A0A087XX45_POEFO Loading...

Lysine-specific histone demethylase

Histone demethylase that can demethylate both 'Lys-4' (H3K4me) and 'Lys-9' (H3K9me) of histone H3, thereby acting as a coactivator or a corepressor, depending on the context. Acts by oxidizing the substrate by FAD to generate the corresponding imine that is subsequently hydrolyzed. Acts as a corepressor by mediating demethylation of H3K4me, a specific tag for epigenetic transcriptional activation. Demethylates both mono- (H3K4me1) and di-methylated (H3K4me2) H3K4me. May play a role in the repression of neuronal genes. Alone, it is unable to demethylate H3K4me on nucleosomes and requires the presence of RCOR1/CoREST to achieve such activity.

AlphaFold DB , UniProt , Accession A0A087XX45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 854 aa.

						>A0A087XX45_POEFO|A0A087XX45
MDITRCTEKWERPPSSSIMLSSKKSDAGSSSSSSSSSVGAAGGERPLGADVQSGPSASAAGPLDPKKKERSSPSGEPGGPPFPHQSGPAGADADSAEVRRTSRRKRAKVEYREMDESLANLSEDEYYSEEERNAKAEKERKQVIPPPAPPPEEENDSEPEEPSGLEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLYIRNRTIQLWLDNPKIQLTFEATVQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRVKPLPTKKTGKVIIIGGGVSGLAAARQLQSFGMDVTVLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAGERCTSVPKEKDEMVEQEFNRLLEATSYLSHQLDFNFLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELRDLLNKMVSTKERVKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAEMQVKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTTQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAIQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALMAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVTRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPAIPGASQPVPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPTATTNPQQAQPAAAV
					

Structure Viewer

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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	41	Very low	34.5	Very low	249 Å²	249	148.1 Å²	148.1	100%	1.227	72%	0.717	S	S	*	*				0	138.7	0	-87.4	176.7	176.1	0	0	108.1
2	D	25.9	Very low	34.3	Very low	130 Å²	130	154.8 Å²	154.8	70%	0.695	73%	0.729	S	S	*	*			trans	99.6	87.9	173.3	-119.9	3.6	0	0	0	117.3	T4	D2-T4 PolarHBondContact OD1-OG1 3.41Å
3	I	36.9	Very low	34.1	Very low	99 Å²	99	151.2 Å²	151.2	51%	0.508	73%	0.727	S	S	.	*	G	3₁₀ helix	trans	-81.1	-12.8	-177.4	-70.6	167.7	0	0	0	112.4	R5 C6 H481	I3-R5 PolarHBondContact O-N 3.03Å; I3-C6 PolarHBondContact O-N 3.21Å; I3-H481 VanDerWaalsContact CD1-CE1 3.41Å; I3-H481 WeakPolarHBondContact CD1-CE1 3.49Å
4	T	33.1	Very low	34.1	Very low	97 Å²	97	149.9 Å²	149.9	60%	0.595	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-65.4	-17.3	174.2	24.1	0	0	0	0	113.7	D2 T7	D2-T4 PolarHBondContact OD1-OG1 3.41Å; T4-T7 PolarHBondContact O-OG1 3.05Å
5	R	33.9	Very low	33.9	Very low	206 Å²	206	147.6 Å²	147.6	78%	0.777	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-82.6	-14.5	177.5	-96.5	-175.8	175.6	-173.8	0.1	115.4	I3	I3-R5 PolarHBondContact O-N 3.03Å
6	C	34.1	Very low	33.6	Very low	94 Å²	94	145.6 Å²	145.6	64%	0.635	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-23.1	-179.4	-87.7	0	0	0	0	113.8	I3	I3-C6 PolarHBondContact O-N 3.21Å
7	T	34	Very low	33.1	Very low	82 Å²	82	143.9 Å²	143.9	50%	0.503	75%	0.75	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-27.1	-178.1	42.4	0	0	0	0	113.5	T4 K9	T4-T7 PolarHBondContact O-OG1 3.05Å; T7-K9 VanDerWaalsContact C-N 3.31Å; T7-K9 PolarHBondContact O-N 3.14Å
8	E	31.9	Very low	32.7	Very low	157 Å²	157	145 Å²	145	73%	0.734	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-14.2	-178.7	-75.1	-173.1	155.3	0	0	114.7	W10	E8-W10 VanDerWaalsContact C-N 3.34Å
9	K	36.1	Very low	32.3	Very low	184 Å²	184	147 Å²	147	80%	0.8	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-7.5	178.1	-94.9	-173.2	175.8	-176.6	0	114.5	T7	T7-K9 VanDerWaalsContact C-N 3.31Å; T7-K9 PolarHBondContact O-N 3.14Å
10	W	42.1	Very low	32.1	Very low	149 Å²	149	147.8 Å²	147.8	56%	0.564	77%	0.767	S	S	*	*	S	Bend	trans	-109.4	3.8	-166.2	-70.6	70.5	0	0	0	115	E8 K449	E8-W10 VanDerWaalsContact C-N 3.34Å; W10-K449 HydrophobicContact CH2-CD 4.1Å; W10-K449 HydrophobicContact CH2-CG 3.83Å; W10-K449 HydrophobicContact CZ3-CD 3.96Å; W10-K449 HydrophobicContact CZ3-CG 3.79Å
11	E	30.6	Very low	31.8	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	77%	0.77	S	S	*	*	S	Bend	trans	-121.3	15.4	-178.6	-73	-168	160.9	0	0	115.7
12	R	31.6	Very low	31.1	Very low	229 Å²	229	140.1 Å²	140.1	86%	0.864	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-95.2	128.8	173.1	-72.7	-170.5	-175.1	-171.9	2.2	112.1
13	P	32.6	Very low	31.2	Very low	107 Å²	107	143.9 Å²	143.9	70%	0.695	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-71.1	150.8	168.5	30.5	-31.1	0	0	0	109.9	S15	P13-S15 PolarHBondContact O-N 3.32Å
14	P	33.8	Very low	30.7	Very low	134 Å²	134	148.3 Å²	148.3	87%	0.87	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.4	118.2	175.6	27.3	-29.9	0	0	0	109.8
15	S	30.4	Very low	30.5	Very low	115 Å²	115	149.4 Å²	149.4	80%	0.804	79%	0.788	S	S	*	*			trans	-111.2	95.5	167	61.1	0	0	0	0	109.5	P13	P13-S15 PolarHBondContact O-N 3.32Å
16	S	29	Very low	30.2	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	79%	0.79	S	S	*	*			trans	-168.1	111.4	147.6	44.9	0	0	0	0	110.1
17	S	25.3	Very low	29.9	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	80%	0.801	S	S	*	*			trans	-68.5	129.2	167.8	-58.2	0	0	0	0	109.7
18	I	27.1	Very low	29.6	Very low	163 Å²	163	147.4 Å²	147.4	84%	0.836	82%	0.817	S	S	*	*			trans	-103.4	114	150.6	-67.4	178.6	0	0	0	106.1	L20	I18-L20 PolarHBondContact O-N 3.15Å
19	M	24.9	Very low	29.4	Very low	183 Å²	183	145.7 Å²	145.7	90%	0.901	82%	0.823	S	S	*	*			trans	-67	116.7	174.4	-73.9	-169.9	-169.7	0	0	109.8
20	L	27	Very low	29	Very low	163 Å²	163	142.4 Å²	142.4	85%	0.853	82%	0.822	S	S	*	*			trans	-81.2	112.9	156.8	-87.4	143.3	0	0	0	108.3	I18 S22	I18-L20 PolarHBondContact O-N 3.15Å; L20-S22 PolarHBondContact O-N 2.81Å
21	S	26.7	Very low	28.4	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	83%	0.833	S	S	*	*			trans	-69.8	114.1	169.1	69.9	0	0	0	0	109.4
22	S	25.8	Very low	28.3	Very low	117 Å²	117	138 Å²	138	82%	0.818	83%	0.834	S	S	*	*			trans	-74.3	122.5	169.4	-62.6	0	0	0	0	110.2	L20	L20-S22 PolarHBondContact O-N 2.81Å
23	K	28.1	Very low	28.2	Very low	208 Å²	208	131.9 Å²	131.9	90%	0.904	83%	0.827	S	S	*	*			trans	-109.4	117.7	152	-95.9	-174.6	178.2	177.8	0	108.3
24	K	27.5	Very low	28.1	Very low	193 Å²	193	131.9 Å²	131.9	84%	0.839	83%	0.829	S	S	*	*			trans	-60.1	141.1	172.9	-75.8	174.3	167.8	-178.2	0	111.1
25	S	28.5	Very low	27.9	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	82%	0.822	S	S	*	*			trans	-140.8	122.9	143.2	54.8	0	0	0	0	108
26	D	26.7	Very low	27.8	Very low	154 Å²	154	130 Å²	130	82%	0.824	82%	0.82	S	S	*	*			trans	-60.7	141.6	-172.8	-65.2	-54.3	0	0	0	113.5
27	A	28.7	Very low	27.9	Very low	105 Å²	105	129.6 Å²	129.6	87%	0.868	82%	0.817	S	S	*	*			trans	-113.3	109.4	158.9	0	0	0	0	0	108.2
28	G	27.4	Very low	28.1	Very low	81 Å²	81	131 Å²	131	84%	0.835	82%	0.82	S	S	*	*			trans	-74.4	127.2	163.7	0	0	0	0	0	109.7
29	S	27.8	Very low	28.1	Very low	122 Å²	122	126.7 Å²	126.7	85%	0.853	82%	0.816	S	S	*	*			trans	-78.4	136.2	173.7	52.7	0	0	0	0	111.8
30	S	28.2	Very low	28.3	Very low	114 Å²	114	123.3 Å²	123.3	80%	0.797	82%	0.817	S	S	*	*			trans	-148.2	110.9	146.2	61	0	0	0	0	111.4
31	S	28.6	Very low	28.5	Very low	112 Å²	112	120.4 Å²	120.4	78%	0.783	82%	0.817	S	S	*	*			trans	-5.9	134.4	152.1	55.6	0	0	0	0	120
32	S	28.9	Very low	28.6	Very low	126 Å²	126	118.9 Å²	118.9	88%	0.881	82%	0.819	S	S	*	*				-168.4	141.1	114	55.2	0	0	0	0	111.7
33	S	29.3	Very low	28.7	Very low	102 Å²	102	116.9 Å²	116.9	71%	0.713	82%	0.817	S	S	*	*			trans	-90.5	158.7	-168.3	46.9	0	0	0	0	114.9
34	S	30.5	Very low	28.8	Very low	106 Å²	106	115.3 Å²	115.3	74%	0.741	81%	0.813	S	S	*	*			trans	59.6	142	141.2	58.2	0	0	0	0	118.7
35	S	29.5	Very low	28.9	Very low	103 Å²	103	116.8 Å²	116.8	72%	0.72	81%	0.814	S	S	*	*			cis	-175.7	147.6	13.1	35.8	0	0	0	0	109.2
36	S	29.1	Very low	30.2	Very low	108 Å²	108	115.8 Å²	115.8	76%	0.755	80%	0.804	S	S	*	*			trans	0.2	139.8	149.7	54.7	0	0	0	0	121
37	S	29.5	Very low	30.4	Very low	106 Å²	106	116.6 Å²	116.6	74%	0.741	81%	0.808	S	S	*	*				171.3	125.8	97.9	59	0	0	0	0	115
38	V	30.1	Very low	30.4	Very low	146 Å²	146	115 Å²	115	89%	0.885	80%	0.801	S	S	*	*				57.1	121.4	128.4	-166.5	0	0	0	0	121.3
39	G	28.1	Very low	30.6	Very low	74 Å²	74	115.5 Å²	115.5	76%	0.763	80%	0.798	S	S	*	*				114	107.2	124.9	0	0	0	0	0	117.7
40	A	28	Very low	30.8	Very low	112 Å²	112	117.1 Å²	117.1	93%	0.926	80%	0.797	S	S	*	*			trans	-151	110.8	153.8	0	0	0	0	0	110.7
41	A	31	Very low	30.9	Very low	102 Å²	102	116.8 Å²	116.8	84%	0.843	79%	0.79	S	S	*	*			trans	-118.5	129.5	166	0	0	0	0	0	108.5
42	G	29.3	Very low	31	Very low	86 Å²	86	119.6 Å²	119.6	89%	0.887	79%	0.791	S	S	*	*			trans	74.8	133.4	142.5	0	0	0	0	0	119.7
43	G	28.1	Very low	31.1	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	79%	0.788	S	S	*	*			trans	142.6	74.5	147.9	0	0	0	0	0	117.9
44	E	29.2	Very low	31	Very low	175 Å²	175	117.7 Å²	117.7	82%	0.818	79%	0.788	S	S	*	*			trans	38.1	115	131.8	-67.1	-166.7	139.4	0	0	123
45	R	30.8	Very low	32	Very low	225 Å²	225	118.5 Å²	118.5	85%	0.849	79%	0.791	S	S	*	*				68.3	167.4	118	-79.6	-163.2	-172.7	-169.5	5.9	119.7
46	P	55.3	Low	32.1	Very low	98 Å²	98	118.8 Å²	118.8	64%	0.636	79%	0.793	S	S	*	*				-135.8	-161.6	-92.1	28.9	-0.7	0	0	0	112.7
47	L	30.6	Very low	32.2	Very low	171 Å²	171	118 Å²	118	90%	0.895	79%	0.793	S	S	*	*			trans	94.8	140.9	152.9	-60.5	161.8	0	0	0	119.8
48	G	29.3	Very low	32.1	Very low	71 Å²	71	119 Å²	119	73%	0.732	80%	0.8	S	S	*	*			trans	108.1	86.4	147.9	0	0	0	0	0	113.9
49	A	32	Very low	32.2	Very low	92 Å²	92	116.7 Å²	116.7	76%	0.76	80%	0.796	S	S	*	*				78.7	116.9	80.3	0	0	0	0	0	114
50	D	31.6	Very low	32.2	Very low	155 Å²	155	118.1 Å²	118.1	83%	0.829	80%	0.801	S	S	*	*				95	135.1	123.2	-94.4	-24.3	0	0	0	123.4
51	V	31	Very low	32.3	Very low	108 Å²	108	116.2 Å²	116.2	66%	0.655	79%	0.792	S	S	*	*			trans	99.2	102.4	141.3	178.2	0	0	0	0	119.7
52	Q	30.2	Very low	33.4	Very low	171 Å²	171	117.1 Å²	117.1	80%	0.799	79%	0.789	S	S	*	*				45.1	128.2	125.4	-56	174.7	-21.4	0	0	120.8
53	S	29.6	Very low	33.4	Very low	118 Å²	118	121.1 Å²	121.1	83%	0.825	79%	0.79	S	S	*	*				149.7	131.6	101.3	55.3	0	0	0	0	111.1
54	G	27.6	Very low	33.7	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	79%	0.791	S	S	*	*			trans	-77.4	-148	171.5	0	0	0	0	0	111.7
55	P	52.9	Low	34.7	Very low	122 Å²	122	121.3 Å²	121.3	79%	0.792	78%	0.784	S	S	*	*			cis	-134.1	-164.6	-17.9	37.7	-18.1	0	0	0	112.1
56	S	29.7	Very low	34.6	Very low	109 Å²	109	119.6 Å²	119.6	76%	0.762	78%	0.783	S	S	*	*			trans	105.6	107.3	148.6	77.9	0	0	0	0	120.4
57	A	31.6	Very low	33.5	Very low	92 Å²	92	124 Å²	124	76%	0.76	79%	0.792	S	S	*	*				39.8	126.8	121.7	0	0	0	0	0	120.9
58	S	28.8	Very low	33.4	Very low	126 Å²	126	126 Å²	126	88%	0.881	79%	0.794	S	S	*	*				165.5	155.1	95.1	51.1	0	0	0	0	112.5
59	A	31.6	Very low	33.5	Very low	99 Å²	99	129.5 Å²	129.5	82%	0.818	79%	0.791	S	S	*	*			trans	-86.8	158	-167.8	0	0	0	0	0	114.6
60	A	28.9	Very low	33.4	Very low	103 Å²	103	135.2 Å²	135.2	85%	0.851	79%	0.793	S	S	*	*				167	131.6	128.8	0	0	0	0	0	110.7
61	G	28.2	Very low	33.2	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	79%	0.792	S	S	*	*			trans	-82.4	-140.8	173.3	0	0	0	0	0	112.5
62	P	56	Low	33.3	Very low	120 Å²	120	133.7 Å²	133.7	78%	0.779	80%	0.799	S	S	*	*			cis	-119.1	-173.7	-33.9	35.7	-18.8	0	0	0	110.3
63	L	29.1	Very low	34.2	Very low	171 Å²	171	131.2 Å²	131.2	90%	0.895	80%	0.798	S	S	*	*			trans	165.8	116.1	142	-87.4	156.7	0	0	0	113
64	D	34.6	Very low	34.4	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	80%	0.799	S	S	*	*			trans	-88.6	169.7	145.1	-109.8	-41.1	0	0	0	107.9
65	P	49.4	Very low	34.4	Very low	105 Å²	105	132 Å²	132	68%	0.682	81%	0.805	S	S	*	*			cis	-153.9	179.8	34.1	35.4	-10.4	0	0	0	118.1
66	K	29.4	Very low	33.5	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.826	81%	0.809	S	S	*	*			trans	139.3	115.1	137.4	-78.4	178.5	178.9	176.2	0	113.3
67	K	31.3	Very low	34.4	Very low	189 Å²	189	136 Å²	136	82%	0.822	81%	0.813	S	S	*	*				75	119.3	77	-110	-170.4	-177.1	-173.3	0	117.1
68	K	28.1	Very low	34.3	Very low	215 Å²	215	135.4 Å²	135.4	94%	0.935	82%	0.815	S	S	*	*			trans	-164.2	131.2	130.2	-113	-178.4	-178.2	-178.9	0	114.3
69	E	32.1	Very low	34.3	Very low	143 Å²	143	133.1 Å²	133.1	67%	0.668	81%	0.811	S	S	*	*			trans	-72.6	179.4	169.3	-71.1	175.8	108.4	0	0	112.3
70	R	30.5	Very low	35.8	Very low	212 Å²	212	134.4 Å²	134.4	80%	0.8	81%	0.811	S	S	*	*			cis	-173.8	157.4	9.5	-130.1	167	-172.9	-125.2	-2.9	108
71	S	27.6	Very low	36.7	Very low	118 Å²	118	135.5 Å²	135.5	83%	0.825	81%	0.81	S	S	*	*				161.8	137.1	115	52.6	0	0	0	0	114.2
72	S	32.3	Very low	37	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	82%	0.815	S	S	*	*			trans	-111.6	170.5	168.9	-49.7	0	0	0	0	109.4
73	P	49.5	Very low	36.7	Very low	119 Å²	119	140.4 Å²	140.4	77%	0.773	81%	0.809	S	S	*	*				-145.9	131	103.8	24.7	-3	0	0	0	113.6
74	S	32.6	Very low	36.7	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	80%	0.799	S	S	*	*				71.2	125.6	88.4	76.1	0	0	0	0	117.5
75	G	29	Very low	36.4	Very low	83 Å²	83	140.4 Å²	140.4	86%	0.856	80%	0.799	S	S	*	*			trans	165.1	98.9	157.5	0	0	0	0	0	116.5
76	E	33.6	Very low	35.5	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	81%	0.807	S	S	*	*			trans	-128.4	152.8	155.1	-110.6	-167.1	-168.6	0	0	105.8
77	P	47.8	Very low	35.4	Very low	129 Å²	129	135.5 Å²	135.5	84%	0.838	80%	0.802	S	S	*	*				-159.9	173.3	74.6	39	-16.7	0	0	0	118
78	G	29.8	Very low	36.6	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	80%	0.804	S	S	*	*			trans	130.7	122.6	142.5	0	0	0	0	0	118.9
79	G	28.3	Very low	36.7	Very low	77 Å²	77	127.5 Å²	127.5	79%	0.794	80%	0.8	S	S	*	*			trans	-98	-155.8	171.4	0	0	0	0	0	115
80	P	63.7	Low	36.5	Very low	126 Å²	126	124 Å²	124	82%	0.818	80%	0.803	S	S	*	*				-107.2	-179.4	-110.3	44.1	-37	0	0	0	114
81	P	48.5	Very low	36.4	Very low	126 Å²	126	118.2 Å²	118.2	82%	0.818	80%	0.8	S	S	*	*				-154.5	169.3	82	37.1	-14.3	0	0	0	117.8
82	F	33.3	Very low	36.5	Very low	195 Å²	195	120 Å²	120	86%	0.855	80%	0.801	S	S	*	*			trans	-70	176.4	160.6	-84	-81.8	0	0	0	111.5
83	P	50.7	Low	36.4	Very low	102 Å²	102	118.8 Å²	118.8	66%	0.662	80%	0.798	S	S	*	*			cis	-152	-168.3	29.8	29.8	-0.5	0	0	0	118.4
84	H	28.8	Very low	35.4	Very low	150 Å²	150	120.2 Å²	120.2	69%	0.694	80%	0.799	S	S	*	*			trans	84.4	111.6	161.3	-73.7	-70.7	0	0	0	119.4
85	Q	28.6	Very low	35.1	Very low	168 Å²	168	119.5 Å²	119.5	79%	0.785	79%	0.794	S	S	*	*				74.9	113.9	76.9	-87.5	-171.5	-9.4	0	0	115
86	S	29.7	Very low	35.1	Very low	122 Å²	122	119.7 Å²	119.7	85%	0.853	79%	0.787	S	S	*	*				171.3	123.7	127.8	38.9	0	0	0	0	110.2
87	G	27	Very low	34.9	Very low	70 Å²	70	119.6 Å²	119.6	72%	0.722	79%	0.787	S	S	*	*			trans	-83.3	-149.3	156.1	0	0	0	0	0	109.5
88	P	56.6	Low	34	Very low	131 Å²	131	118.6 Å²	118.6	85%	0.851	78%	0.778	S	S	*	*			cis	-129.9	-165.4	-33.7	35.9	-17.4	0	0	0	110.3
89	A	29.8	Very low	33.9	Very low	105 Å²	105	125.6 Å²	125.6	87%	0.868	78%	0.78	S	S	*	*			trans	120.6	140	142.8	0	0	0	0	0	118.6
90	G	28.4	Very low	33.8	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	78%	0.783	S	S	*	*			trans	105.6	88.3	146.1	0	0	0	0	0	114.6
91	A	29.3	Very low	32.1	Very low	89 Å²	89	132.5 Å²	132.5	74%	0.736	78%	0.779	S	S	*	*				84.4	120.9	63.4	0	0	0	0	0	114.2
92	D	29.7	Very low	31	Very low	157 Å²	157	131.1 Å²	131.1	84%	0.84	77%	0.773	S	S	*	*			trans	79.9	117.6	131.2	-68.1	-15.5	0	0	0	123.1
93	A	29.5	Very low	30.8	Very low	87 Å²	87	131.9 Å²	131.9	72%	0.719	77%	0.77	S	S	*	*				105.7	118.8	110.3	0	0	0	0	0	120.4
94	D	29	Very low	29.8	Very low	148 Å²	148	137 Å²	137	79%	0.791	78%	0.776	S	S	*	*				79.1	126.3	125	-98.6	-20.6	0	0	0	124.3
95	S	26.1	Very low	29.8	Very low	107 Å²	107	139 Å²	139	75%	0.748	78%	0.782	S	S	*	*			trans	70	148.6	131.3	78.4	0	0	0	0	118.7
96	A	29.2	Very low	29.8	Very low	87 Å²	87	143 Å²	143	72%	0.719	79%	0.79	S	S	*	*			cis	-168.3	157.4	-19	0	0	0	0	0	107.1
97	E	29.9	Very low	29.6	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	78%	0.784	S	S	*	*			trans	91.2	133.6	131.6	-119.5	-169.6	-179.4	0	0	124.7
98	V	27.8	Very low	29.6	Very low	108 Å²	108	147.6 Å²	147.6	66%	0.655	79%	0.791	S	S	*	*			trans	105.3	95.2	144.9	-163.1	0	0	0	0	121.6
99	R	26.9	Very low	28.1	Very low	226 Å²	226	146.4 Å²	146.4	85%	0.853	78%	0.781	S	S	*	*				41.4	133.7	124.9	-63.2	174.9	161.7	162.2	-3.8	122.7
100	R	27.6	Very low	28	Very low	227 Å²	227	149.5 Å²	149.5	86%	0.857	78%	0.778	S	S	*	*				177.1	112.3	100.2	-101.2	-179.7	172.2	155.2	-1.6	112
101	T	27.3	Very low	27.9	Very low	121 Å²	121	155 Å²	155	74%	0.742	78%	0.778	S	S	*	*				63.3	123.8	103.4	62.7	0	0	0	0	118.2
102	S	26.5	Very low	27.9	Very low	97 Å²	97	159.5 Å²	159.5	68%	0.678	78%	0.776	S	S	*	*				169.5	143.7	83.8	88.5	0	0	0	0	115.6
103	R	28.6	Very low	27.9	Very low	211 Å²	211	159 Å²	159	80%	0.796	77%	0.768	S	S	*	*			trans	66.8	143.1	136.9	-76	173.6	177.8	-175.9	1	121
104	R	29.1	Very low	27.7	Very low	210 Å²	210	164 Å²	164	79%	0.792	78%	0.78	S	S	*	*			cis	179.4	158.8	-5.8	-144.4	177.1	-171	179.9	0.2	110.1
105	K	29.4	Very low	27.8	Very low	191 Å²	191	164.5 Å²	164.5	83%	0.83	78%	0.782	S	S	*	*			trans	107	108.2	157.8	-68.3	-178.2	171.9	-179.4	0	115.2
106	R	27.3	Very low	27.9	Very low	252 Å²	252	167.8 Å²	167.8	95%	0.951	79%	0.785	S	S	*	*				55.4	138.2	68	-92.9	-170.7	173	-175.5	-2.2	112.8
107	A	27.3	Very low	27.9	Very low	86 Å²	86	169.1 Å²	169.1	71%	0.711	79%	0.79	S	S	*	*			cis	-165.4	141.9	3.1	0	0	0	0	0	106.4
108	K	25.3	Very low	27.8	Very low	203 Å²	203	169 Å²	169	88%	0.883	79%	0.794	S	S	*	*				76.3	131.8	84.9	-140.7	-169.9	-170.9	-169.4	0	116.3
109	V	25.9	Very low	27.9	Very low	106 Å²	106	167.8 Å²	167.8	64%	0.642	80%	0.795	S	S	*	*			trans	115.6	97.3	145.8	-168	0	0	0	0	118.2
110	E	28.1	Very low	28	Very low	171 Å²	171	164 Å²	164	80%	0.799	79%	0.792	S	S	*	*				19.3	151.2	124.2	-69.2	170.9	173	0	0	123.2
111	Y	26.8	Very low	28	Very low	185 Å²	185	161.4 Å²	161.4	73%	0.725	79%	0.794	S	S	*	*				-162.5	132.9	115.2	-107.7	-63.4	0	0	0	114.8
112	R	27.9	Very low	28.2	Very low	184 Å²	184	161 Å²	161	69%	0.694	80%	0.796	S	S	*	*			trans	70.4	144.1	135.1	-95.8	166.8	167.7	174.6	-19.4	121
113	E	29.5	Very low	28.5	Very low	147 Å²	147	164.6 Å²	164.6	69%	0.687	80%	0.802	S	S	*	*			cis	-166.6	138.8	2.2	-143	153.6	-148.3	0	0	106.3
114	M	26.5	Very low	28.6	Very low	193 Å²	193	161.4 Å²	161.4	95%	0.951	80%	0.801	S	S	*	*			trans	-142.8	141.3	158.9	-150.7	-173.8	-52.2	0	0	108.6
115	D	30.9	Very low	28.9	Very low	158 Å²	158	159.8 Å²	159.8	85%	0.845	80%	0.802	S	S	*	*			trans	-69	154	-151.6	-142.7	-13.3	0	0	0	116.1
116	E	28.6	Very low	29.2	Very low	175 Å²	175	161.4 Å²	161.4	82%	0.818	81%	0.805	S	S	*	*			trans	-81.3	147	177.6	-68.1	175.5	149.6	0	0	111.5
117	S	28.2	Very low	29.7	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	79%	0.791	S	S	*	*				174.3	89.7	129.4	43.2	0	0	0	0	112.5
118	L	28.8	Very low	31	Very low	183 Å²	183	156.8 Å²	156.8	96%	0.958	78%	0.781	S	S	*	*			trans	-139.3	106.8	148.6	-86.4	175.6	0	0	0	107.9
119	A	29.5	Very low	32.1	Very low	81 Å²	81	154.3 Å²	154.3	67%	0.669	77%	0.772	S	S	*	*			trans	-100.8	144	174.2	0	0	0	0	0	110.2
120	N	28.8	Very low	33.2	Very low	147 Å²	147	157.5 Å²	157.5	79%	0.786	78%	0.781	S	S	*	*			trans	76.8	114.7	159.2	-54.8	-20.1	0	0	0	116.8
121	L	28.9	Very low	34.2	Very low	173 Å²	173	154.8 Å²	154.8	91%	0.906	77%	0.768	S	S	*	*				-164.7	149.6	93.2	-89.7	162.8	0	0	0	110.5
122	S	30.6	Very low	35.5	Very low	111 Å²	111	152.8 Å²	152.8	78%	0.776	76%	0.759	S	S	*	*			trans	-82.2	166.8	-161.2	49.2	0	0	0	0	115.5
123	E	32.5	Very low	36.8	Very low	174 Å²	174	149.7 Å²	149.7	81%	0.813	76%	0.756	S	S	*	*			trans	-50.5	147.5	172.6	-61.2	168.8	145	0	0	114
124	D	31.7	Very low	37.8	Very low	143 Å²	143	145.9 Å²	145.9	77%	0.765	75%	0.75	S	S	*	*				-170.8	131.7	119.7	-91.7	-23.6	0	0	0	114.4
125	E	34.8	Very low	38.9	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.822	73%	0.734	S	S	*	*			trans	81.4	132.7	138.8	-66.5	-171.6	159.5	0	0	125
126	Y	34.6	Very low	39.8	Very low	225 Å²	225	138.2 Å²	138.2	88%	0.882	71%	0.713	S	S	*	*			trans	-75.6	133.7	-174.7	-110.6	-116.3	0	0	0	112.8
127	Y	39.4	Very low	40.7	Very low	170 Å²	170	137.4 Å²	137.4	67%	0.667	71%	0.71	S	S	*	*			trans	-117	139.8	160.2	-80	-81.9	0	0	0	111.1	E131 R132	Y127-E131 VanDerWaalsContact CD1-OE2 3.25Å; Y127-E131 WeakPolarHBondContact CD1-OE2 3.46Å; Y127-R132 PolarHBondContact O-NE 3.45Å; Y127-R132 PolarHBondContact O-NH2 2.88Å
128	S	54.5	Low	41.4	Very low	72 Å²	72	140.1 Å²	140.1	50%	0.503	71%	0.707	S	S	.	*			trans	-69.5	156.3	-173.3	70.6	0	0	0	0	114	E130 E131	S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 PolarHBondContact O-N 3.01Å; S128-E131 PolarHBondContact O-N 3.43Å
129	E	47.9	Very low	42.1	Very low	150 Å²	150	137.6 Å²	137.6	70%	0.701	69%	0.69	S	S	*	*	H	α-helix	trans	-63.3	-22.4	-170.3	-80.3	-179.7	147.8	0	0	115.1	N133	E129-N133 PolarHBondContact O-N 2.7Å
130	E	48.4	Very low	42.7	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	70%	0.699	S	S	*	*	H	α-helix	trans	-77.4	-28	179.7	-77.2	172	151.7	0	0	112.9	S128 A134	S128-E130 VanDerWaalsContact C-N 3.27Å; S128-E130 PolarHBondContact O-N 3.01Å; E130-A134 PolarHBondContact O-N 3.3Å
131	E	49.7	Very low	43.4	Very low	113 Å²	113	146.9 Å²	146.9	53%	0.528	70%	0.702	S	S	.	*	H	α-helix	trans	-78.5	-26.2	173.1	-78.9	177.5	136	0	0	112.8	Y127 S128 K135	Y127-E131 VanDerWaalsContact CD1-OE2 3.25Å; Y127-E131 WeakPolarHBondContact CD1-OE2 3.46Å; S128-E131 PolarHBondContact O-N 3.43Å; E131-K135 WeakPolarHBondContact O-CB 3.29Å; E131-K135 PolarHBondContact O-N 2.87Å
132	R	54.2	Low	43.7	Very low	143 Å²	143	146 Å²	146	54%	0.54	69%	0.693	S	S	.	*	H	α-helix	trans	-67.3	-39	174.1	-79.9	-176.2	-123.3	179.7	0.3	112.3	Y127 K135 A136	Y127-R132 PolarHBondContact O-NE 3.45Å; Y127-R132 PolarHBondContact O-NH2 2.88Å; R132-K135 PolarHBondContact O-N 3.16Å; R132-A136 WeakPolarHBondContact O-CB 3.03Å; R132-A136 PolarHBondContact O-N 3.14Å
133	N	54.1	Low	44.2	Very low	119 Å²	119	147.7 Å²	147.7	64%	0.636	70%	0.698	S	S	*	*	H	α-helix	trans	-74.7	-35	-179.4	-75.7	-17.1	0	0	0	112.7	E129 K135 A136 E137	E129-N133 PolarHBondContact O-N 2.7Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 2.84Å; N133-A136 PolarHBondContact O-N 2.87Å; N133-E137 PolarHBondContact O-N 2.99Å
134	A	51.2	Low	44.6	Very low	68 Å²	68	146.2 Å²	146.2	56%	0.562	70%	0.695	S	S	*	*	H	α-helix	trans	-68.7	-27.5	174.3	0	0	0	0	0	113.2	E130	E130-A134 PolarHBondContact O-N 3.3Å
135	K	50.1	Low	45.3	Very low	139 Å²	139	144 Å²	144	60%	0.604	69%	0.688	S	S	*	*	H	α-helix	trans	-80.3	-37.9	175	-150.5	175.2	-178.2	-177.6	0	112.1	E131 R132 N133 E137 K138 E139	E131-K135 WeakPolarHBondContact O-CB 3.29Å; E131-K135 PolarHBondContact O-N 2.87Å; R132-K135 PolarHBondContact O-N 3.16Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 2.84Å; K135-E137 VanDerWaalsContact C-N 3.3Å; K135-E137 PolarHBondContact O-N 2.87Å; K135-K138 PolarHBondContact O-N 2.84Å; K135-E139 PolarHBondContact O-N 2.89Å
136	A	49.8	Very low	46	Very low	50 Å²	50	141 Å²	141	41%	0.413	68%	0.684	S	S	.	*	H	α-helix	trans	-65.3	-27.9	178	0	0	0	0	0	114	R132 N133	R132-A136 WeakPolarHBondContact O-CB 3.03Å; R132-A136 PolarHBondContact O-N 3.14Å; N133-A136 PolarHBondContact O-N 2.87Å
137	E	46.3	Very low	46.7	Very low	159 Å²	159	136.1 Å²	136.1	74%	0.743	68%	0.68	S	S	*	*	H	α-helix	trans	-85.7	-23	177.2	-145.5	168.7	-167.8	0	0	112.9	N133 K135	N133-E137 PolarHBondContact O-N 2.99Å; K135-E137 VanDerWaalsContact C-N 3.3Å; K135-E137 PolarHBondContact O-N 2.87Å
138	K	43.8	Very low	47	Very low	173 Å²	173	132.2 Å²	132.2	75%	0.752	68%	0.682	S	S	*	*	H	α-helix	trans	-81	-26	173.4	-133.8	174.6	-175.6	178.2	0	112.7	K135	K135-K138 PolarHBondContact O-N 2.84Å
139	E	42.6	Very low	46.6	Very low	130 Å²	130	133.5 Å²	133.5	61%	0.607	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-82.3	-13.9	175.4	-75.7	175.6	176.4	0	0	113.8	K135 K141	K135-E139 PolarHBondContact O-N 2.89Å; E139-K141 VanDerWaalsContact C-N 3.28Å; E139-K141 PolarHBondContact O-N 2.84Å
140	R	42.8	Very low	46.7	Very low	227 Å²	227	131.3 Å²	131.3	86%	0.857	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-80	4	175	-86	-173.4	177.1	-143.8	0.3	115.5
141	K	43.9	Very low	46.1	Very low	196 Å²	196	128.9 Å²	128.9	85%	0.852	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-128.9	25.8	177.8	-84.2	-172.1	178.5	176.7	0	115.1	E139	E139-K141 VanDerWaalsContact C-N 3.28Å; E139-K141 PolarHBondContact O-N 2.84Å
142	Q	35.4	Very low	45.7	Very low	155 Å²	155	129.6 Å²	129.6	72%	0.724	69%	0.69	S	S	*	*			trans	-119.9	108.6	165.9	-74.8	-176.2	-2.2	0	0	109.9	I144	Q142-I144 PolarHBondContact O-N 3.35Å
143	V	40.8	Very low	45.1	Very low	145 Å²	145	131.9 Å²	131.9	88%	0.879	71%	0.707	S	S	*	*			trans	-69.3	99.5	165.7	178.1	0	0	0	0	106.3	P145	V143-P145 WeakPolarHBondContact O-CD 3.42Å
144	I	40	Very low	44.4	Very low	143 Å²	143	133.3 Å²	133.3	73%	0.733	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-70	120.2	171.3	-57	172.5	0	0	0	106.2	Q142	Q142-I144 PolarHBondContact O-N 3.35Å
145	P	47.8	Very low	43.6	Very low	98 Å²	98	137 Å²	137	64%	0.636	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-61.1	146.1	171.6	25.5	-30.4	0	0	0	108.9	V143	V143-P145 WeakPolarHBondContact O-CD 3.42Å
146	P	48.9	Very low	43.3	Very low	113 Å²	113	136.8 Å²	136.8	73%	0.734	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-54	146.9	-179.2	23.5	-32.6	0	0	0	110.3	A148	P146-A148 PolarHBondContact O-N 3.45Å
147	P	48.1	Very low	42.9	Very low	122 Å²	122	139.5 Å²	139.5	79%	0.792	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-53.9	134.7	178	22.6	-31.1	0	0	0	108.6
148	A	45.7	Very low	43.3	Very low	87 Å²	87	136.8 Å²	136.8	72%	0.719	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-52.3	135.3	172.8	0	0	0	0	0	107.8	P146	P146-A148 PolarHBondContact O-N 3.45Å
149	P	47.8	Very low	43.9	Very low	99 Å²	99	133.5 Å²	133.5	64%	0.643	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-52.8	147.8	173.4	22.9	-30.8	0	0	0	108.6
150	P	48.8	Very low	44.9	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-49.3	142.1	170.9	22.8	-31.7	0	0	0	108.1	E152	P150-E152 PolarHBondContact O-N 3.44Å
151	P	37	Very low	46.4	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	72%	0.722	S	S	*	*			trans	-51.8	114.7	175.4	21.2	-29.4	0	0	0	106.7	E153	P151-E153 PolarHBondContact O-N 3.33Å
152	E	41	Very low	48.3	Very low	128 Å²	128	124 Å²	124	60%	0.598	70%	0.699	S	S	*	*			trans	-56.7	116.8	170	-70.3	177.6	169.3	0	0	104	P150 E154	P150-E152 PolarHBondContact O-N 3.44Å; E152-E154 HydrophobicContact CB-CG 4.39Å; E152-E154 PolarHBondContact O-N 3.4Å
153	E	40.1	Very low	50.8	Low	192 Å²	192	121.4 Å²	121.4	90%	0.897	70%	0.698	S	S	*	*			trans	-65.1	76.6	162.5	-74.1	-175.5	170	0	0	106.2	P151 N155	P151-E153 PolarHBondContact O-N 3.33Å; E153-N155 PolarHBondContact O-N 2.88Å
154	E	39.4	Very low	53.3	Low	148 Å²	148	116.3 Å²	116.3	69%	0.692	68%	0.675	S	S	*	*			trans	-67.6	80.8	160.8	-79	-171.7	161.2	0	0	105.8	E152 D156	E152-E154 HydrophobicContact CB-CG 4.39Å; E152-E154 PolarHBondContact O-N 3.4Å; E154-D156 PolarHBondContact O-N 2.99Å; E154-D156 VanDerWaalsContact O-N 3.11Å
155	N	36.2	Very low	55.9	Low	146 Å²	146	111.8 Å²	111.8	78%	0.781	65%	0.652	S	S	*	*			trans	-81.4	45.8	167.5	-161.5	31.5	0	0	0	110.1	E153	E153-N155 PolarHBondContact O-N 2.88Å
156	D	42.7	Very low	58.2	Low	135 Å²	135	112 Å²	112	72%	0.722	64%	0.644	S	S	*	*			trans	-92.3	92.5	159.3	-84.6	-22.1	0	0	0	105.2	E154 E158	E154-D156 PolarHBondContact O-N 2.99Å; E154-D156 VanDerWaalsContact O-N 3.11Å; D156-E158 PolarHBondContact O-N 2.96Å
157	S	41.4	Very low	60.5	Low	106 Å²	106	107.2 Å²	107.2	74%	0.741	62%	0.615	S	S	*	*			trans	-63	80.8	159.6	54.5	0	0	0	0	107.1
158	E	54.1	Low	62.9	Low	103 Å²	103	101.6 Å²	101.6	48%	0.481	58%	0.579	S	S	.	*			trans	-53.5	125.4	171.7	-76.2	-166.7	167.7	0	0	106.1	D156 E160 K346	D156-E158 PolarHBondContact O-N 2.96Å; E158-E160 PolarHBondContact O-N 3.15Å; E158-K346 IonicContact OE1-NZ 3.82Å
159	P	56.4	Low	65.4	Low	104 Å²	104	97.5 Å²	97.5	68%	0.675	55%	0.545	S	S	*	.			trans	-54.4	131	-179.4	18.4	-28.6	0	0	0	108.8	E161	P159-E161 PolarHBondContact O-N 3.35Å
160	E	63.6	Low	67.8	Low	194 Å²	194	96 Å²	96	91%	0.907	53%	0.528	S	S	*	.			trans	-52.4	112.6	-179.2	-82	-170	154.3	0	0	109.4	E158	E158-E160 PolarHBondContact O-N 3.15Å
161	E	74.8	Confident	70.1	Confident	103 Å²	103	92.5 Å²	92.5	48%	0.481	50%	0.503	S	S	.	.			trans	-62.1	134.2	177.3	-70.7	-164.4	151.8	0	0	109.1	P159 S163 T558	P159-E161 PolarHBondContact O-N 3.35Å; E161-S163 PolarHBondContact O-N 3.4Å; E161-T558 PolarHBondContact OE1-OG1 3.47Å
162	P	85.3	Confident	73.1	Confident	56 Å²	56	87 Å²	87	36%	0.364	47%	0.467	S	S	.	.			trans	-55.5	136.9	179.4	-23.6	32.2	0	0	0	110.9	E166 G167 F170	P162-E166 HydrophobicContact CB-CB 4.39Å; P162-G167 WeakPolarHBondContact O-CA 3.49Å; P162-F170 HydrophobicContact CB-CB 4.4Å; P162-F170 HydrophobicContact CG-CB 4.22Å; P162-F170 HydrophobicContact CG-CD1 4.31Å; P162-F170 HydrophobicContact CG-CD2 4.36Å; P162-F170 HydrophobicContact CG-CG 4.04Å
163	S	86.5	Confident	75.8	Confident	100 Å²	100	83.8 Å²	83.8	70%	0.699	45%	0.45	S	S	*	.			trans	-108.4	169.2	-177	72	0	0	0	0	112.5	E161 L165 E166 G167	E161-S163 PolarHBondContact O-N 3.4Å; S163-L165 PolarHBondContact O-N 2.84Å; S163-E166 PolarHBondContact O-N 2.91Å; S163-G167 PolarHBondContact O-N 2.79Å; S163-G167 VanDerWaalsContact O-N 3.09Å
164	G	94.1	Very high	78.6	Confident	39 Å²	39	75.8 Å²	75.8	40%	0.402	41%	0.413	S	S	.	.	H	α-helix	trans	61.3	-132	176.4	0	0	0	0	0	114.1	A168	G164-A168 PolarHBondContact O-N 2.63Å; G164-A168 VanDerWaalsContact O-N 3.12Å
165	L	94.9	Very high	81.4	Confident	47 Å²	47	70.6 Å²	70.6	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-70.8	-35	-177.9	-65	177.1	0	0	0	113	S163 A168 A169 Y203 N206 R207	S163-L165 PolarHBondContact O-N 2.84Å; L165-A168 PolarHBondContact O-N 2.85Å; L165-A169 PolarHBondContact O-N 3.49Å; L165-Y203 HydrophobicContact CD1-CD2 3.63Å; L165-Y203 HydrophobicContact CD1-CE2 3.45Å; L165-Y203 VanDerWaalsContact CD1-CE2 3.45Å; L165-N206 HydrophobicContact CB-CB 4.07Å; L165-N206 HydrophobicContact CD2-CB 4.26Å; L165-R207 HydrophobicContact CD2-CB 3.76Å; L165-R207 HydrophobicContact CD2-CG 4.39Å
166	E	96.4	Very high	84.3	Confident	104 Å²	104	67 Å²	67	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-69.7	-43.6	178.5	-53.7	-171.2	161.3	0	0	109.6	P162 S163 A168 A169 F170 H176	P162-E166 HydrophobicContact CB-CB 4.39Å; S163-E166 PolarHBondContact O-N 2.91Å; E166-A168 VanDerWaalsContact C-N 3.31Å; E166-A168 PolarHBondContact O-N 2.73Å; E166-A169 PolarHBondContact O-N 2.88Å; E166-F170 WeakPolarHBondContact O-CB 3.43Å; E166-F170 PolarHBondContact O-N 2.99Å; E166-H176 HydrophobicContact CB-CB 4.24Å; E166-H176 HydrophobicContact CG-CB 4.29Å; E166-H176 WeakPolarHBondContact CG-ND1 3.28Å; E166-H176 IonicContact OE1-CE1 3.95Å; E166-H176 PolarHBondContact OE1-CE1 2.92Å; E166-H176 VanDerWaalsContact OE1-CE1 3.22Å; E166-H176 IonicContact OE1-ND1 3.51Å; E166-H176 PolarHBondContact OE1-ND1 3.37Å
167	G	96.6	Very high	86.9	Confident	12 Å²	12	65.9 Å²	65.9	12%	0.124	36%	0.364	C	S	.	.	H	α-helix	trans	-54.8	-42	170	0	0	0	0	0	113.9	P162 S163 A169 F170 Q171	P162-G167 WeakPolarHBondContact O-CA 3.49Å; S163-G167 PolarHBondContact O-N 2.79Å; S163-G167 VanDerWaalsContact O-N 3.09Å; G167-A169 PolarHBondContact O-N 2.68Å; G167-F170 PolarHBondContact O-N 2.86Å; G167-Q171 VanDerWaalsContact O-CB 3.26Å; G167-Q171 WeakPolarHBondContact O-CB 3.47Å; G167-Q171 PolarHBondContact O-N 2.87Å
168	A	98.1	Very high	89.6	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.033	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-42.5	178	0	0	0	0	0	112.8	G164 L165 E166 S172 I209 Q210 L213	G164-A168 PolarHBondContact O-N 2.63Å; G164-A168 VanDerWaalsContact O-N 3.12Å; L165-A168 PolarHBondContact O-N 2.85Å; E166-A168 VanDerWaalsContact C-N 3.31Å; E166-A168 PolarHBondContact O-N 2.73Å; A168-S172 WeakPolarHBondContact O-CB 3.38Å; A168-S172 PolarHBondContact O-N 2.87Å; A168-S172 PolarHBondContact O-OG 2.85Å; A168-S172 VanDerWaalsContact O-OG 3.08Å; A168-I209 HydrophobicContact CB-CB 4.43Å; A168-I209 HydrophobicContact CB-CG2 4.02Å; A168-I209 VanDerWaalsContact O-CG2 3.27Å; A168-I209 WeakPolarHBondContact O-CG2 3.26Å; A168-Q210 HydrophobicContact CB-CB 3.63Å; A168-Q210 HydrophobicContact CB-CG 4.2Å; A168-L213 HydrophobicContact CB-CD1 4.29Å
169	A	98.3	Very high	91.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-46.2	175.8	0	0	0	0	0	111.3	L165 E166 G167 Q171 S172 R173 L174 H176	L165-A169 PolarHBondContact O-N 3.49Å; E166-A169 PolarHBondContact O-N 2.88Å; G167-A169 PolarHBondContact O-N 2.68Å; A169-Q171 PolarHBondContact O-N 2.88Å; A169-S172 CarbonylContact O-C 3.38Å; A169-S172 WeakPolarHBondContact O-CA 3.25Å; A169-S172 PolarHBondContact O-N 2.98Å; A169-R173 PolarHBondContact O-N 3.21Å; A169-R173 VanDerWaalsContact O-N 3.1Å; A169-L174 CarbonylContact C-O 3.31Å; A169-L174 VanDerWaalsContact C-O 3.31Å; A169-L174 HydrophobicContact CB-CB 4.47Å; A169-L174 PolarHBondContact O-N 3.22Å; A169-H176 HydrophobicContact CB-CB 3.67Å
170	F	98.2	Very high	93.7	Very high	67 Å²	67	61.1 Å²	61.1	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-50.5	174.6	171.2	-100.5	0	0	0	111.9	P162 E166 G167 S172 R173 T558	P162-F170 HydrophobicContact CB-CB 4.4Å; P162-F170 HydrophobicContact CG-CB 4.22Å; P162-F170 HydrophobicContact CG-CD1 4.31Å; P162-F170 HydrophobicContact CG-CD2 4.36Å; P162-F170 HydrophobicContact CG-CG 4.04Å; E166-F170 WeakPolarHBondContact O-CB 3.43Å; E166-F170 PolarHBondContact O-N 2.99Å; G167-F170 PolarHBondContact O-N 2.86Å; F170-S172 PolarHBondContact O-N 2.88Å; F170-R173 PolarHBondContact O-N 3.14Å; F170-T558 HydrophobicContact CZ-CG2 3.95Å
171	Q	98.2	Very high	95.3	Very high	33 Å²	33	57.1 Å²	57.1	15%	0.154	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-21.8	177.9	-171.1	58.4	35.1	0	0	113	G167 A169 R173 L213 L328 N331	G167-Q171 VanDerWaalsContact O-CB 3.26Å; G167-Q171 WeakPolarHBondContact O-CB 3.47Å; G167-Q171 PolarHBondContact O-N 2.87Å; A169-Q171 PolarHBondContact O-N 2.88Å; Q171-R173 PolarHBondContact O-NH1 2.83Å; Q171-R173 VanDerWaalsContact O-NH1 3.1Å; Q171-L213 HydrophobicContact CB-CD1 3.71Å; Q171-L213 HydrophobicContact CG-CD1 3.78Å; Q171-L213 HydrophobicContact CG-CD2 4.2Å; Q171-L328 PolarHBondContact NE2-O 2.82Å; Q171-L328 PolarHBondContact OE1-O 3.25Å; Q171-N331 PolarHBondContact NE2-O 3.29Å
172	S	98.4	Very high	96.4	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.035	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	5.8	176.7	-59.2	0	0	0	0	114.1	A168 A169 F170 L174 I209	A168-S172 WeakPolarHBondContact O-CB 3.38Å; A168-S172 PolarHBondContact O-N 2.87Å; A168-S172 PolarHBondContact O-OG 2.85Å; A168-S172 VanDerWaalsContact O-OG 3.08Å; A169-S172 CarbonylContact O-C 3.38Å; A169-S172 WeakPolarHBondContact O-CA 3.25Å; A169-S172 PolarHBondContact O-N 2.98Å; F170-S172 PolarHBondContact O-N 2.88Å; S172-L174 VanDerWaalsContact C-N 3.34Å; S172-I209 WeakPolarHBondContact OG-CG2 3.44Å
173	R	98.4	Very high	97	Very high	61 Å²	61	54 Å²	54	23%	0.23	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	39.8	-179.7	-53.6	151.6	-61.8	-70	-9.4	112.3	A169 F170 Q171 G330 F557 Y804	A169-R173 PolarHBondContact O-N 3.21Å; A169-R173 VanDerWaalsContact O-N 3.1Å; F170-R173 PolarHBondContact O-N 3.14Å; Q171-R173 PolarHBondContact O-NH1 2.83Å; Q171-R173 VanDerWaalsContact O-NH1 3.1Å; R173-G330 WeakPolarHBondContact CD-O 3.47Å; R173-G330 VanDerWaalsContact CG-O 3.29Å; R173-G330 WeakPolarHBondContact CG-O 3.47Å; R173-G330 PolarHBondContact NH1-O 3.26Å; R173-F557 HydrophobicContact CG-CE1 3.99Å; R173-Y804 WeakPolarHBondContact CD-OH 3.47Å
174	L	98.4	Very high	97.5	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.126	27%	0.266	C	S	.	.			trans	-122.8	141.5	180	-63.1	174.2	0	0	0	110.7	A169 S172 H176 T180 I209 L252	A169-L174 CarbonylContact C-O 3.31Å; A169-L174 VanDerWaalsContact C-O 3.31Å; A169-L174 HydrophobicContact CB-CB 4.47Å; A169-L174 PolarHBondContact O-N 3.22Å; S172-L174 VanDerWaalsContact C-N 3.34Å; L174-H176 PolarHBondContact O-N 3.03Å; L174-T180 HydrophobicContact CD2-CG2 3.71Å; L174-I209 HydrophobicContact CD1-CD1 3.81Å; L174-L252 HydrophobicContact CD1-CD1 4.12Å; L174-L252 HydrophobicContact CD1-CD2 4.39Å
175	P	97.8	Very high	97.7	Very high	39 Å²	39	52.1 Å²	52.1	25%	0.253	28%	0.277	S	S	.	.			trans	-65.3	126.2	167.8	26.7	-31.2	0	0	0	109.8	D177 R178 T180 R205	P175-D177 VanDerWaalsContact C-N 3.29Å; P175-D177 PolarHBondContact O-N 3.25Å; P175-R178 HydrophobicContact CB-CB 4.12Å; P175-R178 HydrophobicContact CG-CB 4.19Å; P175-T180 HydrophobicContact CG-CG2 4.09Å; P175-R205 PolarHBondContact O-NH1 3.44Å; P175-R205 PolarHBondContact O-NH2 2.7Å
176	H	97.7	Very high	97.8	Very high	71 Å²	71	50.5 Å²	50.5	33%	0.329	27%	0.27	S	S	.	.	S	Bend	trans	-68.3	-29.6	-174.9	69.6	106.1	0	0	0	113	E166 A169 L174 R205 N206	E166-H176 HydrophobicContact CB-CB 4.24Å; E166-H176 HydrophobicContact CG-CB 4.29Å; E166-H176 WeakPolarHBondContact CG-ND1 3.28Å; E166-H176 IonicContact OE1-CE1 3.95Å; E166-H176 PolarHBondContact OE1-CE1 2.92Å; E166-H176 VanDerWaalsContact OE1-CE1 3.22Å; E166-H176 IonicContact OE1-ND1 3.51Å; E166-H176 PolarHBondContact OE1-ND1 3.37Å; A169-H176 HydrophobicContact CB-CB 3.67Å; L174-H176 PolarHBondContact O-N 3.03Å; H176-R205 PolarHBondContact O-NH2 3.46Å; H176-R205 VanDerWaalsContact O-NH2 3.09Å; H176-N206 PolarHBondContact O-ND2 3.42Å
177	D	97.4	Very high	97.8	Very high	111 Å²	111	45.5 Å²	45.5	59%	0.594	25%	0.246	S	C	*	.	S	Bend	trans	-109	-0.4	-170.3	68.2	-23.9	0	0	0	114	P175 L202	P175-D177 VanDerWaalsContact C-N 3.29Å; P175-D177 PolarHBondContact O-N 3.25Å; D177-L202 VanDerWaalsContact O-CD1 3.31Å; D177-L202 WeakPolarHBondContact O-CD1 3.4Å
178	R	98	Very high	97.8	Very high	170 Å²	170	48 Å²	48	64%	0.642	26%	0.26	S	S	*	.	S	Bend	trans	-135.8	145.7	-177.6	-166.2	174.9	65.3	-169.6	-2.9	112.2	P175 L202	P175-R178 HydrophobicContact CB-CB 4.12Å; P175-R178 HydrophobicContact CG-CB 4.19Å; R178-L202 VanDerWaalsContact C-CD2 3.45Å; R178-L202 WeakPolarHBondContact O-CD2 3.23Å
179	M	98.6	Very high	97.7	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.069	27%	0.272	C	S	.	.			trans	-77.9	137.1	169.7	-64.7	-179.8	72	0	0	110.2	E183 F187 I190 I191 Q198 F201 L202	M179-E183 WeakPolarHBondContact CA-OE2 3.26Å; M179-E183 HydrophobicContact CB-CB 4.43Å; M179-E183 HydrophobicContact CE-CB 4.13Å; M179-F187 HydrophobicContact CE-CB 3.91Å; M179-I190 HydrophobicContact CE-CB 4.28Å; M179-I190 HydrophobicContact CE-CG2 4.15Å; M179-I190 HydrophobicContact SD-CG2 3.88Å; M179-I191 HydrophobicContact CB-CD1 4.06Å; M179-I191 HydrophobicContact CE-CB 4.15Å; M179-I191 HydrophobicContact SD-CB 3.89Å; M179-I191 HydrophobicContact SD-CG1 4.18Å; M179-Q198 HydrophobicContact SD-CB 4.49Å; M179-Q198 HydrophobicContact SD-CG 4.28Å; M179-F201 HydrophobicContact CE-CD1 3.88Å; M179-F201 HydrophobicContact CE-CE1 3.73Å; M179-F201 HydrophobicContact CE-CE2 4.4Å; M179-F201 HydrophobicContact CE-CG 4.33Å; M179-F201 HydrophobicContact CE-CZ 4Å; M179-F201 HydrophobicContact CG-CD1 3.89Å; M179-F201 HydrophobicContact CG-CE1 3.93Å; M179-F201 HydrophobicContact SD-CD1 4.01Å; M179-F201 HydrophobicContact SD-CE1 4.3Å; M179-L202 HydrophobicContact CG-CD2 3.79Å; M179-L202 HydrophobicContact CG-CG 4.39Å
180	T	98.4	Very high	97.6	Very high	29 Å²	29	50.4 Å²	50.4	18%	0.178	27%	0.273	C	S	.	.			trans	-78.7	165.8	174.2	63.8	0	0	0	0	111.7	L174 P175 Q182 E183 A184	L174-T180 HydrophobicContact CD2-CG2 3.71Å; P175-T180 HydrophobicContact CG-CG2 4.09Å; T180-Q182 PolarHBondContact O-N 3.2Å; T180-E183 PolarHBondContact N-OE2 2.71Å; T180-E183 PolarHBondContact O-N 2.96Å; T180-E183 WeakPolarHBondContact OG1-CG 3.42Å; T180-E183 PolarHBondContact OG1-N 2.86Å; T180-E183 PolarHBondContact OG1-OE2 2.86Å; T180-A184 WeakPolarHBondContact O-CB 3.44Å; T180-A184 PolarHBondContact O-N 2.83Å
181	S	97.4	Very high	97.6	Very high	111 Å²	111	50.2 Å²	50.2	78%	0.776	27%	0.274	S	S	*	.	H	α-helix	trans	-60.6	-31.8	173.6	-52	0	0	0	0	112.9	A185	S181-A185 PolarHBondContact O-N 3.39Å; S181-A185 VanDerWaalsContact O-N 3.13Å
182	Q	97.4	Very high	97.4	Very high	93 Å²	93	53.6 Å²	53.6	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-72.6	-41	177.6	-170.4	177.9	-2.5	0	0	111.6	T180 A185 C186 Y246 H250	T180-Q182 PolarHBondContact O-N 3.2Å; Q182-A185 PolarHBondContact O-N 2.81Å; Q182-C186 PolarHBondContact O-N 2.86Å; Q182-C186 PolarHBondContact O-SG 2.83Å; Q182-Y246 HydrophobicContact CG-CE2 4.24Å; Q182-Y246 WeakPolarHBondContact CG-OH 3.31Å; Q182-H250 PolarHBondContact NE2-CE1 3.14Å; Q182-H250 VanDerWaalsContact NE2-CG 3.28Å; Q182-H250 PolarHBondContact NE2-ND1 3.19Å
183	E	98.5	Very high	97.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.9	172	-69.3	164.8	142.6	0	0	110.4	M179 T180 A185 C186 F187 F201 R205 Y246	M179-E183 WeakPolarHBondContact CA-OE2 3.26Å; M179-E183 HydrophobicContact CB-CB 4.43Å; M179-E183 HydrophobicContact CE-CB 4.13Å; T180-E183 PolarHBondContact N-OE2 2.71Å; T180-E183 PolarHBondContact O-N 2.96Å; T180-E183 WeakPolarHBondContact OG1-CG 3.42Å; T180-E183 PolarHBondContact OG1-N 2.86Å; T180-E183 PolarHBondContact OG1-OE2 2.86Å; E183-A185 VanDerWaalsContact C-N 3.29Å; E183-A185 PolarHBondContact O-N 2.82Å; E183-C186 PolarHBondContact O-N 2.94Å; E183-F187 WeakPolarHBondContact O-CD2 3.23Å; E183-F187 PolarHBondContact O-N 2.91Å; E183-F201 HydrophobicContact CB-CE1 4.31Å; E183-F201 HydrophobicContact CB-CZ 4.08Å; E183-F201 HydrophobicContact CG-CE1 4.26Å; E183-F201 HydrophobicContact CG-CZ 3.98Å; E183-R205 VanDerWaalsContact OE1-CD 3.31Å; E183-R205 WeakPolarHBondContact OE1-CD 3.18Å; E183-R205 WeakPolarHBondContact OE1-CG 3.37Å; E183-R205 IonicContact OE1-CZ 2.66Å; E183-R205 IonicContact OE1-NE 2.69Å; E183-R205 IonicContact OE1-NH1 2.66Å; E183-R205 PolarHBondContact OE1-NH1 2.83Å; E183-R205 IonicContact OE2-NH1 3Å; E183-R205 PolarHBondContact OE2-NH1 2.89Å; E183-R205 VanDerWaalsContact OE2-NH1 3.15Å; E183-Y246 HydrophobicContact CG-CE1 3.74Å; E183-Y246 WeakPolarHBondContact CG-OH 3.4Å
184	A	97.2	Very high	97.1	Very high	23 Å²	23	55.9 Å²	55.9	19%	0.19	33%	0.328	C	S	.	.	H	α-helix	trans	-56.2	-40.9	177.5	0	0	0	0	0	112.9	T180 C186 F187 P188 I191	T180-A184 WeakPolarHBondContact O-CB 3.44Å; T180-A184 PolarHBondContact O-N 2.83Å; A184-C186 VanDerWaalsContact C-N 3.3Å; A184-C186 PolarHBondContact O-N 3.14Å; A184-F187 CarbonylContact O-C 3.55Å; A184-P188 WeakPolarHBondContact O-CA 3.44Å; A184-I191 HydrophobicContact CB-CD1 3.47Å; A184-I191 VanDerWaalsContact CB-CD1 3.47Å; A184-I191 HydrophobicContact CB-CG2 4.12Å
185	A	96.4	Very high	97	Very high	76 Å²	76	60.9 Å²	60.9	63%	0.628	35%	0.35	S	S	*	.	H	α-helix	trans	-66.5	-30.5	177.7	0	0	0	0	0	113.1	S181 Q182 E183	S181-A185 PolarHBondContact O-N 3.39Å; S181-A185 VanDerWaalsContact O-N 3.13Å; Q182-A185 PolarHBondContact O-N 2.81Å; E183-A185 VanDerWaalsContact C-N 3.29Å; E183-A185 PolarHBondContact O-N 2.82Å
186	C	97.3	Very high	96.9	Very high	13 Å²	13	65.1 Å²	65.1	9%	0.088	37%	0.367	C	S	.	.	H	α-helix	trans	-93.7	-23.3	-177.2	-57.1	0	0	0	0	113.2	Q182 E183 A184 Y246 Y831 T832	Q182-C186 PolarHBondContact O-N 2.86Å; Q182-C186 PolarHBondContact O-SG 2.83Å; E183-C186 PolarHBondContact O-N 2.94Å; A184-C186 VanDerWaalsContact C-N 3.3Å; A184-C186 PolarHBondContact O-N 3.14Å; C186-Y246 HydrophobicContact CB-CD2 3.95Å; C186-Y246 HydrophobicContact CB-CE2 4.16Å; C186-Y831 HydrophobicContact CB-CD2 4.15Å; C186-Y831 HydrophobicContact CB-CE2 3.9Å; C186-T832 HydrophobicContact CB-CG2 4.26Å
187	F	97.6	Very high	96.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.362	C	S	.	.			trans	-128.6	53.8	-178	-58.3	-90.6	0	0	0	111.3	M179 E183 A184 D189 I190 I191 F201 R242 V243 Y246	M179-F187 HydrophobicContact CE-CB 3.91Å; E183-F187 WeakPolarHBondContact O-CD2 3.23Å; E183-F187 PolarHBondContact O-N 2.91Å; A184-F187 CarbonylContact O-C 3.55Å; F187-D189 PolarHBondContact O-N 2.93Å; F187-I190 HydrophobicContact CB-CB 4.12Å; F187-I190 HydrophobicContact CB-CD1 3.97Å; F187-I190 HydrophobicContact CB-CG1 4.12Å; F187-I190 HydrophobicContact CD1-CD1 3.66Å; F187-I190 HydrophobicContact CG-CD1 4.17Å; F187-I190 PolarHBondContact O-N 3.45Å; F187-I191 PolarHBondContact O-N 3.26Å; F187-F201 HydrophobicContact CB-CE2 4.41Å; F187-F201 HydrophobicContact CD1-CD2 4.23Å; F187-F201 AromaticContact CD1-CE2 3.81Å; F187-F201 HydrophobicContact CD1-CE2 3.81Å; F187-F201 AromaticContact CD2-CE2 3.6Å; F187-F201 HydrophobicContact CD2-CE2 3.6Å; F187-F201 AromaticContact CD2-CZ 3.92Å; F187-F201 HydrophobicContact CD2-CZ 3.92Å; F187-F201 HydrophobicContact CE1-CD2 4.44Å; F187-F201 AromaticContact CE1-CE2 3.87Å; F187-F201 HydrophobicContact CE1-CE2 3.87Å; F187-F201 AromaticContact CE2-CE2 3.7Å; F187-F201 HydrophobicContact CE2-CE2 3.7Å; F187-F201 HydrophobicContact CE2-CZ 4.09Å; F187-F201 HydrophobicContact CG-CD2 4.35Å; F187-F201 AromaticContact CG-CE2 3.68Å; F187-F201 HydrophobicContact CG-CE2 3.68Å; F187-F201 HydrophobicContact CG-CZ 4.35Å; F187-F201 AromaticContact CZ-CE2 3.85Å; F187-F201 HydrophobicContact CZ-CE2 3.85Å; F187-R242 VanDerWaalsContact CD1-NH2 3.31Å; F187-R242 HydrophobicContact CE1-CB 3.62Å; F187-R242 HydrophobicContact CZ-CB 4.2Å; F187-V243 HydrophobicContact CE1-CG2 4.29Å; F187-V243 HydrophobicContact CZ-CG2 4.37Å; F187-Y246 HydrophobicContact CE2-CD1 4.1Å; F187-Y246 AromaticContact CE2-CD2 3.87Å; F187-Y246 HydrophobicContact CE2-CD2 3.87Å; F187-Y246 AromaticContact CE2-CG 3.64Å; F187-Y246 HydrophobicContact CE2-CG 3.64Å; F187-Y246 HydrophobicContact CZ-CG 4.14Å
188	P	96.8	Very high	96.9	Very high	64 Å²	64	59.5 Å²	59.5	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-33.8	-177.7	26.1	-34.7	0	0	0	111.5	A184 I190 S192	A184-P188 WeakPolarHBondContact O-CA 3.44Å; P188-I190 PolarHBondContact O-N 3.06Å; P188-S192 WeakPolarHBondContact O-CB 3.39Å; P188-S192 PolarHBondContact O-N 3.41Å; P188-S192 VanDerWaalsContact O-N 3.08Å; P188-S192 PolarHBondContact O-OG 2.84Å
189	D	95.5	Very high	96.9	Very high	50 Å²	50	57.6 Å²	57.6	27%	0.267	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-27.2	176.5	59.8	-52.3	0	0	0	113.6	F187 R242	F187-D189 PolarHBondContact O-N 2.93Å; D189-R242 IonicContact OD1-CZ 3.36Å; D189-R242 IonicContact OD1-NH1 3.8Å; D189-R242 IonicContact OD1-NH2 2.84Å; D189-R242 PolarHBondContact OD1-NH2 3.08Å; D189-R242 IonicContact OD2-CZ 3.69Å; D189-R242 IonicContact OD2-NH1 3.91Å; D189-R242 PolarHBondContact OD2-NH1 3.32Å; D189-R242 IonicContact OD2-NH2 2.93Å
190	I	96.8	Very high	96.8	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-87.5	-48.9	-179.7	-58.9	-176.2	0	0	0	110.6	M179 F187 P188 S192 G193 T197 Q198 F201 L239	M179-I190 HydrophobicContact CE-CB 4.28Å; M179-I190 HydrophobicContact CE-CG2 4.15Å; M179-I190 HydrophobicContact SD-CG2 3.88Å; F187-I190 HydrophobicContact CB-CB 4.12Å; F187-I190 HydrophobicContact CB-CD1 3.97Å; F187-I190 HydrophobicContact CB-CG1 4.12Å; F187-I190 HydrophobicContact CD1-CD1 3.66Å; F187-I190 HydrophobicContact CG-CD1 4.17Å; F187-I190 PolarHBondContact O-N 3.45Å; P188-I190 PolarHBondContact O-N 3.06Å; I190-S192 PolarHBondContact O-N 2.85Å; I190-G193 WeakPolarHBondContact O-CA 3.14Å; I190-G193 PolarHBondContact O-N 2.75Å; I190-T197 HydrophobicContact CG2-CG2 4.24Å; I190-Q198 HydrophobicContact CG2-CG 4.22Å; I190-Q198 WeakPolarHBondContact O-CG 3.45Å; I190-F201 HydrophobicContact CD1-CB 4.18Å; I190-F201 HydrophobicContact CD1-CD2 3.62Å; I190-F201 HydrophobicContact CD1-CE2 4.41Å; I190-F201 HydrophobicContact CD1-CG 4.19Å; I190-F201 HydrophobicContact CG2-CB 3.87Å; I190-F201 HydrophobicContact CG2-CG 4.23Å; I190-L239 HydrophobicContact CD1-CD1 3.38Å
191	I	96.6	Very high	96.8	Very high	64 Å²	64	57.1 Å²	57.1	33%	0.328	33%	0.334	S	S	.	.	H	α-helix	trans	-70.4	-31.7	-175.6	-163.3	168.8	0	0	0	112.6	M179 A184 F187 Q198	M179-I191 HydrophobicContact CB-CD1 4.06Å; M179-I191 HydrophobicContact CE-CB 4.15Å; M179-I191 HydrophobicContact SD-CB 3.89Å; M179-I191 HydrophobicContact SD-CG1 4.18Å; A184-I191 HydrophobicContact CB-CD1 3.47Å; A184-I191 VanDerWaalsContact CB-CD1 3.47Å; A184-I191 HydrophobicContact CB-CG2 4.12Å; F187-I191 PolarHBondContact O-N 3.26Å; I191-Q198 PolarHBondContact O-NE2 3.35Å
192	S	95.1	Very high	96.9	Very high	104 Å²	104	52.4 Å²	52.4	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7	171.3	74.3	0	0	0	0	113	P188 I190	P188-S192 WeakPolarHBondContact O-CB 3.39Å; P188-S192 PolarHBondContact O-N 3.41Å; P188-S192 VanDerWaalsContact O-N 3.08Å; P188-S192 PolarHBondContact O-OG 2.84Å; I190-S192 PolarHBondContact O-N 2.85Å
193	G	94	Very high	97	Very high	22 Å²	22	50.5 Å²	50.5	23%	0.227	29%	0.289	C	S	.	.	S	Bend	trans	-91	-173.1	-177.3	0	0	0	0	0	113.9	I190 Q198	I190-G193 WeakPolarHBondContact O-CA 3.14Å; I190-G193 PolarHBondContact O-N 2.75Å; G193-Q198 PolarHBondContact O-NE2 2.66Å; G193-Q198 VanDerWaalsContact O-NE2 3.13Å
194	P	96.5	Very high	97	Very high	91 Å²	91	50.5 Å²	50.5	59%	0.591	29%	0.289	S	S	*	.			trans	-61.3	144.9	-179.1	-22.2	33.1	0	0	0	113.4	Q196 T197 Q198	P194-Q196 PolarHBondContact O-N 2.83Å; P194-Q196 VanDerWaalsContact O-N 3.13Å; P194-T197 WeakPolarHBondContact O-CB 3.26Å; P194-T197 PolarHBondContact O-N 2.8Å; P194-Q198 PolarHBondContact O-N 3.14Å
195	Q	96.6	Very high	97	Very high	129 Å²	129	49.4 Å²	49.4	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-53.1	-34.8	177	-76.6	-67.8	-25.1	0	0	113.5	T197 Q198 K199	Q195-T197 VanDerWaalsContact C-N 3.34Å; Q195-T197 PolarHBondContact O-N 2.89Å; Q195-Q198 WeakPolarHBondContact O-CB 3.43Å; Q195-Q198 PolarHBondContact O-N 3.31Å; Q195-K199 PolarHBondContact O-N 2.68Å
196	Q	96.1	Very high	97.1	Very high	128 Å²	128	46.2 Å²	46.2	60%	0.598	25%	0.253	S	S	*	.	H	α-helix	trans	-62.5	-39.8	177.1	-173.8	59.7	28	0	0	112.3	P194 Q198 K199 V200	P194-Q196 PolarHBondContact O-N 2.83Å; P194-Q196 VanDerWaalsContact O-N 3.13Å; Q196-Q198 VanDerWaalsContact C-N 3.35Å; Q196-K199 PolarHBondContact O-N 3.26Å; Q196-V200 WeakPolarHBondContact O-CG2 3.45Å; Q196-V200 PolarHBondContact O-N 3.08Å; Q196-V200 VanDerWaalsContact O-N 3.1Å
197	T	95.8	Very high	97.2	Very high	37 Å²	37	48.4 Å²	48.4	23%	0.227	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-37.5	177.5	-49.8	0	0	0	0	111	I190 P194 Q195 V200 F201	I190-T197 HydrophobicContact CG2-CG2 4.24Å; P194-T197 WeakPolarHBondContact O-CB 3.26Å; P194-T197 PolarHBondContact O-N 2.8Å; Q195-T197 VanDerWaalsContact C-N 3.34Å; Q195-T197 PolarHBondContact O-N 2.89Å; T197-V200 PolarHBondContact O-N 3.22Å; T197-F201 PolarHBondContact O-N 3.22Å
198	Q	97.6	Very high	97.3	Very high	28 Å²	28	48.4 Å²	48.4	13%	0.131	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-46.6	174.1	-59.6	179.3	28.8	0	0	110.5	M179 I190 I191 G193 P194 Q195 Q196 V200 F201 L202	M179-Q198 HydrophobicContact SD-CB 4.49Å; M179-Q198 HydrophobicContact SD-CG 4.28Å; I190-Q198 HydrophobicContact CG2-CG 4.22Å; I190-Q198 WeakPolarHBondContact O-CG 3.45Å; I191-Q198 PolarHBondContact O-NE2 3.35Å; G193-Q198 PolarHBondContact O-NE2 2.66Å; G193-Q198 VanDerWaalsContact O-NE2 3.13Å; P194-Q198 PolarHBondContact O-N 3.14Å; Q195-Q198 WeakPolarHBondContact O-CB 3.43Å; Q195-Q198 PolarHBondContact O-N 3.31Å; Q196-Q198 VanDerWaalsContact C-N 3.35Å; Q198-V200 VanDerWaalsContact C-N 3.32Å; Q198-V200 PolarHBondContact O-N 3.44Å; Q198-F201 WeakPolarHBondContact O-CB 3.14Å; Q198-F201 PolarHBondContact O-N 2.99Å; Q198-F201 VanDerWaalsContact O-N 3.17Å; Q198-L202 WeakPolarHBondContact O-CG 3.45Å; Q198-L202 PolarHBondContact O-N 2.7Å
199	K	97.8	Very high	97.4	Very high	129 Å²	129	45.3 Å²	45.3	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-58.9	-40	175.3	-71.1	-176.9	178.4	-174.3	0	113.1	Q195 Q196 L202 Y203	Q195-K199 PolarHBondContact O-N 2.68Å; Q196-K199 PolarHBondContact O-N 3.26Å; K199-L202 PolarHBondContact O-N 2.67Å; K199-Y203 WeakPolarHBondContact O-CB 3.38Å; K199-Y203 PolarHBondContact O-N 3.32Å
200	V	98.1	Very high	97.5	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-46.1	175	170.8	0	0	0	0	111.1	Q196 T197 Q198 Y203 I204 Y233 L239	Q196-V200 WeakPolarHBondContact O-CG2 3.45Å; Q196-V200 PolarHBondContact O-N 3.08Å; Q196-V200 VanDerWaalsContact O-N 3.1Å; T197-V200 PolarHBondContact O-N 3.22Å; Q198-V200 VanDerWaalsContact C-N 3.32Å; Q198-V200 PolarHBondContact O-N 3.44Å; V200-Y203 PolarHBondContact O-N 3.48Å; V200-I204 HydrophobicContact CG1-CD1 3.85Å; V200-I204 VanDerWaalsContact O-CG1 3.31Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å; V200-I204 PolarHBondContact O-N 3.25Å; V200-Y233 HydrophobicContact CG1-CD1 4.19Å; V200-Y233 HydrophobicContact CG2-CD1 4.41Å; V200-Y233 HydrophobicContact CG2-CE1 4.27Å; V200-L239 HydrophobicContact CG1-CD2 4Å
201	F	98.5	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-50.8	174.6	168.5	-87.6	0	0	0	111.8	M179 E183 F187 I190 T197 Q198 Y203 I204 R205 L239 V243	M179-F201 HydrophobicContact CE-CD1 3.88Å; M179-F201 HydrophobicContact CE-CE1 3.73Å; M179-F201 HydrophobicContact CE-CE2 4.4Å; M179-F201 HydrophobicContact CE-CG 4.33Å; M179-F201 HydrophobicContact CE-CZ 4Å; M179-F201 HydrophobicContact CG-CD1 3.89Å; M179-F201 HydrophobicContact CG-CE1 3.93Å; M179-F201 HydrophobicContact SD-CD1 4.01Å; M179-F201 HydrophobicContact SD-CE1 4.3Å; E183-F201 HydrophobicContact CB-CE1 4.31Å; E183-F201 HydrophobicContact CB-CZ 4.08Å; E183-F201 HydrophobicContact CG-CE1 4.26Å; E183-F201 HydrophobicContact CG-CZ 3.98Å; F187-F201 HydrophobicContact CB-CE2 4.41Å; F187-F201 HydrophobicContact CD1-CD2 4.23Å; F187-F201 AromaticContact CD1-CE2 3.81Å; F187-F201 HydrophobicContact CD1-CE2 3.81Å; F187-F201 AromaticContact CD2-CE2 3.6Å; F187-F201 HydrophobicContact CD2-CE2 3.6Å; F187-F201 AromaticContact CD2-CZ 3.92Å; F187-F201 HydrophobicContact CD2-CZ 3.92Å; F187-F201 HydrophobicContact CE1-CD2 4.44Å; F187-F201 AromaticContact CE1-CE2 3.87Å; F187-F201 HydrophobicContact CE1-CE2 3.87Å; F187-F201 AromaticContact CE2-CE2 3.7Å; F187-F201 HydrophobicContact CE2-CE2 3.7Å; F187-F201 HydrophobicContact CE2-CZ 4.09Å; F187-F201 HydrophobicContact CG-CD2 4.35Å; F187-F201 AromaticContact CG-CE2 3.68Å; F187-F201 HydrophobicContact CG-CE2 3.68Å; F187-F201 HydrophobicContact CG-CZ 4.35Å; F187-F201 AromaticContact CZ-CE2 3.85Å; F187-F201 HydrophobicContact CZ-CE2 3.85Å; I190-F201 HydrophobicContact CD1-CB 4.18Å; I190-F201 HydrophobicContact CD1-CD2 3.62Å; I190-F201 HydrophobicContact CD1-CE2 4.41Å; I190-F201 HydrophobicContact CD1-CG 4.19Å; I190-F201 HydrophobicContact CG2-CB 3.87Å; I190-F201 HydrophobicContact CG2-CG 4.23Å; T197-F201 PolarHBondContact O-N 3.22Å; Q198-F201 WeakPolarHBondContact O-CB 3.14Å; Q198-F201 PolarHBondContact O-N 2.99Å; Q198-F201 VanDerWaalsContact O-N 3.17Å; F201-Y203 VanDerWaalsContact C-N 3.3Å; F201-Y203 PolarHBondContact O-N 3.18Å; F201-I204 PolarHBondContact O-N 3.18Å; F201-R205 HydrophobicContact CE1-CB 4.38Å; F201-R205 HydrophobicContact CE1-CG 4.41Å; F201-R205 VanDerWaalsContact O-CB 3.25Å; F201-R205 WeakPolarHBondContact O-CB 3.24Å; F201-R205 PolarHBondContact O-N 2.87Å; F201-L239 HydrophobicContact CD2-CD1 4.3Å; F201-V243 HydrophobicContact CD2-CG2 3.61Å; F201-V243 HydrophobicContact CE2-CG2 3.63Å
202	L	98.6	Very high	97.7	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-40.4	-177.7	-64.7	166.9	0	0	0	111.1	D177 R178 M179 Q198 K199 R205 N206	D177-L202 VanDerWaalsContact O-CD1 3.31Å; D177-L202 WeakPolarHBondContact O-CD1 3.4Å; R178-L202 VanDerWaalsContact C-CD2 3.45Å; R178-L202 WeakPolarHBondContact O-CD2 3.23Å; M179-L202 HydrophobicContact CG-CD2 3.79Å; M179-L202 HydrophobicContact CG-CG 4.39Å; Q198-L202 WeakPolarHBondContact O-CG 3.45Å; Q198-L202 PolarHBondContact O-N 2.7Å; K199-L202 PolarHBondContact O-N 2.67Å; L202-R205 VanDerWaalsContact CD2-CZ 3.47Å; L202-R205 PolarHBondContact O-N 3.3Å; L202-N206 WeakPolarHBondContact O-CB 3.25Å; L202-N206 PolarHBondContact O-N 2.84Å; L202-N206 PolarHBondContact O-ND2 2.69Å; L202-N206 PolarHBondContact O-OD1 3.39Å
203	Y	98.6	Very high	97.9	Very high	54 Å²	54	37.9 Å²	37.9	21%	0.212	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-52.1	173.8	179.9	-84.7	0	0	0	111.8	L165 K199 V200 F201 R205 N206 R207 L229 Y233	L165-Y203 HydrophobicContact CD1-CD2 3.63Å; L165-Y203 HydrophobicContact CD1-CE2 3.45Å; L165-Y203 VanDerWaalsContact CD1-CE2 3.45Å; K199-Y203 WeakPolarHBondContact O-CB 3.38Å; K199-Y203 PolarHBondContact O-N 3.32Å; V200-Y203 PolarHBondContact O-N 3.48Å; F201-Y203 VanDerWaalsContact C-N 3.3Å; F201-Y203 PolarHBondContact O-N 3.18Å; Y203-R205 VanDerWaalsContact C-N 3.26Å; Y203-R205 PolarHBondContact O-N 2.74Å; Y203-N206 PolarHBondContact O-N 2.88Å; Y203-R207 HydrophobicContact CD1-CB 4.5Å; Y203-R207 HydrophobicContact CE1-CB 4.22Å; Y203-R207 HydrophobicContact CE1-CG 4.42Å; Y203-R207 VanDerWaalsContact O-CB 3.23Å; Y203-R207 WeakPolarHBondContact O-CB 3.29Å; Y203-R207 PolarHBondContact O-N 3.47Å; Y203-L229 HydrophobicContact CD1-CD2 4.49Å; Y203-L229 HydrophobicContact CE1-CD2 3.98Å; Y203-Y233 AromaticContact CD1-CD1 3.34Å; Y203-Y233 HydrophobicContact CD1-CD1 3.34Å; Y203-Y233 AromaticContact CD1-CD2 3.62Å; Y203-Y233 HydrophobicContact CD1-CD2 3.62Å; Y203-Y233 AromaticContact CD1-CE1 3.72Å; Y203-Y233 HydrophobicContact CD1-CE1 3.72Å; Y203-Y233 AromaticContact CD1-CE2 3.97Å; Y203-Y233 HydrophobicContact CD1-CE2 3.97Å; Y203-Y233 AromaticContact CD1-CG 3.28Å; Y203-Y233 HydrophobicContact CD1-CG 3.28Å; Y203-Y233 HydrophobicContact CD2-CE1 4.17Å; Y203-Y233 HydrophobicContact CD2-CE2 4.15Å; Y203-Y233 AromaticContact CD2-CZ 3.92Å; Y203-Y233 AromaticContact CE1-CD1 3.98Å; Y203-Y233 HydrophobicContact CE1-CD1 3.98Å; Y203-Y233 AromaticContact CE1-CD2 3.32Å; Y203-Y233 HydrophobicContact CE1-CD2 3.32Å; Y203-Y233 HydrophobicContact CE1-CE1 4.39Å; Y203-Y233 AromaticContact CE1-CE2 3.8Å; Y203-Y233 HydrophobicContact CE1-CE2 3.8Å; Y203-Y233 AromaticContact CE1-CG 3.42Å; Y203-Y233 HydrophobicContact CE1-CG 3.42Å; Y203-Y233 VanDerWaalsContact CE1-CG 3.42Å; Y203-Y233 HydrophobicContact CE2-CD2 4.34Å; Y203-Y233 AromaticContact CE2-CE2 3.97Å; Y203-Y233 HydrophobicContact CE2-CE2 3.97Å; Y203-Y233 AromaticContact CG-CD1 3.72Å; Y203-Y233 HydrophobicContact CG-CD1 3.72Å; Y203-Y233 HydrophobicContact CG-CD2 4.26Å; Y203-Y233 AromaticContact CG-CE1 3.6Å; Y203-Y233 HydrophobicContact CG-CE1 3.6Å; Y203-Y233 HydrophobicContact CG-CE2 4.15Å; Y203-Y233 HydrophobicContact CG-CG 4.05Å; Y203-Y233 AromaticContact CG-CZ 3.82Å; Y203-Y233 AromaticContact CZ-CD2 3.73Å; Y203-Y233 AromaticContact CZ-CE2 3.8Å
204	I	98.8	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-43.3	-179.9	-66.9	165.2	0	0	0	110.1	V200 F201 T208 L229 L239 V240 V243	V200-I204 HydrophobicContact CG1-CD1 3.85Å; V200-I204 VanDerWaalsContact O-CG1 3.31Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å; V200-I204 PolarHBondContact O-N 3.25Å; F201-I204 PolarHBondContact O-N 3.18Å; I204-T208 VanDerWaalsContact O-CB 3.26Å; I204-T208 WeakPolarHBondContact O-CB 3.48Å; I204-T208 PolarHBondContact O-N 3.16Å; I204-T208 PolarHBondContact O-OG1 3.3Å; I204-L229 HydrophobicContact CG2-CD1 4.28Å; I204-L239 HydrophobicContact CD1-CD2 3.77Å; I204-L239 HydrophobicContact CD1-CG 3.95Å; I204-V240 HydrophobicContact CD1-CG2 3.94Å; I204-V240 HydrophobicContact CG1-CG2 4.39Å; I204-V240 HydrophobicContact CG2-CB 4.45Å; I204-V240 HydrophobicContact CG2-CG1 4.4Å; I204-V240 HydrophobicContact CG2-CG2 4.12Å; I204-V243 HydrophobicContact CG2-CB 3.94Å; I204-V243 HydrophobicContact CG2-CG1 3.89Å; I204-V243 HydrophobicContact CG2-CG2 4.14Å
205	R	98.8	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-54	178.1	-177.6	-93.9	-41.8	-126.9	24.6	111.5	P175 H176 E183 F201 L202 Y203 R207 T208 I209 V243 L247	P175-R205 PolarHBondContact O-NH1 3.44Å; P175-R205 PolarHBondContact O-NH2 2.7Å; H176-R205 PolarHBondContact O-NH2 3.46Å; H176-R205 VanDerWaalsContact O-NH2 3.09Å; E183-R205 VanDerWaalsContact OE1-CD 3.31Å; E183-R205 WeakPolarHBondContact OE1-CD 3.18Å; E183-R205 WeakPolarHBondContact OE1-CG 3.37Å; E183-R205 IonicContact OE1-CZ 2.66Å; E183-R205 IonicContact OE1-NE 2.69Å; E183-R205 IonicContact OE1-NH1 2.66Å; E183-R205 PolarHBondContact OE1-NH1 2.83Å; E183-R205 IonicContact OE2-NH1 3Å; E183-R205 PolarHBondContact OE2-NH1 2.89Å; E183-R205 VanDerWaalsContact OE2-NH1 3.15Å; F201-R205 HydrophobicContact CE1-CB 4.38Å; F201-R205 HydrophobicContact CE1-CG 4.41Å; F201-R205 VanDerWaalsContact O-CB 3.25Å; F201-R205 WeakPolarHBondContact O-CB 3.24Å; F201-R205 PolarHBondContact O-N 2.87Å; L202-R205 VanDerWaalsContact CD2-CZ 3.47Å; L202-R205 PolarHBondContact O-N 3.3Å; Y203-R205 VanDerWaalsContact C-N 3.26Å; Y203-R205 PolarHBondContact O-N 2.74Å; R205-R207 PolarHBondContact O-N 2.82Å; R205-T208 PolarHBondContact O-N 3.38Å; R205-I209 HydrophobicContact CG-CD1 4.43Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3.29Å; R205-I209 PolarHBondContact O-N 3.25Å; R205-V243 HydrophobicContact CB-CG1 3.95Å; R205-L247 HydrophobicContact CG-CD2 4.22Å
206	N	98.8	Very high	98.2	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-42.6	179.4	-63.2	-5.5	0	0	0	111.6	L165 H176 L202 Y203 I209 Q210	L165-N206 HydrophobicContact CB-CB 4.07Å; L165-N206 HydrophobicContact CD2-CB 4.26Å; H176-N206 PolarHBondContact O-ND2 3.42Å; L202-N206 WeakPolarHBondContact O-CB 3.25Å; L202-N206 PolarHBondContact O-N 2.84Å; L202-N206 PolarHBondContact O-ND2 2.69Å; L202-N206 PolarHBondContact O-OD1 3.39Å; Y203-N206 PolarHBondContact O-N 2.88Å; N206-I209 PolarHBondContact O-N 3.37Å; N206-Q210 WeakPolarHBondContact O-CB 3.23Å; N206-Q210 PolarHBondContact O-N 2.84Å
207	R	98.7	Very high	98.4	Very high	58 Å²	58	35.1 Å²	35.1	22%	0.219	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-42	-180	-176.8	57.1	177.1	157.9	1.7	111.7	L165 Y203 R205 I209 Q210 L211 L229	L165-R207 HydrophobicContact CD2-CB 3.76Å; L165-R207 HydrophobicContact CD2-CG 4.39Å; Y203-R207 HydrophobicContact CD1-CB 4.5Å; Y203-R207 HydrophobicContact CE1-CB 4.22Å; Y203-R207 HydrophobicContact CE1-CG 4.42Å; Y203-R207 VanDerWaalsContact O-CB 3.23Å; Y203-R207 WeakPolarHBondContact O-CB 3.29Å; Y203-R207 PolarHBondContact O-N 3.47Å; R205-R207 PolarHBondContact O-N 2.82Å; R207-I209 VanDerWaalsContact C-N 3.32Å; R207-I209 PolarHBondContact O-N 3.02Å; R207-Q210 WeakPolarHBondContact O-CB 3.34Å; R207-Q210 PolarHBondContact O-N 3.34Å; R207-L211 VanDerWaalsContact O-CG 3.3Å; R207-L211 WeakPolarHBondContact O-CG 3.44Å; R207-L211 PolarHBondContact O-N 2.85Å; R207-L229 HydrophobicContact CB-CD2 4.04Å; R207-L229 HydrophobicContact CG-CD2 3.65Å
208	T	98.9	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-41.4	176.8	-56.6	0	0	0	0	111.3	I204 R205 L211 W212 L220 T225 L247 I253	I204-T208 VanDerWaalsContact O-CB 3.26Å; I204-T208 WeakPolarHBondContact O-CB 3.48Å; I204-T208 PolarHBondContact O-N 3.16Å; I204-T208 PolarHBondContact O-OG1 3.3Å; R205-T208 PolarHBondContact O-N 3.38Å; T208-L211 PolarHBondContact O-N 3.25Å; T208-W212 PolarHBondContact O-N 3.46Å; T208-L220 HydrophobicContact CG2-CD2 3.9Å; T208-L220 WeakPolarHBondContact O-CD2 3.44Å; T208-T225 HydrophobicContact CG2-CG2 3.86Å; T208-T225 WeakPolarHBondContact OG1-CG2 3.44Å; T208-L247 HydrophobicContact CG2-CD1 3.69Å; T208-I253 HydrophobicContact CG2-CD1 3.96Å
209	I	98.8	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-45.8	174.7	-69.2	170.9	0	0	0	110.8	A168 S172 L174 R205 N206 R207 L211 W212 L213 L247 I253	A168-I209 HydrophobicContact CB-CB 4.43Å; A168-I209 HydrophobicContact CB-CG2 4.02Å; A168-I209 VanDerWaalsContact O-CG2 3.27Å; A168-I209 WeakPolarHBondContact O-CG2 3.26Å; S172-I209 WeakPolarHBondContact OG-CG2 3.44Å; L174-I209 HydrophobicContact CD1-CD1 3.81Å; R205-I209 HydrophobicContact CG-CD1 4.43Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3.29Å; R205-I209 PolarHBondContact O-N 3.25Å; N206-I209 PolarHBondContact O-N 3.37Å; R207-I209 VanDerWaalsContact C-N 3.32Å; R207-I209 PolarHBondContact O-N 3.02Å; I209-L211 VanDerWaalsContact C-N 3.33Å; I209-L211 PolarHBondContact O-N 3.14Å; I209-W212 WeakPolarHBondContact O-CB 3.46Å; I209-W212 PolarHBondContact O-N 2.92Å; I209-W212 VanDerWaalsContact O-N 3.11Å; I209-L213 HydrophobicContact CG2-CD1 3.64Å; I209-L213 HydrophobicContact CG2-CG 4.08Å; I209-L213 WeakPolarHBondContact O-CG 3.43Å; I209-L213 PolarHBondContact O-N 3.33Å; I209-L247 HydrophobicContact CD1-CD2 4.03Å; I209-L247 HydrophobicContact CG1-CD1 3.93Å; I209-L247 HydrophobicContact CG1-CD2 4.1Å; I209-I253 HydrophobicContact CG1-CG2 4.39Å
210	Q	98.7	Very high	98.6	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.154	15%	0.15	C	C	.	.	H	α-helix	trans	-55.2	-49.8	178.5	-169.5	-175.3	25	0	0	111.2	A168 N206 R207 W212 L213 D214	A168-Q210 HydrophobicContact CB-CB 3.63Å; A168-Q210 HydrophobicContact CB-CG 4.2Å; N206-Q210 WeakPolarHBondContact O-CB 3.23Å; N206-Q210 PolarHBondContact O-N 2.84Å; R207-Q210 WeakPolarHBondContact O-CB 3.34Å; R207-Q210 PolarHBondContact O-N 3.34Å; Q210-W212 PolarHBondContact O-N 3.09Å; Q210-L213 PolarHBondContact O-N 3.4Å; Q210-L213 VanDerWaalsContact O-N 3.07Å; Q210-D214 WeakPolarHBondContact O-CB 3.48Å; Q210-D214 PolarHBondContact O-N 3.3Å
211	L	98.6	Very high	98.6	Very high	16 Å²	16	30 Å²	30	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-55.5	-37.4	178.3	-68.1	177.1	0	0	0	112.9	R207 T208 I209 L220 Q228	R207-L211 VanDerWaalsContact O-CG 3.3Å; R207-L211 WeakPolarHBondContact O-CG 3.44Å; R207-L211 PolarHBondContact O-N 2.85Å; T208-L211 PolarHBondContact O-N 3.25Å; I209-L211 VanDerWaalsContact C-N 3.33Å; I209-L211 PolarHBondContact O-N 3.14Å; L211-L220 HydrophobicContact CB-CD1 4.14Å; L211-L220 HydrophobicContact CB-CD2 3.92Å; L211-Q228 HydrophobicContact CD1-CB 3.8Å; L211-Q228 HydrophobicContact CD2-CB 4.15Å
212	W	98.8	Very high	98.6	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-72.3	-44.6	175.8	164.6	-107.7	0	0	0	112.3	T208 I209 Q210 D214 N215 P216 I218 L220 I253 N254 F255 Y258 V335	T208-W212 PolarHBondContact O-N 3.46Å; I209-W212 WeakPolarHBondContact O-CB 3.46Å; I209-W212 PolarHBondContact O-N 2.92Å; I209-W212 VanDerWaalsContact O-N 3.11Å; Q210-W212 PolarHBondContact O-N 3.09Å; W212-D214 VanDerWaalsContact C-N 3.29Å; W212-D214 PolarHBondContact O-N 2.93Å; W212-N215 CarbonylContact O-C 3.11Å; W212-N215 PolarHBondContact O-N 2.84Å; W212-P216 HydrophobicContact CD2-CB 4.41Å; W212-P216 HydrophobicContact CH2-CB 4.17Å; W212-P216 WeakPolarHBondContact CH2-O 3.41Å; W212-P216 HydrophobicContact CZ2-CB 3.85Å; W212-P216 VanDerWaalsContact O-CA 3.31Å; W212-P216 WeakPolarHBondContact O-CA 3.41Å; W212-P216 WeakPolarHBondContact O-CD 3.42Å; W212-I218 VanDerWaalsContact CZ3-O 3.23Å; W212-I218 WeakPolarHBondContact CZ3-O 3.49Å; W212-L220 HydrophobicContact CB-CD2 3.89Å; W212-L220 HydrophobicContact CE3-CB 4.28Å; W212-I253 HydrophobicContact CB-CB 3.87Å; W212-I253 HydrophobicContact CB-CG2 3.54Å; W212-I253 HydrophobicContact CD2-CB 4.16Å; W212-I253 HydrophobicContact CG-CB 3.72Å; W212-I253 HydrophobicContact CG-CG2 3.75Å; W212-N254 WeakPolarHBondContact CZ3-OD1 3.46Å; W212-F255 HydrophobicContact CZ2-CD1 4.29Å; W212-F255 WeakPolarHBondContact CZ2-O 3.31Å; W212-F255 AromaticContact NE1-CD1 3.87Å; W212-F255 AromaticContact NE1-CE1 3.62Å; W212-Y258 AromaticContact CH2-CD1 3.85Å; W212-Y258 HydrophobicContact CH2-CD1 3.85Å; W212-Y258 HydrophobicContact CH2-CG 4.06Å; W212-Y258 HydrophobicContact CZ3-CG 4.36Å; W212-V335 HydrophobicContact CZ2-CG1 4.1Å
213	L	98.5	Very high	98.6	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-28.6	-177.7	-67.9	176.8	0	0	0	113.3	A168 Q171 I209 Q210 N215 V335 K338	A168-L213 HydrophobicContact CB-CD1 4.29Å; Q171-L213 HydrophobicContact CB-CD1 3.71Å; Q171-L213 HydrophobicContact CG-CD1 3.78Å; Q171-L213 HydrophobicContact CG-CD2 4.2Å; I209-L213 HydrophobicContact CG2-CD1 3.64Å; I209-L213 HydrophobicContact CG2-CG 4.08Å; I209-L213 WeakPolarHBondContact O-CG 3.43Å; I209-L213 PolarHBondContact O-N 3.33Å; Q210-L213 PolarHBondContact O-N 3.4Å; Q210-L213 VanDerWaalsContact O-N 3.07Å; L213-N215 VanDerWaalsContact C-N 3.33Å; L213-V335 HydrophobicContact CD2-CG2 3.49Å; L213-V335 VanDerWaalsContact CD2-CG2 3.49Å; L213-K338 PolarHBondContact O-NZ 2.85Å
214	D	98.1	Very high	98.6	Very high	109 Å²	109	34 Å²	34	58%	0.583	17%	0.169	S	C	*	.	H	α-helix	trans	-66.3	-36.2	174.3	-69.8	-15.6	0	0	0	111.1	Q210 W212	Q210-D214 WeakPolarHBondContact O-CB 3.48Å; Q210-D214 PolarHBondContact O-N 3.3Å; W212-D214 VanDerWaalsContact C-N 3.29Å; W212-D214 PolarHBondContact O-N 2.93Å
215	N	98.2	Very high	98.5	Very high	72 Å²	72	34 Å²	34	39%	0.385	17%	0.169	S	C	.	.			trans	-143.3	77	176.4	-169.8	3.3	0	0	0	113.5	W212 L213 K217 I218	W212-N215 CarbonylContact O-C 3.11Å; W212-N215 PolarHBondContact O-N 2.84Å; L213-N215 VanDerWaalsContact C-N 3.33Å; N215-K217 PolarHBondContact O-N 3.5Å; N215-K217 VanDerWaalsContact O-N 3.08Å; N215-I218 WeakPolarHBondContact ND2-CD1 3.38Å
216	P	98.6	Very high	98.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.032	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	5.3	-176.4	31.7	-36.5	0	0	0	113.6	W212 V335 K338 Q339	W212-P216 HydrophobicContact CD2-CB 4.41Å; W212-P216 HydrophobicContact CH2-CB 4.17Å; W212-P216 WeakPolarHBondContact CH2-O 3.41Å; W212-P216 HydrophobicContact CZ2-CB 3.85Å; W212-P216 VanDerWaalsContact O-CA 3.31Å; W212-P216 WeakPolarHBondContact O-CA 3.41Å; W212-P216 WeakPolarHBondContact O-CD 3.42Å; P216-V335 HydrophobicContact CB-CG1 3.6Å; P216-V335 HydrophobicContact CG-CG1 4.26Å; P216-K338 HydrophobicContact CG-CB 3.87Å; P216-K338 HydrophobicContact CG-CD 3.85Å; P216-Q339 HydrophobicContact CB-CG 4.44Å; P216-Q339 PolarHBondContact O-NE2 2.98Å
217	K	98.6	Very high	98.4	Very high	125 Å²	125	42.7 Å²	42.7	54%	0.543	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.1	-179.6	-67.7	-179.7	175.9	176.4	0	112.8	N215 Y258 K259 K338	N215-K217 PolarHBondContact O-N 3.5Å; N215-K217 VanDerWaalsContact O-N 3.08Å; K217-Y258 CarbonylContact O-C 3.6Å; K217-Y258 WeakPolarHBondContact O-CA 3.49Å; K217-K259 PolarHBondContact O-N 2.53Å; K217-K338 WeakPolarHBondContact CE-O 2.89Å
218	I	98.6	Very high	98.3	Very high	78 Å²	78	44.3 Å²	44.3	40%	0.4	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-127.4	146.5	179.9	64.7	173.8	0	0	0	109.8	W212 N215 L220 K259	W212-I218 VanDerWaalsContact CZ3-O 3.23Å; W212-I218 WeakPolarHBondContact CZ3-O 3.49Å; N215-I218 WeakPolarHBondContact ND2-CD1 3.38Å; I218-L220 PolarHBondContact O-N 3.49Å; I218-K259 HydrophobicContact CG2-CB 4.41Å
219	Q	98.8	Very high	98.2	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.075	22%	0.222	C	C	.	.			trans	-60.8	126.4	175.2	-172.1	-176.8	11.9	0	0	110.7	T221 Y258 K259 V261	Q219-T221 HydrophobicContact CG-CG2 4.43Å; Q219-T221 PolarHBondContact O-N 2.99Å; Q219-Y258 HydrophobicContact CB-CD2 3.73Å; Q219-Y258 HydrophobicContact CB-CE2 3.84Å; Q219-Y258 HydrophobicContact CG-CD2 4.35Å; Q219-Y258 HydrophobicContact CG-CE2 3.97Å; Q219-K259 PolarHBondContact N-O 3.46Å; Q219-V261 HydrophobicContact CB-CB 4.49Å; Q219-V261 HydrophobicContact CB-CG2 4.18Å; Q219-V261 VanDerWaalsContact OE1-N 3.09Å
220	L	98.8	Very high	98	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	25%	0.254	C	S	.	.			trans	-81.7	105.8	167.9	179.3	62.7	0	0	0	109	T208 L211 W212 I218 A224 H244 I253 N254	T208-L220 HydrophobicContact CG2-CD2 3.9Å; T208-L220 WeakPolarHBondContact O-CD2 3.44Å; L211-L220 HydrophobicContact CB-CD1 4.14Å; L211-L220 HydrophobicContact CB-CD2 3.92Å; W212-L220 HydrophobicContact CB-CD2 3.89Å; W212-L220 HydrophobicContact CE3-CB 4.28Å; I218-L220 PolarHBondContact O-N 3.49Å; L220-A224 HydrophobicContact CD1-CB 4.33Å; L220-H244 PolarHBondContact O-NE2 3.49Å; L220-I253 HydrophobicContact CD2-CD1 4.28Å; L220-N254 PolarHBondContact N-OD1 3.47Å; L220-N254 PolarHBondContact O-ND2 2.91Å
221	T	98.8	Very high	97.8	Very high	15 Å²	15	53.5 Å²	53.5	9%	0.092	28%	0.278	C	S	.	.			trans	-86.3	155.5	177.6	76.9	0	0	0	0	111.6	Q219 E223 A224 T225 V261 K262	Q219-T221 HydrophobicContact CG-CG2 4.43Å; Q219-T221 PolarHBondContact O-N 2.99Å; T221-E223 VanDerWaalsContact CB-OE2 3.29Å; T221-E223 WeakPolarHBondContact CB-OE2 3.39Å; T221-E223 PolarHBondContact O-N 3.43Å; T221-E223 PolarHBondContact OG1-OE2 3.47Å; T221-E223 VanDerWaalsContact OG1-OE2 3.05Å; T221-A224 PolarHBondContact O-N 2.94Å; T221-A224 VanDerWaalsContact O-N 3.12Å; T221-A224 PolarHBondContact OG1-N 2.88Å; T221-T225 PolarHBondContact O-N 2.94Å; T221-T225 PolarHBondContact O-OG1 3.48Å; T221-V261 HydrophobicContact CG2-CB 3.93Å; T221-V261 HydrophobicContact CG2-CG1 4.11Å; T221-V261 HydrophobicContact CG2-CG2 4.41Å; T221-K262 HydrophobicContact CG2-CG 4.47Å
222	F	98.2	Very high	97.7	Very high	45 Å²	45	56.8 Å²	56.8	20%	0.197	30%	0.3	C	S	.	.	H	α-helix	trans	-51.4	-43.5	173.6	161.7	-110.3	0	0	0	112.4	A224 T225 V226 V240 H241 H244	F222-A224 VanDerWaalsContact C-N 3.33Å; F222-A224 PolarHBondContact O-N 3.03Å; F222-T225 WeakPolarHBondContact O-CB 3.38Å; F222-T225 PolarHBondContact O-N 3.4Å; F222-T225 VanDerWaalsContact O-N 3.16Å; F222-V226 HydrophobicContact CD2-CG2 3.81Å; F222-V226 HydrophobicContact CE1-CG2 4.33Å; F222-V226 HydrophobicContact CE2-CG2 3.24Å; F222-V226 HydrophobicContact CZ-CG2 3.56Å; F222-V226 WeakPolarHBondContact O-CG2 3.39Å; F222-V226 PolarHBondContact O-N 2.84Å; F222-V240 HydrophobicContact CD2-CG1 4.34Å; F222-V240 HydrophobicContact CE2-CB 4.32Å; F222-V240 HydrophobicContact CE2-CG1 4.07Å; F222-H241 AromaticContact CD1-CD2 3.94Å; F222-H241 HydrophobicContact CD2-CB 3.88Å; F222-H241 AromaticContact CD2-CD2 3.67Å; F222-H241 VanDerWaalsContact CE2-CA 3.5Å; F222-H241 HydrophobicContact CE2-CB 3.46Å; F222-H241 VanDerWaalsContact CE2-CB 3.46Å; F222-H241 AromaticContact CG-CD2 3.62Å; F222-H241 HydrophobicContact CZ-CB 3.9Å; F222-H244 PolarHBondContact N-NE2 3.05Å
223	E	98	Very high	97.6	Very high	77 Å²	77	59.9 Å²	59.9	36%	0.36	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-42.2	-179.6	-58.9	77.3	-167.1	0	0	111.4	T221 T225 V226 Q227 K262	T221-E223 VanDerWaalsContact CB-OE2 3.29Å; T221-E223 WeakPolarHBondContact CB-OE2 3.39Å; T221-E223 PolarHBondContact O-N 3.43Å; T221-E223 PolarHBondContact OG1-OE2 3.47Å; T221-E223 VanDerWaalsContact OG1-OE2 3.05Å; E223-T225 VanDerWaalsContact C-N 3.33Å; E223-V226 PolarHBondContact O-N 3.41Å; E223-Q227 WeakPolarHBondContact O-CB 3.12Å; E223-Q227 VanDerWaalsContact O-CG 3.23Å; E223-Q227 WeakPolarHBondContact O-CG 3.39Å; E223-Q227 PolarHBondContact O-N 2.64Å; E223-Q227 VanDerWaalsContact O-N 3.12Å; E223-K262 IonicContact OE1-NZ 3.76Å; E223-K262 PolarHBondContact OE1-NZ 2.96Å; E223-K262 VanDerWaalsContact OE2-CE 3.23Å; E223-K262 WeakPolarHBondContact OE2-CE 3.26Å; E223-K262 IonicContact OE2-NZ 3.61Å; E223-K262 PolarHBondContact OE2-NZ 3.18Å
224	A	97.9	Very high	97.4	Very high	27 Å²	27	61.7 Å²	61.7	22%	0.223	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-33.5	176.3	0	0	0	0	0	112.2	L220 T221 F222 Q228	L220-A224 HydrophobicContact CD1-CB 4.33Å; T221-A224 PolarHBondContact O-N 2.94Å; T221-A224 VanDerWaalsContact O-N 3.12Å; T221-A224 PolarHBondContact OG1-N 2.88Å; F222-A224 VanDerWaalsContact C-N 3.33Å; F222-A224 PolarHBondContact O-N 3.03Å; A224-Q228 WeakPolarHBondContact O-CG 3.48Å; A224-Q228 PolarHBondContact O-N 2.97Å; A224-Q228 PolarHBondContact O-NE2 2.89Å
225	T	98.3	Very high	97.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-49.8	174.4	-58.7	0	0	0	0	111.5	T208 T221 F222 E223 Q227 Q228 L229 V240 H244	T208-T225 HydrophobicContact CG2-CG2 3.86Å; T208-T225 WeakPolarHBondContact OG1-CG2 3.44Å; T221-T225 PolarHBondContact O-N 2.94Å; T221-T225 PolarHBondContact O-OG1 3.48Å; F222-T225 WeakPolarHBondContact O-CB 3.38Å; F222-T225 PolarHBondContact O-N 3.4Å; F222-T225 VanDerWaalsContact O-N 3.16Å; E223-T225 VanDerWaalsContact C-N 3.33Å; T225-Q227 VanDerWaalsContact C-N 3.31Å; T225-Q227 PolarHBondContact O-N 3.36Å; T225-Q228 PolarHBondContact O-N 3.28Å; T225-L229 HydrophobicContact CG2-CD1 4.14Å; T225-L229 WeakPolarHBondContact O-CG 3.31Å; T225-L229 PolarHBondContact O-N 3.29Å; T225-V240 HydrophobicContact CG2-CG1 4.08Å; T225-H244 PolarHBondContact OG1-CD2 3.05Å
226	V	97.2	Very high	97.1	Very high	31 Å²	31	59.1 Å²	59.1	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-41.2	179.7	173.6	0	0	0	0	111.4	F222 E223 Q228 L229 T237 V240	F222-V226 HydrophobicContact CD2-CG2 3.81Å; F222-V226 HydrophobicContact CE1-CG2 4.33Å; F222-V226 HydrophobicContact CE2-CG2 3.24Å; F222-V226 HydrophobicContact CZ-CG2 3.56Å; F222-V226 WeakPolarHBondContact O-CG2 3.39Å; F222-V226 PolarHBondContact O-N 2.84Å; E223-V226 PolarHBondContact O-N 3.41Å; V226-Q228 VanDerWaalsContact C-N 3.25Å; V226-Q228 PolarHBondContact O-N 3.38Å; V226-L229 PolarHBondContact O-N 2.97Å; V226-T237 HydrophobicContact CG1-CG2 4.49Å; V226-V240 HydrophobicContact CG2-CB 4.26Å; V226-V240 HydrophobicContact CG2-CG1 3.65Å
227	Q	96.9	Very high	96.9	Very high	160 Å²	160	62.3 Å²	62.3	75%	0.748	34%	0.335	S	S	*	.	H	α-helix	trans	-63.8	-29	179.5	-75	171.4	3.1	0	0	113.6	E223 T225	E223-Q227 WeakPolarHBondContact O-CB 3.12Å; E223-Q227 VanDerWaalsContact O-CG 3.23Å; E223-Q227 WeakPolarHBondContact O-CG 3.39Å; E223-Q227 PolarHBondContact O-N 2.64Å; E223-Q227 VanDerWaalsContact O-N 3.12Å; T225-Q227 VanDerWaalsContact C-N 3.31Å; T225-Q227 PolarHBondContact O-N 3.36Å
228	Q	97.2	Very high	96.8	Very high	92 Å²	92	60.5 Å²	60.5	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-97.2	-1.5	-178.8	-69.6	-174.1	75	0	0	113.8	L211 A224 T225 V226	L211-Q228 HydrophobicContact CD1-CB 3.8Å; L211-Q228 HydrophobicContact CD2-CB 4.15Å; A224-Q228 WeakPolarHBondContact O-CG 3.48Å; A224-Q228 PolarHBondContact O-N 2.97Å; A224-Q228 PolarHBondContact O-NE2 2.89Å; T225-Q228 PolarHBondContact O-N 3.28Å; V226-Q228 VanDerWaalsContact C-N 3.25Å; V226-Q228 PolarHBondContact O-N 3.38Å
229	L	96.8	Very high	96.7	Very high	4 Å²	4	57 Å²	57	2%	0.021	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-87.3	138.5	169.8	-75.9	168.1	0	0	0	109.6	Y203 I204 R207 T225 V226 N234 V240	Y203-L229 HydrophobicContact CD1-CD2 4.49Å; Y203-L229 HydrophobicContact CE1-CD2 3.98Å; I204-L229 HydrophobicContact CG2-CD1 4.28Å; R207-L229 HydrophobicContact CB-CD2 4.04Å; R207-L229 HydrophobicContact CG-CD2 3.65Å; T225-L229 HydrophobicContact CG2-CD1 4.14Å; T225-L229 WeakPolarHBondContact O-CG 3.31Å; T225-L229 PolarHBondContact O-N 3.29Å; V226-L229 PolarHBondContact O-N 2.97Å; L229-N234 HydrophobicContact CB-CB 3.72Å; L229-N234 WeakPolarHBondContact O-CB 3.39Å; L229-N234 PolarHBondContact O-ND2 3.12Å; L229-V240 HydrophobicContact CD1-CB 4.36Å; L229-V240 HydrophobicContact CD1-CG1 3.65Å; L229-V240 HydrophobicContact CD1-CG2 3.67Å
230	E	95.6	Very high	96.7	Very high	144 Å²	144	56.3 Å²	56.3	67%	0.673	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-96.3	160.7	176.4	-63.5	-175	179	0	0	111.4	Y233 N234	E230-Y233 WeakPolarHBondContact O-CA 3.37Å; E230-Y233 WeakPolarHBondContact O-CB 3.41Å; E230-Y233 PolarHBondContact O-N 3.18Å; E230-N234 PolarHBondContact O-N 3.31Å
231	A	94.4	Very high	96.6	Very high	78 Å²	78	60.1 Å²	60.1	65%	0.645	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	142.8	173	0	0	0	0	0	110.3	N234	A231-N234 WeakPolarHBondContact CA-OD1 3.09Å; A231-N234 PolarHBondContact N-OD1 2.91Å
232	P	95.6	Very high	96.6	Very high	85 Å²	85	60 Å²	60	55%	0.552	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.6	-1.9	4.8	34.7	-36	0	0	0	114.7	N234 S235	P232-N234 VanDerWaalsContact C-N 3.34Å; P232-N234 PolarHBondContact O-N 3.09Å; P232-S235 WeakPolarHBondContact O-CB 3.45Å; P232-S235 PolarHBondContact O-N 3.19Å; P232-S235 PolarHBondContact O-OG 3.1Å
233	Y	96.6	Very high	96.6	Very high	67 Å²	67	57.9 Å²	57.9	26%	0.263	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-21.6	-169.7	-53.8	-77.7	0	0	0	114.7	V200 Y203 E230	V200-Y233 HydrophobicContact CG1-CD1 4.19Å; V200-Y233 HydrophobicContact CG2-CD1 4.41Å; V200-Y233 HydrophobicContact CG2-CE1 4.27Å; Y203-Y233 AromaticContact CD1-CD1 3.34Å; Y203-Y233 HydrophobicContact CD1-CD1 3.34Å; Y203-Y233 AromaticContact CD1-CD2 3.62Å; Y203-Y233 HydrophobicContact CD1-CD2 3.62Å; Y203-Y233 AromaticContact CD1-CE1 3.72Å; Y203-Y233 HydrophobicContact CD1-CE1 3.72Å; Y203-Y233 AromaticContact CD1-CE2 3.97Å; Y203-Y233 HydrophobicContact CD1-CE2 3.97Å; Y203-Y233 AromaticContact CD1-CG 3.28Å; Y203-Y233 HydrophobicContact CD1-CG 3.28Å; Y203-Y233 HydrophobicContact CD2-CE1 4.17Å; Y203-Y233 HydrophobicContact CD2-CE2 4.15Å; Y203-Y233 AromaticContact CD2-CZ 3.92Å; Y203-Y233 AromaticContact CE1-CD1 3.98Å; Y203-Y233 HydrophobicContact CE1-CD1 3.98Å; Y203-Y233 AromaticContact CE1-CD2 3.32Å; Y203-Y233 HydrophobicContact CE1-CD2 3.32Å; Y203-Y233 HydrophobicContact CE1-CE1 4.39Å; Y203-Y233 AromaticContact CE1-CE2 3.8Å; Y203-Y233 HydrophobicContact CE1-CE2 3.8Å; Y203-Y233 AromaticContact CE1-CG 3.42Å; Y203-Y233 HydrophobicContact CE1-CG 3.42Å; Y203-Y233 VanDerWaalsContact CE1-CG 3.42Å; Y203-Y233 HydrophobicContact CE2-CD2 4.34Å; Y203-Y233 AromaticContact CE2-CE2 3.97Å; Y203-Y233 HydrophobicContact CE2-CE2 3.97Å; Y203-Y233 AromaticContact CG-CD1 3.72Å; Y203-Y233 HydrophobicContact CG-CD1 3.72Å; Y203-Y233 HydrophobicContact CG-CD2 4.26Å; Y203-Y233 AromaticContact CG-CE1 3.6Å; Y203-Y233 HydrophobicContact CG-CE1 3.6Å; Y203-Y233 HydrophobicContact CG-CE2 4.15Å; Y203-Y233 HydrophobicContact CG-CG 4.05Å; Y203-Y233 AromaticContact CG-CZ 3.82Å; Y203-Y233 AromaticContact CZ-CD2 3.73Å; Y203-Y233 AromaticContact CZ-CE2 3.8Å; E230-Y233 WeakPolarHBondContact O-CA 3.37Å; E230-Y233 WeakPolarHBondContact O-CB 3.41Å; E230-Y233 PolarHBondContact O-N 3.18Å
234	N	95	Very high	96.7	Very high	53 Å²	53	54.5 Å²	54.5	28%	0.283	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.6	175.5	65.8	-0.7	0	0	0	114.6	L229 E230 A231 P232	L229-N234 HydrophobicContact CB-CB 3.72Å; L229-N234 WeakPolarHBondContact O-CB 3.39Å; L229-N234 PolarHBondContact O-ND2 3.12Å; E230-N234 PolarHBondContact O-N 3.31Å; A231-N234 WeakPolarHBondContact CA-OD1 3.09Å; A231-N234 PolarHBondContact N-OD1 2.91Å; P232-N234 VanDerWaalsContact C-N 3.34Å; P232-N234 PolarHBondContact O-N 3.09Å
235	S	94.1	Very high	96.7	Very high	92 Å²	92	54.5 Å²	54.5	64%	0.643	30%	0.301	S	S	*	.	S	Bend	trans	-73.1	-40.5	-173.9	62.7	0	0	0	0	113.4	P232 T237	P232-S235 WeakPolarHBondContact O-CB 3.45Å; P232-S235 PolarHBondContact O-N 3.19Å; P232-S235 PolarHBondContact O-OG 3.1Å; S235-T237 PolarHBondContact O-N 2.77Å
236	D	95	Very high	96.7	Very high	36 Å²	36	54.5 Å²	54.5	19%	0.193	30%	0.301	C	S	.	.			trans	-89.3	82.5	175.6	-171.5	-14.7	0	0	0	110.7	V238 L239 V240 R835	D236-V238 PolarHBondContact O-N 2.97Å; D236-V238 PolarHBondContact OD1-N 3.42Å; D236-L239 HydrophobicContact CB-CB 4Å; D236-L239 VanDerWaalsContact CG-CB 3.43Å; D236-L239 PolarHBondContact O-N 3.21Å; D236-L239 PolarHBondContact OD1-N 3.49Å; D236-L239 WeakPolarHBondContact OD2-CB 3.43Å; D236-V240 WeakPolarHBondContact O-CG2 3.1Å; D236-V240 PolarHBondContact O-N 3.41Å; D236-V240 VanDerWaalsContact O-N 3.08Å; D236-R835 IonicContact OD2-CZ 3.91Å; D236-R835 IonicContact OD2-NE 3.32Å; D236-R835 IonicContact OD2-NH2 2.74Å; D236-R835 PolarHBondContact OD2-NH2 2.81Å
237	T	95.1	Very high	96.8	Very high	71 Å²	71	53 Å²	53	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-27.7	-178.8	56.6	0	0	0	0	113.3	V226 S235 H241	V226-T237 HydrophobicContact CG1-CG2 4.49Å; S235-T237 PolarHBondContact O-N 2.77Å; T237-H241 VanDerWaalsContact O-CB 3.31Å; T237-H241 WeakPolarHBondContact O-CB 3.39Å; T237-H241 PolarHBondContact O-N 2.8Å
238	V	95.9	Very high	96.9	Very high	88 Å²	88	47.4 Å²	47.4	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-69.6	-43.9	177	178.4	0	0	0	0	109.9	D236 H241 R242	D236-V238 PolarHBondContact O-N 2.97Å; D236-V238 PolarHBondContact OD1-N 3.42Å; V238-H241 PolarHBondContact O-N 2.77Å; V238-R242 WeakPolarHBondContact O-CG 3.29Å; V238-R242 PolarHBondContact O-N 3.36Å
239	L	96.6	Very high	97	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-48	173.9	177.2	58.3	0	0	0	111.3	I190 V200 F201 I204 D236 H241 R242 V243	I190-L239 HydrophobicContact CD1-CD1 3.38Å; V200-L239 HydrophobicContact CG1-CD2 4Å; F201-L239 HydrophobicContact CD2-CD1 4.3Å; I204-L239 HydrophobicContact CD1-CD2 3.77Å; I204-L239 HydrophobicContact CD1-CG 3.95Å; D236-L239 HydrophobicContact CB-CB 4Å; D236-L239 VanDerWaalsContact CG-CB 3.43Å; D236-L239 PolarHBondContact O-N 3.21Å; D236-L239 PolarHBondContact OD1-N 3.49Å; D236-L239 WeakPolarHBondContact OD2-CB 3.43Å; L239-H241 VanDerWaalsContact C-N 3.28Å; L239-H241 PolarHBondContact O-N 3.1Å; L239-R242 PolarHBondContact O-N 2.93Å; L239-V243 HydrophobicContact CD1-CG2 4.08Å; L239-V243 HydrophobicContact CG-CG2 4.49Å; L239-V243 WeakPolarHBondContact O-CG2 3.36Å; L239-V243 PolarHBondContact O-N 3.07Å
240	V	98.1	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-43	177.5	178.5	0	0	0	0	111	I204 F222 T225 V226 L229 D236 V243 H244	I204-V240 HydrophobicContact CD1-CG2 3.94Å; I204-V240 HydrophobicContact CG1-CG2 4.39Å; I204-V240 HydrophobicContact CG2-CB 4.45Å; I204-V240 HydrophobicContact CG2-CG1 4.4Å; I204-V240 HydrophobicContact CG2-CG2 4.12Å; F222-V240 HydrophobicContact CD2-CG1 4.34Å; F222-V240 HydrophobicContact CE2-CB 4.32Å; F222-V240 HydrophobicContact CE2-CG1 4.07Å; T225-V240 HydrophobicContact CG2-CG1 4.08Å; V226-V240 HydrophobicContact CG2-CB 4.26Å; V226-V240 HydrophobicContact CG2-CG1 3.65Å; L229-V240 HydrophobicContact CD1-CB 4.36Å; L229-V240 HydrophobicContact CD1-CG1 3.65Å; L229-V240 HydrophobicContact CD1-CG2 3.67Å; D236-V240 WeakPolarHBondContact O-CG2 3.1Å; D236-V240 PolarHBondContact O-N 3.41Å; D236-V240 VanDerWaalsContact O-N 3.08Å; V240-V243 PolarHBondContact O-N 3.15Å; V240-H244 WeakPolarHBondContact O-CB 3.19Å; V240-H244 PolarHBondContact O-N 3.34Å
241	H	98.1	Very high	97.2	Very high	92 Å²	92	39.3 Å²	39.3	43%	0.426	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-42.2	178.7	-172.4	-129.7	0	0	0	112.5	F222 T237 V238 L239 S245	F222-H241 AromaticContact CD1-CD2 3.94Å; F222-H241 HydrophobicContact CD2-CB 3.88Å; F222-H241 AromaticContact CD2-CD2 3.67Å; F222-H241 VanDerWaalsContact CE2-CA 3.5Å; F222-H241 HydrophobicContact CE2-CB 3.46Å; F222-H241 VanDerWaalsContact CE2-CB 3.46Å; F222-H241 AromaticContact CG-CD2 3.62Å; F222-H241 HydrophobicContact CZ-CB 3.9Å; T237-H241 VanDerWaalsContact O-CB 3.31Å; T237-H241 WeakPolarHBondContact O-CB 3.39Å; T237-H241 PolarHBondContact O-N 2.8Å; V238-H241 PolarHBondContact O-N 2.77Å; L239-H241 VanDerWaalsContact C-N 3.28Å; L239-H241 PolarHBondContact O-N 3.1Å; H241-S245 VanDerWaalsContact O-CB 3.25Å; H241-S245 WeakPolarHBondContact O-CB 3.49Å; H241-S245 PolarHBondContact O-N 3.04Å; H241-S245 PolarHBondContact O-OG 2.84Å
242	R	98.1	Very high	97.4	Very high	14 Å²	14	36.5 Å²	36.5	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-45.1	175.6	-69	169.8	61.9	-165.2	2.4	111.2	F187 D189 V238 L239 S245 Y246 Y831	F187-R242 VanDerWaalsContact CD1-NH2 3.31Å; F187-R242 HydrophobicContact CE1-CB 3.62Å; F187-R242 HydrophobicContact CZ-CB 4.2Å; D189-R242 IonicContact OD1-CZ 3.36Å; D189-R242 IonicContact OD1-NH1 3.8Å; D189-R242 IonicContact OD1-NH2 2.84Å; D189-R242 PolarHBondContact OD1-NH2 3.08Å; D189-R242 IonicContact OD2-CZ 3.69Å; D189-R242 IonicContact OD2-NH1 3.91Å; D189-R242 PolarHBondContact OD2-NH1 3.32Å; D189-R242 IonicContact OD2-NH2 2.93Å; V238-R242 WeakPolarHBondContact O-CG 3.29Å; V238-R242 PolarHBondContact O-N 3.36Å; L239-R242 PolarHBondContact O-N 2.93Å; R242-S245 PolarHBondContact O-N 3.32Å; R242-Y246 WeakPolarHBondContact O-CB 3.37Å; R242-Y246 PolarHBondContact O-N 2.74Å; R242-Y831 PolarHBondContact NE-O 2.6Å
243	V	98.7	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-49.7	178	174.7	0	0	0	0	111	F187 F201 I204 R205 L239 V240 S245 Y246 L247	F187-V243 HydrophobicContact CE1-CG2 4.29Å; F187-V243 HydrophobicContact CZ-CG2 4.37Å; F201-V243 HydrophobicContact CD2-CG2 3.61Å; F201-V243 HydrophobicContact CE2-CG2 3.63Å; I204-V243 HydrophobicContact CG2-CB 3.94Å; I204-V243 HydrophobicContact CG2-CG1 3.89Å; I204-V243 HydrophobicContact CG2-CG2 4.14Å; R205-V243 HydrophobicContact CB-CG1 3.95Å; L239-V243 HydrophobicContact CD1-CG2 4.08Å; L239-V243 HydrophobicContact CG-CG2 4.49Å; L239-V243 WeakPolarHBondContact O-CG2 3.36Å; L239-V243 PolarHBondContact O-N 3.07Å; V240-V243 PolarHBondContact O-N 3.15Å; V243-S245 PolarHBondContact O-N 2.96Å; V243-Y246 PolarHBondContact O-N 2.64Å; V243-L247 HydrophobicContact CG1-CD1 3.97Å; V243-L247 HydrophobicContact CG1-CG 4.35Å; V243-L247 VanDerWaalsContact O-CG 3.3Å; V243-L247 WeakPolarHBondContact O-CG 3.4Å; V243-L247 PolarHBondContact O-N 3.06Å
244	H	98.8	Very high	97.7	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-48.5	177.1	177.8	-79.7	0	0	0	111.5	L220 F222 T225 V240 Y246 L247 E248	L220-H244 PolarHBondContact O-NE2 3.49Å; F222-H244 PolarHBondContact N-NE2 3.05Å; T225-H244 PolarHBondContact OG1-CD2 3.05Å; V240-H244 WeakPolarHBondContact O-CB 3.19Å; V240-H244 PolarHBondContact O-N 3.34Å; H244-Y246 VanDerWaalsContact C-N 3.34Å; H244-Y246 PolarHBondContact O-N 3.25Å; H244-L247 PolarHBondContact O-N 2.95Å; H244-E248 IonicContact CE1-OE2 2.8Å; H244-E248 WeakPolarHBondContact O-CB 3.36Å; H244-E248 PolarHBondContact O-N 3.25Å
245	S	98.7	Very high	97.9	Very high	28 Å²	28	27 Å²	27	20%	0.196	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-40	178.9	-62.6	0	0	0	0	112.6	H241 R242 V243 R249	H241-S245 VanDerWaalsContact O-CB 3.25Å; H241-S245 WeakPolarHBondContact O-CB 3.49Å; H241-S245 PolarHBondContact O-N 3.04Å; H241-S245 PolarHBondContact O-OG 2.84Å; R242-S245 PolarHBondContact O-N 3.32Å; V243-S245 PolarHBondContact O-N 2.96Å; S245-R249 WeakPolarHBondContact O-CB 3.38Å; S245-R249 PolarHBondContact O-N 2.84Å
246	Y	98.8	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-50.3	174.6	166	-96	0	0	0	111	Q182 E183 C186 F187 R242 V243 H244 E248 R249 H250 L252 Y831	Q182-Y246 HydrophobicContact CG-CE2 4.24Å; Q182-Y246 WeakPolarHBondContact CG-OH 3.31Å; E183-Y246 HydrophobicContact CG-CE1 3.74Å; E183-Y246 WeakPolarHBondContact CG-OH 3.4Å; C186-Y246 HydrophobicContact CB-CD2 3.95Å; C186-Y246 HydrophobicContact CB-CE2 4.16Å; F187-Y246 HydrophobicContact CE2-CD1 4.1Å; F187-Y246 AromaticContact CE2-CD2 3.87Å; F187-Y246 HydrophobicContact CE2-CD2 3.87Å; F187-Y246 AromaticContact CE2-CG 3.64Å; F187-Y246 HydrophobicContact CE2-CG 3.64Å; F187-Y246 HydrophobicContact CZ-CG 4.14Å; R242-Y246 WeakPolarHBondContact O-CB 3.37Å; R242-Y246 PolarHBondContact O-N 2.74Å; V243-Y246 PolarHBondContact O-N 2.64Å; H244-Y246 VanDerWaalsContact C-N 3.34Å; H244-Y246 PolarHBondContact O-N 3.25Å; Y246-E248 VanDerWaalsContact C-N 3.33Å; Y246-E248 PolarHBondContact O-N 2.92Å; Y246-R249 PolarHBondContact O-N 3.44Å; Y246-H250 AromaticContact CD2-CD2 3.33Å; Y246-H250 WeakPolarHBondContact CD2-CD2 3.37Å; Y246-H250 AromaticContact CD2-NE2 3.76Å; Y246-H250 AromaticContact CE2-CD2 3.34Å; Y246-H250 WeakPolarHBondContact CE2-CD2 3.45Å; Y246-H250 AromaticContact CE2-NE2 3.75Å; Y246-H250 PolarHBondContact O-CD2 2.99Å; Y246-H250 PolarHBondContact O-N 2.98Å; Y246-L252 HydrophobicContact CE1-CD1 4.19Å; Y246-Y831 HydrophobicContact CD2-CD2 4.35Å; Y246-Y831 AromaticContact CD2-CE2 3.97Å; Y246-Y831 HydrophobicContact CD2-CE2 3.97Å
247	L	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-40.3	-179.3	-66.4	175.6	0	0	0	112	R205 T208 I209 V243 H244 G251 L252 I253	R205-L247 HydrophobicContact CG-CD2 4.22Å; T208-L247 HydrophobicContact CG2-CD1 3.69Å; I209-L247 HydrophobicContact CD1-CD2 4.03Å; I209-L247 HydrophobicContact CG1-CD1 3.93Å; I209-L247 HydrophobicContact CG1-CD2 4.1Å; V243-L247 HydrophobicContact CG1-CD1 3.97Å; V243-L247 HydrophobicContact CG1-CG 4.35Å; V243-L247 VanDerWaalsContact O-CG 3.3Å; V243-L247 WeakPolarHBondContact O-CG 3.4Å; V243-L247 PolarHBondContact O-N 3.06Å; H244-L247 PolarHBondContact O-N 2.95Å; L247-G251 PolarHBondContact O-N 3.08Å; L247-L252 HydrophobicContact CB-CB 4.32Å; L247-L252 HydrophobicContact CD2-CB 3.86Å; L247-L252 HydrophobicContact CD2-CD1 3.46Å; L247-L252 VanDerWaalsContact CD2-CD1 3.46Å; L247-L252 HydrophobicContact CD2-CG 4.31Å; L247-L252 PolarHBondContact O-N 2.76Å; L247-I253 HydrophobicContact CB-CD1 3.89Å; L247-I253 HydrophobicContact CB-CG1 3.83Å; L247-I253 HydrophobicContact CB-CG2 4.28Å; L247-I253 PolarHBondContact O-N 2.79Å
248	E	98.8	Very high	98.4	Very high	41 Å²	41	20.5 Å²	20.5	19%	0.192	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-43.9	176.1	-179.4	168.4	-122.7	0	0	111.5	H244 Y246 H250 G251 I253 N254 Q287 F291	H244-E248 IonicContact CE1-OE2 2.8Å; H244-E248 WeakPolarHBondContact O-CB 3.36Å; H244-E248 PolarHBondContact O-N 3.25Å; Y246-E248 VanDerWaalsContact C-N 3.33Å; Y246-E248 PolarHBondContact O-N 2.92Å; E248-H250 VanDerWaalsContact C-N 3.33Å; E248-H250 PolarHBondContact O-N 3.45Å; E248-G251 PolarHBondContact O-N 2.86Å; E248-I253 HydrophobicContact CB-CD1 4.4Å; E248-I253 HydrophobicContact CB-CG1 4.16Å; E248-N254 HydrophobicContact CG-CB 4.23Å; E248-N254 PolarHBondContact OE1-ND2 2.94Å; E248-Q287 PolarHBondContact O-NE2 3.41Å; E248-F291 HydrophobicContact CG-CE1 4.32Å; E248-F291 WeakPolarHBondContact O-CZ 3.33Å
249	R	98.8	Very high	98.5	Very high	40 Å²	40	24 Å²	24	15%	0.151	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-41.3	179	179.5	59.4	53.8	87.3	-3	112.5	S245 Y246 F291 G820 D824 G828 Y831	S245-R249 WeakPolarHBondContact O-CB 3.38Å; S245-R249 PolarHBondContact O-N 2.84Å; Y246-R249 PolarHBondContact O-N 3.44Å; R249-F291 WeakPolarHBondContact O-CZ 3.47Å; R249-G820 WeakPolarHBondContact O-CA 3.25Å; R249-D824 WeakPolarHBondContact CD-OD1 3.49Å; R249-D824 VanDerWaalsContact CG-OD1 3.27Å; R249-D824 WeakPolarHBondContact CG-OD1 3.45Å; R249-D824 IonicContact CZ-OD1 3.65Å; R249-D824 IonicContact NE-OD1 2.69Å; R249-D824 IonicContact NH1-OD1 3.67Å; R249-D824 PolarHBondContact NH1-OD1 3.18Å; R249-G828 PolarHBondContact NH1-O 3.48Å; R249-Y831 HydrophobicContact CB-CE1 3.99Å; R249-Y831 HydrophobicContact CG-CE1 3.82Å
250	H	98.6	Very high	98.5	Very high	27 Å²	27	27.2 Å²	27.2	13%	0.125	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	6.5	-176.7	-66.4	-72.3	0	0	0	113.5	Q182 Y246 E248 L252 D824 Y831	Q182-H250 PolarHBondContact NE2-CE1 3.14Å; Q182-H250 VanDerWaalsContact NE2-CG 3.28Å; Q182-H250 PolarHBondContact NE2-ND1 3.19Å; Y246-H250 AromaticContact CD2-CD2 3.33Å; Y246-H250 WeakPolarHBondContact CD2-CD2 3.37Å; Y246-H250 AromaticContact CD2-NE2 3.76Å; Y246-H250 AromaticContact CE2-CD2 3.34Å; Y246-H250 WeakPolarHBondContact CE2-CD2 3.45Å; Y246-H250 AromaticContact CE2-NE2 3.75Å; Y246-H250 PolarHBondContact O-CD2 2.99Å; Y246-H250 PolarHBondContact O-N 2.98Å; E248-H250 VanDerWaalsContact C-N 3.33Å; E248-H250 PolarHBondContact O-N 3.45Å; H250-L252 PolarHBondContact O-N 3.06Å; H250-D824 IonicContact CE1-OD2 3.9Å; H250-D824 IonicContact NE2-OD2 3.29Å; H250-Y831 AromaticContact NE2-CZ 3.83Å; H250-Y831 PolarHBondContact NE2-OH 3.29Å
251	G	98.6	Very high	98.5	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	29.2	173.7	0	0	0	0	0	114.3	L247 E248 F255	L247-G251 PolarHBondContact O-N 3.08Å; E248-G251 PolarHBondContact O-N 2.86Å; G251-F255 WeakPolarHBondContact O-CD1 3.46Å
252	L	98.8	Very high	98.4	Very high	19 Å²	19	31.8 Å²	31.8	10%	0.099	15%	0.151	C	C	.	.	S	Bend	trans	-84.3	-28.6	172.4	-68.6	166.6	0	0	0	111.5	L174 Y246 L247 H250	L174-L252 HydrophobicContact CD1-CD1 4.12Å; L174-L252 HydrophobicContact CD1-CD2 4.39Å; Y246-L252 HydrophobicContact CE1-CD1 4.19Å; L247-L252 HydrophobicContact CB-CB 4.32Å; L247-L252 HydrophobicContact CD2-CB 3.86Å; L247-L252 HydrophobicContact CD2-CD1 3.46Å; L247-L252 VanDerWaalsContact CD2-CD1 3.46Å; L247-L252 HydrophobicContact CD2-CG 4.31Å; L247-L252 PolarHBondContact O-N 2.76Å; H250-L252 PolarHBondContact O-N 3.06Å
253	I	98.9	Very high	98.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-126.7	167.2	167.8	67.5	177.3	0	0	0	109.6	T208 I209 W212 L220 L247 E248 F255	T208-I253 HydrophobicContact CG2-CD1 3.96Å; I209-I253 HydrophobicContact CG1-CG2 4.39Å; W212-I253 HydrophobicContact CB-CB 3.87Å; W212-I253 HydrophobicContact CB-CG2 3.54Å; W212-I253 HydrophobicContact CD2-CB 4.16Å; W212-I253 HydrophobicContact CG-CB 3.72Å; W212-I253 HydrophobicContact CG-CG2 3.75Å; L220-I253 HydrophobicContact CD2-CD1 4.28Å; L247-I253 HydrophobicContact CB-CD1 3.89Å; L247-I253 HydrophobicContact CB-CG1 3.83Å; L247-I253 HydrophobicContact CB-CG2 4.28Å; L247-I253 PolarHBondContact O-N 2.79Å; E248-I253 HydrophobicContact CB-CD1 4.4Å; E248-I253 HydrophobicContact CB-CG1 4.16Å; I253-F255 PolarHBondContact O-N 2.94Å
254	N	98.8	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	53.1	39.9	174.6	-60.8	-22.5	0	0	0	113.5	W212 L220 E248 Y258 Q287	W212-N254 WeakPolarHBondContact CZ3-OD1 3.46Å; L220-N254 PolarHBondContact N-OD1 3.47Å; L220-N254 PolarHBondContact O-ND2 2.91Å; E248-N254 HydrophobicContact CG-CB 4.23Å; E248-N254 PolarHBondContact OE1-ND2 2.94Å; N254-Y258 HydrophobicContact CB-CE1 4.39Å; N254-Y258 WeakPolarHBondContact O-CE1 3.44Å; N254-Y258 VanDerWaalsContact O-CZ 3.22Å; N254-Y258 PolarHBondContact O-OH 3.35Å; N254-Q287 PolarHBondContact O-OE1 2.97Å
255	F	98.9	Very high	97.6	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.026	22%	0.223	C	C	.	.			trans	-112.8	162.4	175.2	76.2	-91.6	0	0	0	111.7	W212 G251 I253 P332 V335 V336 Q339 L812 L816	W212-F255 HydrophobicContact CZ2-CD1 4.29Å; W212-F255 WeakPolarHBondContact CZ2-O 3.31Å; W212-F255 AromaticContact NE1-CD1 3.87Å; W212-F255 AromaticContact NE1-CE1 3.62Å; G251-F255 WeakPolarHBondContact O-CD1 3.46Å; I253-F255 PolarHBondContact O-N 2.94Å; F255-P332 HydrophobicContact CE2-CB 4.33Å; F255-P332 HydrophobicContact CZ-CB 4.25Å; F255-V335 HydrophobicContact CE1-CB 4.42Å; F255-V335 HydrophobicContact CE1-CG1 4.11Å; F255-V335 HydrophobicContact CE1-CG2 4.31Å; F255-V335 HydrophobicContact CE2-CB 4.06Å; F255-V335 HydrophobicContact CE2-CG1 3.96Å; F255-V335 HydrophobicContact CZ-CB 3.59Å; F255-V335 HydrophobicContact CZ-CG1 3.6Å; F255-V335 HydrophobicContact CZ-CG2 3.77Å; F255-V336 HydrophobicContact CE2-CG2 4.43Å; F255-Q339 PolarHBondContact O-NE2 3.04Å; F255-L812 HydrophobicContact CE2-CD2 4.31Å; F255-L816 HydrophobicContact CB-CD1 4.21Å; F255-L816 HydrophobicContact CB-CD2 3.98Å; F255-L816 HydrophobicContact CD2-CD1 4.03Å; F255-L816 HydrophobicContact CG-CD1 4.11Å
256	G	98.4	Very high	97.2	Very high	7 Å²	7	49 Å²	49	7%	0.072	26%	0.258	C	S	.	.	S	Bend	trans	78.9	-128.3	180	0	0	0	0	0	112.7	R286	G256-R286 WeakPolarHBondContact O-CD 3.33Å; G256-R286 PolarHBondContact O-NH1 3.31Å
257	I	98.6	Very high	97	Very high	29 Å²	29	57.3 Å²	57.3	15%	0.149	29%	0.294	C	S	.	.	S	Bend	trans	-122.2	106.1	-173.4	-55.8	148.2	0	0	0	110	Q339 V340 A574 L575	I257-Q339 HydrophobicContact CB-CB 4.3Å; I257-Q339 WeakPolarHBondContact O-CB 3.26Å; I257-Q339 WeakPolarHBondContact O-CG 3.28Å; I257-V340 HydrophobicContact CD1-CG2 3.42Å; I257-V340 VanDerWaalsContact CD1-CG2 3.42Å; I257-A574 HydrophobicContact CD1-CB 3.47Å; I257-A574 VanDerWaalsContact CD1-CB 3.47Å; I257-L575 HydrophobicContact CD1-CD2 4.13Å; I257-L575 HydrophobicContact CD1-CG 4.39Å; I257-L575 HydrophobicContact CG1-CD2 4.05Å
258	Y	98.6	Very high	96.9	Very high	26 Å²	26	62.1 Å²	62.1	10%	0.102	32%	0.315	C	S	.	.			trans	-138.5	152.4	-179.8	54.8	-87.9	0	0	0	110.5	W212 K217 Q219 N254 R260 S290	W212-Y258 AromaticContact CH2-CD1 3.85Å; W212-Y258 HydrophobicContact CH2-CD1 3.85Å; W212-Y258 HydrophobicContact CH2-CG 4.06Å; W212-Y258 HydrophobicContact CZ3-CG 4.36Å; K217-Y258 CarbonylContact O-C 3.6Å; K217-Y258 WeakPolarHBondContact O-CA 3.49Å; Q219-Y258 HydrophobicContact CB-CD2 3.73Å; Q219-Y258 HydrophobicContact CB-CE2 3.84Å; Q219-Y258 HydrophobicContact CG-CD2 4.35Å; Q219-Y258 HydrophobicContact CG-CE2 3.97Å; N254-Y258 HydrophobicContact CB-CE1 4.39Å; N254-Y258 WeakPolarHBondContact O-CE1 3.44Å; N254-Y258 VanDerWaalsContact O-CZ 3.22Å; N254-Y258 PolarHBondContact O-OH 3.35Å; Y258-R260 PolarHBondContact O-N 3.36Å; Y258-R260 PolarHBondContact OH-NH2 2.93Å; Y258-S290 PolarHBondContact OH-OG 2.81Å; Y258-S290 VanDerWaalsContact OH-OG 3.06Å
259	K	98.3	Very high	96.8	Very high	162 Å²	162	63.9 Å²	63.9	70%	0.704	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-69.9	118.5	170.4	-173.8	177.6	179.2	-179.3	0	108.8	K217 I218 Q219	K217-K259 PolarHBondContact O-N 2.53Å; I218-K259 HydrophobicContact CG2-CB 4.41Å; Q219-K259 PolarHBondContact N-O 3.46Å
260	R	97.3	Very high	96.7	Very high	73 Å²	73	63.1 Å²	63.1	28%	0.275	33%	0.333	S	S	.	.			trans	-74.3	133.8	179	-176.9	172.3	-67.9	-81.8	-4.6	110.6	Y258 K262 S290	Y258-R260 PolarHBondContact O-N 3.36Å; Y258-R260 PolarHBondContact OH-NH2 2.93Å; R260-K262 WeakPolarHBondContact CD-O 3.29Å; R260-K262 WeakPolarHBondContact CG-O 3.27Å; R260-S290 VanDerWaalsContact NH2-CB 3.3Å; R260-S290 PolarHBondContact NH2-OG 3.29Å
261	V	97.4	Very high	96.7	Very high	91 Å²	91	63.9 Å²	63.9	55%	0.552	34%	0.336	S	S	*	.	S	Bend	trans	-89.7	-48.5	175.8	176.6	0	0	0	0	109.9	Q219 T221	Q219-V261 HydrophobicContact CB-CB 4.49Å; Q219-V261 HydrophobicContact CB-CG2 4.18Å; Q219-V261 VanDerWaalsContact OE1-N 3.09Å; T221-V261 HydrophobicContact CG2-CB 3.93Å; T221-V261 HydrophobicContact CG2-CG1 4.11Å; T221-V261 HydrophobicContact CG2-CG2 4.41Å
262	K	95	Very high	96.8	Very high	96 Å²	96	63.8 Å²	63.8	42%	0.417	34%	0.335	S	S	.	.	S	Bend	trans	-93.9	113.3	176	-64.4	-177.6	-177.3	179.3	0	109.5	T221 E223 R260	T221-K262 HydrophobicContact CG2-CG 4.47Å; E223-K262 IonicContact OE1-NZ 3.76Å; E223-K262 PolarHBondContact OE1-NZ 2.96Å; E223-K262 VanDerWaalsContact OE2-CE 3.23Å; E223-K262 WeakPolarHBondContact OE2-CE 3.26Å; E223-K262 IonicContact OE2-NZ 3.61Å; E223-K262 PolarHBondContact OE2-NZ 3.18Å; R260-K262 WeakPolarHBondContact CD-O 3.29Å; R260-K262 WeakPolarHBondContact CG-O 3.27Å
263	P	94.6	Very high	96.8	Very high	116 Å²	116	62.9 Å²	62.9	75%	0.753	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-51.9	153.6	-179.5	-26	34.2	0	0	0	112.9
264	L	93.4	Very high	96.8	Very high	66 Å²	66	62.9 Å²	62.9	35%	0.346	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-60.7	145.7	176.5	-72.5	174.8	0	0	0	110.8	T266 Q289	L264-T266 PolarHBondContact O-N 3.25Å; L264-Q289 HydrophobicContact CD1-CG 4.08Å; L264-Q289 WeakPolarHBondContact CD2-O 3.33Å
265	P	90.9	Very high	96.8	Very high	76 Å²	76	63 Å²	63	49%	0.494	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-55.4	133.5	171.4	-23.4	33.4	0	0	0	111.2	K267	P265-K267 VanDerWaalsContact C-N 3.35Å
266	T	90.8	Very high	96.8	Very high	152 Å²	152	63.3 Å²	63.3	93%	0.933	34%	0.335	S	S	*	.	S	Bend	trans	-67.2	-37.6	178.7	50.4	0	0	0	0	112	L264	L264-T266 PolarHBondContact O-N 3.25Å
267	K	94.7	Very high	96.8	Very high	173 Å²	173	63 Å²	63	75%	0.752	33%	0.332	S	S	*	.	S	Bend	trans	-92.3	120	173.1	-172.1	178.9	-179.5	-177.6	0	109.2	P265	P265-K267 VanDerWaalsContact C-N 3.35Å
268	K	96.8	Very high	96.8	Very high	101 Å²	101	62.1 Å²	62.1	44%	0.439	33%	0.331	S	S	.	.			trans	-85.8	150.9	175	-55.5	-174.2	-171.5	179.1	0	111.4	G292 D294	K268-G292 CarbonylContact C-O 3.28Å; K268-G292 WeakPolarHBondContact CA-O 3.29Å; K268-G292 WeakPolarHBondContact CB-O 2.97Å; K268-D294 HydrophobicContact CB-CB 4.08Å; K268-D294 HydrophobicContact CD-CB 3.62Å; K268-D294 IonicContact NZ-OD1 2.73Å; K268-D294 PolarHBondContact NZ-OD1 3.15Å
269	T	97.2	Very high	96.8	Very high	79 Å²	79	61.3 Å²	61.3	49%	0.485	33%	0.328	S	S	.	.			trans	-122.2	123.6	178.8	-57.8	0	0	0	0	110.6	G292 M293 L827	T269-G292 PolarHBondContact N-O 3.27Å; T269-M293 WeakPolarHBondContact O-CA 3.24Å; T269-M293 WeakPolarHBondContact O-CG 3.45Å; T269-L827 HydrophobicContact CG2-CD2 3.67Å
270	G	96.8	Very high	96.8	Very high	24 Å²	24	54 Å²	54	25%	0.247	30%	0.297	C	S	.	.	S	Bend	trans	75.6	144.8	-177.5	0	0	0	0	0	113.5	D294 D616	G270-D294 PolarHBondContact O-N 3.33Å; G270-D616 WeakPolarHBondContact CA-OD2 3.37Å
271	K	98.7	Very high	96.9	Very high	43 Å²	43	50.5 Å²	50.5	19%	0.187	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.8	175.8	-176.8	68.9	-175.4	174.2	0	110.4	D294 T296 C615 D616 A617	K271-D294 CarbonylContact C-O 3.58Å; K271-D294 WeakPolarHBondContact CA-O 3.44Å; K271-D294 HydrophobicContact CD-CB 3.8Å; K271-D294 WeakPolarHBondContact CD-OD2 3.44Å; K271-D294 WeakPolarHBondContact CE-OD2 3.23Å; K271-D294 IonicContact NZ-OD1 2.68Å; K271-D294 IonicContact NZ-OD2 3.4Å; K271-D294 PolarHBondContact NZ-OD2 3.49Å; K271-T296 PolarHBondContact NZ-OG1 2.82Å; K271-C615 HydrophobicContact CB-CB 4.22Å; K271-C615 HydrophobicContact CG-CB 3.76Å; K271-C615 WeakPolarHBondContact O-CB 3.38Å; K271-D616 PolarHBondContact N-OD2 3.03Å; K271-D616 WeakPolarHBondContact O-CB 3.42Å; K271-D616 PolarHBondContact O-N 3.07Å; K271-A617 PolarHBondContact O-N 3.15Å
272	V	98.9	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.6	177	-173.8	0	0	0	0	110.1	I274 L288 M293 D294 V295 T296 A617 I822	V272-I274 HydrophobicContact CG1-CG1 4.25Å; V272-L288 HydrophobicContact CB-CD1 4.35Å; V272-L288 HydrophobicContact CG1-CD1 4Å; V272-L288 HydrophobicContact CG2-CD1 4.4Å; V272-M293 HydrophobicContact CG2-CE 3.79Å; V272-M293 HydrophobicContact CG2-SD 4.28Å; V272-D294 PolarHBondContact N-O 2.87Å; V272-V295 WeakPolarHBondContact O-CA 3.36Å; V272-T296 PolarHBondContact O-N 2.79Å; V272-T296 VanDerWaalsContact O-N 3.14Å; V272-A617 WeakPolarHBondContact CA-O 3.35Å; V272-I822 HydrophobicContact CG2-CG2 3.98Å
273	I	98.9	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.5	168	-65.5	-60.1	0	0	0	109.1	T296 L298 V599 Y613 C615 A617 V618 L619	I273-T296 WeakPolarHBondContact CA-O 3.41Å; I273-T296 HydrophobicContact CD1-CG2 4.34Å; I273-L298 HydrophobicContact CG2-CD1 3.68Å; I273-L298 HydrophobicContact CG2-CG 3.94Å; I273-V599 HydrophobicContact CB-CG2 4.26Å; I273-V599 HydrophobicContact CG2-CB 4.28Å; I273-V599 HydrophobicContact CG2-CG1 4.49Å; I273-V599 HydrophobicContact CG2-CG2 3.9Å; I273-Y613 HydrophobicContact CD1-CD1 4.33Å; I273-Y613 HydrophobicContact CD1-CG 4.36Å; I273-C615 HydrophobicContact CB-CB 4.42Å; I273-C615 HydrophobicContact CG1-CB 3.69Å; I273-C615 VanDerWaalsContact CG1-SG 3.53Å; I273-A617 PolarHBondContact N-O 3.24Å; I273-V618 CarbonylContact O-C 3.56Å; I273-V618 VanDerWaalsContact O-CA 3.31Å; I273-V618 WeakPolarHBondContact O-CA 3.5Å; I273-L619 PolarHBondContact O-N 3.24Å
274	I	98.9	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.3	175.9	-54.7	-176.7	0	0	0	108.5	V272 A284 A285 L288 V295 T296 V297 L298 L619 T621	V272-I274 HydrophobicContact CG1-CG1 4.25Å; I274-A284 HydrophobicContact CD1-CB 4.18Å; I274-A285 HydrophobicContact CD1-CB 3.69Å; I274-L288 HydrophobicContact CD1-CD1 4.25Å; I274-V295 HydrophobicContact CD1-CG1 3.53Å; I274-V295 HydrophobicContact CG1-CG1 3.91Å; I274-T296 PolarHBondContact N-O 3.32Å; I274-V297 HydrophobicContact CB-CG2 4.24Å; I274-V297 CarbonylContact O-C 3.59Å; I274-V297 WeakPolarHBondContact O-CA 3.45Å; I274-L298 PolarHBondContact O-N 2.93Å; I274-L619 WeakPolarHBondContact CA-O 3.4Å; I274-L619 HydrophobicContact CD1-CD2 4.21Å; I274-L619 HydrophobicContact CG1-CB 4.11Å; I274-L619 HydrophobicContact CG1-CD2 4.28Å; I274-L619 HydrophobicContact CG2-CB 4.43Å; I274-L619 HydrophobicContact CG2-CD2 4.23Å; I274-L619 HydrophobicContact CG2-CG 4.38Å; I274-T621 HydrophobicContact CG2-CG2 4.23Å
275	I	98.9	Very high	97.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	108.3	178.7	-53.4	173.2	0	0	0	108.2	V587 V590 V599 V618 L619 T621 L622	I275-V587 HydrophobicContact CD1-CG1 4.13Å; I275-V587 HydrophobicContact CD1-CG2 4.43Å; I275-V587 HydrophobicContact CG1-CG2 4.16Å; I275-V587 HydrophobicContact CG2-CB 4.12Å; I275-V587 HydrophobicContact CG2-CG2 3.8Å; I275-V590 HydrophobicContact CD1-CG2 3.46Å; I275-V590 VanDerWaalsContact CD1-CG2 3.46Å; I275-V599 HydrophobicContact CD1-CG1 4.37Å; I275-V618 HydrophobicContact CD1-CG1 3.6Å; I275-V618 HydrophobicContact CG1-CG1 4.02Å; I275-L619 PolarHBondContact N-O 3.26Å; I275-T621 CarbonylContact O-C 3.55Å; I275-T621 WeakPolarHBondContact O-CA 3.37Å; I275-T621 WeakPolarHBondContact O-CB 3.39Å; I275-T621 PolarHBondContact O-N 3.38Å; I275-T621 PolarHBondContact O-OG1 3.37Å; I275-L622 HydrophobicContact CG2-CD1 4.41Å; I275-L622 HydrophobicContact CG2-CD2 3.64Å; I275-L622 HydrophobicContact CG2-CG 3.83Å
276	G	98.7	Very high	98	Very high	11 Å²	11	31.6 Å²	31.6	11%	0.113	17%	0.172	C	C	.	.			trans	108.7	124.8	-179	0	0	0	0	0	113.2	G278 V297 L298 T621	G276-G278 VanDerWaalsContact C-N 3.31Å; G276-G278 PolarHBondContact O-N 2.93Å; G276-V297 WeakPolarHBondContact O-CG1 3.3Å; G276-L298 PolarHBondContact N-O 3.43Å; G276-T621 PolarHBondContact O-OG1 2.92Å
277	G	98.5	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.			trans	-93	30.6	173.8	0	0	0	0	0	113.4	L282 E299 G305	G277-L282 WeakPolarHBondContact O-CD1 3.44Å; G277-E299 WeakPolarHBondContact CA-OE2 3.27Å; G277-E299 PolarHBondContact N-OE2 2.83Å; G277-G305 PolarHBondContact O-N 2.88Å
278	G	98.8	Very high	98.6	Very high	12 Å²	12	16.2 Å²	16.2	12%	0.124	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-76.9	177	169.2	0	0	0	0	0	112.4	G276 S280 G281 L282	G276-G278 VanDerWaalsContact C-N 3.31Å; G276-G278 PolarHBondContact O-N 2.93Å; G278-S280 VanDerWaalsContact C-N 3.3Å; G278-S280 PolarHBondContact O-N 3.49Å; G278-G281 PolarHBondContact O-N 2.96Å; G278-G281 VanDerWaalsContact O-N 3.16Å; G278-L282 WeakPolarHBondContact O-CB 3.41Å; G278-L282 VanDerWaalsContact O-CG 3.29Å; G278-L282 WeakPolarHBondContact O-CG 3.45Å; G278-L282 PolarHBondContact O-N 3.42Å
279	V	98.9	Very high	98.7	Very high	8 Å²	8	13.4 Å²	13.4	5%	0.048	8%	0.08	C	C	.	.	H	α-helix	trans	-57.3	-39.8	-177.3	175.9	0	0	0	0	112.7	L282 A283 V308 P572 L575 V808 L812	V279-L282 PolarHBondContact O-N 2.82Å; V279-A283 VanDerWaalsContact O-CB 3.25Å; V279-A283 WeakPolarHBondContact O-CB 3.37Å; V279-A283 PolarHBondContact O-N 2.97Å; V279-V308 HydrophobicContact CG2-CG2 3.79Å; V279-P572 HydrophobicContact CG2-CB 4.37Å; V279-L575 HydrophobicContact CG1-CD1 4.44Å; V279-V808 HydrophobicContact CG1-CG1 4.17Å; V279-V808 HydrophobicContact CG2-CG1 4.16Å; V279-L812 HydrophobicContact CG1-CB 3.91Å; V279-L812 HydrophobicContact CG1-CD1 3.93Å
280	S	98.9	Very high	98.7	Very high	8 Å²	8	10.2 Å²	10.2	6%	0.056	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-48.9	175.8	52.5	0	0	0	0	112.5	G278 A284 A811 G815	G278-S280 VanDerWaalsContact C-N 3.3Å; G278-S280 PolarHBondContact O-N 3.49Å; S280-A284 WeakPolarHBondContact O-CB 3.42Å; S280-A284 PolarHBondContact O-N 2.78Å; S280-A811 WeakPolarHBondContact CA-O 3.4Å; S280-A811 WeakPolarHBondContact CB-O 3.49Å; S280-G815 VanDerWaalsContact O-CA 3.31Å; S280-G815 WeakPolarHBondContact O-CA 3.45Å
281	G	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.8	-41.2	178.6	0	0	0	0	0	112.6	G278 A285	G278-G281 PolarHBondContact O-N 2.96Å; G278-G281 VanDerWaalsContact O-N 3.16Å; G281-A285 VanDerWaalsContact O-CB 3.27Å; G281-A285 WeakPolarHBondContact O-CB 3.31Å; G281-A285 PolarHBondContact O-N 3.13Å
282	L	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.7	-41.4	179	-66.5	170.7	0	0	0	112.7	G277 G278 V279 A284 A285 R286 V304 P572 L575 A576 L579 I581	G277-L282 WeakPolarHBondContact O-CD1 3.44Å; G278-L282 WeakPolarHBondContact O-CB 3.41Å; G278-L282 VanDerWaalsContact O-CG 3.29Å; G278-L282 WeakPolarHBondContact O-CG 3.45Å; G278-L282 PolarHBondContact O-N 3.42Å; V279-L282 PolarHBondContact O-N 2.82Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A285 PolarHBondContact O-N 2.84Å; L282-R286 PolarHBondContact O-N 3.28Å; L282-V304 HydrophobicContact CD1-CB 4.26Å; L282-P572 HydrophobicContact CD1-CB 3.65Å; L282-P572 WeakPolarHBondContact CD1-O 3.44Å; L282-L575 HydrophobicContact CB-CB 4.02Å; L282-L575 HydrophobicContact CB-CD1 4.48Å; L282-L575 HydrophobicContact CD1-CB 4.37Å; L282-A576 HydrophobicContact CD2-CB 4.09Å; L282-L579 HydrophobicContact CD2-CD1 3.93Å; L282-I581 HydrophobicContact CD2-CD1 3.75Å
283	A	98.9	Very high	98.8	Very high	4 Å²	4	9 Å²	9	3%	0.033	5%	0.051	C	C	.	.	H	α-helix	trans	-61.6	-45.1	175.1	0	0	0	0	0	110.9	V279 R286 Q287 L812 L816	V279-A283 VanDerWaalsContact O-CB 3.25Å; V279-A283 WeakPolarHBondContact O-CB 3.37Å; V279-A283 PolarHBondContact O-N 2.97Å; A283-R286 PolarHBondContact O-N 3.46Å; A283-Q287 PolarHBondContact O-N 3Å; A283-Q287 VanDerWaalsContact O-N 3.13Å; A283-L812 HydrophobicContact CB-CD1 4.19Å; A283-L812 HydrophobicContact CB-CG 4.32Å; A283-L816 HydrophobicContact CB-CD2 4.27Å
284	A	98.9	Very high	98.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.7	-44.3	175.5	0	0	0	0	0	112.1	I274 S280 L282 R286 Q287 L288 L619 G815 A819	I274-A284 HydrophobicContact CD1-CB 4.18Å; S280-A284 WeakPolarHBondContact O-CB 3.42Å; S280-A284 PolarHBondContact O-N 2.78Å; L282-A284 VanDerWaalsContact C-N 3.35Å; A284-R286 PolarHBondContact O-N 2.93Å; A284-Q287 PolarHBondContact O-N 3.47Å; A284-L288 WeakPolarHBondContact O-CB 3.32Å; A284-L288 WeakPolarHBondContact O-CG 3.49Å; A284-L288 PolarHBondContact O-N 2.92Å; A284-L619 HydrophobicContact CB-CD2 3.34Å; A284-G815 WeakPolarHBondContact CA-O 3.5Å; A284-G815 VanDerWaalsContact CB-O 3.31Å; A284-G815 WeakPolarHBondContact CB-O 3.44Å; A284-A819 HydrophobicContact CB-CB 4.36Å
285	A	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.3	-45.6	179.8	0	0	0	0	0	112.1	I274 G281 L282 Q289 V295 V297 L579	I274-A285 HydrophobicContact CD1-CB 3.69Å; G281-A285 VanDerWaalsContact O-CB 3.27Å; G281-A285 WeakPolarHBondContact O-CB 3.31Å; G281-A285 PolarHBondContact O-N 3.13Å; L282-A285 PolarHBondContact O-N 2.84Å; A285-Q289 VanDerWaalsContact O-CB 3.26Å; A285-Q289 WeakPolarHBondContact O-CB 3.49Å; A285-Q289 PolarHBondContact O-N 3.24Å; A285-V295 HydrophobicContact CB-CG1 4.04Å; A285-V297 HydrophobicContact CB-CG2 3.85Å; A285-L579 HydrophobicContact CB-CD1 3.56Å; A285-L579 HydrophobicContact CB-CD2 4.01Å; A285-L579 HydrophobicContact CB-CG 4.4Å
286	R	98.8	Very high	98.7	Very high	44 Å²	44	11.9 Å²	11.9	17%	0.166	7%	0.067	C	C	.	.	H	α-helix	trans	-62.2	-45.4	176.6	-82.2	-151.5	140.8	-131.3	-5.4	112.4	G256 L282 A283 A284 S290 L575 E577 L579	G256-R286 WeakPolarHBondContact O-CD 3.33Å; G256-R286 PolarHBondContact O-NH1 3.31Å; L282-R286 PolarHBondContact O-N 3.28Å; A283-R286 PolarHBondContact O-N 3.46Å; A284-R286 PolarHBondContact O-N 2.93Å; R286-S290 WeakPolarHBondContact O-CB 3.44Å; R286-S290 PolarHBondContact O-N 2.95Å; R286-L575 WeakPolarHBondContact CD-O 3.35Å; R286-L575 WeakPolarHBondContact CG-O 3.45Å; R286-L575 PolarHBondContact NE-O 3.24Å; R286-L575 VanDerWaalsContact NE-O 3.14Å; R286-E577 PolarHBondContact NH2-O 2.93Å; R286-L579 HydrophobicContact CG-CD1 4.05Å; R286-L579 HydrophobicContact CG-CD2 4.13Å; R286-L579 HydrophobicContact CG-CG 4.32Å
287	Q	98.8	Very high	98.8	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-65	-47.3	178.2	-76.3	-58.6	96.2	0	0	112.2	E248 N254 A283 A284 Q289 S290 F291 L816 A819	E248-Q287 PolarHBondContact O-NE2 3.41Å; N254-Q287 PolarHBondContact O-OE1 2.97Å; A283-Q287 PolarHBondContact O-N 3Å; A283-Q287 VanDerWaalsContact O-N 3.13Å; A284-Q287 PolarHBondContact O-N 3.47Å; Q287-Q289 VanDerWaalsContact C-N 3.33Å; Q287-Q289 PolarHBondContact O-N 3.42Å; Q287-S290 CarbonylContact O-C 3.53Å; Q287-S290 WeakPolarHBondContact O-CA 3.45Å; Q287-S290 WeakPolarHBondContact O-CB 3.3Å; Q287-S290 PolarHBondContact O-N 3.05Å; Q287-F291 HydrophobicContact CB-CE2 4.15Å; Q287-F291 HydrophobicContact CB-CZ 4.41Å; Q287-F291 VanDerWaalsContact O-CD2 3.25Å; Q287-F291 WeakPolarHBondContact O-CD2 3.36Å; Q287-F291 VanDerWaalsContact O-CG 3.26Å; Q287-F291 WeakPolarHBondContact O-CG 3.2Å; Q287-F291 PolarHBondContact O-N 3.33Å; Q287-L816 HydrophobicContact CG-CD2 3.37Å; Q287-A819 HydrophobicContact CB-CB 3.44Å; Q287-A819 VanDerWaalsContact CB-CB 3.44Å; Q287-A819 HydrophobicContact CG-CB 4.33Å
288	L	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-39.9	178.8	-71.1	169.9	0	0	0	112.1	V272 I274 A284 S290 F291 G292 M293 V295 A819 I822	V272-L288 HydrophobicContact CB-CD1 4.35Å; V272-L288 HydrophobicContact CG1-CD1 4Å; V272-L288 HydrophobicContact CG2-CD1 4.4Å; I274-L288 HydrophobicContact CD1-CD1 4.25Å; A284-L288 WeakPolarHBondContact O-CB 3.32Å; A284-L288 WeakPolarHBondContact O-CG 3.49Å; A284-L288 PolarHBondContact O-N 2.92Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-F291 PolarHBondContact O-N 3.26Å; L288-G292 PolarHBondContact O-N 3.37Å; L288-M293 HydrophobicContact CB-CB 4.44Å; L288-M293 HydrophobicContact CD2-SD 3.54Å; L288-M293 VanDerWaalsContact CD2-SD 3.54Å; L288-M293 WeakPolarHBondContact O-CB 3.39Å; L288-M293 PolarHBondContact O-N 2.84Å; L288-V295 HydrophobicContact CB-CG2 3.56Å; L288-A819 HydrophobicContact CD2-CB 4.18Å; L288-A819 WeakPolarHBondContact CD2-O 3.48Å; L288-A819 HydrophobicContact CG-CB 3.83Å; L288-I822 HydrophobicContact CD1-CD1 4.32Å; L288-I822 HydrophobicContact CD2-CB 3.96Å; L288-I822 HydrophobicContact CD2-CG2 3.75Å
289	Q	98.6	Very high	98.8	Very high	41 Å²	41	11.5 Å²	11.5	19%	0.192	6%	0.059	C	C	.	.	H	α-helix	trans	-63.8	-40.3	171.8	-172.8	-173.5	67.5	0	0	111.2	L264 A285 Q287 F291 G292 G578 L579	L264-Q289 HydrophobicContact CD1-CG 4.08Å; L264-Q289 WeakPolarHBondContact CD2-O 3.33Å; A285-Q289 VanDerWaalsContact O-CB 3.26Å; A285-Q289 WeakPolarHBondContact O-CB 3.49Å; A285-Q289 PolarHBondContact O-N 3.24Å; Q287-Q289 VanDerWaalsContact C-N 3.33Å; Q287-Q289 PolarHBondContact O-N 3.42Å; Q289-F291 VanDerWaalsContact C-N 3.27Å; Q289-F291 PolarHBondContact O-N 3.33Å; Q289-G292 PolarHBondContact O-N 2.91Å; Q289-G578 PolarHBondContact NE2-O 3.45Å; Q289-L579 HydrophobicContact CB-CD2 4.46Å
290	S	98.2	Very high	98.8	Very high	13 Å²	13	11.8 Å²	11.8	9%	0.091	6%	0.063	C	C	.	.	H	α-helix	trans	-58	-38.8	174.4	-171.3	0	0	0	0	112.5	Y258 R260 R286 Q287 L288 G292	Y258-S290 PolarHBondContact OH-OG 2.81Å; Y258-S290 VanDerWaalsContact OH-OG 3.06Å; R260-S290 VanDerWaalsContact NH2-CB 3.3Å; R260-S290 PolarHBondContact NH2-OG 3.29Å; R286-S290 WeakPolarHBondContact O-CB 3.44Å; R286-S290 PolarHBondContact O-N 2.95Å; Q287-S290 CarbonylContact O-C 3.53Å; Q287-S290 WeakPolarHBondContact O-CA 3.45Å; Q287-S290 WeakPolarHBondContact O-CB 3.3Å; Q287-S290 PolarHBondContact O-N 3.05Å; L288-S290 VanDerWaalsContact C-N 3.34Å; S290-G292 PolarHBondContact O-N 3.16Å
291	F	98.4	Very high	98.8	Very high	34 Å²	34	12.7 Å²	12.7	15%	0.149	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.4	175.7	-55.6	-33.2	0	0	0	113.7	E248 R249 Q287 L288 Q289 A823 L827	E248-F291 HydrophobicContact CG-CE1 4.32Å; E248-F291 WeakPolarHBondContact O-CZ 3.33Å; R249-F291 WeakPolarHBondContact O-CZ 3.47Å; Q287-F291 HydrophobicContact CB-CE2 4.15Å; Q287-F291 HydrophobicContact CB-CZ 4.41Å; Q287-F291 VanDerWaalsContact O-CD2 3.25Å; Q287-F291 WeakPolarHBondContact O-CD2 3.36Å; Q287-F291 VanDerWaalsContact O-CG 3.26Å; Q287-F291 WeakPolarHBondContact O-CG 3.2Å; Q287-F291 PolarHBondContact O-N 3.33Å; L288-F291 PolarHBondContact O-N 3.26Å; Q289-F291 VanDerWaalsContact C-N 3.27Å; Q289-F291 PolarHBondContact O-N 3.33Å; F291-A823 HydrophobicContact CB-CB 4.47Å; F291-A823 HydrophobicContact CD2-CB 3.44Å; F291-A823 VanDerWaalsContact CD2-CB 3.44Å; F291-A823 HydrophobicContact CE2-CB 3.93Å; F291-A823 HydrophobicContact CG-CB 4.2Å; F291-L827 HydrophobicContact CB-CD1 3.88Å; F291-L827 WeakPolarHBondContact O-CD1 3.39Å
292	G	98.2	Very high	98.8	Very high	6 Å²	6	18.3 Å²	18.3	6%	0.062	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	21	177	0	0	0	0	0	114.3	K268 T269 L288 Q289 S290	K268-G292 CarbonylContact C-O 3.28Å; K268-G292 WeakPolarHBondContact CA-O 3.29Å; K268-G292 WeakPolarHBondContact CB-O 2.97Å; T269-G292 PolarHBondContact N-O 3.27Å; L288-G292 PolarHBondContact O-N 3.37Å; Q289-G292 PolarHBondContact O-N 2.91Å; S290-G292 PolarHBondContact O-N 3.16Å
293	M	98.8	Very high	98.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.108	C	C	.	.			trans	-87	156.5	174.8	-54	-167	77	0	0	112.1	T269 V272 L288 V295 I822 F826 L827	T269-M293 WeakPolarHBondContact O-CA 3.24Å; T269-M293 WeakPolarHBondContact O-CG 3.45Å; V272-M293 HydrophobicContact CG2-CE 3.79Å; V272-M293 HydrophobicContact CG2-SD 4.28Å; L288-M293 HydrophobicContact CB-CB 4.44Å; L288-M293 HydrophobicContact CD2-SD 3.54Å; L288-M293 VanDerWaalsContact CD2-SD 3.54Å; L288-M293 WeakPolarHBondContact O-CB 3.39Å; L288-M293 PolarHBondContact O-N 2.84Å; M293-V295 HydrophobicContact CB-CG2 4.33Å; M293-I822 HydrophobicContact CE-CG2 4.32Å; M293-I822 HydrophobicContact SD-CG2 4.2Å; M293-F826 HydrophobicContact CE-CB 3.87Å; M293-F826 HydrophobicContact CE-CG 4.49Å; M293-L827 HydrophobicContact CE-CD2 4.42Å; M293-L827 HydrophobicContact CG-CD1 3.9Å; M293-L827 HydrophobicContact CG-CD2 4.26Å; M293-L827 HydrophobicContact CG-CG 4.37Å; M293-L827 HydrophobicContact SD-CD1 4.17Å; M293-L827 HydrophobicContact SD-CG 4.29Å
294	D	98.8	Very high	98.7	Very high	50 Å²	50	22.9 Å²	22.9	27%	0.267	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.7	169.9	-165.9	27.9	0	0	0	110.9	K268 G270 K271 V272	K268-D294 HydrophobicContact CB-CB 4.08Å; K268-D294 HydrophobicContact CD-CB 3.62Å; K268-D294 IonicContact NZ-OD1 2.73Å; K268-D294 PolarHBondContact NZ-OD1 3.15Å; G270-D294 PolarHBondContact O-N 3.33Å; K271-D294 CarbonylContact C-O 3.58Å; K271-D294 WeakPolarHBondContact CA-O 3.44Å; K271-D294 HydrophobicContact CD-CB 3.8Å; K271-D294 WeakPolarHBondContact CD-OD2 3.44Å; K271-D294 WeakPolarHBondContact CE-OD2 3.23Å; K271-D294 IonicContact NZ-OD1 2.68Å; K271-D294 IonicContact NZ-OD2 3.4Å; K271-D294 PolarHBondContact NZ-OD2 3.49Å; V272-D294 PolarHBondContact N-O 2.87Å
295	V	98.9	Very high	98.7	Very high	9 Å²	9	23 Å²	23	6%	0.055	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.5	-170.6	-171.4	0	0	0	0	109.7	V272 I274 A285 L288 M293	V272-V295 WeakPolarHBondContact O-CA 3.36Å; I274-V295 HydrophobicContact CD1-CG1 3.53Å; I274-V295 HydrophobicContact CG1-CG1 3.91Å; A285-V295 HydrophobicContact CB-CG1 4.04Å; L288-V295 HydrophobicContact CB-CG2 3.56Å; M293-V295 HydrophobicContact CB-CG2 4.33Å
296	T	98.9	Very high	98.7	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.6	169.5	-59.8	0	0	0	0	109.2	K271 V272 I273 I274 L298 D580 K582	K271-T296 PolarHBondContact NZ-OG1 2.82Å; V272-T296 PolarHBondContact O-N 2.79Å; V272-T296 VanDerWaalsContact O-N 3.14Å; I273-T296 WeakPolarHBondContact CA-O 3.41Å; I273-T296 HydrophobicContact CD1-CG2 4.34Å; I274-T296 PolarHBondContact N-O 3.32Å; T296-L298 HydrophobicContact CG2-CD2 4.08Å; T296-D580 WeakPolarHBondContact CA-O 3.32Å; T296-D580 WeakPolarHBondContact CB-OD2 3.37Å; T296-D580 VanDerWaalsContact CG2-OD2 3.26Å; T296-D580 WeakPolarHBondContact CG2-OD2 3.37Å; T296-D580 PolarHBondContact OG1-OD2 3.36Å; T296-K582 HydrophobicContact CG2-CG 3.82Å
297	V	98.9	Very high	98.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.4	177.2	-175.2	0	0	0	0	109.5	I274 G276 A285 D580 I581 K582	I274-V297 HydrophobicContact CB-CG2 4.24Å; I274-V297 CarbonylContact O-C 3.59Å; I274-V297 WeakPolarHBondContact O-CA 3.45Å; G276-V297 WeakPolarHBondContact O-CG1 3.3Å; A285-V297 HydrophobicContact CB-CG2 3.85Å; V297-D580 PolarHBondContact N-O 3.26Å; V297-I581 HydrophobicContact CB-CB 4.49Å; V297-I581 HydrophobicContact CB-CG1 4.16Å; V297-I581 HydrophobicContact CB-CG2 4.32Å; V297-I581 HydrophobicContact CG1-CG2 4.48Å; V297-I581 HydrophobicContact CG2-CG1 4.39Å; V297-K582 PolarHBondContact O-N 3.48Å
298	L	98.9	Very high	98.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.6	174.9	-51.9	-177.3	0	0	0	109.2	I273 I274 G276 T296 K582 T585 V587 V599 Y613	I273-L298 HydrophobicContact CG2-CD1 3.68Å; I273-L298 HydrophobicContact CG2-CG 3.94Å; I274-L298 PolarHBondContact O-N 2.93Å; G276-L298 PolarHBondContact N-O 3.43Å; T296-L298 HydrophobicContact CG2-CD2 4.08Å; L298-K582 HydrophobicContact CD2-CB 3.86Å; L298-K582 HydrophobicContact CD2-CG 3.9Å; L298-T585 HydrophobicContact CB-CG2 4.41Å; L298-T585 HydrophobicContact CD2-CG2 4.19Å; L298-V587 HydrophobicContact CB-CG2 4.05Å; L298-V587 HydrophobicContact CD1-CG2 3.79Å; L298-V599 HydrophobicContact CD1-CB 4.41Å; L298-V599 HydrophobicContact CD1-CG1 3.8Å; L298-Y613 HydrophobicContact CD1-CD2 3.67Å; L298-Y613 HydrophobicContact CD1-CE2 3.92Å; L298-Y613 HydrophobicContact CD1-CG 4.24Å; L298-Y613 HydrophobicContact CD2-CD1 4.32Å; L298-Y613 HydrophobicContact CD2-CD2 4.06Å; L298-Y613 HydrophobicContact CD2-CE1 3.99Å; L298-Y613 HydrophobicContact CD2-CE2 3.69Å; L298-Y613 HydrophobicContact CD2-CG 4.35Å; L298-Y613 HydrophobicContact CG-CE2 4.49Å
299	E	98.9	Very high	98.7	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.056	13%	0.125	C	C	.	.			trans	-123.7	127	-177.3	172.5	51.3	-121.2	0	0	110	G277 R301 R303 K582 L583 N584 T585	G277-E299 WeakPolarHBondContact CA-OE2 3.27Å; G277-E299 PolarHBondContact N-OE2 2.83Å; E299-R301 HydrophobicContact CG-CB 4.25Å; E299-R301 VanDerWaalsContact OE1-CB 3.23Å; E299-R301 WeakPolarHBondContact OE1-CB 3.39Å; E299-R301 VanDerWaalsContact OE1-CG 3.26Å; E299-R301 WeakPolarHBondContact OE1-CG 3.43Å; E299-R301 PolarHBondContact OE1-N 2.75Å; E299-R303 WeakPolarHBondContact CG-O 3.44Å; E299-K582 PolarHBondContact N-O 2.69Å; E299-L583 HydrophobicContact CB-CD2 3.95Å; E299-L583 HydrophobicContact CG-CD2 3.8Å; E299-L583 CarbonylContact O-C 3.56Å; E299-L583 VanDerWaalsContact O-C 3.28Å; E299-L583 WeakPolarHBondContact O-CA 3.38Å; E299-N584 PolarHBondContact O-N 3.19Å; E299-T585 CarbonylContact C-O 3.59Å; E299-T585 PolarHBondContact O-N 3.09Å
300	A	98.8	Very high	98.7	Very high	15 Å²	15	23.7 Å²	23.7	12%	0.124	12%	0.124	C	C	.	.	S	Bend	trans	-71.1	-33.5	-177.1	0	0	0	0	0	112.2	N584 A586 T604 W753	A300-N584 WeakPolarHBondContact O-CA 3.47Å; A300-A586 HydrophobicContact CB-CB 4.07Å; A300-T604 HydrophobicContact CB-CG2 4.49Å; A300-T604 VanDerWaalsContact O-CG2 3.23Å; A300-T604 WeakPolarHBondContact O-CG2 3.44Å; A300-T604 PolarHBondContact O-OG1 3.47Å; A300-W753 HydrophobicContact CB-CD2 3.58Å; A300-W753 HydrophobicContact CB-CE3 3.48Å; A300-W753 VanDerWaalsContact CB-CE3 3.48Å; A300-W753 HydrophobicContact CB-CG 4.19Å; A300-W753 HydrophobicContact CB-CH2 4.07Å; A300-W753 HydrophobicContact CB-CZ2 4.18Å; A300-W753 HydrophobicContact CB-CZ3 3.74Å
301	R	98.8	Very high	98.7	Very high	27 Å²	27	24.9 Å²	24.9	10%	0.102	13%	0.128	C	C	.	.	S	Bend	trans	-75	167.8	178.2	-60	173.4	-173.7	-87.3	6.2	111.5	E299 R303 N584 D751 W753	E299-R301 HydrophobicContact CG-CB 4.25Å; E299-R301 VanDerWaalsContact OE1-CB 3.23Å; E299-R301 WeakPolarHBondContact OE1-CB 3.39Å; E299-R301 VanDerWaalsContact OE1-CG 3.26Å; E299-R301 WeakPolarHBondContact OE1-CG 3.43Å; E299-R301 PolarHBondContact OE1-N 2.75Å; R301-R303 HydrophobicContact CB-CG 4.25Å; R301-R303 PolarHBondContact O-N 2.96Å; R301-N584 PolarHBondContact O-N 2.87Å; R301-D751 IonicContact CZ-OD1 2.68Å; R301-D751 IonicContact CZ-OD2 3.54Å; R301-D751 IonicContact NH1-OD1 2.83Å; R301-D751 PolarHBondContact NH1-OD1 2.74Å; R301-D751 IonicContact NH1-OD2 2.96Å; R301-D751 PolarHBondContact NH1-OD2 3.24Å; R301-D751 IonicContact NH2-OD1 3.74Å; R301-D751 PolarHBondContact NH2-OD1 2.78Å; R301-D751 IonicContact NH2-OD2 2.69Å; R301-D751 PolarHBondContact NH2-OD2 2.92Å; R301-W753 HydrophobicContact CG-CB 4.38Å; R301-W753 HydrophobicContact CG-CG 4.15Å
302	D	98.6	Very high	98.8	Very high	117 Å²	117	29 Å²	29	63%	0.626	14%	0.142	S	C	*	.	S	Bend	trans	-83	9	170.4	62.1	-18.1	0	0	0	113.2
303	R	98.8	Very high	98.7	Very high	76 Å²	76	33.5 Å²	33.5	29%	0.287	16%	0.16	S	C	.	.	S	Bend	trans	-147.2	159.7	-179.6	62.7	171.2	-176.6	78.5	2.3	111.8	E299 R301 G306 V308	E299-R303 WeakPolarHBondContact CG-O 3.44Å; R301-R303 HydrophobicContact CB-CG 4.25Å; R301-R303 PolarHBondContact O-N 2.96Å; R303-G306 PolarHBondContact NH1-O 3.13Å; R303-G306 PolarHBondContact NH2-O 2.92Å; R303-V308 PolarHBondContact NH1-O 3.06Å
304	V	98.8	Very high	98.6	Very high	25 Å²	25	37.1 Å²	37.1	15%	0.152	20%	0.198	C	C	.	.	S	Bend	trans	-82.3	176.1	167	-62.6	0	0	0	0	111.9	L282 G306 P572 V573 A576 I581 L583	L282-V304 HydrophobicContact CD1-CB 4.26Å; V304-G306 PolarHBondContact O-N 3.29Å; V304-P572 HydrophobicContact CG2-CB 4.45Å; V304-V573 HydrophobicContact CG2-CG2 4.08Å; V304-A576 HydrophobicContact CG1-CB 4.14Å; V304-A576 HydrophobicContact CG2-CB 4.27Å; V304-I581 HydrophobicContact CG1-CD1 3.79Å; V304-I581 HydrophobicContact CG1-CG2 4.35Å; V304-L583 HydrophobicContact CG1-CD2 4.26Å
305	G	98.6	Very high	98.4	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	94.5	-23.8	173.2	0	0	0	0	0	114.8	G277 R307 V308 P572	G277-G305 PolarHBondContact O-N 2.88Å; G305-R307 PolarHBondContact O-N 2.71Å; G305-V308 CarbonylContact C-O 3.49Å; G305-V308 PolarHBondContact O-N 3.1Å; G305-P572 VanDerWaalsContact CA-CB 3.47Å
306	G	98.6	Very high	98.4	Very high	11 Å²	11	43.6 Å²	43.6	11%	0.113	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-112.6	178.8	0	0	0	0	0	111.6	R303 V304 V308	R303-G306 PolarHBondContact NH1-O 3.13Å; R303-G306 PolarHBondContact NH2-O 2.92Å; V304-G306 PolarHBondContact O-N 3.29Å; G306-V308 VanDerWaalsContact C-N 3.25Å; G306-V308 PolarHBondContact O-N 3.33Å
307	R	98.8	Very high	98.4	Very high	51 Å²	51	44.7 Å²	44.7	19%	0.192	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.3	176.8	-72.6	175.3	-78	174.7	-1.1	114.5	G305 A309 G321 A322 W748 A754 S757 E798	G305-R307 PolarHBondContact O-N 2.71Å; R307-A309 PolarHBondContact O-N 3.32Å; R307-G321 VanDerWaalsContact O-CA 3.23Å; R307-G321 WeakPolarHBondContact O-CA 3.49Å; R307-A322 PolarHBondContact O-N 3.05Å; R307-W748 HydrophobicContact CB-CH2 4.37Å; R307-W748 HydrophobicContact CB-CZ3 4.37Å; R307-W748 HydrophobicContact CG-CE3 4.25Å; R307-W748 HydrophobicContact CG-CH2 4.26Å; R307-W748 HydrophobicContact CG-CZ3 3.77Å; R307-A754 HydrophobicContact CG-CB 4.43Å; R307-S757 WeakPolarHBondContact CD-O 3.17Å; R307-S757 PolarHBondContact NH1-O 3.41Å; R307-E798 IonicContact CZ-OE1 3.56Å; R307-E798 IonicContact NH1-OE1 2.67Å; R307-E798 PolarHBondContact NH1-OE1 2.86Å; R307-E798 IonicContact NH2-OE1 3.98Å; R307-E798 PolarHBondContact NH2-OE1 3.25Å
308	V	98.9	Very high	98.3	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	24%	0.236	C	C	.	.			trans	-87.5	98.6	160.1	-175.1	0	0	0	0	107	V279 R303 G305 G306 A322 Y568 P572 V808	V279-V308 HydrophobicContact CG2-CG2 3.79Å; R303-V308 PolarHBondContact NH1-O 3.06Å; G305-V308 CarbonylContact C-O 3.49Å; G305-V308 PolarHBondContact O-N 3.1Å; G306-V308 VanDerWaalsContact C-N 3.25Å; G306-V308 PolarHBondContact O-N 3.33Å; V308-A322 HydrophobicContact CG2-CB 4.29Å; V308-Y568 HydrophobicContact CG1-CD2 3.83Å; V308-Y568 HydrophobicContact CG1-CG 4.06Å; V308-P572 HydrophobicContact CB-CG 4.2Å; V308-P572 HydrophobicContact CG1-CG 3.98Å; V308-V808 HydrophobicContact CG2-CG2 3.93Å
309	A	98.9	Very high	98.3	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.041	24%	0.235	C	C	.	.			trans	-131.9	117	-171.6	0	0	0	0	0	110.4	R307 L320 G321 W748	R307-A309 PolarHBondContact O-N 3.32Å; A309-L320 HydrophobicContact CB-CB 4.29Å; A309-L320 WeakPolarHBondContact O-CB 3.47Å; A309-L320 PolarHBondContact O-N 3.35Å; A309-G321 PolarHBondContact O-N 3.02Å; A309-W748 HydrophobicContact CB-CH2 3.97Å; A309-W748 HydrophobicContact CB-CZ2 4.21Å
310	T	98.9	Very high	98.3	Very high	27 Å²	27	45.5 Å²	45.5	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.4	-179.5	-50.5	0	0	0	0	109.8	R312 V317 A318 D319 Y568 S569	T310-R312 HydrophobicContact CG2-CG 4Å; T310-V317 HydrophobicContact CG2-CG1 3.6Å; T310-A318 CarbonylContact C-O 3.58Å; T310-D319 WeakPolarHBondContact CB-OD1 3.35Å; T310-D319 PolarHBondContact OG1-OD1 3.01Å; T310-Y568 PolarHBondContact OG1-N 3.46Å; T310-S569 WeakPolarHBondContact OG1-CB 3.31Å; T310-S569 PolarHBondContact OG1-N 3.37Å; T310-S569 PolarHBondContact OG1-OG 2.86Å
311	F	98.6	Very high	98.3	Very high	38 Å²	38	45.4 Å²	45.4	17%	0.167	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.1	165.6	170.5	-108.8	0	0	0	109.9	K313 V317 A318 L320 V744	F311-K313 HydrophobicContact CE1-CB 4.08Å; F311-K313 HydrophobicContact CE2-CB 3.97Å; F311-K313 HydrophobicContact CZ-CB 3.47Å; F311-K313 VanDerWaalsContact CZ-CB 3.47Å; F311-K313 HydrophobicContact CZ-CD 4.14Å; F311-K313 HydrophobicContact CZ-CG 4.45Å; F311-V317 WeakPolarHBondContact O-CA 3.45Å; F311-A318 PolarHBondContact N-O 2.76Å; F311-A318 PolarHBondContact O-N 3.41Å; F311-L320 HydrophobicContact CB-CD1 4.25Å; F311-L320 HydrophobicContact CB-CD2 4.18Å; F311-L320 HydrophobicContact CB-CG 4.12Å; F311-V744 HydrophobicContact CD1-CG2 4.16Å; F311-V744 HydrophobicContact CD2-CG2 3.67Å; F311-V744 HydrophobicContact CE1-CG2 4.15Å; F311-V744 HydrophobicContact CE2-CG2 3.65Å; F311-V744 HydrophobicContact CG-CG2 3.92Å; F311-V744 HydrophobicContact CZ-CG2 3.88Å
312	R	98.6	Very high	98.3	Very high	120 Å²	120	45.5 Å²	45.5	45%	0.453	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.2	176.8	-61.3	-177.2	-175.4	-86.7	-2.5	109.5	T310 Y316 V317 N566 G567 S569	T310-R312 HydrophobicContact CG2-CG 4Å; R312-Y316 WeakPolarHBondContact CA-O 3.24Å; R312-V317 HydrophobicContact CG-CG2 4.49Å; R312-N566 VanDerWaalsContact CZ-O 3.31Å; R312-N566 PolarHBondContact NH1-O 2.96Å; R312-N566 PolarHBondContact NH2-O 2.67Å; R312-G567 PolarHBondContact NH2-O 2.87Å; R312-S569 PolarHBondContact NE-OG 3.49Å; R312-S569 PolarHBondContact NH2-OG 2.67Å
313	K	97.9	Very high	98.3	Very high	101 Å²	101	40.3 Å²	40.3	44%	0.439	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	116.5	172.7	-167.9	176.5	-174.7	-171.7	0	110.1	F311 N315 Y316 E742	F311-K313 HydrophobicContact CE1-CB 4.08Å; F311-K313 HydrophobicContact CE2-CB 3.97Å; F311-K313 HydrophobicContact CZ-CB 3.47Å; F311-K313 VanDerWaalsContact CZ-CB 3.47Å; F311-K313 HydrophobicContact CZ-CD 4.14Å; F311-K313 HydrophobicContact CZ-CG 4.45Å; K313-N315 PolarHBondContact O-N 3.03Å; K313-Y316 PolarHBondContact N-O 3.12Å; K313-Y316 WeakPolarHBondContact O-CB 3.35Å; K313-Y316 PolarHBondContact O-N 3.08Å; K313-E742 HydrophobicContact CD-CG 4.08Å; K313-E742 WeakPolarHBondContact CD-OE2 3.43Å; K313-E742 VanDerWaalsContact CE-OE1 3.29Å; K313-E742 WeakPolarHBondContact CE-OE1 3.39Å; K313-E742 IonicContact NZ-OE1 3.68Å; K313-E742 PolarHBondContact NZ-OE1 3.05Å; K313-E742 IonicContact NZ-OE2 3.57Å; K313-E742 PolarHBondContact NZ-OE2 2.79Å
314	G	96.3	Very high	98.3	Very high	78 Å²	78	38.6 Å²	38.6	80%	0.804	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	-124.5	-170.5	0	0	0	0	0	110.8
315	N	94.6	Very high	98.2	Very high	154 Å²	154	37.5 Å²	37.5	82%	0.824	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.2	178.3	-62.9	-21.5	0	0	0	113.7	K313	K313-N315 PolarHBondContact O-N 3.03Å
316	Y	98.1	Very high	98.2	Very high	41 Å²	41	39.3 Å²	39.3	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.4	179.9	-57.3	-54.4	0	0	0	110.9	R312 K313 C662 F663 A697 P698 I699 E742	R312-Y316 WeakPolarHBondContact CA-O 3.24Å; K313-Y316 PolarHBondContact N-O 3.12Å; K313-Y316 WeakPolarHBondContact O-CB 3.35Å; K313-Y316 PolarHBondContact O-N 3.08Å; Y316-C662 HydrophobicContact CD1-CB 3.84Å; Y316-C662 HydrophobicContact CD2-CB 3.74Å; Y316-C662 HydrophobicContact CE1-CB 3.78Å; Y316-C662 HydrophobicContact CE2-CB 3.69Å; Y316-C662 HydrophobicContact CG-CB 3.83Å; Y316-F663 PolarHBondContact OH-O 3.3Å; Y316-A697 HydrophobicContact CD1-CB 3.86Å; Y316-A697 HydrophobicContact CE1-CB 4.29Å; Y316-P698 HydrophobicContact CE1-CG 4.43Å; Y316-I699 HydrophobicContact CD1-CD1 3.92Å; Y316-I699 HydrophobicContact CD1-CG1 3.82Å; Y316-I699 HydrophobicContact CE1-CG1 4.49Å; Y316-I699 HydrophobicContact CG-CD1 4.36Å; Y316-E742 HydrophobicContact CD2-CG 4.24Å; Y316-E742 HydrophobicContact CE2-CG 4.22Å
317	V	98.5	Very high	98.1	Very high	28 Å²	28	38.8 Å²	38.8	17%	0.17	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.9	174	-178.2	0	0	0	0	107.4	T310 F311 R312 Y695 I699	T310-V317 HydrophobicContact CG2-CG1 3.6Å; F311-V317 WeakPolarHBondContact O-CA 3.45Å; R312-V317 HydrophobicContact CG-CG2 4.49Å; V317-Y695 VanDerWaalsContact O-CD1 3.28Å; V317-Y695 WeakPolarHBondContact O-CD1 3.11Å; V317-I699 WeakPolarHBondContact O-CD1 3.41Å
318	A	98.6	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138.1	178.3	0	0	0	0	0	111.1	T310 F311 V660 Y695 I699	T310-A318 CarbonylContact C-O 3.58Å; F311-A318 PolarHBondContact N-O 2.76Å; F311-A318 PolarHBondContact O-N 3.41Å; A318-V660 HydrophobicContact CB-CB 4.39Å; A318-V660 HydrophobicContact CB-CG1 3.6Å; A318-V660 HydrophobicContact CB-CG2 3.8Å; A318-Y695 HydrophobicContact CB-CE2 4.22Å; A318-I699 HydrophobicContact CB-CD1 4.47Å; A318-I699 HydrophobicContact CB-CG2 4.37Å
319	D	98.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.4	179.7	-73.7	-56.3	0	0	0	111.9	T310 G321 A322 M323 G567 Y568 K658 Y695	T310-D319 WeakPolarHBondContact CB-OD1 3.35Å; T310-D319 PolarHBondContact OG1-OD1 3.01Å; D319-G321 VanDerWaalsContact C-N 3.29Å; D319-A322 WeakPolarHBondContact CB-O 3.26Å; D319-M323 HydrophobicContact CB-CB 3.64Å; D319-G567 WeakPolarHBondContact OD2-CA 3.26Å; D319-Y568 PolarHBondContact OD1-N 2.8Å; D319-Y568 PolarHBondContact OD2-N 3.48Å; D319-Y568 VanDerWaalsContact OD2-N 3.08Å; D319-K658 WeakPolarHBondContact O-CD 3.26Å; D319-K658 PolarHBondContact O-NZ 2.84Å; D319-Y695 WeakPolarHBondContact CB-OH 3.3Å; D319-Y695 PolarHBondContact N-OH 2.93Å; D319-Y695 PolarHBondContact OD2-OH 3.36Å
320	L	98.8	Very high	97.9	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.168	22%	0.218	C	C	.	.	S	Bend	trans	-73.8	-23.9	174.2	-56.8	-175.6	0	0	0	112.1	A309 F311 V660 V744 T746 W748	A309-L320 HydrophobicContact CB-CB 4.29Å; A309-L320 WeakPolarHBondContact O-CB 3.47Å; A309-L320 PolarHBondContact O-N 3.35Å; F311-L320 HydrophobicContact CB-CD1 4.25Å; F311-L320 HydrophobicContact CB-CD2 4.18Å; F311-L320 HydrophobicContact CB-CG 4.12Å; L320-V660 HydrophobicContact CD2-CG2 3.6Å; L320-V744 HydrophobicContact CD1-CG1 3.96Å; L320-V744 HydrophobicContact CD2-CB 4.23Å; L320-V744 HydrophobicContact CD2-CG1 3.73Å; L320-T746 HydrophobicContact CB-CG2 3.63Å; L320-T746 HydrophobicContact CD1-CG2 4.47Å; L320-T746 HydrophobicContact CD2-CG2 3.86Å; L320-T746 HydrophobicContact CG-CG2 4.17Å; L320-W748 PolarHBondContact O-NE1 2.93Å
321	G	98.4	Very high	97.9	Very high	13 Å²	13	37.2 Å²	37.2	13%	0.134	21%	0.21	C	C	.	.	S	Bend	trans	-112	-131	179.9	0	0	0	0	0	112.7	R307 A309 D319 M323 K658	R307-G321 VanDerWaalsContact O-CA 3.23Å; R307-G321 WeakPolarHBondContact O-CA 3.49Å; A309-G321 PolarHBondContact O-N 3.02Å; D319-G321 VanDerWaalsContact C-N 3.29Å; G321-M323 PolarHBondContact O-N 3.07Å; G321-K658 WeakPolarHBondContact O-CE 3.46Å; G321-K658 PolarHBondContact O-NZ 3.32Å
322	A	98.4	Very high	97.9	Very high	28 Å²	28	35.5 Å²	35.5	23%	0.231	20%	0.203	C	C	.	.			trans	-59.7	133.9	174.4	0	0	0	0	0	111.8	R307 V308 D319 Y568 V808	R307-A322 PolarHBondContact O-N 3.05Å; V308-A322 HydrophobicContact CG2-CB 4.29Å; D319-A322 WeakPolarHBondContact CB-O 3.26Å; A322-Y568 HydrophobicContact CB-CD1 4.44Å; A322-Y568 WeakPolarHBondContact O-CB 3.21Å; A322-V808 HydrophobicContact CB-CG2 3.39Å
323	M	97.9	Very high	97.9	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.044	18%	0.181	C	C	.	.			trans	-136.4	-11.2	-180	76.3	-174.9	178	0	0	114.2	D319 G321 T563 V564 K658 W692 L694 L701	D319-M323 HydrophobicContact CB-CB 3.64Å; G321-M323 PolarHBondContact O-N 3.07Å; M323-T563 WeakPolarHBondContact O-CA 3.47Å; M323-T563 PolarHBondContact O-OG1 3.31Å; M323-V564 PolarHBondContact O-N 3.36Å; M323-K658 PolarHBondContact SD-NZ 2.73Å; M323-W692 HydrophobicContact CE-CD2 3.56Å; M323-W692 HydrophobicContact CE-CE3 3.61Å; M323-W692 HydrophobicContact CE-CG 4.24Å; M323-W692 HydrophobicContact CE-CH2 3.69Å; M323-W692 HydrophobicContact CE-CZ2 3.71Å; M323-W692 HydrophobicContact CE-CZ3 3.65Å; M323-L694 HydrophobicContact SD-CD1 4.38Å; M323-L701 HydrophobicContact SD-CD1 4.3Å
324	V	98.6	Very high	97.9	Very high	40 Å²	40	25.6 Å²	25.6	24%	0.242	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.9	-174.3	-177	0	0	0	0	110	T326 I347 H561 L562 W692	V324-T326 HydrophobicContact CG1-CG2 4.25Å; V324-I347 HydrophobicContact CG1-CD1 4.11Å; V324-I347 HydrophobicContact CG2-CD1 4.12Å; V324-H561 HydrophobicContact CG1-CB 4.06Å; V324-L562 CarbonylContact C-O 3.52Å; V324-L562 VanDerWaalsContact CA-O 3.26Å; V324-L562 WeakPolarHBondContact CA-O 3.46Å; V324-W692 HydrophobicContact CG2-CH2 4.07Å; V324-W692 HydrophobicContact CG2-CZ3 4.2Å
325	V	98.7	Very high	98	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.5	163.6	-177.1	0	0	0	0	106.6	G327 L328 M333 M342 L344 L562 V564 Y568	V325-G327 PolarHBondContact O-N 2.66Å; V325-L328 HydrophobicContact CG1-CD2 3.89Å; V325-M333 HydrophobicContact CG1-CB 4.02Å; V325-M342 HydrophobicContact CG2-CE 4.38Å; V325-L344 HydrophobicContact CG2-CD2 3.99Å; V325-L562 PolarHBondContact N-O 3.36Å; V325-L562 PolarHBondContact O-N 2.98Å; V325-V564 HydrophobicContact CG2-CG2 4.13Å; V325-Y568 HydrophobicContact CG2-CE1 3.88Å
326	T	97.1	Very high	98.2	Very high	39 Å²	39	14.9 Å²	14.9	24%	0.239	9%	0.09	C	C	.	.			trans	-83.7	99	-177.8	51.1	0	0	0	0	109.6	V324 N331 F557 H809	V324-T326 HydrophobicContact CG1-CG2 4.25Å; T326-N331 PolarHBondContact O-ND2 3.41Å; T326-N331 VanDerWaalsContact O-ND2 3.11Å; T326-F557 WeakPolarHBondContact O-CB 3.37Å; T326-F557 WeakPolarHBondContact O-CD2 3.47Å; T326-H809 PolarHBondContact OG1-CE1 3.04Å; T326-H809 VanDerWaalsContact OG1-CE1 3.24Å
327	G	96.8	Very high	98.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.092	C	C	.	.			trans	64.3	160.5	-177.6	0	0	0	0	0	114.3	V325 N331 T558 G559	V325-G327 PolarHBondContact O-N 2.66Å; G327-N331 WeakPolarHBondContact O-CB 3.34Å; G327-N331 PolarHBondContact O-ND2 3.49Å; G327-T558 CarbonylContact C-O 3.54Å; G327-T558 VanDerWaalsContact CA-O 3.24Å; G327-T558 WeakPolarHBondContact CA-O 3.36Å; G327-G559 WeakPolarHBondContact CA-O 3.43Å
328	L	97.4	Very high	98.3	Very high	55 Å²	55	18.2 Å²	18.2	29%	0.288	11%	0.107	S	C	.	.	S	Bend	trans	-113.9	-26.7	174.2	-67.2	-178	0	0	0	112.6	Q171 V325 G330 N331 A334 L344 T558 L562	Q171-L328 PolarHBondContact NE2-O 2.82Å; Q171-L328 PolarHBondContact OE1-O 3.25Å; V325-L328 HydrophobicContact CG1-CD2 3.89Å; L328-G330 PolarHBondContact O-N 2.86Å; L328-N331 PolarHBondContact O-N 2.95Å; L328-A334 HydrophobicContact CB-CB 4.29Å; L328-A334 HydrophobicContact CD2-CB 4.13Å; L328-L344 HydrophobicContact CD1-CD1 4.42Å; L328-L344 HydrophobicContact CD2-CD1 4.27Å; L328-T558 PolarHBondContact N-O 2.83Å; L328-L562 HydrophobicContact CD1-CD1 4.09Å; L328-L562 HydrophobicContact CD2-CD1 4.08Å; L328-L562 HydrophobicContact CG-CD1 3.72Å
329	G	97.4	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-68.4	115.1	178.5	0	0	0	0	0	110.9	N331 F557 T558	G329-N331 VanDerWaalsContact C-N 3.27Å; G329-N331 PolarHBondContact O-N 3.22Å; G329-F557 WeakPolarHBondContact O-CA 3.37Å; G329-F557 VanDerWaalsContact O-CB 3.25Å; G329-F557 WeakPolarHBondContact O-CB 2.97Å; G329-F557 VanDerWaalsContact O-CD1 3.29Å; G329-F557 WeakPolarHBondContact O-CD1 3.23Å; G329-T558 WeakPolarHBondContact CA-OG1 3.21Å; G329-T558 PolarHBondContact N-O 3.1Å; G329-T558 PolarHBondContact O-N 3.01Å
330	G	97.3	Very high	98.3	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.031	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-8	-172.6	0	0	0	0	0	114.9	R173 L328 F557	R173-G330 WeakPolarHBondContact CD-O 3.47Å; R173-G330 VanDerWaalsContact CG-O 3.29Å; R173-G330 WeakPolarHBondContact CG-O 3.47Å; R173-G330 PolarHBondContact NH1-O 3.26Å; L328-G330 PolarHBondContact O-N 2.86Å; G330-F557 VanDerWaalsContact C-CD1 3.43Å; G330-F557 WeakPolarHBondContact O-CE1 3.45Å
331	N	98.7	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.			trans	-84.7	125	-175.4	-163.9	-31.3	0	0	0	112	Q171 T326 G327 L328 G329 M333 A334 F557 H809	Q171-N331 PolarHBondContact NE2-O 3.29Å; T326-N331 PolarHBondContact O-ND2 3.41Å; T326-N331 VanDerWaalsContact O-ND2 3.11Å; G327-N331 WeakPolarHBondContact O-CB 3.34Å; G327-N331 PolarHBondContact O-ND2 3.49Å; L328-N331 PolarHBondContact O-N 2.95Å; G329-N331 VanDerWaalsContact C-N 3.27Å; G329-N331 PolarHBondContact O-N 3.22Å; N331-M333 PolarHBondContact O-N 3.42Å; N331-M333 VanDerWaalsContact O-N 3.15Å; N331-M333 VanDerWaalsContact OD1-CB 3.26Å; N331-M333 WeakPolarHBondContact OD1-CB 2.93Å; N331-M333 WeakPolarHBondContact OD1-CG 3.49Å; N331-M333 PolarHBondContact OD1-N 2.74Å; N331-A334 VanDerWaalsContact O-CB 3.25Å; N331-A334 WeakPolarHBondContact O-CB 3.25Å; N331-A334 PolarHBondContact O-N 2.87Å; N331-F557 HydrophobicContact CB-CB 4.43Å; N331-F557 HydrophobicContact CB-CD1 4.37Å; N331-F557 HydrophobicContact CB-CD2 3.51Å; N331-F557 HydrophobicContact CB-CE2 3.72Å; N331-F557 HydrophobicContact CB-CG 3.86Å; N331-F557 HydrophobicContact CB-CZ 4.27Å; N331-F557 VanDerWaalsContact CG-CE2 3.48Å; N331-F557 WeakPolarHBondContact ND2-CD2 3.26Å; N331-H809 WeakPolarHBondContact OD1-CB 3.44Å
332	P	98.8	Very high	98.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-17.4	176.1	29.9	-37.8	0	0	0	113	F255 A334 V335 V336 H809 L812 L813	F255-P332 HydrophobicContact CE2-CB 4.33Å; F255-P332 HydrophobicContact CZ-CB 4.25Å; P332-A334 PolarHBondContact O-N 2.99Å; P332-V335 WeakPolarHBondContact O-CB 3.45Å; P332-V335 PolarHBondContact O-N 3.23Å; P332-V336 PolarHBondContact O-N 2.96Å; P332-H809 HydrophobicContact CG-CB 3.87Å; P332-L812 HydrophobicContact CB-CD2 3.67Å; P332-L812 HydrophobicContact CG-CD2 3.84Å; P332-L813 HydrophobicContact CB-CD2 4.34Å; P332-L813 HydrophobicContact CG-CD1 4.2Å; P332-L813 HydrophobicContact CG-CD2 4.04Å; P332-L813 HydrophobicContact CG-CG 3.98Å
333	M	98.8	Very high	98.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-22	171.7	-65	-55.6	-49.7	0	0	112.7	V325 N331 V335 V336 S337 M342 Y568 V571 V808 H809	V325-M333 HydrophobicContact CG1-CB 4.02Å; N331-M333 PolarHBondContact O-N 3.42Å; N331-M333 VanDerWaalsContact O-N 3.15Å; N331-M333 VanDerWaalsContact OD1-CB 3.26Å; N331-M333 WeakPolarHBondContact OD1-CB 2.93Å; N331-M333 WeakPolarHBondContact OD1-CG 3.49Å; N331-M333 PolarHBondContact OD1-N 2.74Å; M333-V335 VanDerWaalsContact C-N 3.32Å; M333-V335 PolarHBondContact O-N 3.14Å; M333-V336 HydrophobicContact CE-CB 3.92Å; M333-V336 HydrophobicContact CE-CG1 3.87Å; M333-V336 HydrophobicContact CE-CG2 4.49Å; M333-V336 PolarHBondContact O-N 3.22Å; M333-V336 HydrophobicContact SD-CB 4.46Å; M333-V336 HydrophobicContact SD-CG2 4.45Å; M333-S337 WeakPolarHBondContact O-CB 3.35Å; M333-S337 PolarHBondContact O-N 2.71Å; M333-S337 PolarHBondContact O-OG 3.42Å; M333-M342 HydrophobicContact CE-CE 3.98Å; M333-M342 HydrophobicContact CE-SD 4.13Å; M333-Y568 HydrophobicContact CE-CE2 4Å; M333-V571 HydrophobicContact CE-CG1 4.17Å; M333-V571 HydrophobicContact CE-CG2 4.07Å; M333-V808 HydrophobicContact SD-CG1 4.08Å; M333-H809 HydrophobicContact CG-CB 4.05Å
334	A	98.6	Very high	98.2	Very high	13 Å²	13	29.2 Å²	29.2	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-60.5	-43.5	171.7	0	0	0	0	0	111	L328 N331 P332 S337 K338	L328-A334 HydrophobicContact CB-CB 4.29Å; L328-A334 HydrophobicContact CD2-CB 4.13Å; N331-A334 VanDerWaalsContact O-CB 3.25Å; N331-A334 WeakPolarHBondContact O-CB 3.25Å; N331-A334 PolarHBondContact O-N 2.87Å; P332-A334 PolarHBondContact O-N 2.99Å; A334-S337 PolarHBondContact O-N 3.43Å; A334-S337 PolarHBondContact O-OG 3.37Å; A334-K338 PolarHBondContact O-N 3.4Å
335	V	98.8	Very high	98.2	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-47.9	174.7	177.9	0	0	0	0	110.6	W212 L213 P216 F255 P332 M333 S337 K338 Q339	W212-V335 HydrophobicContact CZ2-CG1 4.1Å; L213-V335 HydrophobicContact CD2-CG2 3.49Å; L213-V335 VanDerWaalsContact CD2-CG2 3.49Å; P216-V335 HydrophobicContact CB-CG1 3.6Å; P216-V335 HydrophobicContact CG-CG1 4.26Å; F255-V335 HydrophobicContact CE1-CB 4.42Å; F255-V335 HydrophobicContact CE1-CG1 4.11Å; F255-V335 HydrophobicContact CE1-CG2 4.31Å; F255-V335 HydrophobicContact CE2-CB 4.06Å; F255-V335 HydrophobicContact CE2-CG1 3.96Å; F255-V335 HydrophobicContact CZ-CB 3.59Å; F255-V335 HydrophobicContact CZ-CG1 3.6Å; F255-V335 HydrophobicContact CZ-CG2 3.77Å; P332-V335 WeakPolarHBondContact O-CB 3.45Å; P332-V335 PolarHBondContact O-N 3.23Å; M333-V335 VanDerWaalsContact C-N 3.32Å; M333-V335 PolarHBondContact O-N 3.14Å; V335-S337 VanDerWaalsContact C-N 3.29Å; V335-S337 PolarHBondContact O-N 3.07Å; V335-K338 WeakPolarHBondContact O-CB 2.99Å; V335-K338 PolarHBondContact O-N 2.9Å; V335-K338 VanDerWaalsContact O-N 3.11Å; V335-Q339 WeakPolarHBondContact O-CG 3.4Å; V335-Q339 PolarHBondContact O-N 2.8Å
336	V	98.8	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-36.5	179.9	178.5	0	0	0	0	111.7	F255 P332 M333 K338 Q339 V340 M342 V571 L812	F255-V336 HydrophobicContact CE2-CG2 4.43Å; P332-V336 PolarHBondContact O-N 2.96Å; M333-V336 HydrophobicContact CE-CB 3.92Å; M333-V336 HydrophobicContact CE-CG1 3.87Å; M333-V336 HydrophobicContact CE-CG2 4.49Å; M333-V336 PolarHBondContact O-N 3.22Å; M333-V336 HydrophobicContact SD-CB 4.46Å; M333-V336 HydrophobicContact SD-CG2 4.45Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 3.16Å; V336-Q339 CarbonylContact O-C 3.51Å; V336-Q339 WeakPolarHBondContact O-CB 3.15Å; V336-Q339 PolarHBondContact O-N 2.88Å; V336-V340 HydrophobicContact CG1-CG2 4.04Å; V336-V340 PolarHBondContact O-N 2.78Å; V336-M342 HydrophobicContact CG1-SD 4.35Å; V336-V571 HydrophobicContact CG1-CG1 3.92Å; V336-V571 HydrophobicContact CG1-CG2 4.27Å; V336-L812 HydrophobicContact CG2-CD1 4.34Å
337	S	98.6	Very high	98.2	Very high	29 Å²	29	32.5 Å²	32.5	20%	0.203	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-25.2	176.9	77	0	0	0	0	113.5	M333 A334 V335 V340 M342	M333-S337 WeakPolarHBondContact O-CB 3.35Å; M333-S337 PolarHBondContact O-N 2.71Å; M333-S337 PolarHBondContact O-OG 3.42Å; A334-S337 PolarHBondContact O-N 3.43Å; A334-S337 PolarHBondContact O-OG 3.37Å; V335-S337 VanDerWaalsContact C-N 3.29Å; V335-S337 PolarHBondContact O-N 3.07Å; S337-V340 CarbonylContact C-O 3.57Å; S337-M342 VanDerWaalsContact CA-SD 3.59Å
338	K	98.6	Very high	98.1	Very high	111 Å²	111	37.5 Å²	37.5	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-77.1	-25.5	170.6	-67.2	174	177.7	-179.6	0	111.7	L213 P216 K217 A334 V335 V336	L213-K338 PolarHBondContact O-NZ 2.85Å; P216-K338 HydrophobicContact CG-CB 3.87Å; P216-K338 HydrophobicContact CG-CD 3.85Å; K217-K338 WeakPolarHBondContact CE-O 2.89Å; A334-K338 PolarHBondContact O-N 3.4Å; V335-K338 WeakPolarHBondContact O-CB 2.99Å; V335-K338 PolarHBondContact O-N 2.9Å; V335-K338 VanDerWaalsContact O-N 3.11Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 3.16Å
339	Q	98.7	Very high	97.8	Very high	29 Å²	29	40.9 Å²	40.9	14%	0.136	20%	0.203	C	C	.	.	H	α-helix	trans	-90.9	-34.6	-177.1	-66.7	172.9	-16.2	0	0	113	P216 F255 I257 V335 V336	P216-Q339 HydrophobicContact CB-CG 4.44Å; P216-Q339 PolarHBondContact O-NE2 2.98Å; F255-Q339 PolarHBondContact O-NE2 3.04Å; I257-Q339 HydrophobicContact CB-CB 4.3Å; I257-Q339 WeakPolarHBondContact O-CB 3.26Å; I257-Q339 WeakPolarHBondContact O-CG 3.28Å; V335-Q339 WeakPolarHBondContact O-CG 3.4Å; V335-Q339 PolarHBondContact O-N 2.8Å; V336-Q339 CarbonylContact O-C 3.51Å; V336-Q339 WeakPolarHBondContact O-CB 3.15Å; V336-Q339 PolarHBondContact O-N 2.88Å
340	V	98.4	Very high	97.6	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.097	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	144.1	-179.1	-178.8	0	0	0	0	108.7	I257 V336 S337 M342 C570 A574	I257-V340 HydrophobicContact CD1-CG2 3.42Å; I257-V340 VanDerWaalsContact CD1-CG2 3.42Å; V336-V340 HydrophobicContact CG1-CG2 4.04Å; V336-V340 PolarHBondContact O-N 2.78Å; S337-V340 CarbonylContact C-O 3.57Å; V340-M342 HydrophobicContact CB-CG 4.13Å; V340-M342 HydrophobicContact CG1-CG 4.09Å; V340-M342 PolarHBondContact O-N 2.69Å; V340-C570 HydrophobicContact CG1-CB 4.39Å; V340-A574 HydrophobicContact CG1-CB 4.18Å; V340-A574 HydrophobicContact CG2-CB 3.81Å
341	N	97.8	Very high	97.5	Very high	128 Å²	128	49.3 Å²	49.3	68%	0.684	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	77.5	173.8	-173.1	30.4	0	0	0	111.2	N566	N341-N566 PolarHBondContact O-ND2 3.32Å
342	M	98.4	Very high	97.4	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.089	25%	0.251	C	S	.	.			trans	-92.4	121.1	175.7	-64.6	-179.9	71.3	0	0	109.5	V325 M333 V336 S337 V340 L344 V564 Y568 V571	V325-M342 HydrophobicContact CG2-CE 4.38Å; M333-M342 HydrophobicContact CE-CE 3.98Å; M333-M342 HydrophobicContact CE-SD 4.13Å; V336-M342 HydrophobicContact CG1-SD 4.35Å; S337-M342 VanDerWaalsContact CA-SD 3.59Å; V340-M342 HydrophobicContact CB-CG 4.13Å; V340-M342 HydrophobicContact CG1-CG 4.09Å; V340-M342 PolarHBondContact O-N 2.69Å; M342-L344 HydrophobicContact CB-CD2 4.31Å; M342-L344 HydrophobicContact CB-CG 4.27Å; M342-L344 HydrophobicContact CE-CD2 4.02Å; M342-L344 PolarHBondContact O-N 2.84Å; M342-L344 VanDerWaalsContact O-N 3.11Å; M342-V564 HydrophobicContact CE-CG1 4.31Å; M342-V564 HydrophobicContact CE-CG2 3.65Å; M342-Y568 HydrophobicContact CE-CE2 4.24Å; M342-V571 HydrophobicContact CE-CG2 3.66Å; M342-V571 HydrophobicContact CG-CG2 4.04Å; M342-V571 HydrophobicContact SD-CG2 3.5Å; M342-V571 VanDerWaalsContact SD-CG2 3.5Å
343	E	98.3	Very high	97.4	Very high	72 Å²	72	50.8 Å²	50.8	34%	0.336	25%	0.25	S	S	.	.			trans	-84.7	80.6	173.4	-68.3	-173.2	-164.1	0	0	109.9	R565 N566 K696	E343-R565 HydrophobicContact CB-CB 4.02Å; E343-R565 PolarHBondContact O-N 3.07Å; E343-N566 HydrophobicContact CB-CB 4.21Å; E343-N566 HydrophobicContact CG-CB 4.06Å; E343-N566 PolarHBondContact N-OD1 3.22Å; E343-K696 IonicContact OE1-NZ 3.33Å; E343-K696 IonicContact OE2-NZ 2.74Å; E343-K696 PolarHBondContact OE2-NZ 2.86Å
344	L	98.4	Very high	97.2	Very high	49 Å²	49	53.1 Å²	53.1	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.3	177.7	-61.2	-177.5	0	0	0	111.3	V325 L328 M342 L562 T563 V564	V325-L344 HydrophobicContact CG2-CD2 3.99Å; L328-L344 HydrophobicContact CD1-CD1 4.42Å; L328-L344 HydrophobicContact CD2-CD1 4.27Å; M342-L344 HydrophobicContact CB-CD2 4.31Å; M342-L344 HydrophobicContact CB-CG 4.27Å; M342-L344 HydrophobicContact CE-CD2 4.02Å; M342-L344 PolarHBondContact O-N 2.84Å; M342-L344 VanDerWaalsContact O-N 3.11Å; L344-L562 HydrophobicContact CB-CB 4.32Å; L344-L562 HydrophobicContact CB-CD2 3.89Å; L344-L562 HydrophobicContact CD2-CB 4.47Å; L344-T563 WeakPolarHBondContact CA-O 3.37Å; L344-V564 HydrophobicContact CD2-CG2 3.94Å
345	A	97.9	Very high	96.9	Very high	17 Å²	17	53.8 Å²	53.8	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.1	173.5	0	0	0	0	0	110.5	L562 T563 R565	A345-L562 CarbonylContact O-C 3.49Å; A345-L562 WeakPolarHBondContact O-CA 3.2Å; A345-T563 HydrophobicContact CB-CG2 4.12Å; A345-T563 PolarHBondContact N-O 2.94Å; A345-T563 PolarHBondContact O-N 3.09Å; A345-R565 HydrophobicContact CB-CG 3.95Å
346	K	97.8	Very high	96.1	Very high	122 Å²	122	55.1 Å²	55.1	53%	0.53	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	143.3	174.3	-69.1	-168.7	174.3	-161.5	0	110.3	E158 S560 L562	E158-K346 IonicContact OE1-NZ 3.82Å; K346-S560 PolarHBondContact NZ-OG 2.87Å; K346-L562 HydrophobicContact CG-CD2 4.41Å
347	I	97.3	Very high	94.6	Very high	11 Å²	11	57 Å²	57	6%	0.056	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-96.3	117.9	172.3	-60.9	159.5	0	0	0	107.5	V324 Q349 H561 N673 L674 W692 L694	V324-I347 HydrophobicContact CG1-CD1 4.11Å; V324-I347 HydrophobicContact CG2-CD1 4.12Å; I347-Q349 PolarHBondContact O-N 3.24Å; I347-H561 HydrophobicContact CD1-CB 4.17Å; I347-H561 PolarHBondContact N-O 3.39Å; I347-N673 HydrophobicContact CG2-CB 4.35Å; I347-L674 HydrophobicContact CG2-CD2 3.84Å; I347-W692 HydrophobicContact CD1-CH2 4.47Å; I347-W692 HydrophobicContact CD1-CZ3 3.88Å; I347-W692 HydrophobicContact CG2-CZ3 4.4Å; I347-L694 HydrophobicContact CG1-CD2 4.06Å; I347-L694 HydrophobicContact CG2-CD2 4.49Å
348	K	95.1	Very high	92.4	Very high	105 Å²	105	59.9 Å²	59.9	46%	0.457	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-70.3	127.3	172.6	-64.3	-171.2	173.4	-154.4	0	109.2	K350 N673 L674	K348-K350 VanDerWaalsContact C-N 3.32Å; K348-K350 PolarHBondContact O-N 2.94Å; K348-N673 WeakPolarHBondContact CB-OD1 3.25Å; K348-N673 PolarHBondContact N-OD1 3Å; K348-L674 WeakPolarHBondContact O-CD2 3.34Å
349	Q	91.8	Very high	89.8	Confident	127 Å²	127	60.6 Å²	60.6	59%	0.593	32%	0.322	S	S	*	.			trans	-75.3	-17.3	-172.3	-60.2	-58.1	-22.9	0	0	114.3	I347 C351	I347-Q349 PolarHBondContact O-N 3.24Å; Q349-C351 PolarHBondContact O-N 3.08Å
350	K	92.7	Very high	87.4	Confident	154 Å²	154	64.8 Å²	64.8	67%	0.67	36%	0.362	S	S	*	.			trans	-54.6	115.2	177.4	-176.9	-179.3	179.1	-178.5	0	110.7	K348	K348-K350 VanDerWaalsContact C-N 3.32Å; K348-K350 PolarHBondContact O-N 2.94Å
351	C	96.1	Very high	85.1	Confident	25 Å²	25	67.8 Å²	67.8	17%	0.169	40%	0.396	C	S	.	.			trans	-130.8	87.4	-176.8	-179.6	0	0	0	0	111.1	Q349 L674	Q349-C351 PolarHBondContact O-N 3.08Å; C351-L674 HydrophobicContact CB-CD1 3.56Å; C351-L674 HydrophobicContact CB-CG 3.83Å
352	P	96.6	Very high	83.2	Confident	31 Å²	31	66.3 Å²	66.3	20%	0.201	39%	0.385	C	S	.	.			trans	-65	139	176.4	27.5	-33.8	0	0	0	111.2	Y354 V672 L674 F675 G676	P352-Y354 HydrophobicContact CB-CE2 4.1Å; P352-Y354 HydrophobicContact CG-CE2 4.09Å; P352-V672 HydrophobicContact CG-CG1 4.16Å; P352-L674 WeakPolarHBondContact CD-O 3.31Å; P352-F675 HydrophobicContact CG-CB 3.98Å; P352-F675 WeakPolarHBondContact O-CA 3.22Å; P352-G676 PolarHBondContact O-N 3.1Å
353	L	97.3	Very high	81.9	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.01	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.2	176.9	-55.4	-172.7	0	0	0	111.7	S366 V367 D372 I525 W528 V678	L353-S366 WeakPolarHBondContact O-CA 3.26Å; L353-V367 HydrophobicContact CB-CB 4.01Å; L353-V367 HydrophobicContact CB-CG2 3.59Å; L353-V367 PolarHBondContact O-N 3.04Å; L353-D372 VanDerWaalsContact CD1-OD1 3.25Å; L353-D372 WeakPolarHBondContact CD1-OD1 3.42Å; L353-I525 HydrophobicContact CD1-CG2 4.02Å; L353-W528 HydrophobicContact CD1-CD2 4.17Å; L353-W528 HydrophobicContact CD1-CE3 3.94Å; L353-W528 HydrophobicContact CD1-CZ3 4.36Å; L353-W528 HydrophobicContact CD2-CD2 3.66Å; L353-W528 VanDerWaalsContact CD2-CE2 3.42Å; L353-W528 HydrophobicContact CD2-CE3 3.85Å; L353-W528 HydrophobicContact CD2-CG 4.39Å; L353-W528 HydrophobicContact CD2-CH2 3.68Å; L353-W528 HydrophobicContact CD2-CZ2 3.45Å; L353-W528 VanDerWaalsContact CD2-CZ2 3.45Å; L353-W528 HydrophobicContact CD2-CZ3 3.87Å; L353-V678 HydrophobicContact CB-CG2 4.21Å
354	Y	95.8	Very high	80.9	Confident	51 Å²	51	71.2 Å²	71.2	20%	0.2	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.8	178.1	-63.4	-89.5	0	0	0	111.2	P352 F675 G676 H677 V678 I731	P352-Y354 HydrophobicContact CB-CE2 4.1Å; P352-Y354 HydrophobicContact CG-CE2 4.09Å; Y354-F675 HydrophobicContact CD2-CB 4.45Å; Y354-F675 HydrophobicContact CD2-CD2 4.37Å; Y354-F675 HydrophobicContact CE2-CB 4.04Å; Y354-F675 HydrophobicContact CE2-CD2 4.39Å; Y354-F675 HydrophobicContact CE2-CG 4.49Å; Y354-G676 PolarHBondContact N-O 3.29Å; Y354-H677 WeakPolarHBondContact O-CA 3.42Å; Y354-V678 PolarHBondContact O-N 3.49Å; Y354-I731 HydrophobicContact CD1-CG1 4.28Å; Y354-I731 HydrophobicContact CD1-CG2 3.81Å; Y354-I731 HydrophobicContact CD2-CD1 4.09Å; Y354-I731 HydrophobicContact CD2-CG1 4.44Å; Y354-I731 HydrophobicContact CD2-CG2 4.16Å; Y354-I731 HydrophobicContact CE1-CG2 3.76Å; Y354-I731 HydrophobicContact CE2-CG2 4.11Å; Y354-I731 HydrophobicContact CG-CD1 4.03Å; Y354-I731 HydrophobicContact CG-CG1 3.95Å; Y354-I731 HydrophobicContact CG-CG2 4Å
355	E	91.8	Very high	80.1	Confident	26 Å²	26	72.7 Å²	72.7	12%	0.121	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.9	-178.3	-66.5	171.4	-124.9	0	0	112.5	N357 C364 T365 V367 R521 V678	E355-N357 PolarHBondContact O-N 3.34Å; E355-C364 WeakPolarHBondContact O-CB 3.25Å; E355-C364 PolarHBondContact O-SG 3.29Å; E355-T365 PolarHBondContact N-O 3.29Å; E355-V367 HydrophobicContact CG-CG2 3.75Å; E355-R521 VanDerWaalsContact CD-NE 3.28Å; E355-R521 IonicContact OE1-CZ 3.88Å; E355-R521 VanDerWaalsContact OE1-CZ 3.24Å; E355-R521 IonicContact OE1-NE 2.89Å; E355-R521 PolarHBondContact OE1-NE 3.08Å; E355-R521 IonicContact OE1-NH2 2.71Å; E355-R521 PolarHBondContact OE1-NH2 3.04Å; E355-R521 WeakPolarHBondContact OE2-CD 3.18Å; E355-R521 IonicContact OE2-CZ 3.57Å; E355-R521 IonicContact OE2-NE 3.07Å; E355-R521 PolarHBondContact OE2-NE 3.1Å; E355-R521 IonicContact OE2-NH2 3.51Å; E355-V678 HydrophobicContact CG-CB 4.44Å; E355-V678 HydrophobicContact CG-CG2 4.42Å
356	A	81.6	Confident	79.8	Confident	35 Å²	35	75 Å²	75	29%	0.289	43%	0.428	S	S	.	.			trans	-69.8	105.3	163.6	0	0	0	0	0	109.2	S680	A356-S680 WeakPolarHBondContact CB-OG 3.46Å
357	N	68.9	Low	79.6	Confident	39 Å²	39	69.8 Å²	69.8	21%	0.209	41%	0.406	C	S	.	.			trans	-75	126.8	169.8	52.7	-13.2	0	0	0	109.7	E355 Q359 E362 R363 C364	E355-N357 PolarHBondContact O-N 3.34Å; N357-Q359 PolarHBondContact O-N 2.81Å; N357-E362 WeakPolarHBondContact ND2-CA 3.33Å; N357-E362 WeakPolarHBondContact ND2-CB 3.31Å; N357-E362 PolarHBondContact ND2-O 2.86Å; N357-E362 PolarHBondContact OD1-O 2.69Å; N357-R363 PolarHBondContact ND2-N 2.9Å; N357-R363 VanDerWaalsContact ND2-N 3.15Å; N357-R363 PolarHBondContact ND2-O 2.79Å; N357-C364 PolarHBondContact ND2-N 3.31Å
358	G	50.8	Low	79.4	Confident	90 Å²	90	72 Å²	72	93%	0.928	42%	0.421	S	S	*	.	S	Bend	trans	-66.2	14.1	-168	0	0	0	0	0	117.4
359	Q	45	Very low	79.2	Confident	126 Å²	126	74.1 Å²	74.1	59%	0.589	43%	0.43	S	S	*	.	S	Bend	trans	-124.4	131	175.3	-62.9	-164.7	13	0	0	112.1	N357 G361 E362	N357-Q359 PolarHBondContact O-N 2.81Å; Q359-G361 PolarHBondContact O-N 3.22Å; Q359-G361 VanDerWaalsContact O-N 3.12Å; Q359-E362 HydrophobicContact CB-CG 3.96Å; Q359-E362 PolarHBondContact O-N 2.97Å; Q359-E362 PolarHBondContact OE1-OE1 3.45Å
360	A	47.4	Very low	79.3	Confident	117 Å²	117	76 Å²	76	97%	0.967	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	114.8	177.3	0	0	0	0	0	111.1
361	G	50.3	Low	79.4	Confident	79 Å²	79	71.5 Å²	71.5	81%	0.814	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.1	-6.3	175.5	0	0	0	0	0	115.5	Q359	Q359-G361 PolarHBondContact O-N 3.22Å; Q359-G361 VanDerWaalsContact O-N 3.12Å
362	E	58.4	Low	79.2	Confident	97 Å²	97	71.9 Å²	71.9	45%	0.453	42%	0.42	S	S	.	.	S	Bend	trans	-76.8	157.3	170	-71.1	-172.5	162	0	0	110.9	N357 Q359	N357-E362 WeakPolarHBondContact ND2-CA 3.33Å; N357-E362 WeakPolarHBondContact ND2-CB 3.31Å; N357-E362 PolarHBondContact ND2-O 2.86Å; N357-E362 PolarHBondContact OD1-O 2.69Å; Q359-E362 HydrophobicContact CB-CG 3.96Å; Q359-E362 PolarHBondContact O-N 2.97Å; Q359-E362 PolarHBondContact OE1-OE1 3.45Å
363	R	70.3	Confident	79.2	Confident	177 Å²	177	75.2 Å²	75.2	67%	0.668	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-81.1	127.8	179.1	-164.5	-177.7	-169.4	177.3	2.5	112.2	N357 T365 G730	N357-R363 PolarHBondContact ND2-N 2.9Å; N357-R363 VanDerWaalsContact ND2-N 3.15Å; N357-R363 PolarHBondContact ND2-O 2.79Å; R363-T365 PolarHBondContact O-N 3.27Å; R363-G730 CarbonylContact C-O 3.56Å; R363-G730 WeakPolarHBondContact CA-O 3.43Å; R363-G730 VanDerWaalsContact CG-O 3.26Å; R363-G730 WeakPolarHBondContact CG-O 3.3Å
364	C	77.6	Confident	79.2	Confident	15 Å²	15	79 Å²	79	10%	0.101	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-51.3	139.1	173.3	-67.1	0	0	0	0	109.9	E355 N357 G730 I731	E355-C364 WeakPolarHBondContact O-CB 3.25Å; E355-C364 PolarHBondContact O-SG 3.29Å; N357-C364 PolarHBondContact ND2-N 3.31Å; C364-G730 PolarHBondContact N-O 3.18Å; C364-G730 VanDerWaalsContact SG-C 3.53Å; C364-I731 HydrophobicContact CB-CG1 3.85Å
365	T	82.8	Confident	79.3	Confident	81 Å²	81	76.6 Å²	76.6	50%	0.497	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.9	179.2	-52.1	0	0	0	0	108.7	E355 R363	E355-T365 PolarHBondContact N-O 3.29Å; R363-T365 PolarHBondContact O-N 3.27Å
366	S	90.1	Very high	79.6	Confident	66 Å²	66	79.6 Å²	79.6	46%	0.462	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.8	171.7	57.6	0	0	0	0	109.8	L353 P368	L353-S366 WeakPolarHBondContact O-CA 3.26Å; S366-P368 WeakPolarHBondContact O-CD 3.19Å
367	V	93.8	Very high	80.4	Confident	11 Å²	11	84 Å²	84	7%	0.067	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-61.6	127.9	171.5	-179.8	0	0	0	0	108.5	L353 E355 K371 D372 I525 V678	L353-V367 HydrophobicContact CB-CB 4.01Å; L353-V367 HydrophobicContact CB-CG2 3.59Å; L353-V367 PolarHBondContact O-N 3.04Å; E355-V367 HydrophobicContact CG-CG2 3.75Å; V367-K371 HydrophobicContact CG1-CB 3.94Å; V367-D372 HydrophobicContact CG1-CB 4.16Å; V367-I525 HydrophobicContact CG1-CD1 3.78Å; V367-I525 HydrophobicContact CG2-CD1 4.18Å; V367-I525 HydrophobicContact CG2-CG1 4.27Å; V367-V678 HydrophobicContact CG2-CG2 4.34Å
368	P	93.9	Very high	81.8	Confident	58 Å²	58	83.8 Å²	83.8	38%	0.377	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-59.9	140.2	174.4	-24.3	34.2	0	0	0	111.1	S366 E370 K371 D372	S366-P368 WeakPolarHBondContact O-CD 3.19Å; P368-E370 VanDerWaalsContact C-N 3.27Å; P368-E370 PolarHBondContact O-N 2.89Å; P368-K371 WeakPolarHBondContact O-CA 3.39Å; P368-K371 WeakPolarHBondContact O-CB 3.43Å; P368-K371 PolarHBondContact O-N 3.34Å; P368-D372 PolarHBondContact O-N 3.41Å
369	K	91	Very high	84.1	Confident	150 Å²	150	80.5 Å²	80.5	65%	0.652	43%	0.428	S	S	*	.	H	α-helix	trans	-51.2	-43.9	-177.4	-177.2	177.7	171.4	-177.6	0	113.2	K371 D372 E373	K369-K371 VanDerWaalsContact C-N 3.26Å; K369-K371 PolarHBondContact O-N 3.22Å; K369-D372 WeakPolarHBondContact O-CB 3.46Å; K369-D372 PolarHBondContact O-N 3.32Å; K369-E373 WeakPolarHBondContact CE-OE1 3.39Å; K369-E373 HydrophobicContact CG-CG 4.38Å; K369-E373 IonicContact NZ-OE1 3.45Å; K369-E373 WeakPolarHBondContact O-CG 3.46Å; K369-E373 PolarHBondContact O-N 3.33Å
370	E	93.7	Very high	86.6	Confident	165 Å²	165	77.7 Å²	77.7	77%	0.771	42%	0.418	S	S	*	.	H	α-helix	trans	-58.7	-36.4	177.4	-64.6	172.5	-173.5	0	0	112.8	P368 M374	P368-E370 VanDerWaalsContact C-N 3.27Å; P368-E370 PolarHBondContact O-N 2.89Å; E370-M374 WeakPolarHBondContact O-CB 3.43Å; E370-M374 PolarHBondContact O-N 2.73Å; E370-M374 VanDerWaalsContact O-N 3.09Å
371	K	94.2	Very high	89	Confident	60 Å²	60	78.4 Å²	78.4	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-76.6	-38.8	178.2	-78.8	-67.5	-171.2	176.1	0	112	V367 P368 K369 M374 V375 D522	V367-K371 HydrophobicContact CG1-CB 3.94Å; P368-K371 WeakPolarHBondContact O-CA 3.39Å; P368-K371 WeakPolarHBondContact O-CB 3.43Å; P368-K371 PolarHBondContact O-N 3.34Å; K369-K371 VanDerWaalsContact C-N 3.26Å; K369-K371 PolarHBondContact O-N 3.22Å; K371-M374 HydrophobicContact CD-CE 3.8Å; K371-V375 WeakPolarHBondContact O-CB 3.47Å; K371-V375 VanDerWaalsContact O-CG2 3.3Å; K371-V375 WeakPolarHBondContact O-CG2 3.46Å; K371-V375 PolarHBondContact O-N 3.18Å; K371-D522 WeakPolarHBondContact CE-OD1 3.21Å; K371-D522 IonicContact NZ-OD1 3.22Å; K371-D522 PolarHBondContact NZ-OD1 3.45Å; K371-D522 IonicContact NZ-OD2 3.08Å
372	D	93.1	Very high	91.3	Very high	33 Å²	33	74.7 Å²	74.7	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-55	175	-158.4	12.5	0	0	0	109.8	L353 V367 P368 K369 M374 V375 E376	L353-D372 VanDerWaalsContact CD1-OD1 3.25Å; L353-D372 WeakPolarHBondContact CD1-OD1 3.42Å; V367-D372 HydrophobicContact CG1-CB 4.16Å; P368-D372 PolarHBondContact O-N 3.41Å; K369-D372 WeakPolarHBondContact O-CB 3.46Å; K369-D372 PolarHBondContact O-N 3.32Å; D372-M374 PolarHBondContact O-N 3.15Å; D372-V375 PolarHBondContact O-N 2.92Å; D372-E376 VanDerWaalsContact O-CB 3.3Å; D372-E376 WeakPolarHBondContact O-CB 3.19Å; D372-E376 PolarHBondContact O-N 3.06Å
373	E	95.4	Very high	93.2	Very high	102 Å²	102	71.5 Å²	71.5	48%	0.477	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-42.8	179.9	-68.8	176.1	162.8	0	0	112.8	K369 Q377	K369-E373 WeakPolarHBondContact CE-OE1 3.39Å; K369-E373 HydrophobicContact CG-CG 4.38Å; K369-E373 IonicContact NZ-OE1 3.45Å; K369-E373 WeakPolarHBondContact O-CG 3.46Å; K369-E373 PolarHBondContact O-N 3.33Å; E373-Q377 VanDerWaalsContact O-CB 3.28Å; E373-Q377 WeakPolarHBondContact O-CB 3.31Å; E373-Q377 PolarHBondContact O-N 3.33Å
374	M	97.8	Very high	94.6	Very high	80 Å²	80	69.5 Å²	69.5	39%	0.394	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-45	179	-178.4	-159.7	74.4	0	0	112	E370 K371 D372 E378	E370-M374 WeakPolarHBondContact O-CB 3.43Å; E370-M374 PolarHBondContact O-N 2.73Å; E370-M374 VanDerWaalsContact O-N 3.09Å; K371-M374 HydrophobicContact CD-CE 3.8Å; D372-M374 PolarHBondContact O-N 3.15Å; M374-E378 PolarHBondContact O-N 2.76Å; M374-E378 VanDerWaalsContact O-N 3.09Å
375	V	98	Very high	95.6	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-74.6	-36.7	-178.2	176.3	0	0	0	0	111.1	K371 D372 E378 F379 D522 I525 L526	K371-V375 WeakPolarHBondContact O-CB 3.47Å; K371-V375 VanDerWaalsContact O-CG2 3.3Å; K371-V375 WeakPolarHBondContact O-CG2 3.46Å; K371-V375 PolarHBondContact O-N 3.18Å; D372-V375 PolarHBondContact O-N 2.92Å; V375-E378 PolarHBondContact O-N 3.32Å; V375-F379 WeakPolarHBondContact O-CB 3.17Å; V375-F379 PolarHBondContact O-N 3.04Å; V375-D522 HydrophobicContact CG2-CB 4.19Å; V375-I525 HydrophobicContact CB-CB 4.47Å; V375-I525 HydrophobicContact CB-CG2 3.95Å; V375-I525 HydrophobicContact CG1-CB 4.06Å; V375-I525 HydrophobicContact CG1-CG2 3.75Å; V375-I525 HydrophobicContact CG2-CB 4.38Å; V375-I525 HydrophobicContact CG2-CG2 4.29Å; V375-L526 HydrophobicContact CG1-CB 3.81Å; V375-L526 HydrophobicContact CG1-CD1 4.39Å
376	E	97.9	Very high	96.3	Very high	89 Å²	89	66.5 Å²	66.5	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-44.4	172.6	-176.6	175.1	-170.8	0	0	111.5	D372 E378 F379 N380	D372-E376 VanDerWaalsContact O-CB 3.3Å; D372-E376 WeakPolarHBondContact O-CB 3.19Å; D372-E376 PolarHBondContact O-N 3.06Å; E376-E378 VanDerWaalsContact C-N 3.32Å; E376-E378 PolarHBondContact O-N 2.91Å; E376-F379 WeakPolarHBondContact O-CB 3.4Å; E376-F379 PolarHBondContact O-N 3.07Å; E376-N380 PolarHBondContact O-N 3.44Å; E376-N380 PolarHBondContact O-ND2 2.88Å
377	Q	98	Very high	96.7	Very high	129 Å²	129	65.7 Å²	65.7	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-43	176	-173.4	179.9	20.1	0	0	111.5	E373 N380 R381	E373-Q377 VanDerWaalsContact O-CB 3.28Å; E373-Q377 WeakPolarHBondContact O-CB 3.31Å; E373-Q377 PolarHBondContact O-N 3.33Å; Q377-N380 PolarHBondContact O-N 3.4Å; Q377-R381 VanDerWaalsContact O-CG 3.32Å; Q377-R381 WeakPolarHBondContact O-CG 3.33Å; Q377-R381 PolarHBondContact O-N 2.71Å
378	E	98.4	Very high	96.9	Very high	34 Å²	34	71.6 Å²	71.6	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-70	-35.2	178.2	-168.6	59.1	-165.7	0	0	112.4	M374 V375 E376 N380 R381 L382 Y517	M374-E378 PolarHBondContact O-N 2.76Å; M374-E378 VanDerWaalsContact O-N 3.09Å; V375-E378 PolarHBondContact O-N 3.32Å; E376-E378 VanDerWaalsContact C-N 3.32Å; E376-E378 PolarHBondContact O-N 2.91Å; E378-N380 VanDerWaalsContact C-N 3.34Å; E378-N380 PolarHBondContact O-N 3.42Å; E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 WeakPolarHBondContact OE2-CD 3.35Å; E378-R381 IonicContact OE2-NE 3.96Å; E378-R381 PolarHBondContact OE2-NE 3.23Å; E378-L382 WeakPolarHBondContact O-CB 3.26Å; E378-L382 VanDerWaalsContact O-CG 3.28Å; E378-L382 WeakPolarHBondContact O-CG 3.18Å; E378-L382 PolarHBondContact O-N 3.13Å; E378-Y517 HydrophobicContact CG-CE2 4.31Å; E378-Y517 WeakPolarHBondContact CG-OH 3.4Å; E378-Y517 VanDerWaalsContact OE1-CE2 3.28Å; E378-Y517 WeakPolarHBondContact OE1-CE2 3.48Å; E378-Y517 VanDerWaalsContact OE1-CZ 3.27Å; E378-Y517 PolarHBondContact OE1-OH 3.28Å
379	F	98.7	Very high	97.1	Very high	20 Å²	20	69.6 Å²	69.6	9%	0.088	33%	0.328	C	S	.	.	H	α-helix	trans	-56.4	-47.3	170.9	166.1	-104.2	0	0	0	111.8	V375 E376 L382 L383 L526 H529 F530 L533	V375-F379 WeakPolarHBondContact O-CB 3.17Å; V375-F379 PolarHBondContact O-N 3.04Å; E376-F379 WeakPolarHBondContact O-CB 3.4Å; E376-F379 PolarHBondContact O-N 3.07Å; F379-L382 WeakPolarHBondContact O-CB 2.92Å; F379-L382 PolarHBondContact O-N 3.35Å; F379-L383 HydrophobicContact CD1-CD1 4.47Å; F379-L383 HydrophobicContact CE1-CD1 3.75Å; F379-L383 HydrophobicContact CE2-CD1 4.11Å; F379-L383 HydrophobicContact CE2-CG 4.3Å; F379-L383 HydrophobicContact CZ-CD1 3.56Å; F379-L383 HydrophobicContact CZ-CG 4.24Å; F379-L383 PolarHBondContact O-N 2.9Å; F379-L383 VanDerWaalsContact O-N 3.12Å; F379-L526 HydrophobicContact CB-CD1 3.67Å; F379-L526 HydrophobicContact CD2-CD1 4.1Å; F379-L526 HydrophobicContact CG-CD1 4.37Å; F379-H529 HydrophobicContact CB-CB 4.14Å; F379-H529 HydrophobicContact CD1-CB 3.99Å; F379-H529 HydrophobicContact CD2-CB 3.61Å; F379-H529 HydrophobicContact CE1-CB 4.3Å; F379-H529 HydrophobicContact CE2-CB 3.95Å; F379-H529 HydrophobicContact CG-CB 3.62Å; F379-H529 HydrophobicContact CZ-CB 4.27Å; F379-F530 AromaticContact CD2-CD1 3.92Å; F379-F530 HydrophobicContact CD2-CD1 3.92Å; F379-F530 AromaticContact CD2-CE1 3.8Å; F379-F530 HydrophobicContact CD2-CE1 3.8Å; F379-F530 AromaticContact CE2-CD1 3.73Å; F379-F530 HydrophobicContact CE2-CD1 3.73Å; F379-F530 AromaticContact CE2-CE1 3.94Å; F379-F530 HydrophobicContact CE2-CE1 3.94Å; F379-L533 HydrophobicContact CE2-CD2 4.41Å; F379-L533 HydrophobicContact CZ-CB 4.32Å; F379-L533 HydrophobicContact CZ-CD2 4.3Å
380	N	98.1	Very high	97.4	Very high	68 Å²	68	62.5 Å²	62.5	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-41.8	178.3	-68.5	-31.1	0	0	0	111.8	E376 Q377 E378 L382 L383 E384	E376-N380 PolarHBondContact O-N 3.44Å; E376-N380 PolarHBondContact O-ND2 2.88Å; Q377-N380 PolarHBondContact O-N 3.4Å; E378-N380 VanDerWaalsContact C-N 3.34Å; E378-N380 PolarHBondContact O-N 3.42Å; N380-L382 VanDerWaalsContact C-N 3.3Å; N380-L382 PolarHBondContact O-N 3.08Å; N380-L383 WeakPolarHBondContact O-CB 3.07Å; N380-L383 PolarHBondContact O-N 3.31Å; N380-L383 VanDerWaalsContact O-N 3.14Å; N380-E384 PolarHBondContact O-N 3.4Å
381	R	98.4	Very high	97.6	Very high	131 Å²	131	59.4 Å²	59.4	49%	0.494	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-37.9	174.5	-72.5	167.6	58	78.6	3.6	112.5	Q377 E378 E384 A385	Q377-R381 VanDerWaalsContact O-CG 3.32Å; Q377-R381 WeakPolarHBondContact O-CG 3.33Å; Q377-R381 PolarHBondContact O-N 2.71Å; E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 WeakPolarHBondContact OE2-CD 3.35Å; E378-R381 IonicContact OE2-NE 3.96Å; E378-R381 PolarHBondContact OE2-NE 3.23Å; R381-E384 PolarHBondContact O-N 2.83Å; R381-A385 WeakPolarHBondContact O-CB 3.29Å; R381-A385 PolarHBondContact O-N 2.89Å
382	L	98.6	Very high	97.7	Very high	1 Å²	1	63 Å²	63	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-41.3	174.8	-74.1	172	0	0	0	111.5	E378 F379 N380 A385 T386 L409 V412 I413 Y517 L526 F530	E378-L382 WeakPolarHBondContact O-CB 3.26Å; E378-L382 VanDerWaalsContact O-CG 3.28Å; E378-L382 WeakPolarHBondContact O-CG 3.18Å; E378-L382 PolarHBondContact O-N 3.13Å; F379-L382 WeakPolarHBondContact O-CB 2.92Å; F379-L382 PolarHBondContact O-N 3.35Å; N380-L382 VanDerWaalsContact C-N 3.3Å; N380-L382 PolarHBondContact O-N 3.08Å; L382-A385 PolarHBondContact O-N 2.71Å; L382-T386 WeakPolarHBondContact O-CG2 3.31Å; L382-T386 PolarHBondContact O-N 3.46Å; L382-L409 HydrophobicContact CB-CD2 3.96Å; L382-V412 HydrophobicContact CD2-CB 4.26Å; L382-V412 HydrophobicContact CD2-CG1 3.46Å; L382-V412 VanDerWaalsContact CD2-CG1 3.46Å; L382-I413 HydrophobicContact CD1-CD1 4.24Å; L382-I413 HydrophobicContact CD1-CG1 4Å; L382-I413 HydrophobicContact CD2-CG1 3.89Å; L382-Y517 WeakPolarHBondContact CD2-OH 3.46Å; L382-L526 HydrophobicContact CD1-CD1 4.2Å; L382-L526 HydrophobicContact CD1-CD2 3.87Å; L382-F530 HydrophobicContact CD1-CZ 4.31Å
383	L	98.3	Very high	98	Very high	30 Å²	30	66.2 Å²	66.2	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-47.1	175.2	-69.1	178.6	0	0	0	111.8	F379 N380 A385 T386 S387 L409 L533	F379-L383 HydrophobicContact CD1-CD1 4.47Å; F379-L383 HydrophobicContact CE1-CD1 3.75Å; F379-L383 HydrophobicContact CE2-CD1 4.11Å; F379-L383 HydrophobicContact CE2-CG 4.3Å; F379-L383 HydrophobicContact CZ-CD1 3.56Å; F379-L383 HydrophobicContact CZ-CG 4.24Å; F379-L383 PolarHBondContact O-N 2.9Å; F379-L383 VanDerWaalsContact O-N 3.12Å; N380-L383 WeakPolarHBondContact O-CB 3.07Å; N380-L383 PolarHBondContact O-N 3.31Å; N380-L383 VanDerWaalsContact O-N 3.14Å; L383-A385 VanDerWaalsContact C-N 3.28Å; L383-A385 PolarHBondContact O-N 2.74Å; L383-T386 PolarHBondContact O-N 3.3Å; L383-T386 VanDerWaalsContact O-N 3.08Å; L383-T386 PolarHBondContact O-OG1 3.15Å; L383-S387 PolarHBondContact O-N 3.41Å; L383-L409 HydrophobicContact CD2-CD2 4.4Å; L383-L533 HydrophobicContact CD2-CD2 3.9Å
384	E	98	Very high	98.1	Very high	135 Å²	135	66.7 Å²	66.7	63%	0.631	32%	0.322	S	S	*	.	H	α-helix	trans	-56.8	-43	174.7	-69.8	173	-162.4	0	0	111.8	N380 R381 T386 S387 Y388	N380-E384 PolarHBondContact O-N 3.4Å; R381-E384 PolarHBondContact O-N 2.83Å; E384-T386 VanDerWaalsContact C-N 3.33Å; E384-T386 PolarHBondContact O-N 3.24Å; E384-S387 WeakPolarHBondContact O-CB 3.49Å; E384-S387 PolarHBondContact O-N 3.04Å; E384-Y388 PolarHBondContact O-N 3.21Å
385	A	98.5	Very high	98.1	Very high	32 Å²	32	65.3 Å²	65.3	26%	0.264	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-37.5	176.5	0	0	0	0	0	112.4	R381 L382 L383 Y388 L389 V412	R381-A385 WeakPolarHBondContact O-CB 3.29Å; R381-A385 PolarHBondContact O-N 2.89Å; L382-A385 PolarHBondContact O-N 2.71Å; L383-A385 VanDerWaalsContact C-N 3.28Å; L383-A385 PolarHBondContact O-N 2.74Å; A385-Y388 WeakPolarHBondContact O-CB 3.43Å; A385-Y388 PolarHBondContact O-N 3.31Å; A385-L389 WeakPolarHBondContact O-CB 3.46Å; A385-L389 PolarHBondContact O-N 2.71Å; A385-V412 HydrophobicContact CB-CG1 3.73Å; A385-V412 HydrophobicContact CB-CG2 4.15Å
386	T	98.4	Very high	98.1	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-36.6	173.6	62.7	0	0	0	0	112.6	L382 L383 E384 L389 S390 L405 A408 L409 V412	L382-T386 WeakPolarHBondContact O-CG2 3.31Å; L382-T386 PolarHBondContact O-N 3.46Å; L383-T386 PolarHBondContact O-N 3.3Å; L383-T386 VanDerWaalsContact O-N 3.08Å; L383-T386 PolarHBondContact O-OG1 3.15Å; E384-T386 VanDerWaalsContact C-N 3.33Å; E384-T386 PolarHBondContact O-N 3.24Å; T386-L389 WeakPolarHBondContact O-CB 3.14Å; T386-L389 PolarHBondContact O-N 3.17Å; T386-S390 WeakPolarHBondContact O-CB 3.4Å; T386-S390 PolarHBondContact O-N 3.01Å; T386-L405 HydrophobicContact CG2-CD1 4.33Å; T386-A408 HydrophobicContact CG2-CB 3.73Å; T386-L409 HydrophobicContact CG2-CD2 3.77Å; T386-L409 HydrophobicContact CG2-CG 3.93Å; T386-V412 HydrophobicContact CG2-CG2 4.08Å
387	S	97.8	Very high	98.1	Very high	48 Å²	48	68.5 Å²	68.5	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-41.3	173	-175.3	0	0	0	0	111.5	L383 E384 L389 S390 H391	L383-S387 PolarHBondContact O-N 3.41Å; E384-S387 WeakPolarHBondContact O-CB 3.49Å; E384-S387 PolarHBondContact O-N 3.04Å; S387-L389 PolarHBondContact O-N 3.22Å; S387-S390 PolarHBondContact O-N 3.26Å; S387-H391 WeakPolarHBondContact O-CB 3.16Å; S387-H391 PolarHBondContact O-N 3.04Å; S387-H391 PolarHBondContact O-ND1 3.15Å; S387-H391 PolarHBondContact OG-ND1 2.98Å
388	Y	98.3	Very high	98	Very high	135 Å²	135	65.8 Å²	65.8	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-46.5	171.4	178.5	-88.7	0	0	0	111.5	E384 A385 S390 H391 Q392 L393	E384-Y388 PolarHBondContact O-N 3.21Å; A385-Y388 WeakPolarHBondContact O-CB 3.43Å; A385-Y388 PolarHBondContact O-N 3.31Å; Y388-S390 VanDerWaalsContact C-N 3.29Å; Y388-S390 PolarHBondContact O-N 2.8Å; Y388-H391 PolarHBondContact O-N 2.7Å; Y388-Q392 HydrophobicContact CD1-CB 4.49Å; Y388-Q392 HydrophobicContact CD2-CB 3.87Å; Y388-Q392 HydrophobicContact CD2-CG 3.51Å; Y388-Q392 HydrophobicContact CE1-CB 4.38Å; Y388-Q392 HydrophobicContact CE2-CB 3.74Å; Y388-Q392 HydrophobicContact CE2-CG 3.68Å; Y388-Q392 HydrophobicContact CG-CB 4.24Å; Y388-Q392 HydrophobicContact CG-CG 4.15Å; Y388-Q392 WeakPolarHBondContact O-CA 3.37Å; Y388-Q392 VanDerWaalsContact O-CB 3.25Å; Y388-Q392 WeakPolarHBondContact O-CB 3.19Å; Y388-Q392 PolarHBondContact O-N 2.89Å; Y388-L393 HydrophobicContact CD1-CD1 4.47Å; Y388-L393 HydrophobicContact CD1-CG 4.35Å; Y388-L393 HydrophobicContact CE1-CD1 3.99Å; Y388-L393 HydrophobicContact CE1-CD2 4.09Å; Y388-L393 HydrophobicContact CE1-CG 3.85Å; Y388-L393 PolarHBondContact O-N 3Å
389	L	98	Very high	97.9	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.084	35%	0.345	C	S	.	.	H	α-helix	trans	-57.3	-43.3	177.2	-137.2	71.8	0	0	0	111.8	A385 T386 S387 L393 D394 F395 A408 V411 V412	A385-L389 WeakPolarHBondContact O-CB 3.46Å; A385-L389 PolarHBondContact O-N 2.71Å; T386-L389 WeakPolarHBondContact O-CB 3.14Å; T386-L389 PolarHBondContact O-N 3.17Å; S387-L389 PolarHBondContact O-N 3.22Å; L389-L393 HydrophobicContact CD1-CD1 3.87Å; L389-D394 PolarHBondContact O-N 3Å; L389-F395 HydrophobicContact CB-CB 4.43Å; L389-F395 HydrophobicContact CD2-CB 4.3Å; L389-F395 HydrophobicContact CD2-CD1 3.46Å; L389-F395 VanDerWaalsContact CD2-CD1 3.46Å; L389-F395 HydrophobicContact CD2-CE1 4Å; L389-F395 HydrophobicContact CD2-CG 4.01Å; L389-F395 HydrophobicContact CG-CB 3.87Å; L389-F395 HydrophobicContact CG-CD1 4.01Å; L389-F395 HydrophobicContact CG-CG 4.11Å; L389-F395 WeakPolarHBondContact O-CB 3.5Å; L389-F395 PolarHBondContact O-N 2.89Å; L389-A408 HydrophobicContact CD2-CB 4.46Å; L389-V411 HydrophobicContact CD2-CG1 4.21Å; L389-V412 HydrophobicContact CD2-CG2 4.28Å
390	S	98.1	Very high	97.8	Very high	1 Å²	1	77.7 Å²	77.7	1%	0.007	38%	0.383	C	S	.	.	H	α-helix	trans	-68.6	-50.8	179.5	-179.9	0	0	0	0	113	T386 S387 Y388 D394 N396	T386-S390 WeakPolarHBondContact O-CB 3.4Å; T386-S390 PolarHBondContact O-N 3.01Å; S387-S390 PolarHBondContact O-N 3.26Å; Y388-S390 VanDerWaalsContact C-N 3.29Å; Y388-S390 PolarHBondContact O-N 2.8Å; S390-D394 WeakPolarHBondContact O-CA 3.41Å; S390-N396 PolarHBondContact O-ND2 3.01Å; S390-N396 PolarHBondContact OG-OD1 3.42Å; S390-N396 VanDerWaalsContact OG-OD1 3.07Å
391	H	96.7	Very high	97.7	Very high	101 Å²	101	81.6 Å²	81.6	47%	0.468	40%	0.396	S	S	.	.	H	α-helix	trans	-93.8	-29.3	-167	-66.4	100.8	0	0	0	113.9	S387 Y388	S387-H391 WeakPolarHBondContact O-CB 3.16Å; S387-H391 PolarHBondContact O-N 3.04Å; S387-H391 PolarHBondContact O-ND1 3.15Å; S387-H391 PolarHBondContact OG-ND1 2.98Å; Y388-H391 PolarHBondContact O-N 2.7Å
392	Q	97.9	Very high	97.7	Very high	134 Å²	134	77.4 Å²	77.4	63%	0.626	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-35.1	-176.7	-55.1	-59.1	-41.6	0	0	112.4	Y388	Y388-Q392 HydrophobicContact CD1-CB 4.49Å; Y388-Q392 HydrophobicContact CD2-CB 3.87Å; Y388-Q392 HydrophobicContact CD2-CG 3.51Å; Y388-Q392 HydrophobicContact CE1-CB 4.38Å; Y388-Q392 HydrophobicContact CE2-CB 3.74Å; Y388-Q392 HydrophobicContact CE2-CG 3.68Å; Y388-Q392 HydrophobicContact CG-CB 4.24Å; Y388-Q392 HydrophobicContact CG-CG 4.15Å; Y388-Q392 WeakPolarHBondContact O-CA 3.37Å; Y388-Q392 VanDerWaalsContact O-CB 3.25Å; Y388-Q392 WeakPolarHBondContact O-CB 3.19Å; Y388-Q392 PolarHBondContact O-N 2.89Å
393	L	97.9	Very high	97.8	Very high	101 Å²	101	77.6 Å²	77.6	53%	0.529	39%	0.387	S	S	.	.	S	Bend	trans	-103.2	-2.5	-179.7	-53.6	-172.5	0	0	0	113.8	Y388 L389 F395	Y388-L393 HydrophobicContact CD1-CD1 4.47Å; Y388-L393 HydrophobicContact CD1-CG 4.35Å; Y388-L393 HydrophobicContact CE1-CD1 3.99Å; Y388-L393 HydrophobicContact CE1-CD2 4.09Å; Y388-L393 HydrophobicContact CE1-CG 3.85Å; Y388-L393 PolarHBondContact O-N 3Å; L389-L393 HydrophobicContact CD1-CD1 3.87Å; L393-F395 PolarHBondContact O-N 3.06Å
394	D	97.4	Very high	97.8	Very high	112 Å²	112	76.2 Å²	76.2	60%	0.599	38%	0.38	S	S	*	.			trans	50.2	37.2	-175.2	-158.7	23.4	0	0	0	113.3	L389 S390 N396 K547	L389-D394 PolarHBondContact O-N 3Å; S390-D394 WeakPolarHBondContact O-CA 3.41Å; D394-N396 PolarHBondContact O-N 3.42Å; D394-N396 PolarHBondContact OD1-ND2 2.85Å; D394-K547 IonicContact OD1-NZ 3.22Å
395	F	98.1	Very high	97.8	Very high	52 Å²	52	69.8 Å²	69.8	23%	0.228	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	54.9	178.3	-171.6	-103.9	0	0	0	111.8	L389 L393 L398 V403 V411 L546	L389-F395 HydrophobicContact CB-CB 4.43Å; L389-F395 HydrophobicContact CD2-CB 4.3Å; L389-F395 HydrophobicContact CD2-CD1 3.46Å; L389-F395 VanDerWaalsContact CD2-CD1 3.46Å; L389-F395 HydrophobicContact CD2-CE1 4Å; L389-F395 HydrophobicContact CD2-CG 4.01Å; L389-F395 HydrophobicContact CG-CB 3.87Å; L389-F395 HydrophobicContact CG-CD1 4.01Å; L389-F395 HydrophobicContact CG-CG 4.11Å; L389-F395 WeakPolarHBondContact O-CB 3.5Å; L389-F395 PolarHBondContact O-N 2.89Å; L393-F395 PolarHBondContact O-N 3.06Å; F395-L398 HydrophobicContact CE2-CD1 4.45Å; F395-L398 HydrophobicContact CZ-CD2 4.44Å; F395-V403 HydrophobicContact CD1-CG1 4.17Å; F395-V403 HydrophobicContact CD1-CG2 4.4Å; F395-V403 HydrophobicContact CE1-CG1 3.91Å; F395-V403 HydrophobicContact CE1-CG2 4.18Å; F395-V411 HydrophobicContact CE1-CG2 4.31Å; F395-V411 HydrophobicContact CZ-CG2 4.23Å; F395-L546 HydrophobicContact CD1-CD2 4.48Å; F395-L546 VanDerWaalsContact O-CD2 3.23Å; F395-L546 WeakPolarHBondContact O-CD2 3.32Å
396	N	98.2	Very high	97.8	Very high	9 Å²	9	68.8 Å²	68.8	5%	0.048	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.6	-173.3	-69.4	-54.8	0	0	0	113.4	S390 D394 V403	S390-N396 PolarHBondContact O-ND2 3.01Å; S390-N396 PolarHBondContact OG-OD1 3.42Å; S390-N396 VanDerWaalsContact OG-OD1 3.07Å; D394-N396 PolarHBondContact O-N 3.42Å; D394-N396 PolarHBondContact OD1-ND2 2.85Å; N396-V403 PolarHBondContact O-N 3.43Å
397	F	97.8	Very high	97.8	Very high	147 Å²	147	72.5 Å²	72.5	65%	0.645	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	133	177.9	-71.1	-90.9	0	0	0	111.2	K401 P402	F397-K401 WeakPolarHBondContact CA-O 3.36Å; F397-P402 HydrophobicContact CE1-CB 4.38Å
398	L	96.4	Very high	97.9	Very high	73 Å²	73	70.2 Å²	70.2	38%	0.382	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123	173.9	-175.5	65.6	0	0	0	108.7	F395 N400 K401 V403	F395-L398 HydrophobicContact CE2-CD1 4.45Å; F395-L398 HydrophobicContact CZ-CD2 4.44Å; L398-N400 VanDerWaalsContact C-N 3.31Å; L398-N400 PolarHBondContact O-N 3.43Å; L398-K401 PolarHBondContact N-O 2.98Å; L398-K401 PolarHBondContact O-N 3.24Å; L398-V403 HydrophobicContact CB-CG2 3.78Å
399	N	96.4	Very high	97.9	Very high	139 Å²	139	64 Å²	64	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	46.2	-178.6	-56.4	-35.7	0	0	0	113	K401	N399-K401 PolarHBondContact O-N 2.93Å; N399-K401 VanDerWaalsContact O-N 3.14Å
400	N	95.8	Very high	97.9	Very high	165 Å²	165	69 Å²	69	88%	0.882	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	17.1	-177	-59.7	-17.6	0	0	0	115.1	L398	L398-N400 VanDerWaalsContact C-N 3.31Å; L398-N400 PolarHBondContact O-N 3.43Å
401	K	97.8	Very high	97.9	Very high	149 Å²	149	70.9 Å²	70.9	65%	0.648	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.4	173	-64.9	-179.3	-177.6	180	0	109.7	F397 L398 N399	F397-K401 WeakPolarHBondContact CA-O 3.36Å; L398-K401 PolarHBondContact N-O 2.98Å; L398-K401 PolarHBondContact O-N 3.24Å; N399-K401 PolarHBondContact O-N 2.93Å; N399-K401 VanDerWaalsContact O-N 3.14Å
402	P	98.4	Very high	98	Very high	44 Å²	44	66.4 Å²	66.4	29%	0.286	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.4	173	28.1	-34.6	0	0	0	109.7	F397 A763	F397-P402 HydrophobicContact CE1-CB 4.38Å; P402-A763 HydrophobicContact CB-CB 4.21Å; P402-A763 HydrophobicContact CG-CB 4.09Å
403	V	98.7	Very high	98	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.024	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-77.4	135.8	177.7	177.7	0	0	0	0	109.4	F395 N396 L398 Q407 A408 L546	F395-V403 HydrophobicContact CD1-CG1 4.17Å; F395-V403 HydrophobicContact CD1-CG2 4.4Å; F395-V403 HydrophobicContact CE1-CG1 3.91Å; F395-V403 HydrophobicContact CE1-CG2 4.18Å; N396-V403 PolarHBondContact O-N 3.43Å; L398-V403 HydrophobicContact CB-CG2 3.78Å; V403-Q407 HydrophobicContact CG1-CB 4.09Å; V403-A408 HydrophobicContact CG1-CB 4.41Å; V403-L546 HydrophobicContact CB-CD2 4.25Å; V403-L546 HydrophobicContact CG1-CB 4.35Å; V403-L546 HydrophobicContact CG1-CD2 3.84Å; V403-L546 WeakPolarHBondContact O-CB 3.34Å; V403-L546 PolarHBondContact O-N 3.04Å
404	S	98.8	Very high	98.1	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-91.1	158.8	172.5	62	0	0	0	0	112.4	G406 Q407 A408 S542 L544	S404-G406 VanDerWaalsContact C-N 3.27Å; S404-G406 PolarHBondContact O-N 2.68Å; S404-Q407 PolarHBondContact O-N 2.98Å; S404-Q407 VanDerWaalsContact OG-CG 3.26Å; S404-Q407 WeakPolarHBondContact OG-CG 3.33Å; S404-Q407 PolarHBondContact OG-N 2.87Å; S404-Q407 PolarHBondContact OG-OE1 3.44Å; S404-A408 PolarHBondContact O-N 3.25Å; S404-S542 VanDerWaalsContact CB-C 3.48Å; S404-S542 WeakPolarHBondContact CB-O 3.3Å; S404-S542 PolarHBondContact OG-O 3.31Å; S404-L544 CarbonylContact C-O 3.5Å; S404-L544 WeakPolarHBondContact CA-O 3.47Å; S404-L544 VanDerWaalsContact CB-O 3.31Å; S404-L544 WeakPolarHBondContact CB-O 3.4Å
405	L	98.8	Very high	98.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-42.1	174.3	-178.7	60.8	0	0	0	111.8	T386 Q407 A408 L409 L533 L541 L544 L546 W549	T386-L405 HydrophobicContact CG2-CD1 4.33Å; L405-Q407 PolarHBondContact O-N 3.01Å; L405-A408 PolarHBondContact O-N 3.08Å; L405-L409 HydrophobicContact CD1-CG 4.45Å; L405-L409 HydrophobicContact CG-CD1 4.12Å; L405-L409 WeakPolarHBondContact O-CG 3.38Å; L405-L409 PolarHBondContact O-N 3.28Å; L405-L533 HydrophobicContact CD2-CD2 3.92Å; L405-L541 HydrophobicContact CD2-CD2 4.46Å; L405-L544 HydrophobicContact CB-CB 4.05Å; L405-L544 HydrophobicContact CD2-CD1 4.16Å; L405-L544 PolarHBondContact N-O 2.8Å; L405-L546 HydrophobicContact CD1-CD1 4.12Å; L405-W549 HydrophobicContact CD2-CD2 3.89Å; L405-W549 HydrophobicContact CD2-CE3 4.48Å; L405-W549 HydrophobicContact CD2-CG 4.13Å; L405-W549 HydrophobicContact CD2-CZ2 4.28Å
406	G	98.6	Very high	98.1	Very high	10 Å²	10	60.4 Å²	60.4	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-42.4	176.9	0	0	0	0	0	113.1	S404 L409 E410 L541	S404-G406 VanDerWaalsContact C-N 3.27Å; S404-G406 PolarHBondContact O-N 2.68Å; G406-L409 PolarHBondContact O-N 3.03Å; G406-E410 WeakPolarHBondContact O-CG 3.37Å; G406-E410 PolarHBondContact O-N 2.89Å; G406-L541 PolarHBondContact N-O 2.79Å
407	Q	98.7	Very high	98.1	Very high	81 Å²	81	63.9 Å²	63.9	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-39.6	175.8	-74.2	168.7	-48.5	0	0	112.2	V403 S404 L405 E410 V411	V403-Q407 HydrophobicContact CG1-CB 4.09Å; S404-Q407 PolarHBondContact O-N 2.98Å; S404-Q407 VanDerWaalsContact OG-CG 3.26Å; S404-Q407 WeakPolarHBondContact OG-CG 3.33Å; S404-Q407 PolarHBondContact OG-N 2.87Å; S404-Q407 PolarHBondContact OG-OE1 3.44Å; L405-Q407 PolarHBondContact O-N 3.01Å; Q407-E410 PolarHBondContact O-N 3.12Å; Q407-V411 WeakPolarHBondContact O-CG2 3.5Å; Q407-V411 PolarHBondContact O-N 3.11Å
408	A	98.7	Very high	98.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-43.9	176.9	0	0	0	0	0	111.6	T386 L389 V403 S404 L405 E410 V411 V412 L546	T386-A408 HydrophobicContact CG2-CB 3.73Å; L389-A408 HydrophobicContact CD2-CB 4.46Å; V403-A408 HydrophobicContact CG1-CB 4.41Å; S404-A408 PolarHBondContact O-N 3.25Å; L405-A408 PolarHBondContact O-N 3.08Å; A408-E410 VanDerWaalsContact C-N 3.34Å; A408-E410 PolarHBondContact O-N 3.02Å; A408-V411 PolarHBondContact O-N 3.04Å; A408-V412 WeakPolarHBondContact O-CG2 3.45Å; A408-V412 PolarHBondContact O-N 2.91Å; A408-L546 HydrophobicContact CB-CD1 3.55Å; A408-L546 HydrophobicContact CB-CD2 3.91Å; A408-L546 HydrophobicContact CB-CG 4.28Å
409	L	98.6	Very high	98.2	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-44	175.2	-74.4	167	0	0	0	111.7	L382 L383 T386 L405 G406 V411 V412 I413 F530 L541	L382-L409 HydrophobicContact CB-CD2 3.96Å; L383-L409 HydrophobicContact CD2-CD2 4.4Å; T386-L409 HydrophobicContact CG2-CD2 3.77Å; T386-L409 HydrophobicContact CG2-CG 3.93Å; L405-L409 HydrophobicContact CD1-CG 4.45Å; L405-L409 HydrophobicContact CG-CD1 4.12Å; L405-L409 WeakPolarHBondContact O-CG 3.38Å; L405-L409 PolarHBondContact O-N 3.28Å; G406-L409 PolarHBondContact O-N 3.03Å; L409-V411 PolarHBondContact O-N 3.18Å; L409-V412 PolarHBondContact O-N 3.49Å; L409-I413 WeakPolarHBondContact O-CB 3.32Å; L409-I413 VanDerWaalsContact O-CG1 3.26Å; L409-I413 WeakPolarHBondContact O-CG1 3.28Å; L409-I413 PolarHBondContact O-N 3.11Å; L409-F530 HydrophobicContact CD1-CD1 4.06Å; L409-F530 HydrophobicContact CD1-CE1 3.65Å; L409-F530 HydrophobicContact CD1-CZ 4.27Å; L409-F530 HydrophobicContact CD2-CE1 3.95Å; L409-F530 HydrophobicContact CD2-CZ 4.28Å; L409-F530 HydrophobicContact CG-CE1 4.34Å; L409-L541 HydrophobicContact CD1-CD1 3.68Å
410	E	98.4	Very high	98.3	Very high	119 Å²	119	58 Å²	58	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-59.6	-44.9	175	-76.7	177.3	-175.3	0	0	112.1	G406 Q407 A408 I413 Q414	G406-E410 WeakPolarHBondContact O-CG 3.37Å; G406-E410 PolarHBondContact O-N 2.89Å; Q407-E410 PolarHBondContact O-N 3.12Å; A408-E410 VanDerWaalsContact C-N 3.34Å; A408-E410 PolarHBondContact O-N 3.02Å; E410-I413 PolarHBondContact O-N 3.32Å; E410-Q414 WeakPolarHBondContact O-CB 3.48Å; E410-Q414 WeakPolarHBondContact O-CG 3.38Å; E410-Q414 PolarHBondContact O-N 3.33Å
411	V	98.4	Very high	98.3	Very high	42 Å²	42	56 Å²	56	26%	0.255	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-46.9	177.2	169.1	0	0	0	0	111.1	L389 F395 Q407 A408 L409 Q414 L415	L389-V411 HydrophobicContact CD2-CG1 4.21Å; F395-V411 HydrophobicContact CE1-CG2 4.31Å; F395-V411 HydrophobicContact CZ-CG2 4.23Å; Q407-V411 WeakPolarHBondContact O-CG2 3.5Å; Q407-V411 PolarHBondContact O-N 3.11Å; A408-V411 PolarHBondContact O-N 3.04Å; L409-V411 PolarHBondContact O-N 3.18Å; V411-Q414 PolarHBondContact O-N 2.74Å; V411-L415 HydrophobicContact CG1-CD1 4.05Å; V411-L415 WeakPolarHBondContact O-CG 3.35Å; V411-L415 PolarHBondContact O-N 3.32Å
412	V	98.5	Very high	98.4	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-49	179.4	175.4	0	0	0	0	110.4	L382 A385 T386 L389 A408 L409 Q414 L415 Q416	L382-V412 HydrophobicContact CD2-CB 4.26Å; L382-V412 HydrophobicContact CD2-CG1 3.46Å; L382-V412 VanDerWaalsContact CD2-CG1 3.46Å; A385-V412 HydrophobicContact CB-CG1 3.73Å; A385-V412 HydrophobicContact CB-CG2 4.15Å; T386-V412 HydrophobicContact CG2-CG2 4.08Å; L389-V412 HydrophobicContact CD2-CG2 4.28Å; A408-V412 WeakPolarHBondContact O-CG2 3.45Å; A408-V412 PolarHBondContact O-N 2.91Å; L409-V412 PolarHBondContact O-N 3.49Å; V412-Q414 VanDerWaalsContact C-N 3.31Å; V412-Q414 PolarHBondContact O-N 2.68Å; V412-L415 WeakPolarHBondContact O-CB 3.08Å; V412-L415 PolarHBondContact O-N 2.94Å; V412-Q416 HydrophobicContact CG1-CG 4.43Å; V412-Q416 WeakPolarHBondContact O-CG 3.33Å; V412-Q416 PolarHBondContact O-N 2.98Å
413	I	98.5	Very high	98.4	Very high	9 Å²	9	54 Å²	54	5%	0.046	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-44.3	178.6	-69.2	167.1	0	0	0	111	L382 L409 E410 L415 Q416 E417 Y517 L526 F530	L382-I413 HydrophobicContact CD1-CD1 4.24Å; L382-I413 HydrophobicContact CD1-CG1 4Å; L382-I413 HydrophobicContact CD2-CG1 3.89Å; L409-I413 WeakPolarHBondContact O-CB 3.32Å; L409-I413 VanDerWaalsContact O-CG1 3.26Å; L409-I413 WeakPolarHBondContact O-CG1 3.28Å; L409-I413 PolarHBondContact O-N 3.11Å; E410-I413 PolarHBondContact O-N 3.32Å; I413-L415 VanDerWaalsContact C-N 3.3Å; I413-L415 PolarHBondContact O-N 3.38Å; I413-Q416 PolarHBondContact O-N 2.86Å; I413-E417 HydrophobicContact CG2-CG 4.46Å; I413-E417 WeakPolarHBondContact O-CG 3.43Å; I413-E417 PolarHBondContact O-N 3.23Å; I413-Y517 HydrophobicContact CG2-CD1 4.45Å; I413-Y517 HydrophobicContact CG2-CE1 4.21Å; I413-L526 HydrophobicContact CD1-CD2 4.44Å; I413-F530 HydrophobicContact CD1-CE2 4.29Å; I413-F530 HydrophobicContact CD1-CZ 4.17Å
414	Q	98.4	Very high	98.3	Very high	117 Å²	117	55.9 Å²	55.9	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-36.2	177.1	-73.9	170.8	10.7	0	0	112.6	E410 V411 V412 K418	E410-Q414 WeakPolarHBondContact O-CB 3.48Å; E410-Q414 WeakPolarHBondContact O-CG 3.38Å; E410-Q414 PolarHBondContact O-N 3.33Å; V411-Q414 PolarHBondContact O-N 2.74Å; V412-Q414 VanDerWaalsContact C-N 3.31Å; V412-Q414 PolarHBondContact O-N 2.68Å; Q414-K418 VanDerWaalsContact O-CB 3.29Å; Q414-K418 WeakPolarHBondContact O-CB 3.46Å; Q414-K418 PolarHBondContact O-N 2.84Å
415	L	98.3	Very high	98.3	Very high	84 Å²	84	59.9 Å²	59.9	44%	0.44	29%	0.29	S	S	.	.	H	α-helix	trans	-68.4	-38.1	174.9	-70.7	173.1	0	0	0	111.9	V411 V412 I413 K418 H419	V411-L415 HydrophobicContact CG1-CD1 4.05Å; V411-L415 WeakPolarHBondContact O-CG 3.35Å; V411-L415 PolarHBondContact O-N 3.32Å; V412-L415 WeakPolarHBondContact O-CB 3.08Å; V412-L415 PolarHBondContact O-N 2.94Å; I413-L415 VanDerWaalsContact C-N 3.3Å; I413-L415 PolarHBondContact O-N 3.38Å; L415-K418 PolarHBondContact O-N 3.11Å; L415-H419 WeakPolarHBondContact O-CB 3.33Å; L415-H419 PolarHBondContact O-N 3.44Å
416	Q	98.3	Very high	98.2	Very high	63 Å²	63	64.3 Å²	64.3	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-65.9	-44.8	174.3	-61.4	-50.9	101.5	0	0	111.7	V412 I413 K418 H419 V420 Y517	V412-Q416 HydrophobicContact CG1-CG 4.43Å; V412-Q416 WeakPolarHBondContact O-CG 3.33Å; V412-Q416 PolarHBondContact O-N 2.98Å; I413-Q416 PolarHBondContact O-N 2.86Å; Q416-K418 VanDerWaalsContact C-N 3.31Å; Q416-K418 PolarHBondContact O-N 2.8Å; Q416-H419 PolarHBondContact O-N 3.06Å; Q416-V420 PolarHBondContact O-N 3.13Å; Q416-Y517 HydrophobicContact CB-CD1 3.88Å; Q416-Y517 HydrophobicContact CB-CD2 3.9Å; Q416-Y517 HydrophobicContact CB-CE1 3.74Å; Q416-Y517 HydrophobicContact CB-CE2 3.76Å; Q416-Y517 HydrophobicContact CB-CG 3.96Å; Q416-Y517 HydrophobicContact CG-CE1 4.29Å; Q416-Y517 HydrophobicContact CG-CE2 4.12Å
417	E	97.9	Very high	98.2	Very high	82 Å²	82	64.8 Å²	64.8	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-39.4	174.3	-72	177.8	174.6	0	0	112.3	I413 K421 Y517	I413-E417 HydrophobicContact CG2-CG 4.46Å; I413-E417 WeakPolarHBondContact O-CG 3.43Å; I413-E417 PolarHBondContact O-N 3.23Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.01Å; E417-Y517 HydrophobicContact CG-CD1 4.06Å
418	K	98.1	Very high	98.1	Very high	118 Å²	118	67.7 Å²	67.7	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-46	173.8	-177.9	-164.3	167.1	-164.7	0	110.7	Q414 L415 Q416 V420 K421 D422	Q414-K418 VanDerWaalsContact O-CB 3.29Å; Q414-K418 WeakPolarHBondContact O-CB 3.46Å; Q414-K418 PolarHBondContact O-N 2.84Å; L415-K418 PolarHBondContact O-N 3.11Å; Q416-K418 VanDerWaalsContact C-N 3.31Å; Q416-K418 PolarHBondContact O-N 2.8Å; K418-V420 VanDerWaalsContact C-N 3.33Å; K418-V420 PolarHBondContact O-N 3.38Å; K418-K421 WeakPolarHBondContact O-CB 3.44Å; K418-K421 PolarHBondContact O-N 3.25Å; K418-K421 VanDerWaalsContact O-N 3.08Å; K418-D422 WeakPolarHBondContact CE-OD2 3.38Å; K418-D422 PolarHBondContact O-N 2.77Å
419	H	97.8	Very high	98.1	Very high	95 Å²	95	74.5 Å²	74.5	44%	0.44	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-42	-179.6	178.3	48.3	0	0	0	112.2	L415 Q416 K421 D422 E423	L415-H419 WeakPolarHBondContact O-CB 3.33Å; L415-H419 PolarHBondContact O-N 3.44Å; Q416-H419 PolarHBondContact O-N 3.06Å; H419-K421 VanDerWaalsContact C-N 3.29Å; H419-K421 PolarHBondContact O-N 3.29Å; H419-D422 PolarHBondContact O-N 3.36Å; H419-D422 VanDerWaalsContact O-N 3.14Å; H419-E423 IonicContact CE1-OE1 3.28Å; H419-E423 PolarHBondContact CE1-OE1 2.89Å; H419-E423 WeakPolarHBondContact O-CG 3.49Å; H419-E423 PolarHBondContact O-N 3.29Å
420	V	98	Very high	98.1	Very high	22 Å²	22	78.9 Å²	78.9	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-57.7	-42.6	173.8	172.3	0	0	0	0	111.6	Q416 K418 E423 Q424 S514	Q416-V420 PolarHBondContact O-N 3.13Å; K418-V420 VanDerWaalsContact C-N 3.33Å; K418-V420 PolarHBondContact O-N 3.38Å; V420-E423 PolarHBondContact O-N 3.15Å; V420-Q424 VanDerWaalsContact O-CG 3.31Å; V420-Q424 WeakPolarHBondContact O-CG 3.36Å; V420-Q424 PolarHBondContact O-N 3.01Å; V420-S514 WeakPolarHBondContact CG1-O 3.23Å
421	K	97.7	Very high	98.1	Very high	123 Å²	123	73.4 Å²	73.4	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-39.1	176.2	-67.3	172.3	-175.1	169.8	0	112.3	E417 K418 H419 Q424 I425	E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.01Å; K418-K421 WeakPolarHBondContact O-CB 3.44Å; K418-K421 PolarHBondContact O-N 3.25Å; K418-K421 VanDerWaalsContact O-N 3.08Å; H419-K421 VanDerWaalsContact C-N 3.29Å; H419-K421 PolarHBondContact O-N 3.29Å; K421-Q424 PolarHBondContact O-N 3.14Å; K421-I425 WeakPolarHBondContact O-CB 3.38Å; K421-I425 VanDerWaalsContact O-CG1 3.24Å; K421-I425 WeakPolarHBondContact O-CG1 3.48Å; K421-I425 PolarHBondContact O-N 2.95Å
422	D	98.3	Very high	98	Very high	73 Å²	73	74.8 Å²	74.8	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-43	177.4	-71.6	-25.7	0	0	0	110.8	K418 H419 I425 E426	K418-D422 WeakPolarHBondContact CE-OD2 3.38Å; K418-D422 PolarHBondContact O-N 2.77Å; H419-D422 PolarHBondContact O-N 3.36Å; H419-D422 VanDerWaalsContact O-N 3.14Å; D422-I425 PolarHBondContact O-N 3.47Å; D422-E426 WeakPolarHBondContact O-CB 3.33Å; D422-E426 PolarHBondContact O-N 3.11Å
423	E	98.1	Very high	98	Very high	79 Å²	79	80.4 Å²	80.4	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.9	-74.2	-64.5	124.7	0	0	112.3	H419 V420 E426 H427 P513	H419-E423 IonicContact CE1-OE1 3.28Å; H419-E423 PolarHBondContact CE1-OE1 2.89Å; H419-E423 WeakPolarHBondContact O-CG 3.49Å; H419-E423 PolarHBondContact O-N 3.29Å; V420-E423 PolarHBondContact O-N 3.15Å; E423-E426 PolarHBondContact O-N 2.86Å; E423-H427 VanDerWaalsContact O-CB 3.31Å; E423-H427 WeakPolarHBondContact O-CB 3.22Å; E423-H427 PolarHBondContact O-N 3.21Å; E423-P513 HydrophobicContact CB-CB 4.32Å
424	Q	97.6	Very high	98	Very high	42 Å²	42	80.1 Å²	80.1	20%	0.196	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-48.3	174.5	-71.7	170.4	-3.6	0	0	111.2	V420 K421 E426 H427 W428 P513 S514 D515	V420-Q424 VanDerWaalsContact O-CG 3.31Å; V420-Q424 WeakPolarHBondContact O-CG 3.36Å; V420-Q424 PolarHBondContact O-N 3.01Å; K421-Q424 PolarHBondContact O-N 3.14Å; Q424-E426 VanDerWaalsContact C-N 3.31Å; Q424-E426 PolarHBondContact O-N 3.48Å; Q424-H427 PolarHBondContact O-N 3.36Å; Q424-W428 PolarHBondContact O-N 3.14Å; Q424-P513 HydrophobicContact CB-CG 4.5Å; Q424-P513 HydrophobicContact CG-CG 3.96Å; Q424-S514 PolarHBondContact NE2-O 2.97Å; Q424-D515 PolarHBondContact NE2-O 3.24Å
425	I	97.9	Very high	98	Very high	86 Å²	86	78.6 Å²	78.6	44%	0.441	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-43	178.5	-70.6	166.2	0	0	0	110.5	K421 D422 K429	K421-I425 WeakPolarHBondContact O-CB 3.38Å; K421-I425 VanDerWaalsContact O-CG1 3.24Å; K421-I425 WeakPolarHBondContact O-CG1 3.48Å; K421-I425 PolarHBondContact O-N 2.95Å; D422-I425 PolarHBondContact O-N 3.47Å; I425-K429 HydrophobicContact CG2-CD 4.02Å; I425-K429 WeakPolarHBondContact O-CB 3.49Å; I425-K429 VanDerWaalsContact O-CG 3.22Å; I425-K429 WeakPolarHBondContact O-CG 3.15Å; I425-K429 PolarHBondContact O-N 3.08Å
426	E	98.1	Very high	97.9	Very high	93 Å²	93	78.9 Å²	78.9	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-43.5	177.8	-170.5	-179.9	146	0	0	112	D422 E423 Q424 K429 K430	D422-E426 WeakPolarHBondContact O-CB 3.33Å; D422-E426 PolarHBondContact O-N 3.11Å; E423-E426 PolarHBondContact O-N 2.86Å; Q424-E426 VanDerWaalsContact C-N 3.31Å; Q424-E426 PolarHBondContact O-N 3.48Å; E426-K429 WeakPolarHBondContact O-CB 3.43Å; E426-K429 PolarHBondContact O-N 3.3Å; E426-K430 WeakPolarHBondContact O-CG 3.48Å; E426-K430 PolarHBondContact O-N 2.79Å; E426-K430 WeakPolarHBondContact OE1-CE 3.5Å; E426-K430 IonicContact OE1-NZ 2.72Å; E426-K430 PolarHBondContact OE1-NZ 3.29Å
427	H	97.9	Very high	97.9	Very high	21 Å²	21	79.6 Å²	79.6	10%	0.097	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-51.1	177	179.6	89.4	0	0	0	111.7	E423 Q424 K429 K430 I431 L508 N511 P513	E423-H427 VanDerWaalsContact O-CB 3.31Å; E423-H427 WeakPolarHBondContact O-CB 3.22Å; E423-H427 PolarHBondContact O-N 3.21Å; Q424-H427 PolarHBondContact O-N 3.36Å; H427-K429 VanDerWaalsContact C-N 3.3Å; H427-K429 PolarHBondContact O-N 3.2Å; H427-K430 WeakPolarHBondContact O-CB 3.22Å; H427-K430 PolarHBondContact O-N 3.36Å; H427-I431 WeakPolarHBondContact NE2-CD1 3.32Å; H427-I431 PolarHBondContact O-N 3.42Å; H427-I431 VanDerWaalsContact O-N 3.13Å; H427-L508 PolarHBondContact CE1-O 3.07Å; H427-L508 PolarHBondContact NE2-O 3.39Å; H427-N511 PolarHBondContact CE1-O 3.21Å; H427-P513 HydrophobicContact CB-CG 3.99Å
428	W	97.6	Very high	97.9	Very high	142 Å²	142	76.7 Å²	76.7	54%	0.538	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-32.6	178.5	-68.8	117	0	0	0	112.7	Q424 K430 I431 V432	Q424-W428 PolarHBondContact O-N 3.14Å; W428-K430 VanDerWaalsContact C-N 3.33Å; W428-K430 PolarHBondContact O-N 3.28Å; W428-I431 HydrophobicContact CD2-CD1 4.5Å; W428-I431 HydrophobicContact CE3-CB 4.39Å; W428-I431 HydrophobicContact CE3-CD1 3.57Å; W428-I431 HydrophobicContact CE3-CG2 4.39Å; W428-I431 HydrophobicContact CH2-CD1 4.43Å; W428-I431 HydrophobicContact CZ3-CD1 3.53Å; W428-I431 PolarHBondContact O-N 2.85Å; W428-V432 WeakPolarHBondContact O-CG2 3.23Å; W428-V432 PolarHBondContact O-N 2.95Å
429	K	98	Very high	97.9	Very high	143 Å²	143	77 Å²	77	62%	0.622	35%	0.352	S	S	*	.	H	α-helix	trans	-62.6	-38.1	171.1	-79.6	173	178.5	174	0	112.4	I425 E426 H427 I431 K433	I425-K429 HydrophobicContact CG2-CD 4.02Å; I425-K429 WeakPolarHBondContact O-CB 3.49Å; I425-K429 VanDerWaalsContact O-CG 3.22Å; I425-K429 WeakPolarHBondContact O-CG 3.15Å; I425-K429 PolarHBondContact O-N 3.08Å; E426-K429 WeakPolarHBondContact O-CB 3.43Å; E426-K429 PolarHBondContact O-N 3.3Å; H427-K429 VanDerWaalsContact C-N 3.3Å; H427-K429 PolarHBondContact O-N 3.2Å; K429-I431 VanDerWaalsContact C-N 3.35Å; K429-K433 VanDerWaalsContact O-CB 3.26Å; K429-K433 WeakPolarHBondContact O-CB 2.96Å; K429-K433 PolarHBondContact O-N 3.48Å
430	K	97.9	Very high	97.9	Very high	97 Å²	97	76.1 Å²	76.1	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-39.4	175.4	-71	168.1	-177.2	161.4	0	111.5	E426 H427 W428 T434 L508	E426-K430 WeakPolarHBondContact O-CG 3.48Å; E426-K430 PolarHBondContact O-N 2.79Å; E426-K430 WeakPolarHBondContact OE1-CE 3.5Å; E426-K430 IonicContact OE1-NZ 2.72Å; E426-K430 PolarHBondContact OE1-NZ 3.29Å; H427-K430 WeakPolarHBondContact O-CB 3.22Å; H427-K430 PolarHBondContact O-N 3.36Å; W428-K430 VanDerWaalsContact C-N 3.33Å; W428-K430 PolarHBondContact O-N 3.28Å; K430-T434 WeakPolarHBondContact O-CB 3.38Å; K430-T434 PolarHBondContact O-N 3.36Å; K430-T434 PolarHBondContact O-OG1 3.12Å; K430-L508 HydrophobicContact CB-CD1 4.28Å
431	I	98	Very high	97.9	Very high	4 Å²	4	75.6 Å²	75.6	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-54.8	173.6	-73.8	175.9	0	0	0	110.6	H427 W428 K429 K433 T434 Q435 L505 L508 E509	H427-I431 WeakPolarHBondContact NE2-CD1 3.32Å; H427-I431 PolarHBondContact O-N 3.42Å; H427-I431 VanDerWaalsContact O-N 3.13Å; W428-I431 HydrophobicContact CD2-CD1 4.5Å; W428-I431 HydrophobicContact CE3-CB 4.39Å; W428-I431 HydrophobicContact CE3-CD1 3.57Å; W428-I431 HydrophobicContact CE3-CG2 4.39Å; W428-I431 HydrophobicContact CH2-CD1 4.43Å; W428-I431 HydrophobicContact CZ3-CD1 3.53Å; W428-I431 PolarHBondContact O-N 2.85Å; K429-I431 VanDerWaalsContact C-N 3.35Å; I431-K433 VanDerWaalsContact C-N 3.3Å; I431-K433 PolarHBondContact O-N 3Å; I431-T434 PolarHBondContact O-N 3.42Å; I431-Q435 HydrophobicContact CG2-CG 4.4Å; I431-Q435 WeakPolarHBondContact O-CG 3.02Å; I431-Q435 PolarHBondContact O-N 3.16Å; I431-L505 HydrophobicContact CB-CD1 4.46Å; I431-L505 HydrophobicContact CG2-CD1 3.82Å; I431-L508 HydrophobicContact CD1-CB 4.07Å; I431-L508 HydrophobicContact CG1-CB 3.62Å; I431-L508 HydrophobicContact CG1-CD1 4.03Å; I431-L508 HydrophobicContact CG1-CG 4.41Å; I431-E509 HydrophobicContact CD1-CG 4.19Å
432	V	98.1	Very high	97.8	Very high	71 Å²	71	72.8 Å²	72.8	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-57.8	-44.3	179.9	171.2	0	0	0	0	111	W428 T434 Q435 E436	W428-V432 WeakPolarHBondContact O-CG2 3.23Å; W428-V432 PolarHBondContact O-N 2.95Å; V432-T434 VanDerWaalsContact C-N 3.32Å; V432-T434 PolarHBondContact O-N 3.29Å; V432-Q435 WeakPolarHBondContact O-CB 3.47Å; V432-Q435 PolarHBondContact O-N 2.84Å; V432-E436 HydrophobicContact CG1-CG 4.37Å; V432-E436 WeakPolarHBondContact O-CG 3.29Å; V432-E436 PolarHBondContact O-N 3.26Å
433	K	98.1	Very high	97.7	Very high	125 Å²	125	74 Å²	74	54%	0.543	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-44	176.1	-179.6	179.2	175.5	-178.2	0	112	K429 I431 Q435 E436 E437	K429-K433 VanDerWaalsContact O-CB 3.26Å; K429-K433 WeakPolarHBondContact O-CB 2.96Å; K429-K433 PolarHBondContact O-N 3.48Å; I431-K433 VanDerWaalsContact C-N 3.3Å; I431-K433 PolarHBondContact O-N 3Å; K433-Q435 VanDerWaalsContact C-N 3.35Å; K433-E436 PolarHBondContact O-N 3.32Å; K433-E437 WeakPolarHBondContact CE-OE1 3.14Å; K433-E437 WeakPolarHBondContact O-CG 3.28Å; K433-E437 PolarHBondContact O-N 3.41Å
434	T	97.8	Very high	97.7	Very high	3 Å²	3	76.4 Å²	76.4	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-68	-36.9	179.1	-56.7	0	0	0	0	111.1	K430 I431 V432 E437 L438 L501 K504 L505	K430-T434 WeakPolarHBondContact O-CB 3.38Å; K430-T434 PolarHBondContact O-N 3.36Å; K430-T434 PolarHBondContact O-OG1 3.12Å; I431-T434 PolarHBondContact O-N 3.42Å; V432-T434 VanDerWaalsContact C-N 3.32Å; V432-T434 PolarHBondContact O-N 3.29Å; T434-E437 PolarHBondContact O-N 3.07Å; T434-L438 WeakPolarHBondContact O-CB 3.21Å; T434-L438 PolarHBondContact O-N 2.82Å; T434-L501 HydrophobicContact CG2-CD2 4.26Å; T434-K504 HydrophobicContact CG2-CD 4.23Å; T434-K504 HydrophobicContact CG2-CG 4.36Å; T434-L505 HydrophobicContact CG2-CB 4.39Å
435	Q	97.7	Very high	97.7	Very high	84 Å²	84	74.8 Å²	74.8	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-37.3	172.9	-71.8	178.4	-12.5	0	0	112.5	I431 V432 K433 L438 R439 L505	I431-Q435 HydrophobicContact CG2-CG 4.4Å; I431-Q435 WeakPolarHBondContact O-CG 3.02Å; I431-Q435 PolarHBondContact O-N 3.16Å; V432-Q435 WeakPolarHBondContact O-CB 3.47Å; V432-Q435 PolarHBondContact O-N 2.84Å; K433-Q435 VanDerWaalsContact C-N 3.35Å; Q435-L438 PolarHBondContact O-N 3.48Å; Q435-R439 WeakPolarHBondContact O-CB 3.44Å; Q435-R439 PolarHBondContact O-N 2.79Å; Q435-L505 HydrophobicContact CG-CD1 3.76Å; Q435-L505 HydrophobicContact CG-CD2 3.91Å
436	E	98.1	Very high	97.6	Very high	91 Å²	91	74.9 Å²	74.9	43%	0.425	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-44.8	173.8	-73.5	-178.1	154.7	0	0	111.5	V432 K433 L438 R439 D440	V432-E436 HydrophobicContact CG1-CG 4.37Å; V432-E436 WeakPolarHBondContact O-CG 3.29Å; V432-E436 PolarHBondContact O-N 3.26Å; K433-E436 PolarHBondContact O-N 3.32Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.24Å; E436-R439 PolarHBondContact O-N 3.42Å; E436-D440 WeakPolarHBondContact O-CB 3.45Å; E436-D440 VanDerWaalsContact O-CG 3.26Å; E436-D440 PolarHBondContact O-N 3.43Å
437	E	97.8	Very high	97.5	Very high	77 Å²	77	73.8 Å²	73.8	36%	0.36	35%	0.353	S	S	.	.	H	α-helix	trans	-57.6	-43.5	173	-73.1	172	-168.6	0	0	111.1	K433 T434 L441 L501	K433-E437 WeakPolarHBondContact CE-OE1 3.14Å; K433-E437 WeakPolarHBondContact O-CG 3.28Å; K433-E437 PolarHBondContact O-N 3.41Å; T434-E437 PolarHBondContact O-N 3.07Å; E437-L441 WeakPolarHBondContact O-CB 3.31Å; E437-L441 PolarHBondContact O-N 3.18Å; E437-L501 HydrophobicContact CB-CD1 4.17Å; E437-L501 HydrophobicContact CB-CD2 4.39Å
438	L	97.7	Very high	97.4	Very high	22 Å²	22	73.1 Å²	73.1	12%	0.115	35%	0.35	C	S	.	.	H	α-helix	trans	-66.6	-44.8	176.9	-179.7	60.8	0	0	0	112	T434 Q435 E436 D440 L441 L442 Q498 L501 E502	T434-L438 WeakPolarHBondContact O-CB 3.21Å; T434-L438 PolarHBondContact O-N 2.82Å; Q435-L438 PolarHBondContact O-N 3.48Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.24Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 2.92Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 3.15Å; L438-L442 HydrophobicContact CD1-CD1 4.27Å; L438-L442 HydrophobicContact CD1-CG 4.14Å; L438-L442 HydrophobicContact CG-CD1 4.03Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.32Å; L438-L442 VanDerWaalsContact O-CG 3.24Å; L438-L442 WeakPolarHBondContact O-CG 3.39Å; L438-L442 PolarHBondContact O-N 3.49Å; L438-Q498 HydrophobicContact CD1-CG 3.82Å; L438-L501 HydrophobicContact CB-CB 4.41Å; L438-L501 HydrophobicContact CB-CD1 4.27Å; L438-L501 HydrophobicContact CD1-CB 4.17Å; L438-L501 HydrophobicContact CD1-CD1 4.46Å; L438-E502 HydrophobicContact CD1-CG 4.32Å; L438-E502 HydrophobicContact CD2-CG 4.08Å
439	R	97.4	Very high	97.3	Very high	124 Å²	124	70.5 Å²	70.5	47%	0.468	34%	0.342	S	S	.	.	H	α-helix	trans	-57.9	-46.5	176.4	179.9	-161.1	65.9	-146.6	-7.1	110.9	Q435 E436 L441 L442 N443	Q435-R439 WeakPolarHBondContact O-CB 3.44Å; Q435-R439 PolarHBondContact O-N 2.79Å; E436-R439 PolarHBondContact O-N 3.42Å; R439-L441 VanDerWaalsContact C-N 3.32Å; R439-L442 PolarHBondContact O-N 2.83Å; R439-N443 WeakPolarHBondContact O-CB 3.46Å; R439-N443 PolarHBondContact O-N 2.84Å; R439-N443 PolarHBondContact O-ND2 3.32Å
440	D	97.6	Very high	97.1	Very high	76 Å²	76	68.5 Å²	68.5	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-67.4	-36.3	-179.3	-67.6	-4.1	0	0	0	111.3	E436 L438 K444	E436-D440 WeakPolarHBondContact O-CB 3.45Å; E436-D440 VanDerWaalsContact O-CG 3.26Å; E436-D440 PolarHBondContact O-N 3.43Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 2.92Å; D440-K444 WeakPolarHBondContact O-CG 3.47Å; D440-K444 PolarHBondContact O-N 3.17Å; D440-K444 VanDerWaalsContact O-N 3.15Å
441	L	97.6	Very high	97	Very high	11 Å²	11	69.8 Å²	69.8	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-47.9	171.8	-173	77.7	0	0	0	111.9	E437 L438 R439 N443 K444 M445 L494 M497 Q498 L501	E437-L441 WeakPolarHBondContact O-CB 3.31Å; E437-L441 PolarHBondContact O-N 3.18Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 3.15Å; R439-L441 VanDerWaalsContact C-N 3.32Å; L441-N443 VanDerWaalsContact C-N 3.32Å; L441-N443 PolarHBondContact O-N 3.17Å; L441-K444 WeakPolarHBondContact O-CB 3.23Å; L441-K444 PolarHBondContact O-N 3.12Å; L441-K444 VanDerWaalsContact O-N 3.1Å; L441-M445 HydrophobicContact CG-SD 4.39Å; L441-M445 WeakPolarHBondContact O-CG 3.28Å; L441-M445 PolarHBondContact O-N 3.12Å; L441-L494 HydrophobicContact CD1-CB 4.38Å; L441-L494 HydrophobicContact CD1-CD2 3.5Å; L441-M497 HydrophobicContact CD1-CB 4.03Å; L441-M497 HydrophobicContact CD1-CE 4.26Å; L441-M497 HydrophobicContact CD1-SD 4.33Å; L441-M497 HydrophobicContact CD2-CB 3.83Å; L441-Q498 VanDerWaalsContact CD2-CA 3.42Å; L441-Q498 HydrophobicContact CD2-CB 3.83Å; L441-Q498 VanDerWaalsContact CD2-N 3.29Å; L441-L501 HydrophobicContact CB-CD1 4.48Å; L441-L501 HydrophobicContact CD2-CD1 3.96Å
442	L	96.8	Very high	96.9	Very high	64 Å²	64	70.6 Å²	70.6	34%	0.335	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-40.4	178.4	-71.3	173.6	0	0	0	111.5	L438 R439 K444 M445 V446 Q498	L438-L442 HydrophobicContact CD1-CD1 4.27Å; L438-L442 HydrophobicContact CD1-CG 4.14Å; L438-L442 HydrophobicContact CG-CD1 4.03Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.32Å; L438-L442 VanDerWaalsContact O-CG 3.24Å; L438-L442 WeakPolarHBondContact O-CG 3.39Å; L438-L442 PolarHBondContact O-N 3.49Å; R439-L442 PolarHBondContact O-N 2.83Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.05Å; L442-M445 HydrophobicContact CD2-SD 4.31Å; L442-M445 PolarHBondContact O-N 2.96Å; L442-V446 WeakPolarHBondContact O-CG2 3.25Å; L442-V446 PolarHBondContact O-N 2.69Å; L442-Q498 HydrophobicContact CD2-CG 4.14Å
443	N	96.9	Very high	96.7	Very high	99 Å²	99	73.6 Å²	73.6	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-42.7	173.5	-77	-30.7	0	0	0	111.8	R439 L441 V446 S447	R439-N443 WeakPolarHBondContact O-CB 3.46Å; R439-N443 PolarHBondContact O-N 2.84Å; R439-N443 PolarHBondContact O-ND2 3.32Å; L441-N443 VanDerWaalsContact C-N 3.32Å; L441-N443 PolarHBondContact O-N 3.17Å; N443-V446 PolarHBondContact O-N 3.42Å; N443-S447 PolarHBondContact O-N 3.06Å
444	K	96.7	Very high	96.6	Very high	130 Å²	130	73.5 Å²	73.5	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-63.1	-44.9	173.9	-71.7	173.4	-177.3	174.8	0	111.5	D440 L441 L442 V446 S447 T448 L494	D440-K444 WeakPolarHBondContact O-CG 3.47Å; D440-K444 PolarHBondContact O-N 3.17Å; D440-K444 VanDerWaalsContact O-N 3.15Å; L441-K444 WeakPolarHBondContact O-CB 3.23Å; L441-K444 PolarHBondContact O-N 3.12Å; L441-K444 VanDerWaalsContact O-N 3.1Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.05Å; K444-V446 PolarHBondContact O-N 2.95Å; K444-S447 PolarHBondContact O-N 3.05Å; K444-T448 WeakPolarHBondContact O-CB 3.22Å; K444-T448 PolarHBondContact O-N 2.9Å; K444-T448 PolarHBondContact O-OG1 2.87Å; K444-T448 VanDerWaalsContact O-OG1 3.1Å; K444-L494 HydrophobicContact CB-CD1 4.38Å
445	M	97.2	Very high	96.5	Very high	7 Å²	7	74.3 Å²	74.3	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-44.4	177.8	-70.1	178.1	73.9	0	0	112	L441 L442 T448 K449 Y491 L494 A495 Q498	L441-M445 HydrophobicContact CG-SD 4.39Å; L441-M445 WeakPolarHBondContact O-CG 3.28Å; L441-M445 PolarHBondContact O-N 3.12Å; L442-M445 HydrophobicContact CD2-SD 4.31Å; L442-M445 PolarHBondContact O-N 2.96Å; M445-T448 PolarHBondContact O-N 3.14Å; M445-K449 WeakPolarHBondContact O-CB 3.44Å; M445-K449 PolarHBondContact O-N 2.79Å; M445-Y491 HydrophobicContact CB-CE2 4.05Å; M445-Y491 HydrophobicContact CE-CE1 4.27Å; M445-Y491 HydrophobicContact CE-CE2 4.16Å; M445-Y491 WeakPolarHBondContact O-CE2 3.27Å; M445-L494 HydrophobicContact CG-CB 3.53Å; M445-L494 HydrophobicContact CG-CD1 4.02Å; M445-L494 HydrophobicContact CG-CG 4.34Å; M445-L494 HydrophobicContact SD-CB 4.14Å; M445-A495 HydrophobicContact CE-CB 3.82Å; M445-Q498 VanDerWaalsContact CE-OE1 3.3Å; M445-Q498 HydrophobicContact SD-CB 4.09Å
446	V	96.9	Very high	96.3	Very high	89 Å²	89	73.6 Å²	73.6	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-46.1	176	171	0	0	0	0	110.8	L442 N443 K444 K449 E450	L442-V446 WeakPolarHBondContact O-CG2 3.25Å; L442-V446 PolarHBondContact O-N 2.69Å; N443-V446 PolarHBondContact O-N 3.42Å; K444-V446 PolarHBondContact O-N 2.95Å; V446-K449 WeakPolarHBondContact O-CB 3.15Å; V446-K449 PolarHBondContact O-N 3.05Å; V446-E450 PolarHBondContact O-N 3.18Å; V446-E450 VanDerWaalsContact O-N 3.12Å
447	S	96	Very high	96.1	Very high	70 Å²	70	73.5 Å²	73.5	49%	0.49	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-43.1	176.6	-177.3	0	0	0	0	112.5	N443 K444 K449 E450 R451	N443-S447 PolarHBondContact O-N 3.06Å; K444-S447 PolarHBondContact O-N 3.05Å; S447-K449 VanDerWaalsContact C-N 3.34Å; S447-E450 PolarHBondContact O-N 3.36Å; S447-R451 WeakPolarHBondContact O-CG 3.15Å; S447-R451 PolarHBondContact O-N 3.35Å
448	T	95.2	Very high	95.9	Very high	6 Å²	6	72.7 Å²	72.7	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-38.5	178.3	-62.6	0	0	0	0	111	K444 M445 E450 R451 V452 Y491	K444-T448 WeakPolarHBondContact O-CB 3.22Å; K444-T448 PolarHBondContact O-N 2.9Å; K444-T448 PolarHBondContact O-OG1 2.87Å; K444-T448 VanDerWaalsContact O-OG1 3.1Å; M445-T448 PolarHBondContact O-N 3.14Å; T448-E450 PolarHBondContact O-N 3.35Å; T448-R451 PolarHBondContact O-N 3.16Å; T448-V452 HydrophobicContact CG2-CG2 4.44Å; T448-V452 WeakPolarHBondContact O-CG2 3.25Å; T448-V452 PolarHBondContact O-N 3.27Å; T448-Y491 HydrophobicContact CG2-CD2 4.29Å
449	K	95.1	Very high	95.8	Very high	87 Å²	87	74 Å²	74	38%	0.378	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-44.4	175.4	-176.8	176.6	-173.3	-175.1	0	112.6	W10 M445 V446 S447 V452 K453 Y491	W10-K449 HydrophobicContact CH2-CD 4.1Å; W10-K449 HydrophobicContact CH2-CG 3.83Å; W10-K449 HydrophobicContact CZ3-CD 3.96Å; W10-K449 HydrophobicContact CZ3-CG 3.79Å; M445-K449 WeakPolarHBondContact O-CB 3.44Å; M445-K449 PolarHBondContact O-N 2.79Å; V446-K449 WeakPolarHBondContact O-CB 3.15Å; V446-K449 PolarHBondContact O-N 3.05Å; S447-K449 VanDerWaalsContact C-N 3.34Å; K449-V452 PolarHBondContact O-N 3.46Å; K449-K453 WeakPolarHBondContact O-CB 3.32Å; K449-K453 PolarHBondContact O-N 3.11Å; K449-Y491 HydrophobicContact CB-CD2 4.44Å; K449-Y491 HydrophobicContact CB-CE2 3.95Å
450	E	95.6	Very high	95.6	Very high	102 Å²	102	72.9 Å²	72.9	48%	0.477	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-39.9	175.8	-72.7	-57.7	140.3	0	0	111.9	V446 S447 T448 K453 E454	V446-E450 PolarHBondContact O-N 3.18Å; V446-E450 VanDerWaalsContact O-N 3.12Å; S447-E450 PolarHBondContact O-N 3.36Å; T448-E450 PolarHBondContact O-N 3.35Å; E450-K453 WeakPolarHBondContact O-CB 3.35Å; E450-K453 PolarHBondContact O-N 3.36Å; E450-K453 IonicContact OE2-NZ 3.89Å; E450-E454 PolarHBondContact O-N 3.11Å
451	R	95.8	Very high	95.4	Very high	123 Å²	123	74.1 Å²	74.1	46%	0.464	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-41.2	174.3	-68.4	170.9	66.4	-154.2	0.8	112.5	S447 T448 K453 E454 L455 L487	S447-R451 WeakPolarHBondContact O-CG 3.15Å; S447-R451 PolarHBondContact O-N 3.35Å; T448-R451 PolarHBondContact O-N 3.16Å; R451-K453 VanDerWaalsContact C-N 3.33Å; R451-E454 PolarHBondContact O-N 2.96Å; R451-L455 VanDerWaalsContact O-CB 3.24Å; R451-L455 WeakPolarHBondContact O-CB 3.41Å; R451-L455 PolarHBondContact O-N 3.48Å; R451-L487 HydrophobicContact CB-CD1 4.2Å
452	V	95.1	Very high	95	Very high	21 Å²	21	74.1 Å²	74.1	13%	0.127	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-45	174.3	167.2	0	0	0	0	110.3	T448 K449 L455 H456 L484 L487	T448-V452 HydrophobicContact CG2-CG2 4.44Å; T448-V452 WeakPolarHBondContact O-CG2 3.25Å; T448-V452 PolarHBondContact O-N 3.27Å; K449-V452 PolarHBondContact O-N 3.46Å; V452-L455 PolarHBondContact O-N 2.95Å; V452-H456 WeakPolarHBondContact O-CB 3.46Å; V452-H456 PolarHBondContact O-N 3.2Å; V452-L484 HydrophobicContact CG1-CD1 3.93Å; V452-L487 HydrophobicContact CG2-CB 3.71Å
453	K	94.6	Very high	94.7	Very high	135 Å²	135	72.8 Å²	72.8	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-47.9	178.1	-178	-174.1	175.9	-170.4	0	112	K449 E450 R451 H456 Q457	K449-K453 WeakPolarHBondContact O-CB 3.32Å; K449-K453 PolarHBondContact O-N 3.11Å; E450-K453 WeakPolarHBondContact O-CB 3.35Å; E450-K453 PolarHBondContact O-N 3.36Å; E450-K453 IonicContact OE2-NZ 3.89Å; R451-K453 VanDerWaalsContact C-N 3.33Å; K453-H456 PolarHBondContact O-N 3.39Å; K453-Q457 PolarHBondContact O-N 2.95Å; K453-Q457 VanDerWaalsContact O-N 3.13Å
454	E	94.9	Very high	94.4	Very high	123 Å²	123	74 Å²	74	58%	0.575	35%	0.354	S	S	*	.	H	α-helix	trans	-62.3	-47.4	177.3	-170.6	-169.4	166.1	0	0	111.5	E450 R451 H456 Q457 Q458	E450-E454 PolarHBondContact O-N 3.11Å; R451-E454 PolarHBondContact O-N 2.96Å; E454-H456 VanDerWaalsContact C-N 3.32Å; E454-H456 PolarHBondContact O-N 2.92Å; E454-Q457 WeakPolarHBondContact O-CB 3.34Å; E454-Q457 PolarHBondContact O-N 3.41Å; E454-Q458 WeakPolarHBondContact O-CG 3.43Å; E454-Q458 PolarHBondContact O-N 2.9Å; E454-Q458 PolarHBondContact OE1-NE2 3.27Å
455	L	95	Very high	94	Very high	19 Å²	19	71.8 Å²	71.8	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-69	-32.6	-177.4	-166.3	67	0	0	0	112.4	R451 V452 Q458 Y459 K480 D483 L484 L487	R451-L455 VanDerWaalsContact O-CB 3.24Å; R451-L455 WeakPolarHBondContact O-CB 3.41Å; R451-L455 PolarHBondContact O-N 3.48Å; V452-L455 PolarHBondContact O-N 2.95Å; L455-Q458 PolarHBondContact O-N 3.43Å; L455-Y459 WeakPolarHBondContact O-CB 3.24Å; L455-Y459 PolarHBondContact O-N 3.46Å; L455-K480 HydrophobicContact CD1-CD 3.54Å; L455-D483 VanDerWaalsContact CD2-C 3.48Å; L455-D483 HydrophobicContact CD2-CB 3.67Å; L455-L484 HydrophobicContact CB-CD1 4.36Å; L455-L484 HydrophobicContact CD2-CB 4.1Å; L455-L484 VanDerWaalsContact CD2-N 3.35Å; L455-L484 HydrophobicContact CG-CB 4.41Å; L455-L487 HydrophobicContact CD2-CD1 3.7Å
456	H	95.1	Very high	93.5	Very high	70 Å²	70	80 Å²	80	32%	0.324	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-42.3	171.9	-177.1	73.5	0	0	0	111.6	V452 K453 E454 Y459 K460 L484	V452-H456 WeakPolarHBondContact O-CB 3.46Å; V452-H456 PolarHBondContact O-N 3.2Å; K453-H456 PolarHBondContact O-N 3.39Å; E454-H456 VanDerWaalsContact C-N 3.32Å; E454-H456 PolarHBondContact O-N 2.92Å; H456-Y459 PolarHBondContact O-N 3.24Å; H456-K460 WeakPolarHBondContact O-CB 3.12Å; H456-K460 PolarHBondContact O-N 3.34Å; H456-L484 HydrophobicContact CB-CD1 4.08Å; H456-L484 HydrophobicContact CB-CD2 4.2Å
457	Q	94.1	Very high	92.9	Very high	89 Å²	89	80.7 Å²	80.7	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-46.3	175.1	-177.1	58.8	36.2	0	0	111.2	K453 E454 Y459 K460 E461	K453-Q457 PolarHBondContact O-N 2.95Å; K453-Q457 VanDerWaalsContact O-N 3.13Å; E454-Q457 WeakPolarHBondContact O-CB 3.34Å; E454-Q457 PolarHBondContact O-N 3.41Å; Q457-Y459 VanDerWaalsContact C-N 3.34Å; Q457-Y459 PolarHBondContact O-N 3.26Å; Q457-K460 WeakPolarHBondContact O-CB 3.25Å; Q457-K460 PolarHBondContact O-N 3.35Å; Q457-K460 VanDerWaalsContact O-N 3.17Å; Q457-E461 WeakPolarHBondContact CG-OE1 3.5Å; Q457-E461 PolarHBondContact NE2-OE1 2.91Å; Q457-E461 WeakPolarHBondContact O-CG 3.33Å; Q457-E461 PolarHBondContact O-N 3.31Å
458	Q	93.3	Very high	92.2	Very high	59 Å²	59	83.8 Å²	83.8	28%	0.276	41%	0.411	S	S	.	.	H	α-helix	trans	-61.7	-39.7	175.5	-66.4	174.6	17.4	0	0	112.6	E454 L455 K460 A462 K480	E454-Q458 WeakPolarHBondContact O-CG 3.43Å; E454-Q458 PolarHBondContact O-N 2.9Å; E454-Q458 PolarHBondContact OE1-NE2 3.27Å; L455-Q458 PolarHBondContact O-N 3.43Å; Q458-K460 VanDerWaalsContact C-N 3.35Å; Q458-A462 WeakPolarHBondContact O-CB 3.45Å; Q458-A462 PolarHBondContact O-N 2.92Å; Q458-K480 HydrophobicContact CB-CD 4.4Å
459	Y	94.4	Very high	91.7	Very high	49 Å²	49	86.2 Å²	86.2	19%	0.192	42%	0.42	C	S	.	.	H	α-helix	trans	-63.3	-41.1	174.7	166.6	-101.6	0	0	0	111.8	L455 H456 Q457 A462 S463 V477 K480 H481	L455-Y459 WeakPolarHBondContact O-CB 3.24Å; L455-Y459 PolarHBondContact O-N 3.46Å; H456-Y459 PolarHBondContact O-N 3.24Å; Q457-Y459 VanDerWaalsContact C-N 3.34Å; Q457-Y459 PolarHBondContact O-N 3.26Å; Y459-A462 PolarHBondContact O-N 2.88Å; Y459-S463 WeakPolarHBondContact CE2-OG 3.49Å; Y459-S463 VanDerWaalsContact O-CB 3.25Å; Y459-S463 WeakPolarHBondContact O-CB 3.47Å; Y459-S463 PolarHBondContact O-N 3.38Å; Y459-S463 PolarHBondContact O-OG 2.92Å; Y459-V477 HydrophobicContact CE2-CG1 3.92Å; Y459-K480 HydrophobicContact CD2-CB 4.31Å; Y459-H481 HydrophobicContact CD2-CB 4.05Å; Y459-H481 HydrophobicContact CE2-CB 3.77Å
460	K	93.5	Very high	91.5	Very high	102 Å²	102	86.8 Å²	86.8	44%	0.443	43%	0.427	S	S	.	.	H	α-helix	trans	-63.8	-49.8	178.8	-173.2	-177.8	174.4	-175.1	0	110.9	H456 Q457 Q458 A462 S463 E464	H456-K460 WeakPolarHBondContact O-CB 3.12Å; H456-K460 PolarHBondContact O-N 3.34Å; Q457-K460 WeakPolarHBondContact O-CB 3.25Å; Q457-K460 PolarHBondContact O-N 3.35Å; Q457-K460 VanDerWaalsContact O-N 3.17Å; Q458-K460 VanDerWaalsContact C-N 3.35Å; K460-A462 PolarHBondContact O-N 3.22Å; K460-S463 CarbonylContact O-C 3.53Å; K460-S463 WeakPolarHBondContact O-CA 3.41Å; K460-S463 WeakPolarHBondContact O-CB 3.28Å; K460-S463 PolarHBondContact O-N 2.94Å; K460-E464 WeakPolarHBondContact O-CG 3.45Å; K460-E464 PolarHBondContact O-N 2.82Å
461	E	93.1	Very high	91.3	Very high	101 Å²	101	88.5 Å²	88.5	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-57.9	-46.7	175.7	-72	167.6	-168.3	0	0	111.7	Q457 S463 E464	Q457-E461 WeakPolarHBondContact CG-OE1 3.5Å; Q457-E461 PolarHBondContact NE2-OE1 2.91Å; Q457-E461 WeakPolarHBondContact O-CG 3.33Å; Q457-E461 PolarHBondContact O-N 3.31Å; E461-S463 PolarHBondContact O-N 3.35Å; E461-E464 PolarHBondContact O-N 3.19Å
462	A	90.3	Very high	91.1	Very high	11 Å²	11	87.2 Å²	87.2	9%	0.091	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-36.2	174.9	0	0	0	0	0	111.7	Q458 Y459 K460 E464 R469 L476 V477	Q458-A462 WeakPolarHBondContact O-CB 3.45Å; Q458-A462 PolarHBondContact O-N 2.92Å; Y459-A462 PolarHBondContact O-N 2.88Å; K460-A462 PolarHBondContact O-N 3.22Å; A462-E464 PolarHBondContact O-N 2.87Å; A462-R469 PolarHBondContact O-NH1 2.93Å; A462-L476 HydrophobicContact CB-CD2 4.13Å; A462-L476 HydrophobicContact CB-CG 4.1Å; A462-V477 HydrophobicContact CB-CG2 3.93Å; A462-V477 WeakPolarHBondContact O-CG2 3.25Å
463	S	89.9	Confident	90.7	Very high	37 Å²	37	87.2 Å²	87.2	26%	0.259	45%	0.446	S	S	.	.	H	α-helix	trans	-76.3	-16.1	-179.4	-61.7	0	0	0	0	113.9	Y459 K460 E461 V465 R469	Y459-S463 WeakPolarHBondContact CE2-OG 3.49Å; Y459-S463 VanDerWaalsContact O-CB 3.25Å; Y459-S463 WeakPolarHBondContact O-CB 3.47Å; Y459-S463 PolarHBondContact O-N 3.38Å; Y459-S463 PolarHBondContact O-OG 2.92Å; K460-S463 CarbonylContact O-C 3.53Å; K460-S463 WeakPolarHBondContact O-CA 3.41Å; K460-S463 WeakPolarHBondContact O-CB 3.28Å; K460-S463 PolarHBondContact O-N 2.94Å; E461-S463 PolarHBondContact O-N 3.35Å; S463-V465 VanDerWaalsContact C-N 3.34Å; S463-V465 PolarHBondContact O-N 2.87Å; S463-R469 PolarHBondContact O-NH2 2.95Å
464	E	91.1	Very high	90.5	Very high	124 Å²	124	84.4 Å²	84.4	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-74.8	-19.8	178.4	-76.6	175.1	-173.8	0	0	113.7	K460 E461 A462 K466	K460-E464 WeakPolarHBondContact O-CG 3.45Å; K460-E464 PolarHBondContact O-N 2.82Å; E461-E464 PolarHBondContact O-N 3.19Å; A462-E464 PolarHBondContact O-N 2.87Å; E464-K466 VanDerWaalsContact C-N 3.34Å; E464-K466 PolarHBondContact O-N 3.22Å
465	V	88.6	Confident	90.4	Very high	84 Å²	84	85.4 Å²	85.4	51%	0.509	44%	0.438	S	S	.	.	S	Bend	trans	-68.4	68.3	-177.1	-173.7	0	0	0	0	113.4	S463 R469	S463-V465 VanDerWaalsContact C-N 3.34Å; S463-V465 PolarHBondContact O-N 2.87Å; V465-R469 WeakPolarHBondContact O-CD 3.4Å; V465-R469 WeakPolarHBondContact O-CG 3.15Å; V465-R469 PolarHBondContact O-NE 3.24Å; V465-R469 PolarHBondContact O-NH1 2.94Å; V465-R469 PolarHBondContact O-NH2 3.4Å
466	K	85.6	Confident	90.3	Very high	179 Å²	179	88.3 Å²	88.3	78%	0.778	45%	0.453	S	S	*	.			trans	-36.9	140.5	-168.7	-65	-176.3	-179.7	178.6	0	118.1	E464	E464-K466 VanDerWaalsContact C-N 3.34Å; E464-K466 PolarHBondContact O-N 3.22Å
467	P	85.3	Confident	90.1	Very high	103 Å²	103	85.8 Å²	85.8	67%	0.669	44%	0.443	S	S	*	.	S	Bend	trans	-62.5	152.9	174.8	-19.6	32.2	0	0	0	114.4
468	P	80.3	Confident	90.1	Very high	136 Å²	136	87.8 Å²	87.8	88%	0.883	45%	0.45	S	S	*	.	S	Bend	cis	-77	139.5	0.6	31.2	-33.9	0	0	0	112.5
469	R	86.1	Confident	90.2	Very high	57 Å²	57	86.3 Å²	86.3	22%	0.215	45%	0.446	C	S	.	.			trans	-118.8	156.6	179.4	-38.8	176.7	-167.8	-145.8	-23.1	109.5	A462 S463 V465 A473	A462-R469 PolarHBondContact O-NH1 2.93Å; S463-R469 PolarHBondContact O-NH2 2.95Å; V465-R469 WeakPolarHBondContact O-CD 3.4Å; V465-R469 WeakPolarHBondContact O-CG 3.15Å; V465-R469 PolarHBondContact O-NE 3.24Å; V465-R469 PolarHBondContact O-NH1 2.94Å; V465-R469 PolarHBondContact O-NH2 3.4Å; R469-A473 HydrophobicContact CB-CB 3.87Å
470	D	90.2	Very high	90.1	Very high	98 Å²	98	86.2 Å²	86.2	52%	0.524	45%	0.446	S	S	.	.			trans	-69.9	167.3	171.5	71.7	41.8	0	0	0	112.1	T472 A473 E474	D470-T472 PolarHBondContact O-N 3.12Å; D470-T472 WeakPolarHBondContact OD1-CA 3.33Å; D470-T472 WeakPolarHBondContact OD1-CB 3.35Å; D470-T472 PolarHBondContact OD1-N 2.94Å; D470-T472 PolarHBondContact OD1-OG1 3.25Å; D470-A473 PolarHBondContact O-N 3.43Å; D470-A473 PolarHBondContact OD1-N 3.48Å; D470-E474 PolarHBondContact O-N 3.13Å
471	I	91.1	Very high	90.1	Very high	138 Å²	138	84.5 Å²	84.5	71%	0.708	44%	0.44	S	S	*	.	H	α-helix	trans	-64.3	-24.3	-176	-164.2	60.5	0	0	0	113.2	F475	I471-F475 WeakPolarHBondContact O-CB 3.35Å; I471-F475 PolarHBondContact O-N 2.83Å
472	T	91.6	Very high	90.2	Very high	96 Å²	96	87.8 Å²	87.8	59%	0.589	45%	0.448	S	S	*	.	H	α-helix	trans	-76.8	-39.2	179	67.6	0	0	0	0	111.3	D470 F475 L476	D470-T472 PolarHBondContact O-N 3.12Å; D470-T472 WeakPolarHBondContact OD1-CA 3.33Å; D470-T472 WeakPolarHBondContact OD1-CB 3.35Å; D470-T472 PolarHBondContact OD1-N 2.94Å; D470-T472 PolarHBondContact OD1-OG1 3.25Å; T472-F475 PolarHBondContact O-N 3.43Å; T472-L476 WeakPolarHBondContact O-CB 3.33Å; T472-L476 PolarHBondContact O-N 3.03Å
473	A	87.4	Confident	90.4	Very high	22 Å²	22	89.2 Å²	89.2	18%	0.182	45%	0.454	C	S	.	.	H	α-helix	trans	-67.4	-39.1	173.1	0	0	0	0	0	112	R469 D470 L476 V477	R469-A473 HydrophobicContact CB-CB 3.87Å; D470-A473 PolarHBondContact O-N 3.43Å; D470-A473 PolarHBondContact OD1-N 3.48Å; A473-L476 PolarHBondContact O-N 3.29Å; A473-V477 WeakPolarHBondContact O-CG2 3.18Å; A473-V477 PolarHBondContact O-N 2.91Å
474	E	90.1	Very high	90.6	Very high	76 Å²	76	88.2 Å²	88.2	36%	0.355	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-43.2	173.9	-169.1	63.3	-150.9	0	0	111.4	D470 L476 V477 K478	D470-E474 PolarHBondContact O-N 3.13Å; E474-L476 VanDerWaalsContact C-N 3.33Å; E474-L476 PolarHBondContact O-N 2.95Å; E474-V477 PolarHBondContact O-N 3.14Å; E474-K478 WeakPolarHBondContact O-CG 3.25Å; E474-K478 PolarHBondContact O-N 3.17Å; E474-K478 WeakPolarHBondContact OE1-CE 3.26Å
475	F	93.4	Very high	90.8	Very high	143 Å²	143	86 Å²	86	63%	0.627	44%	0.441	S	S	*	.	H	α-helix	trans	-59.2	-42.3	173.7	175.2	-98.4	0	0	0	111.9	I471 T472 V477 K478 S479	I471-F475 WeakPolarHBondContact O-CB 3.35Å; I471-F475 PolarHBondContact O-N 2.83Å; T472-F475 PolarHBondContact O-N 3.43Å; F475-V477 PolarHBondContact O-N 3.04Å; F475-K478 PolarHBondContact O-N 3.38Å; F475-S479 VanDerWaalsContact O-CB 3.25Å; F475-S479 WeakPolarHBondContact O-CB 3.4Å; F475-S479 PolarHBondContact O-N 3.06Å
476	L	92.5	Very high	91.1	Very high	80 Å²	80	84.8 Å²	84.8	42%	0.419	44%	0.44	S	S	.	.	H	α-helix	trans	-61	-45.4	179.4	-176.2	62.5	0	0	0	111.8	A462 T472 A473 E474 S479 K480	A462-L476 HydrophobicContact CB-CD2 4.13Å; A462-L476 HydrophobicContact CB-CG 4.1Å; T472-L476 WeakPolarHBondContact O-CB 3.33Å; T472-L476 PolarHBondContact O-N 3.03Å; A473-L476 PolarHBondContact O-N 3.29Å; E474-L476 VanDerWaalsContact C-N 3.33Å; E474-L476 PolarHBondContact O-N 2.95Å; L476-S479 PolarHBondContact O-N 2.8Å; L476-K480 HydrophobicContact CD1-CG 4.11Å; L476-K480 WeakPolarHBondContact O-CB 3.21Å; L476-K480 VanDerWaalsContact O-CG 3.24Å; L476-K480 WeakPolarHBondContact O-CG 3.31Å; L476-K480 PolarHBondContact O-N 2.93Å
477	V	91	Very high	91.5	Very high	18 Å²	18	77.1 Å²	77.1	11%	0.109	41%	0.407	C	S	.	.	H	α-helix	trans	-60.4	-48.1	175.5	173.9	0	0	0	0	110.9	Y459 A462 A473 E474 F475 H481	Y459-V477 HydrophobicContact CE2-CG1 3.92Å; A462-V477 HydrophobicContact CB-CG2 3.93Å; A462-V477 WeakPolarHBondContact O-CG2 3.25Å; A473-V477 WeakPolarHBondContact O-CG2 3.18Å; A473-V477 PolarHBondContact O-N 2.91Å; E474-V477 PolarHBondContact O-N 3.14Å; F475-V477 PolarHBondContact O-N 3.04Å; V477-H481 VanDerWaalsContact O-CB 3.26Å; V477-H481 WeakPolarHBondContact O-CB 2.81Å; V477-H481 PolarHBondContact O-N 3.33Å
478	K	93.1	Very high	92	Very high	131 Å²	131	74.5 Å²	74.5	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-66.3	-40.5	-179.4	-65.6	-69.3	-177.8	-179.1	0	112.6	E474 F475 H481 R482	E474-K478 WeakPolarHBondContact O-CG 3.25Å; E474-K478 PolarHBondContact O-N 3.17Å; E474-K478 WeakPolarHBondContact OE1-CE 3.26Å; F475-K478 PolarHBondContact O-N 3.38Å; K478-H481 PolarHBondContact O-N 3.15Å; K478-R482 PolarHBondContact O-N 2.93Å
479	S	94.9	Very high	92.7	Very high	27 Å²	27	74.3 Å²	74.3	19%	0.189	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-50.5	177.6	-171.4	0	0	0	0	110.8	F475 L476 H481 R482 D483	F475-S479 VanDerWaalsContact O-CB 3.25Å; F475-S479 WeakPolarHBondContact O-CB 3.4Å; F475-S479 PolarHBondContact O-N 3.06Å; L476-S479 PolarHBondContact O-N 2.8Å; S479-H481 VanDerWaalsContact C-N 3.28Å; S479-H481 PolarHBondContact O-N 3.47Å; S479-R482 WeakPolarHBondContact O-CB 3.23Å; S479-R482 PolarHBondContact O-N 3.3Å; S479-D483 PolarHBondContact O-N 3.07Å
480	K	93.3	Very high	93.1	Very high	47 Å²	47	75.6 Å²	75.6	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-35.7	178.3	-64.8	-67.2	174.8	179.2	0	112	L455 Q458 Y459 L476 L484	L455-K480 HydrophobicContact CD1-CD 3.54Å; Q458-K480 HydrophobicContact CB-CD 4.4Å; Y459-K480 HydrophobicContact CD2-CB 4.31Å; L476-K480 HydrophobicContact CD1-CG 4.11Å; L476-K480 WeakPolarHBondContact O-CB 3.21Å; L476-K480 VanDerWaalsContact O-CG 3.24Å; L476-K480 WeakPolarHBondContact O-CG 3.31Å; L476-K480 PolarHBondContact O-N 2.93Å; K480-L484 WeakPolarHBondContact O-CB 3.36Å; K480-L484 PolarHBondContact O-N 3.5Å
481	H	92.7	Very high	93.4	Very high	67 Å²	67	73.4 Å²	73.4	31%	0.31	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-44.3	173.3	-173.6	56.3	0	0	0	112.8	I3 Y459 V477 K478 S479 T485	I3-H481 VanDerWaalsContact CD1-CE1 3.41Å; I3-H481 WeakPolarHBondContact CD1-CE1 3.49Å; Y459-H481 HydrophobicContact CD2-CB 4.05Å; Y459-H481 HydrophobicContact CE2-CB 3.77Å; V477-H481 VanDerWaalsContact O-CB 3.26Å; V477-H481 WeakPolarHBondContact O-CB 2.81Å; V477-H481 PolarHBondContact O-N 3.33Å; K478-H481 PolarHBondContact O-N 3.15Å; S479-H481 VanDerWaalsContact C-N 3.28Å; S479-H481 PolarHBondContact O-N 3.47Å; H481-T485 WeakPolarHBondContact O-CB 3.42Å; H481-T485 PolarHBondContact O-N 2.82Å; H481-T485 PolarHBondContact O-OG1 3.45Å
482	R	95.8	Very high	93.6	Very high	170 Å²	170	71.4 Å²	71.4	64%	0.642	36%	0.36	S	S	*	.	H	α-helix	trans	-60.3	-50.6	174.7	-175.7	-154.6	77.6	171.3	5.5	111.1	K478 S479 L484 T485 A486	K478-R482 PolarHBondContact O-N 2.93Å; S479-R482 WeakPolarHBondContact O-CB 3.23Å; S479-R482 PolarHBondContact O-N 3.3Å; R482-L484 VanDerWaalsContact C-N 3.33Å; R482-L484 PolarHBondContact O-N 3.24Å; R482-T485 PolarHBondContact O-N 3.19Å; R482-A486 PolarHBondContact O-N 3.04Å
483	D	94.9	Very high	93.8	Very high	40 Å²	40	71.5 Å²	71.5	21%	0.214	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-39.4	-176.5	-64.1	-19.8	0	0	0	111.4	L455 S479 A486 L487	L455-D483 VanDerWaalsContact CD2-C 3.48Å; L455-D483 HydrophobicContact CD2-CB 3.67Å; S479-D483 PolarHBondContact O-N 3.07Å; D483-A486 PolarHBondContact O-N 2.81Å; D483-L487 PolarHBondContact O-N 3.17Å
484	L	94.7	Very high	94.2	Very high	17 Å²	17	71.4 Å²	71.4	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-43.9	174.2	-177.4	64.6	0	0	0	111.6	V452 L455 H456 K480 R482 A486 L487 C488	V452-L484 HydrophobicContact CG1-CD1 3.93Å; L455-L484 HydrophobicContact CB-CD1 4.36Å; L455-L484 HydrophobicContact CD2-CB 4.1Å; L455-L484 VanDerWaalsContact CD2-N 3.35Å; L455-L484 HydrophobicContact CG-CB 4.41Å; H456-L484 HydrophobicContact CB-CD1 4.08Å; H456-L484 HydrophobicContact CB-CD2 4.2Å; K480-L484 WeakPolarHBondContact O-CB 3.36Å; K480-L484 PolarHBondContact O-N 3.5Å; R482-L484 VanDerWaalsContact C-N 3.33Å; R482-L484 PolarHBondContact O-N 3.24Å; L484-A486 VanDerWaalsContact C-N 3.31Å; L484-A486 PolarHBondContact O-N 3.11Å; L484-L487 PolarHBondContact O-N 3.05Å; L484-C488 PolarHBondContact O-N 2.85Å; L484-C488 PolarHBondContact O-SG 3.39Å
485	T	94.5	Very high	94.5	Very high	77 Å²	77	69.1 Å²	69.1	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-40	177.4	-55.5	0	0	0	0	111.5	H481 R482 K489	H481-T485 WeakPolarHBondContact O-CB 3.42Å; H481-T485 PolarHBondContact O-N 2.82Å; H481-T485 PolarHBondContact O-OG1 3.45Å; R482-T485 PolarHBondContact O-N 3.19Å; T485-K489 PolarHBondContact O-N 2.79Å; T485-K489 VanDerWaalsContact O-N 3.11Å
486	A	94.9	Very high	94.6	Very high	59 Å²	59	68.4 Å²	68.4	49%	0.488	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-44.8	177	0	0	0	0	0	112.2	R482 D483 L484 K489 E490	R482-A486 PolarHBondContact O-N 3.04Å; D483-A486 PolarHBondContact O-N 2.81Å; L484-A486 VanDerWaalsContact C-N 3.31Å; L484-A486 PolarHBondContact O-N 3.11Å; A486-K489 PolarHBondContact O-N 2.9Å; A486-E490 PolarHBondContact O-N 2.78Å
487	L	94.6	Very high	94.8	Very high	17 Å²	17	69.4 Å²	69.4	9%	0.089	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-36.1	177.4	-75.8	176.4	0	0	0	113.2	R451 V452 L455 D483 L484 K489 E490 Y491	R451-L487 HydrophobicContact CB-CD1 4.2Å; V452-L487 HydrophobicContact CG2-CB 3.71Å; L455-L487 HydrophobicContact CD2-CD1 3.7Å; D483-L487 PolarHBondContact O-N 3.17Å; L484-L487 PolarHBondContact O-N 3.05Å; L487-K489 VanDerWaalsContact C-N 3.32Å; L487-E490 PolarHBondContact O-N 3.01Å; L487-Y491 PolarHBondContact O-N 2.95Å
488	C	94.3	Very high	95.1	Very high	48 Å²	48	70.7 Å²	70.7	32%	0.324	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-41.6	173.5	-70.6	0	0	0	0	111.2	L484 Y491 D492	L484-C488 PolarHBondContact O-N 2.85Å; L484-C488 PolarHBondContact O-SG 3.39Å; C488-Y491 WeakPolarHBondContact O-CB 3.45Å; C488-Y491 PolarHBondContact O-N 2.89Å; C488-D492 PolarHBondContact O-N 2.84Å
489	K	95.6	Very high	95.4	Very high	133 Å²	133	67.9 Å²	67.9	58%	0.578	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-43.6	175.5	-171.4	-173.7	176.3	-159.4	0	111.9	T485 A486 L487 Y491 D492 E493	T485-K489 PolarHBondContact O-N 2.79Å; T485-K489 VanDerWaalsContact O-N 3.11Å; A486-K489 PolarHBondContact O-N 2.9Å; L487-K489 VanDerWaalsContact C-N 3.32Å; K489-Y491 VanDerWaalsContact C-N 3.29Å; K489-Y491 PolarHBondContact O-N 2.89Å; K489-D492 PolarHBondContact O-N 2.76Å; K489-E493 VanDerWaalsContact CE-OE1 3.23Å; K489-E493 WeakPolarHBondContact CE-OE1 3.37Å; K489-E493 IonicContact NZ-OE1 3.68Å; K489-E493 WeakPolarHBondContact O-CG 3.17Å; K489-E493 PolarHBondContact O-N 3.47Å
490	E	95.3	Very high	95.5	Very high	83 Å²	83	73 Å²	73	39%	0.388	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-41.3	174.4	-174	-176.2	166.2	0	0	111.3	A486 L487 E493 L494	A486-E490 PolarHBondContact O-N 2.78Å; L487-E490 PolarHBondContact O-N 3.01Å; E490-E493 PolarHBondContact O-N 2.75Å; E490-L494 VanDerWaalsContact O-CG 3.3Å; E490-L494 WeakPolarHBondContact O-CG 3.35Å; E490-L494 PolarHBondContact O-N 3.37Å; E490-L494 VanDerWaalsContact O-N 3.09Å
491	Y	95.9	Very high	95.6	Very high	52 Å²	52	71.9 Å²	71.9	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-41.7	175.9	-173.7	-86.9	0	0	0	112.7	M445 T448 K449 L487 C488 K489 L494 A495	M445-Y491 HydrophobicContact CB-CE2 4.05Å; M445-Y491 HydrophobicContact CE-CE1 4.27Å; M445-Y491 HydrophobicContact CE-CE2 4.16Å; M445-Y491 WeakPolarHBondContact O-CE2 3.27Å; T448-Y491 HydrophobicContact CG2-CD2 4.29Å; K449-Y491 HydrophobicContact CB-CD2 4.44Å; K449-Y491 HydrophobicContact CB-CE2 3.95Å; L487-Y491 PolarHBondContact O-N 2.95Å; C488-Y491 WeakPolarHBondContact O-CB 3.45Å; C488-Y491 PolarHBondContact O-N 2.89Å; K489-Y491 VanDerWaalsContact C-N 3.29Å; K489-Y491 PolarHBondContact O-N 2.89Å; Y491-L494 PolarHBondContact O-N 2.94Å; Y491-A495 PolarHBondContact O-N 3.35Å
492	D	95.3	Very high	95.9	Very high	96 Å²	96	72 Å²	72	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-41.8	177.6	-68.7	-25.7	0	0	0	111.3	C488 K489 L494 A495 E496	C488-D492 PolarHBondContact O-N 2.84Å; K489-D492 PolarHBondContact O-N 2.76Å; D492-L494 PolarHBondContact O-N 2.9Å; D492-A495 PolarHBondContact O-N 3.01Å; D492-E496 PolarHBondContact O-N 3.28Å
493	E	96	Very high	96	Very high	98 Å²	98	69.6 Å²	69.6	46%	0.458	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-41.4	174.4	-71.1	173.5	-169.4	0	0	111.7	K489 E490 E496 M497	K489-E493 VanDerWaalsContact CE-OE1 3.23Å; K489-E493 WeakPolarHBondContact CE-OE1 3.37Å; K489-E493 IonicContact NZ-OE1 3.68Å; K489-E493 WeakPolarHBondContact O-CG 3.17Å; K489-E493 PolarHBondContact O-N 3.47Å; E490-E493 PolarHBondContact O-N 2.75Å; E493-E496 PolarHBondContact O-N 3.42Å; E493-M497 WeakPolarHBondContact O-CG 3.47Å; E493-M497 PolarHBondContact O-N 2.92Å; E493-M497 VanDerWaalsContact O-N 3.09Å
494	L	96.1	Very high	96.1	Very high	20 Å²	20	72.1 Å²	72.1	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-37.9	174.5	-65.8	169.5	0	0	0	112.1	L441 K444 M445 E490 Y491 D492 M497 Q498	L441-L494 HydrophobicContact CD1-CB 4.38Å; L441-L494 HydrophobicContact CD1-CD2 3.5Å; K444-L494 HydrophobicContact CB-CD1 4.38Å; M445-L494 HydrophobicContact CG-CB 3.53Å; M445-L494 HydrophobicContact CG-CD1 4.02Å; M445-L494 HydrophobicContact CG-CG 4.34Å; M445-L494 HydrophobicContact SD-CB 4.14Å; E490-L494 VanDerWaalsContact O-CG 3.3Å; E490-L494 WeakPolarHBondContact O-CG 3.35Å; E490-L494 PolarHBondContact O-N 3.37Å; E490-L494 VanDerWaalsContact O-N 3.09Å; Y491-L494 PolarHBondContact O-N 2.94Å; D492-L494 PolarHBondContact O-N 2.9Å; L494-M497 WeakPolarHBondContact O-CB 3.32Å; L494-M497 PolarHBondContact O-N 2.92Å; L494-Q498 PolarHBondContact O-N 3.23Å
495	A	95.8	Very high	96.2	Very high	29 Å²	29	72.3 Å²	72.3	24%	0.24	37%	0.367	C	S	.	.	H	α-helix	trans	-66.3	-38	176.5	0	0	0	0	0	112.1	M445 Y491 D492 M497 Q498 V499	M445-A495 HydrophobicContact CE-CB 3.82Å; Y491-A495 PolarHBondContact O-N 3.35Å; D492-A495 PolarHBondContact O-N 3.01Å; A495-M497 VanDerWaalsContact C-N 3.34Å; A495-Q498 WeakPolarHBondContact O-CB 3.38Å; A495-Q498 PolarHBondContact O-N 3.34Å; A495-V499 PolarHBondContact O-N 3.2Å
496	E	96.4	Very high	96.4	Very high	127 Å²	127	74.8 Å²	74.8	59%	0.593	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-39.4	171.8	-73.2	-175.9	-175.9	0	0	112.1	D492 E493 Q498 K500	D492-E496 PolarHBondContact O-N 3.28Å; E493-E496 PolarHBondContact O-N 3.42Å; E496-Q498 VanDerWaalsContact C-N 3.3Å; E496-Q498 PolarHBondContact O-N 2.61Å; E496-K500 PolarHBondContact O-N 2.86Å
497	M	96.4	Very high	96.5	Very high	101 Å²	101	78.2 Å²	78.2	50%	0.498	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-34.8	173.7	-70.3	-178.4	67.3	0	0	112.2	L441 E493 L494 A495 K500 L501	L441-M497 HydrophobicContact CD1-CB 4.03Å; L441-M497 HydrophobicContact CD1-CE 4.26Å; L441-M497 HydrophobicContact CD1-SD 4.33Å; L441-M497 HydrophobicContact CD2-CB 3.83Å; E493-M497 WeakPolarHBondContact O-CG 3.47Å; E493-M497 PolarHBondContact O-N 2.92Å; E493-M497 VanDerWaalsContact O-N 3.09Å; L494-M497 WeakPolarHBondContact O-CB 3.32Å; L494-M497 PolarHBondContact O-N 2.92Å; A495-M497 VanDerWaalsContact C-N 3.34Å; M497-K500 PolarHBondContact O-N 3.47Å; M497-L501 PolarHBondContact O-N 3.17Å; M497-L501 VanDerWaalsContact O-N 3.11Å
498	Q	97.5	Very high	96.6	Very high	45 Å²	45	78.9 Å²	78.9	21%	0.21	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-50.6	178.5	-175.9	-167.5	-18	0	0	110.3	L438 L441 L442 M445 L494 A495 E496 K500 L501 E502	L438-Q498 HydrophobicContact CD1-CG 3.82Å; L441-Q498 VanDerWaalsContact CD2-CA 3.42Å; L441-Q498 HydrophobicContact CD2-CB 3.83Å; L441-Q498 VanDerWaalsContact CD2-N 3.29Å; L442-Q498 HydrophobicContact CD2-CG 4.14Å; M445-Q498 VanDerWaalsContact CE-OE1 3.3Å; M445-Q498 HydrophobicContact SD-CB 4.09Å; L494-Q498 PolarHBondContact O-N 3.23Å; A495-Q498 WeakPolarHBondContact O-CB 3.38Å; A495-Q498 PolarHBondContact O-N 3.34Å; E496-Q498 VanDerWaalsContact C-N 3.3Å; E496-Q498 PolarHBondContact O-N 2.61Å; Q498-K500 VanDerWaalsContact C-N 3.29Å; Q498-K500 PolarHBondContact O-N 3.29Å; Q498-L501 PolarHBondContact O-N 3.32Å; Q498-L501 VanDerWaalsContact O-N 3.13Å; Q498-E502 HydrophobicContact CG-CG 4.42Å; Q498-E502 PolarHBondContact NE2-OE1 3.41Å; Q498-E502 WeakPolarHBondContact O-CG 3.47Å; Q498-E502 PolarHBondContact O-N 3.46Å
499	V	97.5	Very high	96.7	Very high	72 Å²	72	81.5 Å²	81.5	44%	0.436	39%	0.39	S	S	.	.	H	α-helix	trans	-56.8	-44.7	179.2	175.8	0	0	0	0	111	A495 L501 E502 E503	A495-V499 PolarHBondContact O-N 3.2Å; V499-L501 VanDerWaalsContact C-N 3.35Å; V499-L501 PolarHBondContact O-N 2.98Å; V499-E502 PolarHBondContact O-N 3.21Å; V499-E503 HydrophobicContact CG1-CG 4.36Å; V499-E503 WeakPolarHBondContact O-CG 3.13Å; V499-E503 PolarHBondContact O-N 2.91Å
500	K	97.2	Very high	96.7	Very high	134 Å²	134	78.6 Å²	78.6	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-61.7	-39.9	178.4	-71.2	175.6	-179.1	169.2	0	113.1	E496 M497 Q498 K504	E496-K500 PolarHBondContact O-N 2.86Å; M497-K500 PolarHBondContact O-N 3.47Å; Q498-K500 VanDerWaalsContact C-N 3.29Å; Q498-K500 PolarHBondContact O-N 3.29Å; K500-K504 WeakPolarHBondContact O-CB 3.48Å; K500-K504 PolarHBondContact O-N 3.35Å; K500-K504 VanDerWaalsContact O-N 3.1Å
501	L	97.1	Very high	96.8	Very high	25 Å²	25	79.8 Å²	79.8	13%	0.131	40%	0.4	C	S	.	.	H	α-helix	trans	-71.5	-36.8	177.4	-71.2	177.4	0	0	0	111.7	T434 E437 L438 L441 M497 Q498 V499 L505	T434-L501 HydrophobicContact CG2-CD2 4.26Å; E437-L501 HydrophobicContact CB-CD1 4.17Å; E437-L501 HydrophobicContact CB-CD2 4.39Å; L438-L501 HydrophobicContact CB-CB 4.41Å; L438-L501 HydrophobicContact CB-CD1 4.27Å; L438-L501 HydrophobicContact CD1-CB 4.17Å; L438-L501 HydrophobicContact CD1-CD1 4.46Å; L441-L501 HydrophobicContact CB-CD1 4.48Å; L441-L501 HydrophobicContact CD2-CD1 3.96Å; M497-L501 PolarHBondContact O-N 3.17Å; M497-L501 VanDerWaalsContact O-N 3.11Å; Q498-L501 PolarHBondContact O-N 3.32Å; Q498-L501 VanDerWaalsContact O-N 3.13Å; V499-L501 VanDerWaalsContact C-N 3.35Å; V499-L501 PolarHBondContact O-N 2.98Å; L501-L505 WeakPolarHBondContact O-CB 3.49Å; L501-L505 PolarHBondContact O-N 2.89Å
502	E	97.6	Very high	96.8	Very high	70 Å²	70	81.1 Å²	81.1	33%	0.327	42%	0.415	S	S	.	.	H	α-helix	trans	-65.7	-43.1	174.8	-72.5	174.8	169.8	0	0	111.9	L438 Q498 V499 L505 Q506	L438-E502 HydrophobicContact CD1-CG 4.32Å; L438-E502 HydrophobicContact CD2-CG 4.08Å; Q498-E502 HydrophobicContact CG-CG 4.42Å; Q498-E502 PolarHBondContact NE2-OE1 3.41Å; Q498-E502 WeakPolarHBondContact O-CG 3.47Å; Q498-E502 PolarHBondContact O-N 3.46Å; V499-E502 PolarHBondContact O-N 3.21Å; E502-L505 PolarHBondContact O-N 2.98Å; E502-Q506 WeakPolarHBondContact O-CG 3.23Å; E502-Q506 PolarHBondContact O-N 3.49Å
503	E	97.6	Very high	96.9	Very high	118 Å²	118	78.5 Å²	78.5	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-60.7	-46.9	174.2	-75.1	175.3	169.7	0	0	111.5	V499 L505 Q506 E507	V499-E503 HydrophobicContact CG1-CG 4.36Å; V499-E503 WeakPolarHBondContact O-CG 3.13Å; V499-E503 PolarHBondContact O-N 2.91Å; E503-L505 VanDerWaalsContact C-N 3.28Å; E503-L505 PolarHBondContact O-N 3.18Å; E503-Q506 PolarHBondContact O-N 3.11Å; E503-E507 PolarHBondContact O-N 3.19Å
504	K	97.5	Very high	96.9	Very high	93 Å²	93	77.9 Å²	77.9	40%	0.404	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-36.8	176.4	-176.9	179.4	175.9	-171.9	0	112.3	T434 K500 E507 L508	T434-K504 HydrophobicContact CG2-CD 4.23Å; T434-K504 HydrophobicContact CG2-CG 4.36Å; K500-K504 WeakPolarHBondContact O-CB 3.48Å; K500-K504 PolarHBondContact O-N 3.35Å; K500-K504 VanDerWaalsContact O-N 3.1Å; K504-E507 PolarHBondContact O-N 3.4Å; K504-L508 WeakPolarHBondContact O-CG 3.32Å; K504-L508 PolarHBondContact O-N 2.91Å; K504-L508 VanDerWaalsContact O-N 3.08Å
505	L	97.5	Very high	96.9	Very high	21 Å²	21	83.4 Å²	83.4	11%	0.11	44%	0.439	C	S	.	.	H	α-helix	trans	-66.6	-44.9	177	-174.8	62.4	0	0	0	111	I431 T434 Q435 L501 E502 E503 E507 L508 E509	I431-L505 HydrophobicContact CB-CD1 4.46Å; I431-L505 HydrophobicContact CG2-CD1 3.82Å; T434-L505 HydrophobicContact CG2-CB 4.39Å; Q435-L505 HydrophobicContact CG-CD1 3.76Å; Q435-L505 HydrophobicContact CG-CD2 3.91Å; L501-L505 WeakPolarHBondContact O-CB 3.49Å; L501-L505 PolarHBondContact O-N 2.89Å; E502-L505 PolarHBondContact O-N 2.98Å; E503-L505 VanDerWaalsContact C-N 3.28Å; E503-L505 PolarHBondContact O-N 3.18Å; L505-E507 VanDerWaalsContact C-N 3.32Å; L505-E507 PolarHBondContact O-N 3.04Å; L505-L508 PolarHBondContact O-N 2.94Å; L505-E509 WeakPolarHBondContact O-CG 3.44Å; L505-E509 PolarHBondContact O-N 3.19Å
506	Q	97.4	Very high	97	Very high	130 Å²	130	85.7 Å²	85.7	61%	0.607	45%	0.45	S	S	*	.	H	α-helix	trans	-61.4	-40.5	175.1	-71.5	175.8	13.3	0	0	112.1	E502 E503 E509 A510	E502-Q506 WeakPolarHBondContact O-CG 3.23Å; E502-Q506 PolarHBondContact O-N 3.49Å; E503-Q506 PolarHBondContact O-N 3.11Å; Q506-E509 PolarHBondContact O-N 3.3Å; Q506-A510 VanDerWaalsContact O-CB 3.26Å; Q506-A510 WeakPolarHBondContact O-CB 3.43Å; Q506-A510 PolarHBondContact O-N 3.41Å
507	E	97.6	Very high	97	Very high	130 Å²	130	81.7 Å²	81.7	61%	0.607	43%	0.43	S	S	*	.	H	α-helix	trans	-60.3	-45.1	175.7	-175.5	-175.7	179.8	0	0	111.5	E503 K504 L505 N511	E503-E507 PolarHBondContact O-N 3.19Å; K504-E507 PolarHBondContact O-N 3.4Å; L505-E507 VanDerWaalsContact C-N 3.32Å; L505-E507 PolarHBondContact O-N 3.04Å; E507-N511 PolarHBondContact O-N 3.33Å; E507-N511 PolarHBondContact O-ND2 3.16Å
508	L	96.8	Very high	97.1	Very high	32 Å²	32	78.4 Å²	78.4	17%	0.168	41%	0.414	C	S	.	.	H	α-helix	trans	-65.1	-47.3	176.9	-69.5	170.4	0	0	0	111.2	H427 K430 I431 K504 L505 A510 N511	H427-L508 PolarHBondContact CE1-O 3.07Å; H427-L508 PolarHBondContact NE2-O 3.39Å; K430-L508 HydrophobicContact CB-CD1 4.28Å; I431-L508 HydrophobicContact CD1-CB 4.07Å; I431-L508 HydrophobicContact CG1-CB 3.62Å; I431-L508 HydrophobicContact CG1-CD1 4.03Å; I431-L508 HydrophobicContact CG1-CG 4.41Å; K504-L508 WeakPolarHBondContact O-CG 3.32Å; K504-L508 PolarHBondContact O-N 2.91Å; K504-L508 VanDerWaalsContact O-N 3.08Å; L505-L508 PolarHBondContact O-N 2.94Å; L508-A510 VanDerWaalsContact C-N 3.26Å; L508-A510 PolarHBondContact O-N 3.34Å; L508-N511 PolarHBondContact O-N 3.11Å
509	E	96.2	Very high	97.1	Very high	102 Å²	102	78.3 Å²	78.3	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-29.3	-179.7	-72.1	175.5	172.5	0	0	113.2	I431 L505 Q506	I431-E509 HydrophobicContact CD1-CG 4.19Å; L505-E509 WeakPolarHBondContact O-CG 3.44Å; L505-E509 PolarHBondContact O-N 3.19Å; Q506-E509 PolarHBondContact O-N 3.3Å
510	A	96.8	Very high	97	Very high	72 Å²	72	79.8 Å²	79.8	60%	0.595	43%	0.432	S	S	*	.	H	α-helix	trans	-79.7	-17.1	178.3	0	0	0	0	0	114	Q506 L508 P512	Q506-A510 VanDerWaalsContact O-CB 3.26Å; Q506-A510 WeakPolarHBondContact O-CB 3.43Å; Q506-A510 PolarHBondContact O-N 3.41Å; L508-A510 VanDerWaalsContact C-N 3.26Å; L508-A510 PolarHBondContact O-N 3.34Å; A510-P512 WeakPolarHBondContact O-CD 3.41Å
511	N	96.4	Very high	96.8	Very high	108 Å²	108	77.5 Å²	77.5	58%	0.578	42%	0.42	S	S	*	.	S	Bend	trans	-125	62.6	-174	-62.1	-71.6	0	0	0	112.1	H427 E507 L508	H427-N511 PolarHBondContact CE1-O 3.21Å; E507-N511 PolarHBondContact O-N 3.33Å; E507-N511 PolarHBondContact O-ND2 3.16Å; L508-N511 PolarHBondContact O-N 3.11Å
512	P	96.5	Very high	96.8	Very high	81 Å²	81	77 Å²	77	53%	0.526	42%	0.417	S	S	.	.			trans	-67.3	148.8	175.1	30.4	-35.2	0	0	0	110.9	A510	A510-P512 WeakPolarHBondContact O-CD 3.41Å
513	P	96.8	Very high	96.8	Very high	41 Å²	41	77.4 Å²	77.4	27%	0.266	42%	0.415	S	S	.	.			trans	-67.9	175.1	170.2	31.1	-35.3	0	0	0	111.1	E423 Q424 H427 D515	E423-P513 HydrophobicContact CB-CB 4.32Å; Q424-P513 HydrophobicContact CB-CG 4.5Å; Q424-P513 HydrophobicContact CG-CG 3.96Å; H427-P513 HydrophobicContact CB-CG 3.99Å; P513-D515 PolarHBondContact O-N 3.21Å
514	S	96.3	Very high	96.8	Very high	84 Å²	84	74.8 Å²	74.8	59%	0.587	40%	0.403	S	S	*	.			trans	-51.2	136.6	175.8	-59.2	0	0	0	0	112.2	V420 Q424	V420-S514 WeakPolarHBondContact CG1-O 3.23Å; Q424-S514 PolarHBondContact NE2-O 2.97Å
515	D	96.1	Very high	96.9	Very high	136 Å²	136	70.3 Å²	70.3	73%	0.727	38%	0.384	S	S	*	.	S	Bend	trans	-76.7	-39.5	-180	-172.8	34.3	0	0	0	112.2	Q424 P513	Q424-D515 PolarHBondContact NE2-O 3.24Å; P513-D515 PolarHBondContact O-N 3.21Å
516	V	97.4	Very high	96.9	Very high	78 Å²	78	69.4 Å²	69.4	47%	0.473	38%	0.379	S	S	.	.			trans	-136.7	155.7	177.8	-63.2	0	0	0	0	110.1
517	Y	97.7	Very high	97	Very high	43 Å²	43	63.4 Å²	63.4	17%	0.169	35%	0.351	C	S	.	.	S	Bend	trans	-71.6	-53.8	169.3	171.8	-126.1	0	0	0	110.8	E378 L382 I413 Q416 E417	E378-Y517 HydrophobicContact CG-CE2 4.31Å; E378-Y517 WeakPolarHBondContact CG-OH 3.4Å; E378-Y517 VanDerWaalsContact OE1-CE2 3.28Å; E378-Y517 WeakPolarHBondContact OE1-CE2 3.48Å; E378-Y517 VanDerWaalsContact OE1-CZ 3.27Å; E378-Y517 PolarHBondContact OE1-OH 3.28Å; L382-Y517 WeakPolarHBondContact CD2-OH 3.46Å; I413-Y517 HydrophobicContact CG2-CD1 4.45Å; I413-Y517 HydrophobicContact CG2-CE1 4.21Å; Q416-Y517 HydrophobicContact CB-CD1 3.88Å; Q416-Y517 HydrophobicContact CB-CD2 3.9Å; Q416-Y517 HydrophobicContact CB-CE1 3.74Å; Q416-Y517 HydrophobicContact CB-CE2 3.76Å; Q416-Y517 HydrophobicContact CB-CG 3.96Å; Q416-Y517 HydrophobicContact CG-CE1 4.29Å; Q416-Y517 HydrophobicContact CG-CE2 4.12Å; E417-Y517 HydrophobicContact CG-CD1 4.06Å
518	L	97	Very high	97	Very high	31 Å²	31	57.9 Å²	57.9	16%	0.162	33%	0.325	C	S	.	.	S	Bend	trans	-135.1	133	175.2	-66.7	171.2	0	0	0	109.5	D522 L526	L518-D522 HydrophobicContact CB-CB 4.21Å; L518-D522 HydrophobicContact CD2-CB 3.87Å; L518-L526 HydrophobicContact CD1-CD2 3.54Å
519	S	97.3	Very high	97.1	Very high	44 Å²	44	56.9 Å²	56.9	31%	0.308	32%	0.319	S	S	.	.			trans	-71.6	167.9	168.6	73.3	0	0	0	0	110.9	R521 D522 R523	S519-R521 PolarHBondContact O-N 3.1Å; S519-D522 VanDerWaalsContact CB-OD2 3.27Å; S519-D522 WeakPolarHBondContact CB-OD2 3.48Å; S519-D522 PolarHBondContact N-OD2 3.39Å; S519-D522 PolarHBondContact O-N 3.04Å; S519-D522 PolarHBondContact OG-N 3.24Å; S519-D522 PolarHBondContact OG-OD2 3.07Å; S519-R523 WeakPolarHBondContact O-CB 3.33Å; S519-R523 PolarHBondContact O-N 2.94Å
520	S	95.6	Very high	97.2	Very high	102 Å²	102	52.2 Å²	52.2	71%	0.713	30%	0.297	S	S	*	.	H	α-helix	trans	-57.8	-35.3	175.9	-52.6	0	0	0	0	112.9	Q524	S520-Q524 WeakPolarHBondContact O-CG 3.27Å; S520-Q524 PolarHBondContact O-N 2.68Å; S520-Q524 VanDerWaalsContact O-N 3.1Å
521	R	94.6	Very high	97.3	Very high	87 Å²	87	48.8 Å²	48.8	33%	0.328	27%	0.269	S	S	.	.	H	α-helix	trans	-70.9	-43.9	177.2	-173.9	177.9	174.3	-139	-2.1	111.5	E355 S519 R523 Q524 I525	E355-R521 VanDerWaalsContact CD-NE 3.28Å; E355-R521 IonicContact OE1-CZ 3.88Å; E355-R521 VanDerWaalsContact OE1-CZ 3.24Å; E355-R521 IonicContact OE1-NE 2.89Å; E355-R521 PolarHBondContact OE1-NE 3.08Å; E355-R521 IonicContact OE1-NH2 2.71Å; E355-R521 PolarHBondContact OE1-NH2 3.04Å; E355-R521 WeakPolarHBondContact OE2-CD 3.18Å; E355-R521 IonicContact OE2-CZ 3.57Å; E355-R521 IonicContact OE2-NE 3.07Å; E355-R521 PolarHBondContact OE2-NE 3.1Å; E355-R521 IonicContact OE2-NH2 3.51Å; S519-R521 PolarHBondContact O-N 3.1Å; R521-R523 VanDerWaalsContact C-N 3.28Å; R521-R523 PolarHBondContact O-N 2.87Å; R521-Q524 PolarHBondContact O-N 3.1Å; R521-I525 HydrophobicContact CG-CD1 4.42Å; R521-I525 WeakPolarHBondContact O-CG1 3.46Å; R521-I525 PolarHBondContact O-N 3.02Å; R521-I525 VanDerWaalsContact O-N 3.16Å
522	D	96.9	Very high	97.4	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-40	175.9	-53.8	-44.7	0	0	0	110.6	K371 V375 L518 S519 Q524 I525 L526	K371-D522 WeakPolarHBondContact CE-OD1 3.21Å; K371-D522 IonicContact NZ-OD1 3.22Å; K371-D522 PolarHBondContact NZ-OD1 3.45Å; K371-D522 IonicContact NZ-OD2 3.08Å; V375-D522 HydrophobicContact CG2-CB 4.19Å; L518-D522 HydrophobicContact CB-CB 4.21Å; L518-D522 HydrophobicContact CD2-CB 3.87Å; S519-D522 VanDerWaalsContact CB-OD2 3.27Å; S519-D522 WeakPolarHBondContact CB-OD2 3.48Å; S519-D522 PolarHBondContact N-OD2 3.39Å; S519-D522 PolarHBondContact O-N 3.04Å; S519-D522 PolarHBondContact OG-N 3.24Å; S519-D522 PolarHBondContact OG-OD2 3.07Å; D522-Q524 PolarHBondContact O-N 3.3Å; D522-I525 PolarHBondContact O-N 3.35Å; D522-L526 WeakPolarHBondContact O-CB 3.49Å; D522-L526 PolarHBondContact O-N 2.93Å
523	R	97.8	Very high	97.6	Very high	79 Å²	79	43.5 Å²	43.5	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-38	176.5	176.7	56.8	-165.3	-108.8	5	113.1	S519 R521 L526 D527	S519-R523 WeakPolarHBondContact O-CB 3.33Å; S519-R523 PolarHBondContact O-N 2.94Å; R521-R523 VanDerWaalsContact C-N 3.28Å; R521-R523 PolarHBondContact O-N 2.87Å; R523-L526 PolarHBondContact O-N 2.66Å; R523-D527 IonicContact CZ-OD1 3.66Å; R523-D527 IonicContact NE-OD1 3.96Å; R523-D527 PolarHBondContact NE-OD1 3.32Å; R523-D527 IonicContact NE-OD2 2.8Å; R523-D527 PolarHBondContact NE-OD2 3.07Å; R523-D527 IonicContact NH2-OD1 3.57Å; R523-D527 PolarHBondContact NH2-OD1 3.01Å; R523-D527 IonicContact NH2-OD2 3.87Å; R523-D527 WeakPolarHBondContact O-CB 3.43Å; R523-D527 PolarHBondContact O-N 3.39Å
524	Q	97.3	Very high	97.7	Very high	63 Å²	63	41.9 Å²	41.9	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-42.4	175.7	-77	170.7	-27.2	0	0	111.7	S520 R521 D522 D527 W528 V678 S680	S520-Q524 WeakPolarHBondContact O-CG 3.27Å; S520-Q524 PolarHBondContact O-N 2.68Å; S520-Q524 VanDerWaalsContact O-N 3.1Å; R521-Q524 PolarHBondContact O-N 3.1Å; D522-Q524 PolarHBondContact O-N 3.3Å; Q524-D527 PolarHBondContact O-N 3.18Å; Q524-W528 PolarHBondContact O-N 3.43Å; Q524-W528 VanDerWaalsContact O-N 3.15Å; Q524-V678 HydrophobicContact CB-CG1 3.87Å; Q524-V678 VanDerWaalsContact O-CG1 3.31Å; Q524-V678 WeakPolarHBondContact O-CG1 3.38Å; Q524-S680 PolarHBondContact NE2-O 3.43Å
525	I	97.9	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-42.1	175.3	-60.2	162.7	0	0	0	109.8	L353 V367 V375 R521 D522 D527 W528 H529 V678	L353-I525 HydrophobicContact CD1-CG2 4.02Å; V367-I525 HydrophobicContact CG1-CD1 3.78Å; V367-I525 HydrophobicContact CG2-CD1 4.18Å; V367-I525 HydrophobicContact CG2-CG1 4.27Å; V375-I525 HydrophobicContact CB-CB 4.47Å; V375-I525 HydrophobicContact CB-CG2 3.95Å; V375-I525 HydrophobicContact CG1-CB 4.06Å; V375-I525 HydrophobicContact CG1-CG2 3.75Å; V375-I525 HydrophobicContact CG2-CB 4.38Å; V375-I525 HydrophobicContact CG2-CG2 4.29Å; R521-I525 HydrophobicContact CG-CD1 4.42Å; R521-I525 WeakPolarHBondContact O-CG1 3.46Å; R521-I525 PolarHBondContact O-N 3.02Å; R521-I525 VanDerWaalsContact O-N 3.16Å; D522-I525 PolarHBondContact O-N 3.35Å; I525-D527 VanDerWaalsContact C-N 3.3Å; I525-D527 PolarHBondContact O-N 3.21Å; I525-W528 WeakPolarHBondContact O-CA 3.43Å; I525-W528 VanDerWaalsContact O-CB 3.24Å; I525-W528 WeakPolarHBondContact O-CB 3.48Å; I525-W528 PolarHBondContact O-N 3.04Å; I525-H529 PolarHBondContact O-CD2 3.18Å; I525-H529 PolarHBondContact O-N 3.04Å; I525-V678 HydrophobicContact CG1-CG1 4.42Å
526	L	98.6	Very high	97.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-40.3	174.9	179.5	61.8	0	0	0	111.8	V375 F379 L382 I413 L518 D522 R523 W528 H529 F530	V375-L526 HydrophobicContact CG1-CB 3.81Å; V375-L526 HydrophobicContact CG1-CD1 4.39Å; F379-L526 HydrophobicContact CB-CD1 3.67Å; F379-L526 HydrophobicContact CD2-CD1 4.1Å; F379-L526 HydrophobicContact CG-CD1 4.37Å; L382-L526 HydrophobicContact CD1-CD1 4.2Å; L382-L526 HydrophobicContact CD1-CD2 3.87Å; I413-L526 HydrophobicContact CD1-CD2 4.44Å; L518-L526 HydrophobicContact CD1-CD2 3.54Å; D522-L526 WeakPolarHBondContact O-CB 3.49Å; D522-L526 PolarHBondContact O-N 2.93Å; R523-L526 PolarHBondContact O-N 2.66Å; L526-W528 PolarHBondContact O-N 3.19Å; L526-H529 PolarHBondContact O-N 3.28Å; L526-H529 VanDerWaalsContact O-N 3.09Å; L526-F530 HydrophobicContact CD1-CE1 4.34Å; L526-F530 HydrophobicContact CD1-CE2 4.19Å; L526-F530 HydrophobicContact CD1-CZ 3.94Å; L526-F530 HydrophobicContact CD2-CE2 3.84Å; L526-F530 HydrophobicContact CD2-CZ 3.97Å; L526-F530 HydrophobicContact CG-CD2 4.18Å; L526-F530 HydrophobicContact CG-CE2 3.59Å; L526-F530 HydrophobicContact CG-CZ 3.82Å; L526-F530 PolarHBondContact O-N 3.17Å
527	D	98.7	Very high	97.9	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-27.1	174.5	-80.9	-32.8	0	0	0	112.5	R523 Q524 I525 F530 A531 T682 R685	R523-D527 IonicContact CZ-OD1 3.66Å; R523-D527 IonicContact NE-OD1 3.96Å; R523-D527 PolarHBondContact NE-OD1 3.32Å; R523-D527 IonicContact NE-OD2 2.8Å; R523-D527 PolarHBondContact NE-OD2 3.07Å; R523-D527 IonicContact NH2-OD1 3.57Å; R523-D527 PolarHBondContact NH2-OD1 3.01Å; R523-D527 IonicContact NH2-OD2 3.87Å; R523-D527 WeakPolarHBondContact O-CB 3.43Å; R523-D527 PolarHBondContact O-N 3.39Å; Q524-D527 PolarHBondContact O-N 3.18Å; I525-D527 VanDerWaalsContact C-N 3.3Å; I525-D527 PolarHBondContact O-N 3.21Å; D527-F530 PolarHBondContact O-N 3.42Å; D527-A531 WeakPolarHBondContact O-CB 3.35Å; D527-A531 PolarHBondContact O-N 3.15Å; D527-T682 WeakPolarHBondContact OD2-CA 3.44Å; D527-T682 WeakPolarHBondContact OD2-CB 3.45Å; D527-T682 PolarHBondContact OD2-OG1 3.06Å; D527-R685 HydrophobicContact CB-CB 4.05Å; D527-R685 WeakPolarHBondContact O-CD 3.39Å; D527-R685 IonicContact OD1-NH1 3.24Å; D527-R685 PolarHBondContact OD1-NH1 3.07Å
528	W	98.7	Very high	97.9	Very high	15 Å²	15	31.3 Å²	31.3	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-42.3	170.3	-178.2	93.5	0	0	0	111.7	L353 Q524 I525 L526 F530 A531 N532 V678 F689 L690	L353-W528 HydrophobicContact CD1-CD2 4.17Å; L353-W528 HydrophobicContact CD1-CE3 3.94Å; L353-W528 HydrophobicContact CD1-CZ3 4.36Å; L353-W528 HydrophobicContact CD2-CD2 3.66Å; L353-W528 VanDerWaalsContact CD2-CE2 3.42Å; L353-W528 HydrophobicContact CD2-CE3 3.85Å; L353-W528 HydrophobicContact CD2-CG 4.39Å; L353-W528 HydrophobicContact CD2-CH2 3.68Å; L353-W528 HydrophobicContact CD2-CZ2 3.45Å; L353-W528 VanDerWaalsContact CD2-CZ2 3.45Å; L353-W528 HydrophobicContact CD2-CZ3 3.87Å; Q524-W528 PolarHBondContact O-N 3.43Å; Q524-W528 VanDerWaalsContact O-N 3.15Å; I525-W528 WeakPolarHBondContact O-CA 3.43Å; I525-W528 VanDerWaalsContact O-CB 3.24Å; I525-W528 WeakPolarHBondContact O-CB 3.48Å; I525-W528 PolarHBondContact O-N 3.04Å; L526-W528 PolarHBondContact O-N 3.19Å; W528-F530 VanDerWaalsContact C-N 3.35Å; W528-F530 PolarHBondContact O-N 3.19Å; W528-A531 WeakPolarHBondContact O-CB 3.31Å; W528-A531 PolarHBondContact O-N 2.74Å; W528-N532 HydrophobicContact CZ3-CB 4.5Å; W528-N532 PolarHBondContact O-N 2.96Å; W528-V678 HydrophobicContact CB-CG2 4.4Å; W528-F689 AromaticContact CD1-CD2 3.81Å; W528-F689 AromaticContact CE2-CD2 3.97Å; W528-F689 HydrophobicContact CG-CD2 4.46Å; W528-F689 HydrophobicContact CZ2-CE2 4.46Å; W528-F689 AromaticContact NE1-CD2 3.48Å; W528-F689 PolarHBondContact NE1-O 2.88Å; W528-L690 HydrophobicContact CZ2-CD1 4.22Å
529	H	98.8	Very high	98	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.046	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-39.2	174.2	-69	-86.9	0	0	0	111.7	F379 I525 L526 A531 N532 L533	F379-H529 HydrophobicContact CB-CB 4.14Å; F379-H529 HydrophobicContact CD1-CB 3.99Å; F379-H529 HydrophobicContact CD2-CB 3.61Å; F379-H529 HydrophobicContact CE1-CB 4.3Å; F379-H529 HydrophobicContact CE2-CB 3.95Å; F379-H529 HydrophobicContact CG-CB 3.62Å; F379-H529 HydrophobicContact CZ-CB 4.27Å; I525-H529 PolarHBondContact O-CD2 3.18Å; I525-H529 PolarHBondContact O-N 3.04Å; L526-H529 PolarHBondContact O-N 3.28Å; L526-H529 VanDerWaalsContact O-N 3.09Å; H529-A531 VanDerWaalsContact C-N 3.34Å; H529-A531 PolarHBondContact O-N 2.8Å; H529-N532 WeakPolarHBondContact O-CB 3.1Å; H529-N532 PolarHBondContact O-N 3.23Å; H529-L533 PolarHBondContact O-N 3.29Å
530	F	98.8	Very high	98.1	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.022	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-41.3	171.1	-66.6	-37.1	0	0	0	112.3	F379 L382 L409 I413 L526 D527 W528 N532 L533 E534 L541 R685	F379-F530 AromaticContact CD2-CD1 3.92Å; F379-F530 HydrophobicContact CD2-CD1 3.92Å; F379-F530 AromaticContact CD2-CE1 3.8Å; F379-F530 HydrophobicContact CD2-CE1 3.8Å; F379-F530 AromaticContact CE2-CD1 3.73Å; F379-F530 HydrophobicContact CE2-CD1 3.73Å; F379-F530 AromaticContact CE2-CE1 3.94Å; F379-F530 HydrophobicContact CE2-CE1 3.94Å; L382-F530 HydrophobicContact CD1-CZ 4.31Å; L409-F530 HydrophobicContact CD1-CD1 4.06Å; L409-F530 HydrophobicContact CD1-CE1 3.65Å; L409-F530 HydrophobicContact CD1-CZ 4.27Å; L409-F530 HydrophobicContact CD2-CE1 3.95Å; L409-F530 HydrophobicContact CD2-CZ 4.28Å; L409-F530 HydrophobicContact CG-CE1 4.34Å; I413-F530 HydrophobicContact CD1-CE2 4.29Å; I413-F530 HydrophobicContact CD1-CZ 4.17Å; L526-F530 HydrophobicContact CD1-CE1 4.34Å; L526-F530 HydrophobicContact CD1-CE2 4.19Å; L526-F530 HydrophobicContact CD1-CZ 3.94Å; L526-F530 HydrophobicContact CD2-CE2 3.84Å; L526-F530 HydrophobicContact CD2-CZ 3.97Å; L526-F530 HydrophobicContact CG-CD2 4.18Å; L526-F530 HydrophobicContact CG-CE2 3.59Å; L526-F530 HydrophobicContact CG-CZ 3.82Å; L526-F530 PolarHBondContact O-N 3.17Å; D527-F530 PolarHBondContact O-N 3.42Å; W528-F530 VanDerWaalsContact C-N 3.35Å; W528-F530 PolarHBondContact O-N 3.19Å; F530-N532 VanDerWaalsContact C-N 3.27Å; F530-N532 PolarHBondContact O-N 3.25Å; F530-L533 PolarHBondContact O-N 2.65Å; F530-E534 VanDerWaalsContact O-CG 3.32Å; F530-E534 WeakPolarHBondContact O-CG 3.3Å; F530-E534 PolarHBondContact O-N 3.02Å; F530-L541 HydrophobicContact CB-CD1 3.91Å; F530-L541 HydrophobicContact CD1-CD1 3.77Å; F530-L541 HydrophobicContact CG-CD1 4.01Å; F530-R685 VanDerWaalsContact CB-NH1 3.27Å
531	A	98.8	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-36.9	174.3	0	0	0	0	0	112.1	D527 W528 H529 E534 F535 R685 F689	D527-A531 WeakPolarHBondContact O-CB 3.35Å; D527-A531 PolarHBondContact O-N 3.15Å; W528-A531 WeakPolarHBondContact O-CB 3.31Å; W528-A531 PolarHBondContact O-N 2.74Å; H529-A531 VanDerWaalsContact C-N 3.34Å; H529-A531 PolarHBondContact O-N 2.8Å; A531-E534 PolarHBondContact O-N 3.08Å; A531-F535 WeakPolarHBondContact O-CB 3.31Å; A531-F535 PolarHBondContact O-N 3.27Å; A531-R685 HydrophobicContact CB-CB 4.16Å; A531-R685 HydrophobicContact CB-CG 3.92Å; A531-R685 VanDerWaalsContact CB-O 3.25Å; A531-R685 WeakPolarHBondContact CB-O 3.23Å; A531-F689 HydrophobicContact CB-CD2 3.83Å; A531-F689 HydrophobicContact CB-CE2 4.24Å; A531-F689 HydrophobicContact CB-CG 4.06Å
532	N	98.7	Very high	98.4	Very high	58 Å²	58	23.2 Å²	23.2	31%	0.31	13%	0.127	S	C	.	.	H	α-helix	trans	-66.1	-39	175.5	-164.2	42.8	0	0	0	111.9	W528 H529 F530 F535 A536 F689	W528-N532 HydrophobicContact CZ3-CB 4.5Å; W528-N532 PolarHBondContact O-N 2.96Å; H529-N532 WeakPolarHBondContact O-CB 3.1Å; H529-N532 PolarHBondContact O-N 3.23Å; F530-N532 VanDerWaalsContact C-N 3.27Å; F530-N532 PolarHBondContact O-N 3.25Å; N532-F535 WeakPolarHBondContact O-CB 3.06Å; N532-F535 PolarHBondContact O-N 3.19Å; N532-A536 PolarHBondContact O-N 3.08Å; N532-F689 HydrophobicContact CB-CE2 3.91Å
533	L	98.8	Very high	98.5	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.099	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-38.5	173.3	-172.5	61.6	0	0	0	112.3	F379 L383 L405 H529 F530 F535 A536 N537 L541 W549	F379-L533 HydrophobicContact CE2-CD2 4.41Å; F379-L533 HydrophobicContact CZ-CB 4.32Å; F379-L533 HydrophobicContact CZ-CD2 4.3Å; L383-L533 HydrophobicContact CD2-CD2 3.9Å; L405-L533 HydrophobicContact CD2-CD2 3.92Å; H529-L533 PolarHBondContact O-N 3.29Å; F530-L533 PolarHBondContact O-N 2.65Å; L533-F535 VanDerWaalsContact C-N 3.28Å; L533-F535 PolarHBondContact O-N 3.03Å; L533-A536 PolarHBondContact O-N 2.92Å; L533-N537 PolarHBondContact O-N 3.03Å; L533-N537 VanDerWaalsContact O-N 3.14Å; L533-N537 PolarHBondContact O-ND2 3.02Å; L533-L541 HydrophobicContact CB-CD2 4.15Å; L533-L541 HydrophobicContact CD2-CD1 4.36Å; L533-L541 HydrophobicContact CD2-CD2 3.82Å; L533-L541 HydrophobicContact CG-CD2 3.82Å; L533-W549 HydrophobicContact CD1-CH2 3.94Å; L533-W549 HydrophobicContact CD1-CZ3 3.72Å
534	E	98.9	Very high	98.6	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.033	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-32.1	172	-69.7	-179	147.4	0	0	112.3	F530 A531 A538 T539 P540 L541 R685	F530-E534 VanDerWaalsContact O-CG 3.32Å; F530-E534 WeakPolarHBondContact O-CG 3.3Å; F530-E534 PolarHBondContact O-N 3.02Å; A531-E534 PolarHBondContact O-N 3.08Å; E534-A538 CarbonylContact O-C 3.5Å; E534-A538 WeakPolarHBondContact O-CA 3.48Å; E534-A538 PolarHBondContact O-N 3.23Å; E534-T539 WeakPolarHBondContact CA-O 3.41Å; E534-T539 WeakPolarHBondContact CB-O 3.47Å; E534-T539 WeakPolarHBondContact CG-O 3.3Å; E534-T539 PolarHBondContact O-N 2.9Å; E534-P540 VanDerWaalsContact OE1-CA 3.32Å; E534-P540 WeakPolarHBondContact OE1-CA 3.26Å; E534-L541 HydrophobicContact CG-CD1 4.49Å; E534-L541 HydrophobicContact CG-CD2 3.6Å; E534-L541 HydrophobicContact CG-CG 3.58Å; E534-L541 PolarHBondContact OE1-N 2.91Å; E534-R685 IonicContact OE1-CZ 2.82Å; E534-R685 IonicContact OE1-NE 3.8Å; E534-R685 IonicContact OE1-NH2 3.59Å; E534-R685 PolarHBondContact OE1-NH2 3.31Å; E534-R685 IonicContact OE2-CZ 3.47Å; E534-R685 IonicContact OE2-NE 3.5Å; E534-R685 PolarHBondContact OE2-NE 2.86Å; E534-R685 IonicContact OE2-NH2 2.65Å
535	F	98.6	Very high	98.6	Very high	35 Å²	35	18 Å²	18	15%	0.154	11%	0.109	C	C	.	.	H	α-helix	trans	-66.4	-51.1	172.9	157.3	-109.7	0	0	0	111.1	A531 N532 L533 N537 A538 L656 F689 W692 L703 A705 Y758	A531-F535 WeakPolarHBondContact O-CB 3.31Å; A531-F535 PolarHBondContact O-N 3.27Å; N532-F535 WeakPolarHBondContact O-CB 3.06Å; N532-F535 PolarHBondContact O-N 3.19Å; L533-F535 VanDerWaalsContact C-N 3.28Å; L533-F535 PolarHBondContact O-N 3.03Å; F535-N537 VanDerWaalsContact C-N 3.27Å; F535-N537 PolarHBondContact O-N 3.25Å; F535-A538 PolarHBondContact O-N 2.82Å; F535-L656 HydrophobicContact CD2-CD1 4.44Å; F535-L656 HydrophobicContact CD2-CD2 4.34Å; F535-L656 HydrophobicContact CE2-CD1 4.25Å; F535-L656 HydrophobicContact CE2-CD2 4.23Å; F535-F689 HydrophobicContact CB-CE1 3.94Å; F535-F689 HydrophobicContact CB-CZ 3.6Å; F535-F689 HydrophobicContact CD1-CZ 4.41Å; F535-F689 HydrophobicContact CG-CE1 4.42Å; F535-F689 HydrophobicContact CG-CZ 4.05Å; F535-W692 HydrophobicContact CE1-CZ2 4.34Å; F535-W692 HydrophobicContact CZ-CZ2 4.23Å; F535-L703 HydrophobicContact CD1-CD1 4.44Å; F535-L703 HydrophobicContact CD2-CD1 3.75Å; F535-L703 HydrophobicContact CE1-CD1 4.2Å; F535-L703 HydrophobicContact CE2-CD1 3.47Å; F535-L703 VanDerWaalsContact CE2-CD1 3.47Å; F535-L703 HydrophobicContact CE2-CD2 4.3Å; F535-L703 HydrophobicContact CE2-CG 4.46Å; F535-L703 HydrophobicContact CG-CD1 4.24Å; F535-L703 HydrophobicContact CZ-CD1 3.71Å; F535-A705 HydrophobicContact CB-CB 3.68Å; F535-Y758 PolarHBondContact O-OH 3.3Å
536	A	97.8	Very high	98.7	Very high	58 Å²	58	18.1 Å²	18.1	48%	0.479	11%	0.11	S	C	.	.	H	α-helix	trans	-55.3	-46.1	179.9	0	0	0	0	0	111.1	N532 L533 Y758	N532-A536 PolarHBondContact O-N 3.08Å; L533-A536 PolarHBondContact O-N 2.92Å; A536-Y758 PolarHBondContact O-OH 2.82Å
537	N	98.7	Very high	98.7	Very high	27 Å²	27	21.9 Å²	21.9	14%	0.144	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.8	-179.8	-70.6	-80.8	0	0	0	114.6	L533 F535 T539 L544	L533-N537 PolarHBondContact O-N 3.03Å; L533-N537 VanDerWaalsContact O-N 3.14Å; L533-N537 PolarHBondContact O-ND2 3.02Å; F535-N537 VanDerWaalsContact C-N 3.27Å; F535-N537 PolarHBondContact O-N 3.25Å; N537-T539 HydrophobicContact CB-CG2 4.19Å; N537-T539 PolarHBondContact O-N 3.37Å; N537-L544 HydrophobicContact CB-CD1 3.85Å; N537-L544 HydrophobicContact CB-CD2 4.03Å; N537-L544 HydrophobicContact CB-CG 4.44Å
538	A	98.6	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	36.6	-172.3	0	0	0	0	0	114.9	E534 F535 G654 N655 L656 S757 Y758	E534-A538 CarbonylContact O-C 3.5Å; E534-A538 WeakPolarHBondContact O-CA 3.48Å; E534-A538 PolarHBondContact O-N 3.23Å; F535-A538 PolarHBondContact O-N 2.82Å; A538-G654 CarbonylContact O-C 3.47Å; A538-G654 WeakPolarHBondContact O-CA 3.3Å; A538-N655 CarbonylContact C-O 3.07Å; A538-N655 CarbonylContact O-C 3.55Å; A538-N655 PolarHBondContact O-N 3.48Å; A538-N655 VanDerWaalsContact O-O 3.11Å; A538-L656 HydrophobicContact CB-CB 4.01Å; A538-L656 HydrophobicContact CB-CD2 4Å; A538-S757 WeakPolarHBondContact CB-OG 3.22Å; A538-Y758 HydrophobicContact CB-CD2 4Å; A538-Y758 HydrophobicContact CB-CE1 4.04Å; A538-Y758 HydrophobicContact CB-CE2 3.39Å; A538-Y758 VanDerWaalsContact CB-CZ 3.42Å
539	T	98.8	Very high	98.7	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.043	14%	0.142	C	C	.	.	S	Bend	trans	-156.8	153.8	-178.5	-160.8	0	0	0	0	110.9	E534 N537 T543 L544 Y760	E534-T539 WeakPolarHBondContact CA-O 3.41Å; E534-T539 WeakPolarHBondContact CB-O 3.47Å; E534-T539 WeakPolarHBondContact CG-O 3.3Å; E534-T539 PolarHBondContact O-N 2.9Å; N537-T539 HydrophobicContact CB-CG2 4.19Å; N537-T539 PolarHBondContact O-N 3.37Å; T539-T543 VanDerWaalsContact CG2-OG1 3.31Å; T539-T543 WeakPolarHBondContact CG2-OG1 3.49Å; T539-T543 PolarHBondContact OG1-OG1 3.27Å; T539-L544 HydrophobicContact CG2-CD1 4.36Å; T539-L544 HydrophobicContact CG2-CD2 3.64Å; T539-L544 HydrophobicContact CG2-CG 3.69Å; T539-Y760 HydrophobicContact CG2-CD1 3.82Å; T539-Y760 HydrophobicContact CG2-CD2 3.73Å; T539-Y760 HydrophobicContact CG2-CE1 4.11Å; T539-Y760 HydrophobicContact CG2-CE2 3.99Å; T539-Y760 HydrophobicContact CG2-CG 3.63Å; T539-Y760 VanDerWaalsContact OG1-CE1 3.23Å; T539-Y760 WeakPolarHBondContact OG1-CE1 3.44Å; T539-Y760 VanDerWaalsContact OG1-CZ 3.31Å
540	P	98.8	Very high	98.6	Very high	17 Å²	17	27.1 Å²	27.1	11%	0.11	15%	0.151	C	C	.	.			trans	-59.7	142.4	171.3	-22.7	33.5	0	0	0	112.3	E534 S542 T543 E707	E534-P540 VanDerWaalsContact OE1-CA 3.32Å; E534-P540 WeakPolarHBondContact OE1-CA 3.26Å; P540-S542 PolarHBondContact O-N 3.44Å; P540-S542 VanDerWaalsContact O-N 3.11Å; P540-T543 HydrophobicContact CB-CG2 4.49Å; P540-T543 PolarHBondContact O-N 3.28Å; P540-T543 PolarHBondContact O-OG1 2.93Å; P540-E707 HydrophobicContact CB-CG 4.18Å; P540-E707 WeakPolarHBondContact CB-OE1 3.49Å; P540-E707 VanDerWaalsContact CG-CD 3.41Å; P540-E707 HydrophobicContact CG-CG 3.87Å; P540-E707 VanDerWaalsContact CG-OE1 3.28Å; P540-E707 WeakPolarHBondContact CG-OE1 3.5Å
541	L	98.8	Very high	98.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25.5	-178.6	-55.2	-175.9	0	0	0	112.9	L405 G406 L409 F530 L533 E534 T543 L544	L405-L541 HydrophobicContact CD2-CD2 4.46Å; G406-L541 PolarHBondContact N-O 2.79Å; L409-L541 HydrophobicContact CD1-CD1 3.68Å; F530-L541 HydrophobicContact CB-CD1 3.91Å; F530-L541 HydrophobicContact CD1-CD1 3.77Å; F530-L541 HydrophobicContact CG-CD1 4.01Å; L533-L541 HydrophobicContact CB-CD2 4.15Å; L533-L541 HydrophobicContact CD2-CD1 4.36Å; L533-L541 HydrophobicContact CD2-CD2 3.82Å; L533-L541 HydrophobicContact CG-CD2 3.82Å; E534-L541 HydrophobicContact CG-CD1 4.49Å; E534-L541 HydrophobicContact CG-CD2 3.6Å; E534-L541 HydrophobicContact CG-CG 3.58Å; E534-L541 PolarHBondContact OE1-N 2.91Å; L541-T543 PolarHBondContact O-N 2.65Å; L541-T543 VanDerWaalsContact O-N 3.11Å; L541-L544 HydrophobicContact CD2-CD1 3.94Å; L541-L544 PolarHBondContact O-N 2.89Å
542	S	98.6	Very high	98.5	Very high	68 Å²	68	30.9 Å²	30.9	48%	0.476	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-63	-11	174.4	59.2	0	0	0	0	114.1	S404 P540	S404-S542 VanDerWaalsContact CB-C 3.48Å; S404-S542 WeakPolarHBondContact CB-O 3.3Å; S404-S542 PolarHBondContact OG-O 3.31Å; P540-S542 PolarHBondContact O-N 3.44Å; P540-S542 VanDerWaalsContact O-N 3.11Å
543	T	98.7	Very high	98.4	Very high	37 Å²	37	32.4 Å²	32.4	23%	0.227	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-108.3	-19.1	-178.8	67.9	0	0	0	0	113.7	T539 P540 L541 Y760 A762 A763	T539-T543 VanDerWaalsContact CG2-OG1 3.31Å; T539-T543 WeakPolarHBondContact CG2-OG1 3.49Å; T539-T543 PolarHBondContact OG1-OG1 3.27Å; P540-T543 HydrophobicContact CB-CG2 4.49Å; P540-T543 PolarHBondContact O-N 3.28Å; P540-T543 PolarHBondContact O-OG1 2.93Å; L541-T543 PolarHBondContact O-N 2.65Å; L541-T543 VanDerWaalsContact O-N 3.11Å; T543-Y760 WeakPolarHBondContact OG1-CE2 3.21Å; T543-A762 CarbonylContact O-C 3.54Å; T543-A762 VanDerWaalsContact O-CA 3.25Å; T543-A762 WeakPolarHBondContact O-CA 3.49Å; T543-A763 PolarHBondContact O-N 2.84Å
544	L	98.7	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-72.1	137.8	-179.2	-74.8	173.9	0	0	0	111	S404 L405 N537 T539 L541 L546 W549 Y760	S404-L544 CarbonylContact C-O 3.5Å; S404-L544 WeakPolarHBondContact CA-O 3.47Å; S404-L544 VanDerWaalsContact CB-O 3.31Å; S404-L544 WeakPolarHBondContact CB-O 3.4Å; L405-L544 HydrophobicContact CB-CB 4.05Å; L405-L544 HydrophobicContact CD2-CD1 4.16Å; L405-L544 PolarHBondContact N-O 2.8Å; N537-L544 HydrophobicContact CB-CD1 3.85Å; N537-L544 HydrophobicContact CB-CD2 4.03Å; N537-L544 HydrophobicContact CB-CG 4.44Å; T539-L544 HydrophobicContact CG2-CD1 4.36Å; T539-L544 HydrophobicContact CG2-CD2 3.64Å; T539-L544 HydrophobicContact CG2-CG 3.69Å; L541-L544 HydrophobicContact CD2-CD1 3.94Å; L541-L544 PolarHBondContact O-N 2.89Å; L544-L546 PolarHBondContact O-N 2.88Å; L544-W549 HydrophobicContact CB-CB 4.03Å; L544-W549 HydrophobicContact CD1-CB 4.48Å; L544-W549 HydrophobicContact CD2-CB 4.13Å; L544-W549 HydrophobicContact CG-CB 4.45Å; L544-Y760 HydrophobicContact CD2-CD2 3.84Å; L544-Y760 HydrophobicContact CD2-CG 4.27Å
545	S	98.9	Very high	98.1	Very high	7 Å²	7	42 Å²	42	5%	0.049	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-66.3	120.6	174.2	-174.8	0	0	0	0	110.5	K547 H548 W549 V761 A762	S545-K547 PolarHBondContact O-N 3.5Å; S545-H548 PolarHBondContact O-N 3.41Å; S545-W549 VanDerWaalsContact O-CB 3.26Å; S545-W549 WeakPolarHBondContact O-CB 3.33Å; S545-W549 PolarHBondContact O-N 3Å; S545-V761 WeakPolarHBondContact CB-O 3.36Å; S545-V761 PolarHBondContact N-O 2.98Å; S545-A762 WeakPolarHBondContact CB-O 3.36Å
546	L	98.8	Very high	97.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.8	177.2	172.6	61.9	0	0	0	112.2	F395 V403 L405 A408 L544	F395-L546 HydrophobicContact CD1-CD2 4.48Å; F395-L546 VanDerWaalsContact O-CD2 3.23Å; F395-L546 WeakPolarHBondContact O-CD2 3.32Å; V403-L546 HydrophobicContact CB-CD2 4.25Å; V403-L546 HydrophobicContact CG1-CB 4.35Å; V403-L546 HydrophobicContact CG1-CD2 3.84Å; V403-L546 WeakPolarHBondContact O-CB 3.34Å; V403-L546 PolarHBondContact O-N 3.04Å; L405-L546 HydrophobicContact CD1-CD1 4.12Å; A408-L546 HydrophobicContact CB-CD1 3.55Å; A408-L546 HydrophobicContact CB-CD2 3.91Å; A408-L546 HydrophobicContact CB-CG 4.28Å; L544-L546 PolarHBondContact O-N 2.88Å
547	K	98.5	Very high	97.8	Very high	80 Å²	80	44.8 Å²	44.8	35%	0.348	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.3	-172.6	-163.7	172	-172.6	150.7	0	114.6	D394 S545	D394-K547 IonicContact OD1-NZ 3.22Å; S545-K547 PolarHBondContact O-N 3.5Å
548	H	98.6	Very high	97.6	Very high	60 Å²	60	45.8 Å²	45.8	28%	0.278	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.2	10.6	-161.4	-57.9	-46.3	0	0	0	113.6	S545 D550 Q551 V761	S545-H548 PolarHBondContact O-N 3.41Å; H548-D550 VanDerWaalsContact C-N 3.3Å; H548-Q551 WeakPolarHBondContact O-CG 3.11Å; H548-V761 HydrophobicContact CB-CG1 3.76Å; H548-V761 VanDerWaalsContact O-CB 3.3Å; H548-V761 WeakPolarHBondContact O-CB 3.39Å; H548-V761 WeakPolarHBondContact O-CG1 3.42Å; H548-V761 VanDerWaalsContact O-CG2 3.3Å; H548-V761 WeakPolarHBondContact O-CG2 3.35Å
549	W	98.6	Very high	97.4	Very high	35 Å²	35	47.4 Å²	47.4	13%	0.133	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-30.5	-177.9	71.9	-80	0	0	0	112.5	L405 L533 L544 S545	L405-W549 HydrophobicContact CD2-CD2 3.89Å; L405-W549 HydrophobicContact CD2-CE3 4.48Å; L405-W549 HydrophobicContact CD2-CG 4.13Å; L405-W549 HydrophobicContact CD2-CZ2 4.28Å; L533-W549 HydrophobicContact CD1-CH2 3.94Å; L533-W549 HydrophobicContact CD1-CZ3 3.72Å; L544-W549 HydrophobicContact CB-CB 4.03Å; L544-W549 HydrophobicContact CD1-CB 4.48Å; L544-W549 HydrophobicContact CD2-CB 4.13Å; L544-W549 HydrophobicContact CG-CB 4.45Å; S545-W549 VanDerWaalsContact O-CB 3.26Å; S545-W549 WeakPolarHBondContact O-CB 3.33Å; S545-W549 PolarHBondContact O-N 3Å
550	D	97.9	Very high	97.2	Very high	44 Å²	44	48.9 Å²	48.9	24%	0.235	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	17.2	-175.7	54.8	-13.2	0	0	0	112.8	H548 D552 D553	H548-D550 VanDerWaalsContact C-N 3.3Å; D550-D552 PolarHBondContact O-N 3.32Å; D550-D552 VanDerWaalsContact O-N 3.07Å; D550-D553 WeakPolarHBondContact O-CB 3.41Å; D550-D553 PolarHBondContact O-N 3.16Å; D550-D553 VanDerWaalsContact O-N 3.14Å
551	Q	98.1	Very high	97.2	Very high	39 Å²	39	50.8 Å²	50.8	18%	0.182	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.5	-174.3	63.8	142.4	26.2	0	0	115	H548 V761 G767 R802	H548-Q551 WeakPolarHBondContact O-CG 3.11Å; Q551-V761 HydrophobicContact CG-CG2 4.28Å; Q551-G767 VanDerWaalsContact OE1-N 3.15Å; Q551-R802 PolarHBondContact NE2-O 3.19Å
552	D	97	Very high	97.1	Very high	45 Å²	45	51.6 Å²	51.6	24%	0.241	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-3.3	179	51.8	-57.2	0	0	0	113.6	D550 D554 F555 P805	D550-D552 PolarHBondContact O-N 3.32Å; D550-D552 VanDerWaalsContact O-N 3.07Å; D552-D554 VanDerWaalsContact C-N 3.28Å; D552-D554 PolarHBondContact O-N 3.28Å; D552-F555 PolarHBondContact O-N 3.15Å; D552-P805 HydrophobicContact CB-CG 4.4Å; D552-P805 WeakPolarHBondContact OD2-CD 3.32Å; D552-P805 WeakPolarHBondContact OD2-CG 3.2Å
553	D	95.6	Very high	97.1	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.8	-35.6	178.7	-74.3	14.4	0	0	0	112.1	D550 F555 E556	D550-D553 WeakPolarHBondContact O-CB 3.41Å; D550-D553 PolarHBondContact O-N 3.16Å; D550-D553 VanDerWaalsContact O-N 3.14Å; D553-F555 PolarHBondContact O-N 3.41Å; D553-E556 WeakPolarHBondContact O-CB 3.23Å; D553-E556 PolarHBondContact O-N 3.24Å
554	D	94.6	Very high	97.1	Very high	152 Å²	152	46.7 Å²	46.7	81%	0.813	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-57.9	-15.1	175	-76.9	-20.6	0	0	0	113.7	D552	D552-D554 VanDerWaalsContact C-N 3.28Å; D552-D554 PolarHBondContact O-N 3.28Å
555	F	96.6	Very high	97.1	Very high	75 Å²	75	51.1 Å²	51.1	33%	0.329	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-112.6	10.3	-177.6	-56.7	-80.6	0	0	0	113.3	D552 D553 N803 Y804	D552-F555 PolarHBondContact O-N 3.15Å; D553-F555 PolarHBondContact O-N 3.41Å; F555-N803 HydrophobicContact CB-CB 4.44Å; F555-N803 HydrophobicContact CD1-CB 4.22Å; F555-N803 HydrophobicContact CD2-CB 3.8Å; F555-N803 HydrophobicContact CE1-CB 4.49Å; F555-N803 WeakPolarHBondContact CE1-ND2 3.47Å; F555-N803 HydrophobicContact CE2-CB 4.09Å; F555-N803 HydrophobicContact CG-CB 3.88Å; F555-N803 HydrophobicContact CZ-CB 4.42Å; F555-N803 WeakPolarHBondContact CZ-ND2 3.3Å; F555-Y804 HydrophobicContact CB-CE1 3.85Å; F555-Y804 WeakPolarHBondContact O-CE1 3.42Å
556	E	94.1	Very high	97	Very high	137 Å²	137	52.4 Å²	52.4	64%	0.64	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-54	141.2	176.3	-168.6	174.9	-159.8	0	0	111.3	D553 H561	D553-E556 WeakPolarHBondContact O-CB 3.23Å; D553-E556 PolarHBondContact O-N 3.24Å; E556-H561 IonicContact OE1-NE2 3.64Å
557	F	97	Very high	97	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.066	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-83.9	145	178.7	-66.3	-44.3	0	0	0	111.3	R173 T326 G329 G330 N331 Y804 H809	R173-F557 HydrophobicContact CG-CE1 3.99Å; T326-F557 WeakPolarHBondContact O-CB 3.37Å; T326-F557 WeakPolarHBondContact O-CD2 3.47Å; G329-F557 WeakPolarHBondContact O-CA 3.37Å; G329-F557 VanDerWaalsContact O-CB 3.25Å; G329-F557 WeakPolarHBondContact O-CB 2.97Å; G329-F557 VanDerWaalsContact O-CD1 3.29Å; G329-F557 WeakPolarHBondContact O-CD1 3.23Å; G330-F557 VanDerWaalsContact C-CD1 3.43Å; G330-F557 WeakPolarHBondContact O-CE1 3.45Å; N331-F557 HydrophobicContact CB-CB 4.43Å; N331-F557 HydrophobicContact CB-CD1 4.37Å; N331-F557 HydrophobicContact CB-CD2 3.51Å; N331-F557 HydrophobicContact CB-CE2 3.72Å; N331-F557 HydrophobicContact CB-CG 3.86Å; N331-F557 HydrophobicContact CB-CZ 4.27Å; N331-F557 VanDerWaalsContact CG-CE2 3.48Å; N331-F557 WeakPolarHBondContact ND2-CD2 3.26Å; F557-Y804 HydrophobicContact CD1-CE1 4.43Å; F557-Y804 HydrophobicContact CE1-CD1 4.43Å; F557-Y804 AromaticContact CE1-CE1 3.53Å; F557-Y804 HydrophobicContact CE1-CE1 3.53Å; F557-Y804 AromaticContact CE1-CZ 3.88Å; F557-Y804 HydrophobicContact CE2-CD1 4.21Å; F557-Y804 HydrophobicContact CE2-CE1 4.06Å; F557-Y804 AromaticContact CZ-CD1 3.79Å; F557-Y804 HydrophobicContact CZ-CD1 3.79Å; F557-Y804 AromaticContact CZ-CE1 3.31Å; F557-Y804 HydrophobicContact CZ-CE1 3.31Å; F557-Y804 AromaticContact CZ-CZ 3.88Å; F557-H809 HydrophobicContact CE2-CB 4.44Å; F557-H809 AromaticContact CE2-CD2 3.48Å; F557-H809 VanDerWaalsContact CE2-CD2 3.48Å; F557-H809 WeakPolarHBondContact CE2-CD2 3.42Å; F557-H809 AromaticContact CE2-CE1 3.85Å; F557-H809 AromaticContact CE2-CG 3.76Å; F557-H809 AromaticContact CE2-ND1 3.98Å; F557-H809 AromaticContact CE2-NE2 3.57Å
558	T	95.3	Very high	97	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.288	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-78	157.1	178.8	61.5	0	0	0	0	112.3	E161 F170 G327 L328 G329	E161-T558 PolarHBondContact OE1-OG1 3.47Å; F170-T558 HydrophobicContact CZ-CG2 3.95Å; G327-T558 CarbonylContact C-O 3.54Å; G327-T558 VanDerWaalsContact CA-O 3.24Å; G327-T558 WeakPolarHBondContact CA-O 3.36Å; L328-T558 PolarHBondContact N-O 2.83Å; G329-T558 WeakPolarHBondContact CA-OG1 3.21Å; G329-T558 PolarHBondContact N-O 3.1Å; G329-T558 PolarHBondContact O-N 3.01Å
559	G	93.6	Very high	97.1	Very high	35 Å²	35	46.7 Å²	46.7	36%	0.361	24%	0.243	S	C	.	.	S	Bend	trans	90.8	163.3	177.3	0	0	0	0	0	113.9	G327	G327-G559 WeakPolarHBondContact CA-O 3.43Å
560	S	95.4	Very high	97.1	Very high	38 Å²	38	46.2 Å²	46.2	27%	0.266	25%	0.245	S	C	.	.			trans	-59.3	147.6	-174.8	-35	0	0	0	0	113.2	K346 L562	K346-S560 PolarHBondContact NZ-OG 2.87Å; S560-L562 WeakPolarHBondContact O-CD1 3.44Å
561	H	97.2	Very high	97.1	Very high	57 Å²	57	44.1 Å²	44.1	26%	0.264	23%	0.233	S	C	.	.			trans	-66.5	139.2	168.7	-68.4	-179.9	0	0	0	111.7	V324 I347 E556	V324-H561 HydrophobicContact CG1-CB 4.06Å; I347-H561 HydrophobicContact CD1-CB 4.17Å; I347-H561 PolarHBondContact N-O 3.39Å; E556-H561 IonicContact OE1-NE2 3.64Å
562	L	98.4	Very high	97.1	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.3	-178.1	-50.1	104	0	0	0	111.9	V324 V325 L328 L344 A345 K346 S560	V324-L562 CarbonylContact C-O 3.52Å; V324-L562 VanDerWaalsContact CA-O 3.26Å; V324-L562 WeakPolarHBondContact CA-O 3.46Å; V325-L562 PolarHBondContact N-O 3.36Å; V325-L562 PolarHBondContact O-N 2.98Å; L328-L562 HydrophobicContact CD1-CD1 4.09Å; L328-L562 HydrophobicContact CD2-CD1 4.08Å; L328-L562 HydrophobicContact CG-CD1 3.72Å; L344-L562 HydrophobicContact CB-CB 4.32Å; L344-L562 HydrophobicContact CB-CD2 3.89Å; L344-L562 HydrophobicContact CD2-CB 4.47Å; A345-L562 CarbonylContact O-C 3.49Å; A345-L562 WeakPolarHBondContact O-CA 3.2Å; K346-L562 HydrophobicContact CG-CD2 4.41Å; S560-L562 WeakPolarHBondContact O-CD1 3.44Å
563	T	98.4	Very high	97.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.8	168.9	-173.3	0	0	0	0	112	M323 L344 A345 R565 L694	M323-T563 WeakPolarHBondContact O-CA 3.47Å; M323-T563 PolarHBondContact O-OG1 3.31Å; L344-T563 WeakPolarHBondContact CA-O 3.37Å; A345-T563 HydrophobicContact CB-CG2 4.12Å; A345-T563 PolarHBondContact N-O 2.94Å; A345-T563 PolarHBondContact O-N 3.09Å; T563-R565 HydrophobicContact CG2-CG 4.13Å; T563-L694 HydrophobicContact CG2-CB 4.11Å; T563-L694 HydrophobicContact CG2-CD1 4.18Å; T563-L694 HydrophobicContact CG2-CD2 4.16Å; T563-L694 HydrophobicContact CG2-CG 4.38Å
564	V	98.4	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	92.3	174.9	-170.5	0	0	0	0	110.1	M323 V325 M342 L344 N566 G567 Y568	M323-V564 PolarHBondContact O-N 3.36Å; V325-V564 HydrophobicContact CG2-CG2 4.13Å; M342-V564 HydrophobicContact CE-CG1 4.31Å; M342-V564 HydrophobicContact CE-CG2 3.65Å; L344-V564 HydrophobicContact CD2-CG2 3.94Å; V564-N566 VanDerWaalsContact C-N 3.29Å; V564-N566 WeakPolarHBondContact CG1-OD1 3.33Å; V564-N566 PolarHBondContact O-N 2.87Å; V564-G567 PolarHBondContact O-N 3.41Å; V564-Y568 HydrophobicContact CB-CD1 4.11Å; V564-Y568 HydrophobicContact CB-CG 4.3Å; V564-Y568 HydrophobicContact CG2-CD1 3.39Å; V564-Y568 HydrophobicContact CG2-CD2 4.44Å; V564-Y568 HydrophobicContact CG2-CE1 3.63Å; V564-Y568 HydrophobicContact CG2-CG 3.84Å
565	R	97.6	Very high	97.6	Very high	93 Å²	93	34 Å²	34	35%	0.351	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.7	-170.8	-77.1	-169.7	153.6	172.6	-2.5	115	E343 A345 T563 G567 L694	E343-R565 HydrophobicContact CB-CB 4.02Å; E343-R565 PolarHBondContact O-N 3.07Å; A345-R565 HydrophobicContact CB-CG 3.95Å; T563-R565 HydrophobicContact CG2-CG 4.13Å; R565-G567 VanDerWaalsContact C-N 3.26Å; R565-L694 PolarHBondContact NE-O 2.94Å
566	N	98.3	Very high	97.7	Very high	33 Å²	33	31.3 Å²	31.3	18%	0.176	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	9.2	176.7	65.6	-29.8	0	0	0	113.4	R312 N341 E343 V564	R312-N566 VanDerWaalsContact CZ-O 3.31Å; R312-N566 PolarHBondContact NH1-O 2.96Å; R312-N566 PolarHBondContact NH2-O 2.67Å; N341-N566 PolarHBondContact O-ND2 3.32Å; E343-N566 HydrophobicContact CB-CB 4.21Å; E343-N566 HydrophobicContact CG-CB 4.06Å; E343-N566 PolarHBondContact N-OD1 3.22Å; V564-N566 VanDerWaalsContact C-N 3.29Å; V564-N566 WeakPolarHBondContact CG1-OD1 3.33Å; V564-N566 PolarHBondContact O-N 2.87Å
567	G	98.4	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.			trans	87	125.4	176.1	0	0	0	0	0	112.8	R312 D319 V564 R565 S569 C570	R312-G567 PolarHBondContact NH2-O 2.87Å; D319-G567 WeakPolarHBondContact OD2-CA 3.26Å; V564-G567 PolarHBondContact O-N 3.41Å; R565-G567 VanDerWaalsContact C-N 3.26Å; G567-S569 PolarHBondContact O-N 3.05Å; G567-C570 PolarHBondContact O-N 3.42Å; G567-C570 PolarHBondContact O-SG 3.03Å; G567-C570 VanDerWaalsContact O-SG 3.34Å
568	Y	98.8	Very high	97.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.008	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20	-171.1	-143.9	128.4	0	0	0	113.1	V308 T310 D319 A322 V325 M333 M342 V564 C570 V571 P572 V808	V308-Y568 HydrophobicContact CG1-CD2 3.83Å; V308-Y568 HydrophobicContact CG1-CG 4.06Å; T310-Y568 PolarHBondContact OG1-N 3.46Å; D319-Y568 PolarHBondContact OD1-N 2.8Å; D319-Y568 PolarHBondContact OD2-N 3.48Å; D319-Y568 VanDerWaalsContact OD2-N 3.08Å; A322-Y568 HydrophobicContact CB-CD1 4.44Å; A322-Y568 WeakPolarHBondContact O-CB 3.21Å; V325-Y568 HydrophobicContact CG2-CE1 3.88Å; M333-Y568 HydrophobicContact CE-CE2 4Å; M342-Y568 HydrophobicContact CE-CE2 4.24Å; V564-Y568 HydrophobicContact CB-CD1 4.11Å; V564-Y568 HydrophobicContact CB-CG 4.3Å; V564-Y568 HydrophobicContact CG2-CD1 3.39Å; V564-Y568 HydrophobicContact CG2-CD2 4.44Å; V564-Y568 HydrophobicContact CG2-CE1 3.63Å; V564-Y568 HydrophobicContact CG2-CG 3.84Å; Y568-C570 PolarHBondContact O-N 2.89Å; Y568-V571 HydrophobicContact CD2-CB 4.28Å; Y568-V571 HydrophobicContact CD2-CG2 4.08Å; Y568-V571 HydrophobicContact CE2-CB 4.32Å; Y568-V571 HydrophobicContact CE2-CG2 3.98Å; Y568-V571 PolarHBondContact O-N 3.5Å; Y568-V571 VanDerWaalsContact O-N 3.1Å; Y568-P572 WeakPolarHBondContact O-CD 3.45Å; Y568-V808 HydrophobicContact CE2-CG1 3.94Å; Y568-V808 HydrophobicContact CE2-CG2 4.46Å
569	S	98.8	Very high	98.1	Very high	23 Å²	23	32.1 Å²	32.1	16%	0.161	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20	174.5	74.9	0	0	0	0	114.5	T310 R312 G567 V571 P572 V573	T310-S569 WeakPolarHBondContact OG1-CB 3.31Å; T310-S569 PolarHBondContact OG1-N 3.37Å; T310-S569 PolarHBondContact OG1-OG 2.86Å; R312-S569 PolarHBondContact NE-OG 3.49Å; R312-S569 PolarHBondContact NH2-OG 2.67Å; G567-S569 PolarHBondContact O-N 3.05Å; S569-V571 PolarHBondContact O-N 3.49Å; S569-P572 VanDerWaalsContact O-CD 3.31Å; S569-P572 WeakPolarHBondContact O-CD 3.47Å; S569-P572 WeakPolarHBondContact O-CG 3.39Å; S569-V573 WeakPolarHBondContact O-CB 3.15Å; S569-V573 WeakPolarHBondContact O-CG2 3.5Å; S569-V573 PolarHBondContact O-N 2.82Å; S569-V573 VanDerWaalsContact O-N 3.15Å
570	C	98.8	Very high	98.3	Very high	24 Å²	24	33.2 Å²	33.2	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-32.9	176.2	65.1	0	0	0	0	112.5	V340 G567 Y568 A574	V340-C570 HydrophobicContact CG1-CB 4.39Å; G567-C570 PolarHBondContact O-N 3.42Å; G567-C570 PolarHBondContact O-SG 3.03Å; G567-C570 VanDerWaalsContact O-SG 3.34Å; Y568-C570 PolarHBondContact O-N 2.89Å; C570-A574 VanDerWaalsContact O-CB 3.24Å; C570-A574 WeakPolarHBondContact O-CB 3.37Å; C570-A574 PolarHBondContact O-N 3.4Å; C570-A574 VanDerWaalsContact O-N 3.07Å
571	V	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-61.9	179.3	173.7	0	0	0	0	112.5	M333 V336 M342 Y568 S569 V573 A574 L575	M333-V571 HydrophobicContact CE-CG1 4.17Å; M333-V571 HydrophobicContact CE-CG2 4.07Å; V336-V571 HydrophobicContact CG1-CG1 3.92Å; V336-V571 HydrophobicContact CG1-CG2 4.27Å; M342-V571 HydrophobicContact CE-CG2 3.66Å; M342-V571 HydrophobicContact CG-CG2 4.04Å; M342-V571 HydrophobicContact SD-CG2 3.5Å; M342-V571 VanDerWaalsContact SD-CG2 3.5Å; Y568-V571 HydrophobicContact CD2-CB 4.28Å; Y568-V571 HydrophobicContact CD2-CG2 4.08Å; Y568-V571 HydrophobicContact CE2-CB 4.32Å; Y568-V571 HydrophobicContact CE2-CG2 3.98Å; Y568-V571 PolarHBondContact O-N 3.5Å; Y568-V571 VanDerWaalsContact O-N 3.1Å; S569-V571 PolarHBondContact O-N 3.49Å; V571-V573 VanDerWaalsContact C-N 3.26Å; V571-V573 PolarHBondContact O-N 3.23Å; V571-A574 PolarHBondContact O-N 3.37Å; V571-A574 VanDerWaalsContact O-N 3.15Å; V571-L575 HydrophobicContact CG1-CD1 4.02Å; V571-L575 WeakPolarHBondContact O-CG 3.4Å; V571-L575 PolarHBondContact O-N 2.92Å
572	P	98.9	Very high	98.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-30.5	-179.3	25.1	-35.2	0	0	0	112.8	V279 L282 V304 G305 V308 Y568 S569 L575 A576	V279-P572 HydrophobicContact CG2-CB 4.37Å; L282-P572 HydrophobicContact CD1-CB 3.65Å; L282-P572 WeakPolarHBondContact CD1-O 3.44Å; V304-P572 HydrophobicContact CG2-CB 4.45Å; G305-P572 VanDerWaalsContact CA-CB 3.47Å; V308-P572 HydrophobicContact CB-CG 4.2Å; V308-P572 HydrophobicContact CG1-CG 3.98Å; Y568-P572 WeakPolarHBondContact O-CD 3.45Å; S569-P572 VanDerWaalsContact O-CD 3.31Å; S569-P572 WeakPolarHBondContact O-CD 3.47Å; S569-P572 WeakPolarHBondContact O-CG 3.39Å; P572-L575 PolarHBondContact O-N 3.5Å; P572-A576 WeakPolarHBondContact O-CB 3.41Å; P572-A576 PolarHBondContact O-N 2.91Å
573	V	98.9	Very high	98.6	Very high	88 Å²	88	36.3 Å²	36.3	53%	0.533	21%	0.205	S	C	.	.	H	α-helix	trans	-63.9	-44.1	173.5	171	0	0	0	0	110.8	V304 S569 V571 A576	V304-V573 HydrophobicContact CG2-CG2 4.08Å; S569-V573 WeakPolarHBondContact O-CB 3.15Å; S569-V573 WeakPolarHBondContact O-CG2 3.5Å; S569-V573 PolarHBondContact O-N 2.82Å; S569-V573 VanDerWaalsContact O-N 3.15Å; V571-V573 VanDerWaalsContact C-N 3.26Å; V571-V573 PolarHBondContact O-N 3.23Å; V573-A576 WeakPolarHBondContact O-CB 3.25Å; V573-A576 PolarHBondContact O-N 3.21Å
574	A	98.8	Very high	98.6	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-37.9	177.2	0	0	0	0	0	112.3	I257 V340 C570 V571 A576 E577	I257-A574 HydrophobicContact CD1-CB 3.47Å; I257-A574 VanDerWaalsContact CD1-CB 3.47Å; V340-A574 HydrophobicContact CG1-CB 4.18Å; V340-A574 HydrophobicContact CG2-CB 3.81Å; C570-A574 VanDerWaalsContact O-CB 3.24Å; C570-A574 WeakPolarHBondContact O-CB 3.37Å; C570-A574 PolarHBondContact O-N 3.4Å; C570-A574 VanDerWaalsContact O-N 3.07Å; V571-A574 PolarHBondContact O-N 3.37Å; V571-A574 VanDerWaalsContact O-N 3.15Å; A574-A576 VanDerWaalsContact C-N 3.26Å; A574-A576 PolarHBondContact O-N 2.89Å; A574-E577 WeakPolarHBondContact O-CB 3.42Å; A574-E577 PolarHBondContact O-N 2.83Å
575	L	98.8	Very high	98.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-31	175.3	-71.1	171.3	0	0	0	112.7	I257 V279 L282 R286 V571 P572 E577 L579 L812	I257-L575 HydrophobicContact CD1-CD2 4.13Å; I257-L575 HydrophobicContact CD1-CG 4.39Å; I257-L575 HydrophobicContact CG1-CD2 4.05Å; V279-L575 HydrophobicContact CG1-CD1 4.44Å; L282-L575 HydrophobicContact CB-CB 4.02Å; L282-L575 HydrophobicContact CB-CD1 4.48Å; L282-L575 HydrophobicContact CD1-CB 4.37Å; R286-L575 WeakPolarHBondContact CD-O 3.35Å; R286-L575 WeakPolarHBondContact CG-O 3.45Å; R286-L575 PolarHBondContact NE-O 3.24Å; R286-L575 VanDerWaalsContact NE-O 3.14Å; V571-L575 HydrophobicContact CG1-CD1 4.02Å; V571-L575 WeakPolarHBondContact O-CG 3.4Å; V571-L575 PolarHBondContact O-N 2.92Å; P572-L575 PolarHBondContact O-N 3.5Å; L575-E577 PolarHBondContact O-N 3.43Å; L575-L579 WeakPolarHBondContact O-CD1 3.48Å; L575-L812 HydrophobicContact CD1-CD1 4.43Å
576	A	98.8	Very high	98.7	Very high	18 Å²	18	33.7 Å²	33.7	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-70	-17.5	179.3	0	0	0	0	0	114	L282 V304 P572 V573 A574 G578 L579 I581	L282-A576 HydrophobicContact CD2-CB 4.09Å; V304-A576 HydrophobicContact CG1-CB 4.14Å; V304-A576 HydrophobicContact CG2-CB 4.27Å; P572-A576 WeakPolarHBondContact O-CB 3.41Å; P572-A576 PolarHBondContact O-N 2.91Å; V573-A576 WeakPolarHBondContact O-CB 3.25Å; V573-A576 PolarHBondContact O-N 3.21Å; A574-A576 VanDerWaalsContact C-N 3.26Å; A574-A576 PolarHBondContact O-N 2.89Å; A576-G578 PolarHBondContact O-N 3.37Å; A576-L579 WeakPolarHBondContact O-CB 3.36Å; A576-L579 PolarHBondContact O-N 3.44Å; A576-L579 VanDerWaalsContact O-N 3.16Å; A576-I581 HydrophobicContact CB-CD1 3.62Å
577	E	98.4	Very high	98.7	Very high	130 Å²	130	32.7 Å²	32.7	61%	0.607	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	123.9	-179.4	-171.8	-174.6	-157.5	0	0	111.5	R286 A574 L575	R286-E577 PolarHBondContact NH2-O 2.93Å; A574-E577 WeakPolarHBondContact O-CB 3.42Å; A574-E577 PolarHBondContact O-N 2.83Å; L575-E577 PolarHBondContact O-N 3.43Å
578	G	97.8	Very high	98.7	Very high	61 Å²	61	37.6 Å²	37.6	63%	0.629	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	2.8	178.6	0	0	0	0	0	115.4	Q289 A576	Q289-G578 PolarHBondContact NE2-O 3.45Å; A576-G578 PolarHBondContact O-N 3.37Å
579	L	98.6	Very high	98.7	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.131	22%	0.217	C	C	.	.			trans	-94.5	149.1	178.4	-61.5	-177.9	0	0	0	112.6	L282 A285 R286 Q289 L575 A576 I581	L282-L579 HydrophobicContact CD2-CD1 3.93Å; A285-L579 HydrophobicContact CB-CD1 3.56Å; A285-L579 HydrophobicContact CB-CD2 4.01Å; A285-L579 HydrophobicContact CB-CG 4.4Å; R286-L579 HydrophobicContact CG-CD1 4.05Å; R286-L579 HydrophobicContact CG-CD2 4.13Å; R286-L579 HydrophobicContact CG-CG 4.32Å; Q289-L579 HydrophobicContact CB-CD2 4.46Å; L575-L579 WeakPolarHBondContact O-CD1 3.48Å; A576-L579 WeakPolarHBondContact O-CB 3.36Å; A576-L579 PolarHBondContact O-N 3.44Å; A576-L579 VanDerWaalsContact O-N 3.16Å; L579-I581 HydrophobicContact CB-CD1 4.17Å; L579-I581 HydrophobicContact CB-CG1 3.94Å; L579-I581 PolarHBondContact O-N 2.93Å
580	D	98.8	Very high	98.7	Very high	59 Å²	59	37.7 Å²	37.7	32%	0.316	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	100.6	170.8	179.5	37.3	0	0	0	110.2	T296 V297 K582	T296-D580 WeakPolarHBondContact CA-O 3.32Å; T296-D580 WeakPolarHBondContact CB-OD2 3.37Å; T296-D580 VanDerWaalsContact CG2-OD2 3.26Å; T296-D580 WeakPolarHBondContact CG2-OD2 3.37Å; T296-D580 PolarHBondContact OG1-OD2 3.36Å; V297-D580 PolarHBondContact N-O 3.26Å; D580-K582 WeakPolarHBondContact OD1-CE 3.4Å; D580-K582 IonicContact OD1-NZ 2.63Å; D580-K582 PolarHBondContact OD1-NZ 3.14Å; D580-K582 IonicContact OD2-NZ 3.71Å
581	I	98.9	Very high	98.8	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.185	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.2	-176.2	-52.5	179.9	0	0	0	110.1	L282 V297 V304 A576 L579 L583	L282-I581 HydrophobicContact CD2-CD1 3.75Å; V297-I581 HydrophobicContact CB-CB 4.49Å; V297-I581 HydrophobicContact CB-CG1 4.16Å; V297-I581 HydrophobicContact CB-CG2 4.32Å; V297-I581 HydrophobicContact CG1-CG2 4.48Å; V297-I581 HydrophobicContact CG2-CG1 4.39Å; V304-I581 HydrophobicContact CG1-CD1 3.79Å; V304-I581 HydrophobicContact CG1-CG2 4.35Å; A576-I581 HydrophobicContact CB-CD1 3.62Å; L579-I581 HydrophobicContact CB-CD1 4.17Å; L579-I581 HydrophobicContact CB-CG1 3.94Å; L579-I581 PolarHBondContact O-N 2.93Å; I581-L583 HydrophobicContact CG2-CD2 3.9Å; I581-L583 HydrophobicContact CG2-CG 4.24Å
582	K	98.8	Very high	98.7	Very high	78 Å²	78	41.4 Å²	41.4	34%	0.339	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	92.4	173.1	-49.9	-56	173.6	-162.1	0	109	T296 V297 L298 E299 D580 T585 Y613	T296-K582 HydrophobicContact CG2-CG 3.82Å; V297-K582 PolarHBondContact O-N 3.48Å; L298-K582 HydrophobicContact CD2-CB 3.86Å; L298-K582 HydrophobicContact CD2-CG 3.9Å; E299-K582 PolarHBondContact N-O 2.69Å; D580-K582 WeakPolarHBondContact OD1-CE 3.4Å; D580-K582 IonicContact OD1-NZ 2.63Å; D580-K582 PolarHBondContact OD1-NZ 3.14Å; D580-K582 IonicContact OD2-NZ 3.71Å; K582-T585 WeakPolarHBondContact O-CB 3.2Å; K582-T585 PolarHBondContact O-OG1 3.45Å; K582-Y613 HydrophobicContact CG-CE1 4.48Å
583	L	98.8	Very high	98.7	Very high	65 Å²	65	44.5 Å²	44.5	34%	0.34	24%	0.239	S	C	.	.			trans	-69.3	165.9	171.5	-61.3	176.3	0	0	0	110.8	E299 V304 I581 T585	E299-L583 HydrophobicContact CB-CD2 3.95Å; E299-L583 HydrophobicContact CG-CD2 3.8Å; E299-L583 CarbonylContact O-C 3.56Å; E299-L583 VanDerWaalsContact O-C 3.28Å; E299-L583 WeakPolarHBondContact O-CA 3.38Å; V304-L583 HydrophobicContact CG1-CD2 4.26Å; I581-L583 HydrophobicContact CG2-CD2 3.9Å; I581-L583 HydrophobicContact CG2-CG 4.24Å; L583-T585 PolarHBondContact O-N 2.94Å; L583-T585 VanDerWaalsContact O-N 3.15Å; L583-T585 PolarHBondContact O-OG1 3.35Å
584	N	98.7	Very high	98.6	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.16	22%	0.222	C	C	.	.	S	Bend	trans	53.6	31	-179	-61.9	-67.6	0	0	0	113.4	E299 A300 R301 N603 T604	E299-N584 PolarHBondContact O-N 3.19Å; A300-N584 WeakPolarHBondContact O-CA 3.47Å; R301-N584 PolarHBondContact O-N 2.87Å; N584-N603 CarbonylContact O-C 3.57Å; N584-N603 VanDerWaalsContact O-CA 3.28Å; N584-N603 WeakPolarHBondContact O-CA 3.34Å; N584-T604 VanDerWaalsContact CA-OG1 3.26Å; N584-T604 WeakPolarHBondContact CA-OG1 3.44Å; N584-T604 VanDerWaalsContact CB-OG1 3.31Å; N584-T604 WeakPolarHBondContact CB-OG1 3.42Å; N584-T604 PolarHBondContact O-N 2.95Å; N584-T604 PolarHBondContact O-OG1 3.35Å; N584-T604 PolarHBondContact OD1-OG1 3.17Å
585	T	98.9	Very high	98.4	Very high	9 Å²	9	45 Å²	45	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	89.4	-173.3	-56.6	0	0	0	0	109	L298 E299 K582 L583 V587 A601 V602 F611 Y613	L298-T585 HydrophobicContact CB-CG2 4.41Å; L298-T585 HydrophobicContact CD2-CG2 4.19Å; E299-T585 CarbonylContact C-O 3.59Å; E299-T585 PolarHBondContact O-N 3.09Å; K582-T585 WeakPolarHBondContact O-CB 3.2Å; K582-T585 PolarHBondContact O-OG1 3.45Å; L583-T585 PolarHBondContact O-N 2.94Å; L583-T585 VanDerWaalsContact O-N 3.15Å; L583-T585 PolarHBondContact O-OG1 3.35Å; T585-V587 PolarHBondContact O-N 3.4Å; T585-A601 HydrophobicContact CG2-CB 3.49Å; T585-A601 VanDerWaalsContact CG2-CB 3.49Å; T585-V602 CarbonylContact C-O 3.08Å; T585-V602 WeakPolarHBondContact CA-O 3.26Å; T585-F611 HydrophobicContact CG2-CD2 4.39Å; T585-Y613 HydrophobicContact CG2-CE2 4.24Å
586	A	98.8	Very high	98.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.4	-180	0	0	0	0	0	110.3	A300 A601 V602 T604 W753	A300-A586 HydrophobicContact CB-CB 4.07Å; A586-A601 CarbonylContact O-C 3.58Å; A586-A601 VanDerWaalsContact O-CA 3.25Å; A586-A601 WeakPolarHBondContact O-CA 3.27Å; A586-A601 WeakPolarHBondContact O-CB 3.29Å; A586-V602 HydrophobicContact CB-CG2 4.35Å; A586-V602 PolarHBondContact N-O 2.9Å; A586-V602 PolarHBondContact O-N 3.26Å; A586-T604 HydrophobicContact CB-CG2 3.54Å; A586-W753 HydrophobicContact CB-CH2 3.72Å; A586-W753 HydrophobicContact CB-CZ3 3.88Å
587	V	98.9	Very high	98.3	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.1	170.9	178.2	0	0	0	0	109.5	I275 L298 T585 V590 V599 A601 V634	I275-V587 HydrophobicContact CD1-CG1 4.13Å; I275-V587 HydrophobicContact CD1-CG2 4.43Å; I275-V587 HydrophobicContact CG1-CG2 4.16Å; I275-V587 HydrophobicContact CG2-CB 4.12Å; I275-V587 HydrophobicContact CG2-CG2 3.8Å; L298-V587 HydrophobicContact CB-CG2 4.05Å; L298-V587 HydrophobicContact CD1-CG2 3.79Å; T585-V587 PolarHBondContact O-N 3.4Å; V587-V590 HydrophobicContact CG1-CG2 3.94Å; V587-V599 HydrophobicContact CB-CG1 4.32Å; V587-V599 HydrophobicContact CG1-CG1 3.59Å; V587-V599 HydrophobicContact CG2-CG1 3.75Å; V587-A601 HydrophobicContact CG2-CB 4.22Å; V587-V634 HydrophobicContact CG1-CG1 4.08Å; V587-V634 WeakPolarHBondContact O-CG2 3.42Å
588	R	98.7	Very high	98.3	Very high	103 Å²	103	41.7 Å²	41.7	39%	0.389	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-30.5	178.1	-64.9	-58.8	-171.7	174	1	112.5	I600 V602 V634 Q635	R588-I600 PolarHBondContact N-O 3.36Å; R588-V602 HydrophobicContact CG-CG1 4.16Å; R588-V602 HydrophobicContact CG-CG2 3.94Å; R588-V634 WeakPolarHBondContact O-CA 3.24Å; R588-Q635 PolarHBondContact O-N 3.33Å
589	Q	98.9	Very high	98.4	Very high	27 Å²	27	38.8 Å²	38.8	13%	0.126	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.9	-179.4	-171.4	179.1	8.6	0	0	111.3	R591 I600 Q635 V637	Q589-R591 HydrophobicContact CG-CG 4.26Å; Q589-I600 HydrophobicContact CB-CB 4.16Å; Q589-I600 HydrophobicContact CB-CD1 4.23Å; Q589-I600 HydrophobicContact CG-CD1 4.47Å; Q589-I600 PolarHBondContact N-O 2.65Å; Q589-I600 VanDerWaalsContact N-O 3.16Å; Q589-I600 PolarHBondContact O-N 3.2Å; Q589-Q635 CarbonylContact C-O 3.56Å; Q589-Q635 VanDerWaalsContact CA-O 3.23Å; Q589-Q635 WeakPolarHBondContact CA-O 3.33Å; Q589-Q635 HydrophobicContact CG-CB 4.29Å; Q589-Q635 WeakPolarHBondContact CG-O 3.06Å; Q589-V637 HydrophobicContact CG-CG2 4.33Å
590	V	98.9	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112	174.1	-177.8	0	0	0	0	108.3	I275 V587 V618 V634 Q635 F636 V637 L793	I275-V590 HydrophobicContact CD1-CG2 3.46Å; I275-V590 VanDerWaalsContact CD1-CG2 3.46Å; V587-V590 HydrophobicContact CG1-CG2 3.94Å; V590-V618 HydrophobicContact CG1-CB 4.45Å; V590-V618 HydrophobicContact CG1-CG1 4.1Å; V590-V618 HydrophobicContact CG1-CG2 4.31Å; V590-V634 HydrophobicContact CG2-CG1 3.99Å; V590-Q635 PolarHBondContact N-O 3.44Å; V590-F636 HydrophobicContact CB-CD1 3.89Å; V590-F636 HydrophobicContact CB-CE1 4.06Å; V590-F636 HydrophobicContact CG1-CD1 4.3Å; V590-F636 HydrophobicContact CG1-CE1 4.39Å; V590-F636 HydrophobicContact CG2-CD1 4.41Å; V590-F636 HydrophobicContact CG2-CE1 4.12Å; V590-V637 PolarHBondContact O-N 2.87Å; V590-L793 HydrophobicContact CG1-CD1 4.16Å
591	R	98.9	Very high	98.4	Very high	97 Å²	97	36.2 Å²	36.2	37%	0.366	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.7	174.8	-62.8	177.3	177.7	-103.2	-0.8	109.4	Q589 C597 E598 V637	Q589-R591 HydrophobicContact CG-CG 4.26Å; R591-C597 CarbonylContact O-C 3.56Å; R591-C597 WeakPolarHBondContact O-CA 3.48Å; R591-C597 WeakPolarHBondContact O-CB 3.43Å; R591-E598 HydrophobicContact CB-CB 4.27Å; R591-E598 WeakPolarHBondContact CB-O 3.29Å; R591-E598 PolarHBondContact N-O 3.04Å; R591-E598 PolarHBondContact O-N 3.4Å; R591-V637 CarbonylContact C-O 3.56Å; R591-V637 VanDerWaalsContact CA-O 3.24Å; R591-V637 WeakPolarHBondContact CA-O 3.32Å; R591-V637 HydrophobicContact CG-CB 4.16Å; R591-V637 HydrophobicContact CG-CG1 4.49Å
592	Y	98.5	Very high	98.4	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.5	177.8	57.5	-87.4	0	0	0	110.9	F636 V637 P638 P639 I777 P779 L793	Y592-F636 HydrophobicContact CE1-CB 4.23Å; Y592-F636 HydrophobicContact CE1-CD1 4.36Å; Y592-V637 PolarHBondContact N-O 3.43Å; Y592-P638 HydrophobicContact CD2-CG 4.35Å; Y592-P638 VanDerWaalsContact CE1-O 3.29Å; Y592-P638 WeakPolarHBondContact CE1-O 3.25Å; Y592-P638 HydrophobicContact CE2-CG 3.67Å; Y592-P638 VanDerWaalsContact CZ-O 3.25Å; Y592-P638 VanDerWaalsContact O-CD 3.25Å; Y592-P638 WeakPolarHBondContact O-CD 3.43Å; Y592-P638 PolarHBondContact OH-O 2.49Å; Y592-P639 PolarHBondContact OH-O 3.33Å; Y592-P639 VanDerWaalsContact OH-O 3.14Å; Y592-I777 HydrophobicContact CD2-CG2 4.36Å; Y592-I777 HydrophobicContact CE2-CG2 3.61Å; Y592-P779 HydrophobicContact CD2-CB 4.16Å; Y592-L793 HydrophobicContact CD1-CD2 3.94Å; Y592-L793 HydrophobicContact CE1-CD2 3.83Å; Y592-L793 HydrophobicContact CG-CB 4.41Å
593	T	97.8	Very high	98.3	Very high	66 Å²	66	32.3 Å²	32.3	41%	0.405	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	168.6	-174	68.8	0	0	0	0	110.5	S595 G596 P779 R792	T593-S595 PolarHBondContact O-N 2.88Å; T593-S595 VanDerWaalsContact O-N 3.14Å; T593-S595 PolarHBondContact OG1-OG 2.98Å; T593-G596 PolarHBondContact N-O 3.46Å; T593-G596 PolarHBondContact O-N 3.37Å; T593-G596 PolarHBondContact OG1-O 3.42Å; T593-P779 VanDerWaalsContact C-CG 3.43Å; T593-P779 WeakPolarHBondContact O-CG 3.44Å; T593-R792 WeakPolarHBondContact O-CG 3.02Å
594	A	96.4	Very high	98.3	Very high	21 Å²	21	31.4 Å²	31.4	17%	0.174	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.6	179.7	0	0	0	0	0	113.6	A782 P789 R792	A594-A782 HydrophobicContact CB-CB 3.96Å; A594-P789 HydrophobicContact CB-CB 4.01Å; A594-P789 HydrophobicContact CB-CG 3.72Å; A594-R792 PolarHBondContact O-NE 2.91Å; A594-R792 PolarHBondContact O-NH2 3.47Å
595	S	95	Very high	98.1	Very high	102 Å²	102	39 Å²	39	71%	0.713	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.7	-177.3	52.4	0	0	0	0	114.7	T593	T593-S595 PolarHBondContact O-N 2.88Å; T593-S595 VanDerWaalsContact O-N 3.14Å; T593-S595 PolarHBondContact OG1-OG 2.98Å
596	G	97.4	Very high	97.9	Very high	10 Å²	10	41.1 Å²	41.1	10%	0.103	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-169.1	-178.7	0	0	0	0	0	112.9	T593	T593-G596 PolarHBondContact N-O 3.46Å; T593-G596 PolarHBondContact O-N 3.37Å; T593-G596 PolarHBondContact OG1-O 3.42Å
597	C	98.8	Very high	97.6	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.8	-176.4	-54.6	0	0	0	0	112.4	R591 K614 C615 V618	R591-C597 CarbonylContact O-C 3.56Å; R591-C597 WeakPolarHBondContact O-CA 3.48Å; R591-C597 WeakPolarHBondContact O-CB 3.43Å; C597-K614 WeakPolarHBondContact O-CA 3.22Å; C597-C615 PolarHBondContact N-O 3Å; C597-C615 PolarHBondContact O-N 3.05Å; C597-V618 HydrophobicContact CB-CG2 3.56Å
598	E	98.8	Very high	97.3	Very high	66 Å²	66	50.5 Å²	50.5	31%	0.308	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.6	170.3	-55.5	-173.3	142.9	0	0	109.5	R591 Y613 K614	R591-E598 HydrophobicContact CB-CB 4.27Å; R591-E598 WeakPolarHBondContact CB-O 3.29Å; R591-E598 PolarHBondContact N-O 3.04Å; R591-E598 PolarHBondContact O-N 3.4Å; E598-Y613 CarbonylContact C-O 3.53Å; E598-Y613 WeakPolarHBondContact CA-O 3.36Å; E598-K614 HydrophobicContact CG-CG 4.17Å; E598-K614 WeakPolarHBondContact OE1-CE 3.32Å; E598-K614 IonicContact OE1-NZ 2.7Å; E598-K614 PolarHBondContact OE1-NZ 3.34Å
599	V	98.9	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.5	177.2	-175.5	0	0	0	0	109.1	I273 I275 L298 V587 Y613 V618	I273-V599 HydrophobicContact CB-CG2 4.26Å; I273-V599 HydrophobicContact CG2-CB 4.28Å; I273-V599 HydrophobicContact CG2-CG1 4.49Å; I273-V599 HydrophobicContact CG2-CG2 3.9Å; I275-V599 HydrophobicContact CD1-CG1 4.37Å; L298-V599 HydrophobicContact CD1-CB 4.41Å; L298-V599 HydrophobicContact CD1-CG1 3.8Å; V587-V599 HydrophobicContact CB-CG1 4.32Å; V587-V599 HydrophobicContact CG1-CG1 3.59Å; V587-V599 HydrophobicContact CG2-CG1 3.75Å; V599-Y613 PolarHBondContact N-O 3.42Å; V599-Y613 PolarHBondContact O-N 3.18Å; V599-V618 HydrophobicContact CG2-CG1 4.23Å; V599-V618 HydrophobicContact CG2-CG2 3.54Å
600	I	98.9	Very high	97.1	Very high	30 Å²	30	52.6 Å²	52.6	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.6	179.9	-56.6	165.8	0	0	0	108.1	R588 Q589 T610 F611 I612	R588-I600 PolarHBondContact N-O 3.36Å; Q589-I600 HydrophobicContact CB-CB 4.16Å; Q589-I600 HydrophobicContact CB-CD1 4.23Å; Q589-I600 HydrophobicContact CG-CD1 4.47Å; Q589-I600 PolarHBondContact N-O 2.65Å; Q589-I600 VanDerWaalsContact N-O 3.16Å; Q589-I600 PolarHBondContact O-N 3.2Å; I600-T610 HydrophobicContact CG2-CG2 3.72Å; I600-F611 WeakPolarHBondContact CA-O 3.37Å; I600-I612 HydrophobicContact CG1-CG1 4.49Å
601	A	98.8	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.4	-178.6	0	0	0	0	0	111.3	T585 A586 V587 T610 F611 Y613	T585-A601 HydrophobicContact CG2-CB 3.49Å; T585-A601 VanDerWaalsContact CG2-CB 3.49Å; A586-A601 CarbonylContact O-C 3.58Å; A586-A601 VanDerWaalsContact O-CA 3.25Å; A586-A601 WeakPolarHBondContact O-CA 3.27Å; A586-A601 WeakPolarHBondContact O-CB 3.29Å; V587-A601 HydrophobicContact CG2-CB 4.22Å; A601-T610 WeakPolarHBondContact O-CA 3.33Å; A601-F611 PolarHBondContact N-O 3.04Å; A601-F611 PolarHBondContact O-N 3.47Å; A601-Y613 HydrophobicContact CB-CE2 4.36Å
602	V	98.6	Very high	97	Very high	14 Å²	14	55.8 Å²	55.8	9%	0.085	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.3	176.2	-60.5	0	0	0	0	110.9	T585 A586 R588 T604 T607 Q609	T585-V602 CarbonylContact C-O 3.08Å; T585-V602 WeakPolarHBondContact CA-O 3.26Å; A586-V602 HydrophobicContact CB-CG2 4.35Å; A586-V602 PolarHBondContact N-O 2.9Å; A586-V602 PolarHBondContact O-N 3.26Å; R588-V602 HydrophobicContact CG-CG1 4.16Å; R588-V602 HydrophobicContact CG-CG2 3.94Å; V602-T604 PolarHBondContact O-N 2.88Å; V602-T607 HydrophobicContact CG2-CG2 4.47Å; V602-Q609 VanDerWaalsContact CA-O 3.29Å; V602-Q609 WeakPolarHBondContact CA-O 3.44Å
603	N	98.1	Very high	97	Very high	18 Å²	18	57.5 Å²	57.5	10%	0.096	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.5	170.8	-170.9	-25.8	0	0	0	109.5	N584 R605 S606 T607 Q609 F611	N584-N603 CarbonylContact O-C 3.57Å; N584-N603 VanDerWaalsContact O-CA 3.28Å; N584-N603 WeakPolarHBondContact O-CA 3.34Å; N603-R605 PolarHBondContact O-N 2.95Å; N603-R605 WeakPolarHBondContact OD1-CB 3.26Å; N603-R605 PolarHBondContact OD1-N 3.07Å; N603-R605 PolarHBondContact OD1-NE 3.26Å; N603-S606 CarbonylContact O-C 3.42Å; N603-S606 PolarHBondContact O-N 3.35Å; N603-S606 VanDerWaalsContact O-O 3.09Å; N603-T607 WeakPolarHBondContact O-CA 3.43Å; N603-T607 PolarHBondContact O-N 2.97Å; N603-Q609 HydrophobicContact CB-CB 4.21Å; N603-Q609 PolarHBondContact N-O 3.02Å; N603-Q609 VanDerWaalsContact N-O 3.15Å; N603-Q609 PolarHBondContact ND2-OE1 3.21Å; N603-Q609 VanDerWaalsContact ND2-OE1 3.14Å; N603-F611 HydrophobicContact CB-CE2 3.98Å
604	T	97.1	Very high	97.1	Very high	45 Å²	45	61.2 Å²	61.2	28%	0.276	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.1	-179.7	51.7	0	0	0	0	113.3	A300 N584 A586 V602 W753	A300-T604 HydrophobicContact CB-CG2 4.49Å; A300-T604 VanDerWaalsContact O-CG2 3.23Å; A300-T604 WeakPolarHBondContact O-CG2 3.44Å; A300-T604 PolarHBondContact O-OG1 3.47Å; N584-T604 VanDerWaalsContact CA-OG1 3.26Å; N584-T604 WeakPolarHBondContact CA-OG1 3.44Å; N584-T604 VanDerWaalsContact CB-OG1 3.31Å; N584-T604 WeakPolarHBondContact CB-OG1 3.42Å; N584-T604 PolarHBondContact O-N 2.95Å; N584-T604 PolarHBondContact O-OG1 3.35Å; N584-T604 PolarHBondContact OD1-OG1 3.17Å; A586-T604 HydrophobicContact CB-CG2 3.54Å; V602-T604 PolarHBondContact O-N 2.88Å; T604-W753 HydrophobicContact CG2-CH2 4.07Å; T604-W753 HydrophobicContact CG2-CZ2 3.94Å
605	R	95.8	Very high	97.2	Very high	189 Å²	189	60.7 Å²	60.7	71%	0.713	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-26	175.4	-61	172.8	-70.6	178.2	-3.1	112.8	N603	N603-R605 PolarHBondContact O-N 2.95Å; N603-R605 WeakPolarHBondContact OD1-CB 3.26Å; N603-R605 PolarHBondContact OD1-N 3.07Å; N603-R605 PolarHBondContact OD1-NE 3.26Å
606	S	93.4	Very high	97.4	Very high	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	97.3	177.4	-176.9	0	0	0	0	110	N603 T608 Q609	N603-S606 CarbonylContact O-C 3.42Å; N603-S606 PolarHBondContact O-N 3.35Å; N603-S606 VanDerWaalsContact O-O 3.09Å; S606-T608 PolarHBondContact O-N 2.81Å; S606-T608 PolarHBondContact OG-OG1 3.28Å; S606-Q609 PolarHBondContact O-N 2.77Å; S606-Q609 VanDerWaalsContact O-N 3.14Å
607	T	93	Very high	97.5	Very high	89 Å²	89	58.2 Å²	58.2	55%	0.546	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-6.7	-171.6	54.3	0	0	0	0	114.5	V602 N603	V602-T607 HydrophobicContact CG2-CG2 4.47Å; N603-T607 WeakPolarHBondContact O-CA 3.43Å; N603-T607 PolarHBondContact O-N 2.97Å
608	T	93.4	Very high	97.5	Very high	120 Å²	120	58 Å²	58	74%	0.736	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	-24.5	173.6	54.5	0	0	0	0	113.1	S606 T610	S606-T608 PolarHBondContact O-N 2.81Å; S606-T608 PolarHBondContact OG-OG1 3.28Å; T608-T610 PolarHBondContact O-N 3.2Å
609	Q	95.2	Very high	97.5	Very high	92 Å²	92	54.9 Å²	54.9	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.8	178.6	-173	179.9	24.8	0	0	109.7	V602 N603 S606 F611	V602-Q609 VanDerWaalsContact CA-O 3.29Å; V602-Q609 WeakPolarHBondContact CA-O 3.44Å; N603-Q609 HydrophobicContact CB-CB 4.21Å; N603-Q609 PolarHBondContact N-O 3.02Å; N603-Q609 VanDerWaalsContact N-O 3.15Å; N603-Q609 PolarHBondContact ND2-OE1 3.21Å; N603-Q609 VanDerWaalsContact ND2-OE1 3.14Å; S606-Q609 PolarHBondContact O-N 2.77Å; S606-Q609 VanDerWaalsContact O-N 3.14Å; Q609-F611 HydrophobicContact CG-CE1 4.1Å; Q609-F611 HydrophobicContact CG-CE2 4.15Å; Q609-F611 HydrophobicContact CG-CZ 3.7Å
610	T	97.2	Very high	97.5	Very high	83 Å²	83	54.9 Å²	54.9	51%	0.509	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.8	-179.7	-56	0	0	0	0	111	I600 A601 T608	I600-T610 HydrophobicContact CG2-CG2 3.72Å; A601-T610 WeakPolarHBondContact O-CA 3.33Å; T608-T610 PolarHBondContact O-N 3.2Å
611	F	98.1	Very high	97.5	Very high	56 Å²	56	54 Å²	54	25%	0.246	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.5	174	-53.5	-77.9	0	0	0	110	T585 I600 A601 N603 Q609 Y613	T585-F611 HydrophobicContact CG2-CD2 4.39Å; I600-F611 WeakPolarHBondContact CA-O 3.37Å; A601-F611 PolarHBondContact N-O 3.04Å; A601-F611 PolarHBondContact O-N 3.47Å; N603-F611 HydrophobicContact CB-CE2 3.98Å; Q609-F611 HydrophobicContact CG-CE1 4.1Å; Q609-F611 HydrophobicContact CG-CE2 4.15Å; Q609-F611 HydrophobicContact CG-CZ 3.7Å; F611-Y613 HydrophobicContact CB-CD2 4.24Å; F611-Y613 HydrophobicContact CB-CE2 3.44Å; F611-Y613 VanDerWaalsContact CB-CE2 3.44Å; F611-Y613 HydrophobicContact CG-CE2 4.34Å
612	I	98.7	Very high	97.5	Very high	107 Å²	107	55 Å²	55	55%	0.549	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.2	174.7	-58.2	177.8	0	0	0	107.8	I600	I600-I612 HydrophobicContact CG1-CG1 4.49Å
613	Y	98.8	Very high	97.5	Very high	42 Å²	42	55.2 Å²	55.2	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.5	177.8	-60.8	-87.9	0	0	0	109.4	I273 L298 K582 T585 E598 V599 A601 F611	I273-Y613 HydrophobicContact CD1-CD1 4.33Å; I273-Y613 HydrophobicContact CD1-CG 4.36Å; L298-Y613 HydrophobicContact CD1-CD2 3.67Å; L298-Y613 HydrophobicContact CD1-CE2 3.92Å; L298-Y613 HydrophobicContact CD1-CG 4.24Å; L298-Y613 HydrophobicContact CD2-CD1 4.32Å; L298-Y613 HydrophobicContact CD2-CD2 4.06Å; L298-Y613 HydrophobicContact CD2-CE1 3.99Å; L298-Y613 HydrophobicContact CD2-CE2 3.69Å; L298-Y613 HydrophobicContact CD2-CG 4.35Å; L298-Y613 HydrophobicContact CG-CE2 4.49Å; K582-Y613 HydrophobicContact CG-CE1 4.48Å; T585-Y613 HydrophobicContact CG2-CE2 4.24Å; E598-Y613 CarbonylContact C-O 3.53Å; E598-Y613 WeakPolarHBondContact CA-O 3.36Å; V599-Y613 PolarHBondContact N-O 3.42Å; V599-Y613 PolarHBondContact O-N 3.18Å; A601-Y613 HydrophobicContact CB-CE2 4.36Å; F611-Y613 HydrophobicContact CB-CD2 4.24Å; F611-Y613 HydrophobicContact CB-CE2 3.44Å; F611-Y613 VanDerWaalsContact CB-CE2 3.44Å; F611-Y613 HydrophobicContact CG-CE2 4.34Å
614	K	98.8	Very high	97.5	Very high	143 Å²	143	54.4 Å²	54.4	62%	0.622	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.3	174.5	-55.5	-162.4	-179	-144.7	0	110.3	C597 E598	C597-K614 WeakPolarHBondContact O-CA 3.22Å; E598-K614 HydrophobicContact CG-CG 4.17Å; E598-K614 WeakPolarHBondContact OE1-CE 3.32Å; E598-K614 IonicContact OE1-NZ 2.7Å; E598-K614 PolarHBondContact OE1-NZ 3.34Å
615	C	98.8	Very high	97.6	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	167.9	-179.2	57.6	0	0	0	0	113.1	K271 I273 C597 A617	K271-C615 HydrophobicContact CB-CB 4.22Å; K271-C615 HydrophobicContact CG-CB 3.76Å; K271-C615 WeakPolarHBondContact O-CB 3.38Å; I273-C615 HydrophobicContact CB-CB 4.42Å; I273-C615 HydrophobicContact CG1-CB 3.69Å; I273-C615 VanDerWaalsContact CG1-SG 3.53Å; C597-C615 PolarHBondContact N-O 3Å; C597-C615 PolarHBondContact O-N 3.05Å; C615-A617 PolarHBondContact SG-O 2.66Å
616	D	98.8	Very high	97.8	Very high	59 Å²	59	44 Å²	44	32%	0.316	24%	0.238	S	C	.	.	S	Bend	trans	-80	-35.4	176.2	-61.2	-61.1	0	0	0	111.7	G270 K271 R792 F826	G270-D616 WeakPolarHBondContact CA-OD2 3.37Å; K271-D616 PolarHBondContact N-OD2 3.03Å; K271-D616 WeakPolarHBondContact O-CB 3.42Å; K271-D616 PolarHBondContact O-N 3.07Å; D616-R792 WeakPolarHBondContact O-CD 3.36Å; D616-R792 PolarHBondContact O-NH1 3.38Å; D616-F826 HydrophobicContact CB-CD1 4.32Å; D616-F826 HydrophobicContact CB-CE1 3.96Å
617	A	98.9	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.8	178.9	0	0	0	0	0	112	K271 V272 I273 C615 R792 F794 F826	K271-A617 PolarHBondContact O-N 3.15Å; V272-A617 WeakPolarHBondContact CA-O 3.35Å; I273-A617 PolarHBondContact N-O 3.24Å; C615-A617 PolarHBondContact SG-O 2.66Å; A617-R792 WeakPolarHBondContact CA-O 3.35Å; A617-F794 HydrophobicContact CB-CD2 4.27Å; A617-F794 HydrophobicContact CB-CE2 4.02Å; A617-F826 HydrophobicContact CB-CE2 3.71Å; A617-F826 HydrophobicContact CB-CZ 3.86Å
618	V	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.3	172.8	178.7	0	0	0	0	108.9	I273 I275 V590 C597 V599 R792 L793 F794	I273-V618 CarbonylContact O-C 3.56Å; I273-V618 VanDerWaalsContact O-CA 3.31Å; I273-V618 WeakPolarHBondContact O-CA 3.5Å; I275-V618 HydrophobicContact CD1-CG1 3.6Å; I275-V618 HydrophobicContact CG1-CG1 4.02Å; V590-V618 HydrophobicContact CG1-CB 4.45Å; V590-V618 HydrophobicContact CG1-CG1 4.1Å; V590-V618 HydrophobicContact CG1-CG2 4.31Å; C597-V618 HydrophobicContact CB-CG2 3.56Å; V599-V618 HydrophobicContact CG2-CG1 4.23Å; V599-V618 HydrophobicContact CG2-CG2 3.54Å; V618-R792 PolarHBondContact N-O 3.2Å; V618-L793 HydrophobicContact CB-CD1 3.89Å; V618-L793 HydrophobicContact CG1-CD1 3.79Å; V618-L793 WeakPolarHBondContact O-CA 3.43Å; V618-F794 PolarHBondContact O-N 3.18Å
619	L	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.9	167.1	177.4	59.3	0	0	0	109.2	I273 I274 I275 A284 T621 F794 A796 E818 I822	I273-L619 PolarHBondContact O-N 3.24Å; I274-L619 WeakPolarHBondContact CA-O 3.4Å; I274-L619 HydrophobicContact CD1-CD2 4.21Å; I274-L619 HydrophobicContact CG1-CB 4.11Å; I274-L619 HydrophobicContact CG1-CD2 4.28Å; I274-L619 HydrophobicContact CG2-CB 4.43Å; I274-L619 HydrophobicContact CG2-CD2 4.23Å; I274-L619 HydrophobicContact CG2-CG 4.38Å; I275-L619 PolarHBondContact N-O 3.26Å; A284-L619 HydrophobicContact CB-CD2 3.34Å; L619-T621 HydrophobicContact CD2-CG2 4.33Å; L619-T621 HydrophobicContact CG-CG2 3.96Å; L619-F794 HydrophobicContact CD1-CB 3.81Å; L619-A796 HydrophobicContact CD1-CB 3.87Å; L619-E818 HydrophobicContact CD1-CB 3.68Å; L619-E818 HydrophobicContact CD1-CG 3.8Å; L619-E818 HydrophobicContact CD2-CB 4.31Å; L619-I822 HydrophobicContact CB-CD1 4.21Å
620	C	98.9	Very high	98.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.8	175.9	-179.9	0	0	0	0	110.3	L793 F794 F795 A796	C620-L793 HydrophobicContact CB-CD1 4.08Å; C620-F794 PolarHBondContact N-O 2.74Å; C620-F795 HydrophobicContact CB-CD1 3.89Å; C620-F795 HydrophobicContact CB-CE1 3.86Å; C620-F795 HydrophobicContact CB-CZ 4.48Å; C620-F795 WeakPolarHBondContact O-CA 3.38Å; C620-A796 PolarHBondContact O-N 3.44Å; C620-A796 VanDerWaalsContact O-N 3.09Å
621	T	98.9	Very high	98.6	Very high	11 Å²	11	41.6 Å²	41.6	7%	0.067	21%	0.209	C	C	.	.			trans	-122.2	20	172.7	78.2	0	0	0	0	113	I274 I275 G276 L619 A796	I274-T621 HydrophobicContact CG2-CG2 4.23Å; I275-T621 CarbonylContact O-C 3.55Å; I275-T621 WeakPolarHBondContact O-CA 3.37Å; I275-T621 WeakPolarHBondContact O-CB 3.39Å; I275-T621 PolarHBondContact O-N 3.38Å; I275-T621 PolarHBondContact O-OG1 3.37Å; G276-T621 PolarHBondContact O-OG1 2.92Å; L619-T621 HydrophobicContact CD2-CG2 4.33Å; L619-T621 HydrophobicContact CG-CG2 3.96Å; T621-A796 WeakPolarHBondContact CA-O 3.43Å; T621-A796 HydrophobicContact CG2-CB 4.04Å
622	L	98.9	Very high	98.6	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.11	22%	0.222	C	C	.	.			trans	-53.5	134.5	172.7	-67.1	173.8	0	0	0	110	I275 V626 L627 V634 H799	I275-L622 HydrophobicContact CG2-CD1 4.41Å; I275-L622 HydrophobicContact CG2-CD2 3.64Å; I275-L622 HydrophobicContact CG2-CG 3.83Å; L622-V626 HydrophobicContact CD2-CG1 4.33Å; L622-L627 HydrophobicContact CB-CD2 4.06Å; L622-L627 HydrophobicContact CB-CG 4.25Å; L622-L627 HydrophobicContact CD1-CD2 4.05Å; L622-V634 HydrophobicContact CD1-CB 4.02Å; L622-V634 HydrophobicContact CD1-CG1 4.17Å; L622-V634 HydrophobicContact CD1-CG2 3.72Å; L622-H799 PolarHBondContact O-CE1 2.59Å
623	P	98.9	Very high	98.6	Very high	19 Å²	19	38.8 Å²	38.8	12%	0.123	21%	0.206	C	C	.	.			trans	-57.7	149	174.6	-27.7	37.9	0	0	0	112.1	G625 V626 L627 F653 W753	P623-G625 PolarHBondContact O-N 3.03Å; P623-V626 HydrophobicContact CB-CG2 4.37Å; P623-V626 HydrophobicContact CG-CG2 4.45Å; P623-V626 WeakPolarHBondContact O-CB 2.99Å; P623-V626 PolarHBondContact O-N 2.89Å; P623-L627 PolarHBondContact O-N 3.05Å; P623-F653 HydrophobicContact CB-CZ 4.09Å; P623-W753 WeakPolarHBondContact CG-O 3.31Å
624	L	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-37.8	179.3	174.2	64.2	0	0	0	112.1	V626 L627 K628 I648 M651 G652 F653 M773 H799	L624-V626 VanDerWaalsContact C-N 3.27Å; L624-V626 PolarHBondContact O-N 3.33Å; L624-L627 WeakPolarHBondContact O-CB 3.42Å; L624-L627 PolarHBondContact O-N 3.42Å; L624-L627 VanDerWaalsContact O-N 3.12Å; L624-K628 HydrophobicContact CD1-CD 4.48Å; L624-K628 HydrophobicContact CD1-CG 4.25Å; L624-K628 HydrophobicContact CG-CD 4.17Å; L624-K628 HydrophobicContact CG-CG 4.39Å; L624-K628 WeakPolarHBondContact O-CG 3.33Å; L624-K628 PolarHBondContact O-N 3.27Å; L624-I648 HydrophobicContact CD1-CB 4.37Å; L624-I648 HydrophobicContact CD1-CG1 4.38Å; L624-I648 HydrophobicContact CD1-CG2 4.06Å; L624-M651 HydrophobicContact CD2-CB 3.69Å; L624-M651 HydrophobicContact CD2-CE 4.39Å; L624-M651 HydrophobicContact CD2-SD 4.44Å; L624-G652 WeakPolarHBondContact CD2-O 3.47Å; L624-F653 HydrophobicContact CB-CD2 3.61Å; L624-F653 HydrophobicContact CB-CE2 3.9Å; L624-F653 HydrophobicContact CB-CG 4.24Å; L624-F653 HydrophobicContact CD2-CB 4.13Å; L624-F653 HydrophobicContact CD2-CD2 3.99Å; L624-F653 HydrophobicContact CD2-CG 4.45Å; L624-F653 HydrophobicContact CG-CB 4.28Å; L624-F653 HydrophobicContact CG-CD2 4.06Å; L624-F653 HydrophobicContact CG-CG 4.37Å; L624-M773 HydrophobicContact CD1-CE 4.4Å; L624-H799 HydrophobicContact CB-CB 3.89Å; L624-H799 HydrophobicContact CD2-CB 4.3Å
625	G	98.9	Very high	98.6	Very high	5 Å²	5	36 Å²	36	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-33.6	174.8	0	0	0	0	0	114.2	P623 R755	P623-G625 PolarHBondContact O-N 3.03Å; G625-R755 VanDerWaalsContact C-CB 3.42Å; G625-R755 WeakPolarHBondContact O-CB 3.37Å
626	V	98.9	Very high	98.6	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-72.4	-40	174.6	178.5	0	0	0	0	110.5	L622 P623 L624 K628 Q629 A633 R755	L622-V626 HydrophobicContact CD2-CG1 4.33Å; P623-V626 HydrophobicContact CB-CG2 4.37Å; P623-V626 HydrophobicContact CG-CG2 4.45Å; P623-V626 WeakPolarHBondContact O-CB 2.99Å; P623-V626 PolarHBondContact O-N 2.89Å; L624-V626 VanDerWaalsContact C-N 3.27Å; L624-V626 PolarHBondContact O-N 3.33Å; V626-K628 VanDerWaalsContact C-N 3.27Å; V626-K628 PolarHBondContact O-N 2.86Å; V626-Q629 WeakPolarHBondContact O-CB 3.37Å; V626-Q629 PolarHBondContact O-N 3.32Å; V626-A633 HydrophobicContact CG1-CB 4.48Å; V626-R755 HydrophobicContact CG2-CG 4.3Å
627	L	98.9	Very high	98.6	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-28.9	175.8	-62.6	176.9	0	0	0	112.8	L622 P623 L624 Q629 F636 I648 M773	L622-L627 HydrophobicContact CB-CD2 4.06Å; L622-L627 HydrophobicContact CB-CG 4.25Å; L622-L627 HydrophobicContact CD1-CD2 4.05Å; P623-L627 PolarHBondContact O-N 3.05Å; L624-L627 WeakPolarHBondContact O-CB 3.42Å; L624-L627 PolarHBondContact O-N 3.42Å; L624-L627 VanDerWaalsContact O-N 3.12Å; L627-Q629 VanDerWaalsContact C-N 3.33Å; L627-F636 HydrophobicContact CD2-CE2 4.02Å; L627-F636 HydrophobicContact CD2-CZ 4.06Å; L627-I648 HydrophobicContact CB-CD1 4.19Å; L627-I648 HydrophobicContact CB-CG1 4.47Å; L627-I648 HydrophobicContact CB-CG2 4.11Å; L627-I648 HydrophobicContact CD1-CD1 4.43Å; L627-M773 HydrophobicContact CD1-CE 3.72Å
628	K	98.8	Very high	98.6	Very high	62 Å²	62	38.6 Å²	38.6	27%	0.27	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.8	176.4	-78.9	177.2	171	-71.9	0	114.3	L624 V626 Q630 I648 Q649 M651 F653	L624-K628 HydrophobicContact CD1-CD 4.48Å; L624-K628 HydrophobicContact CD1-CG 4.25Å; L624-K628 HydrophobicContact CG-CD 4.17Å; L624-K628 HydrophobicContact CG-CG 4.39Å; L624-K628 WeakPolarHBondContact O-CG 3.33Å; L624-K628 PolarHBondContact O-N 3.27Å; V626-K628 VanDerWaalsContact C-N 3.27Å; V626-K628 PolarHBondContact O-N 2.86Å; K628-Q630 PolarHBondContact O-N 3.12Å; K628-I648 WeakPolarHBondContact CE-O 3.19Å; K628-I648 HydrophobicContact CG-CG2 3.74Å; K628-I648 WeakPolarHBondContact CG-O 3.49Å; K628-I648 PolarHBondContact NZ-O 3.34Å; K628-Q649 PolarHBondContact NZ-O 3.19Å; K628-M651 WeakPolarHBondContact CE-O 3.26Å; K628-M651 PolarHBondContact NZ-O 3.35Å; K628-F653 HydrophobicContact CD-CB 4.13Å
629	Q	98.3	Very high	98.6	Very high	49 Å²	49	43.6 Å²	43.6	23%	0.229	25%	0.247	C	C	.	.			trans	-63.8	135.8	-170.9	-163.4	179.4	-6.7	0	0	112.1	V626 L627 P631 P632	V626-Q629 WeakPolarHBondContact O-CB 3.37Å; V626-Q629 PolarHBondContact O-N 3.32Å; L627-Q629 VanDerWaalsContact C-N 3.33Å; Q629-P631 CarbonylContact C-O 3.54Å; Q629-P631 WeakPolarHBondContact CG-O 3.31Å; Q629-P631 CarbonylContact O-C 3.58Å; Q629-P632 WeakPolarHBondContact O-CA 3.45Å
630	Q	96.2	Very high	98.5	Very high	147 Å²	147	44.5 Å²	44.5	69%	0.687	25%	0.252	S	S	*	.	S	Bend	trans	-129.8	120.1	173.6	-66.8	-61.7	-24.3	0	0	109.5	K628	K628-Q630 PolarHBondContact O-N 3.12Å
631	P	97.6	Very high	98.5	Very high	108 Å²	108	46.3 Å²	46.3	70%	0.701	26%	0.263	S	S	*	.	S	Bend	cis	-63.9	154.9	-6.3	29.3	-35.8	0	0	0	112.5	Q629 A633	Q629-P631 CarbonylContact C-O 3.54Å; Q629-P631 WeakPolarHBondContact CG-O 3.31Å; Q629-P631 CarbonylContact O-C 3.58Å; P631-A633 PolarHBondContact O-N 3.09Å
632	P	98.2	Very high	98.5	Very high	79 Å²	79	53.1 Å²	53.1	51%	0.513	29%	0.294	S	S	.	.			trans	-63.3	133.5	-175.5	-22.7	33.5	0	0	0	113.3	Q629 V634	Q629-P632 WeakPolarHBondContact O-CA 3.45Å; P632-V634 VanDerWaalsContact C-N 3.32Å
633	A	98.2	Very high	98.5	Very high	25 Å²	25	56.9 Å²	56.9	21%	0.207	31%	0.307	C	S	.	.	S	Bend	trans	-71.7	-28.1	168.5	0	0	0	0	0	113.1	V626 P631	V626-A633 HydrophobicContact CG1-CB 4.48Å; P631-A633 PolarHBondContact O-N 3.09Å
634	V	98.8	Very high	98.5	Very high	14 Å²	14	56 Å²	56	9%	0.085	30%	0.301	C	S	.	.	S	Bend	trans	-125.1	121.7	177.1	-176.5	0	0	0	0	108.9	V587 R588 V590 L622 P632 F636	V587-V634 HydrophobicContact CG1-CG1 4.08Å; V587-V634 WeakPolarHBondContact O-CG2 3.42Å; R588-V634 WeakPolarHBondContact O-CA 3.24Å; V590-V634 HydrophobicContact CG2-CG1 3.99Å; L622-V634 HydrophobicContact CD1-CB 4.02Å; L622-V634 HydrophobicContact CD1-CG1 4.17Å; L622-V634 HydrophobicContact CD1-CG2 3.72Å; P632-V634 VanDerWaalsContact C-N 3.32Å; V634-F636 HydrophobicContact CG1-CE2 4.48Å
635	Q	98.8	Very high	98.5	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.7	176.9	-170.7	-177.7	16.2	0	0	110.7	R588 Q589 V590 V637	R588-Q635 PolarHBondContact O-N 3.33Å; Q589-Q635 CarbonylContact C-O 3.56Å; Q589-Q635 VanDerWaalsContact CA-O 3.23Å; Q589-Q635 WeakPolarHBondContact CA-O 3.33Å; Q589-Q635 HydrophobicContact CG-CB 4.29Å; Q589-Q635 WeakPolarHBondContact CG-O 3.06Å; V590-Q635 PolarHBondContact N-O 3.44Å; Q635-V637 HydrophobicContact CG-CG2 4.12Å
636	F	98.9	Very high	98.5	Very high	23 Å²	23	59.2 Å²	59.2	10%	0.101	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.9	171.3	-68.3	-85.5	0	0	0	109.8	V590 Y592 L627 V634 P638 L640 L793	V590-F636 HydrophobicContact CB-CD1 3.89Å; V590-F636 HydrophobicContact CB-CE1 4.06Å; V590-F636 HydrophobicContact CG1-CD1 4.3Å; V590-F636 HydrophobicContact CG1-CE1 4.39Å; V590-F636 HydrophobicContact CG2-CD1 4.41Å; V590-F636 HydrophobicContact CG2-CE1 4.12Å; Y592-F636 HydrophobicContact CE1-CB 4.23Å; Y592-F636 HydrophobicContact CE1-CD1 4.36Å; L627-F636 HydrophobicContact CD2-CE2 4.02Å; L627-F636 HydrophobicContact CD2-CZ 4.06Å; V634-F636 HydrophobicContact CG1-CE2 4.48Å; F636-P638 CarbonylContact C-O 3.57Å; F636-P638 CarbonylContact O-C 3.56Å; F636-L640 HydrophobicContact CB-CD2 4.14Å; F636-L640 HydrophobicContact CB-CG 3.91Å; F636-L640 HydrophobicContact CD1-CD2 3.84Å; F636-L640 HydrophobicContact CD1-CG 4.2Å; F636-L640 HydrophobicContact CD2-CD1 3.71Å; F636-L640 HydrophobicContact CD2-CD2 4.34Å; F636-L640 HydrophobicContact CD2-CG 3.79Å; F636-L640 HydrophobicContact CE1-CD2 4.34Å; F636-L640 HydrophobicContact CE2-CD1 3.83Å; F636-L640 HydrophobicContact CE2-CG 4.37Å; F636-L640 HydrophobicContact CG-CD1 4.08Å; F636-L640 HydrophobicContact CG-CD2 3.84Å; F636-L640 HydrophobicContact CG-CG 3.69Å; F636-L640 HydrophobicContact CZ-CD1 4.29Å; F636-L793 HydrophobicContact CD1-CD2 3.71Å; F636-L793 HydrophobicContact CE1-CD1 4.43Å; F636-L793 HydrophobicContact CE1-CD2 3.77Å
637	V	98.6	Very high	98.5	Very high	40 Å²	40	58.7 Å²	58.7	24%	0.242	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.9	178.2	175.4	0	0	0	0	110.9	Q589 V590 R591 Y592 Q635	Q589-V637 HydrophobicContact CG-CG2 4.33Å; V590-V637 PolarHBondContact O-N 2.87Å; R591-V637 CarbonylContact C-O 3.56Å; R591-V637 VanDerWaalsContact CA-O 3.24Å; R591-V637 WeakPolarHBondContact CA-O 3.32Å; R591-V637 HydrophobicContact CG-CB 4.16Å; R591-V637 HydrophobicContact CG-CG1 4.49Å; Y592-V637 PolarHBondContact N-O 3.43Å; Q635-V637 HydrophobicContact CG-CG2 4.12Å
638	P	98.4	Very high	98.5	Very high	61 Å²	61	58.1 Å²	58.1	40%	0.396	32%	0.315	S	S	.	.	S	Bend	cis	-60.7	167.2	-4.7	28.6	-35.2	0	0	0	112.6	Y592 F636	Y592-P638 HydrophobicContact CD2-CG 4.35Å; Y592-P638 VanDerWaalsContact CE1-O 3.29Å; Y592-P638 WeakPolarHBondContact CE1-O 3.25Å; Y592-P638 HydrophobicContact CE2-CG 3.67Å; Y592-P638 VanDerWaalsContact CZ-O 3.25Å; Y592-P638 VanDerWaalsContact O-CD 3.25Å; Y592-P638 WeakPolarHBondContact O-CD 3.43Å; Y592-P638 PolarHBondContact OH-O 2.49Å; F636-P638 CarbonylContact C-O 3.57Å; F636-P638 CarbonylContact O-C 3.56Å
639	P	98.6	Very high	98.5	Very high	106 Å²	106	61.4 Å²	61.4	69%	0.688	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-55.9	150.4	175.2	-25	34.9	0	0	0	112.1	Y592	Y592-P639 PolarHBondContact OH-O 3.33Å; Y592-P639 VanDerWaalsContact OH-O 3.14Å
640	L	98.6	Very high	98.5	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.099	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-60.6	142.6	171.5	-64.9	179.6	0	0	0	109.8	F636 K644 T645 I648 I777 L793 F795	F636-L640 HydrophobicContact CB-CD2 4.14Å; F636-L640 HydrophobicContact CB-CG 3.91Å; F636-L640 HydrophobicContact CD1-CD2 3.84Å; F636-L640 HydrophobicContact CD1-CG 4.2Å; F636-L640 HydrophobicContact CD2-CD1 3.71Å; F636-L640 HydrophobicContact CD2-CD2 4.34Å; F636-L640 HydrophobicContact CD2-CG 3.79Å; F636-L640 HydrophobicContact CE1-CD2 4.34Å; F636-L640 HydrophobicContact CE2-CD1 3.83Å; F636-L640 HydrophobicContact CE2-CG 4.37Å; F636-L640 HydrophobicContact CG-CD1 4.08Å; F636-L640 HydrophobicContact CG-CD2 3.84Å; F636-L640 HydrophobicContact CG-CG 3.69Å; F636-L640 HydrophobicContact CZ-CD1 4.29Å; L640-K644 HydrophobicContact CB-CG 4.43Å; L640-K644 HydrophobicContact CD1-CG 4.15Å; L640-T645 HydrophobicContact CB-CG2 3.76Å; L640-I648 HydrophobicContact CD1-CD1 4.1Å; L640-I777 HydrophobicContact CD2-CG1 4.35Å; L640-L793 HydrophobicContact CD2-CD2 3.82Å; L640-F795 HydrophobicContact CD1-CZ 4.47Å; L640-F795 HydrophobicContact CD2-CZ 4.07Å
641	P	98.6	Very high	98.6	Very high	39 Å²	39	57 Å²	57	25%	0.253	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.7	158.5	-179.9	28.7	-35.9	0	0	0	111.8	W643 K644 T645 I777	P641-W643 VanDerWaalsContact C-N 3.35Å; P641-W643 HydrophobicContact CB-CG 4.49Å; P641-W643 HydrophobicContact CG-CD2 4.2Å; P641-W643 VanDerWaalsContact CG-CE2 3.44Å; P641-W643 HydrophobicContact CG-CG 4.45Å; P641-W643 HydrophobicContact CG-CZ2 3.75Å; P641-W643 PolarHBondContact O-N 3.31Å; P641-K644 HydrophobicContact CG-CB 4.13Å; P641-K644 WeakPolarHBondContact O-CB 3.47Å; P641-K644 PolarHBondContact O-N 2.89Å; P641-T645 PolarHBondContact O-N 3.37Å; P641-T645 PolarHBondContact O-OG1 2.92Å; P641-I777 HydrophobicContact CG-CD1 3.76Å
642	E	98.7	Very high	98.7	Very high	154 Å²	154	51.9 Å²	51.9	72%	0.72	27%	0.274	S	S	*	.	H	α-helix	trans	-54.7	-47.4	-176.8	-172.4	-175.8	168.9	0	0	112.3	K644 T645 S646	E642-K644 PolarHBondContact O-N 3.46Å; E642-T645 WeakPolarHBondContact CA-OG1 3.41Å; E642-T645 PolarHBondContact O-N 3.38Å; E642-T645 VanDerWaalsContact O-N 3.08Å; E642-T645 PolarHBondContact O-OG1 3.19Å; E642-T645 VanDerWaalsContact O-OG1 3.1Å; E642-S646 VanDerWaalsContact O-CB 3.29Å; E642-S646 WeakPolarHBondContact O-CB 3.49Å; E642-S646 PolarHBondContact O-N 3.43Å; E642-S646 PolarHBondContact O-OG 2.91Å; E642-S646 VanDerWaalsContact O-OG 3.04Å
643	W	98.7	Very high	98.7	Very high	100 Å²	100	48.6 Å²	48.6	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-56.8	-30.4	-179.7	63.6	-101.2	0	0	0	113.4	P641 A647 L772 Q775 I777	P641-W643 VanDerWaalsContact C-N 3.35Å; P641-W643 HydrophobicContact CB-CG 4.49Å; P641-W643 HydrophobicContact CG-CD2 4.2Å; P641-W643 VanDerWaalsContact CG-CE2 3.44Å; P641-W643 HydrophobicContact CG-CG 4.45Å; P641-W643 HydrophobicContact CG-CZ2 3.75Å; P641-W643 PolarHBondContact O-N 3.31Å; W643-A647 PolarHBondContact O-N 3.34Å; W643-L772 HydrophobicContact CE3-CD2 4.21Å; W643-L772 WeakPolarHBondContact CZ3-O 3.34Å; W643-Q775 HydrophobicContact CH2-CB 3.62Å; W643-Q775 HydrophobicContact CZ3-CB 3.81Å; W643-I777 HydrophobicContact CH2-CD1 3.5Å; W643-I777 HydrophobicContact CZ2-CD1 3.36Å
644	K	98.8	Very high	98.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-79.4	-47.4	175.9	-178.2	70.7	74.3	178.5	0	110.9	L640 P641 E642 A647 I648 L772 M773 Q775	L640-K644 HydrophobicContact CB-CG 4.43Å; L640-K644 HydrophobicContact CD1-CG 4.15Å; P641-K644 HydrophobicContact CG-CB 4.13Å; P641-K644 WeakPolarHBondContact O-CB 3.47Å; P641-K644 PolarHBondContact O-N 2.89Å; E642-K644 PolarHBondContact O-N 3.46Å; K644-A647 PolarHBondContact O-N 3Å; K644-I648 HydrophobicContact CG-CD1 4.11Å; K644-I648 VanDerWaalsContact O-CG1 3.31Å; K644-I648 WeakPolarHBondContact O-CG1 3.48Å; K644-I648 PolarHBondContact O-N 3.14Å; K644-L772 PolarHBondContact NZ-O 3.2Å; K644-M773 HydrophobicContact CD-CE 4.45Å; K644-M773 HydrophobicContact CD-SD 3.84Å; K644-M773 VanDerWaalsContact NZ-C 3.29Å; K644-M773 PolarHBondContact NZ-O 3.1Å; K644-Q775 PolarHBondContact NZ-O 3.46Å
645	T	98.8	Very high	98.7	Very high	46 Å²	46	47.1 Å²	47.1	28%	0.282	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-36.3	-179	53.6	0	0	0	0	112.4	L640 P641 E642 I648 Q649	L640-T645 HydrophobicContact CB-CG2 3.76Å; P641-T645 PolarHBondContact O-N 3.37Å; P641-T645 PolarHBondContact O-OG1 2.92Å; E642-T645 WeakPolarHBondContact CA-OG1 3.41Å; E642-T645 PolarHBondContact O-N 3.38Å; E642-T645 VanDerWaalsContact O-N 3.08Å; E642-T645 PolarHBondContact O-OG1 3.19Å; E642-T645 VanDerWaalsContact O-OG1 3.1Å; T645-I648 WeakPolarHBondContact O-CB 3.25Å; T645-I648 PolarHBondContact O-N 3.12Å; T645-Q649 VanDerWaalsContact O-CG 3.32Å; T645-Q649 WeakPolarHBondContact O-CG 3.38Å; T645-Q649 PolarHBondContact O-N 3.27Å
646	S	98.8	Very high	98.7	Very high	26 Å²	26	42.5 Å²	42.5	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-39	173.6	-60.7	0	0	0	0	112.2	E642 Q649 R650	E642-S646 VanDerWaalsContact O-CB 3.29Å; E642-S646 WeakPolarHBondContact O-CB 3.49Å; E642-S646 PolarHBondContact O-N 3.43Å; E642-S646 PolarHBondContact O-OG 2.91Å; E642-S646 VanDerWaalsContact O-OG 3.04Å; S646-Q649 PolarHBondContact O-N 3.35Å; S646-R650 WeakPolarHBondContact O-CG 3.24Å; S646-R650 PolarHBondContact O-N 3.39Å
647	A	98.8	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-45.8	171.3	0	0	0	0	0	111.4	W643 K644 Q649 R650 M651 D769 L772 M773	W643-A647 PolarHBondContact O-N 3.34Å; K644-A647 PolarHBondContact O-N 3Å; A647-Q649 PolarHBondContact O-N 2.99Å; A647-R650 PolarHBondContact O-N 3.49Å; A647-M651 VanDerWaalsContact O-CG 3.32Å; A647-M651 WeakPolarHBondContact O-CG 3.43Å; A647-M651 PolarHBondContact O-N 3.34Å; A647-D769 HydrophobicContact CB-CB 4.34Å; A647-L772 HydrophobicContact CB-CB 4.02Å; A647-L772 HydrophobicContact CB-CD1 4.13Å; A647-M773 HydrophobicContact CB-SD 4.35Å
648	I	98.9	Very high	98.7	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-54.3	-39.5	173.8	-70.1	164.7	0	0	0	110.8	L624 L627 K628 L640 K644 T645 M773	L624-I648 HydrophobicContact CD1-CB 4.37Å; L624-I648 HydrophobicContact CD1-CG1 4.38Å; L624-I648 HydrophobicContact CD1-CG2 4.06Å; L627-I648 HydrophobicContact CB-CD1 4.19Å; L627-I648 HydrophobicContact CB-CG1 4.47Å; L627-I648 HydrophobicContact CB-CG2 4.11Å; L627-I648 HydrophobicContact CD1-CD1 4.43Å; K628-I648 WeakPolarHBondContact CE-O 3.19Å; K628-I648 HydrophobicContact CG-CG2 3.74Å; K628-I648 WeakPolarHBondContact CG-O 3.49Å; K628-I648 PolarHBondContact NZ-O 3.34Å; L640-I648 HydrophobicContact CD1-CD1 4.1Å; K644-I648 HydrophobicContact CG-CD1 4.11Å; K644-I648 VanDerWaalsContact O-CG1 3.31Å; K644-I648 WeakPolarHBondContact O-CG1 3.48Å; K644-I648 PolarHBondContact O-N 3.14Å; T645-I648 WeakPolarHBondContact O-CB 3.25Å; T645-I648 PolarHBondContact O-N 3.12Å; I648-M773 HydrophobicContact CD1-CE 4.25Å; I648-M773 HydrophobicContact CD1-SD 4.4Å; I648-M773 HydrophobicContact CG1-CE 3.62Å; I648-M773 HydrophobicContact CG1-SD 3.49Å; I648-M773 WeakPolarHBondContact CG1-SD 3.29Å
649	Q	98.8	Very high	98.7	Very high	132 Å²	132	37 Å²	37	62%	0.617	19%	0.185	S	C	*	.	H	α-helix	trans	-72.2	-47.4	179.5	-73.3	173	12.7	0	0	112.6	K628 T645 S646 A647	K628-Q649 PolarHBondContact NZ-O 3.19Å; T645-Q649 VanDerWaalsContact O-CG 3.32Å; T645-Q649 WeakPolarHBondContact O-CG 3.38Å; T645-Q649 PolarHBondContact O-N 3.27Å; S646-Q649 PolarHBondContact O-N 3.35Å; A647-Q649 PolarHBondContact O-N 2.99Å
650	R	98.8	Very high	98.7	Very high	100 Å²	100	32 Å²	32	38%	0.377	15%	0.152	S	C	.	.	H	α-helix	trans	-64.9	-42.8	-177.9	-74.3	-169.9	-60.7	-92	2.1	113.7	S646 A647 G764 D769	S646-R650 WeakPolarHBondContact O-CG 3.24Å; S646-R650 PolarHBondContact O-N 3.39Å; A647-R650 PolarHBondContact O-N 3.49Å; R650-G764 WeakPolarHBondContact CD-O 3.26Å; R650-D769 IonicContact CZ-OD1 3.15Å; R650-D769 IonicContact CZ-OD2 3.69Å; R650-D769 IonicContact NE-OD1 3.28Å; R650-D769 PolarHBondContact NE-OD1 3.36Å; R650-D769 IonicContact NE-OD2 3.21Å; R650-D769 PolarHBondContact NE-OD2 3.48Å; R650-D769 VanDerWaalsContact NE-OD2 3.08Å; R650-D769 IonicContact NH2-OD1 2.8Å; R650-D769 PolarHBondContact NH2-OD1 3.45Å; R650-D769 IonicContact NH2-OD2 3.24Å
651	M	98.8	Very high	98.8	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	-59.9	143.9	-176.6	-70.1	-179	77.7	0	0	112.1	L624 K628 A647 D769 Y770 M773 H799	L624-M651 HydrophobicContact CD2-CB 3.69Å; L624-M651 HydrophobicContact CD2-CE 4.39Å; L624-M651 HydrophobicContact CD2-SD 4.44Å; K628-M651 WeakPolarHBondContact CE-O 3.26Å; K628-M651 PolarHBondContact NZ-O 3.35Å; A647-M651 VanDerWaalsContact O-CG 3.32Å; A647-M651 WeakPolarHBondContact O-CG 3.43Å; A647-M651 PolarHBondContact O-N 3.34Å; M651-D769 HydrophobicContact CG-CB 3.54Å; M651-D769 HydrophobicContact SD-CB 3.99Å; M651-Y770 HydrophobicContact CE-CD1 3.37Å; M651-Y770 HydrophobicContact CE-CD2 3.74Å; M651-Y770 HydrophobicContact CE-CE1 3.28Å; M651-Y770 HydrophobicContact CE-CE2 3.69Å; M651-Y770 HydrophobicContact CE-CG 3.59Å; M651-Y770 VanDerWaalsContact CE-CZ 3.47Å; M651-M773 HydrophobicContact CE-CG 4.42Å; M651-M773 HydrophobicContact SD-CB 4.44Å; M651-M773 HydrophobicContact SD-CG 3.33Å; M651-M773 WeakPolarHBondContact SD-CG 3.38Å; M651-M773 HydrophobicContact SD-SD 4.44Å; M651-H799 HydrophobicContact CE-CB 4.34Å
652	G	98.8	Very high	98.8	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	146.4	173.5	0	0	0	0	0	111.8	L624 S759 Y760	L624-G652 WeakPolarHBondContact CD2-O 3.47Å; G652-S759 WeakPolarHBondContact O-CA 3.46Å; G652-S759 WeakPolarHBondContact O-CB 3.25Å; G652-Y760 VanDerWaalsContact CA-CE1 3.42Å; G652-Y760 VanDerWaalsContact CA-CZ 3.4Å; G652-Y760 VanDerWaalsContact CA-O 3.28Å; G652-Y760 WeakPolarHBondContact CA-O 3.47Å; G652-Y760 PolarHBondContact N-O 3.24Å; G652-Y760 PolarHBondContact O-N 3.1Å; G652-Y760 VanDerWaalsContact O-N 3.15Å
653	F	98.9	Very high	98.8	Very high	9 Å²	9	21.9 Å²	21.9	4%	0.039	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	103.5	166.7	-161	-111.3	0	0	0	110	P623 L624 K628 R749 A754 R755 G756 Y760	P623-F653 HydrophobicContact CB-CZ 4.09Å; L624-F653 HydrophobicContact CB-CD2 3.61Å; L624-F653 HydrophobicContact CB-CE2 3.9Å; L624-F653 HydrophobicContact CB-CG 4.24Å; L624-F653 HydrophobicContact CD2-CB 4.13Å; L624-F653 HydrophobicContact CD2-CD2 3.99Å; L624-F653 HydrophobicContact CD2-CG 4.45Å; L624-F653 HydrophobicContact CG-CB 4.28Å; L624-F653 HydrophobicContact CG-CD2 4.06Å; L624-F653 HydrophobicContact CG-CG 4.37Å; K628-F653 HydrophobicContact CD-CB 4.13Å; F653-R749 VanDerWaalsContact O-CZ 3.29Å; F653-R749 PolarHBondContact O-NH1 3.29Å; F653-R749 PolarHBondContact O-NH2 3.42Å; F653-A754 VanDerWaalsContact CE1-O 3.23Å; F653-A754 WeakPolarHBondContact CE1-O 3.38Å; F653-R755 WeakPolarHBondContact CD1-O 3.5Å; F653-G756 VanDerWaalsContact CE1-CA 3.45Å; F653-Y760 VanDerWaalsContact N-CE1 3.29Å
654	G	98.6	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.			trans	-73.8	-177.8	-168.7	0	0	0	0	0	114.6	A538 R749 G756 S757 Y758	A538-G654 CarbonylContact O-C 3.47Å; A538-G654 WeakPolarHBondContact O-CA 3.3Å; G654-R749 VanDerWaalsContact C-NH2 3.35Å; G654-R749 PolarHBondContact O-NH1 3.4Å; G654-R749 PolarHBondContact O-NH2 2.93Å; G654-G756 CarbonylContact O-C 3.34Å; G654-G756 VanDerWaalsContact O-CA 3.26Å; G654-G756 WeakPolarHBondContact O-CA 3.38Å; G654-S757 PolarHBondContact O-N 3.1Å; G654-S757 PolarHBondContact O-OG 3.21Å; G654-Y758 PolarHBondContact N-O 2.95Å
655	N	98.8	Very high	98.7	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.048	13%	0.128	C	C	.	.			trans	-144.5	135.9	170.5	-161.7	33.6	0	0	0	110.6	A538 N657 A709 E713 R749 S757	A538-N655 CarbonylContact C-O 3.07Å; A538-N655 CarbonylContact O-C 3.55Å; A538-N655 PolarHBondContact O-N 3.48Å; A538-N655 VanDerWaalsContact O-O 3.11Å; N655-N657 PolarHBondContact ND2-ND2 3.01Å; N655-A709 HydrophobicContact CB-CB 4.42Å; N655-A709 PolarHBondContact ND2-O 3.43Å; N655-A709 WeakPolarHBondContact O-CB 3.41Å; N655-E713 PolarHBondContact ND2-OE1 2.88Å; N655-E713 PolarHBondContact OD1-OE1 3.44Å; N655-R749 PolarHBondContact OD1-N 3.34Å; N655-S757 VanDerWaalsContact CA-OG 3.22Å; N655-S757 WeakPolarHBondContact CA-OG 3.2Å; N655-S757 PolarHBondContact N-OG 3.44Å
656	L	98.2	Very high	98.6	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.073	14%	0.135	C	C	.	.			trans	-144.5	145.1	165.6	89.1	89.8	0	0	0	107.4	F535 A538 K658 W748 S757 Y758	F535-L656 HydrophobicContact CD2-CD1 4.44Å; F535-L656 HydrophobicContact CD2-CD2 4.34Å; F535-L656 HydrophobicContact CE2-CD1 4.25Å; F535-L656 HydrophobicContact CE2-CD2 4.23Å; A538-L656 HydrophobicContact CB-CB 4.01Å; A538-L656 HydrophobicContact CB-CD2 4Å; L656-K658 HydrophobicContact CD1-CG 4.19Å; L656-W748 VanDerWaalsContact O-CD1 3.28Å; L656-S757 PolarHBondContact N-OG 2.88Å; L656-Y758 HydrophobicContact CD2-CE1 3.46Å; L656-Y758 VanDerWaalsContact CD2-CE1 3.46Å; L656-Y758 VanDerWaalsContact CD2-OH 3.32Å; L656-Y758 WeakPolarHBondContact CD2-OH 3.46Å
657	N	98.8	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.5	179.5	-76.7	-53.8	0	0	0	112.3	N655 M704 A709 E713 T746 R747 W748	N655-N657 PolarHBondContact ND2-ND2 3.01Å; N657-M704 HydrophobicContact CB-CB 4.36Å; N657-M704 HydrophobicContact CB-CE 3.62Å; N657-M704 PolarHBondContact N-O 3.41Å; N657-M704 PolarHBondContact O-N 3.05Å; N657-A709 PolarHBondContact ND2-O 3.08Å; N657-A709 VanDerWaalsContact ND2-O 3.13Å; N657-E713 WeakPolarHBondContact ND2-CG 3.37Å; N657-E713 PolarHBondContact ND2-OE1 3Å; N657-T746 WeakPolarHBondContact CA-OG1 3.37Å; N657-T746 WeakPolarHBondContact CB-O 3.39Å; N657-T746 WeakPolarHBondContact CB-OG1 3.23Å; N657-T746 PolarHBondContact OD1-O 3.08Å; N657-T746 PolarHBondContact OD1-OG1 3.46Å; N657-R747 WeakPolarHBondContact OD1-CA 3.31Å; N657-R747 PolarHBondContact OD1-N 3.49Å; N657-W748 PolarHBondContact OD1-N 2.94Å
658	K	98.8	Very high	98.5	Very high	9 Å²	9	29.4 Å²	29.4	4%	0.039	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.3	-176.5	-58.2	-175.6	176	-169.4	0	110.1	D319 G321 M323 L656 L701 A702 L703 T746	D319-K658 WeakPolarHBondContact O-CD 3.26Å; D319-K658 PolarHBondContact O-NZ 2.84Å; G321-K658 WeakPolarHBondContact O-CE 3.46Å; G321-K658 PolarHBondContact O-NZ 3.32Å; M323-K658 PolarHBondContact SD-NZ 2.73Å; L656-K658 HydrophobicContact CD1-CG 4.19Å; K658-L701 HydrophobicContact CB-CD2 3.93Å; K658-L701 HydrophobicContact CB-CG 4.32Å; K658-L701 HydrophobicContact CD-CD1 4.04Å; K658-L701 HydrophobicContact CD-CD2 3.87Å; K658-L701 HydrophobicContact CD-CG 4.41Å; K658-L701 HydrophobicContact CG-CD2 3.95Å; K658-A702 CarbonylContact C-O 3.35Å; K658-A702 WeakPolarHBondContact CA-O 3.48Å; K658-L703 HydrophobicContact CD-CD2 4.46Å; K658-L703 HydrophobicContact CG-CD2 3.84Å; K658-T746 HydrophobicContact CB-CG2 4.17Å; K658-T746 PolarHBondContact N-OG1 2.92Å; K658-T746 PolarHBondContact O-N 3.26Å
659	V	98.9	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.2	171.7	-172.7	0	0	0	0	108.1	L661 L688 L701 A702 M704 I720 V721 V744 V745	V659-L661 HydrophobicContact CG1-CD2 3.92Å; V659-L661 HydrophobicContact CG1-CG 4.23Å; V659-L688 HydrophobicContact CG2-CD2 4.08Å; V659-L701 CarbonylContact O-C 3.58Å; V659-L701 WeakPolarHBondContact O-CA 2.99Å; V659-A702 HydrophobicContact CB-CB 4.19Å; V659-A702 PolarHBondContact N-O 3.08Å; V659-A702 PolarHBondContact O-N 2.91Å; V659-M704 HydrophobicContact CG2-CE 3.65Å; V659-M704 HydrophobicContact CG2-SD 4.27Å; V659-I720 HydrophobicContact CG1-CG2 4.47Å; V659-I720 HydrophobicContact CG2-CG2 3.61Å; V659-V721 HydrophobicContact CG1-CG2 4.42Å; V659-V744 CarbonylContact C-O 3.52Å; V659-V744 WeakPolarHBondContact CA-O 3.34Å; V659-V745 HydrophobicContact CG1-CG2 3.96Å; V659-V745 HydrophobicContact CG2-CG1 4.37Å; V659-V745 HydrophobicContact CG2-CG2 4.28Å
660	V	98.9	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.1	174.3	-178.8	0	0	0	0	108.5	A318 L320 I699 L701 T743 V744	A318-V660 HydrophobicContact CB-CB 4.39Å; A318-V660 HydrophobicContact CB-CG1 3.6Å; A318-V660 HydrophobicContact CB-CG2 3.8Å; L320-V660 HydrophobicContact CD2-CG2 3.6Å; V660-I699 HydrophobicContact CG1-CG2 3.81Å; V660-L701 HydrophobicContact CG2-CD1 4.33Å; V660-T743 VanDerWaalsContact O-CA 3.27Å; V660-T743 WeakPolarHBondContact O-CA 3.44Å; V660-V744 HydrophobicContact CB-CB 4.19Å; V660-V744 HydrophobicContact CG2-CB 4.5Å; V660-V744 PolarHBondContact N-O 3.39Å; V660-V744 PolarHBondContact O-N 3.04Å; V660-V744 VanDerWaalsContact O-N 3.08Å
661	L	98.9	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.6	177.9	-57.5	170.4	0	0	0	108.7	V659 F663 I699 L700 V721 C724 L728 T743	V659-L661 HydrophobicContact CG1-CD2 3.92Å; V659-L661 HydrophobicContact CG1-CG 4.23Å; L661-F663 HydrophobicContact CB-CD2 4.48Å; L661-F663 HydrophobicContact CB-CE2 3.59Å; L661-F663 HydrophobicContact CB-CZ 3.8Å; L661-F663 HydrophobicContact CD1-CZ 4.34Å; L661-I699 WeakPolarHBondContact O-CA 3.27Å; L661-L700 PolarHBondContact N-O 3.04Å; L661-L700 PolarHBondContact O-N 2.95Å; L661-V721 HydrophobicContact CD2-CG1 4.1Å; L661-V721 HydrophobicContact CD2-CG2 4.15Å; L661-C724 HydrophobicContact CD1-CB 3.74Å; L661-L728 HydrophobicContact CD1-CD1 4.02Å; L661-T743 HydrophobicContact CD2-CG2 3.91Å
662	C	98.8	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.9	179.1	-56.4	0	0	0	0	110.3	Y316 P740 K741 E742	Y316-C662 HydrophobicContact CD1-CB 3.84Å; Y316-C662 HydrophobicContact CD2-CB 3.74Å; Y316-C662 HydrophobicContact CE1-CB 3.78Å; Y316-C662 HydrophobicContact CE2-CB 3.69Å; Y316-C662 HydrophobicContact CG-CB 3.83Å; C662-P740 CarbonylContact O-C 3.6Å; C662-P740 VanDerWaalsContact O-CA 3.24Å; C662-P740 WeakPolarHBondContact O-CA 3.32Å; C662-P740 WeakPolarHBondContact O-CB 3.45Å; C662-K741 PolarHBondContact O-N 3.39Å; C662-E742 HydrophobicContact CB-CB 3.89Å; C662-E742 PolarHBondContact N-O 2.84Å
663	F	98.7	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.			trans	-110.6	172	-179.5	-59.7	-79.7	0	0	0	111.5	Y316 L661 F667 W668 P698 L700 L725 L728 P738 P740	Y316-F663 PolarHBondContact OH-O 3.3Å; L661-F663 HydrophobicContact CB-CD2 4.48Å; L661-F663 HydrophobicContact CB-CE2 3.59Å; L661-F663 HydrophobicContact CB-CZ 3.8Å; L661-F663 HydrophobicContact CD1-CZ 4.34Å; F663-F667 AromaticContact CD1-CE1 3.93Å; F663-F667 HydrophobicContact CD1-CE1 3.93Å; F663-F667 AromaticContact CD2-CE1 3.82Å; F663-F667 HydrophobicContact CD2-CE1 3.82Å; F663-F667 HydrophobicContact CD2-CZ 4.45Å; F663-F667 AromaticContact CE1-CE1 3.91Å; F663-F667 HydrophobicContact CE1-CE1 3.91Å; F663-F667 HydrophobicContact CE1-CZ 4.34Å; F663-F667 AromaticContact CE2-CE1 3.8Å; F663-F667 HydrophobicContact CE2-CE1 3.8Å; F663-F667 HydrophobicContact CE2-CZ 4Å; F663-F667 AromaticContact CG-CE1 3.86Å; F663-F667 HydrophobicContact CG-CE1 3.86Å; F663-F667 AromaticContact CZ-CE1 3.84Å; F663-F667 HydrophobicContact CZ-CE1 3.84Å; F663-F667 AromaticContact CZ-CZ 3.93Å; F663-F667 HydrophobicContact CZ-CZ 3.93Å; F663-W668 AromaticContact CD2-CH2 3.97Å; F663-W668 HydrophobicContact CD2-CH2 3.97Å; F663-W668 AromaticContact CD2-CZ3 3.69Å; F663-W668 HydrophobicContact CD2-CZ3 3.69Å; F663-W668 HydrophobicContact CE2-CZ3 4.15Å; F663-W668 HydrophobicContact CG-CZ3 4.45Å; F663-P698 HydrophobicContact CB-CB 4.4Å; F663-P698 PolarHBondContact N-O 3.07Å; F663-P698 WeakPolarHBondContact O-CG 3.38Å; F663-L700 HydrophobicContact CE2-CB 4.29Å; F663-L700 HydrophobicContact CE2-CD1 4.25Å; F663-L700 HydrophobicContact CE2-CG 4.41Å; F663-L725 HydrophobicContact CE1-CD2 4.15Å; F663-L725 HydrophobicContact CZ-CD2 4.25Å; F663-L728 HydrophobicContact CZ-CD1 4.42Å; F663-P738 HydrophobicContact CD1-CG 3.92Å; F663-P738 WeakPolarHBondContact CE1-O 3.37Å; F663-P740 HydrophobicContact CD1-CB 4.16Å; F663-P740 HydrophobicContact CE1-CB 3.91Å; F663-P740 HydrophobicContact CZ-CB 4.43Å
664	D	97.4	Very high	97.8	Very high	83 Å²	83	31 Å²	31	44%	0.444	17%	0.166	S	C	.	.	S	Bend	trans	-88.8	-18.7	171.9	48.1	9.6	0	0	0	113.1	K741	D664-K741 HydrophobicContact CB-CG 4.45Å; D664-K741 VanDerWaalsContact CG-CE 3.45Å; D664-K741 WeakPolarHBondContact OD2-CE 3.47Å; D664-K741 IonicContact OD2-NZ 2.66Å; D664-K741 PolarHBondContact OD2-NZ 2.82Å
665	R	97.9	Very high	97.8	Very high	132 Å²	132	31.2 Å²	31.2	50%	0.498	17%	0.167	S	C	.	.	S	Bend	trans	-145.1	155	179.2	67.5	-173.2	-174.1	-153.5	1.1	111.6	A736 P738	R665-A736 PolarHBondContact NH2-O 2.99Å; R665-P738 HydrophobicContact CG-CG 4.43Å
666	V	98.5	Very high	97.8	Very high	71 Å²	71	30.8 Å²	30.8	43%	0.43	17%	0.165	S	C	.	.			trans	-79.7	131.7	170.3	178	0	0	0	0	109	W668 P670 P698	V666-W668 HydrophobicContact CB-CZ2 4.45Å; V666-W668 HydrophobicContact CG1-CD2 3.87Å; V666-W668 HydrophobicContact CG1-CE3 4.44Å; V666-W668 HydrophobicContact CG1-CG 4.1Å; V666-W668 HydrophobicContact CG1-CZ2 4.17Å; V666-W668 WeakPolarHBondContact CG1-O 3.24Å; V666-W668 HydrophobicContact CG2-CH2 4.48Å; V666-W668 HydrophobicContact CG2-CZ2 4.07Å; V666-P670 HydrophobicContact CG1-CG 4.12Å; V666-P698 HydrophobicContact CG2-CB 3.82Å
667	F	97.9	Very high	97.7	Very high	31 Å²	31	31.1 Å²	31.1	14%	0.136	17%	0.166	C	C	.	.			trans	-127.5	0.2	175.3	62.1	-97.1	0	0	0	113.4	F663 L700 L728 F732 V737 P738	F663-F667 AromaticContact CD1-CE1 3.93Å; F663-F667 HydrophobicContact CD1-CE1 3.93Å; F663-F667 AromaticContact CD2-CE1 3.82Å; F663-F667 HydrophobicContact CD2-CE1 3.82Å; F663-F667 HydrophobicContact CD2-CZ 4.45Å; F663-F667 AromaticContact CE1-CE1 3.91Å; F663-F667 HydrophobicContact CE1-CE1 3.91Å; F663-F667 HydrophobicContact CE1-CZ 4.34Å; F663-F667 AromaticContact CE2-CE1 3.8Å; F663-F667 HydrophobicContact CE2-CE1 3.8Å; F663-F667 HydrophobicContact CE2-CZ 4Å; F663-F667 AromaticContact CG-CE1 3.86Å; F663-F667 HydrophobicContact CG-CE1 3.86Å; F663-F667 AromaticContact CZ-CE1 3.84Å; F663-F667 HydrophobicContact CZ-CE1 3.84Å; F663-F667 AromaticContact CZ-CZ 3.93Å; F663-F667 HydrophobicContact CZ-CZ 3.93Å; F667-L700 HydrophobicContact CE2-CD1 4.33Å; F667-L700 HydrophobicContact CZ-CD1 3.95Å; F667-L728 HydrophobicContact CE2-CB 4.48Å; F667-L728 HydrophobicContact CZ-CD1 4.26Å; F667-F732 HydrophobicContact CD2-CB 4.12Å; F667-F732 AromaticContact CD2-CD2 4Å; F667-F732 HydrophobicContact CD2-CD2 4Å; F667-F732 HydrophobicContact CD2-CG 4.04Å; F667-F732 AromaticContact CE2-CD2 3.76Å; F667-F732 HydrophobicContact CE2-CD2 3.76Å; F667-F732 HydrophobicContact CE2-CE2 4.3Å; F667-F732 HydrophobicContact CE2-CG 4.27Å; F667-V737 HydrophobicContact CD2-CG2 4.03Å; F667-V737 HydrophobicContact CE1-CG1 4.34Å; F667-V737 HydrophobicContact CE2-CB 4.41Å; F667-V737 HydrophobicContact CE2-CG1 4.22Å; F667-V737 HydrophobicContact CE2-CG2 3.77Å; F667-V737 HydrophobicContact CZ-CB 4.48Å; F667-V737 HydrophobicContact CZ-CG1 3.89Å; F667-V737 HydrophobicContact CZ-CG2 4.29Å; F667-P738 HydrophobicContact CD1-CG 4.33Å
668	W	97.5	Very high	97.7	Very high	13 Å²	13	31.2 Å²	31.2	5%	0.049	17%	0.167	C	C	.	.	S	Bend	trans	-100.1	174.1	173.9	55	89.8	0	0	0	110.4	F663 V666 P670 N693 P698 L700 F732	F663-W668 AromaticContact CD2-CH2 3.97Å; F663-W668 HydrophobicContact CD2-CH2 3.97Å; F663-W668 AromaticContact CD2-CZ3 3.69Å; F663-W668 HydrophobicContact CD2-CZ3 3.69Å; F663-W668 HydrophobicContact CE2-CZ3 4.15Å; F663-W668 HydrophobicContact CG-CZ3 4.45Å; V666-W668 HydrophobicContact CB-CZ2 4.45Å; V666-W668 HydrophobicContact CG1-CD2 3.87Å; V666-W668 HydrophobicContact CG1-CE3 4.44Å; V666-W668 HydrophobicContact CG1-CG 4.1Å; V666-W668 HydrophobicContact CG1-CZ2 4.17Å; V666-W668 WeakPolarHBondContact CG1-O 3.24Å; V666-W668 HydrophobicContact CG2-CH2 4.48Å; V666-W668 HydrophobicContact CG2-CZ2 4.07Å; W668-P670 VanDerWaalsContact O-CD 3.23Å; W668-P670 WeakPolarHBondContact O-CD 3.31Å; W668-N693 PolarHBondContact NE1-ND2 3.09Å; W668-N693 PolarHBondContact NE1-OD1 3.37Å; W668-P698 HydrophobicContact CH2-CB 3.93Å; W668-P698 HydrophobicContact CZ2-CB 4.4Å; W668-L700 HydrophobicContact CD2-CD1 4.1Å; W668-L700 HydrophobicContact CD2-CD2 3.8Å; W668-L700 HydrophobicContact CD2-CG 3.93Å; W668-L700 HydrophobicContact CE3-CD1 3.6Å; W668-L700 HydrophobicContact CE3-CD2 4.13Å; W668-L700 HydrophobicContact CE3-CG 3.72Å; W668-L700 HydrophobicContact CG-CD2 4.14Å; W668-L700 HydrophobicContact CH2-CG 3.93Å; W668-L700 HydrophobicContact CZ2-CD2 4.24Å; W668-L700 HydrophobicContact CZ2-CG 4.13Å; W668-L700 HydrophobicContact CZ3-CD1 3.88Å; W668-L700 HydrophobicContact CZ3-CD2 4.48Å; W668-L700 HydrophobicContact CZ3-CG 3.73Å; W668-F732 HydrophobicContact CB-CE1 3.92Å; W668-F732 HydrophobicContact CB-CE2 4.25Å; W668-F732 HydrophobicContact CB-CZ 3.68Å
669	D	95.6	Very high	97.4	Very high	79 Å²	79	31.1 Å²	31.1	42%	0.422	17%	0.168	S	C	.	.			trans	-70.2	114.8	173.8	-173.5	-19.9	0	0	0	110.6	S671 V672	D669-S671 VanDerWaalsContact CG-OG 3.26Å; D669-S671 PolarHBondContact O-N 2.89Å; D669-S671 WeakPolarHBondContact OD1-CB 3.35Å; D669-S671 PolarHBondContact OD1-N 3.17Å; D669-S671 PolarHBondContact OD1-OG 3.43Å; D669-S671 PolarHBondContact OD2-OG 2.92Å; D669-V672 HydrophobicContact CB-CB 4.2Å; D669-V672 HydrophobicContact CB-CG2 4Å; D669-V672 PolarHBondContact O-N 3.19Å
670	P	95.6	Very high	97.1	Very high	95 Å²	95	34.5 Å²	34.5	62%	0.617	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.6	-179.2	-17.1	31.5	0	0	0	114	V666 W668	V666-P670 HydrophobicContact CG1-CG 4.12Å; W668-P670 VanDerWaalsContact O-CD 3.23Å; W668-P670 WeakPolarHBondContact O-CD 3.31Å
671	S	95.1	Very high	97	Very high	70 Å²	70	37.9 Å²	37.9	49%	0.49	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.9	179.7	75	0	0	0	0	113.2	D669	D669-S671 VanDerWaalsContact CG-OG 3.26Å; D669-S671 PolarHBondContact O-N 2.89Å; D669-S671 WeakPolarHBondContact OD1-CB 3.35Å; D669-S671 PolarHBondContact OD1-N 3.17Å; D669-S671 PolarHBondContact OD1-OG 3.43Å; D669-S671 PolarHBondContact OD2-OG 2.92Å
672	V	95.4	Very high	96.9	Very high	12 Å²	12	40.9 Å²	40.9	7%	0.073	23%	0.231	C	C	.	.			trans	-97.4	121.1	179.4	176	0	0	0	0	109.3	P352 D669 L674 N693	P352-V672 HydrophobicContact CG-CG1 4.16Å; D669-V672 HydrophobicContact CB-CB 4.2Å; D669-V672 HydrophobicContact CB-CG2 4Å; D669-V672 PolarHBondContact O-N 3.19Å; V672-L674 WeakPolarHBondContact CG1-O 3.41Å; V672-N693 PolarHBondContact O-ND2 2.91Å; V672-N693 VanDerWaalsContact O-ND2 3.11Å
673	N	98	Very high	96.8	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.08	26%	0.263	C	S	.	.	S	Bend	trans	-83.1	-26.7	179.8	-71.2	145.5	0	0	0	113.4	I347 K348 W692 N693 L694	I347-N673 HydrophobicContact CG2-CB 4.35Å; K348-N673 WeakPolarHBondContact CB-OD1 3.25Å; K348-N673 PolarHBondContact N-OD1 3Å; N673-W692 CarbonylContact O-C 3.25Å; N673-W692 WeakPolarHBondContact O-CA 3.49Å; N673-N693 PolarHBondContact ND2-O 2.74Å; N673-N693 PolarHBondContact O-N 3.22Å; N673-L694 HydrophobicContact CB-CD2 4.04Å
674	L	97.8	Very high	96.7	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.7	178.6	56.9	150.7	0	0	0	111.7	I347 K348 C351 P352 V672 L690 F691	I347-L674 HydrophobicContact CG2-CD2 3.84Å; K348-L674 WeakPolarHBondContact O-CD2 3.34Å; C351-L674 HydrophobicContact CB-CD1 3.56Å; C351-L674 HydrophobicContact CB-CG 3.83Å; P352-L674 WeakPolarHBondContact CD-O 3.31Å; V672-L674 WeakPolarHBondContact CG1-O 3.41Å; L674-L690 HydrophobicContact CB-CD1 4.08Å; L674-L690 HydrophobicContact CD1-CD1 4.14Å; L674-F691 CarbonylContact C-O 3.53Å; L674-F691 WeakPolarHBondContact CA-O 3.31Å
675	F	98.4	Very high	96.7	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.8	171.9	59.7	-90	0	0	0	111	P352 Y354 L690 F691 L700 L728 I731 F732	P352-F675 HydrophobicContact CG-CB 3.98Å; P352-F675 WeakPolarHBondContact O-CA 3.22Å; Y354-F675 HydrophobicContact CD2-CB 4.45Å; Y354-F675 HydrophobicContact CD2-CD2 4.37Å; Y354-F675 HydrophobicContact CE2-CB 4.04Å; Y354-F675 HydrophobicContact CE2-CD2 4.39Å; Y354-F675 HydrophobicContact CE2-CG 4.49Å; F675-L690 WeakPolarHBondContact O-CD1 3.48Å; F675-F691 HydrophobicContact CD1-CB 4.19Å; F675-F691 HydrophobicContact CD2-CB 4.01Å; F675-F691 HydrophobicContact CD2-CD2 4.27Å; F675-F691 HydrophobicContact CD2-CG 4.42Å; F675-F691 HydrophobicContact CE1-CB 3.71Å; F675-F691 HydrophobicContact CE2-CB 3.51Å; F675-F691 HydrophobicContact CE2-CD1 4.46Å; F675-F691 AromaticContact CE2-CD2 3.72Å; F675-F691 HydrophobicContact CE2-CD2 3.72Å; F675-F691 AromaticContact CE2-CG 3.66Å; F675-F691 HydrophobicContact CE2-CG 3.66Å; F675-F691 HydrophobicContact CG-CB 4.33Å; F675-F691 HydrophobicContact CZ-CB 3.34Å; F675-F691 HydrophobicContact CZ-CD1 4.29Å; F675-F691 HydrophobicContact CZ-CD2 4.31Å; F675-F691 AromaticContact CZ-CG 3.75Å; F675-F691 HydrophobicContact CZ-CG 3.75Å; F675-F691 PolarHBondContact N-O 3.37Å; F675-F691 PolarHBondContact O-N 3.09Å; F675-L700 HydrophobicContact CE1-CD2 4.02Å; F675-L700 HydrophobicContact CZ-CD1 4.34Å; F675-L700 HydrophobicContact CZ-CD2 4.34Å; F675-L728 HydrophobicContact CE2-CD2 4.02Å; F675-L728 HydrophobicContact CZ-CD2 3.8Å; F675-I731 HydrophobicContact CD2-CD1 4.21Å; F675-I731 HydrophobicContact CE2-CD1 4.02Å; F675-F732 HydrophobicContact CE1-CE2 4.36Å; F675-F732 HydrophobicContact CE1-CZ 4.11Å; F675-F732 AromaticContact CE2-CE2 3.98Å; F675-F732 HydrophobicContact CE2-CE2 3.98Å; F675-F732 HydrophobicContact CE2-CZ 4.19Å; F675-F732 AromaticContact CZ-CE2 3.7Å; F675-F732 HydrophobicContact CZ-CE2 3.7Å; F675-F732 AromaticContact CZ-CZ 3.87Å; F675-F732 HydrophobicContact CZ-CZ 3.87Å
676	G	97.8	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.4	-175	0	0	0	0	0	113.4	P352 Y354 F689	P352-G676 PolarHBondContact O-N 3.1Å; Y354-G676 PolarHBondContact N-O 3.29Å; G676-F689 CarbonylContact C-O 3.48Å; G676-F689 WeakPolarHBondContact CA-O 3.48Å
677	H	97.6	Very high	96.8	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.3	167.2	166.2	-106.9	0	0	0	108.8	Y354 G679 F689 F691 I727	Y354-H677 WeakPolarHBondContact O-CA 3.42Å; H677-G679 PolarHBondContact O-N 3.01Å; H677-F689 PolarHBondContact N-O 3.39Å; H677-F689 WeakPolarHBondContact O-CA 3.35Å; H677-F691 HydrophobicContact CB-CE2 4.35Å; H677-I727 HydrophobicContact CB-CG2 3.92Å
678	V	97.5	Very high	96.8	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.2	-179.9	-176	0	0	0	0	109.2	L353 Y354 E355 V367 Q524 I525 W528	L353-V678 HydrophobicContact CB-CG2 4.21Å; Y354-V678 PolarHBondContact O-N 3.49Å; E355-V678 HydrophobicContact CG-CB 4.44Å; E355-V678 HydrophobicContact CG-CG2 4.42Å; V367-V678 HydrophobicContact CG2-CG2 4.34Å; Q524-V678 HydrophobicContact CB-CG1 3.87Å; Q524-V678 VanDerWaalsContact O-CG1 3.31Å; Q524-V678 WeakPolarHBondContact O-CG1 3.38Å; I525-V678 HydrophobicContact CG1-CG1 4.42Å; W528-V678 HydrophobicContact CB-CG2 4.4Å
679	G	93.2	Very high	96.8	Very high	7 Å²	7	34.2 Å²	34.2	7%	0.072	22%	0.215	C	C	.	.			trans	-66	148.1	179.4	0	0	0	0	0	112.7	H677 T681	H677-G679 PolarHBondContact O-N 3.01Å; G679-T681 VanDerWaalsContact C-N 3.29Å; G679-T681 PolarHBondContact O-N 2.87Å
680	S	92.3	Very high	97	Very high	70 Å²	70	30.5 Å²	30.5	49%	0.49	20%	0.196	S	C	.	.	S	Bend	trans	-72.3	-20.9	-177.5	-47.4	0	0	0	0	114	A356 Q524	A356-S680 WeakPolarHBondContact CB-OG 3.46Å; Q524-S680 PolarHBondContact NE2-O 3.43Å
681	T	96.4	Very high	97.1	Very high	71 Å²	71	26 Å²	26	44%	0.436	17%	0.166	S	C	.	.	S	Bend	trans	-138.4	152.5	-177.5	73.1	0	0	0	0	111.6	G679 A683 S684 R685	G679-T681 VanDerWaalsContact C-N 3.29Å; G679-T681 PolarHBondContact O-N 2.87Å; T681-A683 PolarHBondContact O-N 2.88Å; T681-S684 CarbonylContact O-C 3.52Å; T681-S684 PolarHBondContact O-N 3.27Å; T681-S684 VanDerWaalsContact O-N 3.16Å; T681-S684 PolarHBondContact O-OG 3.13Å; T681-S684 PolarHBondContact OG1-N 3.47Å; T681-S684 PolarHBondContact OG1-OG 3.13Å; T681-R685 PolarHBondContact O-N 3.06Å; T681-R685 VanDerWaalsContact O-N 3.12Å
682	T	97.4	Very high	97.3	Very high	64 Å²	64	23.7 Å²	23.7	39%	0.393	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-56.7	-37.7	173.5	-49.8	0	0	0	0	112.2	D527 S684 R685	D527-T682 WeakPolarHBondContact OD2-CA 3.44Å; D527-T682 WeakPolarHBondContact OD2-CB 3.45Å; D527-T682 PolarHBondContact OD2-OG1 3.06Å; T682-S684 VanDerWaalsContact C-N 3.32Å; T682-S684 PolarHBondContact O-N 3.3Å; T682-R685 WeakPolarHBondContact O-CB 3.2Å; T682-R685 WeakPolarHBondContact O-CD 3.35Å; T682-R685 WeakPolarHBondContact O-CG 3.43Å; T682-R685 PolarHBondContact O-N 3.23Å
683	A	96.6	Very high	97.4	Very high	80 Å²	80	23.8 Å²	23.8	66%	0.661	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-66.8	-32.8	-179.9	0	0	0	0	0	112.9	T681	T681-A683 PolarHBondContact O-N 2.88Å
684	S	96.8	Very high	97.3	Very high	30 Å²	30	23.2 Å²	23.2	21%	0.21	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-100	12.2	179.8	69	0	0	0	0	113.1	T681 T682 G686 E687	T681-S684 CarbonylContact O-C 3.52Å; T681-S684 PolarHBondContact O-N 3.27Å; T681-S684 VanDerWaalsContact O-N 3.16Å; T681-S684 PolarHBondContact O-OG 3.13Å; T681-S684 PolarHBondContact OG1-N 3.47Å; T681-S684 PolarHBondContact OG1-OG 3.13Å; T682-S684 VanDerWaalsContact C-N 3.32Å; T682-S684 PolarHBondContact O-N 3.3Å; S684-G686 PolarHBondContact O-N 3.44Å; S684-E687 WeakPolarHBondContact O-CB 3.35Å; S684-E687 PolarHBondContact O-N 2.96Å
685	R	98.3	Very high	97.2	Very high	33 Å²	33	23.1 Å²	23.1	13%	0.125	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	-172	70	-174.4	-178.4	-172.2	-1.8	114.1	D527 F530 A531 E534 T681 T682 F689	D527-R685 HydrophobicContact CB-CB 4.05Å; D527-R685 WeakPolarHBondContact O-CD 3.39Å; D527-R685 IonicContact OD1-NH1 3.24Å; D527-R685 PolarHBondContact OD1-NH1 3.07Å; F530-R685 VanDerWaalsContact CB-NH1 3.27Å; A531-R685 HydrophobicContact CB-CB 4.16Å; A531-R685 HydrophobicContact CB-CG 3.92Å; A531-R685 VanDerWaalsContact CB-O 3.25Å; A531-R685 WeakPolarHBondContact CB-O 3.23Å; E534-R685 IonicContact OE1-CZ 2.82Å; E534-R685 IonicContact OE1-NE 3.8Å; E534-R685 IonicContact OE1-NH2 3.59Å; E534-R685 PolarHBondContact OE1-NH2 3.31Å; E534-R685 IonicContact OE2-CZ 3.47Å; E534-R685 IonicContact OE2-NE 3.5Å; E534-R685 PolarHBondContact OE2-NE 2.86Å; E534-R685 IonicContact OE2-NH2 2.65Å; T681-R685 PolarHBondContact O-N 3.06Å; T681-R685 VanDerWaalsContact O-N 3.12Å; T682-R685 WeakPolarHBondContact O-CB 3.2Å; T682-R685 WeakPolarHBondContact O-CD 3.35Å; T682-R685 WeakPolarHBondContact O-CG 3.43Å; T682-R685 PolarHBondContact O-N 3.23Å; R685-F689 WeakPolarHBondContact O-CB 3.47Å
686	G	98.4	Very high	97	Very high	3 Å²	3	30 Å²	30	3%	0.031	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.1	177.5	0	0	0	0	0	114.8	S684 L688 M704 A705	S684-G686 PolarHBondContact O-N 3.44Å; G686-L688 PolarHBondContact O-N 3.18Å; G686-M704 WeakPolarHBondContact O-CA 3.28Å; G686-A705 PolarHBondContact O-N 3.35Å
687	E	98.4	Very high	96.9	Very high	43 Å²	43	30.9 Å²	30.9	20%	0.201	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	107.9	-179.5	-172.7	-176.4	150.4	0	0	110.7	S684 F689 A708 M712 R723	S684-E687 WeakPolarHBondContact O-CB 3.35Å; S684-E687 PolarHBondContact O-N 2.96Å; E687-F689 PolarHBondContact O-N 3.29Å; E687-F689 VanDerWaalsContact O-N 3.14Å; E687-A708 HydrophobicContact CB-CB 3.94Å; E687-M712 HydrophobicContact CG-CE 4.04Å; E687-M712 HydrophobicContact CG-CG 4.49Å; E687-M712 HydrophobicContact CG-SD 4.11Å; E687-R723 VanDerWaalsContact CD-NH1 3.28Å; E687-R723 WeakPolarHBondContact OE1-CD 3.31Å; E687-R723 IonicContact OE1-CZ 2.68Å; E687-R723 IonicContact OE1-NE 3.14Å; E687-R723 IonicContact OE1-NH1 3.54Å; E687-R723 PolarHBondContact OE1-NH1 3.29Å; E687-R723 IonicContact OE2-NH1 2.84Å; E687-R723 PolarHBondContact OE2-NH1 3.48Å
688	L	98.3	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	34.8	175.5	-53.8	176.5	0	0	0	112.6	V659 G686 L690 F691 A702 L703 M704 R723 C724 I727	V659-L688 HydrophobicContact CG2-CD2 4.08Å; G686-L688 PolarHBondContact O-N 3.18Å; L688-L690 VanDerWaalsContact C-N 3.33Å; L688-L690 PolarHBondContact O-N 3.23Å; L688-F691 VanDerWaalsContact O-CE2 3.28Å; L688-F691 WeakPolarHBondContact O-CE2 3.45Å; L688-A702 HydrophobicContact CD2-CB 3.95Å; L688-L703 WeakPolarHBondContact CA-O 3.45Å; L688-L703 PolarHBondContact N-O 2.97Å; L688-L703 VanDerWaalsContact N-O 3.14Å; L688-M704 HydrophobicContact CD2-CG 3.79Å; L688-M704 HydrophobicContact CD2-SD 4.11Å; L688-M704 HydrophobicContact CG-CG 4.48Å; L688-R723 HydrophobicContact CD1-CB 3.7Å; L688-C724 HydrophobicContact CD1-CB 4.49Å; L688-C724 VanDerWaalsContact CD2-SG 3.57Å; L688-I727 HydrophobicContact CB-CD1 3.71Å; L688-I727 HydrophobicContact CD1-CD1 3.96Å; L688-I727 HydrophobicContact CG-CD1 4.5Å
689	F	98.6	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-17.2	-168.9	85.5	-74.3	0	0	0	113.7	W528 A531 N532 F535 G676 H677 R685 E687 L703 A705	W528-F689 AromaticContact CD1-CD2 3.81Å; W528-F689 AromaticContact CE2-CD2 3.97Å; W528-F689 HydrophobicContact CG-CD2 4.46Å; W528-F689 HydrophobicContact CZ2-CE2 4.46Å; W528-F689 AromaticContact NE1-CD2 3.48Å; W528-F689 PolarHBondContact NE1-O 2.88Å; A531-F689 HydrophobicContact CB-CD2 3.83Å; A531-F689 HydrophobicContact CB-CE2 4.24Å; A531-F689 HydrophobicContact CB-CG 4.06Å; N532-F689 HydrophobicContact CB-CE2 3.91Å; F535-F689 HydrophobicContact CB-CE1 3.94Å; F535-F689 HydrophobicContact CB-CZ 3.6Å; F535-F689 HydrophobicContact CD1-CZ 4.41Å; F535-F689 HydrophobicContact CG-CE1 4.42Å; F535-F689 HydrophobicContact CG-CZ 4.05Å; G676-F689 CarbonylContact C-O 3.48Å; G676-F689 WeakPolarHBondContact CA-O 3.48Å; H677-F689 PolarHBondContact N-O 3.39Å; H677-F689 WeakPolarHBondContact O-CA 3.35Å; R685-F689 WeakPolarHBondContact O-CB 3.47Å; E687-F689 PolarHBondContact O-N 3.29Å; E687-F689 VanDerWaalsContact O-N 3.14Å; F689-L703 HydrophobicContact CD1-CB 4.38Å; F689-L703 HydrophobicContact CE1-CB 3.9Å; F689-L703 PolarHBondContact N-O 3.03Å; F689-A705 HydrophobicContact CD1-CB 4.36Å; F689-A705 HydrophobicContact CE1-CB 3.84Å
690	L	98.7	Very high	97.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	132.4	-174.5	-176.3	55.1	0	0	0	110.9	W528 L674 F675 L688 W692 A702 L703	W528-L690 HydrophobicContact CZ2-CD1 4.22Å; L674-L690 HydrophobicContact CB-CD1 4.08Å; L674-L690 HydrophobicContact CD1-CD1 4.14Å; F675-L690 WeakPolarHBondContact O-CD1 3.48Å; L688-L690 VanDerWaalsContact C-N 3.33Å; L688-L690 PolarHBondContact O-N 3.23Å; L690-W692 HydrophobicContact CD2-CZ2 4.49Å; L690-A702 CarbonylContact O-C 3.59Å; L690-A702 WeakPolarHBondContact O-CA 3.38Å; L690-L703 HydrophobicContact CB-CB 4.42Å; L690-L703 HydrophobicContact CB-CD1 4.17Å; L690-L703 HydrophobicContact CD2-CD1 3.93Å; L690-L703 HydrophobicContact CG-CD1 4.17Å; L690-L703 PolarHBondContact O-N 3.3Å
691	F	98.8	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.1	178.2	-69.7	-100.1	0	0	0	110.6	L674 F675 H677 L688 L701 A702 I727 L728	L674-F691 CarbonylContact C-O 3.53Å; L674-F691 WeakPolarHBondContact CA-O 3.31Å; F675-F691 HydrophobicContact CD1-CB 4.19Å; F675-F691 HydrophobicContact CD2-CB 4.01Å; F675-F691 HydrophobicContact CD2-CD2 4.27Å; F675-F691 HydrophobicContact CD2-CG 4.42Å; F675-F691 HydrophobicContact CE1-CB 3.71Å; F675-F691 HydrophobicContact CE2-CB 3.51Å; F675-F691 HydrophobicContact CE2-CD1 4.46Å; F675-F691 AromaticContact CE2-CD2 3.72Å; F675-F691 HydrophobicContact CE2-CD2 3.72Å; F675-F691 AromaticContact CE2-CG 3.66Å; F675-F691 HydrophobicContact CE2-CG 3.66Å; F675-F691 HydrophobicContact CG-CB 4.33Å; F675-F691 HydrophobicContact CZ-CB 3.34Å; F675-F691 HydrophobicContact CZ-CD1 4.29Å; F675-F691 HydrophobicContact CZ-CD2 4.31Å; F675-F691 AromaticContact CZ-CG 3.75Å; F675-F691 HydrophobicContact CZ-CG 3.75Å; F675-F691 PolarHBondContact N-O 3.37Å; F675-F691 PolarHBondContact O-N 3.09Å; H677-F691 HydrophobicContact CB-CE2 4.35Å; L688-F691 VanDerWaalsContact O-CE2 3.28Å; L688-F691 WeakPolarHBondContact O-CE2 3.45Å; F691-L701 CarbonylContact C-O 3.55Å; F691-L701 WeakPolarHBondContact CA-O 3.42Å; F691-A702 HydrophobicContact CD1-CB 3.7Å; F691-A702 HydrophobicContact CE1-CB 3.47Å; F691-A702 VanDerWaalsContact CE1-CB 3.47Å; F691-A702 HydrophobicContact CG-CB 4.38Å; F691-A702 HydrophobicContact CZ-CB 3.96Å; F691-I727 HydrophobicContact CE2-CG2 3.93Å; F691-I727 HydrophobicContact CZ-CB 4.46Å; F691-I727 HydrophobicContact CZ-CG2 4.13Å; F691-L728 HydrophobicContact CD1-CD2 3.99Å; F691-L728 HydrophobicContact CE1-CD1 4.1Å; F691-L728 HydrophobicContact CE1-CD2 3.88Å; F691-L728 HydrophobicContact CE1-CG 3.97Å; F691-L728 HydrophobicContact CG-CD2 4.5Å; F691-L728 HydrophobicContact CZ-CD2 4.32Å; F691-L728 HydrophobicContact CZ-CG 4.33Å
692	W	98.6	Very high	97.7	Very high	21 Å²	21	24.2 Å²	24.2	8%	0.08	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.1	-177.5	-68.7	61	0	0	0	111.3	M323 V324 I347 F535 N673 L690 L694 L700 L701	M323-W692 HydrophobicContact CE-CD2 3.56Å; M323-W692 HydrophobicContact CE-CE3 3.61Å; M323-W692 HydrophobicContact CE-CG 4.24Å; M323-W692 HydrophobicContact CE-CH2 3.69Å; M323-W692 HydrophobicContact CE-CZ2 3.71Å; M323-W692 HydrophobicContact CE-CZ3 3.65Å; V324-W692 HydrophobicContact CG2-CH2 4.07Å; V324-W692 HydrophobicContact CG2-CZ3 4.2Å; I347-W692 HydrophobicContact CD1-CH2 4.47Å; I347-W692 HydrophobicContact CD1-CZ3 3.88Å; I347-W692 HydrophobicContact CG2-CZ3 4.4Å; F535-W692 HydrophobicContact CE1-CZ2 4.34Å; F535-W692 HydrophobicContact CZ-CZ2 4.23Å; N673-W692 CarbonylContact O-C 3.25Å; N673-W692 WeakPolarHBondContact O-CA 3.49Å; L690-W692 HydrophobicContact CD2-CZ2 4.49Å; W692-L694 HydrophobicContact CB-CG 4.36Å; W692-L694 HydrophobicContact CD2-CD1 4.23Å; W692-L694 HydrophobicContact CE3-CD1 3.17Å; W692-L694 HydrophobicContact CE3-CD2 3.96Å; W692-L694 HydrophobicContact CE3-CG 3.66Å; W692-L694 HydrophobicContact CZ3-CD1 3.61Å; W692-L694 HydrophobicContact CZ3-CD2 4.42Å; W692-L694 HydrophobicContact CZ3-CG 4.39Å; W692-L700 WeakPolarHBondContact O-CA 3.42Å; W692-L701 HydrophobicContact CB-CB 4.29Å; W692-L701 PolarHBondContact N-O 3.04Å; W692-L701 PolarHBondContact O-N 3.36Å
693	N	98	Very high	97.8	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.08	12%	0.118	C	C	.	.			trans	-121.9	88.8	172.8	167.8	43.5	0	0	0	108.8	W668 V672 N673 L700	W668-N693 PolarHBondContact NE1-ND2 3.09Å; W668-N693 PolarHBondContact NE1-OD1 3.37Å; V672-N693 PolarHBondContact O-ND2 2.91Å; V672-N693 VanDerWaalsContact O-ND2 3.11Å; N673-N693 PolarHBondContact ND2-O 2.74Å; N673-N693 PolarHBondContact O-N 3.22Å; N693-L700 HydrophobicContact CB-CD2 4.12Å
694	L	96.6	Very high	97.8	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	9%	0.087	C	C	.	.			trans	-118.7	-19.2	-172.8	-70	-176.2	0	0	0	114.8	M323 I347 T563 R565 N673 W692	M323-L694 HydrophobicContact SD-CD1 4.38Å; I347-L694 HydrophobicContact CG1-CD2 4.06Å; I347-L694 HydrophobicContact CG2-CD2 4.49Å; T563-L694 HydrophobicContact CG2-CB 4.11Å; T563-L694 HydrophobicContact CG2-CD1 4.18Å; T563-L694 HydrophobicContact CG2-CD2 4.16Å; T563-L694 HydrophobicContact CG2-CG 4.38Å; R565-L694 PolarHBondContact NE-O 2.94Å; N673-L694 HydrophobicContact CB-CD2 4.04Å; W692-L694 HydrophobicContact CB-CG 4.36Å; W692-L694 HydrophobicContact CD2-CD1 4.23Å; W692-L694 HydrophobicContact CE3-CD1 3.17Å; W692-L694 HydrophobicContact CE3-CD2 3.96Å; W692-L694 HydrophobicContact CE3-CG 3.66Å; W692-L694 HydrophobicContact CZ3-CD1 3.61Å; W692-L694 HydrophobicContact CZ3-CD2 4.42Å; W692-L694 HydrophobicContact CZ3-CG 4.39Å
695	Y	95.6	Very high	97.9	Very high	14 Å²	14	16 Å²	16	6%	0.055	8%	0.077	C	C	.	.	S	Bend	trans	-99.9	158.9	-169.8	-61.9	-74.6	0	0	0	111.6	V317 A318 D319 I699	V317-Y695 VanDerWaalsContact O-CD1 3.28Å; V317-Y695 WeakPolarHBondContact O-CD1 3.11Å; A318-Y695 HydrophobicContact CB-CE2 4.22Å; D319-Y695 WeakPolarHBondContact CB-OH 3.3Å; D319-Y695 PolarHBondContact N-OH 2.93Å; D319-Y695 PolarHBondContact OD2-OH 3.36Å; Y695-I699 HydrophobicContact CD2-CG2 4.46Å
696	K	92.9	Very high	97.9	Very high	150 Å²	150	14.7 Å²	14.7	65%	0.652	7%	0.074	S	C	*	.	S	Bend	trans	-69.4	-36.1	179.1	-68.2	172.7	174.5	165.2	0	112.3	E343	E343-K696 IonicContact OE1-NZ 3.33Å; E343-K696 IonicContact OE2-NZ 2.74Å; E343-K696 PolarHBondContact OE2-NZ 2.86Å
697	A	96.6	Very high	97.9	Very high	20 Å²	20	19.5 Å²	19.5	17%	0.165	10%	0.096	C	C	.	.	S	Bend	trans	-78.2	154.1	176.1	0	0	0	0	0	110.4	Y316 I699	Y316-A697 HydrophobicContact CD1-CB 3.86Å; Y316-A697 HydrophobicContact CE1-CB 4.29Å; A697-I699 VanDerWaalsContact C-N 3.25Å; A697-I699 HydrophobicContact CB-CD1 4.13Å; A697-I699 HydrophobicContact CB-CG1 4.15Å; A697-I699 PolarHBondContact O-N 3.07Å
698	P	98.4	Very high	97.9	Very high	27 Å²	27	17.8 Å²	17.8	18%	0.175	9%	0.088	C	C	.	.	S	Bend	trans	-65.9	81.4	177.3	28.4	-37.8	0	0	0	111.5	Y316 F663 V666 W668	Y316-P698 HydrophobicContact CE1-CG 4.43Å; F663-P698 HydrophobicContact CB-CB 4.4Å; F663-P698 PolarHBondContact N-O 3.07Å; F663-P698 WeakPolarHBondContact O-CG 3.38Å; V666-P698 HydrophobicContact CG2-CB 3.82Å; W668-P698 HydrophobicContact CH2-CB 3.93Å; W668-P698 HydrophobicContact CZ2-CB 4.4Å
699	I	98.8	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127	-179.7	-57.7	175.4	0	0	0	108.3	Y316 V317 A318 V660 L661 Y695 A697	Y316-I699 HydrophobicContact CD1-CD1 3.92Å; Y316-I699 HydrophobicContact CD1-CG1 3.82Å; Y316-I699 HydrophobicContact CE1-CG1 4.49Å; Y316-I699 HydrophobicContact CG-CD1 4.36Å; V317-I699 WeakPolarHBondContact O-CD1 3.41Å; A318-I699 HydrophobicContact CB-CD1 4.47Å; A318-I699 HydrophobicContact CB-CG2 4.37Å; V660-I699 HydrophobicContact CG1-CG2 3.81Å; L661-I699 WeakPolarHBondContact O-CA 3.27Å; Y695-I699 HydrophobicContact CD2-CG2 4.46Å; A697-I699 VanDerWaalsContact C-N 3.25Å; A697-I699 HydrophobicContact CB-CD1 4.13Å; A697-I699 HydrophobicContact CB-CG1 4.15Å; A697-I699 PolarHBondContact O-N 3.07Å
700	L	98.8	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.3	161.6	-72.9	175.7	0	0	0	109.6	L661 F663 F667 W668 F675 W692 N693 L728	L661-L700 PolarHBondContact N-O 3.04Å; L661-L700 PolarHBondContact O-N 2.95Å; F663-L700 HydrophobicContact CE2-CB 4.29Å; F663-L700 HydrophobicContact CE2-CD1 4.25Å; F663-L700 HydrophobicContact CE2-CG 4.41Å; F667-L700 HydrophobicContact CE2-CD1 4.33Å; F667-L700 HydrophobicContact CZ-CD1 3.95Å; W668-L700 HydrophobicContact CD2-CD1 4.1Å; W668-L700 HydrophobicContact CD2-CD2 3.8Å; W668-L700 HydrophobicContact CD2-CG 3.93Å; W668-L700 HydrophobicContact CE3-CD1 3.6Å; W668-L700 HydrophobicContact CE3-CD2 4.13Å; W668-L700 HydrophobicContact CE3-CG 3.72Å; W668-L700 HydrophobicContact CG-CD2 4.14Å; W668-L700 HydrophobicContact CH2-CG 3.93Å; W668-L700 HydrophobicContact CZ2-CD2 4.24Å; W668-L700 HydrophobicContact CZ2-CG 4.13Å; W668-L700 HydrophobicContact CZ3-CD1 3.88Å; W668-L700 HydrophobicContact CZ3-CD2 4.48Å; W668-L700 HydrophobicContact CZ3-CG 3.73Å; F675-L700 HydrophobicContact CE1-CD2 4.02Å; F675-L700 HydrophobicContact CZ-CD1 4.34Å; F675-L700 HydrophobicContact CZ-CD2 4.34Å; W692-L700 WeakPolarHBondContact O-CA 3.42Å; N693-L700 HydrophobicContact CB-CD2 4.12Å; L700-L728 HydrophobicContact CD1-CD1 3.98Å; L700-L728 HydrophobicContact CD1-CD2 3.77Å
701	L	98.6	Very high	97.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.1	174.4	-168.8	156.4	0	0	0	109.1	M323 K658 V659 V660 F691 W692 L703	M323-L701 HydrophobicContact SD-CD1 4.3Å; K658-L701 HydrophobicContact CB-CD2 3.93Å; K658-L701 HydrophobicContact CB-CG 4.32Å; K658-L701 HydrophobicContact CD-CD1 4.04Å; K658-L701 HydrophobicContact CD-CD2 3.87Å; K658-L701 HydrophobicContact CD-CG 4.41Å; K658-L701 HydrophobicContact CG-CD2 3.95Å; V659-L701 CarbonylContact O-C 3.58Å; V659-L701 WeakPolarHBondContact O-CA 2.99Å; V660-L701 HydrophobicContact CG2-CD1 4.33Å; F691-L701 CarbonylContact C-O 3.55Å; F691-L701 WeakPolarHBondContact CA-O 3.42Å; W692-L701 HydrophobicContact CB-CB 4.29Å; W692-L701 PolarHBondContact N-O 3.04Å; W692-L701 PolarHBondContact O-N 3.36Å; L701-L703 HydrophobicContact CD2-CD2 3.48Å; L701-L703 VanDerWaalsContact CD2-CD2 3.48Å; L701-L703 HydrophobicContact CD2-CG 4.3Å
702	A	98.7	Very high	97.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.1	176.4	0	0	0	0	0	111	K658 V659 L688 L690 F691	K658-A702 CarbonylContact C-O 3.35Å; K658-A702 WeakPolarHBondContact CA-O 3.48Å; V659-A702 HydrophobicContact CB-CB 4.19Å; V659-A702 PolarHBondContact N-O 3.08Å; V659-A702 PolarHBondContact O-N 2.91Å; L688-A702 HydrophobicContact CD2-CB 3.95Å; L690-A702 CarbonylContact O-C 3.59Å; L690-A702 WeakPolarHBondContact O-CA 3.38Å; F691-A702 HydrophobicContact CD1-CB 3.7Å; F691-A702 HydrophobicContact CE1-CB 3.47Å; F691-A702 VanDerWaalsContact CE1-CB 3.47Å; F691-A702 HydrophobicContact CG-CB 4.38Å; F691-A702 HydrophobicContact CZ-CB 3.96Å
703	L	98.6	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.4	-178	-62.3	-177.4	0	0	0	112.9	F535 K658 L688 F689 L690 L701	F535-L703 HydrophobicContact CD1-CD1 4.44Å; F535-L703 HydrophobicContact CD2-CD1 3.75Å; F535-L703 HydrophobicContact CE1-CD1 4.2Å; F535-L703 HydrophobicContact CE2-CD1 3.47Å; F535-L703 VanDerWaalsContact CE2-CD1 3.47Å; F535-L703 HydrophobicContact CE2-CD2 4.3Å; F535-L703 HydrophobicContact CE2-CG 4.46Å; F535-L703 HydrophobicContact CG-CD1 4.24Å; F535-L703 HydrophobicContact CZ-CD1 3.71Å; K658-L703 HydrophobicContact CD-CD2 4.46Å; K658-L703 HydrophobicContact CG-CD2 3.84Å; L688-L703 WeakPolarHBondContact CA-O 3.45Å; L688-L703 PolarHBondContact N-O 2.97Å; L688-L703 VanDerWaalsContact N-O 3.14Å; F689-L703 HydrophobicContact CD1-CB 4.38Å; F689-L703 HydrophobicContact CE1-CB 3.9Å; F689-L703 PolarHBondContact N-O 3.03Å; L690-L703 HydrophobicContact CB-CB 4.42Å; L690-L703 HydrophobicContact CB-CD1 4.17Å; L690-L703 HydrophobicContact CD2-CD1 3.93Å; L690-L703 HydrophobicContact CG-CD1 4.17Å; L690-L703 PolarHBondContact O-N 3.3Å; L701-L703 HydrophobicContact CD2-CD2 3.48Å; L701-L703 VanDerWaalsContact CD2-CD2 3.48Å; L701-L703 HydrophobicContact CD2-CG 4.3Å
704	M	98.1	Very high	97.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.5	171	-64.2	176.3	-65.4	0	0	109	N657 V659 G686 L688 M712 I720 V745	N657-M704 HydrophobicContact CB-CB 4.36Å; N657-M704 HydrophobicContact CB-CE 3.62Å; N657-M704 PolarHBondContact N-O 3.41Å; N657-M704 PolarHBondContact O-N 3.05Å; V659-M704 HydrophobicContact CG2-CE 3.65Å; V659-M704 HydrophobicContact CG2-SD 4.27Å; G686-M704 WeakPolarHBondContact O-CA 3.28Å; L688-M704 HydrophobicContact CD2-CG 3.79Å; L688-M704 HydrophobicContact CD2-SD 4.11Å; L688-M704 HydrophobicContact CG-CG 4.48Å; M704-M712 HydrophobicContact CE-CB 4.44Å; M704-M712 HydrophobicContact SD-CB 3.53Å; M704-M712 VanDerWaalsContact SD-CB 3.53Å; M704-M712 HydrophobicContact SD-CE 3.82Å; M704-M712 HydrophobicContact SD-CG 3.74Å; M704-I720 HydrophobicContact SD-CG2 4.19Å; M704-V745 HydrophobicContact CE-CG1 4.11Å
705	A	98.4	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.			trans	-131.8	174.4	-172.4	0	0	0	0	0	112.1	F535 G686 F689 A708 A709	F535-A705 HydrophobicContact CB-CB 3.68Å; G686-A705 PolarHBondContact O-N 3.35Å; F689-A705 HydrophobicContact CD1-CB 4.36Å; F689-A705 HydrophobicContact CE1-CB 3.84Å; A705-A708 WeakPolarHBondContact O-CB 3.46Å; A705-A708 PolarHBondContact O-N 3.19Å; A705-A709 PolarHBondContact O-N 3.22Å
706	G	98.3	Very high	97.9	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	19%	0.193	C	C	.	.	H	α-helix	trans	55.5	-142.1	179.2	0	0	0	0	0	112.8	A708 A709	G706-A708 VanDerWaalsContact C-N 3.25Å; G706-A708 PolarHBondContact O-N 3.42Å; G706-A709 WeakPolarHBondContact O-CB 3.47Å; G706-A709 PolarHBondContact O-N 2.88Å
707	E	98.1	Very high	98.2	Very high	105 Å²	105	30.2 Å²	30.2	49%	0.491	18%	0.176	S	C	.	.	H	α-helix	trans	-62.1	-33.3	179.2	-64.9	-67.1	176.9	0	0	112.5	P540 A709 G710 I711	P540-E707 HydrophobicContact CB-CG 4.18Å; P540-E707 WeakPolarHBondContact CB-OE1 3.49Å; P540-E707 VanDerWaalsContact CG-CD 3.41Å; P540-E707 HydrophobicContact CG-CG 3.87Å; P540-E707 VanDerWaalsContact CG-OE1 3.28Å; P540-E707 WeakPolarHBondContact CG-OE1 3.5Å; E707-A709 PolarHBondContact O-N 2.9Å; E707-G710 PolarHBondContact O-N 3.46Å; E707-I711 WeakPolarHBondContact O-CG1 3.5Å; E707-I711 PolarHBondContact O-N 3.43Å
708	A	98.1	Very high	98.2	Very high	6 Å²	6	35.7 Å²	35.7	5%	0.05	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-32.5	-179.2	0	0	0	0	0	112.1	E687 A705 G706 G710 I711 M712	E687-A708 HydrophobicContact CB-CB 3.94Å; A705-A708 WeakPolarHBondContact O-CB 3.46Å; A705-A708 PolarHBondContact O-N 3.19Å; G706-A708 VanDerWaalsContact C-N 3.25Å; G706-A708 PolarHBondContact O-N 3.42Å; A708-G710 VanDerWaalsContact C-N 3.29Å; A708-G710 PolarHBondContact O-N 3.25Å; A708-I711 PolarHBondContact O-N 3.3Å; A708-M712 VanDerWaalsContact O-CB 3.26Å; A708-M712 WeakPolarHBondContact O-CB 3.42Å; A708-M712 WeakPolarHBondContact O-CG 3.42Å; A708-M712 PolarHBondContact O-N 3.03Å
709	A	98.1	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-38.9	-178.1	0	0	0	0	0	113.1	N655 N657 A705 G706 E707 E713	N655-A709 HydrophobicContact CB-CB 4.42Å; N655-A709 PolarHBondContact ND2-O 3.43Å; N655-A709 WeakPolarHBondContact O-CB 3.41Å; N657-A709 PolarHBondContact ND2-O 3.08Å; N657-A709 VanDerWaalsContact ND2-O 3.13Å; A705-A709 PolarHBondContact O-N 3.22Å; G706-A709 WeakPolarHBondContact O-CB 3.47Å; G706-A709 PolarHBondContact O-N 2.88Å; E707-A709 PolarHBondContact O-N 2.9Å; A709-E713 WeakPolarHBondContact O-CG 3.43Å
710	G	96.8	Very high	98.2	Very high	35 Å²	35	37.5 Å²	37.5	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-80.9	-40.9	178.2	0	0	0	0	0	113.1	E707 A708 M712 E713	E707-G710 PolarHBondContact O-N 3.46Å; A708-G710 VanDerWaalsContact C-N 3.29Å; A708-G710 PolarHBondContact O-N 3.25Å; G710-M712 PolarHBondContact O-N 2.86Å; G710-E713 PolarHBondContact O-N 3.05Å
711	I	97.6	Very high	98.2	Very high	104 Å²	104	38.1 Å²	38.1	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-44	-179.7	-63.5	168.6	0	0	0	110.5	E707 A708 E713 N714	E707-I711 WeakPolarHBondContact O-CG1 3.5Å; E707-I711 PolarHBondContact O-N 3.43Å; A708-I711 PolarHBondContact O-N 3.3Å; I711-E713 PolarHBondContact O-N 2.75Å; I711-N714 PolarHBondContact O-N 3.28Å
712	M	97.6	Very high	98.2	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-68.1	-19	-176.4	-66.6	-67.1	-78.2	0	0	113.4	E687 M704 A708 G710 N714 I715 I720	E687-M712 HydrophobicContact CG-CE 4.04Å; E687-M712 HydrophobicContact CG-CG 4.49Å; E687-M712 HydrophobicContact CG-SD 4.11Å; M704-M712 HydrophobicContact CE-CB 4.44Å; M704-M712 HydrophobicContact SD-CB 3.53Å; M704-M712 VanDerWaalsContact SD-CB 3.53Å; M704-M712 HydrophobicContact SD-CE 3.82Å; M704-M712 HydrophobicContact SD-CG 3.74Å; A708-M712 VanDerWaalsContact O-CB 3.26Å; A708-M712 WeakPolarHBondContact O-CB 3.42Å; A708-M712 WeakPolarHBondContact O-CG 3.42Å; A708-M712 PolarHBondContact O-N 3.03Å; G710-M712 PolarHBondContact O-N 2.86Å; M712-N714 PolarHBondContact O-N 3.42Å; M712-I715 PolarHBondContact O-N 3.07Å; M712-I715 HydrophobicContact SD-CD1 3.67Å; M712-I720 HydrophobicContact CE-CB 4.36Å; M712-I720 HydrophobicContact CE-CD1 4.45Å; M712-I720 HydrophobicContact CE-CG1 3.81Å; M712-I720 HydrophobicContact CE-CG2 4.09Å; M712-I720 WeakPolarHBondContact O-CD1 3.47Å
713	E	98.3	Very high	98.2	Very high	19 Å²	19	44.2 Å²	44.2	9%	0.089	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.4	-25.1	174.4	-63.1	-162.4	-171.1	0	0	112.6	N655 N657 A709 G710 I711 I715 R747 W748 R749 A750	N655-E713 PolarHBondContact ND2-OE1 2.88Å; N655-E713 PolarHBondContact OD1-OE1 3.44Å; N657-E713 WeakPolarHBondContact ND2-CG 3.37Å; N657-E713 PolarHBondContact ND2-OE1 3Å; A709-E713 WeakPolarHBondContact O-CG 3.43Å; G710-E713 PolarHBondContact O-N 3.05Å; I711-E713 PolarHBondContact O-N 2.75Å; E713-I715 VanDerWaalsContact C-N 3.28Å; E713-I715 PolarHBondContact O-N 3.4Å; E713-R747 HydrophobicContact CB-CB 4.35Å; E713-R747 HydrophobicContact CB-CG 4.04Å; E713-R747 HydrophobicContact CG-CB 3.98Å; E713-R747 HydrophobicContact CG-CG 3.92Å; E713-R747 WeakPolarHBondContact O-CD 3.36Å; E713-R747 PolarHBondContact O-NE 3.11Å; E713-W748 PolarHBondContact OE1-N 2.88Å; E713-R749 VanDerWaalsContact OE1-CB 3.28Å; E713-R749 WeakPolarHBondContact OE1-CB 3.5Å; E713-R749 PolarHBondContact OE1-N 3.28Å; E713-R749 WeakPolarHBondContact OE2-CB 3.24Å; E713-A750 VanDerWaalsContact OE2-CB 3.31Å; E713-A750 WeakPolarHBondContact OE2-CB 3.48Å; E713-A750 PolarHBondContact OE2-N 2.95Å
714	N	98.1	Very high	98.2	Very high	148 Å²	148	44.2 Å²	44.2	79%	0.791	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-85.9	1.6	179.5	-61.1	-47.4	0	0	0	113.6	I711 M712	I711-N714 PolarHBondContact O-N 3.28Å; M712-N714 PolarHBondContact O-N 3.42Å
715	I	98.3	Very high	98.2	Very high	37 Å²	37	44.7 Å²	44.7	19%	0.19	25%	0.253	C	S	.	.	S	Bend	trans	-105	142.3	179.8	-59.9	-177.1	0	0	0	108.6	M712 E713 V719 I720 R747	M712-I715 PolarHBondContact O-N 3.07Å; M712-I715 HydrophobicContact SD-CD1 3.67Å; E713-I715 VanDerWaalsContact C-N 3.28Å; E713-I715 PolarHBondContact O-N 3.4Å; I715-V719 HydrophobicContact CG2-CB 3.65Å; I715-V719 HydrophobicContact CG2-CG1 3.55Å; I715-I720 HydrophobicContact CB-CD1 4.36Å; I715-I720 HydrophobicContact CB-CG1 4.19Å; I715-I720 HydrophobicContact CG2-CG1 3.89Å; I715-R747 PolarHBondContact O-NH2 3.45Å
716	S	98.6	Very high	98.1	Very high	66 Å²	66	47.7 Å²	47.7	46%	0.462	28%	0.278	S	S	.	.			trans	-66.8	149.4	178.7	56.8	0	0	0	0	112.6	D718 V719 I720	S716-D718 VanDerWaalsContact C-N 3.29Å; S716-D718 PolarHBondContact O-N 2.93Å; S716-V719 PolarHBondContact O-N 2.87Å; S716-V719 VanDerWaalsContact O-N 3.08Å; S716-V719 WeakPolarHBondContact OG-CG2 3.46Å; S716-I720 PolarHBondContact O-N 3.29Å
717	D	98.6	Very high	98	Very high	56 Å²	56	48.3 Å²	48.3	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-51.4	-45	179.6	-69.5	9.7	0	0	0	112.6	V719 I720 V721 V745 R747	D717-V719 VanDerWaalsContact C-N 3.28Å; D717-V719 PolarHBondContact O-N 3.14Å; D717-I720 PolarHBondContact O-N 2.95Å; D717-I720 VanDerWaalsContact O-N 3.14Å; D717-V721 WeakPolarHBondContact O-CB 3.49Å; D717-V721 VanDerWaalsContact O-CG2 3.3Å; D717-V721 WeakPolarHBondContact O-CG2 3.29Å; D717-V721 PolarHBondContact O-N 3.25Å; D717-V745 HydrophobicContact CB-CG2 4.16Å; D717-R747 IonicContact OD1-CZ 3.53Å; D717-R747 IonicContact OD1-NH1 2.96Å; D717-R747 PolarHBondContact OD1-NH1 3.26Å; D717-R747 IonicContact OD1-NH2 3.52Å; D717-R747 PolarHBondContact OD1-NH2 2.99Å
718	D	98.3	Very high	97.9	Very high	135 Å²	135	43.3 Å²	43.3	72%	0.722	26%	0.257	S	S	*	.	H	α-helix	trans	-58.8	-37.8	-178.6	-63.8	-24.8	0	0	0	113.1	S716 G722	S716-D718 VanDerWaalsContact C-N 3.29Å; S716-D718 PolarHBondContact O-N 2.93Å; D718-G722 PolarHBondContact O-N 2.86Å
719	V	98.5	Very high	97.8	Very high	66 Å²	66	46.4 Å²	46.4	40%	0.4	27%	0.269	S	S	.	.	H	α-helix	trans	-72.8	-42.3	178.8	172.9	0	0	0	0	110.2	I715 S716 D717 G722 R723	I715-V719 HydrophobicContact CG2-CB 3.65Å; I715-V719 HydrophobicContact CG2-CG1 3.55Å; S716-V719 PolarHBondContact O-N 2.87Å; S716-V719 VanDerWaalsContact O-N 3.08Å; S716-V719 WeakPolarHBondContact OG-CG2 3.46Å; D717-V719 VanDerWaalsContact C-N 3.28Å; D717-V719 PolarHBondContact O-N 3.14Å; V719-G722 PolarHBondContact O-N 3.45Å; V719-R723 WeakPolarHBondContact O-CG 3.32Å; V719-R723 PolarHBondContact O-N 3.46Å
720	I	98.6	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-47.8	177.9	-60.3	174.4	0	0	0	110	V659 M704 M712 I715 S716 D717 G722 R723 C724 V745	V659-I720 HydrophobicContact CG1-CG2 4.47Å; V659-I720 HydrophobicContact CG2-CG2 3.61Å; M704-I720 HydrophobicContact SD-CG2 4.19Å; M712-I720 HydrophobicContact CE-CB 4.36Å; M712-I720 HydrophobicContact CE-CD1 4.45Å; M712-I720 HydrophobicContact CE-CG1 3.81Å; M712-I720 HydrophobicContact CE-CG2 4.09Å; M712-I720 WeakPolarHBondContact O-CD1 3.47Å; I715-I720 HydrophobicContact CB-CD1 4.36Å; I715-I720 HydrophobicContact CB-CG1 4.19Å; I715-I720 HydrophobicContact CG2-CG1 3.89Å; S716-I720 PolarHBondContact O-N 3.29Å; D717-I720 PolarHBondContact O-N 2.95Å; D717-I720 VanDerWaalsContact O-N 3.14Å; I720-G722 VanDerWaalsContact C-N 3.31Å; I720-G722 PolarHBondContact O-N 3.32Å; I720-R723 PolarHBondContact O-N 3.47Å; I720-C724 PolarHBondContact O-N 3.21Å; I720-C724 PolarHBondContact O-SG 3.29Å; I720-V745 HydrophobicContact CD1-CG1 3.87Å; I720-V745 HydrophobicContact CG2-CG2 4.37Å
721	V	98.7	Very high	97.4	Very high	12 Å²	12	45.7 Å²	45.7	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-42.3	175.1	172.7	0	0	0	0	110.5	V659 L661 D717 R723 C724 L725 P740 T743	V659-V721 HydrophobicContact CG1-CG2 4.42Å; L661-V721 HydrophobicContact CD2-CG1 4.1Å; L661-V721 HydrophobicContact CD2-CG2 4.15Å; D717-V721 WeakPolarHBondContact O-CB 3.49Å; D717-V721 VanDerWaalsContact O-CG2 3.3Å; D717-V721 WeakPolarHBondContact O-CG2 3.29Å; D717-V721 PolarHBondContact O-N 3.25Å; V721-R723 VanDerWaalsContact C-N 3.31Å; V721-R723 PolarHBondContact O-N 3Å; V721-C724 WeakPolarHBondContact O-CB 3.41Å; V721-C724 PolarHBondContact O-N 2.9Å; V721-C724 VanDerWaalsContact O-N 3.16Å; V721-L725 HydrophobicContact CG1-CD1 4.19Å; V721-L725 HydrophobicContact CG1-CG 4.32Å; V721-L725 WeakPolarHBondContact O-CG 3.25Å; V721-L725 PolarHBondContact O-N 3.13Å; V721-P740 HydrophobicContact CG1-CG 4.03Å; V721-T743 HydrophobicContact CG1-CG2 4.01Å; V721-T743 HydrophobicContact CG2-CG2 3.78Å
722	G	98.4	Very high	97.3	Very high	37 Å²	37	42.6 Å²	42.6	38%	0.381	24%	0.243	S	C	.	.	H	α-helix	trans	-55.7	-43.2	174.4	0	0	0	0	0	112.9	D718 V719 I720 L725 A726	D718-G722 PolarHBondContact O-N 2.86Å; V719-G722 PolarHBondContact O-N 3.45Å; I720-G722 VanDerWaalsContact C-N 3.31Å; I720-G722 PolarHBondContact O-N 3.32Å; G722-L725 PolarHBondContact O-N 3.35Å; G722-A726 PolarHBondContact O-N 2.72Å
723	R	98.1	Very high	97	Very high	94 Å²	94	43.5 Å²	43.5	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-42.3	174.7	-66.4	-174.9	-169.8	-170.9	0	112.2	E687 L688 V719 I720 V721 L725 A726 I727	E687-R723 VanDerWaalsContact CD-NH1 3.28Å; E687-R723 WeakPolarHBondContact OE1-CD 3.31Å; E687-R723 IonicContact OE1-CZ 2.68Å; E687-R723 IonicContact OE1-NE 3.14Å; E687-R723 IonicContact OE1-NH1 3.54Å; E687-R723 PolarHBondContact OE1-NH1 3.29Å; E687-R723 IonicContact OE2-NH1 2.84Å; E687-R723 PolarHBondContact OE2-NH1 3.48Å; L688-R723 HydrophobicContact CD1-CB 3.7Å; V719-R723 WeakPolarHBondContact O-CG 3.32Å; V719-R723 PolarHBondContact O-N 3.46Å; I720-R723 PolarHBondContact O-N 3.47Å; V721-R723 VanDerWaalsContact C-N 3.31Å; V721-R723 PolarHBondContact O-N 3Å; R723-L725 VanDerWaalsContact C-N 3.34Å; R723-L725 PolarHBondContact O-N 3.33Å; R723-A726 WeakPolarHBondContact O-CB 3.45Å; R723-A726 PolarHBondContact O-N 3.06Å; R723-I727 WeakPolarHBondContact O-CG1 3.47Å; R723-I727 PolarHBondContact O-N 3.3Å
724	C	98.3	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-48.7	172.9	-67.5	0	0	0	0	111.5	L661 L688 I720 V721 A726 I727 L728	L661-C724 HydrophobicContact CD1-CB 3.74Å; L688-C724 HydrophobicContact CD1-CB 4.49Å; L688-C724 VanDerWaalsContact CD2-SG 3.57Å; I720-C724 PolarHBondContact O-N 3.21Å; I720-C724 PolarHBondContact O-SG 3.29Å; V721-C724 WeakPolarHBondContact O-CB 3.41Å; V721-C724 PolarHBondContact O-N 2.9Å; V721-C724 VanDerWaalsContact O-N 3.16Å; C724-A726 VanDerWaalsContact C-N 3.31Å; C724-A726 PolarHBondContact O-N 2.91Å; C724-I727 PolarHBondContact O-N 3.41Å; C724-L728 WeakPolarHBondContact O-CB 3.42Å; C724-L728 VanDerWaalsContact O-CG 3.25Å; C724-L728 WeakPolarHBondContact O-CG 3.45Å; C724-L728 PolarHBondContact O-N 3.34Å
725	L	98.1	Very high	96.4	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-34.6	-179.4	-64.1	179.1	0	0	0	111.9	F663 V721 G722 R723 K729 V737	F663-L725 HydrophobicContact CE1-CD2 4.15Å; F663-L725 HydrophobicContact CZ-CD2 4.25Å; V721-L725 HydrophobicContact CG1-CD1 4.19Å; V721-L725 HydrophobicContact CG1-CG 4.32Å; V721-L725 WeakPolarHBondContact O-CG 3.25Å; V721-L725 PolarHBondContact O-N 3.13Å; G722-L725 PolarHBondContact O-N 3.35Å; R723-L725 VanDerWaalsContact C-N 3.34Å; R723-L725 PolarHBondContact O-N 3.33Å; L725-K729 VanDerWaalsContact O-CB 3.25Å; L725-K729 WeakPolarHBondContact O-CB 3.47Å; L725-K729 WeakPolarHBondContact O-CD 2.73Å; L725-K729 WeakPolarHBondContact O-CG 3.44Å; L725-K729 PolarHBondContact O-N 3.05Å; L725-V737 HydrophobicContact CD2-CG1 3.92Å
726	A	96.5	Very high	96.3	Very high	63 Å²	63	44.9 Å²	44.9	52%	0.521	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-48.1	174.4	0	0	0	0	0	111.5	G722 R723 C724 K729 G730	G722-A726 PolarHBondContact O-N 2.72Å; R723-A726 WeakPolarHBondContact O-CB 3.45Å; R723-A726 PolarHBondContact O-N 3.06Å; C724-A726 VanDerWaalsContact C-N 3.31Å; C724-A726 PolarHBondContact O-N 2.91Å; A726-K729 PolarHBondContact O-N 3.41Å; A726-G730 PolarHBondContact O-N 3.21Å
727	I	96.1	Very high	96.2	Very high	20 Å²	20	42.2 Å²	42.2	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-51.2	176.6	-66.2	164.6	0	0	0	110.5	H677 L688 F691 R723 C724 K729 G730 I731	H677-I727 HydrophobicContact CB-CG2 3.92Å; L688-I727 HydrophobicContact CB-CD1 3.71Å; L688-I727 HydrophobicContact CD1-CD1 3.96Å; L688-I727 HydrophobicContact CG-CD1 4.5Å; F691-I727 HydrophobicContact CE2-CG2 3.93Å; F691-I727 HydrophobicContact CZ-CB 4.46Å; F691-I727 HydrophobicContact CZ-CG2 4.13Å; R723-I727 WeakPolarHBondContact O-CG1 3.47Å; R723-I727 PolarHBondContact O-N 3.3Å; C724-I727 PolarHBondContact O-N 3.41Å; I727-K729 VanDerWaalsContact C-N 3.29Å; I727-K729 PolarHBondContact O-N 2.92Å; I727-G730 WeakPolarHBondContact O-CA 3.43Å; I727-G730 PolarHBondContact O-N 3.05Å; I727-I731 HydrophobicContact CG2-CD1 3.98Å; I727-I731 PolarHBondContact O-N 3.18Å
728	L	96.8	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-37.2	-178.5	-67.8	169.7	0	0	0	112.1	L661 F663 F667 F675 F691 L700 C724 G730 I731 F732 V737	L661-L728 HydrophobicContact CD1-CD1 4.02Å; F663-L728 HydrophobicContact CZ-CD1 4.42Å; F667-L728 HydrophobicContact CE2-CB 4.48Å; F667-L728 HydrophobicContact CZ-CD1 4.26Å; F675-L728 HydrophobicContact CE2-CD2 4.02Å; F675-L728 HydrophobicContact CZ-CD2 3.8Å; F691-L728 HydrophobicContact CD1-CD2 3.99Å; F691-L728 HydrophobicContact CE1-CD1 4.1Å; F691-L728 HydrophobicContact CE1-CD2 3.88Å; F691-L728 HydrophobicContact CE1-CG 3.97Å; F691-L728 HydrophobicContact CG-CD2 4.5Å; F691-L728 HydrophobicContact CZ-CD2 4.32Å; F691-L728 HydrophobicContact CZ-CG 4.33Å; L700-L728 HydrophobicContact CD1-CD1 3.98Å; L700-L728 HydrophobicContact CD1-CD2 3.77Å; C724-L728 WeakPolarHBondContact O-CB 3.42Å; C724-L728 VanDerWaalsContact O-CG 3.25Å; C724-L728 WeakPolarHBondContact O-CG 3.45Å; C724-L728 PolarHBondContact O-N 3.34Å; L728-G730 VanDerWaalsContact C-N 3.34Å; L728-I731 PolarHBondContact O-N 3.29Å; L728-F732 HydrophobicContact CB-CD2 4.48Å; L728-F732 HydrophobicContact CD2-CD2 4.15Å; L728-F732 HydrophobicContact CD2-CE2 3.83Å; L728-F732 WeakPolarHBondContact O-CD2 3.49Å; L728-F732 PolarHBondContact O-N 2.95Å; L728-V737 HydrophobicContact CB-CG1 4.2Å; L728-V737 HydrophobicContact CB-CG2 4.16Å
729	K	95.6	Very high	96.2	Very high	70 Å²	70	40.1 Å²	40.1	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-67.1	-35.2	174.5	-76	174.2	-179.3	-179.2	0	112.1	L725 A726 I727 I731 G733 S734 V737	L725-K729 VanDerWaalsContact O-CB 3.25Å; L725-K729 WeakPolarHBondContact O-CB 3.47Å; L725-K729 WeakPolarHBondContact O-CD 2.73Å; L725-K729 WeakPolarHBondContact O-CG 3.44Å; L725-K729 PolarHBondContact O-N 3.05Å; A726-K729 PolarHBondContact O-N 3.41Å; I727-K729 VanDerWaalsContact C-N 3.29Å; I727-K729 PolarHBondContact O-N 2.92Å; K729-I731 VanDerWaalsContact C-N 3.35Å; K729-G733 CarbonylContact O-C 3.6Å; K729-G733 VanDerWaalsContact O-C 3.25Å; K729-G733 WeakPolarHBondContact O-CA 3.15Å; K729-G733 PolarHBondContact O-N 3.39Å; K729-S734 PolarHBondContact O-N 2.91Å; K729-V737 HydrophobicContact CG-CB 3.79Å; K729-V737 HydrophobicContact CG-CG1 4.27Å; K729-V737 HydrophobicContact CG-CG2 3.95Å
730	G	93.3	Very high	96.2	Very high	13 Å²	13	38 Å²	38	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-44.2	171.8	0	0	0	0	0	111.8	R363 C364 A726 I727 L728	R363-G730 CarbonylContact C-O 3.56Å; R363-G730 WeakPolarHBondContact CA-O 3.43Å; R363-G730 VanDerWaalsContact CG-O 3.26Å; R363-G730 WeakPolarHBondContact CG-O 3.3Å; C364-G730 PolarHBondContact N-O 3.18Å; C364-G730 VanDerWaalsContact SG-C 3.53Å; A726-G730 PolarHBondContact O-N 3.21Å; I727-G730 WeakPolarHBondContact O-CA 3.43Å; I727-G730 PolarHBondContact O-N 3.05Å; L728-G730 VanDerWaalsContact C-N 3.34Å
731	I	94	Very high	96.1	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-75.2	-56.2	-177.8	-61.2	170.2	0	0	0	111.9	Y354 C364 F675 I727 L728 K729	Y354-I731 HydrophobicContact CD1-CG1 4.28Å; Y354-I731 HydrophobicContact CD1-CG2 3.81Å; Y354-I731 HydrophobicContact CD2-CD1 4.09Å; Y354-I731 HydrophobicContact CD2-CG1 4.44Å; Y354-I731 HydrophobicContact CD2-CG2 4.16Å; Y354-I731 HydrophobicContact CE1-CG2 3.76Å; Y354-I731 HydrophobicContact CE2-CG2 4.11Å; Y354-I731 HydrophobicContact CG-CD1 4.03Å; Y354-I731 HydrophobicContact CG-CG1 3.95Å; Y354-I731 HydrophobicContact CG-CG2 4Å; C364-I731 HydrophobicContact CB-CG1 3.85Å; F675-I731 HydrophobicContact CD2-CD1 4.21Å; F675-I731 HydrophobicContact CE2-CD1 4.02Å; I727-I731 HydrophobicContact CG2-CD1 3.98Å; I727-I731 PolarHBondContact O-N 3.18Å; L728-I731 PolarHBondContact O-N 3.29Å; K729-I731 VanDerWaalsContact C-N 3.35Å
732	F	94.4	Very high	96.1	Very high	40 Å²	40	45.7 Å²	45.7	18%	0.175	27%	0.269	C	S	.	.	H	α-helix	trans	-94.9	-7.6	-169.1	-60	-71	0	0	0	113.9	F667 W668 F675 L728 A736 V737	F667-F732 HydrophobicContact CD2-CB 4.12Å; F667-F732 AromaticContact CD2-CD2 4Å; F667-F732 HydrophobicContact CD2-CD2 4Å; F667-F732 HydrophobicContact CD2-CG 4.04Å; F667-F732 AromaticContact CE2-CD2 3.76Å; F667-F732 HydrophobicContact CE2-CD2 3.76Å; F667-F732 HydrophobicContact CE2-CE2 4.3Å; F667-F732 HydrophobicContact CE2-CG 4.27Å; W668-F732 HydrophobicContact CB-CE1 3.92Å; W668-F732 HydrophobicContact CB-CE2 4.25Å; W668-F732 HydrophobicContact CB-CZ 3.68Å; F675-F732 HydrophobicContact CE1-CE2 4.36Å; F675-F732 HydrophobicContact CE1-CZ 4.11Å; F675-F732 AromaticContact CE2-CE2 3.98Å; F675-F732 HydrophobicContact CE2-CE2 3.98Å; F675-F732 HydrophobicContact CE2-CZ 4.19Å; F675-F732 AromaticContact CZ-CE2 3.7Å; F675-F732 HydrophobicContact CZ-CE2 3.7Å; F675-F732 AromaticContact CZ-CZ 3.87Å; F675-F732 HydrophobicContact CZ-CZ 3.87Å; L728-F732 HydrophobicContact CB-CD2 4.48Å; L728-F732 HydrophobicContact CD2-CD2 4.15Å; L728-F732 HydrophobicContact CD2-CE2 3.83Å; L728-F732 WeakPolarHBondContact O-CD2 3.49Å; L728-F732 PolarHBondContact O-N 2.95Å; F732-A736 WeakPolarHBondContact O-CB 3.28Å; F732-V737 HydrophobicContact CB-CG2 4.21Å
733	G	92.4	Very high	96.1	Very high	21 Å²	21	46.1 Å²	46.1	22%	0.216	26%	0.264	C	S	.	.			trans	94.1	141.9	-177.3	0	0	0	0	0	113.2	K729 S735 A736	K729-G733 CarbonylContact O-C 3.6Å; K729-G733 VanDerWaalsContact O-C 3.25Å; K729-G733 WeakPolarHBondContact O-CA 3.15Å; K729-G733 PolarHBondContact O-N 3.39Å; G733-S735 VanDerWaalsContact C-N 3.29Å; G733-S735 PolarHBondContact O-N 3.21Å; G733-A736 PolarHBondContact O-N 3.32Å; G733-A736 VanDerWaalsContact O-N 3.11Å
734	S	91.1	Very high	96.2	Very high	84 Å²	84	43.1 Å²	43.1	59%	0.587	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.2	-170.8	-73	0	0	0	0	115.3	K729	K729-S734 PolarHBondContact O-N 2.91Å
735	S	92.6	Very high	96.2	Very high	118 Å²	118	43.8 Å²	43.8	83%	0.825	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-20.1	-179.7	53.9	0	0	0	0	113.7	G733	G733-S735 VanDerWaalsContact C-N 3.29Å; G733-S735 PolarHBondContact O-N 3.21Å
736	A	94.6	Very high	96.2	Very high	30 Å²	30	43.8 Å²	43.8	25%	0.248	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-39.2	-177.1	0	0	0	0	0	111.8	R665 F732 G733 P738	R665-A736 PolarHBondContact NH2-O 2.99Å; F732-A736 WeakPolarHBondContact O-CB 3.28Å; G733-A736 PolarHBondContact O-N 3.32Å; G733-A736 VanDerWaalsContact O-N 3.11Å; A736-P738 VanDerWaalsContact O-CD 3.24Å; A736-P738 WeakPolarHBondContact O-CD 3.28Å
737	V	97.5	Very high	96.3	Very high	10 Å²	10	43.8 Å²	43.8	6%	0.061	25%	0.247	C	C	.	.			trans	-82.5	107.7	-172	-174	0	0	0	0	111.4	F667 L725 L728 K729 F732	F667-V737 HydrophobicContact CD2-CG2 4.03Å; F667-V737 HydrophobicContact CE1-CG1 4.34Å; F667-V737 HydrophobicContact CE2-CB 4.41Å; F667-V737 HydrophobicContact CE2-CG1 4.22Å; F667-V737 HydrophobicContact CE2-CG2 3.77Å; F667-V737 HydrophobicContact CZ-CB 4.48Å; F667-V737 HydrophobicContact CZ-CG1 3.89Å; F667-V737 HydrophobicContact CZ-CG2 4.29Å; L725-V737 HydrophobicContact CD2-CG1 3.92Å; L728-V737 HydrophobicContact CB-CG1 4.2Å; L728-V737 HydrophobicContact CB-CG2 4.16Å; K729-V737 HydrophobicContact CG-CB 3.79Å; K729-V737 HydrophobicContact CG-CG1 4.27Å; K729-V737 HydrophobicContact CG-CG2 3.95Å; F732-V737 HydrophobicContact CB-CG2 4.21Å
738	P	97.8	Very high	96.5	Very high	24 Å²	24	43.7 Å²	43.7	16%	0.156	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-78.4	171.2	175.4	34.2	-30.7	0	0	0	111.2	F663 R665 F667 A736	F663-P738 HydrophobicContact CD1-CG 3.92Å; F663-P738 WeakPolarHBondContact CE1-O 3.37Å; R665-P738 HydrophobicContact CG-CG 4.43Å; F667-P738 HydrophobicContact CD1-CG 4.33Å; A736-P738 VanDerWaalsContact O-CD 3.24Å; A736-P738 WeakPolarHBondContact O-CD 3.28Å
739	Q	98.3	Very high	96.6	Very high	124 Å²	124	48.3 Å²	48.3	58%	0.579	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-69.6	139.4	167.5	-69.9	-67	-8	0	0	110.3
740	P	98.3	Very high	96.7	Very high	22 Å²	22	47.7 Å²	47.7	14%	0.143	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.6	144.9	174.2	29.2	-32.3	0	0	0	110	C662 F663 V721 T743	C662-P740 CarbonylContact O-C 3.6Å; C662-P740 VanDerWaalsContact O-CA 3.24Å; C662-P740 WeakPolarHBondContact O-CA 3.32Å; C662-P740 WeakPolarHBondContact O-CB 3.45Å; F663-P740 HydrophobicContact CD1-CB 4.16Å; F663-P740 HydrophobicContact CE1-CB 3.91Å; F663-P740 HydrophobicContact CZ-CB 4.43Å; V721-P740 HydrophobicContact CG1-CG 4.03Å; P740-T743 HydrophobicContact CB-CG2 3.73Å; P740-T743 HydrophobicContact CG-CG2 3.45Å; P740-T743 VanDerWaalsContact CG-CG2 3.45Å
741	K	98.4	Very high	97	Very high	116 Å²	116	48.5 Å²	48.5	50%	0.504	27%	0.272	S	S	.	.	S	Bend	trans	-78.8	-33.3	173.7	-57	-55.5	-176.4	-166.8	0	111.7	C662 D664	C662-K741 PolarHBondContact O-N 3.39Å; D664-K741 HydrophobicContact CB-CG 4.45Å; D664-K741 VanDerWaalsContact CG-CE 3.45Å; D664-K741 WeakPolarHBondContact OD2-CE 3.47Å; D664-K741 IonicContact OD2-NZ 2.66Å; D664-K741 PolarHBondContact OD2-NZ 2.82Å
742	E	98.4	Very high	97.2	Very high	56 Å²	56	50.7 Å²	50.7	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.8	179.7	-59.6	-67.9	162.7	0	0	109.4	K313 Y316 C662	K313-E742 HydrophobicContact CD-CG 4.08Å; K313-E742 WeakPolarHBondContact CD-OE2 3.43Å; K313-E742 VanDerWaalsContact CE-OE1 3.29Å; K313-E742 WeakPolarHBondContact CE-OE1 3.39Å; K313-E742 IonicContact NZ-OE1 3.68Å; K313-E742 PolarHBondContact NZ-OE1 3.05Å; K313-E742 IonicContact NZ-OE2 3.57Å; K313-E742 PolarHBondContact NZ-OE2 2.79Å; Y316-E742 HydrophobicContact CD2-CG 4.24Å; Y316-E742 HydrophobicContact CE2-CG 4.22Å; C662-E742 HydrophobicContact CB-CB 3.89Å; C662-E742 PolarHBondContact N-O 2.84Å
743	T	98.6	Very high	97.4	Very high	47 Å²	47	52.5 Å²	52.5	29%	0.288	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.1	178.1	55.2	0	0	0	0	110.7	V660 L661 V721 P740	V660-T743 VanDerWaalsContact O-CA 3.27Å; V660-T743 WeakPolarHBondContact O-CA 3.44Å; L661-T743 HydrophobicContact CD2-CG2 3.91Å; V721-T743 HydrophobicContact CG1-CG2 4.01Å; V721-T743 HydrophobicContact CG2-CG2 3.78Å; P740-T743 HydrophobicContact CB-CG2 3.73Å; P740-T743 HydrophobicContact CG-CG2 3.45Å; P740-T743 VanDerWaalsContact CG-CG2 3.45Å
744	V	98.6	Very high	97.7	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.2	174.4	-175.6	0	0	0	0	109.3	F311 L320 V659 V660	F311-V744 HydrophobicContact CD1-CG2 4.16Å; F311-V744 HydrophobicContact CD2-CG2 3.67Å; F311-V744 HydrophobicContact CE1-CG2 4.15Å; F311-V744 HydrophobicContact CE2-CG2 3.65Å; F311-V744 HydrophobicContact CG-CG2 3.92Å; F311-V744 HydrophobicContact CZ-CG2 3.88Å; L320-V744 HydrophobicContact CD1-CG1 3.96Å; L320-V744 HydrophobicContact CD2-CB 4.23Å; L320-V744 HydrophobicContact CD2-CG1 3.73Å; V659-V744 CarbonylContact C-O 3.52Å; V659-V744 WeakPolarHBondContact CA-O 3.34Å; V660-V744 HydrophobicContact CB-CB 4.19Å; V660-V744 HydrophobicContact CG2-CB 4.5Å; V660-V744 PolarHBondContact N-O 3.39Å; V660-V744 PolarHBondContact O-N 3.04Å; V660-V744 VanDerWaalsContact O-N 3.08Å
745	V	98.8	Very high	98	Very high	15 Å²	15	50.6 Å²	50.6	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.8	175.9	-179.6	0	0	0	0	109.2	V659 M704 D717 I720	V659-V745 HydrophobicContact CG1-CG2 3.96Å; V659-V745 HydrophobicContact CG2-CG1 4.37Å; V659-V745 HydrophobicContact CG2-CG2 4.28Å; M704-V745 HydrophobicContact CE-CG1 4.11Å; D717-V745 HydrophobicContact CB-CG2 4.16Å; I720-V745 HydrophobicContact CD1-CG1 3.87Å; I720-V745 HydrophobicContact CG2-CG2 4.37Å
746	T	98.8	Very high	98.3	Very high	10 Å²	10	45 Å²	45	6%	0.061	23%	0.227	C	C	.	.			trans	-81.7	150.1	175.7	70.6	0	0	0	0	111.4	L320 N657 K658	L320-T746 HydrophobicContact CB-CG2 3.63Å; L320-T746 HydrophobicContact CD1-CG2 4.47Å; L320-T746 HydrophobicContact CD2-CG2 3.86Å; L320-T746 HydrophobicContact CG-CG2 4.17Å; N657-T746 WeakPolarHBondContact CA-OG1 3.37Å; N657-T746 WeakPolarHBondContact CB-O 3.39Å; N657-T746 WeakPolarHBondContact CB-OG1 3.23Å; N657-T746 PolarHBondContact OD1-O 3.08Å; N657-T746 PolarHBondContact OD1-OG1 3.46Å; K658-T746 HydrophobicContact CB-CG2 4.17Å; K658-T746 PolarHBondContact N-OG1 2.92Å; K658-T746 PolarHBondContact O-N 3.26Å
747	R	98.8	Very high	98.5	Very high	63 Å²	63	44 Å²	44	24%	0.238	22%	0.218	C	C	.	.			trans	-138.8	71.7	173.2	-65.7	-175.9	175.4	71.5	1.8	109.8	N657 E713 I715 D717 R749 A750 D751	N657-R747 WeakPolarHBondContact OD1-CA 3.31Å; N657-R747 PolarHBondContact OD1-N 3.49Å; E713-R747 HydrophobicContact CB-CB 4.35Å; E713-R747 HydrophobicContact CB-CG 4.04Å; E713-R747 HydrophobicContact CG-CB 3.98Å; E713-R747 HydrophobicContact CG-CG 3.92Å; E713-R747 WeakPolarHBondContact O-CD 3.36Å; E713-R747 PolarHBondContact O-NE 3.11Å; I715-R747 PolarHBondContact O-NH2 3.45Å; D717-R747 IonicContact OD1-CZ 3.53Å; D717-R747 IonicContact OD1-NH1 2.96Å; D717-R747 PolarHBondContact OD1-NH1 3.26Å; D717-R747 IonicContact OD1-NH2 3.52Å; D717-R747 PolarHBondContact OD1-NH2 2.99Å; R747-R749 VanDerWaalsContact C-N 3.31Å; R747-R749 PolarHBondContact O-N 2.81Å; R747-A750 HydrophobicContact CB-CB 4.06Å; R747-A750 PolarHBondContact O-N 3.31Å; R747-D751 PolarHBondContact O-N 2.97Å; R747-D751 VanDerWaalsContact O-N 3.09Å
748	W	98.8	Very high	98.6	Very high	18 Å²	18	45.6 Å²	45.6	7%	0.068	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.5	-170.8	-77.1	108.6	0	0	0	113.2	R307 A309 L320 L656 N657 E713 A754 R755 G756	R307-W748 HydrophobicContact CB-CH2 4.37Å; R307-W748 HydrophobicContact CB-CZ3 4.37Å; R307-W748 HydrophobicContact CG-CE3 4.25Å; R307-W748 HydrophobicContact CG-CH2 4.26Å; R307-W748 HydrophobicContact CG-CZ3 3.77Å; A309-W748 HydrophobicContact CB-CH2 3.97Å; A309-W748 HydrophobicContact CB-CZ2 4.21Å; L320-W748 PolarHBondContact O-NE1 2.93Å; L656-W748 VanDerWaalsContact O-CD1 3.28Å; N657-W748 PolarHBondContact OD1-N 2.94Å; E713-W748 PolarHBondContact OE1-N 2.88Å; W748-A754 HydrophobicContact CE3-CB 3.82Å; W748-A754 HydrophobicContact CZ3-CB 4.18Å; W748-R755 PolarHBondContact O-N 2.8Å; W748-G756 PolarHBondContact O-N 2.95Å
749	R	98.6	Very high	98.6	Very high	97 Å²	97	44.6 Å²	44.6	37%	0.366	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-42.7	174.8	-173.7	70	72	-167.9	8.5	111.7	F653 G654 N655 E713 R747 D751 R755	F653-R749 VanDerWaalsContact O-CZ 3.29Å; F653-R749 PolarHBondContact O-NH1 3.29Å; F653-R749 PolarHBondContact O-NH2 3.42Å; G654-R749 VanDerWaalsContact C-NH2 3.35Å; G654-R749 PolarHBondContact O-NH1 3.4Å; G654-R749 PolarHBondContact O-NH2 2.93Å; N655-R749 PolarHBondContact OD1-N 3.34Å; E713-R749 VanDerWaalsContact OE1-CB 3.28Å; E713-R749 WeakPolarHBondContact OE1-CB 3.5Å; E713-R749 PolarHBondContact OE1-N 3.28Å; E713-R749 WeakPolarHBondContact OE2-CB 3.24Å; R747-R749 VanDerWaalsContact C-N 3.31Å; R747-R749 PolarHBondContact O-N 2.81Å; R749-D751 VanDerWaalsContact C-N 3.3Å; R749-D751 PolarHBondContact O-N 2.94Å; R749-R755 WeakPolarHBondContact CD-O 3.48Å; R749-R755 PolarHBondContact NH1-O 3.11Å; R749-R755 WeakPolarHBondContact O-CA 3.49Å
750	A	98.6	Very high	98.7	Very high	57 Å²	57	40.4 Å²	40.4	47%	0.471	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.5	177	0	0	0	0	0	113.3	E713 R747 P752 R755	E713-A750 VanDerWaalsContact OE2-CB 3.31Å; E713-A750 WeakPolarHBondContact OE2-CB 3.48Å; E713-A750 PolarHBondContact OE2-N 2.95Å; R747-A750 HydrophobicContact CB-CB 4.06Å; R747-A750 PolarHBondContact O-N 3.31Å; A750-P752 WeakPolarHBondContact O-CD 3.44Å; A750-R755 PolarHBondContact O-NH1 3.46Å
751	D	98.8	Very high	98.7	Very high	29 Å²	29	39.5 Å²	39.5	16%	0.155	19%	0.19	C	C	.	.			trans	-58.7	119.1	179.9	-172.2	-37.9	0	0	0	111.9	R301 R747 R749 W753 A754 R755	R301-D751 IonicContact CZ-OD1 2.68Å; R301-D751 IonicContact CZ-OD2 3.54Å; R301-D751 IonicContact NH1-OD1 2.83Å; R301-D751 PolarHBondContact NH1-OD1 2.74Å; R301-D751 IonicContact NH1-OD2 2.96Å; R301-D751 PolarHBondContact NH1-OD2 3.24Å; R301-D751 IonicContact NH2-OD1 3.74Å; R301-D751 PolarHBondContact NH2-OD1 2.78Å; R301-D751 IonicContact NH2-OD2 2.69Å; R301-D751 PolarHBondContact NH2-OD2 2.92Å; R747-D751 PolarHBondContact O-N 2.97Å; R747-D751 VanDerWaalsContact O-N 3.09Å; R749-D751 VanDerWaalsContact C-N 3.3Å; R749-D751 PolarHBondContact O-N 2.94Å; D751-W753 PolarHBondContact O-N 3.4Å; D751-W753 PolarHBondContact OD1-N 3.13Å; D751-A754 HydrophobicContact CB-CB 4.23Å; D751-A754 PolarHBondContact O-N 2.87Å; D751-R755 PolarHBondContact O-N 3.26Å; D751-R755 PolarHBondContact O-NH1 3.37Å
752	P	98.6	Very high	98.7	Very high	54 Å²	54	34.6 Å²	34.6	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.8	-176.7	28.4	-34.9	0	0	0	115.9	A750	A750-P752 WeakPolarHBondContact O-CD 3.44Å
753	W	98.7	Very high	98.7	Very high	78 Å²	78	33.4 Å²	33.4	30%	0.295	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	4.2	-177.6	-38.2	114.4	0	0	0	112.2	A300 R301 A586 T604 P623 D751	A300-W753 HydrophobicContact CB-CD2 3.58Å; A300-W753 HydrophobicContact CB-CE3 3.48Å; A300-W753 VanDerWaalsContact CB-CE3 3.48Å; A300-W753 HydrophobicContact CB-CG 4.19Å; A300-W753 HydrophobicContact CB-CH2 4.07Å; A300-W753 HydrophobicContact CB-CZ2 4.18Å; A300-W753 HydrophobicContact CB-CZ3 3.74Å; R301-W753 HydrophobicContact CG-CB 4.38Å; R301-W753 HydrophobicContact CG-CG 4.15Å; A586-W753 HydrophobicContact CB-CH2 3.72Å; A586-W753 HydrophobicContact CB-CZ3 3.88Å; T604-W753 HydrophobicContact CG2-CH2 4.07Å; T604-W753 HydrophobicContact CG2-CZ2 3.94Å; P623-W753 WeakPolarHBondContact CG-O 3.31Å; D751-W753 PolarHBondContact O-N 3.4Å; D751-W753 PolarHBondContact OD1-N 3.13Å
754	A	98.7	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-51.9	175.5	0	0	0	0	0	112.1	R307 F653 W748 D751 G756	R307-A754 HydrophobicContact CG-CB 4.43Å; F653-A754 VanDerWaalsContact CE1-O 3.23Å; F653-A754 WeakPolarHBondContact CE1-O 3.38Å; W748-A754 HydrophobicContact CE3-CB 3.82Å; W748-A754 HydrophobicContact CZ3-CB 4.18Å; D751-A754 HydrophobicContact CB-CB 4.23Å; D751-A754 PolarHBondContact O-N 2.87Å; A754-G756 VanDerWaalsContact C-N 3.27Å; A754-G756 PolarHBondContact O-N 3.33Å
755	R	98.8	Very high	98.7	Very high	65 Å²	65	32.2 Å²	32.2	25%	0.245	17%	0.173	C	C	.	.	S	Bend	trans	60.7	31.8	-176.8	-65	-79.4	-179.7	-111	0.6	113.9	G625 V626 F653 W748 R749 A750 D751	G625-R755 VanDerWaalsContact C-CB 3.42Å; G625-R755 WeakPolarHBondContact O-CB 3.37Å; V626-R755 HydrophobicContact CG2-CG 4.3Å; F653-R755 WeakPolarHBondContact CD1-O 3.5Å; W748-R755 PolarHBondContact O-N 2.8Å; R749-R755 WeakPolarHBondContact CD-O 3.48Å; R749-R755 PolarHBondContact NH1-O 3.11Å; R749-R755 WeakPolarHBondContact O-CA 3.49Å; A750-R755 PolarHBondContact O-NH1 3.46Å; D751-R755 PolarHBondContact O-N 3.26Å; D751-R755 PolarHBondContact O-NH1 3.37Å
756	G	98.6	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	142.5	-178.3	-177.2	0	0	0	0	0	111.6	F653 G654 W748 A754	F653-G756 VanDerWaalsContact CE1-CA 3.45Å; G654-G756 CarbonylContact O-C 3.34Å; G654-G756 VanDerWaalsContact O-CA 3.26Å; G654-G756 WeakPolarHBondContact O-CA 3.38Å; W748-G756 PolarHBondContact O-N 2.95Å; A754-G756 VanDerWaalsContact C-N 3.27Å; A754-G756 PolarHBondContact O-N 3.33Å
757	S	98.6	Very high	98.7	Very high	8 Å²	8	32.5 Å²	32.5	6%	0.056	18%	0.176	C	C	.	.	S	Bend	trans	-85.8	-71.2	-179.7	53.7	0	0	0	0	111.5	R307 A538 G654 N655 L656	R307-S757 WeakPolarHBondContact CD-O 3.17Å; R307-S757 PolarHBondContact NH1-O 3.41Å; A538-S757 WeakPolarHBondContact CB-OG 3.22Å; G654-S757 PolarHBondContact O-N 3.1Å; G654-S757 PolarHBondContact O-OG 3.21Å; N655-S757 VanDerWaalsContact CA-OG 3.22Å; N655-S757 WeakPolarHBondContact CA-OG 3.2Å; N655-S757 PolarHBondContact N-OG 3.44Å; L656-S757 PolarHBondContact N-OG 2.88Å
758	Y	98.8	Very high	98.7	Very high	45 Å²	45	33.2 Å²	33.2	18%	0.176	19%	0.185	C	C	.	.			trans	-157.3	168.6	-176.9	44.6	-103.3	0	0	0	112.4	F535 A536 A538 G654 L656 A806	F535-Y758 PolarHBondContact O-OH 3.3Å; A536-Y758 PolarHBondContact O-OH 2.82Å; A538-Y758 HydrophobicContact CB-CD2 4Å; A538-Y758 HydrophobicContact CB-CE1 4.04Å; A538-Y758 HydrophobicContact CB-CE2 3.39Å; A538-Y758 VanDerWaalsContact CB-CZ 3.42Å; G654-Y758 PolarHBondContact N-O 2.95Å; L656-Y758 HydrophobicContact CD2-CE1 3.46Å; L656-Y758 VanDerWaalsContact CD2-CE1 3.46Å; L656-Y758 VanDerWaalsContact CD2-OH 3.32Å; L656-Y758 WeakPolarHBondContact CD2-OH 3.46Å; Y758-A806 HydrophobicContact CD2-CB 3.43Å; Y758-A806 VanDerWaalsContact CD2-CB 3.43Å; Y758-A806 HydrophobicContact CE2-CB 4.05Å; Y758-A806 HydrophobicContact CG-CB 3.83Å
759	S	98.9	Very high	98.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	154	-178.5	58	0	0	0	0	112.8	G652 Y770 E798	G652-S759 WeakPolarHBondContact O-CA 3.46Å; G652-S759 WeakPolarHBondContact O-CB 3.25Å; S759-Y770 WeakPolarHBondContact OG-CE1 3.26Å; S759-Y770 PolarHBondContact OG-OH 3.09Å; S759-E798 PolarHBondContact N-OE2 2.88Å; S759-E798 PolarHBondContact OG-OE2 2.93Å
760	Y	98.9	Very high	98.7	Very high	35 Å²	35	28.1 Å²	28.1	14%	0.137	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.5	168.1	65.9	-93	0	0	0	109.2	T539 T543 L544 G652 F653 A762	T539-Y760 HydrophobicContact CG2-CD1 3.82Å; T539-Y760 HydrophobicContact CG2-CD2 3.73Å; T539-Y760 HydrophobicContact CG2-CE1 4.11Å; T539-Y760 HydrophobicContact CG2-CE2 3.99Å; T539-Y760 HydrophobicContact CG2-CG 3.63Å; T539-Y760 VanDerWaalsContact OG1-CE1 3.23Å; T539-Y760 WeakPolarHBondContact OG1-CE1 3.44Å; T539-Y760 VanDerWaalsContact OG1-CZ 3.31Å; T543-Y760 WeakPolarHBondContact OG1-CE2 3.21Å; L544-Y760 HydrophobicContact CD2-CD2 3.84Å; L544-Y760 HydrophobicContact CD2-CG 4.27Å; G652-Y760 VanDerWaalsContact CA-CE1 3.42Å; G652-Y760 VanDerWaalsContact CA-CZ 3.4Å; G652-Y760 VanDerWaalsContact CA-O 3.28Å; G652-Y760 WeakPolarHBondContact CA-O 3.47Å; G652-Y760 PolarHBondContact N-O 3.24Å; G652-Y760 PolarHBondContact O-N 3.1Å; G652-Y760 VanDerWaalsContact O-N 3.15Å; F653-Y760 VanDerWaalsContact N-CE1 3.29Å; Y760-A762 HydrophobicContact CD2-CB 4.1Å; Y760-A762 HydrophobicContact CE2-CB 3.52Å; Y760-A762 PolarHBondContact O-N 3.42Å
761	V	98.8	Very high	98.7	Very high	4 Å²	4	28 Å²	28	2%	0.024	16%	0.157	C	C	.	.			trans	-82.5	95.8	176.5	-163.9	0	0	0	0	109.6	S545 H548 Q551 Y770	S545-V761 WeakPolarHBondContact CB-O 3.36Å; S545-V761 PolarHBondContact N-O 2.98Å; H548-V761 HydrophobicContact CB-CG1 3.76Å; H548-V761 VanDerWaalsContact O-CB 3.3Å; H548-V761 WeakPolarHBondContact O-CB 3.39Å; H548-V761 WeakPolarHBondContact O-CG1 3.42Å; H548-V761 VanDerWaalsContact O-CG2 3.3Å; H548-V761 WeakPolarHBondContact O-CG2 3.35Å; Q551-V761 HydrophobicContact CG-CG2 4.28Å; V761-Y770 HydrophobicContact CG2-CE2 4.03Å
762	A	98.9	Very high	98.7	Very high	12 Å²	12	28.6 Å²	28.6	10%	0.099	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-70.5	152.4	-178.7	0	0	0	0	0	112.5	T543 S545 Y760 G764 S765	T543-A762 CarbonylContact O-C 3.54Å; T543-A762 VanDerWaalsContact O-CA 3.25Å; T543-A762 WeakPolarHBondContact O-CA 3.49Å; S545-A762 WeakPolarHBondContact CB-O 3.36Å; Y760-A762 HydrophobicContact CD2-CB 4.1Å; Y760-A762 HydrophobicContact CE2-CB 3.52Å; Y760-A762 PolarHBondContact O-N 3.42Å; A762-G764 PolarHBondContact O-N 3.15Å; A762-S765 WeakPolarHBondContact O-CA 3.41Å; A762-S765 WeakPolarHBondContact O-CB 3.42Å; A762-S765 PolarHBondContact O-N 3.06Å
763	A	98.7	Very high	98.7	Very high	32 Å²	32	26 Å²	26	26%	0.264	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	122.3	170.2	0	0	0	0	0	110.5	P402 T543	P402-A763 HydrophobicContact CB-CB 4.21Å; P402-A763 HydrophobicContact CG-CB 4.09Å; T543-A763 PolarHBondContact O-N 2.84Å
764	G	97.9	Very high	98.7	Very high	45 Å²	45	22.6 Å²	22.6	46%	0.464	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-3.6	-172.7	0	0	0	0	0	115.2	R650 A762	R650-G764 WeakPolarHBondContact CD-O 3.26Å; A762-G764 PolarHBondContact O-N 3.15Å
765	S	98.7	Very high	98.7	Very high	6 Å²	6	27 Å²	27	4%	0.042	15%	0.152	C	C	.	.			trans	-102	167.9	167.9	-164.8	0	0	0	0	109.9	A762 D769	A762-S765 WeakPolarHBondContact O-CA 3.41Å; A762-S765 WeakPolarHBondContact O-CB 3.42Å; A762-S765 PolarHBondContact O-N 3.06Å; S765-D769 PolarHBondContact OG-OD2 3.24Å
766	S	98.7	Very high	98.7	Very high	31 Å²	31	25.1 Å²	25.1	22%	0.217	15%	0.148	C	C	.	.			trans	-148.1	177.6	167.8	70.9	0	0	0	0	111.4	N768 D769	S766-N768 PolarHBondContact O-N 3.22Å; S766-N768 VanDerWaalsContact O-N 3.12Å; S766-N768 PolarHBondContact OG-N 3.23Å; S766-D769 PolarHBondContact O-N 3.5Å
767	G	98.4	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-52.9	-29.4	172.6	0	0	0	0	0	115.2	Q551 D769 Y770 R802	Q551-G767 VanDerWaalsContact OE1-N 3.15Å; G767-D769 PolarHBondContact O-N 3.35Å; G767-Y770 WeakPolarHBondContact O-CB 3.48Å; G767-Y770 PolarHBondContact O-N 2.84Å; G767-R802 WeakPolarHBondContact O-CD 3.48Å
768	N	98.8	Very high	98.7	Very high	79 Å²	79	27.7 Å²	27.7	42%	0.422	16%	0.163	S	C	.	.	H	α-helix	trans	-63.4	-26.5	178.8	-174.5	79.6	0	0	0	112.3	S766 Y770 D771 L772	S766-N768 PolarHBondContact O-N 3.22Å; S766-N768 VanDerWaalsContact O-N 3.12Å; S766-N768 PolarHBondContact OG-N 3.23Å; N768-Y770 VanDerWaalsContact C-N 3.27Å; N768-Y770 PolarHBondContact O-N 3.34Å; N768-D771 WeakPolarHBondContact O-CB 3.36Å; N768-D771 PolarHBondContact O-N 2.84Å; N768-D771 VanDerWaalsContact O-N 3.15Å; N768-L772 WeakPolarHBondContact O-CG 3.39Å; N768-L772 PolarHBondContact O-N 3.39Å
769	D	98.9	Very high	98.6	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-30	175.7	-73.3	-34.3	0	0	0	112	A647 R650 M651 S765 S766 G767 L772 M773	A647-D769 HydrophobicContact CB-CB 4.34Å; R650-D769 IonicContact CZ-OD1 3.15Å; R650-D769 IonicContact CZ-OD2 3.69Å; R650-D769 IonicContact NE-OD1 3.28Å; R650-D769 PolarHBondContact NE-OD1 3.36Å; R650-D769 IonicContact NE-OD2 3.21Å; R650-D769 PolarHBondContact NE-OD2 3.48Å; R650-D769 VanDerWaalsContact NE-OD2 3.08Å; R650-D769 IonicContact NH2-OD1 2.8Å; R650-D769 PolarHBondContact NH2-OD1 3.45Å; R650-D769 IonicContact NH2-OD2 3.24Å; M651-D769 HydrophobicContact CG-CB 3.54Å; M651-D769 HydrophobicContact SD-CB 3.99Å; S765-D769 PolarHBondContact OG-OD2 3.24Å; S766-D769 PolarHBondContact O-N 3.5Å; G767-D769 PolarHBondContact O-N 3.35Å; D769-L772 PolarHBondContact O-N 2.93Å; D769-M773 WeakPolarHBondContact O-CB 3.38Å; D769-M773 VanDerWaalsContact O-CG 3.29Å; D769-M773 WeakPolarHBondContact O-CG 3.42Å; D769-M773 PolarHBondContact O-N 3.12Å
770	Y	98.9	Very high	98.2	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-39.1	170.5	-67.3	-95.6	0	0	0	111.8	M651 S759 V761 G767 N768 M773 A774 P805	M651-Y770 HydrophobicContact CE-CD1 3.37Å; M651-Y770 HydrophobicContact CE-CD2 3.74Å; M651-Y770 HydrophobicContact CE-CE1 3.28Å; M651-Y770 HydrophobicContact CE-CE2 3.69Å; M651-Y770 HydrophobicContact CE-CG 3.59Å; M651-Y770 VanDerWaalsContact CE-CZ 3.47Å; S759-Y770 WeakPolarHBondContact OG-CE1 3.26Å; S759-Y770 PolarHBondContact OG-OH 3.09Å; V761-Y770 HydrophobicContact CG2-CE2 4.03Å; G767-Y770 WeakPolarHBondContact O-CB 3.48Å; G767-Y770 PolarHBondContact O-N 2.84Å; N768-Y770 VanDerWaalsContact C-N 3.27Å; N768-Y770 PolarHBondContact O-N 3.34Å; Y770-M773 WeakPolarHBondContact O-CB 3.47Å; Y770-M773 PolarHBondContact O-N 3.27Å; Y770-A774 PolarHBondContact O-N 3.41Å; Y770-P805 HydrophobicContact CD1-CB 3.99Å; Y770-P805 HydrophobicContact CE1-CB 3.31Å; Y770-P805 HydrophobicContact CE1-CG 4.37Å
771	D	98.8	Very high	97.8	Very high	56 Å²	56	29.8 Å²	29.8	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-66	-44	176	-62.6	-36.5	0	0	0	110.7	N768 M773 A774 Q775 R802	N768-D771 WeakPolarHBondContact O-CB 3.36Å; N768-D771 PolarHBondContact O-N 2.84Å; N768-D771 VanDerWaalsContact O-N 3.15Å; D771-M773 VanDerWaalsContact C-N 3.3Å; D771-M773 PolarHBondContact O-N 3.25Å; D771-A774 WeakPolarHBondContact O-CB 3.37Å; D771-A774 PolarHBondContact O-N 2.97Å; D771-A774 VanDerWaalsContact O-N 3.12Å; D771-Q775 PolarHBondContact O-N 2.98Å; D771-R802 WeakPolarHBondContact OD2-CD 3.47Å; D771-R802 IonicContact OD2-CZ 3.72Å; D771-R802 IonicContact OD2-NE 2.96Å; D771-R802 IonicContact OD2-NH1 3.91Å; D771-R802 PolarHBondContact OD2-NH1 3.13Å
772	L	98.9	Very high	97.2	Very high	40 Å²	40	33.5 Å²	33.5	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-43.2	171.4	-69	177.6	0	0	0	110.5	W643 K644 A647 N768 D769 A774 Q775	W643-L772 HydrophobicContact CE3-CD2 4.21Å; W643-L772 WeakPolarHBondContact CZ3-O 3.34Å; K644-L772 PolarHBondContact NZ-O 3.2Å; A647-L772 HydrophobicContact CB-CB 4.02Å; A647-L772 HydrophobicContact CB-CD1 4.13Å; N768-L772 WeakPolarHBondContact O-CG 3.39Å; N768-L772 PolarHBondContact O-N 3.39Å; D769-L772 PolarHBondContact O-N 2.93Å; L772-A774 VanDerWaalsContact C-N 3.26Å; L772-A774 PolarHBondContact O-N 3.26Å; L772-Q775 PolarHBondContact O-N 3.49Å; L772-Q775 VanDerWaalsContact O-N 3.14Å
773	M	98.9	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-33.9	176.3	-75.5	-52.7	-69.8	0	0	113	L624 L627 K644 A647 I648 M651 D769 Y770 D771 F795 H799 T800	L624-M773 HydrophobicContact CD1-CE 4.4Å; L627-M773 HydrophobicContact CD1-CE 3.72Å; K644-M773 HydrophobicContact CD-CE 4.45Å; K644-M773 HydrophobicContact CD-SD 3.84Å; K644-M773 VanDerWaalsContact NZ-C 3.29Å; K644-M773 PolarHBondContact NZ-O 3.1Å; A647-M773 HydrophobicContact CB-SD 4.35Å; I648-M773 HydrophobicContact CD1-CE 4.25Å; I648-M773 HydrophobicContact CD1-SD 4.4Å; I648-M773 HydrophobicContact CG1-CE 3.62Å; I648-M773 HydrophobicContact CG1-SD 3.49Å; I648-M773 WeakPolarHBondContact CG1-SD 3.29Å; M651-M773 HydrophobicContact CE-CG 4.42Å; M651-M773 HydrophobicContact SD-CB 4.44Å; M651-M773 HydrophobicContact SD-CG 3.33Å; M651-M773 WeakPolarHBondContact SD-CG 3.38Å; M651-M773 HydrophobicContact SD-SD 4.44Å; D769-M773 WeakPolarHBondContact O-CB 3.38Å; D769-M773 VanDerWaalsContact O-CG 3.29Å; D769-M773 WeakPolarHBondContact O-CG 3.42Å; D769-M773 PolarHBondContact O-N 3.12Å; Y770-M773 WeakPolarHBondContact O-CB 3.47Å; Y770-M773 PolarHBondContact O-N 3.27Å; D771-M773 VanDerWaalsContact C-N 3.3Å; D771-M773 PolarHBondContact O-N 3.25Å; M773-F795 WeakPolarHBondContact O-CB 3.21Å; M773-H799 VanDerWaalsContact CB-O 3.31Å; M773-H799 WeakPolarHBondContact CB-O 3.22Å; M773-H799 VanDerWaalsContact CE-CD2 3.46Å; M773-H799 WeakPolarHBondContact CE-CD2 3.49Å; M773-T800 HydrophobicContact CB-CG2 4.2Å
774	A	98.9	Very high	95.9	Very high	6 Å²	6	43.2 Å²	43.2	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-75.3	-18	176.3	0	0	0	0	0	115.1	Y770 D771 L772 T800 R821	Y770-A774 PolarHBondContact O-N 3.41Å; D771-A774 WeakPolarHBondContact O-CB 3.37Å; D771-A774 PolarHBondContact O-N 2.97Å; D771-A774 VanDerWaalsContact O-N 3.12Å; L772-A774 VanDerWaalsContact C-N 3.26Å; L772-A774 PolarHBondContact O-N 3.26Å; A774-T800 WeakPolarHBondContact CB-O 3.42Å; A774-R821 PolarHBondContact O-NH1 3.48Å
775	Q	98.8	Very high	95.2	Very high	94 Å²	94	45 Å²	45	44%	0.439	30%	0.298	S	S	.	.			trans	-65.8	131.2	-178.6	-70.4	-61.4	-31	0	0	111.5	W643 K644 D771 L772	W643-Q775 HydrophobicContact CH2-CB 3.62Å; W643-Q775 HydrophobicContact CZ3-CB 3.81Å; K644-Q775 PolarHBondContact NZ-O 3.46Å; D771-Q775 PolarHBondContact O-N 2.98Å; L772-Q775 PolarHBondContact O-N 3.49Å; L772-Q775 VanDerWaalsContact O-N 3.14Å
776	P	98.8	Very high	94.7	Very high	25 Å²	25	47.2 Å²	47.2	16%	0.162	32%	0.316	C	S	.	.			trans	-74.7	163.6	177.3	34.3	-35.7	0	0	0	111.2	P791 L793 F794	P776-P791 HydrophobicContact CB-CB 4.02Å; P776-P791 HydrophobicContact CG-CB 4.19Å; P776-L793 CarbonylContact C-O 3.5Å; P776-L793 WeakPolarHBondContact CA-O 3.37Å; P776-F794 HydrophobicContact CB-CD1 3.67Å; P776-F794 HydrophobicContact CB-CE1 3.88Å; P776-F794 HydrophobicContact CB-CG 4.21Å; P776-F794 HydrophobicContact CG-CD1 4.46Å; P776-F794 HydrophobicContact CG-CE1 4.38Å
777	I	98.7	Very high	94.1	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.046	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-107	125.9	177.4	-50.8	-62.8	0	0	0	109.5	Y592 L640 P641 W643 R792 L793 F795	Y592-I777 HydrophobicContact CD2-CG2 4.36Å; Y592-I777 HydrophobicContact CE2-CG2 3.61Å; L640-I777 HydrophobicContact CD2-CG1 4.35Å; P641-I777 HydrophobicContact CG-CD1 3.76Å; W643-I777 HydrophobicContact CH2-CD1 3.5Å; W643-I777 HydrophobicContact CZ2-CD1 3.36Å; I777-R792 PolarHBondContact O-N 3.43Å; I777-L793 HydrophobicContact CB-CB 4.18Å; I777-L793 HydrophobicContact CG1-CD2 4.35Å; I777-L793 PolarHBondContact N-O 3.09Å; I777-L793 PolarHBondContact O-N 3.27Å; I777-F795 HydrophobicContact CG1-CE2 3.79Å
778	T	98.4	Very high	93.6	Very high	52 Å²	52	59 Å²	59	32%	0.319	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-101.2	120.9	172.2	-58.4	0	0	0	0	109	P789 P791	T778-P789 HydrophobicContact CG2-CB 4.31Å; T778-P789 WeakPolarHBondContact CG2-O 3.33Å; T778-P791 WeakPolarHBondContact OG1-CA 3.38Å; T778-P791 WeakPolarHBondContact OG1-CG 3.45Å
779	P	96.1	Very high	93.4	Very high	8 Å²	8	56.2 Å²	56.2	5%	0.052	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.1	156.6	175	27.5	-32	0	0	0	111	Y592 T593 P789 R792	Y592-P779 HydrophobicContact CD2-CB 4.16Å; T593-P779 VanDerWaalsContact C-CG 3.43Å; T593-P779 WeakPolarHBondContact O-CG 3.44Å; P779-P789 HydrophobicContact CG-CB 4.36Å; P779-P789 WeakPolarHBondContact O-CG 3.24Å; P779-R792 HydrophobicContact CG-CB 4.31Å; P779-R792 HydrophobicContact CG-CG 3.75Å
780	G	91.3	Very high	93.2	Very high	56 Å²	56	58.3 Å²	58.3	58%	0.577	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-62.1	158.4	168.4	0	0	0	0	0	112
781	P	90.3	Very high	93.2	Very high	63 Å²	63	59.2 Å²	59.2	41%	0.409	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-62.7	139.8	178	28.3	-34.7	0	0	0	110.7	I783 A786 P789	P781-I783 VanDerWaalsContact C-N 3.27Å; P781-I783 PolarHBondContact O-N 3.36Å; P781-A786 HydrophobicContact CB-CB 4.2Å; P781-P789 HydrophobicContact CB-CG 4.35Å
782	A	85.1	Confident	93.2	Very high	83 Å²	83	57.7 Å²	57.7	69%	0.686	38%	0.375	S	S	*	.	S	Bend	trans	-67.9	-30	177.7	0	0	0	0	0	112.5	A594	A594-A782 HydrophobicContact CB-CB 3.96Å
783	I	85.8	Confident	93.2	Very high	122 Å²	122	55.8 Å²	55.8	63%	0.626	37%	0.366	S	S	*	.	S	Bend	trans	-116.8	125.1	177.5	-58.1	168.5	0	0	0	107	P781 G785 A786	P781-I783 VanDerWaalsContact C-N 3.27Å; P781-I783 PolarHBondContact O-N 3.36Å; I783-G785 PolarHBondContact O-N 3.21Å; I783-A786 HydrophobicContact CB-CB 4.23Å; I783-A786 VanDerWaalsContact O-CB 3.29Å; I783-A786 WeakPolarHBondContact O-CB 3.43Å; I783-A786 PolarHBondContact O-N 2.96Å
784	P	84.1	Confident	93.2	Very high	126 Å²	126	55.9 Å²	55.9	82%	0.818	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.1	174.9	-25.7	34.5	0	0	0	111.2
785	G	84.6	Confident	93.2	Very high	83 Å²	83	55.6 Å²	55.6	86%	0.856	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-1.6	-177.8	0	0	0	0	0	115.9	I783	I783-G785 PolarHBondContact O-N 3.21Å
786	A	87.6	Confident	93.2	Very high	51 Å²	51	51.1 Å²	51.1	42%	0.421	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-67.5	161.1	170.2	0	0	0	0	0	112	P781 I783	P781-A786 HydrophobicContact CB-CB 4.2Å; I783-A786 HydrophobicContact CB-CB 4.23Å; I783-A786 VanDerWaalsContact O-CB 3.29Å; I783-A786 WeakPolarHBondContact O-CB 3.43Å; I783-A786 PolarHBondContact O-N 2.96Å
787	S	86.3	Confident	93.2	Very high	107 Å²	107	50 Å²	50	75%	0.748	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-57.4	152.2	174.1	52.8	0	0	0	0	111.7	P789	S787-P789 WeakPolarHBondContact O-CD 3.38Å
788	Q	88.6	Confident	93.2	Very high	171 Å²	171	49.9 Å²	49.9	80%	0.799	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-58.1	124.6	-179.9	-170.7	169.7	-2	0	0	110.2
789	P	92.8	Very high	93.2	Very high	21 Å²	21	47.4 Å²	47.4	14%	0.136	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.6	160.8	177.8	-23.9	35.4	0	0	0	112.2	A594 T778 P779 P781 S787	A594-P789 HydrophobicContact CB-CB 4.01Å; A594-P789 HydrophobicContact CB-CG 3.72Å; T778-P789 HydrophobicContact CG2-CB 4.31Å; T778-P789 WeakPolarHBondContact CG2-O 3.33Å; P779-P789 HydrophobicContact CG-CB 4.36Å; P779-P789 WeakPolarHBondContact O-CG 3.24Å; P781-P789 HydrophobicContact CB-CG 4.35Å; S787-P789 WeakPolarHBondContact O-CD 3.38Å
790	V	95.9	Very high	93.3	Very high	49 Å²	49	47 Å²	47	30%	0.297	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73.9	153.3	169.4	-61	0	0	0	0	110.9	Q825 F826	V790-Q825 HydrophobicContact CB-CG 4.36Å; V790-F826 HydrophobicContact CG2-CE1 4.27Å; V790-F826 HydrophobicContact CG2-CZ 4.24Å
791	P	98.2	Very high	93.7	Very high	22 Å²	22	45.5 Å²	45.5	14%	0.143	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-57.9	141.5	171.5	-18.9	29.5	0	0	0	111.8	P776 T778 F794	P776-P791 HydrophobicContact CB-CB 4.02Å; P776-P791 HydrophobicContact CG-CB 4.19Å; T778-P791 WeakPolarHBondContact OG1-CA 3.38Å; T778-P791 WeakPolarHBondContact OG1-CG 3.45Å; P791-F794 HydrophobicContact CB-CE1 4.25Å; P791-F794 HydrophobicContact CB-CE2 4.36Å; P791-F794 HydrophobicContact CB-CZ 3.79Å
792	R	98.6	Very high	94.1	Very high	24 Å²	24	46.9 Å²	46.9	9%	0.091	29%	0.293	C	S	.	.			trans	-123.7	-29.5	-173	-68.9	-63.1	-174	179.3	-0.7	114.1	T593 A594 D616 A617 V618 I777 P779	T593-R792 WeakPolarHBondContact O-CG 3.02Å; A594-R792 PolarHBondContact O-NE 2.91Å; A594-R792 PolarHBondContact O-NH2 3.47Å; D616-R792 WeakPolarHBondContact O-CD 3.36Å; D616-R792 PolarHBondContact O-NH1 3.38Å; A617-R792 WeakPolarHBondContact CA-O 3.35Å; V618-R792 PolarHBondContact N-O 3.2Å; I777-R792 PolarHBondContact O-N 3.43Å; P779-R792 HydrophobicContact CG-CB 4.31Å; P779-R792 HydrophobicContact CG-CG 3.75Å
793	L	98.9	Very high	94.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.1	-179.1	175.5	65.7	0	0	0	109.8	V590 Y592 V618 C620 F636 L640 P776 I777 F795	V590-L793 HydrophobicContact CG1-CD1 4.16Å; Y592-L793 HydrophobicContact CD1-CD2 3.94Å; Y592-L793 HydrophobicContact CE1-CD2 3.83Å; Y592-L793 HydrophobicContact CG-CB 4.41Å; V618-L793 HydrophobicContact CB-CD1 3.89Å; V618-L793 HydrophobicContact CG1-CD1 3.79Å; V618-L793 WeakPolarHBondContact O-CA 3.43Å; C620-L793 HydrophobicContact CB-CD1 4.08Å; F636-L793 HydrophobicContact CD1-CD2 3.71Å; F636-L793 HydrophobicContact CE1-CD1 4.43Å; F636-L793 HydrophobicContact CE1-CD2 3.77Å; L640-L793 HydrophobicContact CD2-CD2 3.82Å; P776-L793 CarbonylContact C-O 3.5Å; P776-L793 WeakPolarHBondContact CA-O 3.37Å; I777-L793 HydrophobicContact CB-CB 4.18Å; I777-L793 HydrophobicContact CG1-CD2 4.35Å; I777-L793 PolarHBondContact N-O 3.09Å; I777-L793 PolarHBondContact O-N 3.27Å; L793-F795 HydrophobicContact CD2-CE2 3.93Å; L793-F795 HydrophobicContact CD2-CZ 3.78Å; L793-F795 HydrophobicContact CG-CE2 3.72Å; L793-F795 HydrophobicContact CG-CZ 3.93Å
794	F	98.9	Very high	95.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	159.2	-177	-63.3	-98.9	0	0	0	110.2	A617 V618 L619 C620 P776 P791 E818 R821 I822 F826	A617-F794 HydrophobicContact CB-CD2 4.27Å; A617-F794 HydrophobicContact CB-CE2 4.02Å; V618-F794 PolarHBondContact O-N 3.18Å; L619-F794 HydrophobicContact CD1-CB 3.81Å; C620-F794 PolarHBondContact N-O 2.74Å; P776-F794 HydrophobicContact CB-CD1 3.67Å; P776-F794 HydrophobicContact CB-CE1 3.88Å; P776-F794 HydrophobicContact CB-CG 4.21Å; P776-F794 HydrophobicContact CG-CD1 4.46Å; P776-F794 HydrophobicContact CG-CE1 4.38Å; P791-F794 HydrophobicContact CB-CE1 4.25Å; P791-F794 HydrophobicContact CB-CE2 4.36Å; P791-F794 HydrophobicContact CB-CZ 3.79Å; F794-E818 WeakPolarHBondContact CD1-OE2 3.46Å; F794-R821 HydrophobicContact CD1-CG 4.49Å; F794-R821 HydrophobicContact CE1-CG 4.09Å; F794-I822 HydrophobicContact CB-CD1 4.08Å; F794-I822 HydrophobicContact CB-CG1 4.34Å; F794-I822 HydrophobicContact CD1-CD1 4.39Å; F794-I822 HydrophobicContact CD1-CG1 3.73Å; F794-I822 HydrophobicContact CD2-CD1 4.04Å; F794-I822 HydrophobicContact CD2-CG1 3.74Å; F794-I822 HydrophobicContact CE1-CG1 3.87Å; F794-I822 HydrophobicContact CE2-CG1 3.9Å; F794-I822 HydrophobicContact CG-CD1 3.92Å; F794-I822 HydrophobicContact CG-CG1 3.66Å; F794-I822 HydrophobicContact CZ-CG1 3.95Å; F794-F826 HydrophobicContact CE2-CE2 4.09Å; F794-F826 HydrophobicContact CZ-CE2 4.23Å
795	F	98.9	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.1	-176	-70.6	-93	0	0	0	111.4	C620 L640 M773 I777 L793 T800 R817 E818	C620-F795 HydrophobicContact CB-CD1 3.89Å; C620-F795 HydrophobicContact CB-CE1 3.86Å; C620-F795 HydrophobicContact CB-CZ 4.48Å; C620-F795 WeakPolarHBondContact O-CA 3.38Å; L640-F795 HydrophobicContact CD1-CZ 4.47Å; L640-F795 HydrophobicContact CD2-CZ 4.07Å; M773-F795 WeakPolarHBondContact O-CB 3.21Å; I777-F795 HydrophobicContact CG1-CE2 3.79Å; L793-F795 HydrophobicContact CD2-CE2 3.93Å; L793-F795 HydrophobicContact CD2-CZ 3.78Å; L793-F795 HydrophobicContact CG-CE2 3.72Å; L793-F795 HydrophobicContact CG-CZ 3.93Å; F795-T800 HydrophobicContact CB-CG2 4.35Å; F795-R817 PolarHBondContact O-NH2 3.46Å; F795-R817 VanDerWaalsContact O-NH2 3.08Å; F795-E818 VanDerWaalsContact O-CD 3.3Å; F795-E818 WeakPolarHBondContact O-CG 3.46Å
796	A	98.9	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.			trans	-130.8	172.8	170.5	0	0	0	0	0	110.2	L619 C620 T621 T800 E818	L619-A796 HydrophobicContact CD1-CB 3.87Å; C620-A796 PolarHBondContact O-N 3.44Å; C620-A796 VanDerWaalsContact O-N 3.09Å; T621-A796 WeakPolarHBondContact CA-O 3.43Å; T621-A796 HydrophobicContact CG2-CB 4.04Å; A796-T800 WeakPolarHBondContact CA-OG1 3.46Å; A796-E818 HydrophobicContact CB-CB 4.29Å; A796-E818 HydrophobicContact CB-CG 3.72Å
797	G	98.8	Very high	97.3	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	124.6	165.7	-174.4	0	0	0	0	0	111.1	H799 T800 S814	G797-H799 PolarHBondContact O-N 2.96Å; G797-T800 PolarHBondContact N-OG1 3.18Å; G797-T800 WeakPolarHBondContact O-CB 3.41Å; G797-T800 PolarHBondContact O-N 3.45Å; G797-T800 PolarHBondContact O-OG1 3.35Å; G797-S814 WeakPolarHBondContact CA-OG 3.48Å; G797-S814 PolarHBondContact N-OG 3.03Å; G797-S814 PolarHBondContact O-OG 3.44Å
798	E	98.8	Very high	97.9	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.028	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-56.8	-34.1	-178.3	56.4	79.8	-155.5	0	0	113.3	R307 S759 T800 A806 A811	R307-E798 IonicContact CZ-OE1 3.56Å; R307-E798 IonicContact NH1-OE1 2.67Å; R307-E798 PolarHBondContact NH1-OE1 2.86Å; R307-E798 IonicContact NH2-OE1 3.98Å; R307-E798 PolarHBondContact NH2-OE1 3.25Å; S759-E798 PolarHBondContact N-OE2 2.88Å; S759-E798 PolarHBondContact OG-OE2 2.93Å; E798-T800 PolarHBondContact O-N 3.24Å; E798-A806 WeakPolarHBondContact OE2-CA 3.47Å; E798-A806 PolarHBondContact OE2-N 3.43Å; E798-A811 HydrophobicContact CB-CB 4.33Å
799	H	98.9	Very high	98.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-76.8	13.9	176.6	67.6	-83.1	0	0	0	114.2	L622 L624 M651 M773 G797	L622-H799 PolarHBondContact O-CE1 2.59Å; L624-H799 HydrophobicContact CB-CB 3.89Å; L624-H799 HydrophobicContact CD2-CB 4.3Å; M651-H799 HydrophobicContact CE-CB 4.34Å; M773-H799 VanDerWaalsContact CB-O 3.31Å; M773-H799 WeakPolarHBondContact CB-O 3.22Å; M773-H799 VanDerWaalsContact CE-CD2 3.46Å; M773-H799 WeakPolarHBondContact CE-CD2 3.49Å; G797-H799 PolarHBondContact O-N 2.96Å
800	T	98.9	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-126.1	9.1	-178.1	75.3	0	0	0	0	112.7	M773 A774 F795 A796 G797 E798 S814 R817	M773-T800 HydrophobicContact CB-CG2 4.2Å; A774-T800 WeakPolarHBondContact CB-O 3.42Å; F795-T800 HydrophobicContact CB-CG2 4.35Å; A796-T800 WeakPolarHBondContact CA-OG1 3.46Å; G797-T800 PolarHBondContact N-OG1 3.18Å; G797-T800 WeakPolarHBondContact O-CB 3.41Å; G797-T800 PolarHBondContact O-N 3.45Å; G797-T800 PolarHBondContact O-OG1 3.35Å; E798-T800 PolarHBondContact O-N 3.24Å; T800-S814 WeakPolarHBondContact OG1-CB 3.43Å; T800-R817 PolarHBondContact O-NH1 3.22Å; T800-R817 PolarHBondContact O-NH2 2.88Å; T800-R817 PolarHBondContact OG1-NH2 2.85Å
801	I	98.9	Very high	98.8	Very high	24 Å²	24	17.8 Å²	17.8	12%	0.123	9%	0.094	C	C	.	.			trans	-129	113.3	-179.9	-176	165.2	0	0	0	109.2	N803 Y804 L813	I801-N803 PolarHBondContact O-N 3.5Å; I801-Y804 HydrophobicContact CD1-CD2 4.09Å; I801-Y804 HydrophobicContact CG1-CD2 4.48Å; I801-Y804 WeakPolarHBondContact CG2-O 3.48Å; I801-L813 HydrophobicContact CD1-CB 3.57Å; I801-L813 HydrophobicContact CD1-CD1 4.14Å
802	R	98.8	Very high	98.8	Very high	91 Å²	91	16.8 Å²	16.8	34%	0.343	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-40.8	-169.6	176.7	172.6	178.8	167.1	-3	114.3	Q551 G767 D771 P805	Q551-R802 PolarHBondContact NE2-O 3.19Å; G767-R802 WeakPolarHBondContact O-CD 3.48Å; D771-R802 WeakPolarHBondContact OD2-CD 3.47Å; D771-R802 IonicContact OD2-CZ 3.72Å; D771-R802 IonicContact OD2-NE 2.96Å; D771-R802 IonicContact OD2-NH1 3.91Å; D771-R802 PolarHBondContact OD2-NH1 3.13Å; R802-P805 WeakPolarHBondContact O-CD 3.46Å
803	N	98.6	Very high	98.9	Very high	56 Å²	56	16.8 Å²	16.8	30%	0.299	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.7	-171.5	-59.3	17	0	0	0	113.1	F555 I801	F555-N803 HydrophobicContact CB-CB 4.44Å; F555-N803 HydrophobicContact CD1-CB 4.22Å; F555-N803 HydrophobicContact CD2-CB 3.8Å; F555-N803 HydrophobicContact CE1-CB 4.49Å; F555-N803 WeakPolarHBondContact CE1-ND2 3.47Å; F555-N803 HydrophobicContact CE2-CB 4.09Å; F555-N803 HydrophobicContact CG-CB 3.88Å; F555-N803 HydrophobicContact CZ-CB 4.42Å; F555-N803 WeakPolarHBondContact CZ-ND2 3.3Å; I801-N803 PolarHBondContact O-N 3.5Å
804	Y	98.8	Very high	98.9	Very high	27 Å²	27	16.8 Å²	16.8	11%	0.106	9%	0.089	C	C	.	.	S	Bend	trans	-142.1	48.3	-178.5	-57.9	-73.6	0	0	0	111	R173 F555 F557 I801 T807 H809 G810 L813	R173-Y804 WeakPolarHBondContact CD-OH 3.47Å; F555-Y804 HydrophobicContact CB-CE1 3.85Å; F555-Y804 WeakPolarHBondContact O-CE1 3.42Å; F557-Y804 HydrophobicContact CD1-CE1 4.43Å; F557-Y804 HydrophobicContact CE1-CD1 4.43Å; F557-Y804 AromaticContact CE1-CE1 3.53Å; F557-Y804 HydrophobicContact CE1-CE1 3.53Å; F557-Y804 AromaticContact CE1-CZ 3.88Å; F557-Y804 HydrophobicContact CE2-CD1 4.21Å; F557-Y804 HydrophobicContact CE2-CE1 4.06Å; F557-Y804 AromaticContact CZ-CD1 3.79Å; F557-Y804 HydrophobicContact CZ-CD1 3.79Å; F557-Y804 AromaticContact CZ-CE1 3.31Å; F557-Y804 HydrophobicContact CZ-CE1 3.31Å; F557-Y804 AromaticContact CZ-CZ 3.88Å; I801-Y804 HydrophobicContact CD1-CD2 4.09Å; I801-Y804 HydrophobicContact CG1-CD2 4.48Å; I801-Y804 WeakPolarHBondContact CG2-O 3.48Å; Y804-T807 PolarHBondContact O-OG1 3.29Å; Y804-T807 VanDerWaalsContact O-OG1 3.05Å; Y804-H809 AromaticContact CD1-CD2 3.87Å; Y804-H809 AromaticContact CD1-NE2 3.82Å; Y804-G810 WeakPolarHBondContact O-CA 3.41Å; Y804-L813 HydrophobicContact CD2-CD1 3.86Å; Y804-L813 HydrophobicContact CE2-CD1 4.23Å; Y804-L813 HydrophobicContact CG-CD1 4.4Å
805	P	98.8	Very high	98.9	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.032	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	172.8	-179.2	33.8	-37.3	0	0	0	110.8	D552 Y770 R802 T807	D552-P805 HydrophobicContact CB-CG 4.4Å; D552-P805 WeakPolarHBondContact OD2-CD 3.32Å; D552-P805 WeakPolarHBondContact OD2-CG 3.2Å; Y770-P805 HydrophobicContact CD1-CB 3.99Å; Y770-P805 HydrophobicContact CE1-CB 3.31Å; Y770-P805 HydrophobicContact CE1-CG 4.37Å; R802-P805 WeakPolarHBondContact O-CD 3.46Å; P805-T807 VanDerWaalsContact O-CG2 3.23Å; P805-T807 WeakPolarHBondContact O-CG2 3.23Å; P805-T807 PolarHBondContact O-N 3.43Å; P805-T807 PolarHBondContact O-OG1 2.86Å
806	A	98.8	Very high	98.9	Very high	33 Å²	33	17.1 Å²	17.1	27%	0.273	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-0.3	170.8	0	0	0	0	0	118.5	Y758 E798	Y758-A806 HydrophobicContact CD2-CB 3.43Å; Y758-A806 VanDerWaalsContact CD2-CB 3.43Å; Y758-A806 HydrophobicContact CE2-CB 4.05Å; Y758-A806 HydrophobicContact CG-CB 3.83Å; E798-A806 WeakPolarHBondContact OE2-CA 3.47Å; E798-A806 PolarHBondContact OE2-N 3.43Å
807	T	98.9	Very high	98.9	Very high	39 Å²	39	19.7 Å²	19.7	24%	0.239	10%	0.1	C	C	.	.	S	Bend	trans	-116.8	162.1	-168.6	62.3	0	0	0	0	113.7	Y804 P805 H809 G810 A811	Y804-T807 PolarHBondContact O-OG1 3.29Å; Y804-T807 VanDerWaalsContact O-OG1 3.05Å; P805-T807 VanDerWaalsContact O-CG2 3.23Å; P805-T807 WeakPolarHBondContact O-CG2 3.23Å; P805-T807 PolarHBondContact O-N 3.43Å; P805-T807 PolarHBondContact O-OG1 2.86Å; T807-H809 WeakPolarHBondContact CB-CE1 3.34Å; T807-H809 WeakPolarHBondContact CB-NE2 3.24Å; T807-H809 WeakPolarHBondContact CG2-CE1 3.41Å; T807-H809 WeakPolarHBondContact CG2-NE2 3.45Å; T807-H809 PolarHBondContact OG1-CD2 2.96Å; T807-H809 PolarHBondContact OG1-CE1 2.93Å; T807-H809 PolarHBondContact OG1-NE2 3.36Å; T807-G810 WeakPolarHBondContact OG1-CA 3.17Å; T807-G810 PolarHBondContact OG1-N 3.05Å; T807-A811 PolarHBondContact O-N 2.99Å
808	V	98.9	Very high	98.9	Very high	18 Å²	18	19.6 Å²	19.6	11%	0.109	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-43.1	172.8	175.8	0	0	0	0	111.2	V279 V308 A322 M333 Y568 A811 L812	V279-V808 HydrophobicContact CG1-CG1 4.17Å; V279-V808 HydrophobicContact CG2-CG1 4.16Å; V308-V808 HydrophobicContact CG2-CG2 3.93Å; A322-V808 HydrophobicContact CB-CG2 3.39Å; M333-V808 HydrophobicContact SD-CG1 4.08Å; Y568-V808 HydrophobicContact CE2-CG1 3.94Å; Y568-V808 HydrophobicContact CE2-CG2 4.46Å; V808-A811 PolarHBondContact O-N 3.11Å; V808-L812 WeakPolarHBondContact O-CB 3.45Å; V808-L812 PolarHBondContact O-N 3.3Å
809	H	98.8	Very high	98.9	Very high	13 Å²	13	19.3 Å²	19.3	6%	0.06	10%	0.098	C	C	.	.	H	α-helix	trans	-67.6	-36.5	179.1	53.2	-101.7	0	0	0	111.5	T326 N331 P332 M333 F557 Y804 T807 L812 L813	T326-H809 PolarHBondContact OG1-CE1 3.04Å; T326-H809 VanDerWaalsContact OG1-CE1 3.24Å; N331-H809 WeakPolarHBondContact OD1-CB 3.44Å; P332-H809 HydrophobicContact CG-CB 3.87Å; M333-H809 HydrophobicContact CG-CB 4.05Å; F557-H809 HydrophobicContact CE2-CB 4.44Å; F557-H809 AromaticContact CE2-CD2 3.48Å; F557-H809 VanDerWaalsContact CE2-CD2 3.48Å; F557-H809 WeakPolarHBondContact CE2-CD2 3.42Å; F557-H809 AromaticContact CE2-CE1 3.85Å; F557-H809 AromaticContact CE2-CG 3.76Å; F557-H809 AromaticContact CE2-ND1 3.98Å; F557-H809 AromaticContact CE2-NE2 3.57Å; Y804-H809 AromaticContact CD1-CD2 3.87Å; Y804-H809 AromaticContact CD1-NE2 3.82Å; T807-H809 WeakPolarHBondContact CB-CE1 3.34Å; T807-H809 WeakPolarHBondContact CB-NE2 3.24Å; T807-H809 WeakPolarHBondContact CG2-CE1 3.41Å; T807-H809 WeakPolarHBondContact CG2-NE2 3.45Å; T807-H809 PolarHBondContact OG1-CD2 2.96Å; T807-H809 PolarHBondContact OG1-CE1 2.93Å; T807-H809 PolarHBondContact OG1-NE2 3.36Å; H809-L812 WeakPolarHBondContact O-CB 3.41Å; H809-L812 PolarHBondContact O-N 3.42Å; H809-L813 WeakPolarHBondContact O-CB 3.45Å; H809-L813 VanDerWaalsContact O-CG 3.27Å; H809-L813 WeakPolarHBondContact O-CG 3.25Å; H809-L813 PolarHBondContact O-N 3.35Å
810	G	98.9	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-47.4	170.4	0	0	0	0	0	112.9	Y804 T807 L812 L813 S814	Y804-G810 WeakPolarHBondContact O-CA 3.41Å; T807-G810 WeakPolarHBondContact OG1-CA 3.17Å; T807-G810 PolarHBondContact OG1-N 3.05Å; G810-L812 VanDerWaalsContact C-N 3.33Å; G810-L812 PolarHBondContact O-N 3.04Å; G810-L813 PolarHBondContact O-N 3.42Å; G810-S814 WeakPolarHBondContact O-CB 3.24Å; G810-S814 PolarHBondContact O-N 3.38Å; G810-S814 PolarHBondContact O-OG 3.25Å
811	A	98.9	Very high	98.9	Very high	11 Å²	11	22.7 Å²	22.7	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-46.1	173.8	0	0	0	0	0	111.6	S280 E798 T807 V808 S814 G815	S280-A811 WeakPolarHBondContact CA-O 3.4Å; S280-A811 WeakPolarHBondContact CB-O 3.49Å; E798-A811 HydrophobicContact CB-CB 4.33Å; T807-A811 PolarHBondContact O-N 2.99Å; V808-A811 PolarHBondContact O-N 3.11Å; A811-S814 PolarHBondContact O-N 3.17Å; A811-S814 PolarHBondContact O-OG 2.91Å; A811-G815 PolarHBondContact O-N 2.9Å; A811-G815 VanDerWaalsContact O-N 3.13Å
812	L	98.9	Very high	98.9	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-55.8	-54.3	175.8	-174.8	105.7	0	0	0	111.2	F255 V279 A283 P332 V336 L575 V808 H809 G810 S814 G815 L816	F255-L812 HydrophobicContact CE2-CD2 4.31Å; V279-L812 HydrophobicContact CG1-CB 3.91Å; V279-L812 HydrophobicContact CG1-CD1 3.93Å; A283-L812 HydrophobicContact CB-CD1 4.19Å; A283-L812 HydrophobicContact CB-CG 4.32Å; P332-L812 HydrophobicContact CB-CD2 3.67Å; P332-L812 HydrophobicContact CG-CD2 3.84Å; V336-L812 HydrophobicContact CG2-CD1 4.34Å; L575-L812 HydrophobicContact CD1-CD1 4.43Å; V808-L812 WeakPolarHBondContact O-CB 3.45Å; V808-L812 PolarHBondContact O-N 3.3Å; H809-L812 WeakPolarHBondContact O-CB 3.41Å; H809-L812 PolarHBondContact O-N 3.42Å; G810-L812 VanDerWaalsContact C-N 3.33Å; G810-L812 PolarHBondContact O-N 3.04Å; L812-S814 VanDerWaalsContact C-N 3.35Å; L812-S814 PolarHBondContact O-N 3.3Å; L812-G815 PolarHBondContact O-N 2.91Å; L812-G815 VanDerWaalsContact O-N 3.08Å; L812-L816 HydrophobicContact CD2-CD1 4.36Å; L812-L816 WeakPolarHBondContact O-CG 3.44Å; L812-L816 PolarHBondContact O-N 3.44Å; L812-L816 VanDerWaalsContact O-N 3.08Å
813	L	98.9	Very high	98.9	Very high	24 Å²	24	17.2 Å²	17.2	13%	0.126	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-41.3	-179.5	-70.4	170.9	0	0	0	112.4	P332 I801 Y804 H809 G810 G815 L816 R817	P332-L813 HydrophobicContact CB-CD2 4.34Å; P332-L813 HydrophobicContact CG-CD1 4.2Å; P332-L813 HydrophobicContact CG-CD2 4.04Å; P332-L813 HydrophobicContact CG-CG 3.98Å; I801-L813 HydrophobicContact CD1-CB 3.57Å; I801-L813 HydrophobicContact CD1-CD1 4.14Å; Y804-L813 HydrophobicContact CD2-CD1 3.86Å; Y804-L813 HydrophobicContact CE2-CD1 4.23Å; Y804-L813 HydrophobicContact CG-CD1 4.4Å; H809-L813 WeakPolarHBondContact O-CB 3.45Å; H809-L813 VanDerWaalsContact O-CG 3.27Å; H809-L813 WeakPolarHBondContact O-CG 3.25Å; H809-L813 PolarHBondContact O-N 3.35Å; G810-L813 PolarHBondContact O-N 3.42Å; L813-G815 VanDerWaalsContact C-N 3.26Å; L813-G815 PolarHBondContact O-N 3.46Å; L813-L816 PolarHBondContact O-N 2.92Å; L813-R817 WeakPolarHBondContact O-CB 3.41Å; L813-R817 PolarHBondContact O-N 2.74Å
814	S	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-34.7	176.1	73.7	0	0	0	0	112.5	G797 T800 G810 A811 L812 E818	G797-S814 WeakPolarHBondContact CA-OG 3.48Å; G797-S814 PolarHBondContact N-OG 3.03Å; G797-S814 PolarHBondContact O-OG 3.44Å; T800-S814 WeakPolarHBondContact OG1-CB 3.43Å; G810-S814 WeakPolarHBondContact O-CB 3.24Å; G810-S814 PolarHBondContact O-N 3.38Å; G810-S814 PolarHBondContact O-OG 3.25Å; A811-S814 PolarHBondContact O-N 3.17Å; A811-S814 PolarHBondContact O-OG 2.91Å; L812-S814 VanDerWaalsContact C-N 3.35Å; L812-S814 PolarHBondContact O-N 3.3Å; S814-E818 PolarHBondContact O-N 2.99Å; S814-E818 VanDerWaalsContact O-N 3.1Å
815	G	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-44.5	174.6	0	0	0	0	0	112.3	S280 A284 A811 L812 L813 R817 A819	S280-G815 VanDerWaalsContact O-CA 3.31Å; S280-G815 WeakPolarHBondContact O-CA 3.45Å; A284-G815 WeakPolarHBondContact CA-O 3.5Å; A284-G815 VanDerWaalsContact CB-O 3.31Å; A284-G815 WeakPolarHBondContact CB-O 3.44Å; A811-G815 PolarHBondContact O-N 2.9Å; A811-G815 VanDerWaalsContact O-N 3.13Å; L812-G815 PolarHBondContact O-N 2.91Å; L812-G815 VanDerWaalsContact O-N 3.08Å; L813-G815 VanDerWaalsContact C-N 3.26Å; L813-G815 PolarHBondContact O-N 3.46Å; G815-R817 VanDerWaalsContact C-N 3.34Å; G815-R817 PolarHBondContact O-N 3.38Å; G815-A819 WeakPolarHBondContact O-CB 3.41Å; G815-A819 PolarHBondContact O-N 3.03Å
816	L	98.9	Very high	98.8	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-43	175	-58.7	179	0	0	0	111.3	F255 A283 Q287 L812 L813 A819 G820	F255-L816 HydrophobicContact CB-CD1 4.21Å; F255-L816 HydrophobicContact CB-CD2 3.98Å; F255-L816 HydrophobicContact CD2-CD1 4.03Å; F255-L816 HydrophobicContact CG-CD1 4.11Å; A283-L816 HydrophobicContact CB-CD2 4.27Å; Q287-L816 HydrophobicContact CG-CD2 3.37Å; L812-L816 HydrophobicContact CD2-CD1 4.36Å; L812-L816 WeakPolarHBondContact O-CG 3.44Å; L812-L816 PolarHBondContact O-N 3.44Å; L812-L816 VanDerWaalsContact O-N 3.08Å; L813-L816 PolarHBondContact O-N 2.92Å; L816-A819 PolarHBondContact O-N 3.5Å; L816-G820 PolarHBondContact O-N 3.45Å
817	R	98.9	Very high	98.7	Very high	54 Å²	54	21.5 Å²	21.5	20%	0.204	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-53.8	177	-178.1	-166.7	70.2	-138.5	-1.5	112.1	F795 T800 L813 G815 A819 G820 R821	F795-R817 PolarHBondContact O-NH2 3.46Å; F795-R817 VanDerWaalsContact O-NH2 3.08Å; T800-R817 PolarHBondContact O-NH1 3.22Å; T800-R817 PolarHBondContact O-NH2 2.88Å; T800-R817 PolarHBondContact OG1-NH2 2.85Å; L813-R817 WeakPolarHBondContact O-CB 3.41Å; L813-R817 PolarHBondContact O-N 2.74Å; G815-R817 VanDerWaalsContact C-N 3.34Å; G815-R817 PolarHBondContact O-N 3.38Å; R817-A819 VanDerWaalsContact C-N 3.31Å; R817-A819 PolarHBondContact O-N 3.23Å; R817-G820 PolarHBondContact O-N 2.9Å; R817-R821 PolarHBondContact O-N 2.95Å
818	E	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.2	-31.6	-178.4	-65.5	-48.8	126.8	0	0	112	L619 F794 F795 A796 S814 R821 I822	L619-E818 HydrophobicContact CD1-CB 3.68Å; L619-E818 HydrophobicContact CD1-CG 3.8Å; L619-E818 HydrophobicContact CD2-CB 4.31Å; F794-E818 WeakPolarHBondContact CD1-OE2 3.46Å; F795-E818 VanDerWaalsContact O-CD 3.3Å; F795-E818 WeakPolarHBondContact O-CG 3.46Å; A796-E818 HydrophobicContact CB-CB 4.29Å; A796-E818 HydrophobicContact CB-CG 3.72Å; S814-E818 PolarHBondContact O-N 2.99Å; S814-E818 VanDerWaalsContact O-N 3.1Å; E818-R821 VanDerWaalsContact CD-NH1 3.28Å; E818-R821 PolarHBondContact O-N 3Å; E818-R821 IonicContact OE1-CZ 3.17Å; E818-R821 IonicContact OE1-NH1 3.46Å; E818-R821 PolarHBondContact OE1-NH1 2.74Å; E818-R821 IonicContact OE1-NH2 3.88Å; E818-R821 IonicContact OE2-CZ 2.74Å; E818-R821 IonicContact OE2-NE 2.94Å; E818-R821 IonicContact OE2-NH1 2.7Å; E818-R821 PolarHBondContact OE2-NH1 3.31Å; E818-I822 VanDerWaalsContact O-CB 3.31Å; E818-I822 WeakPolarHBondContact O-CB 3.36Å; E818-I822 WeakPolarHBondContact O-CD1 2.98Å; E818-I822 WeakPolarHBondContact O-CG1 3.26Å; E818-I822 PolarHBondContact O-N 3.16Å
819	A	98.9	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-45	173	0	0	0	0	0	112.3	A284 Q287 L288 G815 L816 R817 A823	A284-A819 HydrophobicContact CB-CB 4.36Å; Q287-A819 HydrophobicContact CB-CB 3.44Å; Q287-A819 VanDerWaalsContact CB-CB 3.44Å; Q287-A819 HydrophobicContact CG-CB 4.33Å; L288-A819 HydrophobicContact CD2-CB 4.18Å; L288-A819 WeakPolarHBondContact CD2-O 3.48Å; L288-A819 HydrophobicContact CG-CB 3.83Å; G815-A819 WeakPolarHBondContact O-CB 3.41Å; G815-A819 PolarHBondContact O-N 3.03Å; L816-A819 PolarHBondContact O-N 3.5Å; R817-A819 VanDerWaalsContact C-N 3.31Å; R817-A819 PolarHBondContact O-N 3.23Å; A819-A823 VanDerWaalsContact O-CB 3.26Å; A819-A823 WeakPolarHBondContact O-CB 3.48Å; A819-A823 PolarHBondContact O-N 3.02Å
820	G	98.8	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-49	174.2	0	0	0	0	0	112	R249 L816 R817 I822 A823 D824	R249-G820 WeakPolarHBondContact O-CA 3.25Å; L816-G820 PolarHBondContact O-N 3.45Å; R817-G820 PolarHBondContact O-N 2.9Å; G820-I822 PolarHBondContact O-N 2.67Å; G820-A823 PolarHBondContact O-N 3.37Å; G820-D824 VanDerWaalsContact O-CG 3.28Å; G820-D824 PolarHBondContact O-N 3.22Å
821	R	98.8	Very high	98	Very high	72 Å²	72	27.6 Å²	27.6	27%	0.272	14%	0.14	S	C	.	.	H	α-helix	trans	-61.5	-44.8	179.5	-171.9	-173.7	-67.3	166.8	-9.7	113.2	A774 F794 R817 E818 D824 Q825	A774-R821 PolarHBondContact O-NH1 3.48Å; F794-R821 HydrophobicContact CD1-CG 4.49Å; F794-R821 HydrophobicContact CE1-CG 4.09Å; R817-R821 PolarHBondContact O-N 2.95Å; E818-R821 VanDerWaalsContact CD-NH1 3.28Å; E818-R821 PolarHBondContact O-N 3Å; E818-R821 IonicContact OE1-CZ 3.17Å; E818-R821 IonicContact OE1-NH1 3.46Å; E818-R821 PolarHBondContact OE1-NH1 2.74Å; E818-R821 IonicContact OE1-NH2 3.88Å; E818-R821 IonicContact OE2-CZ 2.74Å; E818-R821 IonicContact OE2-NE 2.94Å; E818-R821 IonicContact OE2-NH1 2.7Å; E818-R821 PolarHBondContact OE2-NH1 3.31Å; R821-D824 PolarHBondContact O-N 2.97Å; R821-Q825 WeakPolarHBondContact O-CB 3.17Å; R821-Q825 PolarHBondContact O-N 3.36Å
822	I	98.9	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-44.7	176.6	-69.7	165.8	0	0	0	109.6	V272 L288 M293 L619 F794 E818 G820 D824 Q825 F826	V272-I822 HydrophobicContact CG2-CG2 3.98Å; L288-I822 HydrophobicContact CD1-CD1 4.32Å; L288-I822 HydrophobicContact CD2-CB 3.96Å; L288-I822 HydrophobicContact CD2-CG2 3.75Å; M293-I822 HydrophobicContact CE-CG2 4.32Å; M293-I822 HydrophobicContact SD-CG2 4.2Å; L619-I822 HydrophobicContact CB-CD1 4.21Å; F794-I822 HydrophobicContact CB-CD1 4.08Å; F794-I822 HydrophobicContact CB-CG1 4.34Å; F794-I822 HydrophobicContact CD1-CD1 4.39Å; F794-I822 HydrophobicContact CD1-CG1 3.73Å; F794-I822 HydrophobicContact CD2-CD1 4.04Å; F794-I822 HydrophobicContact CD2-CG1 3.74Å; F794-I822 HydrophobicContact CE1-CG1 3.87Å; F794-I822 HydrophobicContact CE2-CG1 3.9Å; F794-I822 HydrophobicContact CG-CD1 3.92Å; F794-I822 HydrophobicContact CG-CG1 3.66Å; F794-I822 HydrophobicContact CZ-CG1 3.95Å; E818-I822 VanDerWaalsContact O-CB 3.31Å; E818-I822 WeakPolarHBondContact O-CB 3.36Å; E818-I822 WeakPolarHBondContact O-CD1 2.98Å; E818-I822 WeakPolarHBondContact O-CG1 3.26Å; E818-I822 PolarHBondContact O-N 3.16Å; G820-I822 PolarHBondContact O-N 2.67Å; I822-D824 PolarHBondContact O-N 2.96Å; I822-Q825 PolarHBondContact O-N 3.48Å; I822-F826 HydrophobicContact CG2-CD2 3.93Å; I822-F826 HydrophobicContact CG2-CE2 4.44Å; I822-F826 VanDerWaalsContact O-CD2 3.3Å; I822-F826 WeakPolarHBondContact O-CD2 3.34Å; I822-F826 PolarHBondContact O-N 3.48Å
823	A	98.7	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-42.8	177.8	0	0	0	0	0	112.5	F291 A819 G820 Q825 F826 L827 G828	F291-A823 HydrophobicContact CB-CB 4.47Å; F291-A823 HydrophobicContact CD2-CB 3.44Å; F291-A823 VanDerWaalsContact CD2-CB 3.44Å; F291-A823 HydrophobicContact CE2-CB 3.93Å; F291-A823 HydrophobicContact CG-CB 4.2Å; A819-A823 VanDerWaalsContact O-CB 3.26Å; A819-A823 WeakPolarHBondContact O-CB 3.48Å; A819-A823 PolarHBondContact O-N 3.02Å; G820-A823 PolarHBondContact O-N 3.37Å; A823-Q825 VanDerWaalsContact C-N 3.26Å; A823-Q825 PolarHBondContact O-N 2.97Å; A823-F826 PolarHBondContact O-N 2.77Å; A823-L827 HydrophobicContact CB-CD1 4.11Å; A823-L827 WeakPolarHBondContact O-CA 3.21Å; A823-L827 WeakPolarHBondContact O-CB 3.42Å; A823-L827 PolarHBondContact O-N 2.81Å; A823-G828 PolarHBondContact O-N 2.73Å
824	D	98.4	Very high	95.3	Very high	38 Å²	38	37.8 Å²	37.8	20%	0.203	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-41.5	173.9	-72	-26.6	0	0	0	111.5	R249 H250 G820 R821 I822 G828 A829 Y831	R249-D824 WeakPolarHBondContact CD-OD1 3.49Å; R249-D824 VanDerWaalsContact CG-OD1 3.27Å; R249-D824 WeakPolarHBondContact CG-OD1 3.45Å; R249-D824 IonicContact CZ-OD1 3.65Å; R249-D824 IonicContact NE-OD1 2.69Å; R249-D824 IonicContact NH1-OD1 3.67Å; R249-D824 PolarHBondContact NH1-OD1 3.18Å; H250-D824 IonicContact CE1-OD2 3.9Å; H250-D824 IonicContact NE2-OD2 3.29Å; G820-D824 VanDerWaalsContact O-CG 3.28Å; G820-D824 PolarHBondContact O-N 3.22Å; R821-D824 PolarHBondContact O-N 2.97Å; I822-D824 PolarHBondContact O-N 2.96Å; D824-G828 CarbonylContact O-C 3.49Å; D824-G828 WeakPolarHBondContact O-CA 3.4Å; D824-G828 PolarHBondContact O-N 2.92Å; D824-G828 VanDerWaalsContact O-N 3.15Å; D824-A829 HydrophobicContact CB-CB 4.31Å; D824-Y831 PolarHBondContact OD1-OH 3.45Å; D824-Y831 PolarHBondContact OD2-OH 3.07Å
825	Q	98.1	Very high	93.5	Very high	79 Å²	79	44.8 Å²	44.8	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-71.1	-39.1	-178.1	-175.1	59.3	69.5	0	0	113.8	V790 R821 I822 A823	V790-Q825 HydrophobicContact CB-CG 4.36Å; R821-Q825 WeakPolarHBondContact O-CB 3.17Å; R821-Q825 PolarHBondContact O-N 3.36Å; I822-Q825 PolarHBondContact O-N 3.48Å; A823-Q825 VanDerWaalsContact C-N 3.26Å; A823-Q825 PolarHBondContact O-N 2.97Å
826	F	97.7	Very high	91.2	Very high	49 Å²	49	53.6 Å²	53.6	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-106.1	-20.6	-170.7	-72	-83.3	0	0	0	114.3	M293 D616 A617 V790 F794 I822 A823	M293-F826 HydrophobicContact CE-CB 3.87Å; M293-F826 HydrophobicContact CE-CG 4.49Å; D616-F826 HydrophobicContact CB-CD1 4.32Å; D616-F826 HydrophobicContact CB-CE1 3.96Å; A617-F826 HydrophobicContact CB-CE2 3.71Å; A617-F826 HydrophobicContact CB-CZ 3.86Å; V790-F826 HydrophobicContact CG2-CE1 4.27Å; V790-F826 HydrophobicContact CG2-CZ 4.24Å; F794-F826 HydrophobicContact CE2-CE2 4.09Å; F794-F826 HydrophobicContact CZ-CE2 4.23Å; I822-F826 HydrophobicContact CG2-CD2 3.93Å; I822-F826 HydrophobicContact CG2-CE2 4.44Å; I822-F826 VanDerWaalsContact O-CD2 3.3Å; I822-F826 WeakPolarHBondContact O-CD2 3.34Å; I822-F826 PolarHBondContact O-N 3.48Å; A823-F826 PolarHBondContact O-N 2.77Å
827	L	97.6	Very high	88.4	Confident	46 Å²	46	57.8 Å²	57.8	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-111.5	-14	177.6	-49	179	0	0	0	112.5	T269 F291 M293 A823	T269-L827 HydrophobicContact CG2-CD2 3.67Å; F291-L827 HydrophobicContact CB-CD1 3.88Å; F291-L827 WeakPolarHBondContact O-CD1 3.39Å; M293-L827 HydrophobicContact CE-CD2 4.42Å; M293-L827 HydrophobicContact CG-CD1 3.9Å; M293-L827 HydrophobicContact CG-CD2 4.26Å; M293-L827 HydrophobicContact CG-CG 4.37Å; M293-L827 HydrophobicContact SD-CD1 4.17Å; M293-L827 HydrophobicContact SD-CG 4.29Å; A823-L827 HydrophobicContact CB-CD1 4.11Å; A823-L827 WeakPolarHBondContact O-CA 3.21Å; A823-L827 WeakPolarHBondContact O-CB 3.42Å; A823-L827 PolarHBondContact O-N 2.81Å
828	G	96.2	Very high	85.3	Confident	24 Å²	24	61.1 Å²	61.1	25%	0.247	33%	0.329	C	S	.	.			trans	84.5	158.5	-174.8	0	0	0	0	0	113.4	R249 A823 D824	R249-G828 PolarHBondContact NH1-O 3.48Å; A823-G828 PolarHBondContact O-N 2.73Å; D824-G828 CarbonylContact O-C 3.49Å; D824-G828 WeakPolarHBondContact O-CA 3.4Å; D824-G828 PolarHBondContact O-N 2.92Å; D824-G828 VanDerWaalsContact O-N 3.15Å
829	A	95.8	Very high	82.1	Confident	26 Å²	26	66.6 Å²	66.6	22%	0.215	37%	0.365	C	S	.	.			trans	-112.9	73.8	-178.6	0	0	0	0	0	110.9	D824 Y831 T832	D824-A829 HydrophobicContact CB-CB 4.31Å; A829-Y831 HydrophobicContact CB-CD1 4.47Å; A829-Y831 HydrophobicContact CB-CE1 3.83Å; A829-Y831 HydrophobicContact CB-CE2 4.42Å; A829-Y831 PolarHBondContact O-N 3.41Å; A829-T832 HydrophobicContact CB-CG2 3.89Å; A829-T832 PolarHBondContact O-N 3.07Å; A829-T832 VanDerWaalsContact O-N 3.11Å; A829-T832 PolarHBondContact O-OG1 2.88Å
830	M	93.9	Very high	78.9	Confident	137 Å²	137	72.8 Å²	72.8	68%	0.675	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.5	-174	-57.8	-59.1	157.9	0	0	114.1	T832	M830-T832 VanDerWaalsContact C-N 3.29Å; M830-T832 PolarHBondContact O-N 3.42Å
831	Y	93.9	Very high	75.9	Confident	10 Å²	10	77.3 Å²	77.3	4%	0.039	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-76.7	-10	179.4	56.9	-94	0	0	0	114.1	C186 R242 Y246 R249 H250 D824 A829	C186-Y831 HydrophobicContact CB-CD2 4.15Å; C186-Y831 HydrophobicContact CB-CE2 3.9Å; R242-Y831 PolarHBondContact NE-O 2.6Å; Y246-Y831 HydrophobicContact CD2-CD2 4.35Å; Y246-Y831 AromaticContact CD2-CE2 3.97Å; Y246-Y831 HydrophobicContact CD2-CE2 3.97Å; R249-Y831 HydrophobicContact CB-CE1 3.99Å; R249-Y831 HydrophobicContact CG-CE1 3.82Å; H250-Y831 AromaticContact NE2-CZ 3.83Å; H250-Y831 PolarHBondContact NE2-OH 3.29Å; D824-Y831 PolarHBondContact OD1-OH 3.45Å; D824-Y831 PolarHBondContact OD2-OH 3.07Å; A829-Y831 HydrophobicContact CB-CD1 4.47Å; A829-Y831 HydrophobicContact CB-CE1 3.83Å; A829-Y831 HydrophobicContact CB-CE2 4.42Å; A829-Y831 PolarHBondContact O-N 3.41Å
832	T	91.6	Very high	72.8	Confident	55 Å²	55	80.2 Å²	80.2	34%	0.337	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-89.5	-6.7	-179.9	68.2	0	0	0	0	114	C186 A829 M830	C186-T832 HydrophobicContact CB-CG2 4.26Å; A829-T832 HydrophobicContact CB-CG2 3.89Å; A829-T832 PolarHBondContact O-N 3.07Å; A829-T832 VanDerWaalsContact O-N 3.11Å; A829-T832 PolarHBondContact O-OG1 2.88Å; M830-T832 VanDerWaalsContact C-N 3.29Å; M830-T832 PolarHBondContact O-N 3.42Å
833	L	83.8	Confident	69.9	Low	108 Å²	108	86.6 Å²	86.6	57%	0.565	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69	131.1	-179.8	-73.3	160.8	0	0	0	110.3
834	P	65.9	Low	66.8	Low	88 Å²	88	94 Å²	94	57%	0.571	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-63.2	159.8	177.5	-16.4	27.8	0	0	0	111.8	Q836	P834-Q836 PolarHBondContact O-N 2.91Å; P834-Q836 VanDerWaalsContact O-N 3.17Å
835	R	61.2	Low	64.1	Low	148 Å²	148	98 Å²	98	56%	0.558	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-50	123.7	163.9	-78.1	-179.6	172.3	167.7	-1.2	109.2	D236 A837	D236-R835 IonicContact OD2-CZ 3.91Å; D236-R835 IonicContact OD2-NE 3.32Å; D236-R835 IonicContact OD2-NH2 2.74Å; D236-R835 PolarHBondContact OD2-NH2 2.81Å; R835-A837 PolarHBondContact O-N 3.27Å
836	Q	50.5	Low	61.1	Low	185 Å²	185	102.9 Å²	102.9	86%	0.864	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-66.1	126.1	157.3	-76.4	-176	-12.2	0	0	106.8	P834 T838	P834-Q836 PolarHBondContact O-N 2.91Å; P834-Q836 VanDerWaalsContact O-N 3.17Å; Q836-T838 PolarHBondContact O-N 3.45Å
837	A	39.1	Very low	58.2	Low	95 Å²	95	110 Å²	110	79%	0.785	63%	0.63	S	S	*	*			trans	-59.4	115.7	174.3	0	0	0	0	0	108.3	R835	R835-A837 PolarHBondContact O-N 3.27Å
838	T	34.8	Very low	55.1	Low	124 Å²	124	112.6 Å²	112.6	76%	0.761	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56	127.6	167.3	-33.9	0	0	0	0	107	Q836 T840	Q836-T838 PolarHBondContact O-N 3.45Å; T838-T840 PolarHBondContact O-N 3.43Å
839	P	32.1	Very low	52.3	Low	115 Å²	115	120.5 Å²	120.5	75%	0.747	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-55.6	119.9	175.1	-18.8	28.9	0	0	0	107.6	A841	P839-A841 PolarHBondContact O-N 2.92Å
840	T	32	Very low	50.4	Low	129 Å²	129	124.8 Å²	124.8	79%	0.791	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-52.7	117.4	167.6	40.8	0	0	0	0	106.7	T838 T842	T838-T840 PolarHBondContact O-N 3.43Å; T840-T842 PolarHBondContact O-N 2.61Å
841	A	35.8	Very low	47.5	Very low	96 Å²	96	123.2 Å²	123.2	79%	0.793	72%	0.723	S	S	*	*			trans	-49.8	110.6	173.9	0	0	0	0	0	107.8	P839 T843	P839-A841 PolarHBondContact O-N 2.92Å; A841-T843 PolarHBondContact O-N 2.87Å
842	T	33.5	Very low	45.3	Very low	133 Å²	133	127.6 Å²	127.6	82%	0.816	76%	0.761	S	S	*	*			trans	-50.9	122	170.7	38.8	0	0	0	0	108	T840 N844	T840-T842 PolarHBondContact O-N 2.61Å; T842-N844 PolarHBondContact O-N 3.21Å
843	T	37.5	Very low	42.9	Very low	134 Å²	134	129.4 Å²	129.4	82%	0.822	78%	0.782	S	S	*	*			trans	-43.3	130.7	169	39.1	0	0	0	0	111.3	A841	A841-T843 PolarHBondContact O-N 2.87Å
844	N	32.6	Very low	40.8	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	82%	0.819	S	S	*	*			trans	-32.6	128.5	174.1	-83.1	-23.4	0	0	0	114.6	T842	T842-N844 PolarHBondContact O-N 3.21Å
845	P	42	Very low	39.5	Very low	123 Å²	123	137.1 Å²	137.1	80%	0.799	83%	0.831	S	S	*	*			trans	-93.9	88.2	158.9	33.2	-24	0	0	0	109
846	Q	35	Very low	38.4	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	85%	0.845	S	S	*	*			trans	-168.3	96.3	158.9	-111.8	170.7	21	0	0	110.4
847	Q	36.8	Very low	37.7	Very low	197 Å²	197	133.8 Å²	133.8	92%	0.921	84%	0.844	S	S	*	*			trans	-161.7	128.5	136.4	-109.8	171.6	14.1	0	0	111.1
848	A	33.6	Very low	37.6	Very low	101 Å²	101	136.1 Å²	136.1	84%	0.835	85%	0.848	S	S	*	*			trans	73.2	101	154.9	0	0	0	0	0	119.4
849	Q	35.9	Very low	37.8	Very low	190 Å²	190	136.9 Å²	136.9	89%	0.888	85%	0.853	S	S	*	*			trans	-75.2	173.6	147.7	-122.4	-172.4	20.8	0	0	110
850	P	56	Low	38.2	Very low	116 Å²	116	138.3 Å²	138.3	75%	0.753	86%	0.86	S	S	*	*				-108.3	163.9	-112	37.5	-24.6	0	0	0	114.5
851	A	33.6	Very low	38.6	Very low	104 Å²	104	139 Å²	139	86%	0.86	87%	0.865	S	S	*	*			trans	-145.2	123.2	155.6	0	0	0	0	0	110
852	A	48.3	Very low	38.8	Very low	102 Å²	102	142.3 Å²	142.3	84%	0.843	87%	0.871	S	S	*	*			trans	-77.2	151.6	178.9	0	0	0	0	0	112.3
853	A	41.2	Very low	39.3	Very low	94 Å²	94	143.1 Å²	143.1	78%	0.777	88%	0.875	S	S	*	*			trans	-179.2	128.6	131.1	0	0	0	0	0	112.3
854	V	38.6	Very low	39.4	Very low	220 Å²	220	143.9 Å²	143.9	100%	1.333	88%	0.88	S	S	*	*			trans	74.4	0	165.5	-164.2	0	0	0	0	118.2

Retrieved 854 of 854 residues in 262.3 ms (Link to these results)

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