact O-N 3.3Å; I911-L915 HydrophobicContact CG2-CD1 3.9Å; I911-L915 HydrophobicContact CG2-CG 4.37Å; I911-L915 VanDerWaalsContact O-CG 3.32Å; I911-L915 WeakPolarHBondContact O-CG 3.11Å; I911-L915 PolarHBondContact O-N 3.45Å; I911-F1020 HydrophobicContact CD1-CE1 4.14Å; I911-F1020 HydrophobicContact CD1-CZ 4.01Å; I911-F1020 HydrophobicContact CG1-CE1 3.86Å; I911-F1020 HydrophobicContact CG1-CZ 3.89Å; I911-L1024 HydrophobicContact CG1-CD1 4.24Å; I911-L1024 HydrophobicContact CG1-CD2 4.28Å
912	H	91.2	Very high	83.7	Confident	5 Å²	5	25 Å²	25	2%	0.023	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-49.5	176.9	-177.4	-74	0	0	0	112	L597 I599 M828 T839 A908 G909 L910 H914 L915 F916	L597-H912 HydrophobicContact CD1-CB 4.22Å; L597-H912 WeakPolarHBondContact CD2-CE1 3.35Å; I599-H912 HydrophobicContact CD1-CB 4.21Å; M828-H912 HydrophobicContact CE-CB 3.95Å; T839-H912 PolarHBondContact OG1-NE2 2.98Å; A908-H912 WeakPolarHBondContact O-CB 3.3Å; A908-H912 PolarHBondContact O-N 3.22Å; G909-H912 PolarHBondContact O-N 3.17Å; L910-H912 VanDerWaalsContact C-N 3.31Å; L910-H912 PolarHBondContact O-N 3.01Å; H912-H914 PolarHBondContact O-N 2.89Å; H912-L915 PolarHBondContact O-N 3.23Å; H912-F916 AromaticContact CD2-CD2 3.62Å; H912-F916 AromaticContact CD2-CE2 3.71Å; H912-F916 AromaticContact CE1-CD2 3.48Å; H912-F916 VanDerWaalsContact CE1-CD2 3.48Å; H912-F916 WeakPolarHBondContact CE1-CD2 3.49Å; H912-F916 AromaticContact CG-CD2 3.88Å; H912-F916 AromaticContact ND1-CD2 3.82Å; H912-F916 AromaticContact NE2-CD2 3.35Å; H912-F916 WeakPolarHBondContact NE2-CD2 3.36Å; H912-F916 AromaticContact NE2-CE2 3.74Å; H912-F916 WeakPolarHBondContact O-CD2 3.22Å; H912-F916 PolarHBondContact O-N 3.05Å
913	C	89.8	Confident	82.3	Confident	8 Å²	8	31.9 Å²	31.9	5%	0.054	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-33.8	177.5	-70.4	0	0	0	0	112.5	G909 L910 G917 F918	G909-C913 PolarHBondContact O-N 3.02Å; G909-C913 PolarHBondContact O-SG 3.08Å; L910-C913 PolarHBondContact O-N 2.67Å; C913-G917 CarbonylContact O-C 3.53Å; C913-G917 WeakPolarHBondContact O-CA 3.07Å; C913-G917 PolarHBondContact O-N 2.75Å; C913-F918 HydrophobicContact CB-CD1 3.71Å; C913-F918 HydrophobicContact CB-CD2 3.98Å; C913-F918 HydrophobicContact CB-CE1 3.46Å; C913-F918 VanDerWaalsContact CB-CE1 3.46Å; C913-F918 HydrophobicContact CB-CE2 3.75Å; C913-F918 HydrophobicContact CB-CG 3.96Å; C913-F918 HydrophobicContact CB-CZ 3.47Å; C913-F918 VanDerWaalsContact CB-CZ 3.47Å
914	H	89.5	Confident	80.7	Confident	6 Å²	6	36 Å²	36	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-74.5	-27.6	174.7	-87.9	-83.6	0	0	0	114	L910 I911 H912 N1021 L1024 H1025 Q1028 W1032	L910-H914 PolarHBondContact O-CD2 3.26Å; L910-H914 VanDerWaalsContact O-CD2 3.27Å; L910-H914 PolarHBondContact O-N 3.25Å; I911-H914 PolarHBondContact O-N 3.3Å; H912-H914 PolarHBondContact O-N 2.89Å; H914-N1021 PolarHBondContact NE2-OD1 2.93Å; H914-L1024 VanDerWaalsContact CD2-CD1 3.47Å; H914-L1024 WeakPolarHBondContact CD2-CD1 3.43Å; H914-L1024 WeakPolarHBondContact NE2-CB 3.09Å; H914-H1025 AromaticContact CE1-CD2 3.43Å; H914-H1025 PolarHBondContact CE1-CD2 3.34Å; H914-H1025 VanDerWaalsContact CE1-CD2 3.43Å; H914-H1025 AromaticContact CE1-CE1 3.66Å; H914-H1025 AromaticContact CE1-CG 3.62Å; H914-H1025 AromaticContact CE1-ND1 3.81Å; H914-H1025 AromaticContact CE1-NE2 3.46Å; H914-H1025 PolarHBondContact CE1-NE2 3.04Å; H914-H1025 AromaticContact NE2-CD2 3.82Å; H914-H1025 AromaticContact NE2-NE2 3.81Å; H914-Q1028 PolarHBondContact O-NE2 2.91Å; H914-W1032 HydrophobicContact CB-CZ2 4.14Å
915	L	87.6	Confident	78.7	Confident	43 Å²	43	45 Å²	45	23%	0.225	23%	0.226	C	C	.	.	H	α-helix	trans	-79.2	-39.4	177.5	-72.2	171.2	0	0	0	112.8	L829 A832 I911 H912 W1032	L829-L915 HydrophobicContact CD2-CD2 3.7Å; A832-L915 HydrophobicContact CB-CD1 4.32Å; I911-L915 HydrophobicContact CG2-CD1 3.9Å; I911-L915 HydrophobicContact CG2-CG 4.37Å; I911-L915 VanDerWaalsContact O-CG 3.32Å; I911-L915 WeakPolarHBondContact O-CG 3.11Å; I911-L915 PolarHBondContact O-N 3.45Å; H912-L915 PolarHBondContact O-N 3.23Å; L915-W1032 HydrophobicContact CD2-CH2 3.65Å; L915-W1032 HydrophobicContact CD2-CZ3 3.62Å; L915-W1032 HydrophobicContact CG-CH2 4.42Å
916	F	85.3	Confident	77	Confident	67 Å²	67	48.9 Å²	48.9	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-120.8	-4.1	-170	-50.3	-58.4	0	0	0	114.4	A832 L835 L836 H912	A832-F916 HydrophobicContact CB-CZ 4.35Å; A832-F916 VanDerWaalsContact O-CZ 3.23Å; A832-F916 WeakPolarHBondContact O-CZ 3.48Å; L835-F916 HydrophobicContact CB-CE2 4.14Å; L835-F916 HydrophobicContact CB-CZ 4.32Å; L836-F916 HydrophobicContact CB-CD1 4.1Å; L836-F916 HydrophobicContact CB-CE1 3.55Å; L836-F916 HydrophobicContact CB-CZ 3.79Å; L836-F916 HydrophobicContact CD1-CD1 3.63Å; L836-F916 HydrophobicContact CD1-CE1 4.02Å; L836-F916 HydrophobicContact CD1-CG 4.04Å; L836-F916 HydrophobicContact CD2-CD1 4.25Å; L836-F916 HydrophobicContact CD2-CE1 4.12Å; L836-F916 HydrophobicContact CG-CD1 4.19Å; L836-F916 HydrophobicContact CG-CE1 4.08Å; H912-F916 AromaticContact CD2-CD2 3.62Å; H912-F916 AromaticContact CD2-CE2 3.71Å; H912-F916 AromaticContact CE1-CD2 3.48Å; H912-F916 VanDerWaalsContact CE1-CD2 3.48Å; H912-F916 WeakPolarHBondContact CE1-CD2 3.49Å; H912-F916 AromaticContact CG-CD2 3.88Å; H912-F916 AromaticContact ND1-CD2 3.82Å; H912-F916 AromaticContact NE2-CD2 3.35Å; H912-F916 WeakPolarHBondContact NE2-CD2 3.36Å; H912-F916 AromaticContact NE2-CE2 3.74Å; H912-F916 WeakPolarHBondContact O-CD2 3.22Å; H912-F916 PolarHBondContact O-N 3.05Å
917	G	81.7	Confident	75.2	Confident	38 Å²	38	53.9 Å²	53.9	39%	0.392	27%	0.268	S	S	.	.			trans	94.9	154	-178.5	0	0	0	0	0	113.3	C913	C913-G917 CarbonylContact O-C 3.53Å; C913-G917 WeakPolarHBondContact O-CA 3.07Å; C913-G917 PolarHBondContact O-N 2.75Å
918	F	78.5	Confident	73.2	Confident	34 Å²	34	61.7 Å²	61.7	15%	0.149	30%	0.304	C	S	.	.			trans	-78.7	126.7	172.2	-70.1	-96.5	0	0	0	109.9	C913 Y922 E961 Y964	C913-F918 HydrophobicContact CB-CD1 3.71Å; C913-F918 HydrophobicContact CB-CD2 3.98Å; C913-F918 HydrophobicContact CB-CE1 3.46Å; C913-F918 VanDerWaalsContact CB-CE1 3.46Å; C913-F918 HydrophobicContact CB-CE2 3.75Å; C913-F918 HydrophobicContact CB-CG 3.96Å; C913-F918 HydrophobicContact CB-CZ 3.47Å; C913-F918 VanDerWaalsContact CB-CZ 3.47Å; F918-Y922 HydrophobicContact CB-CD1 3.53Å; F918-Y922 HydrophobicContact CB-CE1 4.06Å; F918-Y922 HydrophobicContact CB-CG 3.88Å; F918-Y922 HydrophobicContact CG-CG 4.46Å; F918-E961 HydrophobicContact CD1-CG 4.31Å; F918-E961 HydrophobicContact CE1-CB 3.67Å; F918-E961 HydrophobicContact CE1-CG 3.73Å; F918-E961 HydrophobicContact CE2-CG 4.06Å; F918-E961 HydrophobicContact CZ-CB 3.64Å; F918-E961 HydrophobicContact CZ-CG 3.6Å; F918-Y964 AromaticContact CD1-CD1 3.83Å; F918-Y964 HydrophobicContact CD1-CD1 3.83Å; F918-Y964 AromaticContact CD1-CE1 3.99Å; F918-Y964 HydrophobicContact CD1-CE1 3.99Å; F918-Y964 HydrophobicContact CE1-CD1 4.12Å
919	M	60.2	Low	70.8	Confident	84 Å²	84	72.7 Å²	72.7	41%	0.414	35%	0.346	S	S	.	.			trans	-76.2	-47.5	-173.1	-63.7	-173.7	70	0	0	113.6	L843	L843-M919 HydrophobicContact CD1-CE 3.55Å; L843-M919 HydrophobicContact CD1-SD 4.23Å; L843-M919 HydrophobicContact CD2-CE 3.64Å; L843-M919 HydrophobicContact CD2-SD 4.11Å; L843-M919 HydrophobicContact CG-CE 4.24Å
920	F	55	Low	68.8	Low	139 Å²	139	76 Å²	76	61%	0.61	36%	0.362	S	S	*	.	S	Bend	trans	-165.5	153.3	-176.9	-69.3	-76.9	0	0	0	110.1	Y964	F920-Y964 WeakPolarHBondContact O-CE2 3.46Å; F920-Y964 PolarHBondContact O-OH 3.42Å
921	G	54.1	Low	66.2	Low	30 Å²	30	81.4 Å²	81.4	31%	0.309	40%	0.4	S	S	.	.	S	Bend	trans	94	4.6	172.3	0	0	0	0	0	115.7	E926	G921-E926 VanDerWaalsContact CA-OE2 3.23Å; G921-E926 WeakPolarHBondContact CA-OE2 3.39Å; G921-E926 PolarHBondContact N-OE2 3.12Å
922	Y	60.6	Low	64.1	Low	62 Å²	62	86.4 Å²	86.4	24%	0.243	43%	0.426	C	S	.	.			trans	-98.2	-12.6	-177	70.7	-87.3	0	0	0	113.3	F918 Q957	F918-Y922 HydrophobicContact CB-CD1 3.53Å; F918-Y922 HydrophobicContact CB-CE1 4.06Å; F918-Y922 HydrophobicContact CB-CG 3.88Å; F918-Y922 HydrophobicContact CG-CG 4.46Å; Y922-Q957 PolarHBondContact O-NE2 2.88Å; Y922-Q957 PolarHBondContact O-OE1 2.86Å
923	R	58.3	Low	61.9	Low	145 Å²	145	98 Å²	98	55%	0.547	47%	0.47	S	S	.	.	S	Bend	trans	-85.3	150	-176.9	-65.2	-177.8	175.5	-174.5	-0.2	110.5	E925 E926	R923-E925 PolarHBondContact O-N 3.09Å; R923-E926 HydrophobicContact CB-CG 4.29Å; R923-E926 PolarHBondContact O-N 3.09Å
924	V	57.6	Low	60.2	Low	92 Å²	92	101.4 Å²	101.4	56%	0.558	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-50.2	-32.8	178.8	-175.6	0	0	0	0	112.3
925	E	51.6	Low	58.8	Low	189 Å²	189	101.9 Å²	101.9	88%	0.883	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-86.6	-9	-173.4	-49.5	-158.1	-158	0	0	114.1	R923	R923-E925 PolarHBondContact O-N 3.09Å
926	E	55.7	Low	57.8	Low	82 Å²	82	104.4 Å²	104.4	38%	0.383	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-103.2	9.6	-175.1	-63.4	173.7	165	0	0	112.8	G921 R923 E928	G921-E926 VanDerWaalsContact CA-OE2 3.23Å; G921-E926 WeakPolarHBondContact CA-OE2 3.39Å; G921-E926 PolarHBondContact N-OE2 3.12Å; R923-E926 HydrophobicContact CB-CG 4.29Å; R923-E926 PolarHBondContact O-N 3.09Å; E926-E928 PolarHBondContact O-N 2.95Å
927	E	54.3	Low	57	Low	105 Å²	105	101.6 Å²	101.6	49%	0.491	49%	0.489	S	S	.	.			trans	-72.2	122.9	-176	-161.5	178.4	150.6	0	0	111.9	R929 K939	E927-R929 PolarHBondContact O-N 3.27Å; E927-K939 IonicContact OE1-NZ 3.76Å; E927-K939 PolarHBondContact OE1-NZ 3.22Å
928	E	53.1	Low	56.4	Low	164 Å²	164	100.5 Å²	100.5	77%	0.766	48%	0.475	S	S	*	.			trans	-69.6	128.6	177.2	-167.8	169.5	-170.8	0	0	111.2	E926 I930	E926-E928 PolarHBondContact O-N 2.95Å; E928-I930 PolarHBondContact O-N 3.36Å
929	R	43.2	Very low	56.1	Low	232 Å²	232	101.4 Å²	101.4	88%	0.875	48%	0.479	S	S	*	.			trans	-83.9	95.7	179.1	-66.9	-177.2	-176.4	163	1.8	110.4	E927	E927-R929 PolarHBondContact O-N 3.27Å
930	I	51.6	Low	57	Low	70 Å²	70	97.4 Å²	97.4	36%	0.359	46%	0.459	S	S	.	.			trans	-77	126.6	168.7	-58.2	164.4	0	0	0	109.4	E928 L932	E928-I930 PolarHBondContact O-N 3.36Å; I930-L932 HydrophobicContact CG2-CD1 4.5Å
931	S	36.9	Very low	58.4	Low	114 Å²	114	94 Å²	94	80%	0.797	45%	0.445	S	S	*	.			trans	-117.3	90.6	177.7	55.9	0	0	0	0	111.2
932	L	50	Low	60	Low	106 Å²	106	92.6 Å²	92.6	56%	0.555	43%	0.43	S	S	*	.			trans	-135.8	156.9	170.6	-72.3	170.2	0	0	0	109.8	I930 D934 A935	I930-L932 HydrophobicContact CG2-CD1 4.5Å; L932-D934 PolarHBondContact O-N 2.94Å; L932-A935 HydrophobicContact CB-CB 4.43Å; L932-A935 WeakPolarHBondContact O-CB 2.99Å; L932-A935 PolarHBondContact O-N 3.17Å; L932-A935 VanDerWaalsContact O-N 3.12Å
933	R	44.4	Very low	61.3	Low	248 Å²	248	92.6 Å²	92.6	94%	0.936	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	139.2	166	-103.9	-175.3	-163.1	-132.9	4.4	108.4	A935	R933-A935 PolarHBondContact O-N 2.8Å
934	D	55.8	Low	62.8	Low	80 Å²	80	85.9 Å²	85.9	43%	0.428	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	18.7	-174.6	-64.4	-46.9	0	0	0	115.8	L932 K936 Y937	L932-D934 PolarHBondContact O-N 2.94Å; D934-K936 PolarHBondContact O-N 2.92Å; D934-Y937 HydrophobicContact CB-CD2 4.16Å; D934-Y937 PolarHBondContact O-N 2.84Å
935	A	59.4	Low	64.5	Low	15 Å²	15	81.5 Å²	81.5	12%	0.124	38%	0.382	C	S	.	.	H	α-helix	trans	-54.7	-15.9	177.5	0	0	0	0	0	115	L932 R933 Y937 T938 K939	L932-A935 HydrophobicContact CB-CB 4.43Å; L932-A935 WeakPolarHBondContact O-CB 2.99Å; L932-A935 PolarHBondContact O-N 3.17Å; L932-A935 VanDerWaalsContact O-N 3.12Å; R933-A935 PolarHBondContact O-N 2.8Å; A935-Y937 VanDerWaalsContact C-N 3.26Å; A935-Y937 PolarHBondContact O-N 3.06Å; A935-T938 WeakPolarHBondContact CA-OG1 3.4Å; A935-T938 PolarHBondContact O-OG1 3.48Å; A935-K939 WeakPolarHBondContact O-CG 3.35Å; A935-K939 PolarHBondContact O-N 2.82Å; A935-K939 VanDerWaalsContact O-N 3.16Å
936	K	66.4	Low	66.3	Low	96 Å²	96	76.1 Å²	76.1	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-56.1	-40.8	169.2	53.2	168.1	164.4	163.9	0	111.9	D934 K939 G940 E941	D934-K936 PolarHBondContact O-N 2.92Å; K936-K939 PolarHBondContact O-N 2.83Å; K936-G940 PolarHBondContact O-N 2.92Å; K936-E941 HydrophobicContact CB-CB 4.32Å; K936-E941 WeakPolarHBondContact O-CB 3.32Å; K936-E941 WeakPolarHBondContact O-CG 3.24Å; K936-E941 PolarHBondContact O-N 2.82Å
937	Y	69.5	Low	68.1	Low	8 Å²	8	76.8 Å²	76.8	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-82	-30.9	-175.7	-58.4	-62.3	0	0	0	112.5	D934 A935 K939 G940 F942 Y985 F1061	D934-Y937 HydrophobicContact CB-CD2 4.16Å; D934-Y937 PolarHBondContact O-N 2.84Å; A935-Y937 VanDerWaalsContact C-N 3.26Å; A935-Y937 PolarHBondContact O-N 3.06Å; Y937-K939 PolarHBondContact O-N 3.42Å; Y937-G940 WeakPolarHBondContact O-CA 3.39Å; Y937-G940 PolarHBondContact O-N 3.43Å; Y937-F942 AromaticContact CD1-CD1 3.9Å; Y937-F942 HydrophobicContact CD1-CD1 3.9Å; Y937-F942 AromaticContact CD1-CE1 3.73Å; Y937-F942 HydrophobicContact CD1-CE1 3.73Å; Y937-F942 HydrophobicContact CE1-CD1 4.38Å; Y937-F942 HydrophobicContact CG-CE1 4.41Å; Y937-Y985 AromaticContact CD2-CD2 3.89Å; Y937-Y985 HydrophobicContact CD2-CD2 3.89Å; Y937-Y985 AromaticContact CD2-CE2 3.65Å; Y937-Y985 HydrophobicContact CD2-CE2 3.65Å; Y937-Y985 HydrophobicContact CE2-CE2 4.21Å; Y937-Y985 AromaticContact CG-CD2 3.86Å; Y937-Y985 HydrophobicContact CG-CD2 3.86Å; Y937-Y985 HydrophobicContact CG-CE2 4.12Å; Y937-F1061 HydrophobicContact CD1-CZ 4.18Å; Y937-F1061 HydrophobicContact CD2-CZ 4.15Å; Y937-F1061 HydrophobicContact CE1-CE1 4.34Å; Y937-F1061 HydrophobicContact CE1-CE2 4.16Å; Y937-F1061 AromaticContact CE1-CZ 3.52Å; Y937-F1061 HydrophobicContact CE1-CZ 3.52Å; Y937-F1061 AromaticContact CE2-CE1 3.9Å; Y937-F1061 HydrophobicContact CE2-CE1 3.9Å; Y937-F1061 AromaticContact CE2-CZ 3.49Å; Y937-F1061 HydrophobicContact CE2-CZ 3.49Å; Y937-F1061 VanDerWaalsContact CE2-CZ 3.49Å; Y937-F1061 HydrophobicContact CG-CZ 4.47Å; Y937-F1061 AromaticContact CZ-CE1 3.58Å; Y937-F1061 AromaticContact CZ-CZ 3.13Å; Y937-F1061 WeakPolarHBondContact OH-CE1 3.33Å; Y937-F1061 VanDerWaalsContact OH-CZ 3.22Å; Y937-F1061 WeakPolarHBondContact OH-CZ 3.4Å
938	T	69.1	Low	69.9	Low	16 Å²	16	71.8 Å²	71.8	10%	0.098	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-28.4	170.3	62.2	0	0	0	0	111.7	A935 G940 R981 E982	A935-T938 WeakPolarHBondContact CA-OG1 3.4Å; A935-T938 PolarHBondContact O-OG1 3.48Å; T938-G940 PolarHBondContact O-N 3.39Å; T938-R981 WeakPolarHBondContact O-CB 3.44Å; T938-R981 WeakPolarHBondContact O-CD 3.47Å; T938-R981 PolarHBondContact O-NH1 3.17Å; T938-E982 HydrophobicContact CG2-CG 4.23Å
939	K	71.8	Confident	71.7	Confident	52 Å²	52	64.5 Å²	64.5	23%	0.226	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.1	167.6	-70.3	-173.7	173.5	-149.6	0	114.7	E927 A935 K936 Y937 E941 K959 R981	E927-K939 IonicContact OE1-NZ 3.76Å; E927-K939 PolarHBondContact OE1-NZ 3.22Å; A935-K939 WeakPolarHBondContact O-CG 3.35Å; A935-K939 PolarHBondContact O-N 2.82Å; A935-K939 VanDerWaalsContact O-N 3.16Å; K936-K939 PolarHBondContact O-N 2.83Å; Y937-K939 PolarHBondContact O-N 3.42Å; K939-E941 VanDerWaalsContact C-N 3.31Å; K939-E941 HydrophobicContact CB-CG 4.07Å; K939-E941 PolarHBondContact O-N 3.06Å; K939-K959 PolarHBondContact O-NZ 2.9Å; K939-R981 VanDerWaalsContact C-CD 3.46Å
940	G	79.5	Confident	74	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	27.8	-178	0	0	0	0	0	113.7	K936 Y937 T938 F942	K936-G940 PolarHBondContact O-N 2.92Å; Y937-G940 WeakPolarHBondContact O-CA 3.39Å; Y937-G940 PolarHBondContact O-N 3.43Å; T938-G940 PolarHBondContact O-N 3.39Å; G940-F942 PolarHBondContact O-N 3.01Å
941	E	82.7	Confident	75.9	Confident	67 Å²	67	62.5 Å²	62.5	31%	0.313	29%	0.292	S	S	.	.			trans	-80.1	54.5	-179.2	-66.9	-164.8	-176	0	0	114	K936 K939 K946	K936-E941 HydrophobicContact CB-CB 4.32Å; K936-E941 WeakPolarHBondContact O-CB 3.32Å; K936-E941 WeakPolarHBondContact O-CG 3.24Å; K936-E941 PolarHBondContact O-N 2.82Å; K939-E941 VanDerWaalsContact C-N 3.31Å; K939-E941 HydrophobicContact CB-CG 4.07Å; K939-E941 PolarHBondContact O-N 3.06Å; E941-K946 WeakPolarHBondContact OE2-CE 3.35Å; E941-K946 IonicContact OE2-NZ 2.72Å; E941-K946 PolarHBondContact OE2-NZ 2.8Å
942	F	87.9	Confident	78.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.009	26%	0.258	C	S	.	.			trans	-76.2	145.9	172.4	-53.1	-75.6	0	0	0	110.8	Y937 G940 I944 I945 K946 I984 L1011 F1058	Y937-F942 AromaticContact CD1-CD1 3.9Å; Y937-F942 HydrophobicContact CD1-CD1 3.9Å; Y937-F942 AromaticContact CD1-CE1 3.73Å; Y937-F942 HydrophobicContact CD1-CE1 3.73Å; Y937-F942 HydrophobicContact CE1-CD1 4.38Å; Y937-F942 HydrophobicContact CG-CE1 4.41Å; G940-F942 PolarHBondContact O-N 3.01Å; F942-I944 PolarHBondContact O-N 3.39Å; F942-I945 HydrophobicContact CB-CB 4.39Å; F942-I945 HydrophobicContact CB-CG1 4.05Å; F942-I945 HydrophobicContact CD2-CG1 4.19Å; F942-I945 WeakPolarHBondContact O-CB 3.42Å; F942-I945 PolarHBondContact O-N 3.25Å; F942-K946 PolarHBondContact O-N 3.45Å; F942-I984 HydrophobicContact CE1-CG2 3.94Å; F942-I984 HydrophobicContact CE2-CB 4.19Å; F942-I984 HydrophobicContact CE2-CD1 3.76Å; F942-I984 HydrophobicContact CE2-CG2 3.85Å; F942-I984 HydrophobicContact CZ-CB 3.86Å; F942-I984 HydrophobicContact CZ-CD1 4.33Å; F942-I984 HydrophobicContact CZ-CG2 3.4Å; F942-L1011 HydrophobicContact CB-CD1 4.1Å; F942-L1011 HydrophobicContact CD1-CD1 4.5Å; F942-L1011 HydrophobicContact CD2-CD1 3.36Å; F942-L1011 HydrophobicContact CE2-CD1 3.87Å; F942-L1011 HydrophobicContact CG-CD1 3.73Å; F942-F1058 AromaticContact CD1-CD1 3.99Å; F942-F1058 HydrophobicContact CD1-CD1 3.99Å; F942-F1058 AromaticContact CD1-CE1 3.88Å; F942-F1058 HydrophobicContact CD1-CE1 3.88Å; F942-F1058 HydrophobicContact CE1-CD1 4.25Å; F942-F1058 AromaticContact CE1-CE1 3.83Å; F942-F1058 HydrophobicContact CE1-CE1 3.83Å
943	I	89.2	Confident	80.1	Confident	62 Å²	62	57.6 Å²	57.6	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-53.9	-43.3	179.7	-81.6	173.5	0	0	0	110.4	I945 K946 K947 E1060	I943-I945 VanDerWaalsContact C-N 3.33Å; I943-I945 PolarHBondContact O-N 2.77Å; I943-K946 WeakPolarHBondContact O-CB 3.48Å; I943-K946 PolarHBondContact O-N 2.75Å; I943-K947 HydrophobicContact CG2-CD 4.27Å; I943-K947 HydrophobicContact CG2-CG 4.47Å; I943-K947 WeakPolarHBondContact O-CG 3.4Å; I943-K947 PolarHBondContact O-N 3.13Å; I943-E1060 WeakPolarHBondContact CA-OE1 3.3Å; I943-E1060 VanDerWaalsContact CB-OE1 3.22Å; I943-E1060 WeakPolarHBondContact CB-OE1 3.47Å; I943-E1060 HydrophobicContact CD1-CG 3.47Å; I943-E1060 VanDerWaalsContact CD1-CG 3.47Å; I943-E1060 HydrophobicContact CG1-CG 3.84Å; I943-E1060 WeakPolarHBondContact CG1-OE1 3.28Å; I943-E1060 PolarHBondContact N-OE1 3.09Å
944	I	90.1	Very high	82.1	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-43	179.6	-61.8	-170.5	0	0	0	111	F942 K947 L948 F1015 L1052 F1056 G1057 P1059	F942-I944 PolarHBondContact O-N 3.39Å; I944-K947 PolarHBondContact O-N 3.44Å; I944-L948 PolarHBondContact O-N 3.28Å; I944-F1015 HydrophobicContact CG2-CD2 4.19Å; I944-F1015 HydrophobicContact CG2-CE2 4.2Å; I944-L1052 HydrophobicContact CG2-CB 4.39Å; I944-F1056 HydrophobicContact CD1-CB 4.47Å; I944-F1056 HydrophobicContact CD1-CD2 3.91Å; I944-F1056 HydrophobicContact CD1-CE2 4.43Å; I944-F1056 HydrophobicContact CD1-CG 4.15Å; I944-F1056 HydrophobicContact CG2-CD2 3.87Å; I944-F1056 HydrophobicContact CG2-CE2 3.76Å; I944-G1057 WeakPolarHBondContact CD1-O 3.34Å; I944-P1059 HydrophobicContact CG1-CG 4.48Å
945	I	92	Very high	83.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-40	176.4	-59.3	-61.6	0	0	0	110.6	F942 I943 K947 L948 I949 K959 L1011 Y1014 F1015 I1018	F942-I945 HydrophobicContact CB-CB 4.39Å; F942-I945 HydrophobicContact CB-CG1 4.05Å; F942-I945 HydrophobicContact CD2-CG1 4.19Å; F942-I945 WeakPolarHBondContact O-CB 3.42Å; F942-I945 PolarHBondContact O-N 3.25Å; I943-I945 VanDerWaalsContact C-N 3.33Å; I943-I945 PolarHBondContact O-N 2.77Å; I945-K947 VanDerWaalsContact C-N 3.34Å; I945-K947 PolarHBondContact O-N 2.68Å; I945-L948 PolarHBondContact O-N 2.82Å; I945-I949 HydrophobicContact CG2-CD1 4.1Å; I945-I949 HydrophobicContact CG2-CG1 4.44Å; I945-I949 WeakPolarHBondContact O-CG1 3.41Å; I945-I949 PolarHBondContact O-N 3.46Å; I945-K959 HydrophobicContact CG2-CD 4.28Å; I945-L1011 HydrophobicContact CD1-CD1 4.27Å; I945-L1011 HydrophobicContact CG1-CD1 4.01Å; I945-Y1014 HydrophobicContact CD1-CD1 3.72Å; I945-Y1014 HydrophobicContact CD1-CE1 4.08Å; I945-Y1014 HydrophobicContact CG1-CD1 3.92Å; I945-Y1014 HydrophobicContact CG1-CE1 3.95Å; I945-Y1014 HydrophobicContact CG2-CE1 3.9Å; I945-F1015 HydrophobicContact CD1-CB 4.15Å; I945-F1015 HydrophobicContact CD1-CD2 4.23Å; I945-I1018 HydrophobicContact CD1-CD1 4.17Å; I945-I1018 HydrophobicContact CG2-CD1 3.77Å
946	K	90.7	Very high	85.1	Confident	75 Å²	75	55 Å²	55	33%	0.326	25%	0.25	S	C	.	.	H	α-helix	trans	-61.9	-39.1	173.6	-73.7	179.3	172.7	166.7	0	112.3	E941 F942 I943 R950	E941-K946 WeakPolarHBondContact OE2-CE 3.35Å; E941-K946 IonicContact OE2-NZ 2.72Å; E941-K946 PolarHBondContact OE2-NZ 2.8Å; F942-K946 PolarHBondContact O-N 3.45Å; I943-K946 WeakPolarHBondContact O-CB 3.48Å; I943-K946 PolarHBondContact O-N 2.75Å; K946-R950 WeakPolarHBondContact O-CG 3.39Å; K946-R950 PolarHBondContact O-N 3.14Å
947	K	91.9	Very high	86.1	Confident	96 Å²	96	52.4 Å²	52.4	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-47.5	173.7	-72.5	-179.7	179.8	-175.9	0	110.7	I943 I944 I945 I949 R950 M951 L1052	I943-K947 HydrophobicContact CG2-CD 4.27Å; I943-K947 HydrophobicContact CG2-CG 4.47Å; I943-K947 WeakPolarHBondContact O-CG 3.4Å; I943-K947 PolarHBondContact O-N 3.13Å; I944-K947 PolarHBondContact O-N 3.44Å; I945-K947 VanDerWaalsContact C-N 3.34Å; I945-K947 PolarHBondContact O-N 2.68Å; K947-I949 PolarHBondContact O-N 3.14Å; K947-R950 PolarHBondContact O-N 2.72Å; K947-R950 VanDerWaalsContact O-N 3.14Å; K947-M951 WeakPolarHBondContact O-CG 3.38Å; K947-M951 PolarHBondContact O-N 2.96Å; K947-L1052 HydrophobicContact CB-CD1 3.93Å; K947-L1052 HydrophobicContact CB-CD2 3.87Å; K947-L1052 HydrophobicContact CD-CD2 3.7Å; K947-L1052 HydrophobicContact CG-CD2 4.44Å
948	L	92.8	Very high	87.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-56.1	-48.4	176.4	177.1	64.8	0	0	0	111.9	I944 I945 R950 M951 L952 F1015 I1018 L1019 F1049 L1052	I944-L948 PolarHBondContact O-N 3.28Å; I945-L948 PolarHBondContact O-N 2.82Å; L948-R950 PolarHBondContact O-N 3.18Å; L948-M951 WeakPolarHBondContact O-CB 3.26Å; L948-M951 PolarHBondContact O-N 2.98Å; L948-L952 HydrophobicContact CD1-CD1 3.91Å; L948-L952 HydrophobicContact CD1-CG 4.1Å; L948-L952 HydrophobicContact CD2-CD1 4.39Å; L948-L952 HydrophobicContact CG-CD1 3.87Å; L948-L952 HydrophobicContact CG-CG 4.41Å; L948-L952 WeakPolarHBondContact O-CG 3.29Å; L948-L952 PolarHBondContact O-N 3.34Å; L948-L952 VanDerWaalsContact O-N 3.13Å; L948-F1015 HydrophobicContact CB-CD2 4.39Å; L948-F1015 HydrophobicContact CB-CE2 3.97Å; L948-F1015 HydrophobicContact CD1-CE2 3.96Å; L948-F1015 HydrophobicContact CD1-CZ 3.95Å; L948-F1015 HydrophobicContact CD2-CD2 3.61Å; L948-F1015 HydrophobicContact CD2-CE2 3.7Å; L948-F1015 HydrophobicContact CD2-CG 4.03Å; L948-F1015 HydrophobicContact CD2-CZ 4.21Å; L948-F1015 HydrophobicContact CG-CD2 4.43Å; L948-F1015 HydrophobicContact CG-CE2 4.07Å; L948-I1018 HydrophobicContact CD2-CB 3.99Å; L948-I1018 HydrophobicContact CD2-CD1 4.43Å; L948-I1018 HydrophobicContact CD2-CG2 3.74Å; L948-I1018 HydrophobicContact CG-CG2 4.4Å; L948-L1019 HydrophobicContact CD1-CD2 3.85Å; L948-L1019 HydrophobicContact CD1-CG 4.43Å; L948-F1049 HydrophobicContact CD1-CB 4.31Å; L948-L1052 HydrophobicContact CB-CD1 4.17Å
949	I	91.6	Very high	88.2	Confident	10 Å²	10	52.6 Å²	52.6	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-55.8	-40.4	178.3	-71.8	165	0	0	0	112	I945 K947 M951 L952 G955 H956 K959	I945-I949 HydrophobicContact CG2-CD1 4.1Å; I945-I949 HydrophobicContact CG2-CG1 4.44Å; I945-I949 WeakPolarHBondContact O-CG1 3.41Å; I945-I949 PolarHBondContact O-N 3.46Å; K947-I949 PolarHBondContact O-N 3.14Å; I949-M951 VanDerWaalsContact C-N 3.26Å; I949-M951 PolarHBondContact O-N 3.07Å; I949-L952 PolarHBondContact O-N 2.82Å; I949-G955 WeakPolarHBondContact O-CA 3.36Å; I949-H956 HydrophobicContact CG2-CB 4.46Å; I949-K959 HydrophobicContact CD1-CB 4.25Å; I949-K959 HydrophobicContact CD1-CD 3.34Å; I949-K959 HydrophobicContact CD1-CG 4.4Å; I949-K959 HydrophobicContact CG1-CB 4.3Å; I949-K959 HydrophobicContact CG1-CD 4.2Å
950	R	91.2	Very high	88.9	Confident	194 Å²	194	53 Å²	53	73%	0.732	24%	0.239	S	C	*	.	H	α-helix	trans	-70	-24.6	179.6	-71.4	170.4	179.3	154.3	-1.7	112.7	K946 K947 L948	K946-R950 WeakPolarHBondContact O-CG 3.39Å; K946-R950 PolarHBondContact O-N 3.14Å; K947-R950 PolarHBondContact O-N 2.72Å; K947-R950 VanDerWaalsContact O-N 3.14Å; L948-R950 PolarHBondContact O-N 3.18Å
951	M	90.5	Very high	89.3	Confident	66 Å²	66	53.4 Å²	53.4	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-84.5	-22.9	178.3	-63.9	171.5	72.4	0	0	112.7	K947 L948 I949 V1047 Y1048 F1049 L1052	K947-M951 WeakPolarHBondContact O-CG 3.38Å; K947-M951 PolarHBondContact O-N 2.96Å; L948-M951 WeakPolarHBondContact O-CB 3.26Å; L948-M951 PolarHBondContact O-N 2.98Å; I949-M951 VanDerWaalsContact C-N 3.26Å; I949-M951 PolarHBondContact O-N 3.07Å; M951-V1047 HydrophobicContact CB-CG1 4.04Å; M951-V1047 HydrophobicContact CE-CG1 3.71Å; M951-Y1048 VanDerWaalsContact CE-C 3.48Å; M951-F1049 HydrophobicContact CE-CB 4.27Å; M951-L1052 HydrophobicContact SD-CD1 3.59Å; M951-L1052 VanDerWaalsContact SD-CD1 3.59Å; M951-L1052 HydrophobicContact SD-CG 4.13Å
952	L	89.5	Confident	89.7	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.089	23%	0.226	C	C	.	.	S	Bend	trans	-93.1	140.6	-177.2	-66.9	174.2	0	0	0	112.7	L948 I949 R954 G955 I958 I1018 L1019 A1022	L948-L952 HydrophobicContact CD1-CD1 3.91Å; L948-L952 HydrophobicContact CD1-CG 4.1Å; L948-L952 HydrophobicContact CD2-CD1 4.39Å; L948-L952 HydrophobicContact CG-CD1 3.87Å; L948-L952 HydrophobicContact CG-CG 4.41Å; L948-L952 WeakPolarHBondContact O-CG 3.29Å; L948-L952 PolarHBondContact O-N 3.34Å; L948-L952 VanDerWaalsContact O-N 3.13Å; I949-L952 PolarHBondContact O-N 2.82Å; L952-R954 PolarHBondContact O-N 2.63Å; L952-G955 PolarHBondContact O-N 3.3Å; L952-I958 HydrophobicContact CB-CD1 4.41Å; L952-I1018 HydrophobicContact CD1-CG2 3.73Å; L952-L1019 HydrophobicContact CD1-CD2 4.42Å; L952-L1019 HydrophobicContact CD2-CD2 4.2Å; L952-A1022 HydrophobicContact CD1-CB 4.22Å; L952-A1022 HydrophobicContact CD2-CB 4.12Å
953	P	86.8	Confident	89.7	Confident	101 Å²	101	51 Å²	51	66%	0.656	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	124.2	174.8	27.4	-33.5	0	0	0	110	G955 I958	P953-G955 PolarHBondContact O-N 3.32Å; P953-I958 WeakPolarHBondContact O-CD1 3.42Å
954	R	85.8	Confident	89.5	Confident	168 Å²	168	49 Å²	49	63%	0.634	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	33	-172.5	-51.9	178	-67.9	173.9	3.7	112.9	L952 H956 Q957 I958 H1025	L952-R954 PolarHBondContact O-N 2.63Å; R954-H956 PolarHBondContact O-N 3.02Å; R954-Q957 HydrophobicContact CB-CB 4.29Å; R954-Q957 WeakPolarHBondContact O-CA 3.41Å; R954-Q957 WeakPolarHBondContact O-CB 3.5Å; R954-Q957 PolarHBondContact O-N 2.99Å; R954-I958 PolarHBondContact O-N 3.18Å; R954-I958 VanDerWaalsContact O-N 3.12Å; R954-H1025 PolarHBondContact NH2-ND1 2.6Å
955	G	88.3	Confident	89.3	Confident	3 Å²	3	49 Å²	49	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-53.7	-32.9	-173.8	0	0	0	0	0	115.2	I949 L952 P953 Q957 I958 K959	I949-G955 WeakPolarHBondContact O-CA 3.36Å; L952-G955 PolarHBondContact O-N 3.3Å; P953-G955 PolarHBondContact O-N 3.32Å; G955-Q957 VanDerWaalsContact C-N 3.34Å; G955-Q957 PolarHBondContact O-N 2.7Å; G955-I958 PolarHBondContact O-N 3.17Å; G955-K959 PolarHBondContact O-N 2.91Å
956	H	89.6	Confident	89.1	Confident	117 Å²	117	49 Å²	49	54%	0.542	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-41.4	174.5	-76.1	-72.7	0	0	0	112.1	I949 R954 R960	I949-H956 HydrophobicContact CG2-CB 4.46Å; R954-H956 PolarHBondContact O-N 3.02Å; H956-R960 WeakPolarHBondContact O-CG 3.43Å; H956-R960 PolarHBondContact O-N 3.35Å; H956-R960 VanDerWaalsContact O-N 3.09Å
957	Q	88.6	Confident	88.6	Confident	42 Å²	42	48.8 Å²	48.8	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-43	177.7	-174.6	56.4	31.7	0	0	111.1	Y922 R954 G955 K959 R960 E961	Y922-Q957 PolarHBondContact O-NE2 2.88Å; Y922-Q957 PolarHBondContact O-OE1 2.86Å; R954-Q957 HydrophobicContact CB-CB 4.29Å; R954-Q957 WeakPolarHBondContact O-CA 3.41Å; R954-Q957 WeakPolarHBondContact O-CB 3.5Å; R954-Q957 PolarHBondContact O-N 2.99Å; G955-Q957 VanDerWaalsContact C-N 3.34Å; G955-Q957 PolarHBondContact O-N 2.7Å; Q957-K959 VanDerWaalsContact C-N 3.31Å; Q957-K959 PolarHBondContact O-N 3.39Å; Q957-R960 PolarHBondContact O-N 3.22Å; Q957-R960 VanDerWaalsContact O-N 3.16Å; Q957-E961 PolarHBondContact NE2-OE1 3.39Å; Q957-E961 WeakPolarHBondContact O-CG 3.46Å; Q957-E961 PolarHBondContact O-N 2.85Å
958	I	91.1	Very high	88	Confident	4 Å²	4	47 Å²	47	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-45	176.9	-65.6	171	0	0	0	110.7	L952 P953 R954 G955 V962 I1018 N1021 A1022	L952-I958 HydrophobicContact CB-CD1 4.41Å; P953-I958 WeakPolarHBondContact O-CD1 3.42Å; R954-I958 PolarHBondContact O-N 3.18Å; R954-I958 VanDerWaalsContact O-N 3.12Å; G955-I958 PolarHBondContact O-N 3.17Å; I958-V962 WeakPolarHBondContact O-CG2 3.4Å; I958-V962 PolarHBondContact O-N 3.26Å; I958-I1018 HydrophobicContact CG2-CG2 4.03Å; I958-I1018 WeakPolarHBondContact CG2-O 3.25Å; I958-N1021 HydrophobicContact CG2-CB 3.84Å; I958-N1021 PolarHBondContact O-ND2 3.35Å; I958-A1022 HydrophobicContact CD1-CB 3.78Å; I958-A1022 HydrophobicContact CG2-CB 4.25Å
959	K	90.9	Very high	87.3	Confident	24 Å²	24	47 Å²	47	10%	0.104	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-46.7	175.1	174.9	178.9	178.7	-48	0	111.8	K939 I945 I949 G955 Q957 E961 V962 D963 Y1014	K939-K959 PolarHBondContact O-NZ 2.9Å; I945-K959 HydrophobicContact CG2-CD 4.28Å; I949-K959 HydrophobicContact CD1-CB 4.25Å; I949-K959 HydrophobicContact CD1-CD 3.34Å; I949-K959 HydrophobicContact CD1-CG 4.4Å; I949-K959 HydrophobicContact CG1-CB 4.3Å; I949-K959 HydrophobicContact CG1-CD 4.2Å; G955-K959 PolarHBondContact O-N 2.91Å; Q957-K959 VanDerWaalsContact C-N 3.31Å; Q957-K959 PolarHBondContact O-N 3.39Å; K959-E961 VanDerWaalsContact C-N 3.28Å; K959-E961 PolarHBondContact O-N 2.91Å; K959-V962 WeakPolarHBondContact O-CB 3.34Å; K959-V962 PolarHBondContact O-N 2.9Å; K959-V962 VanDerWaalsContact O-N 3.11Å; K959-D963 WeakPolarHBondContact CG-OD2 3.31Å; K959-D963 IonicContact NZ-OD1 2.94Å; K959-D963 IonicContact NZ-OD2 2.91Å; K959-D963 PolarHBondContact NZ-OD2 3.28Å; K959-D963 PolarHBondContact O-N 2.99Å; K959-Y1014 WeakPolarHBondContact CE-OH 3.27Å; K959-Y1014 PolarHBondContact NZ-OH 2.87Å
960	R	85.5	Confident	86.4	Confident	60 Å²	60	47.3 Å²	47.3	23%	0.226	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-40.4	-179.3	-75.3	-178.5	-156.9	119.8	0.8	112.6	H956 Q957 V962 D963 Y964	H956-R960 WeakPolarHBondContact O-CG 3.43Å; H956-R960 PolarHBondContact O-N 3.35Å; H956-R960 VanDerWaalsContact O-N 3.09Å; Q957-R960 PolarHBondContact O-N 3.22Å; Q957-R960 VanDerWaalsContact O-N 3.16Å; R960-V962 VanDerWaalsContact C-N 3.34Å; R960-D963 PolarHBondContact O-N 3.33Å; R960-Y964 VanDerWaalsContact O-CB 3.29Å; R960-Y964 WeakPolarHBondContact O-CB 3.49Å; R960-Y964 PolarHBondContact O-N 3.18Å
961	E	89.8	Confident	85.2	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-35.8	177.3	-72.3	167.1	-170.7	0	0	112.8	F918 Q957 K959 Y964 V965 N1021 H1025	F918-E961 HydrophobicContact CD1-CG 4.31Å; F918-E961 HydrophobicContact CE1-CB 3.67Å; F918-E961 HydrophobicContact CE1-CG 3.73Å; F918-E961 HydrophobicContact CE2-CG 4.06Å; F918-E961 HydrophobicContact CZ-CB 3.64Å; F918-E961 HydrophobicContact CZ-CG 3.6Å; Q957-E961 PolarHBondContact NE2-OE1 3.39Å; Q957-E961 WeakPolarHBondContact O-CG 3.46Å; Q957-E961 PolarHBondContact O-N 2.85Å; K959-E961 VanDerWaalsContact C-N 3.28Å; K959-E961 PolarHBondContact O-N 2.91Å; E961-Y964 WeakPolarHBondContact O-CB 3.45Å; E961-V965 WeakPolarHBondContact O-CG2 3.23Å; E961-V965 PolarHBondContact O-N 3.1Å; E961-N1021 WeakPolarHBondContact CB-ND2 3.35Å; E961-N1021 PolarHBondContact OE2-ND2 3.37Å; E961-H1025 IonicContact OE1-CE1 3.03Å; E961-H1025 IonicContact OE1-NE2 3.42Å; E961-H1025 PolarHBondContact OE1-NE2 2.79Å; E961-H1025 IonicContact OE2-CD2 2.75Å; E961-H1025 IonicContact OE2-CE1 3.22Å; E961-H1025 IonicContact OE2-NE2 3.98Å; E961-H1025 PolarHBondContact OE2-NE2 3.02Å
962	V	90.7	Very high	83.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-48	171.3	173.7	0	0	0	0	110.6	L910 I958 K959 R960 Y964 V965 L966 Y1014 L1017 I1018 N1021	L910-V962 HydrophobicContact CD1-CG2 4.2Å; L910-V962 HydrophobicContact CD2-CG2 4.14Å; I958-V962 WeakPolarHBondContact O-CG2 3.4Å; I958-V962 PolarHBondContact O-N 3.26Å; K959-V962 WeakPolarHBondContact O-CB 3.34Å; K959-V962 PolarHBondContact O-N 2.9Å; K959-V962 VanDerWaalsContact O-N 3.11Å; R960-V962 VanDerWaalsContact C-N 3.34Å; V962-Y964 VanDerWaalsContact C-N 3.27Å; V962-Y964 PolarHBondContact O-N 3.03Å; V962-V965 PolarHBondContact O-N 2.75Å; V962-L966 HydrophobicContact CG1-CD1 4Å; V962-L966 HydrophobicContact CG1-CG 4.38Å; V962-L966 WeakPolarHBondContact O-CG 3.19Å; V962-L966 PolarHBondContact O-N 2.8Å; V962-Y1014 HydrophobicContact CG1-CD2 4.31Å; V962-Y1014 HydrophobicContact CG1-CE2 4.03Å; V962-L1017 HydrophobicContact CG1-CB 3.88Å; V962-I1018 HydrophobicContact CG2-CG1 4.36Å; V962-N1021 HydrophobicContact CG2-CB 3.57Å
963	D	88	Confident	82	Confident	17 Å²	17	44.2 Å²	44.2	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-44	177.9	-71.7	-30	0	0	0	111.4	K959 R960 V965 L966 D967 R981 Y1014	K959-D963 WeakPolarHBondContact CG-OD2 3.31Å; K959-D963 IonicContact NZ-OD1 2.94Å; K959-D963 IonicContact NZ-OD2 2.91Å; K959-D963 PolarHBondContact NZ-OD2 3.28Å; K959-D963 PolarHBondContact O-N 2.99Å; R960-D963 PolarHBondContact O-N 3.33Å; D963-V965 PolarHBondContact O-N 2.94Å; D963-L966 WeakPolarHBondContact O-CB 3.32Å; D963-L966 PolarHBondContact O-N 3.37Å; D963-D967 WeakPolarHBondContact O-CB 3.24Å; D963-D967 PolarHBondContact O-N 2.77Å; D963-D967 VanDerWaalsContact O-OD2 3.11Å; D963-R981 WeakPolarHBondContact OD1-CD 3.44Å; D963-R981 IonicContact OD1-CZ 3.54Å; D963-R981 IonicContact OD1-NE 3.75Å; D963-R981 PolarHBondContact OD1-NE 3.47Å; D963-R981 IonicContact OD1-NH2 2.73Å; D963-Y1014 PolarHBondContact OD1-OH 2.97Å
964	Y	84.3	Confident	80.3	Confident	20 Å²	20	43 Å²	43	8%	0.078	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-50.2	175.6	169.9	-104.5	0	0	0	113	F918 F920 R960 E961 V962 L966 D967 R968	F918-Y964 AromaticContact CD1-CD1 3.83Å; F918-Y964 HydrophobicContact CD1-CD1 3.83Å; F918-Y964 AromaticContact CD1-CE1 3.99Å; F918-Y964 HydrophobicContact CD1-CE1 3.99Å; F918-Y964 HydrophobicContact CE1-CD1 4.12Å; F920-Y964 WeakPolarHBondContact O-CE2 3.46Å; F920-Y964 PolarHBondContact O-OH 3.42Å; R960-Y964 VanDerWaalsContact O-CB 3.29Å; R960-Y964 WeakPolarHBondContact O-CB 3.49Å; R960-Y964 PolarHBondContact O-N 3.18Å; E961-Y964 WeakPolarHBondContact O-CB 3.45Å; V962-Y964 VanDerWaalsContact C-N 3.27Å; V962-Y964 PolarHBondContact O-N 3.03Å; Y964-L966 VanDerWaalsContact C-N 3.31Å; Y964-L966 PolarHBondContact O-N 3.22Å; Y964-D967 PolarHBondContact O-N 2.77Å; Y964-R968 HydrophobicContact CD2-CG 4.43Å; Y964-R968 HydrophobicContact CE1-CG 4.43Å; Y964-R968 HydrophobicContact CE2-CG 4.04Å; Y964-R968 VanDerWaalsContact CE2-NH2 3.29Å; Y964-R968 VanDerWaalsContact CZ-NH1 3.26Å; Y964-R968 WeakPolarHBondContact O-CG 3.24Å; Y964-R968 PolarHBondContact O-N 2.82Å; Y964-R968 VanDerWaalsContact OH-CZ 3.29Å; Y964-R968 PolarHBondContact OH-NH1 2.92Å; Y964-R968 PolarHBondContact OH-NH2 2.84Å
965	V	86.4	Confident	78.4	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-38	-179.9	173.7	0	0	0	0	110.8	L594 A906 L910 E961 V962 D963 R968 C969	L594-V965 HydrophobicContact CD1-CG1 4.44Å; A906-V965 HydrophobicContact CB-CG1 4.37Å; A906-V965 WeakPolarHBondContact O-CG1 3.05Å; L910-V965 HydrophobicContact CD2-CB 4.26Å; L910-V965 HydrophobicContact CD2-CG2 3.81Å; L910-V965 HydrophobicContact CG-CB 4.3Å; L910-V965 HydrophobicContact CG-CG1 4.38Å; L910-V965 HydrophobicContact CG-CG2 4.13Å; E961-V965 WeakPolarHBondContact O-CG2 3.23Å; E961-V965 PolarHBondContact O-N 3.1Å; V962-V965 PolarHBondContact O-N 2.75Å; D963-V965 PolarHBondContact O-N 2.94Å; V965-R968 PolarHBondContact O-N 2.9Å; V965-C969 PolarHBondContact O-N 3.02Å; V965-C969 PolarHBondContact O-SG 2.77Å
966	L	86.5	Confident	76.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-50.3	173.9	-68.7	174.6	0	0	0	110.5	A906 V962 D963 Y964 R968 C969 Y970 Y1014 L1017	A906-L966 HydrophobicContact CB-CD2 3.8Å; V962-L966 HydrophobicContact CG1-CD1 4Å; V962-L966 HydrophobicContact CG1-CG 4.38Å; V962-L966 WeakPolarHBondContact O-CG 3.19Å; V962-L966 PolarHBondContact O-N 2.8Å; D963-L966 WeakPolarHBondContact O-CB 3.32Å; D963-L966 PolarHBondContact O-N 3.37Å; Y964-L966 VanDerWaalsContact C-N 3.31Å; Y964-L966 PolarHBondContact O-N 3.22Å; L966-R968 PolarHBondContact O-N 2.99Å; L966-C969 WeakPolarHBondContact O-CA 3.39Å; L966-C969 WeakPolarHBondContact O-CB 3.24Å; L966-C969 PolarHBondContact O-N 2.7Å; L966-Y970 HydrophobicContact CB-CE2 4.28Å; L966-Y970 HydrophobicContact CD2-CE2 4.3Å; L966-Y970 WeakPolarHBondContact O-CD2 3.24Å; L966-Y970 WeakPolarHBondContact O-CE2 3.42Å; L966-Y970 PolarHBondContact O-N 2.87Å; L966-Y1014 HydrophobicContact CD1-CD2 4.06Å; L966-Y1014 HydrophobicContact CD1-CE2 4.07Å; L966-L1017 HydrophobicContact CD2-CD1 4.16Å
967	D	80.9	Confident	74.6	Confident	70 Å²	70	47.1 Å²	47.1	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-55.5	-39.7	177.8	-65.8	-31.9	0	0	0	111.1	D963 Y964 Y970 E971 H979 R981	D963-D967 WeakPolarHBondContact O-CB 3.24Å; D963-D967 PolarHBondContact O-N 2.77Å; D963-D967 VanDerWaalsContact O-OD2 3.11Å; Y964-D967 PolarHBondContact O-N 2.77Å; D967-Y970 CarbonylContact O-C 3.54Å; D967-Y970 PolarHBondContact O-N 2.84Å; D967-Y970 VanDerWaalsContact O-N 3.1Å; D967-E971 PolarHBondContact O-N 3.06Å; D967-H979 IonicContact OD1-CD2 3.63Å; D967-H979 IonicContact OD1-NE2 3.47Å; D967-H979 PolarHBondContact OD1-NE2 3.41Å; D967-H979 VanDerWaalsContact OD1-NE2 3.14Å; D967-R981 VanDerWaalsContact CG-NH2 3.33Å; D967-R981 IonicContact OD1-CZ 3.44Å; D967-R981 IonicContact OD1-NH1 3.18Å; D967-R981 IonicContact OD1-NH2 2.8Å; D967-R981 PolarHBondContact OD1-NH2 3.01Å; D967-R981 IonicContact OD2-NH2 3.57Å; D967-R981 PolarHBondContact OD2-NH2 3.13Å
968	R	78.6	Confident	73.1	Confident	58 Å²	58	45.6 Å²	45.6	22%	0.219	23%	0.23	C	C	.	.	H	α-helix	trans	-72.2	-25.4	176	-67.3	-63.2	177.5	72.6	2.9	115.3	L594 Y964 V965 L966 Y970 E971	L594-R968 HydrophobicContact CD2-CB 3.86Å; Y964-R968 HydrophobicContact CD2-CG 4.43Å; Y964-R968 HydrophobicContact CE1-CG 4.43Å; Y964-R968 HydrophobicContact CE2-CG 4.04Å; Y964-R968 VanDerWaalsContact CE2-NH2 3.29Å; Y964-R968 VanDerWaalsContact CZ-NH1 3.26Å; Y964-R968 WeakPolarHBondContact O-CG 3.24Å; Y964-R968 PolarHBondContact O-N 2.82Å; Y964-R968 VanDerWaalsContact OH-CZ 3.29Å; Y964-R968 PolarHBondContact OH-NH1 2.92Å; Y964-R968 PolarHBondContact OH-NH2 2.84Å; V965-R968 PolarHBondContact O-N 2.9Å; L966-R968 PolarHBondContact O-N 2.99Å; R968-Y970 PolarHBondContact O-N 2.82Å; R968-E971 WeakPolarHBondContact CD-OE2 3.27Å; R968-E971 IonicContact NE-OE2 3.46Å; R968-E971 PolarHBondContact NE-OE2 2.78Å
969	C	78.2	Confident	71.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-23.9	169.3	-66.9	0	0	0	0	111.5	V965 L966	V965-C969 PolarHBondContact O-N 3.02Å; V965-C969 PolarHBondContact O-SG 2.77Å; L966-C969 WeakPolarHBondContact O-CA 3.39Å; L966-C969 WeakPolarHBondContact O-CB 3.24Å; L966-C969 PolarHBondContact O-N 2.7Å
970	Y	72.8	Confident	71.1	Confident	17 Å²	17	45.6 Å²	45.6	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-113.6	-4.4	-173.9	-54.6	-59	0	0	0	114.9	S902 L966 D967 R968 S972 M973 F978 H979 T980	S902-Y970 WeakPolarHBondContact CB-OH 3.49Å; L966-Y970 HydrophobicContact CB-CE2 4.28Å; L966-Y970 HydrophobicContact CD2-CE2 4.3Å; L966-Y970 WeakPolarHBondContact O-CD2 3.24Å; L966-Y970 WeakPolarHBondContact O-CE2 3.42Å; L966-Y970 PolarHBondContact O-N 2.87Å; D967-Y970 CarbonylContact O-C 3.54Å; D967-Y970 PolarHBondContact O-N 2.84Å; D967-Y970 VanDerWaalsContact O-N 3.1Å; R968-Y970 PolarHBondContact O-N 2.82Å; Y970-S972 PolarHBondContact O-N 2.9Å; Y970-M973 HydrophobicContact CD1-SD 3.72Å; Y970-M973 HydrophobicContact CE1-SD 4.45Å; Y970-M973 VanDerWaalsContact O-CB 3.25Å; Y970-M973 WeakPolarHBondContact O-CB 3.22Å; Y970-M973 PolarHBondContact O-N 2.92Å; Y970-F978 HydrophobicContact CD1-CB 3.84Å; Y970-F978 VanDerWaalsContact CE1-C 3.44Å; Y970-F978 HydrophobicContact CE1-CB 3.28Å; Y970-F978 WeakPolarHBondContact CE1-O 3.32Å; Y970-F978 WeakPolarHBondContact CE2-O 3.16Å; Y970-F978 PolarHBondContact OH-O 2.79Å; Y970-H979 HydrophobicContact CD2-CB 4.12Å; Y970-H979 AromaticContact CD2-CD2 3.61Å; Y970-H979 HydrophobicContact CE2-CB 4.45Å; Y970-T980 PolarHBondContact OH-OG1 3.18Å
971	E	66.4	Low	71	Confident	111 Å²	111	43.2 Å²	43.2	52%	0.519	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.1	176.9	-169.7	-176.8	167.8	0	0	112.9	A595 D967 R968 M973	A595-E971 WeakPolarHBondContact CB-OE2 3.36Å; D967-E971 PolarHBondContact O-N 3.06Å; R968-E971 WeakPolarHBondContact CD-OE2 3.27Å; R968-E971 IonicContact NE-OE2 3.46Å; R968-E971 PolarHBondContact NE-OE2 2.78Å; E971-M973 VanDerWaalsContact C-N 3.28Å; E971-M973 PolarHBondContact O-N 3.26Å
972	S	55.2	Low	70.4	Confident	72 Å²	72	44.1 Å²	44.1	50%	0.503	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.3	176.4	58	0	0	0	0	114.6	Y970	Y970-S972 PolarHBondContact O-N 2.9Å
973	M	57.1	Low	70	Confident	29 Å²	29	45.5 Å²	45.5	14%	0.143	23%	0.233	C	C	.	.	S	Bend	trans	-118.9	154.7	-166.6	-58.8	-159.2	56.9	0	0	114.2	L580 Y970 E971 H977 F978	L580-M973 HydrophobicContact CD2-CB 4.47Å; L580-M973 HydrophobicContact CD2-CE 3.44Å; L580-M973 VanDerWaalsContact CD2-CE 3.44Å; L580-M973 HydrophobicContact CD2-CG 3.74Å; L580-M973 HydrophobicContact CD2-SD 4Å; L580-M973 HydrophobicContact CG-CE 4.33Å; Y970-M973 HydrophobicContact CD1-SD 3.72Å; Y970-M973 HydrophobicContact CE1-SD 4.45Å; Y970-M973 VanDerWaalsContact O-CB 3.25Å; Y970-M973 WeakPolarHBondContact O-CB 3.22Å; Y970-M973 PolarHBondContact O-N 2.92Å; E971-M973 VanDerWaalsContact C-N 3.28Å; E971-M973 PolarHBondContact O-N 3.26Å; M973-H977 HydrophobicContact CE-CB 3.48Å; M973-H977 VanDerWaalsContact CE-CB 3.48Å; M973-H977 WeakPolarHBondContact CE-O 3.18Å; M973-F978 HydrophobicContact CE-CB 4.46Å; M973-F978 HydrophobicContact CE-CD2 3.06Å; M973-F978 HydrophobicContact CE-CE2 3.43Å; M973-F978 VanDerWaalsContact CE-CE2 3.43Å; M973-F978 HydrophobicContact CE-CG 4.1Å; M973-F978 HydrophobicContact SD-CB 4.4Å; M973-F978 HydrophobicContact SD-CD2 3.63Å; M973-F978 HydrophobicContact SD-CE2 4.43Å
974	S	51.8	Low	69.9	Low	77 Å²	77	44.7 Å²	44.7	54%	0.538	23%	0.228	S	C	.	.			trans	-66	136.7	162.5	56.6	0	0	0	0	110.2	M976 H977	S974-M976 PolarHBondContact O-N 3.43Å; S974-H977 PolarHBondContact O-N 3.15Å
975	M	46	Very low	70	Confident	156 Å²	156	45.7 Å²	45.7	77%	0.768	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-0.6	-171.2	-149.2	165.7	72.7	0	0	118
976	M	46.9	Very low	69.9	Low	153 Å²	153	49.9 Å²	49.9	75%	0.754	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-13	-179.5	-81.6	-167.1	178.4	0	0	115.1	S974	S974-M976 PolarHBondContact O-N 3.43Å
977	H	51.6	Low	70	Confident	64 Å²	64	50.1 Å²	50.1	30%	0.296	25%	0.252	S	S	.	.	S	Bend	trans	-110.4	120.4	-166.2	-67.8	-113.7	0	0	0	110.7	E579 M973 S974 H979	E579-H977 IonicContact OE1-CE1 2.74Å; E579-H977 IonicContact OE1-ND1 3.99Å; E579-H977 IonicContact OE2-CE1 3.68Å; E579-H977 IonicContact OE2-CG 3.11Å; E579-H977 IonicContact OE2-ND1 3.27Å; E579-H977 PolarHBondContact OE2-ND1 3.16Å; M973-H977 HydrophobicContact CE-CB 3.48Å; M973-H977 VanDerWaalsContact CE-CB 3.48Å; M973-H977 WeakPolarHBondContact CE-O 3.18Å; S974-H977 PolarHBondContact O-N 3.15Å; H977-H979 PolarHBondContact O-N 2.72Å
978	F	55.9	Low	70.3	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.044	24%	0.236	C	C	.	.			trans	76.4	-4.9	168.4	-47.9	-47.8	0	0	0	120.6	E579 R898 Y970 M973 T980 E983	E579-F978 WeakPolarHBondContact OE2-CE2 3.42Å; E579-F978 WeakPolarHBondContact OE2-CZ 3.5Å; R898-F978 HydrophobicContact CB-CD1 4.06Å; R898-F978 HydrophobicContact CB-CE1 3.54Å; R898-F978 HydrophobicContact CB-CE2 4.49Å; R898-F978 HydrophobicContact CB-CZ 3.8Å; R898-F978 VanDerWaalsContact CD-CE1 3.48Å; R898-F978 VanDerWaalsContact CD-CZ 3.48Å; R898-F978 HydrophobicContact CG-CD1 4.43Å; R898-F978 HydrophobicContact CG-CE1 3.5Å; R898-F978 VanDerWaalsContact CG-CE1 3.5Å; R898-F978 HydrophobicContact CG-CE2 4.07Å; R898-F978 HydrophobicContact CG-CZ 3.27Å; Y970-F978 HydrophobicContact CD1-CB 3.84Å; Y970-F978 VanDerWaalsContact CE1-C 3.44Å; Y970-F978 HydrophobicContact CE1-CB 3.28Å; Y970-F978 WeakPolarHBondContact CE1-O 3.32Å; Y970-F978 WeakPolarHBondContact CE2-O 3.16Å; Y970-F978 PolarHBondContact OH-O 2.79Å; M973-F978 HydrophobicContact CE-CB 4.46Å; M973-F978 HydrophobicContact CE-CD2 3.06Å; M973-F978 HydrophobicContact CE-CE2 3.43Å; M973-F978 VanDerWaalsContact CE-CE2 3.43Å; M973-F978 HydrophobicContact CE-CG 4.1Å; M973-F978 HydrophobicContact SD-CB 4.4Å; M973-F978 HydrophobicContact SD-CD2 3.63Å; M973-F978 HydrophobicContact SD-CE2 4.43Å; F978-T980 PolarHBondContact O-N 2.92Å; F978-E983 WeakPolarHBondContact CA-OE1 3.17Å; F978-E983 WeakPolarHBondContact CD1-OE1 3.41Å
979	H	67.5	Low	70.8	Confident	19 Å²	19	46 Å²	46	9%	0.088	23%	0.234	C	C	.	.			trans	-61.3	108.8	177.9	-166.9	-60.1	0	0	0	110.7	D967 Y970 H977 R981 E982 E983	D967-H979 IonicContact OD1-CD2 3.63Å; D967-H979 IonicContact OD1-NE2 3.47Å; D967-H979 PolarHBondContact OD1-NE2 3.41Å; D967-H979 VanDerWaalsContact OD1-NE2 3.14Å; Y970-H979 HydrophobicContact CD2-CB 4.12Å; Y970-H979 AromaticContact CD2-CD2 3.61Å; Y970-H979 HydrophobicContact CE2-CB 4.45Å; H977-H979 PolarHBondContact O-N 2.72Å; H979-R981 PolarHBondContact CE1-NE 2.73Å; H979-R981 VanDerWaalsContact CE1-NE 3.28Å; H979-R981 PolarHBondContact CE1-NH1 3.13Å; H979-R981 VanDerWaalsContact CE1-NH1 3.33Å; H979-R981 PolarHBondContact CE1-NH2 3.29Å; H979-R981 VanDerWaalsContact CE1-NH2 3.34Å; H979-R981 WeakPolarHBondContact ND1-CB 3.48Å; H979-R981 PolarHBondContact ND1-N 3.24Å; H979-R981 VanDerWaalsContact NE2-CZ 3.28Å; H979-R981 PolarHBondContact NE2-NH2 2.94Å; H979-R981 PolarHBondContact O-N 3.42Å; H979-E982 HydrophobicContact CB-CB 4.15Å; H979-E982 HydrophobicContact CB-CG 3.94Å; H979-E982 WeakPolarHBondContact O-CA 3.32Å; H979-E982 WeakPolarHBondContact O-CB 3.23Å; H979-E982 PolarHBondContact O-N 2.75Å; H979-E983 PolarHBondContact O-N 2.8Å
980	T	73.5	Confident	71.3	Confident	10 Å²	10	51.8 Å²	51.8	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-49.2	-41.9	-171.6	-49.4	0	0	0	0	112.3	Y970 F978 E982 E983 I984	Y970-T980 PolarHBondContact OH-OG1 3.18Å; F978-T980 PolarHBondContact O-N 2.92Å; T980-E982 PolarHBondContact O-N 2.81Å; T980-E983 PolarHBondContact O-N 3.43Å; T980-I984 VanDerWaalsContact O-CG1 3.27Å; T980-I984 WeakPolarHBondContact O-CG1 3.45Å; T980-I984 PolarHBondContact O-N 2.76Å
981	R	82.2	Confident	72.1	Confident	10 Å²	10	51.2 Å²	51.2	4%	0.038	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-40	175.7	-64.6	-176.6	-106	110.3	-1	113.9	T938 K939 D963 D967 H979 Y1014	T938-R981 WeakPolarHBondContact O-CB 3.44Å; T938-R981 WeakPolarHBondContact O-CD 3.47Å; T938-R981 PolarHBondContact O-NH1 3.17Å; K939-R981 VanDerWaalsContact C-CD 3.46Å; D963-R981 WeakPolarHBondContact OD1-CD 3.44Å; D963-R981 IonicContact OD1-CZ 3.54Å; D963-R981 IonicContact OD1-NE 3.75Å; D963-R981 PolarHBondContact OD1-NE 3.47Å; D963-R981 IonicContact OD1-NH2 2.73Å; D967-R981 VanDerWaalsContact CG-NH2 3.33Å; D967-R981 IonicContact OD1-CZ 3.44Å; D967-R981 IonicContact OD1-NH1 3.18Å; D967-R981 IonicContact OD1-NH2 2.8Å; D967-R981 PolarHBondContact OD1-NH2 3.01Å; D967-R981 IonicContact OD2-NH2 3.57Å; D967-R981 PolarHBondContact OD2-NH2 3.13Å; H979-R981 PolarHBondContact CE1-NE 2.73Å; H979-R981 VanDerWaalsContact CE1-NE 3.28Å; H979-R981 PolarHBondContact CE1-NH1 3.13Å; H979-R981 VanDerWaalsContact CE1-NH1 3.33Å; H979-R981 PolarHBondContact CE1-NH2 3.29Å; H979-R981 VanDerWaalsContact CE1-NH2 3.34Å; H979-R981 WeakPolarHBondContact ND1-CB 3.48Å; H979-R981 PolarHBondContact ND1-N 3.24Å; H979-R981 VanDerWaalsContact NE2-CZ 3.28Å; H979-R981 PolarHBondContact NE2-NH2 2.94Å; H979-R981 PolarHBondContact O-N 3.42Å; R981-Y1014 HydrophobicContact CG-CE1 4.47Å; R981-Y1014 HydrophobicContact CG-CE2 4.18Å
982	E	77.8	Confident	73.1	Confident	28 Å²	28	52 Å²	52	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-77	-38.5	179.5	-61.4	-170.3	166.9	0	0	111.6	T938 H979 T980 I984 Y985 F986	T938-E982 HydrophobicContact CG2-CG 4.23Å; H979-E982 HydrophobicContact CB-CB 4.15Å; H979-E982 HydrophobicContact CB-CG 3.94Å; H979-E982 WeakPolarHBondContact O-CA 3.32Å; H979-E982 WeakPolarHBondContact O-CB 3.23Å; H979-E982 PolarHBondContact O-N 2.75Å; T980-E982 PolarHBondContact O-N 2.81Å; E982-I984 PolarHBondContact O-N 3.47Å; E982-Y985 PolarHBondContact O-N 2.89Å; E982-Y985 VanDerWaalsContact O-N 3.13Å; E982-F986 HydrophobicContact CB-CD2 3.8Å; E982-F986 HydrophobicContact CB-CE2 3.79Å; E982-F986 HydrophobicContact CG-CE2 4.45Å; E982-F986 WeakPolarHBondContact O-CB 3.31Å; E982-F986 WeakPolarHBondContact O-CD2 3.47Å; E982-F986 PolarHBondContact O-N 3.43Å
983	E	82.2	Confident	74.8	Confident	30 Å²	30	53.2 Å²	53.2	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-35.8	176.5	-69.8	-166.8	147.7	0	0	112.3	F978 H979 T980 T987 Y1010	F978-E983 WeakPolarHBondContact CA-OE1 3.17Å; F978-E983 WeakPolarHBondContact CD1-OE1 3.41Å; H979-E983 PolarHBondContact O-N 2.8Å; T980-E983 PolarHBondContact O-N 3.43Å; E983-T987 WeakPolarHBondContact O-CB 3.09Å; E983-T987 PolarHBondContact O-N 2.65Å; E983-T987 PolarHBondContact O-OG1 2.68Å; E983-Y1010 HydrophobicContact CB-CD1 4.5Å; E983-Y1010 HydrophobicContact CB-CD2 4.11Å; E983-Y1010 HydrophobicContact CB-CE2 4.12Å; E983-Y1010 HydrophobicContact CB-CG 4.31Å; E983-Y1010 WeakPolarHBondContact OE2-CE1 3.16Å
984	I	86.9	Confident	76.4	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-57.6	174.1	-63.5	163	0	0	0	110.1	F942 T980 E982 Y988 S1007 Y1010 L1011 Y1014 F1058	F942-I984 HydrophobicContact CE1-CG2 3.94Å; F942-I984 HydrophobicContact CE2-CB 4.19Å; F942-I984 HydrophobicContact CE2-CD1 3.76Å; F942-I984 HydrophobicContact CE2-CG2 3.85Å; F942-I984 HydrophobicContact CZ-CB 3.86Å; F942-I984 HydrophobicContact CZ-CD1 4.33Å; F942-I984 HydrophobicContact CZ-CG2 3.4Å; T980-I984 VanDerWaalsContact O-CG1 3.27Å; T980-I984 WeakPolarHBondContact O-CG1 3.45Å; T980-I984 PolarHBondContact O-N 2.76Å; E982-I984 PolarHBondContact O-N 3.47Å; I984-Y988 WeakPolarHBondContact O-CB 3.25Å; I984-Y988 PolarHBondContact O-N 3.25Å; I984-S1007 PolarHBondContact O-OG 2.76Å; I984-Y1010 VanDerWaalsContact CG1-CB 3.43Å; I984-L1011 HydrophobicContact CD1-CB 4.27Å; I984-L1011 HydrophobicContact CD1-CD1 4.05Å; I984-L1011 HydrophobicContact CG1-CB 4.36Å; I984-L1011 HydrophobicContact CG2-CB 4.03Å; I984-L1011 HydrophobicContact CG2-CD1 4.3Å; I984-Y1014 HydrophobicContact CD1-CD1 4.41Å; I984-F1058 HydrophobicContact CG2-CE1 3.72Å; I984-F1058 HydrophobicContact CG2-CZ 3.7Å
985	Y	85.3	Confident	78.2	Confident	40 Å²	40	57.7 Å²	57.7	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-44.5	-174.2	-178.5	-103.3	0	0	0	112.2	Y937 E982 T987 Y988 V989 F1061	Y937-Y985 AromaticContact CD2-CD2 3.89Å; Y937-Y985 HydrophobicContact CD2-CD2 3.89Å; Y937-Y985 AromaticContact CD2-CE2 3.65Å; Y937-Y985 HydrophobicContact CD2-CE2 3.65Å; Y937-Y985 HydrophobicContact CE2-CE2 4.21Å; Y937-Y985 AromaticContact CG-CD2 3.86Å; Y937-Y985 HydrophobicContact CG-CD2 3.86Å; Y937-Y985 HydrophobicContact CG-CE2 4.12Å; E982-Y985 PolarHBondContact O-N 2.89Å; E982-Y985 VanDerWaalsContact O-N 3.13Å; Y985-T987 VanDerWaalsContact C-N 3.34Å; Y985-T987 PolarHBondContact O-N 2.84Å; Y985-Y988 WeakPolarHBondContact O-CB 3.46Å; Y985-Y988 PolarHBondContact O-N 3.17Å; Y985-Y988 VanDerWaalsContact O-N 3.16Å; Y985-V989 HydrophobicContact CD1-CG2 4.19Å; Y985-V989 HydrophobicContact CD2-CG2 4.46Å; Y985-V989 HydrophobicContact CE1-CG2 3.72Å; Y985-V989 HydrophobicContact CE2-CG2 4.03Å; Y985-V989 WeakPolarHBondContact O-CG2 3.02Å; Y985-V989 PolarHBondContact O-N 3.1Å; Y985-F1061 HydrophobicContact CD2-CZ 4.48Å; Y985-F1061 HydrophobicContact CE2-CZ 4.1Å
986	F	85.3	Confident	80.2	Confident	92 Å²	92	53.6 Å²	53.6	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-39.2	177.9	-74.4	-55.9	0	0	0	112.3	E982 Y988 K990	E982-F986 HydrophobicContact CB-CD2 3.8Å; E982-F986 HydrophobicContact CB-CE2 3.79Å; E982-F986 HydrophobicContact CG-CE2 4.45Å; E982-F986 WeakPolarHBondContact O-CB 3.31Å; E982-F986 WeakPolarHBondContact O-CD2 3.47Å; E982-F986 PolarHBondContact O-N 3.43Å; F986-Y988 VanDerWaalsContact C-N 3.32Å; F986-K990 WeakPolarHBondContact O-CB 3.46Å; F986-K990 VanDerWaalsContact O-CG 3.27Å; F986-K990 WeakPolarHBondContact O-CG 3.38Å; F986-K990 PolarHBondContact O-N 3.28Å
987	T	87.5	Confident	82	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-36.1	174.6	-59.8	0	0	0	0	111.2	E983 Y985 K990 A991 L1003 R1006	E983-T987 WeakPolarHBondContact O-CB 3.09Å; E983-T987 PolarHBondContact O-N 2.65Å; E983-T987 PolarHBondContact O-OG1 2.68Å; Y985-T987 VanDerWaalsContact C-N 3.34Å; Y985-T987 PolarHBondContact O-N 2.84Å; T987-K990 PolarHBondContact O-N 3.39Å; T987-A991 PolarHBondContact O-N 3.3Å; T987-L1003 HydrophobicContact CG2-CD2 4.36Å; T987-L1003 VanDerWaalsContact CG2-O 3.24Å; T987-L1003 WeakPolarHBondContact CG2-O 3.45Å; T987-R1006 HydrophobicContact CG2-CB 4.04Å; T987-R1006 HydrophobicContact CG2-CG 4.21Å; T987-R1006 VanDerWaalsContact CG2-NE 3.34Å
988	Y	88.4	Confident	83.4	Confident	12 Å²	12	52.2 Å²	52.2	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-50.3	174.6	174.4	-99.3	0	0	0	111.8	I984 Y985 F986 K990 A991 R992 S1007 F1058 F1061 E1062	I984-Y988 WeakPolarHBondContact O-CB 3.25Å; I984-Y988 PolarHBondContact O-N 3.25Å; Y985-Y988 WeakPolarHBondContact O-CB 3.46Å; Y985-Y988 PolarHBondContact O-N 3.17Å; Y985-Y988 VanDerWaalsContact O-N 3.16Å; F986-Y988 VanDerWaalsContact C-N 3.32Å; Y988-K990 VanDerWaalsContact C-N 3.33Å; Y988-K990 PolarHBondContact O-N 3.27Å; Y988-A991 WeakPolarHBondContact O-CB 3.35Å; Y988-A991 PolarHBondContact O-N 3.13Å; Y988-R992 PolarHBondContact O-N 3.19Å; Y988-S1007 WeakPolarHBondContact CB-OG 3.47Å; Y988-F1058 AromaticContact CD2-CD2 3.57Å; Y988-F1058 HydrophobicContact CD2-CD2 3.57Å; Y988-F1058 AromaticContact CD2-CE2 3.65Å; Y988-F1058 HydrophobicContact CD2-CE2 3.65Å; Y988-F1058 HydrophobicContact CD2-CG 4.24Å; Y988-F1058 HydrophobicContact CD2-CZ 4.37Å; Y988-F1058 AromaticContact CE2-CD2 3.81Å; Y988-F1058 HydrophobicContact CE2-CD2 3.81Å; Y988-F1058 HydrophobicContact CE2-CE2 4.35Å; Y988-F1058 HydrophobicContact CE2-CG 4.32Å; Y988-F1058 HydrophobicContact CG-CD2 4.44Å; Y988-F1058 HydrophobicContact CG-CE2 4.34Å; Y988-F1061 HydrophobicContact CD1-CD2 4.1Å; Y988-F1061 HydrophobicContact CD1-CE2 4.24Å; Y988-F1061 HydrophobicContact CE1-CB 4.05Å; Y988-F1061 AromaticContact CE1-CD2 3.55Å; Y988-F1061 HydrophobicContact CE1-CD2 3.55Å; Y988-F1061 HydrophobicContact CE1-CE2 4.08Å; Y988-F1061 AromaticContact CE1-CG 3.9Å; Y988-F1061 HydrophobicContact CE1-CG 3.9Å; Y988-F1061 HydrophobicContact CE2-CB 4.5Å; Y988-F1061 HydrophobicContact CE2-CD2 4.3Å; Y988-F1061 AromaticContact CZ-CD2 3.71Å; Y988-F1061 AromaticContact CZ-CG 3.96Å; Y988-F1061 WeakPolarHBondContact OH-CB 3.29Å; Y988-E1062 HydrophobicContact CE2-CG 4.14Å; Y988-E1062 WeakPolarHBondContact CE2-OE1 3.36Å
989	V	88.2	Confident	84.8	Confident	28 Å²	28	56.6 Å²	56.6	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-43.9	177.9	172	0	0	0	0	110.8	Y985 A991 R992 D993	Y985-V989 HydrophobicContact CD1-CG2 4.19Å; Y985-V989 HydrophobicContact CD2-CG2 4.46Å; Y985-V989 HydrophobicContact CE1-CG2 3.72Å; Y985-V989 HydrophobicContact CE2-CG2 4.03Å; Y985-V989 WeakPolarHBondContact O-CG2 3.02Å; Y985-V989 PolarHBondContact O-N 3.1Å; V989-A991 VanDerWaalsContact C-N 3.29Å; V989-A991 PolarHBondContact O-N 3.35Å; V989-R992 PolarHBondContact O-N 2.73Å; V989-D993 WeakPolarHBondContact CG1-OD2 3.39Å; V989-D993 VanDerWaalsContact O-CG 3.26Å; V989-D993 PolarHBondContact O-N 2.7Å
990	K	89.9	Confident	85.8	Confident	124 Å²	124	60 Å²	60	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-39.4	173.4	-74.5	175.9	-176.9	-179.8	0	112.4	F986 T987 Y988 E994 L1003	F986-K990 WeakPolarHBondContact O-CB 3.46Å; F986-K990 VanDerWaalsContact O-CG 3.27Å; F986-K990 WeakPolarHBondContact O-CG 3.38Å; F986-K990 PolarHBondContact O-N 3.28Å; T987-K990 PolarHBondContact O-N 3.39Å; Y988-K990 VanDerWaalsContact C-N 3.33Å; Y988-K990 PolarHBondContact O-N 3.27Å; K990-E994 WeakPolarHBondContact O-CB 3.4Å; K990-E994 PolarHBondContact O-N 3.18Å; K990-L1003 HydrophobicContact CB-CD1 4.31Å
991	A	88.3	Confident	86.4	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-68	-39.8	176.8	0	0	0	0	0	112	T987 Y988 V989 E994 K1000 L1003 R1004	T987-A991 PolarHBondContact O-N 3.3Å; Y988-A991 WeakPolarHBondContact O-CB 3.35Å; Y988-A991 PolarHBondContact O-N 3.13Å; V989-A991 VanDerWaalsContact C-N 3.29Å; V989-A991 PolarHBondContact O-N 3.35Å; A991-E994 PolarHBondContact O-N 2.94Å; A991-K1000 WeakPolarHBondContact O-CG 3.19Å; A991-L1003 HydrophobicContact CB-CB 3.57Å; A991-R1004 HydrophobicContact CB-CB 4.32Å
992	R	87.6	Confident	86.4	Confident	127 Å²	127	66.8 Å²	66.8	48%	0.479	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-42.7	178.9	-174.8	-171.2	66.1	-164.5	-3.9	111.8	Y988 V989 E994	Y988-R992 PolarHBondContact O-N 3.19Å; V989-R992 PolarHBondContact O-N 2.73Å; R992-E994 VanDerWaalsContact C-N 3.32Å
993	D	90.1	Very high	87	Confident	99 Å²	99	66.4 Å²	66.4	53%	0.529	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.3	-175.1	-55	-14.1	0	0	0	112.6	V989	V989-D993 WeakPolarHBondContact CG1-OD2 3.39Å; V989-D993 VanDerWaalsContact O-CG 3.26Å; V989-D993 PolarHBondContact O-N 2.7Å
994	E	91.1	Very high	87.2	Confident	45 Å²	45	67 Å²	67	21%	0.21	32%	0.318	C	S	.	.			trans	-81.8	134.2	177.4	-174	62.5	-110.8	0	0	111.7	K990 A991 R992 K999 K1000 L1003	K990-E994 WeakPolarHBondContact O-CB 3.4Å; K990-E994 PolarHBondContact O-N 3.18Å; A991-E994 PolarHBondContact O-N 2.94Å; R992-E994 VanDerWaalsContact C-N 3.32Å; E994-K999 HydrophobicContact CG-CB 4Å; E994-K999 HydrophobicContact CG-CD 4.18Å; E994-K999 HydrophobicContact CG-CG 4.01Å; E994-K999 IonicContact OE1-NZ 3.72Å; E994-K999 VanDerWaalsContact OE2-CD 3.27Å; E994-K999 WeakPolarHBondContact OE2-CD 3.36Å; E994-K999 WeakPolarHBondContact OE2-CE 3.32Å; E994-K999 IonicContact OE2-NZ 2.68Å; E994-K999 PolarHBondContact OE2-NZ 2.98Å; E994-K1000 HydrophobicContact CB-CB 4.28Å; E994-K1000 HydrophobicContact CG-CB 4.3Å; E994-L1003 HydrophobicContact CB-CD1 4.19Å; E994-L1003 HydrophobicContact CG-CD1 4.26Å
995	N	90.1	Very high	87.3	Confident	155 Å²	155	68.7 Å²	68.7	83%	0.829	33%	0.325	S	S	*	.			trans	-90.3	-32.2	-177.6	-68.3	-38.2	0	0	0	112.7	P997	N995-P997 WeakPolarHBondContact O-CD 3.48Å
996	D	87.9	Confident	87.4	Confident	70 Å²	70	69.8 Å²	69.8	37%	0.374	33%	0.329	S	S	.	.			trans	-72.4	119.3	178.8	170.3	18.3	0	0	0	110.4	E998 K999 K1000	D996-E998 VanDerWaalsContact C-N 3.28Å; D996-E998 PolarHBondContact O-N 3.21Å; D996-E998 PolarHBondContact OD1-N 2.99Å; D996-K999 HydrophobicContact CB-CB 4.03Å; D996-K999 PolarHBondContact O-N 3.46Å; D996-K999 VanDerWaalsContact OD2-CB 3.25Å; D996-K999 WeakPolarHBondContact OD2-CB 3.24Å; D996-K999 PolarHBondContact OD2-N 3.39Å; D996-K1000 WeakPolarHBondContact O-CB 3.45Å; D996-K1000 PolarHBondContact O-N 3.1Å
997	P	84.8	Confident	87.6	Confident	101 Å²	101	65.4 Å²	65.4	66%	0.656	31%	0.309	S	S	*	.	H	α-helix	trans	-60	-34.3	-178.1	25.2	-35.5	0	0	0	113.3	N995 L1001	N995-P997 WeakPolarHBondContact O-CD 3.48Å; P997-L1001 WeakPolarHBondContact O-CB 3.37Å; P997-L1001 PolarHBondContact O-N 2.89Å
998	E	80.9	Confident	87.7	Confident	87 Å²	87	65.4 Å²	65.4	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-71.9	-49.1	-178.7	-172.8	-177.8	167.9	0	0	110.7	D996 K1000 L1001 R1002	D996-E998 VanDerWaalsContact C-N 3.28Å; D996-E998 PolarHBondContact O-N 3.21Å; D996-E998 PolarHBondContact OD1-N 2.99Å; E998-K1000 VanDerWaalsContact C-N 3.32Å; E998-K1000 PolarHBondContact O-N 2.93Å; E998-L1001 PolarHBondContact O-N 3.33Å; E998-R1002 WeakPolarHBondContact O-CG 3.43Å; E998-R1002 PolarHBondContact O-N 3.29Å; E998-R1002 IonicContact OE1-CZ 2.71Å; E998-R1002 IonicContact OE1-NE 3.36Å; E998-R1002 IonicContact OE1-NH1 2.91Å; E998-R1002 IonicContact OE1-NH2 3.71Å; E998-R1002 PolarHBondContact OE1-NH2 3.08Å
999	K	85.1	Confident	87.8	Confident	102 Å²	102	65.1 Å²	65.1	44%	0.443	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-37.3	176.1	-170.3	173.6	172.6	-147	0	112	E994 D996 R1002 L1003	E994-K999 HydrophobicContact CG-CB 4Å; E994-K999 HydrophobicContact CG-CD 4.18Å; E994-K999 HydrophobicContact CG-CG 4.01Å; E994-K999 IonicContact OE1-NZ 3.72Å; E994-K999 VanDerWaalsContact OE2-CD 3.27Å; E994-K999 WeakPolarHBondContact OE2-CD 3.36Å; E994-K999 WeakPolarHBondContact OE2-CE 3.32Å; E994-K999 IonicContact OE2-NZ 2.68Å; E994-K999 PolarHBondContact OE2-NZ 2.98Å; D996-K999 HydrophobicContact CB-CB 4.03Å; D996-K999 PolarHBondContact O-N 3.46Å; D996-K999 VanDerWaalsContact OD2-CB 3.25Å; D996-K999 WeakPolarHBondContact OD2-CB 3.24Å; D996-K999 PolarHBondContact OD2-N 3.39Å; K999-R1002 PolarHBondContact O-N 3.41Å; K999-L1003 HydrophobicContact CG-CD1 4.16Å; K999-L1003 HydrophobicContact CG-CG 4.48Å; K999-L1003 WeakPolarHBondContact O-CB 3.33Å; K999-L1003 VanDerWaalsContact O-CG 3.28Å; K999-L1003 WeakPolarHBondContact O-CG 3.46Å; K999-L1003 PolarHBondContact O-N 3.44Å
1000	K	88.6	Confident	87.8	Confident	91 Å²	91	64.1 Å²	64.1	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-48.7	172.4	175.8	164.7	-169.9	170.4	0	111.6	A991 E994 D996 E998 R1002 L1003 R1004	A991-K1000 WeakPolarHBondContact O-CG 3.19Å; E994-K1000 HydrophobicContact CB-CB 4.28Å; E994-K1000 HydrophobicContact CG-CB 4.3Å; D996-K1000 WeakPolarHBondContact O-CB 3.45Å; D996-K1000 PolarHBondContact O-N 3.1Å; E998-K1000 VanDerWaalsContact C-N 3.32Å; E998-K1000 PolarHBondContact O-N 2.93Å; K1000-R1002 PolarHBondContact O-N 2.62Å; K1000-L1003 PolarHBondContact O-N 3.36Å; K1000-R1004 VanDerWaalsContact O-CB 3.3Å; K1000-R1004 WeakPolarHBondContact O-CB 3.36Å; K1000-R1004 PolarHBondContact O-N 3.29Å
1001	L	85.7	Confident	87.9	Confident	58 Å²	58	58.2 Å²	58.2	30%	0.304	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-45.3	176.6	178.8	61.2	0	0	0	111.7	P997 E998 R1004 K1005 L1067	P997-L1001 WeakPolarHBondContact O-CB 3.37Å; P997-L1001 PolarHBondContact O-N 2.89Å; E998-L1001 PolarHBondContact O-N 3.33Å; L1001-R1004 PolarHBondContact O-N 3.13Å; L1001-K1005 HydrophobicContact CD1-CG 4.47Å; L1001-K1005 PolarHBondContact O-N 2.73Å; L1001-L1067 HydrophobicContact CD1-CD1 3.81Å
1002	R	83.5	Confident	88.1	Confident	103 Å²	103	58.2 Å²	58.2	39%	0.389	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-47.7	176.9	-75.1	-178.2	177.1	155.3	6.9	112.5	E998 K999 K1000 R1004 K1005 R1006	E998-R1002 WeakPolarHBondContact O-CG 3.43Å; E998-R1002 PolarHBondContact O-N 3.29Å; E998-R1002 IonicContact OE1-CZ 2.71Å; E998-R1002 IonicContact OE1-NE 3.36Å; E998-R1002 IonicContact OE1-NH1 2.91Å; E998-R1002 IonicContact OE1-NH2 3.71Å; E998-R1002 PolarHBondContact OE1-NH2 3.08Å; K999-R1002 PolarHBondContact O-N 3.41Å; K1000-R1002 PolarHBondContact O-N 2.62Å; R1002-R1004 VanDerWaalsContact C-N 3.3Å; R1002-R1004 PolarHBondContact O-N 2.77Å; R1002-K1005 PolarHBondContact O-N 3.05Å; R1002-R1006 WeakPolarHBondContact O-CB 3.47Å; R1002-R1006 PolarHBondContact O-N 3.02Å
1003	L	88.7	Confident	88.3	Confident	20 Å²	20	52.4 Å²	52.4	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-39.2	177.2	-71.3	170.2	0	0	0	111.1	T987 K990 A991 E994 K999 K1000 R1006 S1007	T987-L1003 HydrophobicContact CG2-CD2 4.36Å; T987-L1003 VanDerWaalsContact CG2-O 3.24Å; T987-L1003 WeakPolarHBondContact CG2-O 3.45Å; K990-L1003 HydrophobicContact CB-CD1 4.31Å; A991-L1003 HydrophobicContact CB-CB 3.57Å; E994-L1003 HydrophobicContact CB-CD1 4.19Å; E994-L1003 HydrophobicContact CG-CD1 4.26Å; K999-L1003 HydrophobicContact CG-CD1 4.16Å; K999-L1003 HydrophobicContact CG-CG 4.48Å; K999-L1003 WeakPolarHBondContact O-CB 3.33Å; K999-L1003 VanDerWaalsContact O-CG 3.28Å; K999-L1003 WeakPolarHBondContact O-CG 3.46Å; K999-L1003 PolarHBondContact O-N 3.44Å; K1000-L1003 PolarHBondContact O-N 3.36Å; L1003-R1006 WeakPolarHBondContact O-CB 3.43Å; L1003-R1006 PolarHBondContact O-N 2.86Å; L1003-S1007 PolarHBondContact O-N 3.18Å
1004	R	88	Confident	88.4	Confident	43 Å²	43	47.7 Å²	47.7	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-50	176.7	-170.2	172.1	-175.6	-157.9	-7	111.9	A991 K1000 L1001 R1002 R1006 S1007 L1008 E1062 D1065 L1067	A991-R1004 HydrophobicContact CB-CB 4.32Å; K1000-R1004 VanDerWaalsContact O-CB 3.3Å; K1000-R1004 WeakPolarHBondContact O-CB 3.36Å; K1000-R1004 PolarHBondContact O-N 3.29Å; L1001-R1004 PolarHBondContact O-N 3.13Å; R1002-R1004 VanDerWaalsContact C-N 3.3Å; R1002-R1004 PolarHBondContact O-N 2.77Å; R1004-R1006 VanDerWaalsContact C-N 3.25Å; R1004-R1006 PolarHBondContact O-N 3.2Å; R1004-S1007 PolarHBondContact O-N 2.87Å; R1004-L1008 WeakPolarHBondContact O-CG 3.48Å; R1004-L1008 PolarHBondContact O-N 3.5Å; R1004-E1062 IonicContact CZ-OE1 3.47Å; R1004-E1062 IonicContact CZ-OE2 3.73Å; R1004-E1062 IonicContact NE-OE1 3.6Å; R1004-E1062 PolarHBondContact NE-OE1 3.46Å; R1004-E1062 VanDerWaalsContact NE-OE1 3.13Å; R1004-E1062 IonicContact NE-OE2 2.81Å; R1004-E1062 PolarHBondContact NE-OE2 3.2Å; R1004-E1062 VanDerWaalsContact NH2-CD 3.33Å; R1004-E1062 IonicContact NH2-OE1 3.66Å; R1004-E1062 IonicContact NH2-OE2 3.78Å; R1004-E1062 PolarHBondContact NH2-OE2 2.8Å; R1004-D1065 IonicContact CZ-OD2 3.85Å; R1004-D1065 VanDerWaalsContact CZ-OD2 3.31Å; R1004-D1065 IonicContact NH1-OD2 3.95Å; R1004-D1065 PolarHBondContact NH1-OD2 3.41Å; R1004-D1065 IonicContact NH2-OD2 3.41Å; R1004-D1065 PolarHBondContact NH2-OD2 3.25Å; R1004-L1067 HydrophobicContact CG-CD1 4.21Å
1005	K	87.4	Confident	88.5	Confident	35 Å²	35	45.6 Å²	45.6	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-41.7	173.4	-74.3	-165.2	-180	-165.1	0	111.6	L1001 R1002 L1008 A1009 L1067 D1077	L1001-K1005 HydrophobicContact CD1-CG 4.47Å; L1001-K1005 PolarHBondContact O-N 2.73Å; R1002-K1005 PolarHBondContact O-N 3.05Å; K1005-L1008 PolarHBondContact O-N 2.85Å; K1005-A1009 WeakPolarHBondContact O-CB 3.48Å; K1005-A1009 PolarHBondContact O-N 3.14Å; K1005-L1067 HydrophobicContact CG-CD1 4.38Å; K1005-L1067 HydrophobicContact CG-CD2 4.31Å; K1005-D1077 WeakPolarHBondContact CD-OD1 3.47Å; K1005-D1077 WeakPolarHBondContact CE-OD1 3.49Å; K1005-D1077 IonicContact NZ-OD1 3.57Å; K1005-D1077 PolarHBondContact NZ-OD1 3.48Å
1006	R	87.8	Confident	88.6	Confident	63 Å²	63	38.2 Å²	38.2	24%	0.238	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-43.1	177.1	-168.5	177.6	74.3	-176.7	4.6	112.7	Y813 T987 R1002 L1003 R1004 A1009 Y1010	Y813-R1006 HydrophobicContact CD1-CG 3.63Å; Y813-R1006 VanDerWaalsContact CE1-CD 3.5Å; Y813-R1006 HydrophobicContact CE1-CG 3.72Å; Y813-R1006 HydrophobicContact CG-CG 4.23Å; T987-R1006 HydrophobicContact CG2-CB 4.04Å; T987-R1006 HydrophobicContact CG2-CG 4.21Å; T987-R1006 VanDerWaalsContact CG2-NE 3.34Å; R1002-R1006 WeakPolarHBondContact O-CB 3.47Å; R1002-R1006 PolarHBondContact O-N 3.02Å; L1003-R1006 WeakPolarHBondContact O-CB 3.43Å; L1003-R1006 PolarHBondContact O-N 2.86Å; R1004-R1006 VanDerWaalsContact C-N 3.25Å; R1004-R1006 PolarHBondContact O-N 3.2Å; R1006-A1009 WeakPolarHBondContact O-CB 3.36Å; R1006-A1009 PolarHBondContact O-N 3.21Å; R1006-Y1010 HydrophobicContact CG-CD2 4.24Å; R1006-Y1010 HydrophobicContact CG-CE2 3.62Å; R1006-Y1010 WeakPolarHBondContact O-CD2 3.02Å; R1006-Y1010 PolarHBondContact O-N 2.88Å; R1006-Y1010 VanDerWaalsContact O-N 3.14Å
1007	S	89.8	Confident	88.9	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-44.7	175.9	179.8	0	0	0	0	111.8	I984 Y988 L1003 R1004 A1009 Y1010 L1011 F1058	I984-S1007 PolarHBondContact O-OG 2.76Å; Y988-S1007 WeakPolarHBondContact CB-OG 3.47Å; L1003-S1007 PolarHBondContact O-N 3.18Å; R1004-S1007 PolarHBondContact O-N 2.87Å; S1007-A1009 PolarHBondContact O-N 3.24Å; S1007-Y1010 PolarHBondContact O-N 2.95Å; S1007-L1011 PolarHBondContact O-N 3.44Å; S1007-L1011 VanDerWaalsContact O-N 3.13Å; S1007-F1058 WeakPolarHBondContact OG-CZ 3.37Å
1008	L	90.8	Very high	89.3	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-42.4	175.6	-66.6	174.1	0	0	0	111.9	R1004 K1005 Y1010 L1011 E1012 F1056 F1058 L1067	R1004-L1008 WeakPolarHBondContact O-CG 3.48Å; R1004-L1008 PolarHBondContact O-N 3.5Å; K1005-L1008 PolarHBondContact O-N 2.85Å; L1008-Y1010 VanDerWaalsContact C-N 3.32Å; L1008-Y1010 PolarHBondContact O-N 3.39Å; L1008-L1011 CarbonylContact O-C 3.49Å; L1008-L1011 WeakPolarHBondContact O-CB 3.29Å; L1008-L1011 PolarHBondContact O-N 2.94Å; L1008-L1011 VanDerWaalsContact O-N 3.08Å; L1008-E1012 WeakPolarHBondContact O-CG 3.35Å; L1008-E1012 PolarHBondContact O-N 3.28Å; L1008-F1056 HydrophobicContact CD2-CD1 4.3Å; L1008-F1058 HydrophobicContact CD2-CD2 4.16Å; L1008-F1058 HydrophobicContact CD2-CE2 3.75Å; L1008-F1058 HydrophobicContact CD2-CZ 4.46Å; L1008-F1058 HydrophobicContact CG-CE2 4.48Å; L1008-L1067 HydrophobicContact CD1-CB 4.07Å; L1008-L1067 HydrophobicContact CD1-CD1 4.3Å
1009	A	89	Confident	89.9	Confident	6 Å²	6	26 Å²	26	5%	0.05	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-40.6	175.5	0	0	0	0	0	113.4	K1005 R1006 S1007 L1011 E1012 R1013	K1005-A1009 WeakPolarHBondContact O-CB 3.48Å; K1005-A1009 PolarHBondContact O-N 3.14Å; R1006-A1009 WeakPolarHBondContact O-CB 3.36Å; R1006-A1009 PolarHBondContact O-N 3.21Å; S1007-A1009 PolarHBondContact O-N 3.24Å; A1009-L1011 VanDerWaalsContact C-N 3.33Å; A1009-E1012 PolarHBondContact O-N 2.97Å; A1009-R1013 WeakPolarHBondContact O-CG 3.33Å; A1009-R1013 PolarHBondContact O-N 3.37Å
1010	Y	89.4	Confident	90.4	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.027	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-39	174.7	-67.7	-56.3	0	0	0	111.8	E899 E983 I984 R1006 S1007 L1008 E1012 R1013 Y1014	E899-Y1010 HydrophobicContact CG-CE1 4.23Å; E983-Y1010 HydrophobicContact CB-CD1 4.5Å; E983-Y1010 HydrophobicContact CB-CD2 4.11Å; E983-Y1010 HydrophobicContact CB-CE2 4.12Å; E983-Y1010 HydrophobicContact CB-CG 4.31Å; E983-Y1010 WeakPolarHBondContact OE2-CE1 3.16Å; I984-Y1010 VanDerWaalsContact CG1-CB 3.43Å; R1006-Y1010 HydrophobicContact CG-CD2 4.24Å; R1006-Y1010 HydrophobicContact CG-CE2 3.62Å; R1006-Y1010 WeakPolarHBondContact O-CD2 3.02Å; R1006-Y1010 PolarHBondContact O-N 2.88Å; R1006-Y1010 VanDerWaalsContact O-N 3.14Å; S1007-Y1010 PolarHBondContact O-N 2.95Å; L1008-Y1010 VanDerWaalsContact C-N 3.32Å; L1008-Y1010 PolarHBondContact O-N 3.39Å; Y1010-E1012 VanDerWaalsContact C-N 3.34Å; Y1010-R1013 PolarHBondContact O-N 3.21Å; Y1010-Y1014 PolarHBondContact O-N 2.96Å; Y1010-Y1014 VanDerWaalsContact O-N 3.09Å
1011	L	91.7	Very high	90.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.2	-40.2	176.4	-175.6	64.5	0	0	0	110.8	F942 I945 I984 S1007 L1008 A1009 Y1014 F1015 F1056 F1058	F942-L1011 HydrophobicContact CB-CD1 4.1Å; F942-L1011 HydrophobicContact CD1-CD1 4.5Å; F942-L1011 HydrophobicContact CD2-CD1 3.36Å; F942-L1011 HydrophobicContact CE2-CD1 3.87Å; F942-L1011 HydrophobicContact CG-CD1 3.73Å; I945-L1011 HydrophobicContact CD1-CD1 4.27Å; I945-L1011 HydrophobicContact CG1-CD1 4.01Å; I984-L1011 HydrophobicContact CD1-CB 4.27Å; I984-L1011 HydrophobicContact CD1-CD1 4.05Å; I984-L1011 HydrophobicContact CG1-CB 4.36Å; I984-L1011 HydrophobicContact CG2-CB 4.03Å; I984-L1011 HydrophobicContact CG2-CD1 4.3Å; S1007-L1011 PolarHBondContact O-N 3.44Å; S1007-L1011 VanDerWaalsContact O-N 3.13Å; L1008-L1011 CarbonylContact O-C 3.49Å; L1008-L1011 WeakPolarHBondContact O-CB 3.29Å; L1008-L1011 PolarHBondContact O-N 2.94Å; L1008-L1011 VanDerWaalsContact O-N 3.08Å; A1009-L1011 VanDerWaalsContact C-N 3.33Å; L1011-Y1014 PolarHBondContact O-N 3.03Å; L1011-F1015 WeakPolarHBondContact O-CB 3.21Å; L1011-F1015 PolarHBondContact O-N 3.46Å; L1011-F1056 HydrophobicContact CB-CE1 3.85Å; L1011-F1056 HydrophobicContact CB-CZ 3.97Å; L1011-F1056 HydrophobicContact CD2-CD1 4.4Å; L1011-F1056 HydrophobicContact CD2-CE1 3.63Å; L1011-F1056 HydrophobicContact CD2-CZ 3.75Å; L1011-F1056 HydrophobicContact CG-CE1 3.7Å; L1011-F1056 HydrophobicContact CG-CE2 4.46Å; L1011-F1056 HydrophobicContact CG-CZ 3.49Å; L1011-F1056 VanDerWaalsContact CG-CZ 3.49Å; L1011-F1058 HydrophobicContact CD2-CD1 4.31Å; L1011-F1058 HydrophobicContact CD2-CE1 3.77Å; L1011-F1058 HydrophobicContact CD2-CZ 4.03Å
1012	E	91.6	Very high	91	Very high	5 Å²	5	14.4 Å²	14.4	2%	0.023	6%	0.06	C	C	.	.	H	α-helix	trans	-63.8	-44	174.5	-72.1	-171.3	163.4	0	0	111.8	L1008 A1009 Y1010 Y1014 F1015 F1016 F1056 R1073 W1074	L1008-E1012 WeakPolarHBondContact O-CG 3.35Å; L1008-E1012 PolarHBondContact O-N 3.28Å; A1009-E1012 PolarHBondContact O-N 2.97Å; Y1010-E1012 VanDerWaalsContact C-N 3.34Å; E1012-Y1014 VanDerWaalsContact C-N 3.27Å; E1012-Y1014 PolarHBondContact O-N 3.33Å; E1012-F1015 WeakPolarHBondContact O-CA 3.35Å; E1012-F1015 WeakPolarHBondContact O-CB 3.41Å; E1012-F1015 PolarHBondContact O-N 3.48Å; E1012-F1015 VanDerWaalsContact O-N 3.11Å; E1012-F1016 VanDerWaalsContact O-CD2 3.29Å; E1012-F1016 WeakPolarHBondContact O-CD2 3.42Å; E1012-F1016 PolarHBondContact O-N 3.07Å; E1012-F1056 HydrophobicContact CB-CE1 4.28Å; E1012-F1056 HydrophobicContact CB-CZ 4.24Å; E1012-F1056 HydrophobicContact CG-CD1 3.85Å; E1012-F1056 HydrophobicContact CG-CE1 3.28Å; E1012-F1056 HydrophobicContact CG-CE2 4.36Å; E1012-F1056 HydrophobicContact CG-CZ 3.55Å; E1012-R1073 IonicContact OE1-CZ 3.65Å; E1012-R1073 IonicContact OE1-NE 3.13Å; E1012-R1073 PolarHBondContact OE1-NE 3.43Å; E1012-R1073 IonicContact OE1-NH2 2.68Å; E1012-R1073 PolarHBondContact OE1-NH2 2.5Å; E1012-W1074 PolarHBondContact OE1-NE1 2.77Å; E1012-W1074 VanDerWaalsContact OE1-NE1 3.13Å; E1012-W1074 PolarHBondContact OE2-NE1 3.3Å
1013	R	92	Very high	91.6	Very high	5 Å²	5	9.5 Å²	9.5	2%	0.019	4%	0.042	C	C	.	.	H	α-helix	trans	-56.5	-44.7	175.3	-75.9	168.9	177.5	-168.2	-7.6	111.8	P811 N812 G814 L903 A1009 Y1010 F1016 L1017	P811-R1013 PolarHBondContact O-NH2 2.88Å; N812-R1013 VanDerWaalsContact O-CZ 3.3Å; N812-R1013 PolarHBondContact O-NH1 3Å; N812-R1013 VanDerWaalsContact O-NH1 3.1Å; N812-R1013 PolarHBondContact O-NH2 3.32Å; G814-R1013 PolarHBondContact O-NE 3.22Å; L903-R1013 HydrophobicContact CD2-CG 4.02Å; A1009-R1013 WeakPolarHBondContact O-CG 3.33Å; A1009-R1013 PolarHBondContact O-N 3.37Å; Y1010-R1013 PolarHBondContact O-N 3.21Å; R1013-F1016 PolarHBondContact O-N 3.35Å; R1013-L1017 VanDerWaalsContact O-CG 3.32Å; R1013-L1017 WeakPolarHBondContact O-CG 3.17Å; R1013-L1017 PolarHBondContact O-N 2.98Å
1014	Y	92	Very high	91.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.2	-40.8	176.9	-177.5	-126.7	0	0	0	112	I945 K959 V962 D963 L966 R981 I984 Y1010 L1011 E1012 F1016 L1017 I1018	I945-Y1014 HydrophobicContact CD1-CD1 3.72Å; I945-Y1014 HydrophobicContact CD1-CE1 4.08Å; I945-Y1014 HydrophobicContact CG1-CD1 3.92Å; I945-Y1014 HydrophobicContact CG1-CE1 3.95Å; I945-Y1014 HydrophobicContact CG2-CE1 3.9Å; K959-Y1014 WeakPolarHBondContact CE-OH 3.27Å; K959-Y1014 PolarHBondContact NZ-OH 2.87Å; V962-Y1014 HydrophobicContact CG1-CD2 4.31Å; V962-Y1014 HydrophobicContact CG1-CE2 4.03Å; D963-Y1014 PolarHBondContact OD1-OH 2.97Å; L966-Y1014 HydrophobicContact CD1-CD2 4.06Å; L966-Y1014 HydrophobicContact CD1-CE2 4.07Å; R981-Y1014 HydrophobicContact CG-CE1 4.47Å; R981-Y1014 HydrophobicContact CG-CE2 4.18Å; I984-Y1014 HydrophobicContact CD1-CD1 4.41Å; Y1010-Y1014 PolarHBondContact O-N 2.96Å; Y1010-Y1014 VanDerWaalsContact O-N 3.09Å; L1011-Y1014 PolarHBondContact O-N 3.03Å; E1012-Y1014 VanDerWaalsContact C-N 3.27Å; E1012-Y1014 PolarHBondContact O-N 3.33Å; Y1014-F1016 PolarHBondContact O-N 3.45Å; Y1014-L1017 PolarHBondContact O-N 2.96Å; Y1014-I1018 HydrophobicContact CD1-CD1 4.33Å; Y1014-I1018 HydrophobicContact CE1-CD1 4.01Å; Y1014-I1018 HydrophobicContact CE2-CD1 4.16Å; Y1014-I1018 HydrophobicContact CE2-CG1 4.41Å; Y1014-I1018 WeakPolarHBondContact O-CG1 3.32Å; Y1014-I1018 PolarHBondContact O-N 3.21Å; Y1014-I1018 VanDerWaalsContact O-N 3.16Å
1015	F	93.1	Very high	92	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-57.7	-47.3	172.7	-176.5	-84	0	0	0	112.1	I944 I945 L948 L1011 E1012 I1018 L1019 F1049 L1052 L1053 F1056	I944-F1015 HydrophobicContact CG2-CD2 4.19Å; I944-F1015 HydrophobicContact CG2-CE2 4.2Å; I945-F1015 HydrophobicContact CD1-CB 4.15Å; I945-F1015 HydrophobicContact CD1-CD2 4.23Å; L948-F1015 HydrophobicContact CB-CD2 4.39Å; L948-F1015 HydrophobicContact CB-CE2 3.97Å; L948-F1015 HydrophobicContact CD1-CE2 3.96Å; L948-F1015 HydrophobicContact CD1-CZ 3.95Å; L948-F1015 HydrophobicContact CD2-CD2 3.61Å; L948-F1015 HydrophobicContact CD2-CE2 3.7Å; L948-F1015 HydrophobicContact CD2-CG 4.03Å; L948-F1015 HydrophobicContact CD2-CZ 4.21Å; L948-F1015 HydrophobicContact CG-CD2 4.43Å; L948-F1015 HydrophobicContact CG-CE2 4.07Å; L1011-F1015 WeakPolarHBondContact O-CB 3.21Å; L1011-F1015 PolarHBondContact O-N 3.46Å; E1012-F1015 WeakPolarHBondContact O-CA 3.35Å; E1012-F1015 WeakPolarHBondContact O-CB 3.41Å; E1012-F1015 PolarHBondContact O-N 3.48Å; E1012-F1015 VanDerWaalsContact O-N 3.11Å; F1015-I1018 PolarHBondContact O-N 3.17Å; F1015-L1019 HydrophobicContact CD1-CD1 3.82Å; F1015-L1019 HydrophobicContact CD1-CG 4.37Å; F1015-L1019 HydrophobicContact CE1-CD1 3.42Å; F1015-L1019 VanDerWaalsContact CE1-CD1 3.42Å; F1015-L1019 HydrophobicContact CE1-CG 4.16Å; F1015-L1019 HydrophobicContact CZ-CD1 4.33Å; F1015-L1019 PolarHBondContact O-N 3.44Å; F1015-L1019 VanDerWaalsContact O-N 3.1Å; F1015-F1049 HydrophobicContact CE1-CD2 4.24Å; F1015-F1049 HydrophobicContact CZ-CB 4.35Å; F1015-F1049 HydrophobicContact CZ-CD2 4.3Å; F1015-L1052 HydrophobicContact CE2-CB 4.29Å; F1015-L1052 HydrophobicContact CE2-CD1 4.3Å; F1015-L1052 HydrophobicContact CZ-CB 4.47Å; F1015-L1053 HydrophobicContact CD1-CD2 3.88Å; F1015-L1053 HydrophobicContact CD1-CG 4.47Å; F1015-L1053 HydrophobicContact CE1-CD1 3.96Å; F1015-L1053 HydrophobicContact CE1-CD2 3.68Å; F1015-L1053 HydrophobicContact CE1-CG 3.78Å; F1015-L1053 HydrophobicContact CG-CD2 4.43Å; F1015-L1053 HydrophobicContact CZ-CD2 4.09Å; F1015-L1053 HydrophobicContact CZ-CG 4.01Å; F1015-F1056 HydrophobicContact CB-CE2 4.31Å; F1015-F1056 HydrophobicContact CB-CZ 4.4Å; F1015-F1056 AromaticContact CD2-CE2 3.96Å; F1015-F1056 HydrophobicContact CD2-CE2 3.96Å; F1015-F1056 HydrophobicContact CG-CE2 4.21Å
1016	F	93.1	Very high	92.2	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-69.8	-32.6	178	-83.2	-77.3	0	0	0	113.5	H815 P816 F821 E1012 R1013 Y1014 I1018 L1019 F1020 I1040 L1053 W1074	H815-F1016 HydrophobicContact CB-CD2 4.39Å; H815-F1016 HydrophobicContact CB-CE2 3.96Å; P816-F1016 HydrophobicContact CG-CB 4.04Å; P816-F1016 HydrophobicContact CG-CG 4.41Å; F821-F1016 HydrophobicContact CZ-CB 4.22Å; E1012-F1016 VanDerWaalsContact O-CD2 3.29Å; E1012-F1016 WeakPolarHBondContact O-CD2 3.42Å; E1012-F1016 PolarHBondContact O-N 3.07Å; R1013-F1016 PolarHBondContact O-N 3.35Å; Y1014-F1016 PolarHBondContact O-N 3.45Å; F1016-I1018 VanDerWaalsContact C-N 3.3Å; F1016-I1018 PolarHBondContact O-N 3.47Å; F1016-L1019 HydrophobicContact CD1-CD1 4.34Å; F1016-L1019 PolarHBondContact O-N 2.93Å; F1016-F1020 VanDerWaalsContact O-CB 3.28Å; F1016-F1020 WeakPolarHBondContact O-CB 3.46Å; F1016-F1020 PolarHBondContact O-N 3.26Å; F1016-I1040 HydrophobicContact CD1-CD1 4.48Å; F1016-I1040 HydrophobicContact CE1-CD1 4.24Å; F1016-L1053 HydrophobicContact CZ-CD1 4.26Å; F1016-W1074 HydrophobicContact CE2-CZ2 4.32Å; F1016-W1074 HydrophobicContact CZ-CH2 4.32Å; F1016-W1074 HydrophobicContact CZ-CZ2 4.31Å
1017	L	93.7	Very high	92.4	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-62.2	-39.3	172.6	-77.1	171.5	0	0	0	111.7	L903 A906 I907 L910 V962 L966 R1013 Y1014 F1020 N1021	L903-L1017 HydrophobicContact CD1-CD1 3.87Å; L903-L1017 HydrophobicContact CD1-CD2 3.9Å; L903-L1017 HydrophobicContact CD1-CG 3.96Å; A906-L1017 HydrophobicContact CB-CD2 4.49Å; I907-L1017 HydrophobicContact CG1-CD2 3.83Å; L910-L1017 HydrophobicContact CD1-CD2 4.1Å; V962-L1017 HydrophobicContact CG1-CB 3.88Å; L966-L1017 HydrophobicContact CD2-CD1 4.16Å; R1013-L1017 VanDerWaalsContact O-CG 3.32Å; R1013-L1017 WeakPolarHBondContact O-CG 3.17Å; R1013-L1017 PolarHBondContact O-N 2.98Å; Y1014-L1017 PolarHBondContact O-N 2.96Å; L1017-F1020 PolarHBondContact O-N 3.18Å; L1017-N1021 WeakPolarHBondContact O-CB 3.44Å; L1017-N1021 PolarHBondContact O-N 3.09Å
1018	I	93.7	Very high	92.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.1	-45.8	175.3	-65.1	167.9	0	0	0	110.6	I945 L948 L952 I958 V962 Y1014 F1015 F1016 F1020 N1021 A1022	I945-I1018 HydrophobicContact CD1-CD1 4.17Å; I945-I1018 HydrophobicContact CG2-CD1 3.77Å; L948-I1018 HydrophobicContact CD2-CB 3.99Å; L948-I1018 HydrophobicContact CD2-CD1 4.43Å; L948-I1018 HydrophobicContact CD2-CG2 3.74Å; L948-I1018 HydrophobicContact CG-CG2 4.4Å; L952-I1018 HydrophobicContact CD1-CG2 3.73Å; I958-I1018 HydrophobicContact CG2-CG2 4.03Å; I958-I1018 WeakPolarHBondContact CG2-O 3.25Å; V962-I1018 HydrophobicContact CG2-CG1 4.36Å; Y1014-I1018 HydrophobicContact CD1-CD1 4.33Å; Y1014-I1018 HydrophobicContact CE1-CD1 4.01Å; Y1014-I1018 HydrophobicContact CE2-CD1 4.16Å; Y1014-I1018 HydrophobicContact CE2-CG1 4.41Å; Y1014-I1018 WeakPolarHBondContact O-CG1 3.32Å; Y1014-I1018 PolarHBondContact O-N 3.21Å; Y1014-I1018 VanDerWaalsContact O-N 3.16Å; F1015-I1018 PolarHBondContact O-N 3.17Å; F1016-I1018 VanDerWaalsContact C-N 3.3Å; F1016-I1018 PolarHBondContact O-N 3.47Å; I1018-F1020 VanDerWaalsContact C-N 3.34Å; I1018-F1020 PolarHBondContact O-N 3.26Å; I1018-N1021 PolarHBondContact O-N 2.93Å; I1018-A1022 PolarHBondContact O-N 3.24Å
1019	L	93.7	Very high	92.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-42	175.1	-74.3	179.1	0	0	0	112.3	L948 L952 F1015 F1016 N1021 A1022 Y1023 F1036 F1049	L948-L1019 HydrophobicContact CD1-CD2 3.85Å; L948-L1019 HydrophobicContact CD1-CG 4.43Å; L952-L1019 HydrophobicContact CD1-CD2 4.42Å; L952-L1019 HydrophobicContact CD2-CD2 4.2Å; F1015-L1019 HydrophobicContact CD1-CD1 3.82Å; F1015-L1019 HydrophobicContact CD1-CG 4.37Å; F1015-L1019 HydrophobicContact CE1-CD1 3.42Å; F1015-L1019 VanDerWaalsContact CE1-CD1 3.42Å; F1015-L1019 HydrophobicContact CE1-CG 4.16Å; F1015-L1019 HydrophobicContact CZ-CD1 4.33Å; F1015-L1019 PolarHBondContact O-N 3.44Å; F1015-L1019 VanDerWaalsContact O-N 3.1Å; F1016-L1019 HydrophobicContact CD1-CD1 4.34Å; F1016-L1019 PolarHBondContact O-N 2.93Å; L1019-N1021 VanDerWaalsContact C-N 3.35Å; L1019-A1022 WeakPolarHBondContact O-CB 3.2Å; L1019-A1022 PolarHBondContact O-N 3.42Å; L1019-Y1023 PolarHBondContact O-N 2.9Å; L1019-F1036 HydrophobicContact CB-CZ 4.37Å; L1019-F1049 HydrophobicContact CD1-CD2 3.84Å; L1019-F1049 HydrophobicContact CD1-CE2 3.62Å; L1019-F1049 HydrophobicContact CD1-CZ 4.31Å; L1019-F1049 HydrophobicContact CD2-CD2 4.41Å; L1019-F1049 HydrophobicContact CD2-CE2 4.45Å; L1019-F1049 HydrophobicContact CD2-CG 4.45Å
1020	F	95.3	Very high	92.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.6	-40.4	177.7	-177.4	-115.2	0	0	0	111.6	F821 I907 L910 I911 F1016 L1017 I1018 A1022 Y1023 L1024 F1036	F821-F1020 HydrophobicContact CB-CD2 3.83Å; F821-F1020 HydrophobicContact CB-CE2 3.62Å; F821-F1020 HydrophobicContact CB-CZ 4.14Å; F821-F1020 HydrophobicContact CD1-CB 3.91Å; F821-F1020 AromaticContact CD1-CD1 3.66Å; F821-F1020 HydrophobicContact CD1-CD1 3.66Å; F821-F1020 AromaticContact CD1-CD2 3.56Å; F821-F1020 HydrophobicContact CD1-CD2 3.56Å; F821-F1020 HydrophobicContact CD1-CE1 4Å; F821-F1020 AromaticContact CD1-CE2 3.95Å; F821-F1020 HydrophobicContact CD1-CE2 3.95Å; F821-F1020 AromaticContact CD1-CG 3.4Å; F821-F1020 HydrophobicContact CD1-CG 3.4Å; F821-F1020 VanDerWaalsContact CD1-CG 3.4Å; F821-F1020 HydrophobicContact CD1-CZ 4.14Å; F821-F1020 HydrophobicContact CE1-CB 3.83Å; F821-F1020 HydrophobicContact CE1-CD1 4.08Å; F821-F1020 HydrophobicContact CE1-CD2 4.35Å; F821-F1020 AromaticContact CE1-CG 3.83Å; F821-F1020 HydrophobicContact CE1-CG 3.83Å; F821-F1020 AromaticContact CG-CD2 3.92Å; F821-F1020 HydrophobicContact CG-CD2 3.92Å; F821-F1020 HydrophobicContact CG-CE2 4.17Å; F821-F1020 HydrophobicContact CG-CG 4.22Å; I907-F1020 HydrophobicContact CG2-CD1 4.44Å; I907-F1020 HydrophobicContact CG2-CE1 3.81Å; I907-F1020 HydrophobicContact CG2-CZ 4.31Å; L910-F1020 HydrophobicContact CD1-CD1 4.42Å; I911-F1020 HydrophobicContact CD1-CE1 4.14Å; I911-F1020 HydrophobicContact CD1-CZ 4.01Å; I911-F1020 HydrophobicContact CG1-CE1 3.86Å; I911-F1020 HydrophobicContact CG1-CZ 3.89Å; F1016-F1020 VanDerWaalsContact O-CB 3.28Å; F1016-F1020 WeakPolarHBondContact O-CB 3.46Å; F1016-F1020 PolarHBondContact O-N 3.26Å; L1017-F1020 PolarHBondContact O-N 3.18Å; I1018-F1020 VanDerWaalsContact C-N 3.34Å; I1018-F1020 PolarHBondContact O-N 3.26Å; F1020-A1022 VanDerWaalsContact C-N 3.3Å; F1020-A1022 PolarHBondContact O-N 2.82Å; F1020-Y1023 AromaticContact CD2-CD1 3.74Å; F1020-Y1023 HydrophobicContact CD2-CD1 3.74Å; F1020-Y1023 HydrophobicContact CD2-CE1 4.38Å; F1020-Y1023 AromaticContact CE2-CD1 3.6Å; F1020-Y1023 HydrophobicContact CE2-CD1 3.6Å; F1020-Y1023 AromaticContact CE2-CE1 3.81Å; F1020-Y1023 HydrophobicContact CE2-CE1 3.81Å; F1020-Y1023 WeakPolarHBondContact O-CB 3.31Å; F1020-Y1023 PolarHBondContact O-N 2.69Å; F1020-L1024 HydrophobicContact CD1-CD1 4.03Å; F1020-L1024 HydrophobicContact CD1-CG 4.35Å; F1020-L1024 HydrophobicContact CE1-CD1 3.65Å; F1020-L1024 HydrophobicContact CE1-CD2 4.23Å; F1020-L1024 HydrophobicContact CE1-CG 4Å; F1020-L1024 HydrophobicContact CE2-CD2 4.27Å; F1020-L1024 HydrophobicContact CE2-CG 4.39Å; F1020-L1024 HydrophobicContact CZ-CD1 4.12Å; F1020-L1024 HydrophobicContact CZ-CD2 3.83Å; F1020-L1024 HydrophobicContact CZ-CG 4.03Å; F1020-L1024 WeakPolarHBondContact O-CG 3.49Å; F1020-L1024 PolarHBondContact O-N 2.87Å; F1020-F1036 HydrophobicContact CB-CE1 4.36Å; F1020-F1036 HydrophobicContact CB-CE2 4.05Å; F1020-F1036 HydrophobicContact CB-CZ 3.83Å; F1020-F1036 HydrophobicContact CD2-CB 4.28Å; F1020-F1036 AromaticContact CD2-CD1 3.99Å; F1020-F1036 HydrophobicContact CD2-CD1 3.99Å; F1020-F1036 AromaticContact CD2-CD2 3.76Å; F1020-F1036 HydrophobicContact CD2-CD2 3.76Å; F1020-F1036 HydrophobicContact CD2-CE1 4.17Å; F1020-F1036 AromaticContact CD2-CE2 3.97Å; F1020-F1036 HydrophobicContact CD2-CE2 3.97Å; F1020-F1036 AromaticContact CD2-CG 3.75Å; F1020-F1036 HydrophobicContact CD2-CG 3.75Å; F1020-F1036 HydrophobicContact CD2-CZ 4.13Å; F1020-F1036 HydrophobicContact CE2-CB 4.3Å; F1020-F1036 HydrophobicContact CE2-CG 4.26Å; F1020-F1036 HydrophobicContact CG-CZ 4.48Å
1021	N	94.3	Very high	92.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-34.1	174.5	-167.7	40.5	0	0	0	112.2	L910 H914 I958 E961 V962 L1017 I1018 L1019 L1024 H1025	L910-N1021 HydrophobicContact CD1-CB 4.43Å; L910-N1021 HydrophobicContact CD2-CB 4.28Å; H914-N1021 PolarHBondContact NE2-OD1 2.93Å; I958-N1021 HydrophobicContact CG2-CB 3.84Å; I958-N1021 PolarHBondContact O-ND2 3.35Å; E961-N1021 WeakPolarHBondContact CB-ND2 3.35Å; E961-N1021 PolarHBondContact OE2-ND2 3.37Å; V962-N1021 HydrophobicContact CG2-CB 3.57Å; L1017-N1021 WeakPolarHBondContact O-CB 3.44Å; L1017-N1021 PolarHBondContact O-N 3.09Å; I1018-N1021 PolarHBondContact O-N 2.93Å; L1019-N1021 VanDerWaalsContact C-N 3.35Å; N1021-L1024 PolarHBondContact O-N 2.96Å; N1021-H1025 PolarHBondContact O-CD2 3.02Å; N1021-H1025 PolarHBondContact O-N 3.26Å; N1021-H1025 VanDerWaalsContact O-N 3.17Å
1022	A	93.3	Very high	92.1	Very high	7 Å²	7	31.2 Å²	31.2	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-44	171.7	0	0	0	0	0	112.1	L952 I958 I1018 L1019 F1020 H1025 D1026 W1039	L952-A1022 HydrophobicContact CD1-CB 4.22Å; L952-A1022 HydrophobicContact CD2-CB 4.12Å; I958-A1022 HydrophobicContact CD1-CB 3.78Å; I958-A1022 HydrophobicContact CG2-CB 4.25Å; I1018-A1022 PolarHBondContact O-N 3.24Å; L1019-A1022 WeakPolarHBondContact O-CB 3.2Å; L1019-A1022 PolarHBondContact O-N 3.42Å; F1020-A1022 VanDerWaalsContact C-N 3.3Å; F1020-A1022 PolarHBondContact O-N 2.82Å; A1022-H1025 PolarHBondContact O-N 3.43Å; A1022-D1026 PolarHBondContact O-N 2.76Å; A1022-W1039 HydrophobicContact CB-CH2 4.08Å
1023	Y	94.5	Very high	92	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-47	172.1	158.5	-98.9	0	0	0	112.1	L825 L1019 F1020 H1025 D1026 Q1027 W1032 I1034 F1036 W1039	L825-Y1023 HydrophobicContact CD2-CE1 3.82Å; L825-Y1023 WeakPolarHBondContact CD2-OH 3.3Å; L1019-Y1023 PolarHBondContact O-N 2.9Å; F1020-Y1023 AromaticContact CD2-CD1 3.74Å; F1020-Y1023 HydrophobicContact CD2-CD1 3.74Å; F1020-Y1023 HydrophobicContact CD2-CE1 4.38Å; F1020-Y1023 AromaticContact CE2-CD1 3.6Å; F1020-Y1023 HydrophobicContact CE2-CD1 3.6Å; F1020-Y1023 AromaticContact CE2-CE1 3.81Å; F1020-Y1023 HydrophobicContact CE2-CE1 3.81Å; F1020-Y1023 WeakPolarHBondContact O-CB 3.31Å; F1020-Y1023 PolarHBondContact O-N 2.69Å; Y1023-H1025 VanDerWaalsContact C-N 3.29Å; Y1023-H1025 PolarHBondContact O-N 3.47Å; Y1023-D1026 PolarHBondContact O-N 2.88Å; Y1023-Q1027 HydrophobicContact CD2-CB 4.37Å; Y1023-Q1027 HydrophobicContact CD2-CG 3.64Å; Y1023-Q1027 HydrophobicContact CE2-CB 4.07Å; Y1023-Q1027 HydrophobicContact CE2-CG 3.46Å; Y1023-Q1027 VanDerWaalsContact CE2-CG 3.46Å; Y1023-Q1027 WeakPolarHBondContact O-CB 3.46Å; Y1023-Q1027 PolarHBondContact O-N 2.84Å; Y1023-W1032 AromaticContact CE1-CD1 3.91Å; Y1023-I1034 WeakPolarHBondContact CE2-O 3.34Å; Y1023-I1034 PolarHBondContact OH-O 2.87Å; Y1023-F1036 HydrophobicContact CD1-CB 4.23Å; Y1023-F1036 AromaticContact CD1-CD2 3.92Å; Y1023-F1036 HydrophobicContact CD1-CD2 3.92Å; Y1023-F1036 HydrophobicContact CD1-CG 4.43Å; Y1023-F1036 HydrophobicContact CD2-CB 4.47Å; Y1023-F1036 HydrophobicContact CD2-CD2 4.05Å; Y1023-F1036 HydrophobicContact CE1-CB 4.14Å; Y1023-F1036 HydrophobicContact CE2-CB 4.31Å; Y1023-F1036 HydrophobicContact CG-CB 4.41Å; Y1023-F1036 AromaticContact CG-CD2 3.59Å; Y1023-F1036 HydrophobicContact CG-CD2 3.59Å; Y1023-F1036 HydrophobicContact CG-CE2 4.35Å; Y1023-F1036 HydrophobicContact CG-CG 4.44Å; Y1023-W1039 HydrophobicContact CD2-CB 3.49Å; Y1023-W1039 VanDerWaalsContact CD2-CB 3.49Å; Y1023-W1039 AromaticContact CD2-CD1 3.92Å; Y1023-W1039 AromaticContact CD2-CD2 3.74Å; Y1023-W1039 HydrophobicContact CD2-CD2 3.74Å; Y1023-W1039 HydrophobicContact CD2-CE3 4.19Å; Y1023-W1039 AromaticContact CD2-CG 3.43Å; Y1023-W1039 HydrophobicContact CD2-CG 3.43Å; Y1023-W1039 VanDerWaalsContact CD2-CG 3.43Å; Y1023-W1039 HydrophobicContact CE2-CB 3.8Å; Y1023-W1039 HydrophobicContact CE2-CG 4.17Å; Y1023-W1039 HydrophobicContact CG-CD2 4.26Å; Y1023-W1039 HydrophobicContact CG-CE3 4.37Å; Y1023-W1039 HydrophobicContact CG-CG 4.38Å
1024	L	94.2	Very high	92	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-43.2	-179.3	-71.4	176.9	0	0	0	111	L825 L910 I911 H914 F1020 N1021 Q1028 W1032	L825-L1024 HydrophobicContact CD1-CD2 4.23Å; L910-L1024 HydrophobicContact CB-CD1 3.95Å; I911-L1024 HydrophobicContact CG1-CD1 4.24Å; I911-L1024 HydrophobicContact CG1-CD2 4.28Å; H914-L1024 VanDerWaalsContact CD2-CD1 3.47Å; H914-L1024 WeakPolarHBondContact CD2-CD1 3.43Å; H914-L1024 WeakPolarHBondContact NE2-CB 3.09Å; F1020-L1024 HydrophobicContact CD1-CD1 4.03Å; F1020-L1024 HydrophobicContact CD1-CG 4.35Å; F1020-L1024 HydrophobicContact CE1-CD1 3.65Å; F1020-L1024 HydrophobicContact CE1-CD2 4.23Å; F1020-L1024 HydrophobicContact CE1-CG 4Å; F1020-L1024 HydrophobicContact CE2-CD2 4.27Å; F1020-L1024 HydrophobicContact CE2-CG 4.39Å; F1020-L1024 HydrophobicContact CZ-CD1 4.12Å; F1020-L1024 HydrophobicContact CZ-CD2 3.83Å; F1020-L1024 HydrophobicContact CZ-CG 4.03Å; F1020-L1024 WeakPolarHBondContact O-CG 3.49Å; F1020-L1024 PolarHBondContact O-N 2.87Å; N1021-L1024 PolarHBondContact O-N 2.96Å; L1024-Q1028 WeakPolarHBondContact O-CB 3.31Å; L1024-Q1028 PolarHBondContact O-N 2.85Å; L1024-W1032 PolarHBondContact O-NE1 3.13Å
1025	H	92.1	Very high	92.1	Very high	32 Å²	32	43.6 Å²	43.6	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-47.1	174.1	-87.5	-72.8	0	0	0	113.5	H914 R954 E961 N1021 A1022 Y1023 Q1027 P1029	H914-H1025 AromaticContact CE1-CD2 3.43Å; H914-H1025 PolarHBondContact CE1-CD2 3.34Å; H914-H1025 VanDerWaalsContact CE1-CD2 3.43Å; H914-H1025 AromaticContact CE1-CE1 3.66Å; H914-H1025 AromaticContact CE1-CG 3.62Å; H914-H1025 AromaticContact CE1-ND1 3.81Å; H914-H1025 AromaticContact CE1-NE2 3.46Å; H914-H1025 PolarHBondContact CE1-NE2 3.04Å; H914-H1025 AromaticContact NE2-CD2 3.82Å; H914-H1025 AromaticContact NE2-NE2 3.81Å; R954-H1025 PolarHBondContact NH2-ND1 2.6Å; E961-H1025 IonicContact OE1-CE1 3.03Å; E961-H1025 IonicContact OE1-NE2 3.42Å; E961-H1025 PolarHBondContact OE1-NE2 2.79Å; E961-H1025 IonicContact OE2-CD2 2.75Å; E961-H1025 IonicContact OE2-CE1 3.22Å; E961-H1025 IonicContact OE2-NE2 3.98Å; E961-H1025 PolarHBondContact OE2-NE2 3.02Å; N1021-H1025 PolarHBondContact O-CD2 3.02Å; N1021-H1025 PolarHBondContact O-N 3.26Å; N1021-H1025 VanDerWaalsContact O-N 3.17Å; A1022-H1025 PolarHBondContact O-N 3.43Å; Y1023-H1025 VanDerWaalsContact C-N 3.29Å; Y1023-H1025 PolarHBondContact O-N 3.47Å; H1025-Q1027 VanDerWaalsContact C-N 3.33Å; H1025-Q1027 PolarHBondContact O-N 2.88Å; H1025-P1029 WeakPolarHBondContact O-CD 3.46Å
1026	D	91	Very high	92.1	Very high	69 Å²	69	43.6 Å²	43.6	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-36.3	-178	175.8	56.6	0	0	0	112.3	A1022 Y1023 K1030 W1039	A1022-D1026 PolarHBondContact O-N 2.76Å; Y1023-D1026 PolarHBondContact O-N 2.88Å; D1026-K1030 IonicContact OD1-NZ 3.65Å; D1026-K1030 IonicContact OD2-NZ 3.47Å; D1026-W1039 PolarHBondContact OD2-NE1 3.22Å
1027	Q	92.3	Very high	91.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-96.4	-11	-174.4	-64.5	-64	-47.1	0	0	114.3	Y1023 H1025 K1030 R1031 W1032	Y1023-Q1027 HydrophobicContact CD2-CB 4.37Å; Y1023-Q1027 HydrophobicContact CD2-CG 3.64Å; Y1023-Q1027 HydrophobicContact CE2-CB 4.07Å; Y1023-Q1027 HydrophobicContact CE2-CG 3.46Å; Y1023-Q1027 VanDerWaalsContact CE2-CG 3.46Å; Y1023-Q1027 WeakPolarHBondContact O-CB 3.46Å; Y1023-Q1027 PolarHBondContact O-N 2.84Å; H1025-Q1027 VanDerWaalsContact C-N 3.33Å; H1025-Q1027 PolarHBondContact O-N 2.88Å; Q1027-K1030 CarbonylContact O-C 3.56Å; Q1027-K1030 WeakPolarHBondContact O-CA 3.21Å; Q1027-K1030 PolarHBondContact O-N 2.89Å; Q1027-R1031 PolarHBondContact O-N 3.26Å; Q1027-W1032 HydrophobicContact CB-CG 4.32Å; Q1027-W1032 PolarHBondContact O-N 2.98Å
1028	Q	87.5	Confident	91.7	Very high	80 Å²	80	48.6 Å²	48.6	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-47	176	-179	-175	38.1	0	0	112.6	H914 L1024 K1030 R1031 W1032	H914-Q1028 PolarHBondContact O-NE2 2.91Å; L1024-Q1028 WeakPolarHBondContact O-CB 3.31Å; L1024-Q1028 PolarHBondContact O-N 2.85Å; Q1028-K1030 PolarHBondContact O-N 2.94Å; Q1028-R1031 PolarHBondContact O-N 3.01Å; Q1028-R1031 VanDerWaalsContact O-N 3.12Å; Q1028-W1032 HydrophobicContact CB-CZ2 3.87Å; Q1028-W1032 HydrophobicContact CG-CH2 4.17Å; Q1028-W1032 HydrophobicContact CG-CZ2 3.96Å
1029	P	87.3	Confident	91.7	Very high	110 Å²	110	49.8 Å²	49.8	71%	0.714	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.8	175.7	-20.6	33.1	0	0	0	113.1	H1025 R1031	H1025-P1029 WeakPolarHBondContact O-CD 3.46Å; P1029-R1031 VanDerWaalsContact C-N 3.29Å
1030	K	90.2	Very high	91.5	Very high	98 Å²	98	49.8 Å²	49.8	43%	0.426	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.2	179.8	-61.2	169	-170	155.8	0	112.5	D1026 Q1027 Q1028 K1033	D1026-K1030 IonicContact OD1-NZ 3.65Å; D1026-K1030 IonicContact OD2-NZ 3.47Å; Q1027-K1030 CarbonylContact O-C 3.56Å; Q1027-K1030 WeakPolarHBondContact O-CA 3.21Å; Q1027-K1030 PolarHBondContact O-N 2.89Å; Q1028-K1030 PolarHBondContact O-N 2.94Å; K1030-K1033 WeakPolarHBondContact O-CD 3.21Å; K1030-K1033 VanDerWaalsContact O-CG 3.29Å; K1030-K1033 WeakPolarHBondContact O-CG 3.43Å
1031	R	88.4	Confident	91.2	Very high	208 Å²	208	52.4 Å²	52.4	79%	0.785	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	40	-173.8	-58.6	-173.6	172.5	-170.6	-1.7	114.1	Q1027 Q1028 P1029 K1033	Q1027-R1031 PolarHBondContact O-N 3.26Å; Q1028-R1031 PolarHBondContact O-N 3.01Å; Q1028-R1031 VanDerWaalsContact O-N 3.12Å; P1029-R1031 VanDerWaalsContact C-N 3.29Å; R1031-K1033 VanDerWaalsContact C-N 3.28Å; R1031-K1033 PolarHBondContact O-N 2.97Å
1032	W	91.4	Very high	90.9	Very high	37 Å²	37	56.5 Å²	56.5	14%	0.14	27%	0.27	C	S	.	.	S	Bend	trans	52.3	42.6	175.3	-52.3	-78.9	0	0	0	113.9	L825 L829 H914 L915 Y1023 L1024 Q1027 Q1028 I1034	L825-W1032 HydrophobicContact CD1-CG 4.46Å; L825-W1032 HydrophobicContact CD2-CB 4.12Å; L825-W1032 HydrophobicContact CD2-CG 4.23Å; L829-W1032 HydrophobicContact CD1-CB 4.36Å; L829-W1032 HydrophobicContact CD1-CE3 4.3Å; L829-W1032 HydrophobicContact CD2-CE3 3.68Å; L829-W1032 HydrophobicContact CD2-CZ3 3.78Å; H914-W1032 HydrophobicContact CB-CZ2 4.14Å; L915-W1032 HydrophobicContact CD2-CH2 3.65Å; L915-W1032 HydrophobicContact CD2-CZ3 3.62Å; L915-W1032 HydrophobicContact CG-CH2 4.42Å; Y1023-W1032 AromaticContact CE1-CD1 3.91Å; L1024-W1032 PolarHBondContact O-NE1 3.13Å; Q1027-W1032 HydrophobicContact CB-CG 4.32Å; Q1027-W1032 PolarHBondContact O-N 2.98Å; Q1028-W1032 HydrophobicContact CB-CZ2 3.87Å; Q1028-W1032 HydrophobicContact CG-CH2 4.17Å; Q1028-W1032 HydrophobicContact CG-CZ2 3.96Å; W1032-I1034 VanDerWaalsContact C-N 3.27Å; W1032-I1034 PolarHBondContact O-N 3.11Å
1033	K	89.3	Confident	90.6	Very high	182 Å²	182	56.6 Å²	56.6	79%	0.791	27%	0.271	S	S	*	.			trans	-66.1	-29.7	177.4	-79.3	175.3	-177.9	-174	0	113.3	K1030 R1031	K1030-K1033 WeakPolarHBondContact O-CD 3.21Å; K1030-K1033 VanDerWaalsContact O-CG 3.29Å; K1030-K1033 WeakPolarHBondContact O-CG 3.43Å; R1031-K1033 VanDerWaalsContact C-N 3.28Å; R1031-K1033 PolarHBondContact O-N 2.97Å
1034	I	92.3	Very high	90.1	Very high	51 Å²	51	56.7 Å²	56.7	26%	0.262	27%	0.271	S	S	.	.	S	Bend	trans	-103.6	136.5	179.5	-57.6	173.3	0	0	0	107.3	Y1023 W1032 V1038	Y1023-I1034 WeakPolarHBondContact CE2-O 3.34Å; Y1023-I1034 PolarHBondContact OH-O 2.87Å; W1032-I1034 VanDerWaalsContact C-N 3.27Å; W1032-I1034 PolarHBondContact O-N 3.11Å; I1034-V1038 HydrophobicContact CG2-CB 3.58Å; I1034-V1038 HydrophobicContact CG2-CG1 3.48Å; I1034-V1038 VanDerWaalsContact CG2-CG1 3.48Å
1035	S	92.3	Very high	89.5	Confident	37 Å²	37	61 Å²	61	26%	0.259	29%	0.292	S	S	.	.			trans	-67.5	158	175.9	63	0	0	0	0	111.4	D822 E1037 V1038 W1039	D822-S1035 VanDerWaalsContact OD1-CA 3.28Å; D822-S1035 WeakPolarHBondContact OD1-CA 3.35Å; D822-S1035 VanDerWaalsContact OD1-CB 3.31Å; D822-S1035 WeakPolarHBondContact OD1-CB 3.05Å; D822-S1035 WeakPolarHBondContact OD2-CB 3.41Å; S1035-E1037 PolarHBondContact O-N 3.42Å; S1035-V1038 PolarHBondContact O-N 2.91Å; S1035-V1038 WeakPolarHBondContact OG-CG2 3.33Å; S1035-V1038 PolarHBondContact OG-N 3.18Å; S1035-W1039 WeakPolarHBondContact O-CB 3.44Å; S1035-W1039 PolarHBondContact O-N 3.37Å
1036	F	93.5	Very high	88.8	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-38	173.2	179.3	-126.4	0	0	0	111.5	P818 F821 D822 L1019 F1020 Y1023 V1038 W1039 I1040	P818-F1036 HydrophobicContact CB-CD1 4.02Å; P818-F1036 HydrophobicContact CB-CE1 4.47Å; F821-F1036 HydrophobicContact CB-CB 4.39Å; F821-F1036 HydrophobicContact CB-CD1 3.72Å; F821-F1036 HydrophobicContact CB-CE1 4.34Å; F821-F1036 HydrophobicContact CB-CG 4.34Å; F821-F1036 HydrophobicContact CD1-CE1 4.41Å; F821-F1036 AromaticContact CD2-CD1 3.67Å; F821-F1036 HydrophobicContact CD2-CD1 3.67Å; F821-F1036 AromaticContact CD2-CE1 3.58Å; F821-F1036 HydrophobicContact CD2-CE1 3.58Å; F821-F1036 HydrophobicContact CE2-CD1 4.38Å; F821-F1036 AromaticContact CE2-CE1 3.82Å; F821-F1036 HydrophobicContact CE2-CE1 3.82Å; F821-F1036 AromaticContact CG-CD1 3.76Å; F821-F1036 HydrophobicContact CG-CD1 3.76Å; F821-F1036 AromaticContact CG-CE1 3.88Å; F821-F1036 HydrophobicContact CG-CE1 3.88Å; F821-F1036 HydrophobicContact CZ-CE1 4.35Å; D822-F1036 PolarHBondContact OD1-N 2.82Å; D822-F1036 PolarHBondContact OD2-N 3.01Å; L1019-F1036 HydrophobicContact CB-CZ 4.37Å; F1020-F1036 HydrophobicContact CB-CE1 4.36Å; F1020-F1036 HydrophobicContact CB-CE2 4.05Å; F1020-F1036 HydrophobicContact CB-CZ 3.83Å; F1020-F1036 HydrophobicContact CD2-CB 4.28Å; F1020-F1036 AromaticContact CD2-CD1 3.99Å; F1020-F1036 HydrophobicContact CD2-CD1 3.99Å; F1020-F1036 AromaticContact CD2-CD2 3.76Å; F1020-F1036 HydrophobicContact CD2-CD2 3.76Å; F1020-F1036 HydrophobicContact CD2-CE1 4.17Å; F1020-F1036 AromaticContact CD2-CE2 3.97Å; F1020-F1036 HydrophobicContact CD2-CE2 3.97Å; F1020-F1036 AromaticContact CD2-CG 3.75Å; F1020-F1036 HydrophobicContact CD2-CG 3.75Å; F1020-F1036 HydrophobicContact CD2-CZ 4.13Å; F1020-F1036 HydrophobicContact CE2-CB 4.3Å; F1020-F1036 HydrophobicContact CE2-CG 4.26Å; F1020-F1036 HydrophobicContact CG-CZ 4.48Å; Y1023-F1036 HydrophobicContact CD1-CB 4.23Å; Y1023-F1036 AromaticContact CD1-CD2 3.92Å; Y1023-F1036 HydrophobicContact CD1-CD2 3.92Å; Y1023-F1036 HydrophobicContact CD1-CG 4.43Å; Y1023-F1036 HydrophobicContact CD2-CB 4.47Å; Y1023-F1036 HydrophobicContact CD2-CD2 4.05Å; Y1023-F1036 HydrophobicContact CE1-CB 4.14Å; Y1023-F1036 HydrophobicContact CE2-CB 4.31Å; Y1023-F1036 HydrophobicContact CG-CB 4.41Å; Y1023-F1036 AromaticContact CG-CD2 3.59Å; Y1023-F1036 HydrophobicContact CG-CD2 3.59Å; Y1023-F1036 HydrophobicContact CG-CE2 4.35Å; Y1023-F1036 HydrophobicContact CG-CG 4.44Å; F1036-V1038 PolarHBondContact O-N 2.97Å; F1036-W1039 HydrophobicContact CD2-CE3 4.03Å; F1036-W1039 AromaticContact CE2-CE3 3.97Å; F1036-W1039 HydrophobicContact CE2-CE3 3.97Å; F1036-W1039 HydrophobicContact CE2-CZ3 4.04Å; F1036-W1039 PolarHBondContact O-N 3.33Å; F1036-I1040 HydrophobicContact CD1-CD1 3.79Å; F1036-I1040 HydrophobicContact CD2-CD1 4.12Å; F1036-I1040 HydrophobicContact CD2-CG1 4.04Å; F1036-I1040 HydrophobicContact CE1-CD1 3.3Å; F1036-I1040 HydrophobicContact CE1-CG1 4.23Å; F1036-I1040 HydrophobicContact CE2-CD1 3.67Å; F1036-I1040 HydrophobicContact CE2-CG1 3.66Å; F1036-I1040 HydrophobicContact CG-CD1 4.2Å; F1036-I1040 HydrophobicContact CG-CG1 4.49Å; F1036-I1040 HydrophobicContact CZ-CD1 3.27Å; F1036-I1040 HydrophobicContact CZ-CG1 3.8Å; F1036-I1040 WeakPolarHBondContact O-CB 3.37Å; F1036-I1040 WeakPolarHBondContact O-CG1 3.47Å; F1036-I1040 PolarHBondContact O-N 3.47Å
1037	E	88.9	Confident	88.1	Confident	50 Å²	50	65.7 Å²	65.7	23%	0.234	31%	0.314	C	S	.	.	H	α-helix	trans	-57	-50	174.9	-173.5	173.5	-161.9	0	0	112.3	R542 P818 D822 S1035 I1040 Q1041	R542-E1037 VanDerWaalsContact CD-OE1 3.29Å; R542-E1037 WeakPolarHBondContact CD-OE1 3.42Å; R542-E1037 IonicContact NE-OE1 2.74Å; R542-E1037 PolarHBondContact NE-OE1 3.34Å; P818-E1037 HydrophobicContact CB-CB 3.87Å; P818-E1037 HydrophobicContact CB-CG 4.22Å; D822-E1037 PolarHBondContact OD2-N 2.85Å; S1035-E1037 PolarHBondContact O-N 3.42Å; E1037-I1040 PolarHBondContact O-N 3.35Å; E1037-Q1041 PolarHBondContact O-N 3.19Å
1038	V	90.5	Very high	87.4	Confident	57 Å²	57	72.4 Å²	72.4	35%	0.345	34%	0.34	S	S	.	.	H	α-helix	trans	-70.6	-36.1	179.7	175	0	0	0	0	111	I1034 S1035 F1036 Q1041 Q1042	I1034-V1038 HydrophobicContact CG2-CB 3.58Å; I1034-V1038 HydrophobicContact CG2-CG1 3.48Å; I1034-V1038 VanDerWaalsContact CG2-CG1 3.48Å; S1035-V1038 PolarHBondContact O-N 2.91Å; S1035-V1038 WeakPolarHBondContact OG-CG2 3.33Å; S1035-V1038 PolarHBondContact OG-N 3.18Å; F1036-V1038 PolarHBondContact O-N 2.97Å; V1038-Q1041 PolarHBondContact O-N 3.08Å; V1038-Q1042 WeakPolarHBondContact O-CG 2.93Å; V1038-Q1042 PolarHBondContact O-N 3.15Å
1039	W	92.7	Very high	87.3	Confident	25 Å²	25	68.7 Å²	68.7	10%	0.095	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-41.5	175.6	179.2	91	0	0	0	112.2	A1022 Y1023 D1026 S1035 F1036 Q1041 Q1042 A1043	A1022-W1039 HydrophobicContact CB-CH2 4.08Å; Y1023-W1039 HydrophobicContact CD2-CB 3.49Å; Y1023-W1039 VanDerWaalsContact CD2-CB 3.49Å; Y1023-W1039 AromaticContact CD2-CD1 3.92Å; Y1023-W1039 AromaticContact CD2-CD2 3.74Å; Y1023-W1039 HydrophobicContact CD2-CD2 3.74Å; Y1023-W1039 HydrophobicContact CD2-CE3 4.19Å; Y1023-W1039 AromaticContact CD2-CG 3.43Å; Y1023-W1039 HydrophobicContact CD2-CG 3.43Å; Y1023-W1039 VanDerWaalsContact CD2-CG 3.43Å; Y1023-W1039 HydrophobicContact CE2-CB 3.8Å; Y1023-W1039 HydrophobicContact CE2-CG 4.17Å; Y1023-W1039 HydrophobicContact CG-CD2 4.26Å; Y1023-W1039 HydrophobicContact CG-CE3 4.37Å; Y1023-W1039 HydrophobicContact CG-CG 4.38Å; D1026-W1039 PolarHBondContact OD2-NE1 3.22Å; S1035-W1039 WeakPolarHBondContact O-CB 3.44Å; S1035-W1039 PolarHBondContact O-N 3.37Å; F1036-W1039 HydrophobicContact CD2-CE3 4.03Å; F1036-W1039 AromaticContact CE2-CE3 3.97Å; F1036-W1039 HydrophobicContact CE2-CE3 3.97Å; F1036-W1039 HydrophobicContact CE2-CZ3 4.04Å; F1036-W1039 PolarHBondContact O-N 3.33Å; W1039-Q1041 VanDerWaalsContact C-N 3.28Å; W1039-Q1041 PolarHBondContact O-N 3.19Å; W1039-Q1042 PolarHBondContact O-N 3Å; W1039-A1043 HydrophobicContact CD2-CB 4.27Å; W1039-A1043 HydrophobicContact CE3-CB 4.2Å; W1039-A1043 HydrophobicContact CH2-CB 4.18Å; W1039-A1043 HydrophobicContact CZ2-CB 4.24Å; W1039-A1043 HydrophobicContact CZ3-CB 4.16Å; W1039-A1043 WeakPolarHBondContact O-CB 3.44Å; W1039-A1043 PolarHBondContact O-N 2.97Å
1040	I	90.8	Very high	87.3	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-56	-48.6	174.4	-80.6	171.5	0	0	0	109.1	P541 P818 F1016 F1036 E1037 Q1042 A1043 T1044 F1049 M1050	P541-I1040 HydrophobicContact CG-CG2 3.59Å; P818-I1040 HydrophobicContact CB-CD1 4.3Å; P818-I1040 HydrophobicContact CG-CD1 4.05Å; F1016-I1040 HydrophobicContact CD1-CD1 4.48Å; F1016-I1040 HydrophobicContact CE1-CD1 4.24Å; F1036-I1040 HydrophobicContact CD1-CD1 3.79Å; F1036-I1040 HydrophobicContact CD2-CD1 4.12Å; F1036-I1040 HydrophobicContact CD2-CG1 4.04Å; F1036-I1040 HydrophobicContact CE1-CD1 3.3Å; F1036-I1040 HydrophobicContact CE1-CG1 4.23Å; F1036-I1040 HydrophobicContact CE2-CD1 3.67Å; F1036-I1040 HydrophobicContact CE2-CG1 3.66Å; F1036-I1040 HydrophobicContact CG-CD1 4.2Å; F1036-I1040 HydrophobicContact CG-CG1 4.49Å; F1036-I1040 HydrophobicContact CZ-CD1 3.27Å; F1036-I1040 HydrophobicContact CZ-CG1 3.8Å; F1036-I1040 WeakPolarHBondContact O-CB 3.37Å; F1036-I1040 WeakPolarHBondContact O-CG1 3.47Å; F1036-I1040 PolarHBondContact O-N 3.47Å; E1037-I1040 PolarHBondContact O-N 3.35Å; I1040-Q1042 VanDerWaalsContact C-N 3.34Å; I1040-Q1042 PolarHBondContact O-N 2.82Å; I1040-A1043 CarbonylContact O-C 3.21Å; I1040-A1043 PolarHBondContact O-N 3.21Å; I1040-A1043 VanDerWaalsContact O-N 3.16Å; I1040-T1044 HydrophobicContact CG2-CG2 4.27Å; I1040-T1044 WeakPolarHBondContact O-CG2 3.44Å; I1040-T1044 PolarHBondContact O-N 3.15Å; I1040-T1044 PolarHBondContact O-OG1 2.71Å; I1040-F1049 HydrophobicContact CG2-CZ 4.2Å; I1040-M1050 HydrophobicContact CG2-CE 4.38Å
1041	Q	87.4	Confident	87.1	Confident	55 Å²	55	62.5 Å²	62.5	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-43.9	179.6	-171.6	-177.3	10	0	0	111.8	Y447 E1037 V1038 W1039 T1044 H1045	Y447-Q1041 PolarHBondContact OH-NE2 2.92Å; E1037-Q1041 PolarHBondContact O-N 3.19Å; V1038-Q1041 PolarHBondContact O-N 3.08Å; W1039-Q1041 VanDerWaalsContact C-N 3.28Å; W1039-Q1041 PolarHBondContact O-N 3.19Å; Q1041-T1044 WeakPolarHBondContact CA-OG1 3.5Å; Q1041-T1044 PolarHBondContact O-N 3.05Å; Q1041-T1044 PolarHBondContact O-OG1 3.38Å; Q1041-H1045 PolarHBondContact O-CD2 3.27Å; Q1041-H1045 PolarHBondContact O-N 2.98Å
1042	Q	89.3	Confident	87.1	Confident	85 Å²	85	53.7 Å²	53.7	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-65.5	-40.3	175.6	-69.8	175.1	-1.3	0	0	112.1	V1038 W1039 I1040 H1045 Q1046	V1038-Q1042 WeakPolarHBondContact O-CG 2.93Å; V1038-Q1042 PolarHBondContact O-N 3.15Å; W1039-Q1042 PolarHBondContact O-N 3Å; I1040-Q1042 VanDerWaalsContact C-N 3.34Å; I1040-Q1042 PolarHBondContact O-N 2.82Å; Q1042-H1045 PolarHBondContact O-N 3.32Å; Q1042-Q1046 WeakPolarHBondContact O-CG 3.26Å; Q1042-Q1046 PolarHBondContact O-N 2.76Å
1043	A	86.5	Confident	87	Confident	9 Å²	9	51.9 Å²	51.9	7%	0.074	25%	0.25	C	C	.	.	H	α-helix	trans	-68.4	-34.8	179.2	0	0	0	0	0	111.4	W1039 I1040 H1045 Q1046 V1047 F1049	W1039-A1043 HydrophobicContact CD2-CB 4.27Å; W1039-A1043 HydrophobicContact CE3-CB 4.2Å; W1039-A1043 HydrophobicContact CH2-CB 4.18Å; W1039-A1043 HydrophobicContact CZ2-CB 4.24Å; W1039-A1043 HydrophobicContact CZ3-CB 4.16Å; W1039-A1043 WeakPolarHBondContact O-CB 3.44Å; W1039-A1043 PolarHBondContact O-N 2.97Å; I1040-A1043 CarbonylContact O-C 3.21Å; I1040-A1043 PolarHBondContact O-N 3.21Å; I1040-A1043 VanDerWaalsContact O-N 3.16Å; A1043-H1045 VanDerWaalsContact C-N 3.3Å; A1043-H1045 PolarHBondContact O-N 3.44Å; A1043-Q1046 PolarHBondContact O-N 2.67Å; A1043-Q1046 VanDerWaalsContact O-N 3.13Å; A1043-V1047 WeakPolarHBondContact O-CA 3.43Å; A1043-V1047 WeakPolarHBondContact O-CB 3.22Å; A1043-V1047 PolarHBondContact O-N 3.33Å; A1043-F1049 HydrophobicContact CB-CE1 3.82Å; A1043-F1049 HydrophobicContact CB-CZ 4.39Å
1044	T	85	Confident	87	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-34.5	176	44.1	0	0	0	0	112.3	H539 P541 I1040 Q1041 Q1046 F1049 M1050	H539-T1044 PolarHBondContact O-OG1 3.05Å; P541-T1044 HydrophobicContact CG-CG2 4.23Å; I1040-T1044 HydrophobicContact CG2-CG2 4.27Å; I1040-T1044 WeakPolarHBondContact O-CG2 3.44Å; I1040-T1044 PolarHBondContact O-N 3.15Å; I1040-T1044 PolarHBondContact O-OG1 2.71Å; Q1041-T1044 WeakPolarHBondContact CA-OG1 3.5Å; Q1041-T1044 PolarHBondContact O-N 3.05Å; Q1041-T1044 PolarHBondContact O-OG1 3.38Å; T1044-Q1046 VanDerWaalsContact C-N 3.3Å; T1044-Q1046 PolarHBondContact O-N 2.79Å; T1044-F1049 HydrophobicContact CG2-CE1 3.73Å; T1044-F1049 HydrophobicContact CG2-CE2 3.8Å; T1044-F1049 HydrophobicContact CG2-CZ 3.29Å; T1044-M1050 HydrophobicContact CG2-CE 3.61Å; T1044-M1050 HydrophobicContact CG2-CG 3.36Å; T1044-M1050 HydrophobicContact CG2-SD 4.26Å
1045	H	80.4	Confident	86.8	Confident	92 Å²	92	46.6 Å²	46.6	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-69.6	-25.7	173.3	-74.9	-73.9	0	0	0	113.3	H539 Q1041 Q1042 A1043	H539-H1045 VanDerWaalsContact CB-CE1 3.44Å; H539-H1045 WeakPolarHBondContact CB-CE1 3.26Å; H539-H1045 AromaticContact CD2-CE1 3.89Å; H539-H1045 AromaticContact CD2-CG 3.81Å; H539-H1045 AromaticContact CD2-ND1 3.32Å; H539-H1045 PolarHBondContact CD2-ND1 3.31Å; H539-H1045 VanDerWaalsContact CD2-ND1 3.32Å; H539-H1045 AromaticContact CE1-ND1 3.88Å; H539-H1045 AromaticContact CG-CE1 3.5Å; H539-H1045 AromaticContact CG-ND1 3.39Å; H539-H1045 AromaticContact ND1-CE1 3.9Å; H539-H1045 AromaticContact ND1-ND1 3.74Å; H539-H1045 AromaticContact NE2-ND1 3.65Å; Q1041-H1045 PolarHBondContact O-CD2 3.27Å; Q1041-H1045 PolarHBondContact O-N 2.98Å; Q1042-H1045 PolarHBondContact O-N 3.32Å; A1043-H1045 VanDerWaalsContact C-N 3.3Å; A1043-H1045 PolarHBondContact O-N 3.44Å
1046	Q	77.6	Confident	86.7	Confident	156 Å²	156	44.8 Å²	44.8	73%	0.729	22%	0.218	S	C	*	.	H	α-helix	trans	-95.9	-32.7	-178.1	-67.2	179.1	-0.9	0	0	112.9	Q1042 A1043 T1044	Q1042-Q1046 WeakPolarHBondContact O-CG 3.26Å; Q1042-Q1046 PolarHBondContact O-N 2.76Å; A1043-Q1046 PolarHBondContact O-N 2.67Å; A1043-Q1046 VanDerWaalsContact O-N 3.13Å; T1044-Q1046 VanDerWaalsContact C-N 3.3Å; T1044-Q1046 PolarHBondContact O-N 2.79Å
1047	V	75.3	Confident	86.4	Confident	43 Å²	43	45 Å²	45	26%	0.261	22%	0.22	S	C	.	.	S	Bend	trans	-135.4	117.2	-170.2	-178	0	0	0	0	108	M951 A1043 F1049	M951-V1047 HydrophobicContact CB-CG1 4.04Å; M951-V1047 HydrophobicContact CE-CG1 3.71Å; A1043-V1047 WeakPolarHBondContact O-CA 3.43Å; A1043-V1047 WeakPolarHBondContact O-CB 3.22Å; A1043-V1047 PolarHBondContact O-N 3.33Å; V1047-F1049 HydrophobicContact CB-CD1 4.14Å; V1047-F1049 HydrophobicContact CG1-CD1 4.1Å; V1047-F1049 WeakPolarHBondContact O-CD1 3.48Å; V1047-F1049 PolarHBondContact O-N 3.12Å
1048	Y	79.7	Confident	86.3	Confident	141 Å²	141	42.6 Å²	42.6	55%	0.553	21%	0.209	S	C	*	.			trans	-73.4	42.8	-177.1	-60.3	-80.5	0	0	0	114.2	M951 M1050 D1051	M951-Y1048 VanDerWaalsContact CE-C 3.48Å; Y1048-M1050 PolarHBondContact O-N 3.4Å; Y1048-D1051 WeakPolarHBondContact CB-OD2 2.91Å; Y1048-D1051 PolarHBondContact O-N 3.21Å
1049	F	84.9	Confident	86	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-16.7	178.6	64.9	-95.3	0	0	0	112.7	L948 M951 F1015 L1019 I1040 A1043 T1044 V1047 D1051 L1052 L1053	L948-F1049 HydrophobicContact CD1-CB 4.31Å; M951-F1049 HydrophobicContact CE-CB 4.27Å; F1015-F1049 HydrophobicContact CE1-CD2 4.24Å; F1015-F1049 HydrophobicContact CZ-CB 4.35Å; F1015-F1049 HydrophobicContact CZ-CD2 4.3Å; L1019-F1049 HydrophobicContact CD1-CD2 3.84Å; L1019-F1049 HydrophobicContact CD1-CE2 3.62Å; L1019-F1049 HydrophobicContact CD1-CZ 4.31Å; L1019-F1049 HydrophobicContact CD2-CD2 4.41Å; L1019-F1049 HydrophobicContact CD2-CE2 4.45Å; L1019-F1049 HydrophobicContact CD2-CG 4.45Å; I1040-F1049 HydrophobicContact CG2-CZ 4.2Å; A1043-F1049 HydrophobicContact CB-CE1 3.82Å; A1043-F1049 HydrophobicContact CB-CZ 4.39Å; T1044-F1049 HydrophobicContact CG2-CE1 3.73Å; T1044-F1049 HydrophobicContact CG2-CE2 3.8Å; T1044-F1049 HydrophobicContact CG2-CZ 3.29Å; V1047-F1049 HydrophobicContact CB-CD1 4.14Å; V1047-F1049 HydrophobicContact CG1-CD1 4.1Å; V1047-F1049 WeakPolarHBondContact O-CD1 3.48Å; V1047-F1049 PolarHBondContact O-N 3.12Å; F1049-D1051 PolarHBondContact O-N 3.1Å; F1049-L1052 WeakPolarHBondContact O-CB 3.5Å; F1049-L1052 PolarHBondContact O-N 2.85Å; F1049-L1052 VanDerWaalsContact O-N 3.07Å; F1049-L1053 PolarHBondContact O-N 3.04Å
1050	M	85.8	Confident	85.5	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.034	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-29.8	172.1	-73.9	-74.3	152.1	0	0	112.4	K538 P541 I1040 T1044 Y1048 L1052 L1053 D1054 I1070	K538-M1050 HydrophobicContact CB-CB 4.1Å; K538-M1050 HydrophobicContact CG-CB 4.47Å; K538-M1050 VanDerWaalsContact O-CG 3.31Å; K538-M1050 WeakPolarHBondContact O-CG 3.39Å; P541-M1050 HydrophobicContact CB-CE 3.33Å; P541-M1050 HydrophobicContact CB-SD 3.81Å; P541-M1050 HydrophobicContact CG-CE 3.72Å; I1040-M1050 HydrophobicContact CG2-CE 4.38Å; T1044-M1050 HydrophobicContact CG2-CE 3.61Å; T1044-M1050 HydrophobicContact CG2-CG 3.36Å; T1044-M1050 HydrophobicContact CG2-SD 4.26Å; Y1048-M1050 PolarHBondContact O-N 3.4Å; M1050-L1052 PolarHBondContact O-N 3.04Å; M1050-L1053 HydrophobicContact CE-CD1 3.71Å; M1050-L1053 CarbonylContact O-C 3.56Å; M1050-L1053 WeakPolarHBondContact O-CA 3.34Å; M1050-L1053 WeakPolarHBondContact O-CB 3.24Å; M1050-L1053 PolarHBondContact O-N 2.95Å; M1050-L1053 HydrophobicContact SD-CD1 3.77Å; M1050-D1054 PolarHBondContact O-N 3.11Å; M1050-I1070 HydrophobicContact SD-CD1 4.37Å
1051	D	86.7	Confident	85.1	Confident	72 Å²	72	46.9 Å²	46.9	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-67.2	-26.4	172.8	-67.6	-35	0	0	0	112.5	K538 Y1048 F1049 N1055	K538-D1051 WeakPolarHBondContact CD-OD1 3.14Å; K538-D1051 IonicContact NZ-OD1 3.14Å; K538-D1051 PolarHBondContact NZ-OD1 3.43Å; Y1048-D1051 WeakPolarHBondContact CB-OD2 2.91Å; Y1048-D1051 PolarHBondContact O-N 3.21Å; F1049-D1051 PolarHBondContact O-N 3.1Å; D1051-N1055 PolarHBondContact O-N 3.35Å
1052	L	89.2	Confident	84.8	Confident	22 Å²	22	46.3 Å²	46.3	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-71.9	-34.5	170.5	-61.1	-177.8	0	0	0	111.7	I944 K947 L948 M951 F1015 F1049 M1050 N1055 F1056	I944-L1052 HydrophobicContact CG2-CB 4.39Å; K947-L1052 HydrophobicContact CB-CD1 3.93Å; K947-L1052 HydrophobicContact CB-CD2 3.87Å; K947-L1052 HydrophobicContact CD-CD2 3.7Å; K947-L1052 HydrophobicContact CG-CD2 4.44Å; L948-L1052 HydrophobicContact CB-CD1 4.17Å; M951-L1052 HydrophobicContact SD-CD1 3.59Å; M951-L1052 VanDerWaalsContact SD-CD1 3.59Å; M951-L1052 HydrophobicContact SD-CG 4.13Å; F1015-L1052 HydrophobicContact CE2-CB 4.29Å; F1015-L1052 HydrophobicContact CE2-CD1 4.3Å; F1015-L1052 HydrophobicContact CZ-CB 4.47Å; F1049-L1052 WeakPolarHBondContact O-CB 3.5Å; F1049-L1052 PolarHBondContact O-N 2.85Å; F1049-L1052 VanDerWaalsContact O-N 3.07Å; M1050-L1052 PolarHBondContact O-N 3.04Å; L1052-N1055 CarbonylContact O-C 3.57Å; L1052-F1056 WeakPolarHBondContact O-CA 3.31Å; L1052-F1056 PolarHBondContact O-N 3.45Å
1053	L	89.2	Confident	84.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.9	-29.9	174.6	-69.5	174.8	0	0	0	111.8	F1015 F1016 F1049 M1050 N1055 F1056 I1070 R1073	F1015-L1053 HydrophobicContact CD1-CD2 3.88Å; F1015-L1053 HydrophobicContact CD1-CG 4.47Å; F1015-L1053 HydrophobicContact CE1-CD1 3.96Å; F1015-L1053 HydrophobicContact CE1-CD2 3.68Å; F1015-L1053 HydrophobicContact CE1-CG 3.78Å; F1015-L1053 HydrophobicContact CG-CD2 4.43Å; F1015-L1053 HydrophobicContact CZ-CD2 4.09Å; F1015-L1053 HydrophobicContact CZ-CG 4.01Å; F1016-L1053 HydrophobicContact CZ-CD1 4.26Å; F1049-L1053 PolarHBondContact O-N 3.04Å; M1050-L1053 HydrophobicContact CE-CD1 3.71Å; M1050-L1053 CarbonylContact O-C 3.56Å; M1050-L1053 WeakPolarHBondContact O-CA 3.34Å; M1050-L1053 WeakPolarHBondContact O-CB 3.24Å; M1050-L1053 PolarHBondContact O-N 2.95Å; M1050-L1053 HydrophobicContact SD-CD1 3.77Å; L1053-N1055 VanDerWaalsContact C-N 3.28Å; L1053-N1055 PolarHBondContact O-N 3.22Å; L1053-F1056 HydrophobicContact CD2-CD2 3.87Å; L1053-F1056 HydrophobicContact CD2-CE2 4Å; L1053-F1056 WeakPolarHBondContact O-CB 3.32Å; L1053-I1070 HydrophobicContact CB-CD1 4.14Å; L1053-R1073 VanDerWaalsContact O-CZ 3.23Å; L1053-R1073 PolarHBondContact O-NH1 3.44Å; L1053-R1073 PolarHBondContact O-NH2 3.27Å
1054	D	88.4	Confident	83.7	Confident	39 Å²	39	55 Å²	55	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-81.3	-8.5	178	-166.2	37.1	0	0	0	113.7	K538 M1050 R1068 R1069 I1070	K538-D1054 WeakPolarHBondContact CE-OD2 3.25Å; K538-D1054 IonicContact NZ-OD2 2.75Å; K538-D1054 PolarHBondContact NZ-OD2 2.7Å; M1050-D1054 PolarHBondContact O-N 3.11Å; D1054-R1068 CarbonylContact C-O 3.38Å; D1054-R1068 CarbonylContact O-C 3.56Å; D1054-R1069 WeakPolarHBondContact O-CA 3.39Å; D1054-I1070 HydrophobicContact CB-CG2 4.33Å; D1054-I1070 PolarHBondContact OD1-N 3.08Å
1055	N	88.2	Confident	83.4	Confident	82 Å²	82	57.8 Å²	57.8	44%	0.439	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	49.1	169.2	-170.2	10.4	0	0	0	110.5	D1051 L1052 L1053 R1068	D1051-N1055 PolarHBondContact O-N 3.35Å; L1052-N1055 CarbonylContact O-C 3.57Å; L1053-N1055 VanDerWaalsContact C-N 3.28Å; L1053-N1055 PolarHBondContact O-N 3.22Å; N1055-R1068 CarbonylContact C-O 3.53Å; N1055-R1068 WeakPolarHBondContact CA-O 3.46Å; N1055-R1068 PolarHBondContact N-O 3.42Å; N1055-R1068 WeakPolarHBondContact OD1-CD 3.3Å; N1055-R1068 PolarHBondContact OD1-NH1 3.39Å
1056	F	89.8	Confident	83.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.			trans	-87.7	134.4	-171.3	-159.4	-99.1	0	0	0	112.6	I944 L1008 L1011 E1012 F1015 L1052 L1053 R1068	I944-F1056 HydrophobicContact CD1-CB 4.47Å; I944-F1056 HydrophobicContact CD1-CD2 3.91Å; I944-F1056 HydrophobicContact CD1-CE2 4.43Å; I944-F1056 HydrophobicContact CD1-CG 4.15Å; I944-F1056 HydrophobicContact CG2-CD2 3.87Å; I944-F1056 HydrophobicContact CG2-CE2 3.76Å; L1008-F1056 HydrophobicContact CD2-CD1 4.3Å; L1011-F1056 HydrophobicContact CB-CE1 3.85Å; L1011-F1056 HydrophobicContact CB-CZ 3.97Å; L1011-F1056 HydrophobicContact CD2-CD1 4.4Å; L1011-F1056 HydrophobicContact CD2-CE1 3.63Å; L1011-F1056 HydrophobicContact CD2-CZ 3.75Å; L1011-F1056 HydrophobicContact CG-CE1 3.7Å; L1011-F1056 HydrophobicContact CG-CE2 4.46Å; L1011-F1056 HydrophobicContact CG-CZ 3.49Å; L1011-F1056 VanDerWaalsContact CG-CZ 3.49Å; E1012-F1056 HydrophobicContact CB-CE1 4.28Å; E1012-F1056 HydrophobicContact CB-CZ 4.24Å; E1012-F1056 HydrophobicContact CG-CD1 3.85Å; E1012-F1056 HydrophobicContact CG-CE1 3.28Å; E1012-F1056 HydrophobicContact CG-CE2 4.36Å; E1012-F1056 HydrophobicContact CG-CZ 3.55Å; F1015-F1056 HydrophobicContact CB-CE2 4.31Å; F1015-F1056 HydrophobicContact CB-CZ 4.4Å; F1015-F1056 AromaticContact CD2-CE2 3.96Å; F1015-F1056 HydrophobicContact CD2-CE2 3.96Å; F1015-F1056 HydrophobicContact CG-CE2 4.21Å; L1052-F1056 WeakPolarHBondContact O-CA 3.31Å; L1052-F1056 PolarHBondContact O-N 3.45Å; L1053-F1056 HydrophobicContact CD2-CD2 3.87Å; L1053-F1056 HydrophobicContact CD2-CE2 4Å; L1053-F1056 WeakPolarHBondContact O-CB 3.32Å; F1056-R1068 PolarHBondContact N-O 2.88Å; F1056-R1068 VanDerWaalsContact O-CA 3.3Å; F1056-R1068 WeakPolarHBondContact O-CA 3.09Å
1057	G	87.5	Confident	83.7	Confident	3 Å²	3	51.8 Å²	51.8	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	164.2	-154	-178	0	0	0	0	0	112.6	I944 P1059	I944-G1057 WeakPolarHBondContact CD1-O 3.34Å; G1057-P1059 VanDerWaalsContact C-CD 3.46Å; G1057-P1059 VanDerWaalsContact O-CD 3.27Å; G1057-P1059 WeakPolarHBondContact O-CD 3.24Å
1058	F	87.6	Confident	84.2	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.253	C	S	.	.			trans	-115.8	78.9	174.7	-54.9	-79.5	0	0	0	110.6	F942 I984 Y988 S1007 L1008 L1011 E1060 F1061 E1062	F942-F1058 AromaticContact CD1-CD1 3.99Å; F942-F1058 HydrophobicContact CD1-CD1 3.99Å; F942-F1058 AromaticContact CD1-CE1 3.88Å; F942-F1058 HydrophobicContact CD1-CE1 3.88Å; F942-F1058 HydrophobicContact CE1-CD1 4.25Å; F942-F1058 AromaticContact CE1-CE1 3.83Å; F942-F1058 HydrophobicContact CE1-CE1 3.83Å; I984-F1058 HydrophobicContact CG2-CE1 3.72Å; I984-F1058 HydrophobicContact CG2-CZ 3.7Å; Y988-F1058 AromaticContact CD2-CD2 3.57Å; Y988-F1058 HydrophobicContact CD2-CD2 3.57Å; Y988-F1058 AromaticContact CD2-CE2 3.65Å; Y988-F1058 HydrophobicContact CD2-CE2 3.65Å; Y988-F1058 HydrophobicContact CD2-CG 4.24Å; Y988-F1058 HydrophobicContact CD2-CZ 4.37Å; Y988-F1058 AromaticContact CE2-CD2 3.81Å; Y988-F1058 HydrophobicContact CE2-CD2 3.81Å; Y988-F1058 HydrophobicContact CE2-CE2 4.35Å; Y988-F1058 HydrophobicContact CE2-CG 4.32Å; Y988-F1058 HydrophobicContact CG-CD2 4.44Å; Y988-F1058 HydrophobicContact CG-CE2 4.34Å; S1007-F1058 WeakPolarHBondContact OG-CZ 3.37Å; L1008-F1058 HydrophobicContact CD2-CD2 4.16Å; L1008-F1058 HydrophobicContact CD2-CE2 3.75Å; L1008-F1058 HydrophobicContact CD2-CZ 4.46Å; L1008-F1058 HydrophobicContact CG-CE2 4.48Å; L1011-F1058 HydrophobicContact CD2-CD1 4.31Å; L1011-F1058 HydrophobicContact CD2-CE1 3.77Å; L1011-F1058 HydrophobicContact CD2-CZ 4.03Å; F1058-E1060 PolarHBondContact O-N 3.2Å; F1058-F1061 HydrophobicContact CB-CB 4.35Å; F1058-F1061 HydrophobicContact CB-CD2 3.54Å; F1058-F1061 HydrophobicContact CB-CE2 4.32Å; F1058-F1061 HydrophobicContact CB-CG 4.34Å; F1058-F1061 HydrophobicContact CD1-CD2 4.22Å; F1058-F1061 HydrophobicContact CD1-CE2 4.23Å; F1058-F1061 HydrophobicContact CG-CD2 4.02Å; F1058-F1061 HydrophobicContact CG-CE2 4.48Å; F1058-F1061 PolarHBondContact O-N 2.93Å; F1058-E1062 PolarHBondContact O-N 2.86Å
1059	P	83.7	Confident	84.6	Confident	48 Å²	48	47 Å²	47	31%	0.312	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.4	178.1	-22.5	32.8	0	0	0	114	I944 G1057 F1061	I944-P1059 HydrophobicContact CG1-CG 4.48Å; G1057-P1059 VanDerWaalsContact C-CD 3.46Å; G1057-P1059 VanDerWaalsContact O-CD 3.27Å; G1057-P1059 WeakPolarHBondContact O-CD 3.24Å; P1059-F1061 VanDerWaalsContact C-N 3.32Å
1060	E	82.6	Confident	84.7	Confident	56 Å²	56	47 Å²	47	26%	0.262	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.6	175.2	-56.2	88.6	160.6	0	0	114.1	I943 F1058	I943-E1060 WeakPolarHBondContact CA-OE1 3.3Å; I943-E1060 VanDerWaalsContact CB-OE1 3.22Å; I943-E1060 WeakPolarHBondContact CB-OE1 3.47Å; I943-E1060 HydrophobicContact CD1-CG 3.47Å; I943-E1060 VanDerWaalsContact CD1-CG 3.47Å; I943-E1060 HydrophobicContact CG1-CG 3.84Å; I943-E1060 WeakPolarHBondContact CG1-OE1 3.28Å; I943-E1060 PolarHBondContact N-OE1 3.09Å; F1058-E1060 PolarHBondContact O-N 3.2Å
1061	F	82.5	Confident	84.9	Confident	68 Å²	68	47 Å²	47	30%	0.298	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-20.8	-167.1	-48.7	-54.9	0	0	0	113.8	Y937 Y985 Y988 F1058 P1059	Y937-F1061 HydrophobicContact CD1-CZ 4.18Å; Y937-F1061 HydrophobicContact CD2-CZ 4.15Å; Y937-F1061 HydrophobicContact CE1-CE1 4.34Å; Y937-F1061 HydrophobicContact CE1-CE2 4.16Å; Y937-F1061 AromaticContact CE1-CZ 3.52Å; Y937-F1061 HydrophobicContact CE1-CZ 3.52Å; Y937-F1061 AromaticContact CE2-CE1 3.9Å; Y937-F1061 HydrophobicContact CE2-CE1 3.9Å; Y937-F1061 AromaticContact CE2-CZ 3.49Å; Y937-F1061 HydrophobicContact CE2-CZ 3.49Å; Y937-F1061 VanDerWaalsContact CE2-CZ 3.49Å; Y937-F1061 HydrophobicContact CG-CZ 4.47Å; Y937-F1061 AromaticContact CZ-CE1 3.58Å; Y937-F1061 AromaticContact CZ-CZ 3.13Å; Y937-F1061 WeakPolarHBondContact OH-CE1 3.33Å; Y937-F1061 VanDerWaalsContact OH-CZ 3.22Å; Y937-F1061 WeakPolarHBondContact OH-CZ 3.4Å; Y985-F1061 HydrophobicContact CD2-CZ 4.48Å; Y985-F1061 HydrophobicContact CE2-CZ 4.1Å; Y988-F1061 HydrophobicContact CD1-CD2 4.1Å; Y988-F1061 HydrophobicContact CD1-CE2 4.24Å; Y988-F1061 HydrophobicContact CE1-CB 4.05Å; Y988-F1061 AromaticContact CE1-CD2 3.55Å; Y988-F1061 HydrophobicContact CE1-CD2 3.55Å; Y988-F1061 HydrophobicContact CE1-CE2 4.08Å; Y988-F1061 AromaticContact CE1-CG 3.9Å; Y988-F1061 HydrophobicContact CE1-CG 3.9Å; Y988-F1061 HydrophobicContact CE2-CB 4.5Å; Y988-F1061 HydrophobicContact CE2-CD2 4.3Å; Y988-F1061 AromaticContact CZ-CD2 3.71Å; Y988-F1061 AromaticContact CZ-CG 3.96Å; Y988-F1061 WeakPolarHBondContact OH-CB 3.29Å; F1058-F1061 HydrophobicContact CB-CB 4.35Å; F1058-F1061 HydrophobicContact CB-CD2 3.54Å; F1058-F1061 HydrophobicContact CB-CE2 4.32Å; F1058-F1061 HydrophobicContact CB-CG 4.34Å; F1058-F1061 HydrophobicContact CD1-CD2 4.22Å; F1058-F1061 HydrophobicContact CD1-CE2 4.23Å; F1058-F1061 HydrophobicContact CG-CD2 4.02Å; F1058-F1061 HydrophobicContact CG-CE2 4.48Å; F1058-F1061 PolarHBondContact O-N 2.93Å; P1059-F1061 VanDerWaalsContact C-N 3.32Å
1062	E	81.5	Confident	84.8	Confident	44 Å²	44	45 Å²	45	21%	0.206	23%	0.225	C	C	.	.			trans	-132.7	153.1	-169.9	-59.7	-174.7	153	0	0	112.3	Y988 R1004 F1058 R1068	Y988-E1062 HydrophobicContact CE2-CG 4.14Å; Y988-E1062 WeakPolarHBondContact CE2-OE1 3.36Å; R1004-E1062 IonicContact CZ-OE1 3.47Å; R1004-E1062 IonicContact CZ-OE2 3.73Å; R1004-E1062 IonicContact NE-OE1 3.6Å; R1004-E1062 PolarHBondContact NE-OE1 3.46Å; R1004-E1062 VanDerWaalsContact NE-OE1 3.13Å; R1004-E1062 IonicContact NE-OE2 2.81Å; R1004-E1062 PolarHBondContact NE-OE2 3.2Å; R1004-E1062 VanDerWaalsContact NH2-CD 3.33Å; R1004-E1062 IonicContact NH2-OE1 3.66Å; R1004-E1062 IonicContact NH2-OE2 3.78Å; R1004-E1062 PolarHBondContact NH2-OE2 2.8Å; F1058-E1062 PolarHBondContact O-N 2.86Å; E1062-R1068 PolarHBondContact O-NH2 3.04Å
1063	E	77.2	Confident	84.7	Confident	168 Å²	168	45.1 Å²	45.1	79%	0.785	22%	0.224	S	C	*	.			trans	-75.3	164.3	167.3	-66.8	-172.5	168.2	0	0	111.6	D1065 R1068	E1063-D1065 PolarHBondContact O-N 2.97Å; E1063-R1068 PolarHBondContact O-NH2 3.14Å; E1063-R1068 VanDerWaalsContact O-NH2 3.1Å
1064	P	74.8	Confident	84.6	Confident	109 Å²	109	45.5 Å²	45.5	71%	0.708	23%	0.226	S	C	*	.			trans	-57.5	130.4	173.4	-23.2	34.8	0	0	0	112.3
1065	D	79.7	Confident	84.4	Confident	61 Å²	61	44.8 Å²	44.8	33%	0.326	22%	0.22	S	C	.	.			trans	-138.3	166.7	-179.7	-173.7	19.2	0	0	0	110.2	R1004 E1063 L1067 R1068	R1004-D1065 IonicContact CZ-OD2 3.85Å; R1004-D1065 VanDerWaalsContact CZ-OD2 3.31Å; R1004-D1065 IonicContact NH1-OD2 3.95Å; R1004-D1065 PolarHBondContact NH1-OD2 3.41Å; R1004-D1065 IonicContact NH2-OD2 3.41Å; R1004-D1065 PolarHBondContact NH2-OD2 3.25Å; E1063-D1065 PolarHBondContact O-N 2.97Å; D1065-L1067 PolarHBondContact O-N 3.13Å; D1065-R1068 VanDerWaalsContact O-CB 3.3Å; D1065-R1068 WeakPolarHBondContact O-CB 3.49Å; D1065-R1068 WeakPolarHBondContact O-CG 3.09Å; D1065-R1068 PolarHBondContact O-N 3.41Å
1066	K	80.5	Confident	83.9	Confident	106 Å²	106	41.1 Å²	41.1	46%	0.461	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-52.8	-40.7	-179.6	-46.5	-167.6	169.8	-165	0	112.3	H199 R1068 R1069 E1072	H199-K1066 VanDerWaalsContact CD2-CE 3.46Å; H199-K1066 WeakPolarHBondContact CD2-CE 3.18Å; H199-K1066 WeakPolarHBondContact NE2-CD 3.44Å; H199-K1066 WeakPolarHBondContact NE2-CE 3Å; H199-K1066 WeakPolarHBondContact NE2-CG 3.4Å; K1066-R1068 PolarHBondContact O-N 2.9Å; K1066-R1069 PolarHBondContact O-N 2.7Å; K1066-E1072 WeakPolarHBondContact O-CB 3.3Å
1067	L	83.7	Confident	82.9	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.084	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64.7	-3.1	176.9	-64.4	178.4	0	0	0	113.5	L1001 R1004 K1005 L1008 D1065 R1073	L1001-L1067 HydrophobicContact CD1-CD1 3.81Å; R1004-L1067 HydrophobicContact CG-CD1 4.21Å; K1005-L1067 HydrophobicContact CG-CD1 4.38Å; K1005-L1067 HydrophobicContact CG-CD2 4.31Å; L1008-L1067 HydrophobicContact CD1-CB 4.07Å; L1008-L1067 HydrophobicContact CD1-CD1 4.3Å; D1065-L1067 PolarHBondContact O-N 3.13Å; L1067-R1073 HydrophobicContact CB-CG 4.37Å; L1067-R1073 WeakPolarHBondContact O-CD 3.37Å; L1067-R1073 WeakPolarHBondContact O-CG 3.37Å; L1067-R1073 PolarHBondContact O-NH1 3.37Å
1068	R	85.5	Confident	81.6	Confident	24 Å²	24	46 Å²	46	9%	0.091	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-77.6	-25.8	172	-65.2	-157.5	-176.1	-179.2	3.9	114	D1054 N1055 F1056 E1062 E1063 D1065 K1066 R1073	D1054-R1068 CarbonylContact C-O 3.38Å; D1054-R1068 CarbonylContact O-C 3.56Å; N1055-R1068 CarbonylContact C-O 3.53Å; N1055-R1068 WeakPolarHBondContact CA-O 3.46Å; N1055-R1068 PolarHBondContact N-O 3.42Å; N1055-R1068 WeakPolarHBondContact OD1-CD 3.3Å; N1055-R1068 PolarHBondContact OD1-NH1 3.39Å; F1056-R1068 PolarHBondContact N-O 2.88Å; F1056-R1068 VanDerWaalsContact O-CA 3.3Å; F1056-R1068 WeakPolarHBondContact O-CA 3.09Å; E1062-R1068 PolarHBondContact O-NH2 3.04Å; E1063-R1068 PolarHBondContact O-NH2 3.14Å; E1063-R1068 VanDerWaalsContact O-NH2 3.1Å; D1065-R1068 VanDerWaalsContact O-CB 3.3Å; D1065-R1068 WeakPolarHBondContact O-CB 3.49Å; D1065-R1068 WeakPolarHBondContact O-CG 3.09Å; D1065-R1068 PolarHBondContact O-N 3.41Å; K1066-R1068 PolarHBondContact O-N 2.9Å; R1068-R1073 PolarHBondContact O-NH1 2.88Å
1069	R	86.6	Confident	80	Confident	59 Å²	59	47.4 Å²	47.4	22%	0.223	24%	0.236	C	C	.	.	S	Bend	trans	-78.1	137.1	179.1	-65.5	-175	-178.2	-140.7	-0.8	110.7	L283 E285 D1054 K1066 R1071 E1072 R1073	L283-R1069 VanDerWaalsContact CD1-NH1 3.27Å; E285-R1069 IonicContact OE1-NH1 3.76Å; E285-R1069 IonicContact OE1-NH2 3.6Å; E285-R1069 IonicContact OE2-CZ 4Å; E285-R1069 IonicContact OE2-NH1 2.7Å; E285-R1069 PolarHBondContact OE2-NH1 3.44Å; E285-R1069 IonicContact OE2-NH2 3.77Å; E285-R1069 PolarHBondContact OE2-NH2 3.13Å; D1054-R1069 WeakPolarHBondContact O-CA 3.39Å; K1066-R1069 PolarHBondContact O-N 2.7Å; R1069-R1071 VanDerWaalsContact C-N 3.29Å; R1069-R1071 PolarHBondContact O-N 3.08Å; R1069-E1072 HydrophobicContact CB-CG 4.32Å; R1069-E1072 PolarHBondContact O-N 3.47Å; R1069-R1073 VanDerWaalsContact C-NH1 3.26Å; R1069-R1073 PolarHBondContact O-N 3.07Å; R1069-R1073 PolarHBondContact O-NH1 3.42Å
1070	I	88.4	Confident	78.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-43.2	-179.5	-174.9	166.2	0	0	0	111.3	Y544 M1050 L1053 D1054 E1072 R1073 W1074	Y544-I1070 HydrophobicContact CD1-CG1 4.45Å; Y544-I1070 HydrophobicContact CD1-CG2 3.88Å; Y544-I1070 HydrophobicContact CD2-CD1 4.02Å; Y544-I1070 HydrophobicContact CD2-CG2 4.39Å; Y544-I1070 HydrophobicContact CE1-CG2 3.65Å; Y544-I1070 HydrophobicContact CE2-CG2 4.19Å; Y544-I1070 HydrophobicContact CG-CD1 4.11Å; Y544-I1070 HydrophobicContact CG-CG1 4.2Å; Y544-I1070 HydrophobicContact CG-CG2 4.23Å; M1050-I1070 HydrophobicContact SD-CD1 4.37Å; L1053-I1070 HydrophobicContact CB-CD1 4.14Å; D1054-I1070 HydrophobicContact CB-CG2 4.33Å; D1054-I1070 PolarHBondContact OD1-N 3.08Å; I1070-E1072 VanDerWaalsContact C-N 3.31Å; I1070-E1072 PolarHBondContact O-N 3.49Å; I1070-R1073 PolarHBondContact O-N 3.43Å; I1070-W1074 HydrophobicContact CD1-CD2 4.31Å; I1070-W1074 HydrophobicContact CD1-CE3 4.04Å; I1070-W1074 HydrophobicContact CD1-CH2 3.43Å; I1070-W1074 VanDerWaalsContact CD1-CH2 3.43Å; I1070-W1074 HydrophobicContact CD1-CZ2 3.74Å; I1070-W1074 HydrophobicContact CD1-CZ3 3.6Å; I1070-W1074 HydrophobicContact CG1-CD2 3.77Å; I1070-W1074 HydrophobicContact CG1-CE3 3.85Å; I1070-W1074 HydrophobicContact CG1-CG 4.41Å; I1070-W1074 HydrophobicContact CG1-CH2 4Å; I1070-W1074 HydrophobicContact CG1-CZ2 3.93Å; I1070-W1074 HydrophobicContact CG1-CZ3 3.96Å; I1070-W1074 PolarHBondContact O-N 2.86Å; I1070-W1074 VanDerWaalsContact O-N 3.09Å
1071	R	88.6	Confident	76.9	Confident	8 Å²	8	45 Å²	45	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-41.5	179.9	-176.2	173.6	165.1	-167.3	-12.6	112.6	F281 P282 E509 Y544 M547 R1069 R1075	F281-R1071 PolarHBondContact O-NH2 2.97Å; P282-R1071 PolarHBondContact O-NH1 3.5Å; E509-R1071 IonicContact OE1-CZ 3.02Å; E509-R1071 IonicContact OE1-NE 3.06Å; E509-R1071 PolarHBondContact OE1-NE 3.24Å; E509-R1071 IonicContact OE1-NH2 3.17Å; E509-R1071 PolarHBondContact OE1-NH2 3.1Å; E509-R1071 IonicContact OE2-CZ 2.77Å; E509-R1071 IonicContact OE2-NE 3.64Å; E509-R1071 IonicContact OE2-NH2 2.7Å; E509-R1071 PolarHBondContact OE2-NH2 3.2Å; Y544-R1071 HydrophobicContact CD1-CB 4.42Å; Y544-R1071 HydrophobicContact CE1-CB 4.25Å; M547-R1071 HydrophobicContact CE-CG 3.59Å; M547-R1071 HydrophobicContact SD-CG 4.07Å; R1069-R1071 VanDerWaalsContact C-N 3.29Å; R1069-R1071 PolarHBondContact O-N 3.08Å; R1071-R1075 WeakPolarHBondContact O-CG 3.2Å
1072	E	85.3	Confident	75.1	Confident	29 Å²	29	42.3 Å²	42.3	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-78.4	-35	-178.7	-65.9	-60.3	157.6	0	0	112.6	Q198 K1066 R1069 I1070 R1075	Q198-E1072 PolarHBondContact NE2-OE1 3.16Å; K1066-E1072 WeakPolarHBondContact O-CB 3.3Å; R1069-E1072 HydrophobicContact CB-CG 4.32Å; R1069-E1072 PolarHBondContact O-N 3.47Å; I1070-E1072 VanDerWaalsContact C-N 3.31Å; I1070-E1072 PolarHBondContact O-N 3.49Å; E1072-R1075 WeakPolarHBondContact OE2-CD 3.28Å
1073	R	88	Confident	73.5	Confident	25 Å²	25	40.2 Å²	40.2	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-70.7	-36.6	178.4	-72	-160.8	-51.1	-65.7	-6.8	113.6	E1012 L1053 L1067 R1068 R1069 I1070 R1075	E1012-R1073 IonicContact OE1-CZ 3.65Å; E1012-R1073 IonicContact OE1-NE 3.13Å; E1012-R1073 PolarHBondContact OE1-NE 3.43Å; E1012-R1073 IonicContact OE1-NH2 2.68Å; E1012-R1073 PolarHBondContact OE1-NH2 2.5Å; L1053-R1073 VanDerWaalsContact O-CZ 3.23Å; L1053-R1073 PolarHBondContact O-NH1 3.44Å; L1053-R1073 PolarHBondContact O-NH2 3.27Å; L1067-R1073 HydrophobicContact CB-CG 4.37Å; L1067-R1073 WeakPolarHBondContact O-CD 3.37Å; L1067-R1073 WeakPolarHBondContact O-CG 3.37Å; L1067-R1073 PolarHBondContact O-NH1 3.37Å; R1068-R1073 PolarHBondContact O-NH1 2.88Å; R1069-R1073 VanDerWaalsContact C-NH1 3.26Å; R1069-R1073 PolarHBondContact O-N 3.07Å; R1069-R1073 PolarHBondContact O-NH1 3.42Å; I1070-R1073 PolarHBondContact O-N 3.43Å; R1073-R1075 VanDerWaalsContact C-N 3.29Å
1074	W	86.4	Confident	71.8	Confident	8 Å²	8	32.9 Å²	32.9	3%	0.03	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	8.5	-175.7	-63	-1.2	0	0	0	112.8	Y544 Q545 M547 D548 H815 E1012 F1016 I1070	Y544-W1074 VanDerWaalsContact CB-CE3 3.42Å; Q545-W1074 HydrophobicContact CB-CZ3 4.4Å; Q545-W1074 HydrophobicContact CG-CE3 3.96Å; Q545-W1074 HydrophobicContact CG-CH2 4.17Å; Q545-W1074 HydrophobicContact CG-CZ3 3.44Å; Q545-W1074 VanDerWaalsContact CG-CZ3 3.44Å; M547-W1074 CarbonylContact C-O 3.19Å; D548-W1074 WeakPolarHBondContact CA-O 3.36Å; D548-W1074 PolarHBondContact N-O 3.18Å; H815-W1074 HydrophobicContact CB-CZ2 4.38Å; H815-W1074 AromaticContact CD2-CD2 3.31Å; H815-W1074 AromaticContact CD2-CE2 3.23Å; H815-W1074 AromaticContact CD2-CE3 3.5Å; H815-W1074 AromaticContact CD2-CG 3.97Å; H815-W1074 AromaticContact CD2-CH2 3.64Å; H815-W1074 AromaticContact CD2-CZ2 3.43Å; H815-W1074 VanDerWaalsContact CD2-CZ2 3.43Å; H815-W1074 WeakPolarHBondContact CD2-CZ2 3.32Å; H815-W1074 AromaticContact CD2-CZ3 3.67Å; H815-W1074 AromaticContact CD2-NE1 3.74Å; H815-W1074 AromaticContact NE2-CD2 3.61Å; H815-W1074 AromaticContact NE2-CE3 3.54Å; H815-W1074 AromaticContact NE2-CZ3 3.96Å; E1012-W1074 PolarHBondContact OE1-NE1 2.77Å; E1012-W1074 VanDerWaalsContact OE1-NE1 3.13Å; E1012-W1074 PolarHBondContact OE2-NE1 3.3Å; F1016-W1074 HydrophobicContact CE2-CZ2 4.32Å; F1016-W1074 HydrophobicContact CZ-CH2 4.32Å; F1016-W1074 HydrophobicContact CZ-CZ2 4.31Å; I1070-W1074 HydrophobicContact CD1-CD2 4.31Å; I1070-W1074 HydrophobicContact CD1-CE3 4.04Å; I1070-W1074 HydrophobicContact CD1-CH2 3.43Å; I1070-W1074 VanDerWaalsContact CD1-CH2 3.43Å; I1070-W1074 HydrophobicContact CD1-CZ2 3.74Å; I1070-W1074 HydrophobicContact CD1-CZ3 3.6Å; I1070-W1074 HydrophobicContact CG1-CD2 3.77Å; I1070-W1074 HydrophobicContact CG1-CE3 3.85Å; I1070-W1074 HydrophobicContact CG1-CG 4.41Å; I1070-W1074 HydrophobicContact CG1-CH2 4Å; I1070-W1074 HydrophobicContact CG1-CZ2 3.93Å; I1070-W1074 HydrophobicContact CG1-CZ3 3.96Å; I1070-W1074 PolarHBondContact O-N 2.86Å; I1070-W1074 VanDerWaalsContact O-N 3.09Å
1075	R	83.3	Confident	69.8	Low	24 Å²	24	28.5 Å²	28.5	9%	0.091	14%	0.14	C	C	.	.	S	Bend	trans	-67.1	148.8	164.9	-54.1	-171.5	72	133.3	2.4	109.9	D506 E509 R1071 E1072 R1073	D506-R1075 IonicContact OD1-CZ 3.61Å; D506-R1075 IonicContact OD1-NH1 3.01Å; D506-R1075 IonicContact OD1-NH2 3.96Å; D506-R1075 PolarHBondContact OD1-NH2 3.39Å; E509-R1075 IonicContact OE1-CZ 3.43Å; E509-R1075 IonicContact OE1-NE 3.16Å; E509-R1075 IonicContact OE1-NH1 2.68Å; E509-R1075 PolarHBondContact OE1-NH1 2.63Å; E509-R1075 IonicContact OE1-NH2 2.69Å; E509-R1075 IonicContact OE2-CZ 3.89Å; E509-R1075 VanDerWaalsContact OE2-CZ 3.22Å; E509-R1075 IonicContact OE2-NH1 3.99Å; E509-R1075 PolarHBondContact OE2-NH1 2.81Å; E509-R1075 IonicContact OE2-NH2 3.05Å; E509-R1075 PolarHBondContact OE2-NH2 3.28Å; E509-R1075 VanDerWaalsContact OE2-NH2 3.11Å; R1071-R1075 WeakPolarHBondContact O-CG 3.2Å; E1072-R1075 WeakPolarHBondContact OE2-CD 3.28Å; R1073-R1075 VanDerWaalsContact C-N 3.29Å
1076	P	78.3	Confident	67.6	Low	5 Å²	5	26.5 Å²	26.5	3%	0.032	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-53.9	145.7	169.7	-25.1	35.4	0	0	0	111.6	Y501 I505 M547 L550 D551	Y501-P1076 WeakPolarHBondContact OH-CB 3.45Å; I505-P1076 HydrophobicContact CD1-CG 4.25Å; I505-P1076 HydrophobicContact CG2-CG 4.45Å; M547-P1076 WeakPolarHBondContact O-CD 3.31Å; L550-P1076 HydrophobicContact CB-CG 4.16Å; D551-P1076 HydrophobicContact CB-CB 3.91Å; D551-P1076 HydrophobicContact CB-CG 4.04Å
1077	D	68.7	Low	65.2	Low	55 Å²	55	25.8 Å²	25.8	29%	0.294	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-67.1	147.3	-177.8	-78.1	-44.1	0	0	0	113.1	Y501 R695 K1005 S1079	Y501-D1077 VanDerWaalsContact CE1-O 3.28Å; Y501-D1077 WeakPolarHBondContact CE1-O 3.35Å; Y501-D1077 PolarHBondContact OH-O 2.92Å; R695-D1077 IonicContact NH2-OD2 3.23Å; K1005-D1077 WeakPolarHBondContact CD-OD1 3.47Å; K1005-D1077 WeakPolarHBondContact CE-OD1 3.49Å; K1005-D1077 IonicContact NZ-OD1 3.57Å; K1005-D1077 PolarHBondContact NZ-OD1 3.48Å; D1077-S1079 PolarHBondContact O-N 3.14Å
1078	D	60.3	Low	62.8	Low	49 Å²	49	30.4 Å²	30.4	26%	0.262	15%	0.154	S	C	.	.	S	Bend	trans	-60.2	-2.4	177.7	-80.3	21.4	0	0	0	115.4	K498 P1080	K498-D1078 WeakPolarHBondContact CE-OD2 3.44Å; K498-D1078 IonicContact NZ-OD2 3.55Å; K498-D1078 PolarHBondContact NZ-OD2 2.78Å; D1078-P1080 WeakPolarHBondContact O-CD 3.43Å
1079	S	55.1	Low	60.2	Low	31 Å²	31	37 Å²	37	22%	0.217	20%	0.198	C	C	.	.			trans	-80.1	106.7	179.2	52.2	0	0	0	0	109	D1077 H1081	D1077-S1079 PolarHBondContact O-N 3.14Å; S1079-H1081 PolarHBondContact O-N 3.14Å; S1079-H1081 VanDerWaalsContact O-N 3.09Å
1080	P	49.9	Very low	58.9	Low	27 Å²	27	36 Å²	36	18%	0.175	20%	0.197	C	C	.	.			trans	-62.9	118.9	175.6	26.8	-33.5	0	0	0	108.3	F482 L497 D1078 P1082	F482-P1080 HydrophobicContact CE2-CB 4.41Å; F482-P1080 HydrophobicContact CZ-CB 4.47Å; L497-P1080 HydrophobicContact CD2-CB 3.85Å; L497-P1080 HydrophobicContact CD2-CG 3.92Å; L497-P1080 HydrophobicContact CG-CB 3.98Å; L497-P1080 HydrophobicContact CG-CG 4.3Å; D1078-P1080 WeakPolarHBondContact O-CD 3.43Å; P1080-P1082 VanDerWaalsContact O-CD 3.3Å; P1080-P1082 WeakPolarHBondContact O-CD 3.48Å
1081	H	50.3	Low	57.3	Low	26 Å²	26	37.7 Å²	37.7	12%	0.12	21%	0.206	C	C	.	.			trans	-83.5	113	157.6	-77.9	-67.4	0	0	0	106.7	E554 S1079 A1083	E554-H1081 VanDerWaalsContact OE1-CB 3.25Å; E554-H1081 WeakPolarHBondContact OE1-CB 3.28Å; E554-H1081 IonicContact OE1-CG 3.71Å; S1079-H1081 PolarHBondContact O-N 3.14Å; S1079-H1081 VanDerWaalsContact O-N 3.09Å; H1081-A1083 VanDerWaalsContact C-N 3.31Å; H1081-A1083 PolarHBondContact O-N 3.27Å
1082	P	45.4	Very low	55.6	Low	13 Å²	13	39.4 Å²	39.4	8%	0.084	22%	0.216	C	C	.	.			trans	-71	94.8	176.4	25.1	-29.3	0	0	0	107.7	I487 R567 V684 P1080	I487-P1082 HydrophobicContact CD1-CB 3.99Å; I487-P1082 HydrophobicContact CD1-CG 4.1Å; I487-P1082 HydrophobicContact CG1-CB 4.11Å; I487-P1082 HydrophobicContact CG1-CG 4.46Å; R567-P1082 PolarHBondContact NH1-O 3.22Å; R567-P1082 PolarHBondContact NH2-O 3.49Å; V684-P1082 HydrophobicContact CG1-CG 3.97Å; P1080-P1082 VanDerWaalsContact O-CD 3.3Å; P1080-P1082 WeakPolarHBondContact O-CD 3.48Å
1083	A	46.7	Very low	53.8	Low	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.			trans	-89.5	-25.7	-166.5	0	0	0	0	0	113.5	C553 E554 T557 H1081	C553-A1083 HydrophobicContact CB-CB 3.5Å; C553-A1083 WeakPolarHBondContact O-CB 3.07Å; E554-A1083 HydrophobicContact CG-CB 4.46Å; E554-A1083 WeakPolarHBondContact OE1-CB 3.2Å; T557-A1083 WeakPolarHBondContact CB-O 3.29Å; T557-A1083 WeakPolarHBondContact CG2-O 3.42Å; T557-A1083 WeakPolarHBondContact OG1-CB 3.32Å; T557-A1083 PolarHBondContact OG1-O 3.47Å; H1081-A1083 VanDerWaalsContact C-N 3.31Å; H1081-A1083 PolarHBondContact O-N 3.27Å
1084	L	42.2	Very low	51.7	Low	14 Å²	14	40.9 Å²	40.9	7%	0.073	23%	0.229	C	C	.	.			trans	-135.6	99.9	176.9	-52.8	105.8	0	0	0	112.3	L483 Y556 M561	L483-L1084 HydrophobicContact CB-CB 4.32Å; L483-L1084 HydrophobicContact CD1-CB 3.74Å; L483-L1084 HydrophobicContact CD1-CD1 3.72Å; L483-L1084 HydrophobicContact CD1-CD2 4.02Å; L483-L1084 HydrophobicContact CD1-CG 4.02Å; L483-L1084 HydrophobicContact CD2-CB 3.72Å; L483-L1084 HydrophobicContact CD2-CD1 3.33Å; L483-L1084 HydrophobicContact CD2-CG 4.08Å; L483-L1084 HydrophobicContact CG-CB 4.05Å; L483-L1084 HydrophobicContact CG-CD1 4.11Å; Y556-L1084 WeakPolarHBondContact O-CD2 3.29Å; M561-L1084 HydrophobicContact CE-CB 4.35Å
1085	V	33.9	Very low	49.4	Very low	16 Å²	16	43.1 Å²	43.1	10%	0.097	24%	0.242	C	C	.	.			trans	-107.6	91.2	157.2	-176.4	0	0	0	0	109.2	I487 M561 H566	I487-V1085 HydrophobicContact CD1-CG2 3.54Å; I487-V1085 HydrophobicContact CG1-CG2 3.73Å; M561-V1085 VanDerWaalsContact CE-N 3.3Å; M561-V1085 WeakPolarHBondContact CE-O 3.4Å; M561-V1085 HydrophobicContact SD-CB 4.15Å; M561-V1085 PolarHBondContact SD-N 3.34Å; H566-V1085 VanDerWaalsContact NE2-CG1 3.3Å; H566-V1085 WeakPolarHBondContact NE2-CG1 3.4Å
1086	G	33.1	Very low	47	Very low	19 Å²	19	44.5 Å²	44.5	20%	0.196	25%	0.253	C	S	.	.			trans	-90.6	132.7	159.5	0	0	0	0	0	107.8	F1088	G1086-F1088 WeakPolarHBondContact O-CD2 3.4Å; G1086-F1088 PolarHBondContact O-N 3.25Å
1087	D	28.7	Very low	44.6	Very low	92 Å²	92	47.5 Å²	47.5	49%	0.492	27%	0.27	S	S	.	.			trans	-60.1	93.8	157.5	-91.1	-25.2	0	0	0	107.7	T1089	D1087-T1089 VanDerWaalsContact C-N 3.35Å
1088	F	35.2	Very low	42.5	Very low	113 Å²	113	46.9 Å²	46.9	50%	0.496	27%	0.268	S	S	.	.			trans	-96	13.3	174.9	-67.2	-72.1	0	0	0	112.4	F426 G1086	F426-F1088 HydrophobicContact CD2-CZ 4.22Å; F426-F1088 HydrophobicContact CE2-CZ 4.49Å; F426-F1088 HydrophobicContact CG-CZ 4.4Å; G1086-F1088 WeakPolarHBondContact O-CD2 3.4Å; G1086-F1088 PolarHBondContact O-N 3.25Å
1089	T	29.8	Very low	40.9	Very low	163 Å²	163	46.7 Å²	46.7	100%	1	27%	0.268	S	S	*	.			trans	-77.3	0	165.1	60	0	0	0	0	110.6	K419 D1087	K419-T1089 PolarHBondContact NZ-O 3.28Å; K419-T1089 PolarHBondContact NZ-OXT 2.94Å; K419-T1089 VanDerWaalsContact NZ-OXT 3.08Å; D1087-T1089 VanDerWaalsContact C-N 3.35Å

Retrieved 1,089 of 1,089 residues in 945 ms (Link to these results)

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