A0A087X4J7_POEFO Loading...

DNA mismatch repair protein MSH3

Component of the post-replicative DNA mismatch repair system (MMR).

AlphaFold DB , UniProt , Accession A0A087X4J7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,001 aa.

						>A0A087X4J7_POEFO|A0A087X4J7
MMADPFLRAIEDETKMDDRSGKSSNMRSSVSPSFVDSHQQISKTLPGTEKKRDYETQNHDEEDPELAVTNLGFCLSKITKSGGREGGKVAESPSDSSAPCRRSRSTYTPLEQQVMELKQQHKDVLLAVECGYKYRFFGEDAEIAAKELNITCHLDHNFMTCSIPTHRLFVHVRRLVSHGHKVGVVKQTETSALKASGTNRNALFSRQLSALYTKSTLVGEDVNPVCRVADVEEGGCADVVSDPPDSFLLCISENWDKVKKQLSVGVVAVQPSTGDVFLDCFPDGPSRSELEGRILRINPVEVLVPSDLSDQTSKLLLSIANASAQTDDRIRVERRDSAEFEFTSAMNAVVKFYCHTPEKDSRSLSSVASFDSPVICCLGPLIQYLQEFNLERVLRNESSFRHLSSESGGMKLSAATLRNLEILNNQTDGSVRGSLLWVLDHVRTPFGRRLLRKWVSQPLTEPQCIAERQDAVQEMMESDSITLNSIRSLLSHLPDLERGICSIYHGKSSTQEFFLICSSLSRLGLELQALLPAVQAQIRSSLLRSLLLDTPDLLAPAHGFLKVLNEKAAKSGNKTELFSDLSGFPTLQERMNQIQSVLAEIQAHRKEVRLVLKAPALDYVSVSGQEFLIEVKNSLSTIVPPDWVKISSTKTVSRYHSPLLVERYKKLQQLREQLLLDCQREWTRFLDQFGEHYHTMKRAISHLATTDCLLSLAEVAKQGNYCRPKVCENNHQIMITDGRHPAIDLLMGEHGQYVPNHTTLQRDSKRTMIITGPNMGGKSSYIRQVALICVMAQMGSYVPAREACLGVLDGIYTRMGASDNIFKGRSTFMEELTEASEIISQATERSLVILDELGRGTSTHDGIAIAYATLEYFIRDVKSFTLFVTHYPPLCELEQVFPQHVSNFHMAFLLTEPDVTTDDGEVQPEFITFLYQLTKGAAGRSYGLNVARLADVPDPILHTASRKARELESLVNARRKYKKLLSALWSICDKSSLKKWLQSNS
					

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	28.1	Very low	31.3	Very low	236 Å²	236	160.1 Å²	160.1	100%	1.163	83%	0.825	S	S	*	*				0	103.4	0	-172.9	176.4	-173.3	0	0	106
2	M	28.7	Very low	31.1	Very low	183 Å²	183	159.6 Å²	159.6	90%	0.901	82%	0.824	S	S	*	*			trans	57.6	116.7	-172.1	-59.1	173.3	-180	0	0	114
3	A	30.3	Very low	30.8	Very low	91 Å²	91	158.6 Å²	158.6	75%	0.752	81%	0.814	S	S	*	*				67.8	139.9	53	0	0	0	0	0	111.9
4	D	31.6	Very low	30.7	Very low	149 Å²	149	155.6 Å²	155.6	80%	0.797	81%	0.807	S	S	*	*			cis	-151.6	-160.6	14.8	-147.8	23.1	0	0	0	112.1
5	P	57.3	Low	30.5	Very low	85 Å²	85	157.1 Å²	157.1	55%	0.552	81%	0.805	S	S	*	*				-130.7	-170.7	-116.1	43.3	-24.3	0	0	0	115.3
6	F	26.5	Very low	30.2	Very low	219 Å²	219	159.1 Å²	159.1	96%	0.961	81%	0.812	S	S	*	*			trans	-142.3	137.8	144.1	-115.3	-81.8	0	0	0	111.1
7	L	28.6	Very low	30	Very low	144 Å²	144	159.7 Å²	159.7	75%	0.754	82%	0.818	S	S	*	*			trans	-156.5	127.5	-166.2	-163.5	175.8	0	0	0	110.5
8	R	26.8	Very low	29.9	Very low	238 Å²	238	158.3 Å²	158.3	90%	0.898	81%	0.812	S	S	*	*			trans	172.6	159.4	160.1	-97.9	155.5	-171.3	-156.5	2.6	108.9
9	A	29.1	Very low	29.8	Very low	77 Å²	77	162.3 Å²	162.3	64%	0.636	82%	0.816	S	S	*	*			cis	166.6	155.9	-22.4	0	0	0	0	0	106.3
10	I	28.4	Very low	29.7	Very low	159 Å²	159	159.3 Å²	159.3	82%	0.815	81%	0.811	S	S	*	*			cis	-157.7	170.3	-13.2	-108.3	166	0	0	0	106
11	E	28.5	Very low	29.5	Very low	180 Å²	180	155.3 Å²	155.3	84%	0.841	81%	0.81	S	S	*	*			trans	-83.7	-155.1	-179.8	-61.1	173	103.2	0	0	113.7
12	D	29.2	Very low	29.5	Very low	154 Å²	154	153.7 Å²	153.7	82%	0.824	80%	0.796	S	S	*	*			trans	76.1	149.3	174.9	-65.2	-35.9	0	0	0	118.5
13	E	27.1	Very low	29.4	Very low	147 Å²	147	150.2 Å²	150.2	69%	0.687	79%	0.79	S	S	*	*			cis	-143	175.1	1	-143.6	-160.8	141.7	0	0	111.8	K15	E13-K15 IonicContact OE1-NZ 2.74Å; E13-K15 PolarHBondContact OE1-NZ 2.95Å
14	T	29.6	Very low	29.3	Very low	116 Å²	116	150.8 Å²	150.8	71%	0.712	79%	0.789	S	S	*	*			trans	-108.2	146.3	175	58.3	0	0	0	0	112.6
15	K	27.1	Very low	29.1	Very low	179 Å²	179	150.9 Å²	150.9	78%	0.778	79%	0.789	S	S	*	*			trans	-174.8	162.5	141.2	-100	141	-154.9	144.6	0	114	E13	E13-K15 IonicContact OE1-NZ 2.74Å; E13-K15 PolarHBondContact OE1-NZ 2.95Å
16	M	26.9	Very low	27.6	Very low	188 Å²	188	155.5 Å²	155.5	93%	0.926	81%	0.805	S	S	*	*			trans	-82.3	159.5	174.5	-60.1	170.8	169.1	0	0	111.9
17	D	26.8	Very low	27.6	Very low	170 Å²	170	156.1 Å²	156.1	91%	0.909	80%	0.801	S	S	*	*			trans	-150.5	161.9	132.1	-146	-15.8	0	0	0	110.8
18	D	27.1	Very low	27.5	Very low	134 Å²	134	154 Å²	154	72%	0.717	80%	0.798	S	S	*	*			trans	-114.5	149.3	-162.2	-167.2	-1.8	0	0	0	113.6
19	R	27.9	Very low	27.4	Very low	234 Å²	234	147.6 Å²	147.6	88%	0.883	79%	0.79	S	S	*	*			trans	-175.7	92.2	158	-104.3	154.8	-157.5	-143.8	4.5	116.6
20	S	28.3	Very low	27.3	Very low	102 Å²	102	150 Å²	150	71%	0.713	80%	0.797	S	S	*	*				45.7	89.4	128.3	68	0	0	0	0	121.3
21	G	26.3	Very low	27.2	Very low	76 Å²	76	147.7 Å²	147.7	78%	0.784	79%	0.794	S	S	*	*				82.4	134	92.6	0	0	0	0	0	122.6
22	K	27.7	Very low	27.6	Very low	202 Å²	202	145 Å²	145	88%	0.878	79%	0.793	S	S	*	*			trans	-166.1	125.6	136.3	-113.2	169.7	-175.3	174.9	0	113.4
23	S	27	Very low	27.4	Very low	111 Å²	111	142 Å²	142	78%	0.776	78%	0.784	S	S	*	*			trans	35.9	137	148.2	58.8	0	0	0	0	121.3
24	S	28	Very low	27.3	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	79%	0.791	S	S	*	*			cis	-158	147.4	28.6	57.4	0	0	0	0	115.7
25	N	27	Very low	27.2	Very low	150 Å²	150	143.9 Å²	143.9	80%	0.802	79%	0.789	S	S	*	*			trans	36.6	113.4	155.1	-54.4	-6.6	0	0	0	120
26	M	26.6	Very low	27.1	Very low	182 Å²	182	142.2 Å²	142.2	90%	0.897	79%	0.789	S	S	*	*				77.1	104.3	59.6	-83.8	-156.6	148.7	0	0	117.7
27	R	25.8	Very low	27.1	Very low	233 Å²	233	137.7 Å²	137.7	88%	0.879	78%	0.776	S	S	*	*				167.9	113	119.8	-89.3	175.7	-179.8	-169.9	-0.4	107.7
28	S	26	Very low	27.2	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	77%	0.77	S	S	*	*				62.7	131.7	70.9	75.4	0	0	0	0	114.5
29	S	25.5	Very low	27.1	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	77%	0.769	S	S	*	*			cis	180	141.4	-12	42.7	0	0	0	0	110.6
30	V	26.7	Very low	27.1	Very low	129 Å²	129	134.9 Å²	134.9	78%	0.782	76%	0.763	S	S	*	*			trans	58.2	114.1	149.1	180	0	0	0	0	120.2
31	S	26.9	Very low	27	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	76%	0.763	S	S	*	*			trans	59.2	176.9	151.4	88.6	0	0	0	0	117.4
32	P	35.7	Very low	27	Very low	124 Å²	124	137.3 Å²	137.3	81%	0.805	76%	0.755	S	S	*	*			cis	-121.8	-166.6	36.6	44.2	-30.9	0	0	0	115.4
33	S	24.7	Very low	27.1	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	75%	0.751	S	S	*	*			trans	-123.3	179.4	176.5	52.4	0	0	0	0	112.1
34	F	26.1	Very low	27	Very low	191 Å²	191	137.6 Å²	137.6	84%	0.838	75%	0.754	S	S	*	*			trans	90.4	140.9	153.1	-81.9	-58.8	0	0	0	123.8
35	V	26.3	Very low	26.9	Very low	111 Å²	111	140.1 Å²	140.1	67%	0.673	76%	0.758	S	S	*	*			trans	86.5	114.6	141.7	163.3	0	0	0	0	121.2
36	D	26.7	Very low	27.5	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	76%	0.758	S	S	*	*			trans	39.4	157.2	135.7	-39.7	-26.7	0	0	0	121.3
37	S	26.7	Very low	27.4	Very low	93 Å²	93	133.1 Å²	133.1	65%	0.65	75%	0.746	S	S	*	*			cis	-173.4	153.9	32.4	57	0	0	0	0	113.7
38	H	27.9	Very low	27.4	Very low	170 Å²	170	129 Å²	129	79%	0.787	75%	0.747	S	S	*	*			trans	56.8	161.5	147.6	-68.4	-42.5	0	0	0	120.6
39	Q	26.2	Very low	27.4	Very low	150 Å²	150	131.4 Å²	131.4	70%	0.701	75%	0.748	S	S	*	*			cis	-153.4	134.9	-2.1	-116.4	159.3	23.2	0	0	106.2
40	Q	27.2	Very low	27.4	Very low	159 Å²	159	135 Å²	135	74%	0.743	75%	0.75	S	S	*	*				100.3	158.8	71.7	-162.6	-176.5	49.4	0	0	114
41	I	26.6	Very low	27.4	Very low	141 Å²	141	137.8 Å²	137.8	72%	0.723	75%	0.752	S	S	*	*			trans	84.9	100.1	171.2	-50.8	175.4	0	0	0	114.5
42	S	26	Very low	27.3	Very low	87 Å²	87	143.2 Å²	143.2	61%	0.608	76%	0.756	S	S	*	*				74.8	133.1	61.4	95.5	0	0	0	0	114.4
43	K	28.8	Very low	26.8	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	75%	0.749	S	S	*	*			cis	-137.2	-157.1	20.7	-63.3	113.5	-179.5	-178.7	0	110.6
44	T	25.6	Very low	26.8	Very low	136 Å²	136	148.1 Å²	148.1	83%	0.834	75%	0.754	S	S	*	*			cis	-161.5	166.8	12.1	-22.5	0	0	0	0	112.8
45	L	26.2	Very low	26.8	Very low	156 Å²	156	146.6 Å²	146.6	82%	0.817	75%	0.75	S	S	*	*			trans	-88	174.3	158.3	-83.7	161.7	0	0	0	110.6
46	P	39	Very low	26.7	Very low	121 Å²	121	146.8 Å²	146.8	79%	0.786	75%	0.751	S	S	*	*			cis	-128.3	-165.9	17.8	42.8	-24.7	0	0	0	113.4
47	G	24.9	Very low	26.6	Very low	64 Å²	64	147.8 Å²	147.8	66%	0.66	75%	0.751	S	S	*	*			cis	126.1	75.9	-9.7	0	0	0	0	0	116.1
48	T	25.9	Very low	26.5	Very low	146 Å²	146	149 Å²	149	90%	0.896	75%	0.751	S	S	*	*			trans	-166.1	161.7	163.9	39.7	0	0	0	0	108.7
49	E	26.1	Very low	26.3	Very low	149 Å²	149	148.2 Å²	148.2	70%	0.696	75%	0.747	S	S	*	*			cis	174.7	149.8	-37.1	-147.7	-157.5	-154.2	0	0	105.8
50	K	26.4	Very low	26.2	Very low	178 Å²	178	147.3 Å²	147.3	77%	0.774	75%	0.747	S	S	*	*			trans	71.6	152.7	176.9	-53.9	160.4	-170.6	165.3	0	116
51	K	25.9	Very low	26.1	Very low	189 Å²	189	148.6 Å²	148.6	82%	0.822	75%	0.753	S	S	*	*			cis	139.8	131.4	-18.6	-104.4	-170.8	166.9	173.7	0	109.1
52	R	24.7	Very low	25.9	Very low	223 Å²	223	151.5 Å²	151.5	84%	0.842	76%	0.764	S	S	*	*			trans	74.1	162.7	170.4	-47.9	-164	-169.3	157.1	1.7	117.5
53	D	25.2	Very low	25.8	Very low	123 Å²	123	154.8 Å²	154.8	66%	0.658	78%	0.775	S	S	*	*			cis	-174.7	162.1	-43.3	-81.3	-34.5	0	0	0	106.9
54	Y	25.3	Very low	25.9	Very low	195 Å²	195	151.6 Å²	151.6	77%	0.765	77%	0.772	S	S	*	*			trans	65.8	113.5	157.2	-69.9	-65.8	0	0	0	122.4
55	E	24.8	Very low	25.8	Very low	159 Å²	159	154 Å²	154	74%	0.743	77%	0.774	S	S	*	*				78.4	144.7	122.9	-80.9	169.4	-165	0	0	125.6
56	T	25	Very low	25.7	Very low	115 Å²	115	154.6 Å²	154.6	71%	0.706	78%	0.777	S	S	*	*			trans	68.3	97.5	151.5	44.6	0	0	0	0	122.2
57	Q	24	Very low	25	Very low	165 Å²	165	153.3 Å²	153.3	77%	0.771	78%	0.777	S	S	*	*				61.9	119.8	112.7	-79.8	-174.9	-19.6	0	0	122.5
58	N	24.3	Very low	25	Very low	120 Å²	120	156.7 Å²	156.7	64%	0.642	79%	0.785	S	S	*	*				106.4	124.9	127.7	-70.7	4.5	0	0	0	121.1
59	H	25	Very low	24.9	Very low	153 Å²	153	155.5 Å²	155.5	71%	0.708	78%	0.777	S	S	*	*			trans	63.1	125.3	149.6	-70.5	-63.1	0	0	0	117.9
60	D	23.8	Very low	24.8	Very low	131 Å²	131	156.1 Å²	156.1	70%	0.701	79%	0.785	S	S	*	*			cis	-172.2	171.2	21	-99.9	-31	0	0	0	111.3
61	E	24.4	Very low	24.6	Very low	186 Å²	186	156 Å²	156	87%	0.869	79%	0.792	S	S	*	*			trans	55.9	106.3	160.6	-68.4	-179.2	171.7	0	0	121.6
62	E	22.8	Very low	24.4	Very low	201 Å²	201	149.7 Å²	149.7	94%	0.939	78%	0.781	S	S	*	*				-170.1	133.8	114.2	-102.7	179.4	-174.4	0	0	111.3
63	D	24.6	Very low	24.4	Very low	157 Å²	157	149.2 Å²	149.2	84%	0.84	79%	0.785	S	S	*	*			trans	-94.8	169.9	174.2	-113.4	-28.7	0	0	0	109.7
64	P	29.9	Very low	24.2	Very low	116 Å²	116	149 Å²	149	75%	0.753	79%	0.792	S	S	*	*			cis	-137.5	162.2	12.8	40.6	-23.1	0	0	0	117
65	E	22.7	Very low	24.1	Very low	188 Å²	188	147.7 Å²	147.7	88%	0.879	80%	0.797	S	S	*	*			trans	-143.9	167.5	159.2	-124.1	-174.6	-169.9	0	0	114.9
66	L	25	Very low	24	Very low	168 Å²	168	144.5 Å²	144.5	88%	0.88	79%	0.793	S	S	*	*			trans	-78.8	129.4	-163.6	-72.5	84.1	0	0	0	114	V68	L66-V68 PolarHBondContact O-N 3.08Å
67	A	23.5	Very low	23.9	Very low	94 Å²	94	148.5 Å²	148.5	78%	0.777	80%	0.801	S	S	*	*			trans	-76.9	116.2	177.4	0	0	0	0	0	113.5
68	V	24.8	Very low	24	Very low	135 Å²	135	148.3 Å²	148.3	82%	0.818	80%	0.803	S	S	*	*			trans	-103.6	105.3	157	175.8	0	0	0	0	108	L66 N70	L66-V68 PolarHBondContact O-N 3.08Å; V68-N70 PolarHBondContact O-N 3.37Å
69	T	24.9	Very low	24.2	Very low	120 Å²	120	148.7 Å²	148.7	74%	0.736	81%	0.81	S	S	*	*			trans	-82.7	106.3	-173.2	34.2	0	0	0	0	112.8
70	N	22.8	Very low	24.1	Very low	162 Å²	162	151.7 Å²	151.7	87%	0.866	82%	0.821	S	S	*	*			trans	-61.3	134.3	158.5	-79.8	-54.6	0	0	0	110.2	V68	V68-N70 PolarHBondContact O-N 3.37Å
71	L	23.5	Very low	24.2	Very low	175 Å²	175	151.6 Å²	151.6	92%	0.916	83%	0.83	S	S	*	*			trans	-111.5	105.2	173.7	-109.9	160.3	0	0	0	109.1
72	G	21.8	Very low	24.2	Very low	57 Å²	57	146.8 Å²	146.8	59%	0.588	83%	0.831	S	S	*	*			trans	-96.9	165.2	-177.1	0	0	0	0	0	114.3
73	F	23.1	Very low	24.2	Very low	213 Å²	213	140.9 Å²	140.9	93%	0.934	82%	0.824	S	S	*	*			trans	41.2	118	156.8	-74.4	-88.9	0	0	0	119.8
74	C	22.3	Very low	24.2	Very low	120 Å²	120	144.2 Å²	144.2	81%	0.811	83%	0.825	S	S	*	*				-154.1	131.1	116.5	-156.3	0	0	0	0	112.3
75	L	23	Very low	24	Very low	166 Å²	166	147 Å²	147	87%	0.869	83%	0.828	S	S	*	*			trans	-151.8	87.6	171.1	-154.1	172.6	0	0	0	110.6
76	S	22.8	Very low	24.1	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	83%	0.828	S	S	*	*			trans	-170.3	160.7	158.7	57.1	0	0	0	0	112.6
77	K	22.4	Very low	24	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.865	83%	0.827	S	S	*	*			trans	91.7	67.3	168.7	-56.4	-179.9	-179.8	174.7	0	119.6
78	I	26.7	Very low	24.1	Very low	161 Å²	161	143.4 Å²	143.4	83%	0.826	83%	0.833	S	S	*	*			trans	-140.1	132.7	147	-67.9	-177.7	0	0	0	105.9
79	T	27.4	Very low	24.1	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	83%	0.832	S	S	*	*			cis	-155.8	155.1	-18.3	25	0	0	0	0	107
80	K	24.1	Very low	24.1	Very low	216 Å²	216	141.4 Å²	141.4	94%	0.939	83%	0.828	S	S	*	*			trans	-116.2	137.4	157.4	-87.2	-170.1	173.8	-176.9	0	109.8
81	S	25	Very low	24.2	Very low	128 Å²	128	142.6 Å²	142.6	90%	0.895	83%	0.829	S	S	*	*			trans	-96.7	154	174.3	49.8	0	0	0	0	111
82	G	23.9	Very low	24.3	Very low	85 Å²	85	138.8 Å²	138.8	88%	0.876	82%	0.817	S	S	*	*			trans	132.3	106.9	-177.2	0	0	0	0	0	110
83	G	22.8	Very low	24.6	Very low	78 Å²	78	142.3 Å²	142.3	80%	0.804	83%	0.83	S	S	*	*			trans	-133.6	157.2	-172.4	0	0	0	0	0	113.6
84	R	24.9	Very low	24.7	Very low	226 Å²	226	137.2 Å²	137.2	85%	0.853	82%	0.82	S	S	*	*			trans	-155.8	125	153.7	-120.1	178.1	174.3	149.5	3.9	111.3
85	E	26.6	Very low	24.8	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	82%	0.821	S	S	*	*			trans	30	127.8	144.9	-60.1	170.1	118.6	0	0	121.1
86	G	24.1	Very low	24.9	Very low	86 Å²	86	135.8 Å²	135.8	89%	0.887	81%	0.814	S	S	*	*			trans	128.9	105.2	140.3	0	0	0	0	0	117.2
87	G	24.3	Very low	25.1	Very low	83 Å²	83	137 Å²	137	86%	0.856	82%	0.822	S	S	*	*			trans	144.8	125.7	166.7	0	0	0	0	0	114.2
88	K	24.2	Very low	25.4	Very low	204 Å²	204	132.2 Å²	132.2	89%	0.887	82%	0.82	S	S	*	*			trans	-122.8	169.6	173.7	-81.8	-173.6	176	-179.2	0	110.1
89	V	25.8	Very low	25.6	Very low	133 Å²	133	130.3 Å²	130.3	81%	0.806	82%	0.818	S	S	*	*			trans	104.4	106.5	149.9	-173.1	0	0	0	0	116.2
90	A	24.7	Very low	25.5	Very low	80 Å²	80	130 Å²	130	66%	0.661	82%	0.819	S	S	*	*			trans	55.3	160.4	138.2	0	0	0	0	0	120.3
91	E	24.8	Very low	25.9	Very low	187 Å²	187	131.9 Å²	131.9	87%	0.874	82%	0.821	S	S	*	*			cis	-144.8	179.9	-6.7	-146.4	144.3	-136.6	0	0	110.4
92	S	24.7	Very low	26.5	Very low	96 Å²	96	137 Å²	137	67%	0.671	82%	0.821	S	S	*	*			trans	-83.1	175.3	178.4	60.5	0	0	0	0	112.7
93	P	28.8	Very low	27.1	Very low	131 Å²	131	138.2 Å²	138.2	85%	0.851	82%	0.815	S	S	*	*				-126.3	160.7	92.2	10.3	9.7	0	0	0	113.9
94	S	25.7	Very low	27.8	Very low	106 Å²	106	145.7 Å²	145.7	74%	0.741	82%	0.819	S	S	*	*			trans	-89.9	153.4	175.9	53.4	0	0	0	0	112.5
95	D	24.4	Very low	29	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	81%	0.805	S	S	*	*			trans	-140.3	177.6	130.4	-144.8	-24.1	0	0	0	111.1
96	S	25.4	Very low	31.7	Very low	102 Å²	102	136 Å²	136	71%	0.713	80%	0.801	S	S	*	*			trans	-137.1	129	-135.5	56.9	0	0	0	0	114.4
97	S	27.1	Very low	34.7	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	78%	0.777	S	S	*	*			trans	-146.2	131.1	157.2	57	0	0	0	0	109.3
98	A	27.1	Very low	37.9	Very low	100 Å²	100	134.7 Å²	134.7	83%	0.826	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-82.5	124.8	-172.8	0	0	0	0	0	111	C100	A98-C100 PolarHBondContact O-N 3.3Å
99	P	31.1	Very low	41.1	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-70.7	126.9	178.4	28.2	-33.6	0	0	0	110.7	R101	P99-R101 PolarHBondContact O-N 2.75Å
100	C	26.1	Very low	44.2	Very low	121 Å²	121	124.2 Å²	124.2	82%	0.818	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-59.9	136.2	169.2	-166	0	0	0	0	109.5	A98 R102	A98-C100 PolarHBondContact O-N 3.3Å; C100-R102 VanDerWaalsContact C-N 3.32Å; C100-R102 PolarHBondContact O-N 2.85Å
101	R	32.9	Very low	47.5	Very low	256 Å²	256	120.7 Å²	120.7	97%	0.966	67%	0.672	S	S	*	*			trans	-68.5	80.1	-173.3	-73.2	-177.1	175.3	175.2	-1.2	112.7	P99	P99-R101 PolarHBondContact O-N 2.75Å
102	R	37.3	Very low	50.7	Low	236 Å²	236	115.9 Å²	115.9	89%	0.891	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-85.1	136.4	154.2	-68.1	-176	177.2	176.4	-0.5	108.3	C100	C100-R102 VanDerWaalsContact C-N 3.32Å; C100-R102 PolarHBondContact O-N 2.85Å
103	S	36.6	Very low	53.9	Low	109 Å²	109	112.9 Å²	112.9	76%	0.762	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-58.1	137	176.3	45.5	0	0	0	0	110.4	S105	S103-S105 PolarHBondContact O-N 3.46Å; S103-S105 VanDerWaalsContact O-N 3.12Å
104	R	36.5	Very low	57	Low	235 Å²	235	107.2 Å²	107.2	89%	0.887	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-54.6	121.2	162	-76.4	-178.4	173.3	173.3	-2.9	107.2	T106	R104-T106 VanDerWaalsContact C-N 3.32Å; R104-T106 PolarHBondContact O-N 3.33Å
105	S	50.5	Low	60.2	Low	80 Å²	80	105 Å²	105	56%	0.559	57%	0.567	S	S	*	*			trans	-77.9	84.2	-172.4	55	0	0	0	0	109.8	S103 Y107 N157	S103-S105 PolarHBondContact O-N 3.46Å; S103-S105 VanDerWaalsContact O-N 3.12Å; S105-Y107 PolarHBondContact O-N 3.04Å; S105-N157 WeakPolarHBondContact CB-OD1 2.95Å
106	T	82.8	Confident	63.4	Low	120 Å²	120	103.2 Å²	103.2	74%	0.736	55%	0.554	S	S	*	*			trans	-67.7	113.4	179.2	-51.6	0	0	0	0	109.5	R104 T108	R104-T106 VanDerWaalsContact C-N 3.32Å; R104-T106 PolarHBondContact O-N 3.33Å; T106-T108 PolarHBondContact O-N 3Å
107	Y	88.4	Confident	66.6	Low	98 Å²	98	99.2 Å²	99.2	38%	0.384	52%	0.524	S	S	.	.			trans	-53.2	134.8	172.8	-66.1	-71.7	0	0	0	111.3	S105 E111 Q112 M115 N157 F158	S105-Y107 PolarHBondContact O-N 3.04Å; Y107-E111 HydrophobicContact CD1-CB 4.14Å; Y107-Q112 PolarHBondContact O-NE2 3.45Å; Y107-M115 HydrophobicContact CD1-CE 3.88Å; Y107-M115 HydrophobicContact CD1-SD 4.25Å; Y107-M115 HydrophobicContact CD2-CE 3.55Å; Y107-M115 HydrophobicContact CD2-SD 4.27Å; Y107-M115 HydrophobicContact CE1-CE 4.2Å; Y107-M115 HydrophobicContact CE1-SD 3.98Å; Y107-M115 HydrophobicContact CE2-CE 3.89Å; Y107-M115 HydrophobicContact CE2-SD 4Å; Y107-M115 HydrophobicContact CG-CE 3.52Å; Y107-M115 HydrophobicContact CG-SD 4.37Å; Y107-N157 HydrophobicContact CD1-CB 3.86Å; Y107-N157 HydrophobicContact CE1-CB 3.71Å; Y107-F158 AromaticContact CD1-CE2 3.86Å; Y107-F158 HydrophobicContact CD1-CE2 3.86Å; Y107-F158 HydrophobicContact CD1-CZ 4.49Å; Y107-F158 AromaticContact CE1-CE2 3.61Å; Y107-F158 HydrophobicContact CE1-CE2 3.61Å; Y107-F158 AromaticContact CE1-CZ 3.87Å; Y107-F158 HydrophobicContact CE1-CZ 3.87Å
108	T	91.5	Very high	69.8	Low	42 Å²	42	95.9 Å²	95.9	26%	0.258	50%	0.495	S	S	.	.			trans	-64.6	158.7	173	63.7	0	0	0	0	111.1	T106 L110 E111 Q112	T106-T108 PolarHBondContact O-N 3Å; T108-L110 PolarHBondContact O-N 2.86Å; T108-L110 VanDerWaalsContact O-N 3.12Å; T108-E111 WeakPolarHBondContact CB-OE2 3.45Å; T108-E111 VanDerWaalsContact CG2-OE2 3.31Å; T108-E111 WeakPolarHBondContact CG2-OE2 3.43Å; T108-E111 PolarHBondContact N-OE2 3.38Å; T108-E111 PolarHBondContact O-N 3.32Å; T108-E111 VanDerWaalsContact O-N 3.1Å; T108-E111 VanDerWaalsContact OG1-CD 3.31Å; T108-E111 VanDerWaalsContact OG1-CG 3.25Å; T108-E111 WeakPolarHBondContact OG1-CG 3.41Å; T108-E111 PolarHBondContact OG1-N 2.93Å; T108-E111 PolarHBondContact OG1-OE2 3.09Å; T108-Q112 WeakPolarHBondContact O-CG 3.35Å; T108-Q112 PolarHBondContact O-N 2.88Å
109	P	90.4	Very high	72.9	Confident	87 Å²	87	98 Å²	98	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-58.8	-25.1	177.5	-26.7	36.1	0	0	0	114.5	Q113 L203	P109-Q113 PolarHBondContact O-N 2.65Å; P109-L203 HydrophobicContact CB-CD2 4.29Å; P109-L203 WeakPolarHBondContact O-CD2 3.36Å
110	L	92.4	Very high	75.7	Confident	30 Å²	30	98.8 Å²	98.8	16%	0.157	48%	0.481	C	S	.	.	H	α-helix	trans	-76.9	-43.9	174.6	-179.6	61.4	0	0	0	111.3	T108 Q112 Q113 V114 F137 L203	T108-L110 PolarHBondContact O-N 2.86Å; T108-L110 VanDerWaalsContact O-N 3.12Å; L110-Q112 VanDerWaalsContact C-N 3.28Å; L110-Q112 PolarHBondContact O-N 3.47Å; L110-Q113 PolarHBondContact O-N 3.15Å; L110-V114 HydrophobicContact CD1-CG2 4.37Å; L110-V114 VanDerWaalsContact O-CG2 3.28Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 3.02Å; L110-F137 HydrophobicContact CD2-CZ 4.04Å; L110-F137 HydrophobicContact CG-CZ 4.38Å; L110-L203 HydrophobicContact CB-CD2 3.99Å; L110-L203 HydrophobicContact CD1-CD2 4.14Å
111	E	92.8	Very high	78.8	Confident	7 Å²	7	95.3 Å²	95.3	3%	0.033	45%	0.452	C	S	.	.	H	α-helix	trans	-61.3	-37.5	175.2	-71.1	166	130	0	0	111.6	Y107 T108 V114 M115 H156 N157 F158	Y107-E111 HydrophobicContact CD1-CB 4.14Å; T108-E111 WeakPolarHBondContact CB-OE2 3.45Å; T108-E111 VanDerWaalsContact CG2-OE2 3.31Å; T108-E111 WeakPolarHBondContact CG2-OE2 3.43Å; T108-E111 PolarHBondContact N-OE2 3.38Å; T108-E111 PolarHBondContact O-N 3.32Å; T108-E111 VanDerWaalsContact O-N 3.1Å; T108-E111 VanDerWaalsContact OG1-CD 3.31Å; T108-E111 VanDerWaalsContact OG1-CG 3.25Å; T108-E111 WeakPolarHBondContact OG1-CG 3.41Å; T108-E111 PolarHBondContact OG1-N 2.93Å; T108-E111 PolarHBondContact OG1-OE2 3.09Å; E111-V114 PolarHBondContact O-N 3.16Å; E111-M115 WeakPolarHBondContact O-CG 3.4Å; E111-M115 PolarHBondContact O-N 3.41Å; E111-H156 WeakPolarHBondContact OE1-CB 3.16Å; E111-N157 VanDerWaalsContact CD-ND2 3.28Å; E111-N157 VanDerWaalsContact OE1-CB 3.24Å; E111-N157 WeakPolarHBondContact OE1-CB 3.16Å; E111-N157 PolarHBondContact OE1-N 3.26Å; E111-N157 PolarHBondContact OE1-ND2 1.78Å; E111-N157 PolarHBondContact OE2-ND2 2.72Å; E111-F158 HydrophobicContact CB-CD2 4.3Å; E111-F158 HydrophobicContact CB-CE2 4.01Å; E111-F158 HydrophobicContact CG-CD2 3.79Å; E111-F158 HydrophobicContact CG-CE2 4.02Å; E111-F158 WeakPolarHBondContact OE1-CD2 3.37Å
112	Q	92.3	Very high	81.5	Confident	86 Å²	86	90.4 Å²	90.4	40%	0.402	44%	0.438	S	S	.	.	H	α-helix	trans	-60.3	-51.6	173.4	-67.4	173.7	24	0	0	111.6	Y107 T108 L110 V114 M115 E116	Y107-Q112 PolarHBondContact O-NE2 3.45Å; T108-Q112 WeakPolarHBondContact O-CG 3.35Å; T108-Q112 PolarHBondContact O-N 2.88Å; L110-Q112 VanDerWaalsContact C-N 3.28Å; L110-Q112 PolarHBondContact O-N 3.47Å; Q112-V114 VanDerWaalsContact C-N 3.28Å; Q112-V114 PolarHBondContact O-N 3.02Å; Q112-M115 HydrophobicContact CG-CE 4.31Å; Q112-M115 PolarHBondContact O-N 2.69Å; Q112-E116 WeakPolarHBondContact O-CG 3.22Å; Q112-E116 PolarHBondContact O-N 2.77Å
113	Q	92.8	Very high	84	Confident	32 Å²	32	83.7 Å²	83.7	15%	0.15	42%	0.42	C	S	.	.	H	α-helix	trans	-60	-35.6	176.1	-176.9	176.2	64	0	0	112.7	P109 L110 L117 F204	P109-Q113 PolarHBondContact O-N 2.65Å; L110-Q113 PolarHBondContact O-N 3.15Å; Q113-L117 HydrophobicContact CG-CD1 4.4Å; Q113-L117 WeakPolarHBondContact O-CG 3.41Å; Q113-L117 PolarHBondContact O-N 2.77Å; Q113-F204 PolarHBondContact NE2-O 2.86Å; Q113-F204 VanDerWaalsContact NE2-O 3.08Å
114	V	92.3	Very high	86.7	Confident	12 Å²	12	78.7 Å²	78.7	7%	0.073	38%	0.384	C	S	.	.	H	α-helix	trans	-70.5	-41.1	176.2	170.3	0	0	0	0	111.6	L110 E111 Q112 L117 K118 V128 F137	L110-V114 HydrophobicContact CD1-CG2 4.37Å; L110-V114 VanDerWaalsContact O-CG2 3.28Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 3.02Å; E111-V114 PolarHBondContact O-N 3.16Å; Q112-V114 VanDerWaalsContact C-N 3.28Å; Q112-V114 PolarHBondContact O-N 3.02Å; V114-L117 PolarHBondContact O-N 3.14Å; V114-K118 WeakPolarHBondContact O-CB 3.48Å; V114-K118 PolarHBondContact O-N 2.98Å; V114-V128 HydrophobicContact CG2-CG1 4.31Å; V114-V128 HydrophobicContact CG2-CG2 4.31Å; V114-F137 HydrophobicContact CB-CD2 4.48Å; V114-F137 HydrophobicContact CG1-CB 4.01Å; V114-F137 HydrophobicContact CG1-CD2 3.86Å; V114-F137 HydrophobicContact CG1-CG 4.07Å; V114-F137 HydrophobicContact CG2-CD2 3.87Å; V114-F137 HydrophobicContact CG2-CE2 3.79Å; V114-F137 HydrophobicContact CG2-CZ 4.4Å
115	M	92.6	Very high	89.5	Confident	60 Å²	60	67.7 Å²	67.7	30%	0.296	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175	-73.6	-174.7	-63.2	0	0	112.1	Y107 E111 Q112 K118 Q119 F158	Y107-M115 HydrophobicContact CD1-CE 3.88Å; Y107-M115 HydrophobicContact CD1-SD 4.25Å; Y107-M115 HydrophobicContact CD2-CE 3.55Å; Y107-M115 HydrophobicContact CD2-SD 4.27Å; Y107-M115 HydrophobicContact CE1-CE 4.2Å; Y107-M115 HydrophobicContact CE1-SD 3.98Å; Y107-M115 HydrophobicContact CE2-CE 3.89Å; Y107-M115 HydrophobicContact CE2-SD 4Å; Y107-M115 HydrophobicContact CG-CE 3.52Å; Y107-M115 HydrophobicContact CG-SD 4.37Å; E111-M115 WeakPolarHBondContact O-CG 3.4Å; E111-M115 PolarHBondContact O-N 3.41Å; Q112-M115 HydrophobicContact CG-CE 4.31Å; Q112-M115 PolarHBondContact O-N 2.69Å; M115-K118 PolarHBondContact O-N 3.48Å; M115-Q119 VanDerWaalsContact O-CB 3.27Å; M115-Q119 WeakPolarHBondContact O-CB 3.37Å; M115-Q119 PolarHBondContact O-N 3.08Å; M115-F158 HydrophobicContact CG-CE2 4.47Å; M115-F158 HydrophobicContact CG-CZ 3.98Å; M115-F158 HydrophobicContact SD-CZ 4.06Å
116	E	93.1	Very high	91.7	Very high	117 Å²	117	64.1 Å²	64.1	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-47.2	175.4	-72.4	170.7	178.9	0	0	111.7	Q112 Q119 Q120	Q112-E116 WeakPolarHBondContact O-CG 3.22Å; Q112-E116 PolarHBondContact O-N 2.77Å; E116-Q119 PolarHBondContact O-N 3.21Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.17Å
117	L	92.7	Very high	92.4	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-43	176.7	-70.1	167.1	0	0	0	112.3	Q113 V114 Q119 Q120 H121 L126 V185	Q113-L117 HydrophobicContact CG-CD1 4.4Å; Q113-L117 WeakPolarHBondContact O-CG 3.41Å; Q113-L117 PolarHBondContact O-N 2.77Å; V114-L117 PolarHBondContact O-N 3.14Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-Q119 PolarHBondContact O-N 3.16Å; L117-Q120 PolarHBondContact O-N 3.38Å; L117-H121 PolarHBondContact O-N 3.05Å; L117-L126 HydrophobicContact CB-CD1 4.07Å; L117-V185 HydrophobicContact CD1-CG1 3.74Å; L117-V185 HydrophobicContact CD1-CG2 4.36Å
118	K	93.3	Very high	92.8	Very high	48 Å²	48	53.9 Å²	53.9	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-29	178.5	-169.9	68.1	-179.1	-172	0	112.5	V114 M115 Q120 H121 K122 V124 L126 D140	V114-K118 WeakPolarHBondContact O-CB 3.48Å; V114-K118 PolarHBondContact O-N 2.98Å; M115-K118 PolarHBondContact O-N 3.48Å; K118-Q120 VanDerWaalsContact C-N 3.3Å; K118-Q120 PolarHBondContact O-N 2.91Å; K118-H121 CarbonylContact O-C 3.54Å; K118-H121 PolarHBondContact O-N 2.89Å; K118-K122 WeakPolarHBondContact CE-O 3.45Å; K118-K122 PolarHBondContact NZ-O 2.82Å; K118-K122 WeakPolarHBondContact O-CA 3.46Å; K118-K122 VanDerWaalsContact O-CG 3.31Å; K118-K122 WeakPolarHBondContact O-CG 3.15Å; K118-K122 PolarHBondContact O-N 3.47Å; K118-V124 PolarHBondContact NZ-O 2.99Å; K118-L126 HydrophobicContact CB-CD1 4.05Å; K118-L126 HydrophobicContact CD-CD1 4Å; K118-L126 HydrophobicContact CD-CG 4.38Å; K118-D140 IonicContact NZ-OD1 2.65Å; K118-D140 PolarHBondContact NZ-OD1 2.92Å; K118-D140 IonicContact NZ-OD2 3.25Å; K118-D140 PolarHBondContact NZ-OD2 2.77Å
119	Q	92.4	Very high	93	Very high	144 Å²	144	53.7 Å²	53.7	67%	0.673	26%	0.262	S	S	*	.	H	α-helix	trans	-67	-32.5	174	-175.5	173.1	3.1	0	0	112.1	M115 E116 L117 K122	M115-Q119 VanDerWaalsContact O-CB 3.27Å; M115-Q119 WeakPolarHBondContact O-CB 3.37Å; M115-Q119 PolarHBondContact O-N 3.08Å; E116-Q119 PolarHBondContact O-N 3.21Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-Q119 PolarHBondContact O-N 3.16Å; Q119-K122 WeakPolarHBondContact O-CE 3.48Å
120	Q	90	Very high	93.1	Very high	137 Å²	137	51.4 Å²	51.4	64%	0.64	25%	0.247	S	C	*	.	H	α-helix	trans	-76.7	-36.5	173.6	-64.6	169.3	15.3	0	0	111.9	E116 L117 K118	E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.17Å; L117-Q120 PolarHBondContact O-N 3.38Å; K118-Q120 VanDerWaalsContact C-N 3.3Å; K118-Q120 PolarHBondContact O-N 2.91Å
121	H	90.9	Very high	93	Very high	48 Å²	48	51.9 Å²	51.9	22%	0.222	26%	0.26	C	S	.	.			trans	-126	66.3	-172	-59.8	-67.9	0	0	0	112.3	L117 K118 D123 V124 L126 L208	L117-H121 PolarHBondContact O-N 3.05Å; K118-H121 CarbonylContact O-C 3.54Å; K118-H121 PolarHBondContact O-N 2.89Å; H121-D123 PolarHBondContact O-N 2.89Å; H121-V124 HydrophobicContact CB-CB 3.92Å; H121-V124 HydrophobicContact CB-CG2 3.79Å; H121-V124 PolarHBondContact O-N 2.92Å; H121-L126 HydrophobicContact CB-CD2 4.49Å; H121-L208 WeakPolarHBondContact NE2-CD2 3.2Å
122	K	89.1	Confident	92.9	Very high	154 Å²	154	60 Å²	60	67%	0.67	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-38	-170.5	-64.6	177.9	-177.2	175.5	0	113.9	K118 Q119 V124	K118-K122 WeakPolarHBondContact CE-O 3.45Å; K118-K122 PolarHBondContact NZ-O 2.82Å; K118-K122 WeakPolarHBondContact O-CA 3.46Å; K118-K122 VanDerWaalsContact O-CG 3.31Å; K118-K122 WeakPolarHBondContact O-CG 3.15Å; K118-K122 PolarHBondContact O-N 3.47Å; Q119-K122 WeakPolarHBondContact O-CE 3.48Å; K122-V124 VanDerWaalsContact C-N 3.3Å
123	D	89.8	Confident	93	Very high	95 Å²	95	58.8 Å²	58.8	51%	0.508	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.4	-179.4	66.6	-54.6	0	0	0	113.7	H121 K181	H121-D123 PolarHBondContact O-N 2.89Å; D123-K181 WeakPolarHBondContact OD2-CD 3.5Å; D123-K181 WeakPolarHBondContact OD2-CE 3.5Å; D123-K181 IonicContact OD2-NZ 3.52Å; D123-K181 PolarHBondContact OD2-NZ 3.29Å
124	V	94.4	Very high	93.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.6	-178.9	-174.5	0	0	0	0	109.9	K118 H121 K122 L126 K181 L211	K118-V124 PolarHBondContact NZ-O 2.99Å; H121-V124 HydrophobicContact CB-CB 3.92Å; H121-V124 HydrophobicContact CB-CG2 3.79Å; H121-V124 PolarHBondContact O-N 2.92Å; K122-V124 VanDerWaalsContact C-N 3.3Å; V124-L126 HydrophobicContact CB-CD2 4.23Å; V124-L126 HydrophobicContact CG1-CD2 3.79Å; V124-K181 WeakPolarHBondContact CA-O 3.3Å; V124-K181 HydrophobicContact CG2-CD 3.71Å; V124-K181 HydrophobicContact CG2-CG 4.11Å; V124-L211 HydrophobicContact CB-CD2 4.38Å; V124-L211 HydrophobicContact CG1-CD2 3.56Å; V124-L211 HydrophobicContact CG2-CD2 3.82Å
125	L	95.8	Very high	93.4	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	114.4	171.1	-167.3	168.7	0	0	0	109.1	F136 D140 I143 L175 H180 K181 V182 G183	L125-F136 HydrophobicContact CD2-CD1 3.4Å; L125-F136 VanDerWaalsContact CD2-CD1 3.4Å; L125-F136 HydrophobicContact CD2-CE1 3.39Å; L125-D140 HydrophobicContact CD2-CB 4.14Å; L125-D140 HydrophobicContact CG-CB 3.96Å; L125-I143 HydrophobicContact CD1-CB 4.13Å; L125-I143 HydrophobicContact CD1-CG2 3.62Å; L125-L175 HydrophobicContact CD1-CD1 4.17Å; L125-L175 HydrophobicContact CD1-CD2 3.98Å; L125-L175 HydrophobicContact CD2-CD1 4Å; L125-H180 HydrophobicContact CD1-CB 4.47Å; L125-K181 PolarHBondContact N-O 3.38Å; L125-V182 WeakPolarHBondContact O-CA 3.04Å; L125-G183 PolarHBondContact O-N 2.74Å
126	L	96.6	Very high	93.6	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.6	-168.9	-63	179	0	0	0	113.6	L117 K118 H121 V124 V128 F136 D140 V185	L117-L126 HydrophobicContact CB-CD1 4.07Å; K118-L126 HydrophobicContact CB-CD1 4.05Å; K118-L126 HydrophobicContact CD-CD1 4Å; K118-L126 HydrophobicContact CD-CG 4.38Å; H121-L126 HydrophobicContact CB-CD2 4.49Å; V124-L126 HydrophobicContact CB-CD2 4.23Å; V124-L126 HydrophobicContact CG1-CD2 3.79Å; L126-V128 HydrophobicContact CB-CG2 4.16Å; L126-F136 VanDerWaalsContact O-CD1 3.3Å; L126-F136 WeakPolarHBondContact O-CD1 3.43Å; L126-D140 PolarHBondContact N-OD2 2.83Å; L126-V185 HydrophobicContact CD2-CG2 4.17Å
127	A	96.6	Very high	93.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107.5	167.3	0	0	0	0	0	109.9	Y134 F136 L168 G183 V185	A127-Y134 HydrophobicContact CB-CD1 4.09Å; A127-Y134 HydrophobicContact CB-CG 4.47Å; A127-Y134 WeakPolarHBondContact O-CD1 3.41Å; A127-F136 HydrophobicContact CB-CD1 4.41Å; A127-F136 HydrophobicContact CB-CE1 3.6Å; A127-F136 HydrophobicContact CB-CZ 3.95Å; A127-L168 HydrophobicContact CB-CD1 4.5Å; A127-G183 PolarHBondContact N-O 3.18Å; A127-V185 PolarHBondContact O-N 3.28Å
128	V	96.6	Very high	93.8	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.9	-170.4	-175	0	0	0	0	112.6	V114 L126 C130 Y134 R135 F137 V185	V114-V128 HydrophobicContact CG2-CG1 4.31Å; V114-V128 HydrophobicContact CG2-CG2 4.31Å; L126-V128 HydrophobicContact CB-CG2 4.16Å; V128-C130 PolarHBondContact O-N 2.74Å; V128-Y134 CarbonylContact O-C 3.59Å; V128-Y134 WeakPolarHBondContact O-CA 3.49Å; V128-R135 PolarHBondContact N-O 3.1Å; V128-R135 PolarHBondContact O-N 3.5Å; V128-F137 HydrophobicContact CB-CE2 4.16Å; V128-F137 HydrophobicContact CG2-CD2 4.49Å; V128-F137 HydrophobicContact CG2-CE2 4.44Å; V128-V185 HydrophobicContact CG1-CG1 4.15Å; V128-V185 HydrophobicContact CG2-CB 4.27Å
129	E	95.9	Very high	93.8	Very high	39 Å²	39	55.9 Å²	55.9	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	123.2	-177.4	-171	173.3	-135.6	0	0	112.4	Y134 V185 K186 Q187 R206	E129-Y134 HydrophobicContact CB-CD1 4.06Å; E129-Y134 HydrophobicContact CB-CE1 3.69Å; E129-Y134 HydrophobicContact CG-CE1 4.34Å; E129-V185 VanDerWaalsContact CB-O 3.27Å; E129-V185 WeakPolarHBondContact CB-O 3.47Å; E129-V185 PolarHBondContact N-O 2.74Å; E129-K186 WeakPolarHBondContact OE2-CA 3.37Å; E129-Q187 HydrophobicContact CB-CG 4.26Å; E129-Q187 HydrophobicContact CG-CG 4.16Å; E129-Q187 PolarHBondContact OE2-N 2.79Å; E129-R206 VanDerWaalsContact O-CZ 3.25Å; E129-R206 PolarHBondContact O-NE 3.4Å; E129-R206 PolarHBondContact O-NH2 3.44Å
130	C	92.9	Very high	94	Very high	39 Å²	39	49.5 Å²	49.5	26%	0.264	24%	0.242	S	C	.	.			trans	-133.5	65.3	-173.5	-165.6	0	0	0	0	109.6	V128 K133 R135	V128-C130 PolarHBondContact O-N 2.74Å; C130-K133 CarbonylContact C-O 3.52Å; C130-K133 WeakPolarHBondContact CA-O 3.22Å; C130-K133 PolarHBondContact N-O 3.33Å; C130-R135 HydrophobicContact CB-CG 4.07Å
131	G	90.5	Very high	94.2	Very high	40 Å²	40	43 Å²	43	41%	0.412	21%	0.211	S	C	.	.	S	Bend	trans	70.4	-130.1	-169.4	0	0	0	0	0	111.1	K133	G131-K133 PolarHBondContact O-N 3.32Å
132	Y	90.3	Very high	94.4	Very high	178 Å²	178	45.6 Å²	45.6	70%	0.698	22%	0.223	S	C	*	.	S	Bend	trans	-71.5	7.1	-175.3	63.7	-96.7	0	0	0	115.4	T165	Y132-T165 PolarHBondContact O-N 2.78Å; Y132-T165 VanDerWaalsContact O-N 3.1Å; Y132-T165 PolarHBondContact O-OG1 3.28Å
133	K	95.1	Very high	94.7	Very high	59 Å²	59	40.7 Å²	40.7	26%	0.257	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.3	-176.7	55.9	176.7	179.3	175.4	0	112.6	C130 G131 I163	C130-K133 CarbonylContact C-O 3.52Å; C130-K133 WeakPolarHBondContact CA-O 3.22Å; C130-K133 PolarHBondContact N-O 3.33Å; G131-K133 PolarHBondContact O-N 3.32Å; K133-I163 CarbonylContact C-O 3.57Å; K133-I163 VanDerWaalsContact CA-O 3.26Å; K133-I163 WeakPolarHBondContact CA-O 3.41Å; K133-I163 VanDerWaalsContact CB-O 3.24Å; K133-I163 WeakPolarHBondContact CB-O 3.48Å
134	Y	96.4	Very high	94.9	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.3	166	-69	-88.9	0	0	0	109.9	A127 V128 E129 S162 I163 T165 L168 V184 K186	A127-Y134 HydrophobicContact CB-CD1 4.09Å; A127-Y134 HydrophobicContact CB-CG 4.47Å; A127-Y134 WeakPolarHBondContact O-CD1 3.41Å; V128-Y134 CarbonylContact O-C 3.59Å; V128-Y134 WeakPolarHBondContact O-CA 3.49Å; E129-Y134 HydrophobicContact CB-CD1 4.06Å; E129-Y134 HydrophobicContact CB-CE1 3.69Å; E129-Y134 HydrophobicContact CG-CE1 4.34Å; Y134-S162 CarbonylContact O-C 3.56Å; Y134-S162 WeakPolarHBondContact O-CA 3.29Å; Y134-S162 VanDerWaalsContact O-CB 3.23Å; Y134-S162 WeakPolarHBondContact O-CB 3.46Å; Y134-I163 PolarHBondContact N-O 3.12Å; Y134-I163 PolarHBondContact O-N 3.07Å; Y134-T165 HydrophobicContact CD2-CG2 4Å; Y134-T165 HydrophobicContact CE2-CG2 3.72Å; Y134-L168 HydrophobicContact CD1-CD1 4.47Å; Y134-L168 HydrophobicContact CD2-CB 4.41Å; Y134-L168 HydrophobicContact CD2-CD1 3.85Å; Y134-L168 HydrophobicContact CE1-CD1 4.45Å; Y134-L168 HydrophobicContact CE2-CB 4.09Å; Y134-L168 HydrophobicContact CE2-CD1 3.83Å; Y134-L168 HydrophobicContact CE2-CD2 3.84Å; Y134-L168 HydrophobicContact CE2-CG 4.14Å; Y134-L168 HydrophobicContact CG-CD1 4.2Å; Y134-V184 HydrophobicContact CE1-CG1 3.86Å; Y134-K186 WeakPolarHBondContact OH-CE 3.48Å
135	R	96.3	Very high	94.9	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.7	171.3	-70.6	-177.5	64.3	149	-0.3	109.9	V128 C130 F137 D155 T160	V128-R135 PolarHBondContact N-O 3.1Å; V128-R135 PolarHBondContact O-N 3.5Å; C130-R135 HydrophobicContact CB-CG 4.07Å; R135-F137 HydrophobicContact CB-CD2 4.42Å; R135-F137 HydrophobicContact CB-CE2 3.6Å; R135-F137 HydrophobicContact CB-CZ 3.66Å; R135-F137 HydrophobicContact CG-CZ 4.41Å; R135-D155 IonicContact CZ-OD2 3.67Å; R135-D155 IonicContact NH1-OD2 3.8Å; R135-D155 PolarHBondContact NH1-OD2 3.06Å; R135-D155 VanDerWaalsContact NH1-OD2 3.09Å; R135-D155 IonicContact NH2-OD2 2.76Å; R135-D155 PolarHBondContact NH2-OD2 2.95Å; R135-T160 HydrophobicContact CG-CG2 4.47Å; R135-T160 PolarHBondContact NH2-OG1 2.94Å
136	F	96.8	Very high	94.9	Very high	3 Å²	3	43 Å²	43	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.8	166.8	-56.3	-83.7	0	0	0	108.6	L125 L126 A127 A141 A144 L148 T160 C161 I163 L175	L125-F136 HydrophobicContact CD2-CD1 3.4Å; L125-F136 VanDerWaalsContact CD2-CD1 3.4Å; L125-F136 HydrophobicContact CD2-CE1 3.39Å; L126-F136 VanDerWaalsContact O-CD1 3.3Å; L126-F136 WeakPolarHBondContact O-CD1 3.43Å; A127-F136 HydrophobicContact CB-CD1 4.41Å; A127-F136 HydrophobicContact CB-CE1 3.6Å; A127-F136 HydrophobicContact CB-CZ 3.95Å; F136-A141 HydrophobicContact CB-CB 4.03Å; F136-A144 HydrophobicContact CB-CB 4.36Å; F136-A144 HydrophobicContact CD1-CB 4.21Å; F136-A144 HydrophobicContact CD2-CB 3.87Å; F136-A144 HydrophobicContact CE1-CB 4.47Å; F136-A144 HydrophobicContact CE2-CB 4.16Å; F136-A144 HydrophobicContact CG-CB 3.89Å; F136-A144 HydrophobicContact CZ-CB 4.45Å; F136-L148 HydrophobicContact CE2-CD1 4.48Å; F136-T160 WeakPolarHBondContact O-CA 3.47Å; F136-C161 PolarHBondContact N-O 3Å; F136-I163 HydrophobicContact CE2-CD1 4.03Å; F136-I163 HydrophobicContact CE2-CG1 4.1Å; F136-I163 HydrophobicContact CE2-CG2 4.38Å; F136-I163 HydrophobicContact CZ-CD1 4.06Å; F136-L175 HydrophobicContact CE1-CD1 4.31Å; F136-L175 HydrophobicContact CZ-CD1 4.29Å
137	F	95.9	Very high	94.6	Very high	19 Å²	19	44.2 Å²	44.2	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.3	-173.8	-62.2	-88.9	0	0	0	112.6	L110 V114 V128 R135 D140 F158 M159	L110-F137 HydrophobicContact CD2-CZ 4.04Å; L110-F137 HydrophobicContact CG-CZ 4.38Å; V114-F137 HydrophobicContact CB-CD2 4.48Å; V114-F137 HydrophobicContact CG1-CB 4.01Å; V114-F137 HydrophobicContact CG1-CD2 3.86Å; V114-F137 HydrophobicContact CG1-CG 4.07Å; V114-F137 HydrophobicContact CG2-CD2 3.87Å; V114-F137 HydrophobicContact CG2-CE2 3.79Å; V114-F137 HydrophobicContact CG2-CZ 4.4Å; V128-F137 HydrophobicContact CB-CE2 4.16Å; V128-F137 HydrophobicContact CG2-CD2 4.49Å; V128-F137 HydrophobicContact CG2-CE2 4.44Å; R135-F137 HydrophobicContact CB-CD2 4.42Å; R135-F137 HydrophobicContact CB-CE2 3.6Å; R135-F137 HydrophobicContact CB-CZ 3.66Å; R135-F137 HydrophobicContact CG-CZ 4.41Å; F137-D140 PolarHBondContact O-N 2.96Å; F137-F158 HydrophobicContact CB-CB 4.41Å; F137-F158 HydrophobicContact CD1-CB 4.45Å; F137-M159 CarbonylContact C-O 3.56Å; F137-M159 WeakPolarHBondContact CA-O 3.49Å
138	G	94.6	Very high	94.4	Very high	13 Å²	13	44.4 Å²	44.4	13%	0.134	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-136	178.2	0	0	0	0	0	112.3	D140 A141 E142 M159	G138-D140 PolarHBondContact O-N 3.27Å; G138-A141 WeakPolarHBondContact O-CA 3.46Å; G138-A141 VanDerWaalsContact O-CB 3.32Å; G138-A141 WeakPolarHBondContact O-CB 3.5Å; G138-A141 PolarHBondContact O-N 3.39Å; G138-E142 PolarHBondContact O-N 3.47Å; G138-M159 PolarHBondContact N-O 3.28Å
139	E	93.9	Very high	94.3	Very high	148 Å²	148	50.9 Å²	50.9	69%	0.692	25%	0.252	S	S	*	.	H	α-helix	trans	-51.6	-39.5	176.7	-63.3	170	-171.4	0	0	112.2	A141 E142 I143	E139-A141 PolarHBondContact O-N 3.38Å; E139-E142 PolarHBondContact O-N 2.74Å; E139-E142 VanDerWaalsContact O-N 3.12Å; E139-I143 WeakPolarHBondContact O-CG1 3.24Å; E139-I143 PolarHBondContact O-N 2.96Å
140	D	95.1	Very high	94.2	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-31	177.5	-68.8	-10.3	0	0	0	112.1	K118 L125 L126 F137 G138 A144	K118-D140 IonicContact NZ-OD1 2.65Å; K118-D140 PolarHBondContact NZ-OD1 2.92Å; K118-D140 IonicContact NZ-OD2 3.25Å; K118-D140 PolarHBondContact NZ-OD2 2.77Å; L125-D140 HydrophobicContact CD2-CB 4.14Å; L125-D140 HydrophobicContact CG-CB 3.96Å; L126-D140 PolarHBondContact N-OD2 2.83Å; F137-D140 PolarHBondContact O-N 2.96Å; G138-D140 PolarHBondContact O-N 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.1Å; D140-A144 PolarHBondContact O-N 3Å
141	A	95.5	Very high	94.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-77.6	-28.9	176.8	0	0	0	0	0	113.1	F136 G138 E139 A145 M159 C161	F136-A141 HydrophobicContact CB-CB 4.03Å; G138-A141 WeakPolarHBondContact O-CA 3.46Å; G138-A141 VanDerWaalsContact O-CB 3.32Å; G138-A141 WeakPolarHBondContact O-CB 3.5Å; G138-A141 PolarHBondContact O-N 3.39Å; E139-A141 PolarHBondContact O-N 3.38Å; A141-A145 WeakPolarHBondContact O-CB 3.23Å; A141-A145 PolarHBondContact O-N 2.93Å; A141-M159 HydrophobicContact CB-CB 4.38Å; A141-M159 WeakPolarHBondContact CB-O 3.48Å; A141-C161 PolarHBondContact O-SG 3.25Å; A141-C161 VanDerWaalsContact O-SG 3.34Å
142	E	95.4	Very high	94.4	Very high	102 Å²	102	55.5 Å²	55.5	48%	0.477	27%	0.274	S	S	.	.	H	α-helix	trans	-76.3	-44.4	176.4	-66.7	177.2	-162.8	0	0	110.8	G138 E139 A145 K146 M159	G138-E142 PolarHBondContact O-N 3.47Å; E139-E142 PolarHBondContact O-N 2.74Å; E139-E142 VanDerWaalsContact O-N 3.12Å; E142-A145 PolarHBondContact O-N 2.76Å; E142-K146 WeakPolarHBondContact O-CB 3.3Å; E142-K146 PolarHBondContact O-N 3.07Å; E142-M159 HydrophobicContact CG-CB 4.15Å; E142-M159 HydrophobicContact CG-CG 4.27Å; E142-M159 WeakPolarHBondContact OE1-CG 3.49Å
143	I	94.6	Very high	94.5	Very high	52 Å²	52	52.1 Å²	52.1	27%	0.267	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-51	171.4	-63	165	0	0	0	109.8	L125 E139 A145 K146 E147 H180	L125-I143 HydrophobicContact CD1-CB 4.13Å; L125-I143 HydrophobicContact CD1-CG2 3.62Å; E139-I143 WeakPolarHBondContact O-CG1 3.24Å; E139-I143 PolarHBondContact O-N 2.96Å; I143-A145 VanDerWaalsContact C-N 3.3Å; I143-A145 PolarHBondContact O-N 3.45Å; I143-K146 PolarHBondContact O-N 3.01Å; I143-E147 HydrophobicContact CG2-CG 4.17Å; I143-E147 PolarHBondContact O-N 3.08Å; I143-H180 VanDerWaalsContact CG2-CE1 3.44Å; I143-H180 WeakPolarHBondContact CG2-CE1 3.24Å
144	A	94.4	Very high	94.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-35.2	178.3	0	0	0	0	0	112.7	F136 D140 L148	F136-A144 HydrophobicContact CB-CB 4.36Å; F136-A144 HydrophobicContact CD1-CB 4.21Å; F136-A144 HydrophobicContact CD2-CB 3.87Å; F136-A144 HydrophobicContact CE1-CB 4.47Å; F136-A144 HydrophobicContact CE2-CB 4.16Å; F136-A144 HydrophobicContact CG-CB 3.89Å; F136-A144 HydrophobicContact CZ-CB 4.45Å; D140-A144 WeakPolarHBondContact O-CB 3.1Å; D140-A144 PolarHBondContact O-N 3Å; A144-L148 HydrophobicContact CB-CD1 4.16Å; A144-L148 WeakPolarHBondContact O-CB 3.28Å; A144-L148 VanDerWaalsContact O-CG 3.27Å; A144-L148 WeakPolarHBondContact O-CG 3.35Å; A144-L148 PolarHBondContact O-N 3.3Å; A144-L148 VanDerWaalsContact O-N 3.09Å
145	A	94.8	Very high	94.3	Very high	11 Å²	11	56.9 Å²	56.9	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-48.8	173.6	0	0	0	0	0	112.3	A141 E142 I143 N149 I150 C152	A141-A145 WeakPolarHBondContact O-CB 3.23Å; A141-A145 PolarHBondContact O-N 2.93Å; E142-A145 PolarHBondContact O-N 2.76Å; I143-A145 VanDerWaalsContact C-N 3.3Å; I143-A145 PolarHBondContact O-N 3.45Å; A145-N149 WeakPolarHBondContact O-CA 3.25Å; A145-N149 PolarHBondContact O-N 3.16Å; A145-N149 VanDerWaalsContact O-N 3.1Å; A145-I150 VanDerWaalsContact CA-O 3.22Å; A145-I150 WeakPolarHBondContact CA-O 3.42Å; A145-I150 WeakPolarHBondContact CB-O 3.45Å; A145-I150 PolarHBondContact O-N 3.45Å; A145-I150 VanDerWaalsContact O-N 3.07Å; A145-C152 HydrophobicContact CB-CB 3.72Å; A145-C152 VanDerWaalsContact CB-SG 3.59Å
146	K	94.1	Very high	94	Very high	139 Å²	139	61.5 Å²	61.5	60%	0.604	32%	0.315	S	S	*	.	H	α-helix	trans	-63.1	-58.3	179.3	-179.5	178.4	167.2	-69.6	0	112	E142 I143 L148 N149	E142-K146 WeakPolarHBondContact O-CB 3.3Å; E142-K146 PolarHBondContact O-N 3.07Å; I143-K146 PolarHBondContact O-N 3.01Å; K146-L148 PolarHBondContact O-N 3Å; K146-N149 PolarHBondContact O-OD1 2.93Å
147	E	92.1	Very high	93.8	Very high	31 Å²	31	63.6 Å²	63.6	15%	0.145	33%	0.326	C	S	.	.	H	α-helix	trans	-77.6	-20.6	-171.3	-45.2	-41.8	153.5	0	0	113.3	I143 R174 L175 H178	I143-E147 HydrophobicContact CG2-CG 4.17Å; I143-E147 PolarHBondContact O-N 3.08Å; E147-R174 PolarHBondContact O-NH2 2.83Å; E147-L175 HydrophobicContact CB-CD2 4.11Å; E147-H178 IonicContact OE2-CD2 3.17Å; E147-H178 PolarHBondContact OE2-CD2 3.47Å
148	L	92.4	Very high	93.7	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-95.1	-12.7	176.7	-56	175.4	0	0	0	114.1	F136 A144 K146 I150 H171 R174 L175	F136-L148 HydrophobicContact CE2-CD1 4.48Å; A144-L148 HydrophobicContact CB-CD1 4.16Å; A144-L148 WeakPolarHBondContact O-CB 3.28Å; A144-L148 VanDerWaalsContact O-CG 3.27Å; A144-L148 WeakPolarHBondContact O-CG 3.35Å; A144-L148 PolarHBondContact O-N 3.3Å; A144-L148 VanDerWaalsContact O-N 3.09Å; K146-L148 PolarHBondContact O-N 3Å; L148-I150 HydrophobicContact CB-CD1 4.17Å; L148-I150 HydrophobicContact CB-CG1 4.13Å; L148-I150 HydrophobicContact CB-CG2 4.16Å; L148-I150 HydrophobicContact CD1-CD1 3.91Å; L148-H171 HydrophobicContact CD1-CB 3.86Å; L148-H171 HydrophobicContact CD2-CB 3.97Å; L148-R174 VanDerWaalsContact C-NH2 3.31Å; L148-R174 HydrophobicContact CD2-CB 3.8Å; L148-R174 PolarHBondContact O-NH1 2.96Å; L148-R174 PolarHBondContact O-NH2 3.4Å; L148-L175 HydrophobicContact CD1-CD1 4.3Å; L148-L175 HydrophobicContact CD1-CG 4.45Å; L148-L175 HydrophobicContact CD2-CD2 4.3Å; L148-L175 HydrophobicContact CD2-CG 4.03Å; L148-L175 HydrophobicContact CG-CD2 4.22Å; L148-L175 HydrophobicContact CG-CG 4.31Å
149	N	93.1	Very high	93.8	Very high	138 Å²	138	66.6 Å²	66.6	74%	0.738	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	55	-167.6	-58.4	-47.2	0	0	0	112.4	A145 K146	A145-N149 WeakPolarHBondContact O-CA 3.25Å; A145-N149 PolarHBondContact O-N 3.16Å; A145-N149 VanDerWaalsContact O-N 3.1Å; K146-N149 PolarHBondContact O-OD1 2.93Å
150	I	94.4	Very high	93.9	Very high	45 Å²	45	59.7 Å²	59.7	23%	0.231	31%	0.305	C	S	.	.			trans	-127.6	153	177.9	65.1	-179.5	0	0	0	111.5	A145 L148 C152 C161 I163	A145-I150 VanDerWaalsContact CA-O 3.22Å; A145-I150 WeakPolarHBondContact CA-O 3.42Å; A145-I150 WeakPolarHBondContact CB-O 3.45Å; A145-I150 PolarHBondContact O-N 3.45Å; A145-I150 VanDerWaalsContact O-N 3.07Å; L148-I150 HydrophobicContact CB-CD1 4.17Å; L148-I150 HydrophobicContact CB-CG1 4.13Å; L148-I150 HydrophobicContact CB-CG2 4.16Å; L148-I150 HydrophobicContact CD1-CD1 3.91Å; I150-C152 PolarHBondContact O-N 2.03Å; I150-C161 HydrophobicContact CD1-CB 3.87Å; I150-C161 HydrophobicContact CG1-CB 4.05Å; I150-I163 HydrophobicContact CD1-CG2 3.96Å
151	T	92.6	Very high	93.9	Very high	125 Å²	125	59.3 Å²	59.3	77%	0.767	30%	0.303	S	S	*	.			trans	-76.9	119.5	-177.2	49.2	0	0	0	0	112.5	C161	T151-C161 WeakPolarHBondContact O-CB 3.49Å
152	C	94.6	Very high	93.9	Very high	46 Å²	46	61.8 Å²	61.8	31%	0.311	32%	0.32	S	S	.	.			trans	-88.8	152.1	160.9	58	0	0	0	0	111.5	A145 I150 M159 T160 C161	A145-C152 HydrophobicContact CB-CB 3.72Å; A145-C152 VanDerWaalsContact CB-SG 3.59Å; I150-C152 PolarHBondContact O-N 2.03Å; C152-M159 HydrophobicContact CB-CE 3.95Å; C152-T160 VanDerWaalsContact CA-O 3.29Å; C152-T160 WeakPolarHBondContact CA-O 3.36Å; C152-C161 HydrophobicContact CB-CB 4.33Å
153	H	93.7	Very high	93.9	Very high	106 Å²	106	57.1 Å²	57.1	49%	0.491	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.1	172.8	56.5	-77.3	0	0	0	109.8	D155 M159 T160	H153-D155 PolarHBondContact O-N 3.38Å; H153-M159 CarbonylContact O-C 3.6Å; H153-M159 WeakPolarHBondContact O-CA 3.44Å; H153-T160 PolarHBondContact N-O 3.11Å; H153-T160 PolarHBondContact ND1-O 3.28Å; H153-T160 PolarHBondContact O-N 3.48Å
154	L	94.4	Very high	93.9	Very high	118 Å²	118	57.2 Å²	57.2	62%	0.618	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	117.9	175	-175	60.3	0	0	0	109.7	M159	L154-M159 HydrophobicContact CB-SD 3.91Å; L154-M159 HydrophobicContact CD1-SD 4.46Å; L154-M159 PolarHBondContact N-SD 2.79Å; L154-M159 VanDerWaalsContact N-SD 3.43Å
155	D	91.1	Very high	93.8	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.4	170.9	-175.9	18.4	0	0	0	108.3	R135 H153 N157 F158	R135-D155 IonicContact CZ-OD2 3.67Å; R135-D155 IonicContact NH1-OD2 3.8Å; R135-D155 PolarHBondContact NH1-OD2 3.06Å; R135-D155 VanDerWaalsContact NH1-OD2 3.09Å; R135-D155 IonicContact NH2-OD2 2.76Å; R135-D155 PolarHBondContact NH2-OD2 2.95Å; H153-D155 PolarHBondContact O-N 3.38Å; D155-N157 PolarHBondContact O-N 3.08Å; D155-F158 PolarHBondContact N-O 2.91Å; D155-F158 PolarHBondContact O-N 3.02Å; D155-F158 VanDerWaalsContact O-N 3.16Å
156	H	91.4	Very high	93.5	Very high	135 Å²	135	65.8 Å²	65.8	63%	0.625	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-104.1	-172.8	-64.9	58.5	0	0	0	112.7	E111	E111-H156 WeakPolarHBondContact OE1-CB 3.16Å
157	N	91.8	Very high	93.3	Very high	47 Å²	47	64.4 Å²	64.4	25%	0.251	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-9	-176.6	-52.9	-85.3	0	0	0	113.7	S105 Y107 E111 D155	S105-N157 WeakPolarHBondContact CB-OD1 2.95Å; Y107-N157 HydrophobicContact CD1-CB 3.86Å; Y107-N157 HydrophobicContact CE1-CB 3.71Å; E111-N157 VanDerWaalsContact CD-ND2 3.28Å; E111-N157 VanDerWaalsContact OE1-CB 3.24Å; E111-N157 WeakPolarHBondContact OE1-CB 3.16Å; E111-N157 PolarHBondContact OE1-N 3.26Å; E111-N157 PolarHBondContact OE1-ND2 1.78Å; E111-N157 PolarHBondContact OE2-ND2 2.72Å; D155-N157 PolarHBondContact O-N 3.08Å
158	F	93.6	Very high	93.3	Very high	46 Å²	46	63.1 Å²	63.1	20%	0.202	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.3	-170.9	-69.9	-80.7	0	0	0	113.1	Y107 E111 M115 F137 D155 T160	Y107-F158 AromaticContact CD1-CE2 3.86Å; Y107-F158 HydrophobicContact CD1-CE2 3.86Å; Y107-F158 HydrophobicContact CD1-CZ 4.49Å; Y107-F158 AromaticContact CE1-CE2 3.61Å; Y107-F158 HydrophobicContact CE1-CE2 3.61Å; Y107-F158 AromaticContact CE1-CZ 3.87Å; Y107-F158 HydrophobicContact CE1-CZ 3.87Å; E111-F158 HydrophobicContact CB-CD2 4.3Å; E111-F158 HydrophobicContact CB-CE2 4.01Å; E111-F158 HydrophobicContact CG-CD2 3.79Å; E111-F158 HydrophobicContact CG-CE2 4.02Å; E111-F158 WeakPolarHBondContact OE1-CD2 3.37Å; M115-F158 HydrophobicContact CG-CE2 4.47Å; M115-F158 HydrophobicContact CG-CZ 3.98Å; M115-F158 HydrophobicContact SD-CZ 4.06Å; F137-F158 HydrophobicContact CB-CB 4.41Å; F137-F158 HydrophobicContact CD1-CB 4.45Å; D155-F158 PolarHBondContact N-O 2.91Å; D155-F158 PolarHBondContact O-N 3.02Å; D155-F158 VanDerWaalsContact O-N 3.16Å; F158-T160 PolarHBondContact O-N 3.43Å
159	M	96.3	Very high	93.2	Very high	50 Å²	50	66.1 Å²	66.1	25%	0.246	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	134.9	160.9	-68.3	-60.4	-75.3	0	0	109.2	F137 G138 A141 E142 C152 H153 L154	F137-M159 CarbonylContact C-O 3.56Å; F137-M159 WeakPolarHBondContact CA-O 3.49Å; G138-M159 PolarHBondContact N-O 3.28Å; A141-M159 HydrophobicContact CB-CB 4.38Å; A141-M159 WeakPolarHBondContact CB-O 3.48Å; E142-M159 HydrophobicContact CG-CB 4.15Å; E142-M159 HydrophobicContact CG-CG 4.27Å; E142-M159 WeakPolarHBondContact OE1-CG 3.49Å; C152-M159 HydrophobicContact CB-CE 3.95Å; H153-M159 CarbonylContact O-C 3.6Å; H153-M159 WeakPolarHBondContact O-CA 3.44Å; L154-M159 HydrophobicContact CB-SD 3.91Å; L154-M159 HydrophobicContact CD1-SD 4.46Å; L154-M159 PolarHBondContact N-SD 2.79Å; L154-M159 VanDerWaalsContact N-SD 3.43Å
160	T	95.8	Very high	93.1	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.5	-178.9	-62.3	0	0	0	0	110.3	R135 F136 C152 H153 F158	R135-T160 HydrophobicContact CG-CG2 4.47Å; R135-T160 PolarHBondContact NH2-OG1 2.94Å; F136-T160 WeakPolarHBondContact O-CA 3.47Å; C152-T160 VanDerWaalsContact CA-O 3.29Å; C152-T160 WeakPolarHBondContact CA-O 3.36Å; H153-T160 PolarHBondContact N-O 3.11Å; H153-T160 PolarHBondContact ND1-O 3.28Å; H153-T160 PolarHBondContact O-N 3.48Å; F158-T160 PolarHBondContact O-N 3.43Å
161	C	96.3	Very high	92.9	Very high	2 Å²	2	60 Å²	60	1%	0.014	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	168.9	155.5	62.4	0	0	0	0	109.9	F136 A141 I150 T151 C152	F136-C161 PolarHBondContact N-O 3Å; A141-C161 PolarHBondContact O-SG 3.25Å; A141-C161 VanDerWaalsContact O-SG 3.34Å; I150-C161 HydrophobicContact CD1-CB 3.87Å; I150-C161 HydrophobicContact CG1-CB 4.05Å; T151-C161 WeakPolarHBondContact O-CB 3.49Å; C152-C161 HydrophobicContact CB-CB 4.33Å
162	S	95.4	Very high	92.9	Very high	52 Å²	52	54.2 Å²	54.2	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	147.6	-177.3	68.9	0	0	0	0	114.1	Y134	Y134-S162 CarbonylContact O-C 3.56Å; Y134-S162 WeakPolarHBondContact O-CA 3.29Å; Y134-S162 VanDerWaalsContact O-CB 3.23Å; Y134-S162 WeakPolarHBondContact O-CB 3.46Å
163	I	95.4	Very high	92.7	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145	178.8	60.5	175.4	0	0	0	110.4	K133 Y134 F136 I150 H171	K133-I163 CarbonylContact C-O 3.57Å; K133-I163 VanDerWaalsContact CA-O 3.26Å; K133-I163 WeakPolarHBondContact CA-O 3.41Å; K133-I163 VanDerWaalsContact CB-O 3.24Å; K133-I163 WeakPolarHBondContact CB-O 3.48Å; Y134-I163 PolarHBondContact N-O 3.12Å; Y134-I163 PolarHBondContact O-N 3.07Å; F136-I163 HydrophobicContact CE2-CD1 4.03Å; F136-I163 HydrophobicContact CE2-CG1 4.1Å; F136-I163 HydrophobicContact CE2-CG2 4.38Å; F136-I163 HydrophobicContact CZ-CD1 4.06Å; I150-I163 HydrophobicContact CD1-CG2 3.96Å; I163-H171 HydrophobicContact CD1-CB 3.55Å
164	P	95.1	Very high	92.5	Very high	53 Å²	53	53.9 Å²	53.9	34%	0.344	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	148.5	177.4	30.9	-35	0	0	0	111.1	H166 R167	P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.45Å; P164-R167 HydrophobicContact CG-CB 4.04Å; P164-R167 HydrophobicContact CG-CG 3.73Å; P164-R167 PolarHBondContact O-N 3.37Å
165	T	91.4	Very high	92.3	Very high	51 Å²	51	48.3 Å²	48.3	31%	0.313	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-54.7	-42.8	-174	45.9	0	0	0	0	113.4	Y132 Y134 R167 L168	Y132-T165 PolarHBondContact O-N 2.78Å; Y132-T165 VanDerWaalsContact O-N 3.1Å; Y132-T165 PolarHBondContact O-OG1 3.28Å; Y134-T165 HydrophobicContact CD2-CG2 4Å; Y134-T165 HydrophobicContact CE2-CG2 3.72Å; T165-R167 PolarHBondContact O-N 3.4Å; T165-L168 VanDerWaalsContact O-CB 3.31Å; T165-L168 WeakPolarHBondContact O-CB 3.32Å; T165-L168 PolarHBondContact O-N 2.95Å; T165-L168 VanDerWaalsContact O-N 3.08Å
166	H	87.9	Confident	92.3	Very high	140 Å²	140	46.2 Å²	46.2	65%	0.648	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-67.6	-4.7	179.6	72.6	-94.5	0	0	0	114.9	P164 F169	P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.45Å; H166-F169 WeakPolarHBondContact O-CE1 3.48Å
167	R	90.8	Very high	92.1	Very high	110 Å²	110	41.2 Å²	41.2	42%	0.415	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-105.9	2.4	173.5	-64.5	-68.3	-70.6	-171	-5	113.3	P164 T165 F169 V170 H171	P164-R167 HydrophobicContact CG-CB 4.04Å; P164-R167 HydrophobicContact CG-CG 3.73Å; P164-R167 PolarHBondContact O-N 3.37Å; T165-R167 PolarHBondContact O-N 3.4Å; R167-F169 VanDerWaalsContact C-N 3.33Å; R167-F169 PolarHBondContact O-N 2.88Å; R167-V170 WeakPolarHBondContact O-CB 3.34Å; R167-V170 PolarHBondContact O-N 3.19Å; R167-H171 PolarHBondContact O-CD2 3.22Å; R167-H171 VanDerWaalsContact O-CD2 3.22Å; R167-H171 PolarHBondContact O-N 2.71Å
168	L	92.4	Very high	91.8	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-47	-53.2	-177	-179.8	68.2	0	0	0	112.1	A127 Y134 T165 V170 H171 V172 V184 D221	A127-L168 HydrophobicContact CB-CD1 4.5Å; Y134-L168 HydrophobicContact CD1-CD1 4.47Å; Y134-L168 HydrophobicContact CD2-CB 4.41Å; Y134-L168 HydrophobicContact CD2-CD1 3.85Å; Y134-L168 HydrophobicContact CE1-CD1 4.45Å; Y134-L168 HydrophobicContact CE2-CB 4.09Å; Y134-L168 HydrophobicContact CE2-CD1 3.83Å; Y134-L168 HydrophobicContact CE2-CD2 3.84Å; Y134-L168 HydrophobicContact CE2-CG 4.14Å; Y134-L168 HydrophobicContact CG-CD1 4.2Å; T165-L168 VanDerWaalsContact O-CB 3.31Å; T165-L168 WeakPolarHBondContact O-CB 3.32Å; T165-L168 PolarHBondContact O-N 2.95Å; T165-L168 VanDerWaalsContact O-N 3.08Å; L168-V170 VanDerWaalsContact C-N 3.26Å; L168-V170 PolarHBondContact O-N 3.44Å; L168-H171 PolarHBondContact O-N 3.06Å; L168-H171 VanDerWaalsContact O-N 3.11Å; L168-V172 HydrophobicContact CD1-CG2 3.57Å; L168-V172 HydrophobicContact CG-CG2 3.88Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.13Å; L168-V184 HydrophobicContact CD1-CG2 4.2Å; L168-V184 HydrophobicContact CD2-CG1 3.97Å; L168-V184 HydrophobicContact CD2-CG2 4.24Å; L168-D221 HydrophobicContact CD2-CB 3.98Å
169	F	89.4	Confident	91.5	Very high	67 Å²	67	40.6 Å²	40.6	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-53.5	-39.3	-178.4	72.8	-89	0	0	0	113.8	H166 R167 R173 D221 P224	H166-F169 WeakPolarHBondContact O-CE1 3.48Å; R167-F169 VanDerWaalsContact C-N 3.33Å; R167-F169 PolarHBondContact O-N 2.88Å; F169-R173 WeakPolarHBondContact O-CB 3.31Å; F169-R173 VanDerWaalsContact O-CG 3.31Å; F169-R173 WeakPolarHBondContact O-CG 3.31Å; F169-R173 PolarHBondContact O-N 2.73Å; F169-R173 VanDerWaalsContact O-N 3.08Å; F169-D221 VanDerWaalsContact CA-O 3.32Å; F169-D221 WeakPolarHBondContact CA-O 3.38Å; F169-D221 VanDerWaalsContact CB-O 3.28Å; F169-D221 WeakPolarHBondContact CB-O 3.23Å; F169-D221 PolarHBondContact N-O 3.19Å; F169-P224 HydrophobicContact CD1-CG 4.42Å; F169-P224 HydrophobicContact CD2-CG 3.66Å; F169-P224 HydrophobicContact CE1-CG 4.48Å; F169-P224 HydrophobicContact CE2-CG 3.73Å; F169-P224 HydrophobicContact CG-CG 4.02Å; F169-P224 HydrophobicContact CZ-CG 4.15Å
170	V	90.4	Very high	91.3	Very high	35 Å²	35	40.6 Å²	40.6	21%	0.212	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-45.6	-179.4	-174.9	0	0	0	0	110.8	R167 L168 R174	R167-V170 WeakPolarHBondContact O-CB 3.34Å; R167-V170 PolarHBondContact O-N 3.19Å; L168-V170 VanDerWaalsContact C-N 3.26Å; L168-V170 PolarHBondContact O-N 3.44Å; V170-R174 WeakPolarHBondContact O-CG 3.25Å; V170-R174 PolarHBondContact O-N 3.35Å
171	H	92	Very high	91.3	Very high	20 Å²	20	40.6 Å²	40.6	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-79.2	-36.4	-175.2	-64.7	-73.6	0	0	0	111.9	L148 I163 R167 L168 R174 L175	L148-H171 HydrophobicContact CD1-CB 3.86Å; L148-H171 HydrophobicContact CD2-CB 3.97Å; I163-H171 HydrophobicContact CD1-CB 3.55Å; R167-H171 PolarHBondContact O-CD2 3.22Å; R167-H171 VanDerWaalsContact O-CD2 3.22Å; R167-H171 PolarHBondContact O-N 2.71Å; L168-H171 PolarHBondContact O-N 3.06Å; L168-H171 VanDerWaalsContact O-N 3.11Å; H171-R174 PolarHBondContact O-N 2.82Å; H171-L175 WeakPolarHBondContact O-CG 3.29Å; H171-L175 PolarHBondContact O-N 3.01Å
172	V	91.9	Very high	91.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-47.8	172.4	174.3	0	0	0	0	110.5	L168 R174 L175 V176 V182 V184 Y212 V222	L168-V172 HydrophobicContact CD1-CG2 3.57Å; L168-V172 HydrophobicContact CG-CG2 3.88Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.13Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 2.88Å; V172-L175 PolarHBondContact O-N 2.92Å; V172-V176 HydrophobicContact CG1-CG2 4.28Å; V172-V176 WeakPolarHBondContact O-CB 3.47Å; V172-V176 VanDerWaalsContact O-CG2 3.31Å; V172-V176 WeakPolarHBondContact O-CG2 3.44Å; V172-V176 PolarHBondContact O-N 3.32Å; V172-V182 HydrophobicContact CG1-CB 4.47Å; V172-V182 HydrophobicContact CG1-CG1 4.31Å; V172-V182 HydrophobicContact CG2-CG1 4.2Å; V172-V184 HydrophobicContact CG2-CG2 4.27Å; V172-Y212 HydrophobicContact CG1-CD2 3.82Å; V172-Y212 HydrophobicContact CG1-CG 4.02Å; V172-V222 HydrophobicContact CB-CG1 4.21Å; V172-V222 HydrophobicContact CG1-CG1 3.68Å
173	R	89.6	Confident	91.3	Very high	65 Å²	65	38 Å²	38	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-36.2	179	-73.5	175.2	73.1	148.4	-2.6	112.9	F169 S177 L217 V222	F169-R173 WeakPolarHBondContact O-CB 3.31Å; F169-R173 VanDerWaalsContact O-CG 3.31Å; F169-R173 WeakPolarHBondContact O-CG 3.31Å; F169-R173 PolarHBondContact O-N 2.73Å; F169-R173 VanDerWaalsContact O-N 3.08Å; R173-S177 PolarHBondContact O-N 3.47Å; R173-L217 HydrophobicContact CG-CD2 4.23Å; R173-V222 WeakPolarHBondContact CD-O 3.45Å; R173-V222 PolarHBondContact NH1-O 3.49Å
174	R	89.3	Confident	91.3	Very high	81 Å²	81	37.9 Å²	37.9	31%	0.306	18%	0.184	S	C	.	.	H	α-helix	trans	-66.8	-45.5	173.1	-76.9	-179.6	65.5	-169.2	-0	113.2	E147 L148 V170 H171 V172 V176 S177 H178	E147-R174 PolarHBondContact O-NH2 2.83Å; L148-R174 VanDerWaalsContact C-NH2 3.31Å; L148-R174 HydrophobicContact CD2-CB 3.8Å; L148-R174 PolarHBondContact O-NH1 2.96Å; L148-R174 PolarHBondContact O-NH2 3.4Å; V170-R174 WeakPolarHBondContact O-CG 3.25Å; V170-R174 PolarHBondContact O-N 3.35Å; H171-R174 PolarHBondContact O-N 2.82Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 2.88Å; R174-V176 VanDerWaalsContact C-N 3.27Å; R174-V176 PolarHBondContact O-N 3.45Å; R174-S177 PolarHBondContact O-N 3.09Å; R174-S177 PolarHBondContact O-OG 3.41Å; R174-H178 PolarHBondContact O-N 2.94Å; R174-H178 VanDerWaalsContact O-N 3.14Å; R174-H178 PolarHBondContact O-ND1 2.96Å
175	L	91.6	Very high	91.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-36.1	176.7	-70.4	171.3	0	0	0	111.6	L125 F136 E147 L148 H171 V172 H178 G179 H180 V182	L125-L175 HydrophobicContact CD1-CD1 4.17Å; L125-L175 HydrophobicContact CD1-CD2 3.98Å; L125-L175 HydrophobicContact CD2-CD1 4Å; F136-L175 HydrophobicContact CE1-CD1 4.31Å; F136-L175 HydrophobicContact CZ-CD1 4.29Å; E147-L175 HydrophobicContact CB-CD2 4.11Å; L148-L175 HydrophobicContact CD1-CD1 4.3Å; L148-L175 HydrophobicContact CD1-CG 4.45Å; L148-L175 HydrophobicContact CD2-CD2 4.3Å; L148-L175 HydrophobicContact CD2-CG 4.03Å; L148-L175 HydrophobicContact CG-CD2 4.22Å; L148-L175 HydrophobicContact CG-CG 4.31Å; H171-L175 WeakPolarHBondContact O-CG 3.29Å; H171-L175 PolarHBondContact O-N 3.01Å; V172-L175 PolarHBondContact O-N 2.92Å; L175-H178 PolarHBondContact O-N 3.03Å; L175-G179 PolarHBondContact O-N 3.42Å; L175-H180 WeakPolarHBondContact O-CB 3.24Å; L175-H180 PolarHBondContact O-CD2 2.94Å; L175-H180 PolarHBondContact O-N 2.69Å; L175-V182 HydrophobicContact CB-CG2 3.59Å; L175-V182 HydrophobicContact CD1-CG2 4.34Å
176	V	91.1	Very high	91.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-71.3	-37.4	175.8	170.2	0	0	0	0	112.4	V172 R174 H178 G179 V182 T213 K214 L217	V172-V176 HydrophobicContact CG1-CG2 4.28Å; V172-V176 WeakPolarHBondContact O-CB 3.47Å; V172-V176 VanDerWaalsContact O-CG2 3.31Å; V172-V176 WeakPolarHBondContact O-CG2 3.44Å; V172-V176 PolarHBondContact O-N 3.32Å; R174-V176 VanDerWaalsContact C-N 3.27Å; R174-V176 PolarHBondContact O-N 3.45Å; V176-H178 VanDerWaalsContact C-N 3.29Å; V176-H178 PolarHBondContact O-N 2.79Å; V176-G179 WeakPolarHBondContact O-CA 3.32Å; V176-G179 PolarHBondContact O-N 3.16Å; V176-V182 HydrophobicContact CG2-CB 4.38Å; V176-V182 HydrophobicContact CG2-CG2 3.91Å; V176-T213 WeakPolarHBondContact CG1-O 3.32Å; V176-K214 HydrophobicContact CG1-CB 4.48Å; V176-K214 HydrophobicContact CG1-CG 4.07Å; V176-K214 WeakPolarHBondContact O-CE 3.31Å; V176-K214 VanDerWaalsContact O-CG 3.3Å; V176-K214 WeakPolarHBondContact O-CG 3.46Å; V176-L217 HydrophobicContact CB-CD2 4.37Å; V176-L217 HydrophobicContact CG1-CD1 3.97Å; V176-L217 HydrophobicContact CG1-CD2 4.11Å; V176-L217 HydrophobicContact CG1-CG 4.1Å; V176-L217 HydrophobicContact CG2-CD2 4.29Å
177	S	85.6	Confident	91.6	Very high	30 Å²	30	31.3 Å²	31.3	21%	0.21	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-36.2	173.9	70.9	0	0	0	0	111.7	R173 R174 G179 K214 D327	R173-S177 PolarHBondContact O-N 3.47Å; R174-S177 PolarHBondContact O-N 3.09Å; R174-S177 PolarHBondContact O-OG 3.41Å; S177-G179 PolarHBondContact O-N 3.04Å; S177-G179 VanDerWaalsContact O-N 3.14Å; S177-K214 WeakPolarHBondContact O-CE 3.5Å; S177-K214 PolarHBondContact O-NZ 3.43Å; S177-D327 WeakPolarHBondContact CB-OD1 3.22Å; S177-D327 CarbonylContact O-C 3.59Å; S177-D327 WeakPolarHBondContact O-CA 3.24Å; S177-D327 PolarHBondContact OG-OD1 2.94Å
178	H	86.7	Confident	91.4	Very high	61 Å²	61	29.1 Å²	29.1	28%	0.282	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.2	172.1	-68.7	50.5	0	0	0	113.2	E147 R174 L175 V176 D327	E147-H178 IonicContact OE2-CD2 3.17Å; E147-H178 PolarHBondContact OE2-CD2 3.47Å; R174-H178 PolarHBondContact O-N 2.94Å; R174-H178 VanDerWaalsContact O-N 3.14Å; R174-H178 PolarHBondContact O-ND1 2.96Å; L175-H178 PolarHBondContact O-N 3.03Å; V176-H178 VanDerWaalsContact C-N 3.29Å; V176-H178 PolarHBondContact O-N 2.79Å; H178-D327 IonicContact CE1-OD1 2.68Å; H178-D327 PolarHBondContact CE1-OD1 3.24Å; H178-D327 IonicContact CE1-OD2 3.06Å; H178-D327 IonicContact ND1-OD1 3.42Å; H178-D327 PolarHBondContact ND1-OD1 3.45Å
179	G	87.4	Confident	91.1	Very high	19 Å²	19	31.1 Å²	31.1	20%	0.196	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	3.7	171	0	0	0	0	0	115.5	L175 V176 S177 R331	L175-G179 PolarHBondContact O-N 3.42Å; V176-G179 WeakPolarHBondContact O-CA 3.32Å; V176-G179 PolarHBondContact O-N 3.16Å; S177-G179 PolarHBondContact O-N 3.04Å; S177-G179 VanDerWaalsContact O-N 3.14Å; G179-R331 PolarHBondContact O-NH1 3.34Å
180	H	91.9	Very high	90.8	Very high	49 Å²	49	30 Å²	30	23%	0.227	15%	0.152	C	C	.	.			trans	-72.9	144.9	178.4	-59.7	-78.9	0	0	0	111.9	L125 I143 L175 V182	L125-H180 HydrophobicContact CD1-CB 4.47Å; I143-H180 VanDerWaalsContact CG2-CE1 3.44Å; I143-H180 WeakPolarHBondContact CG2-CE1 3.24Å; L175-H180 WeakPolarHBondContact O-CB 3.24Å; L175-H180 PolarHBondContact O-CD2 2.94Å; L175-H180 PolarHBondContact O-N 2.69Å; H180-V182 HydrophobicContact CB-CG2 4.33Å
181	K	94.7	Very high	90.4	Very high	4 Å²	4	32 Å²	32	2%	0.017	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.4	165.2	-176.5	-176.5	-68.8	172.7	0	107.2	D123 V124 L125 Y212 T213 E333	D123-K181 WeakPolarHBondContact OD2-CD 3.5Å; D123-K181 WeakPolarHBondContact OD2-CE 3.5Å; D123-K181 IonicContact OD2-NZ 3.52Å; D123-K181 PolarHBondContact OD2-NZ 3.29Å; V124-K181 WeakPolarHBondContact CA-O 3.3Å; V124-K181 HydrophobicContact CG2-CD 3.71Å; V124-K181 HydrophobicContact CG2-CG 4.11Å; L125-K181 PolarHBondContact N-O 3.38Å; K181-Y212 WeakPolarHBondContact CA-O 3.12Å; K181-T213 HydrophobicContact CB-CG2 3.93Å; K181-T213 HydrophobicContact CD-CG2 4.47Å; K181-T213 HydrophobicContact CG-CG2 3.7Å; K181-E333 WeakPolarHBondContact CE-OE2 3.43Å; K181-E333 IonicContact NZ-OE1 3.8Å; K181-E333 PolarHBondContact NZ-OE1 2.9Å; K181-E333 IonicContact NZ-OE2 3.05Å; K181-E333 PolarHBondContact NZ-OE2 3.23Å
182	V	96.2	Very high	89.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.4	-171.8	-175.9	0	0	0	0	110.2	L125 V172 L175 V176 H180 L211 Y212	L125-V182 WeakPolarHBondContact O-CA 3.04Å; V172-V182 HydrophobicContact CG1-CB 4.47Å; V172-V182 HydrophobicContact CG1-CG1 4.31Å; V172-V182 HydrophobicContact CG2-CG1 4.2Å; L175-V182 HydrophobicContact CB-CG2 3.59Å; L175-V182 HydrophobicContact CD1-CG2 4.34Å; V176-V182 HydrophobicContact CG2-CB 4.38Å; V176-V182 HydrophobicContact CG2-CG2 3.91Å; H180-V182 HydrophobicContact CB-CG2 4.33Å; V182-L211 CarbonylContact O-C 3.56Å; V182-L211 WeakPolarHBondContact O-CA 3.5Å; V182-Y212 PolarHBondContact N-O 2.89Å; V182-Y212 PolarHBondContact O-N 2.9Å
183	G	96.3	Very high	89.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	178.3	0	0	0	0	0	111.3	L125 A127	L125-G183 PolarHBondContact O-N 2.74Å; A127-G183 PolarHBondContact N-O 3.18Å
184	V	96.1	Very high	89.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.5	174.5	179.2	0	0	0	0	108.3	Y134 L168 V172 K186 S209 A210 Y212	Y134-V184 HydrophobicContact CE1-CG1 3.86Å; L168-V184 HydrophobicContact CD1-CG2 4.2Å; L168-V184 HydrophobicContact CD2-CG1 3.97Å; L168-V184 HydrophobicContact CD2-CG2 4.24Å; V172-V184 HydrophobicContact CG2-CG2 4.27Å; V184-K186 HydrophobicContact CG1-CG 4.2Å; V184-S209 PolarHBondContact O-N 2.92Å; V184-S209 PolarHBondContact O-OG 2.95Å; V184-S209 VanDerWaalsContact O-OG 3.04Å; V184-A210 PolarHBondContact N-O 2.97Å; V184-A210 PolarHBondContact O-N 2.97Å; V184-Y212 HydrophobicContact CB-CE2 4.47Å; V184-Y212 HydrophobicContact CG2-CD2 4.04Å; V184-Y212 HydrophobicContact CG2-CE2 3.74Å
185	V	95.9	Very high	88.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.8	-179.3	171.8	0	0	0	0	108.8	L117 L126 A127 V128 E129 R206 Q207 L208	L117-V185 HydrophobicContact CD1-CG1 3.74Å; L117-V185 HydrophobicContact CD1-CG2 4.36Å; L126-V185 HydrophobicContact CD2-CG2 4.17Å; A127-V185 PolarHBondContact O-N 3.28Å; V128-V185 HydrophobicContact CG1-CG1 4.15Å; V128-V185 HydrophobicContact CG2-CB 4.27Å; E129-V185 VanDerWaalsContact CB-O 3.27Å; E129-V185 WeakPolarHBondContact CB-O 3.47Å; E129-V185 PolarHBondContact N-O 2.74Å; V185-R206 HydrophobicContact CG1-CB 3.84Å; V185-R206 HydrophobicContact CG1-CG 4.47Å; V185-Q207 WeakPolarHBondContact CA-O 3.32Å; V185-L208 HydrophobicContact CG2-CB 4.46Å; V185-L208 HydrophobicContact CG2-CD1 4.21Å
186	K	93.3	Very high	87.9	Confident	54 Å²	54	32.7 Å²	32.7	24%	0.235	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	159.9	-178	-75.2	178.9	174.7	171.6	0	112.4	E129 Y134 V184 R206 Q207 S209 D221	E129-K186 WeakPolarHBondContact OE2-CA 3.37Å; Y134-K186 WeakPolarHBondContact OH-CE 3.48Å; V184-K186 HydrophobicContact CG1-CG 4.2Å; K186-R206 VanDerWaalsContact O-CA 3.31Å; K186-R206 WeakPolarHBondContact O-CA 3.48Å; K186-Q207 PolarHBondContact N-O 3.43Å; K186-Q207 VanDerWaalsContact N-O 3.08Å; K186-Q207 PolarHBondContact O-N 2.82Å; K186-S209 WeakPolarHBondContact CD-OG 3.34Å; K186-S209 WeakPolarHBondContact CG-OG 3.47Å; K186-D221 WeakPolarHBondContact CE-OD1 3.28Å; K186-D221 IonicContact NZ-OD1 3.37Å; K186-D221 PolarHBondContact NZ-OD1 2.79Å; K186-D221 IonicContact NZ-OD2 3.72Å; K186-D221 PolarHBondContact NZ-OD2 2.82Å
187	Q	91.4	Very high	87.3	Confident	52 Å²	52	34.1 Å²	34.1	24%	0.243	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.8	174.5	-61.1	-169	-127.9	0	0	110.7	E129 F204 R206	E129-Q187 HydrophobicContact CB-CG 4.26Å; E129-Q187 HydrophobicContact CG-CG 4.16Å; E129-Q187 PolarHBondContact OE2-N 2.79Å; Q187-F204 VanDerWaalsContact NE2-CB 3.28Å; Q187-R206 HydrophobicContact CG-CG 4.33Å
188	T	86.6	Confident	86.7	Confident	64 Å²	64	39.2 Å²	39.2	39%	0.393	24%	0.239	S	C	.	.			trans	-91.2	-12.8	-177.7	37.8	0	0	0	0	114.2	S205 R206 Q207	T188-S205 PolarHBondContact N-O 3.21Å; T188-S205 VanDerWaalsContact N-O 3.09Å; T188-S205 WeakPolarHBondContact OG1-CB 3.47Å; T188-S205 PolarHBondContact OG1-O 3.1Å; T188-S205 PolarHBondContact OG1-OG 2.82Å; T188-R206 PolarHBondContact OG1-N 3Å; T188-Q207 HydrophobicContact CG2-CB 4.19Å; T188-Q207 HydrophobicContact CG2-CG 3.54Å
189	E	84.6	Confident	86.3	Confident	48 Å²	48	40.7 Å²	40.7	22%	0.224	25%	0.249	C	C	.	.	S	Bend	trans	-117.7	130.7	-179.8	-85	164.7	-137.3	0	0	111.2	K194 F204 S205	E189-K194 HydrophobicContact CB-CB 4.38Å; E189-K194 HydrophobicContact CB-CD 4.42Å; E189-K194 WeakPolarHBondContact OE2-CD 3.14Å; E189-K194 WeakPolarHBondContact OE2-CE 3.22Å; E189-K194 VanDerWaalsContact OE2-CG 3.25Å; E189-K194 WeakPolarHBondContact OE2-CG 3.33Å; E189-F204 HydrophobicContact CB-CD1 4.09Å; E189-F204 VanDerWaalsContact O-CD1 3.28Å; E189-F204 WeakPolarHBondContact O-CD1 3.12Å; E189-S205 VanDerWaalsContact CG-OG 3.26Å; E189-S205 WeakPolarHBondContact CG-OG 3.5Å; E189-S205 WeakPolarHBondContact OE1-CB 3.16Å; E189-S205 PolarHBondContact OE1-OG 3.35Å
190	T	84.1	Confident	85.9	Confident	44 Å²	44	48 Å²	48	27%	0.27	27%	0.271	S	S	.	.			trans	-87.2	164.3	170.9	59.2	0	0	0	0	111.9	K194 E672	T190-K194 WeakPolarHBondContact O-CB 3.43Å; T190-K194 PolarHBondContact O-N 3Å; T190-K194 VanDerWaalsContact O-N 3.13Å; T190-E672 WeakPolarHBondContact CB-OE2 3.24Å; T190-E672 PolarHBondContact OG1-OE2 2.81Å
191	S	83.1	Confident	85.3	Confident	77 Å²	77	52.8 Å²	52.8	54%	0.538	30%	0.298	S	S	.	.	H	α-helix	trans	-69.7	-46.1	-162.9	69.1	0	0	0	0	114.9	A195 E672	S191-A195 WeakPolarHBondContact O-CB 3.38Å; S191-A195 PolarHBondContact O-N 3.36Å; S191-A195 VanDerWaalsContact O-N 3.13Å; S191-E672 PolarHBondContact N-OE1 2.94Å; S191-E672 PolarHBondContact N-OE2 3.4Å; S191-E672 PolarHBondContact OG-OE1 2.93Å
192	A	81.5	Confident	84.7	Confident	11 Å²	11	55.2 Å²	55.2	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-80.1	-39.6	-175	0	0	0	0	0	111.8	A195 S196 Q668 Q669 E672	A192-A195 PolarHBondContact O-N 3.33Å; A192-S196 PolarHBondContact O-N 2.7Å; A192-S196 PolarHBondContact O-OG 3.34Å; A192-S196 VanDerWaalsContact O-OG 3.09Å; A192-Q668 HydrophobicContact CB-CB 3.8Å; A192-Q669 HydrophobicContact CB-CG 4.37Å; A192-E672 WeakPolarHBondContact CA-OE2 3.26Å; A192-E672 HydrophobicContact CB-CG 4.46Å; A192-E672 WeakPolarHBondContact CB-OE2 3.45Å; A192-E672 PolarHBondContact N-OE1 3.46Å; A192-E672 PolarHBondContact N-OE2 3.08Å
193	L	82.4	Confident	84.3	Confident	45 Å²	45	58.6 Å²	58.6	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-49.5	172.9	-68.3	-179	0	0	0	110.6	A195 S196 G197 Q669 E672 L676	L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.16Å; L193-S196 CarbonylContact O-C 3.49Å; L193-S196 WeakPolarHBondContact O-CA 3.23Å; L193-S196 PolarHBondContact O-N 2.73Å; L193-S196 PolarHBondContact O-OG 3.48Å; L193-G197 PolarHBondContact O-N 3.37Å; L193-Q669 HydrophobicContact CD2-CB 4.34Å; L193-E672 HydrophobicContact CD1-CB 4.02Å; L193-E672 HydrophobicContact CG-CB 3.91Å; L193-E672 PolarHBondContact N-OE2 3.15Å; L193-L676 HydrophobicContact CD1-CD1 3.58Å
194	K	84.4	Confident	83.9	Confident	19 Å²	19	61.7 Å²	61.7	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-40	175.5	-175.7	-177.1	-178.8	-167.5	0	113	E189 T190 S196 G197 R200 A202 L203 F204	E189-K194 HydrophobicContact CB-CB 4.38Å; E189-K194 HydrophobicContact CB-CD 4.42Å; E189-K194 WeakPolarHBondContact OE2-CD 3.14Å; E189-K194 WeakPolarHBondContact OE2-CE 3.22Å; E189-K194 VanDerWaalsContact OE2-CG 3.25Å; E189-K194 WeakPolarHBondContact OE2-CG 3.33Å; T190-K194 WeakPolarHBondContact O-CB 3.43Å; T190-K194 PolarHBondContact O-N 3Å; T190-K194 VanDerWaalsContact O-N 3.13Å; K194-S196 PolarHBondContact O-N 2.92Å; K194-G197 PolarHBondContact O-N 3.44Å; K194-R200 WeakPolarHBondContact O-CA 3.18Å; K194-R200 WeakPolarHBondContact O-CB 3.34Å; K194-A202 PolarHBondContact NZ-O 2.95Å; K194-L203 PolarHBondContact NZ-O 3.25Å; K194-F204 HydrophobicContact CD-CD1 3.63Å; K194-F204 HydrophobicContact CD-CE1 3.56Å; K194-F204 HydrophobicContact CD-CG 4.2Å; K194-F204 HydrophobicContact CD-CZ 4.06Å; K194-F204 VanDerWaalsContact NZ-N 3.12Å
195	A	78.6	Confident	83.6	Confident	48 Å²	48	63.4 Å²	63.4	40%	0.397	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	0.8	174.9	0	0	0	0	0	114.5	S191 A192 L193 K665	S191-A195 WeakPolarHBondContact O-CB 3.38Å; S191-A195 PolarHBondContact O-N 3.36Å; S191-A195 VanDerWaalsContact O-N 3.13Å; A192-A195 PolarHBondContact O-N 3.33Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.16Å; A195-K665 PolarHBondContact O-NZ 3.31Å
196	S	73.3	Confident	83.5	Confident	60 Å²	60	64.8 Å²	64.8	42%	0.42	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-11.2	166.9	30	0	0	0	0	114.4	A192 L193 K194 Q669	A192-S196 PolarHBondContact O-N 2.7Å; A192-S196 PolarHBondContact O-OG 3.34Å; A192-S196 VanDerWaalsContact O-OG 3.09Å; L193-S196 CarbonylContact O-C 3.49Å; L193-S196 WeakPolarHBondContact O-CA 3.23Å; L193-S196 PolarHBondContact O-N 2.73Å; L193-S196 PolarHBondContact O-OG 3.48Å; K194-S196 PolarHBondContact O-N 2.92Å; S196-Q669 PolarHBondContact OG-NE2 3.18Å
197	G	78.3	Confident	83.4	Confident	31 Å²	31	67.7 Å²	67.7	32%	0.32	38%	0.382	S	S	.	.	S	Bend	trans	-74.6	166.5	179.3	0	0	0	0	0	113.2	L193 K194 N199 R200	L193-G197 PolarHBondContact O-N 3.37Å; K194-G197 PolarHBondContact O-N 3.44Å; G197-N199 PolarHBondContact O-N 3.38Å; G197-R200 WeakPolarHBondContact O-CB 3.41Å; G197-R200 PolarHBondContact O-N 2.89Å
198	T	73.4	Confident	83.5	Confident	137 Å²	137	67.1 Å²	67.1	84%	0.84	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.2	172.6	46.2	0	0	0	0	111.9	R200	T198-R200 VanDerWaalsContact C-N 3.27Å; T198-R200 PolarHBondContact O-N 3.23Å
199	N	79.9	Confident	83.7	Confident	92 Å²	92	66.6 Å²	66.6	49%	0.492	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	20	-176.7	-68.5	-7.5	0	0	0	114.7	G197 N201 A202	G197-N199 PolarHBondContact O-N 3.38Å; N199-N201 PolarHBondContact O-N 2.98Å; N199-A202 HydrophobicContact CB-CB 4.26Å; N199-A202 WeakPolarHBondContact O-CB 3.28Å; N199-A202 PolarHBondContact O-N 3.46Å
200	R	78.3	Confident	84	Confident	174 Å²	174	64.9 Å²	64.9	66%	0.657	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-30.2	-176.9	55.3	166	174.5	173.7	-3.1	115.9	K194 G197 T198	K194-R200 WeakPolarHBondContact O-CA 3.18Å; K194-R200 WeakPolarHBondContact O-CB 3.34Å; G197-R200 WeakPolarHBondContact O-CB 3.41Å; G197-R200 PolarHBondContact O-N 2.89Å; T198-R200 VanDerWaalsContact C-N 3.27Å; T198-R200 PolarHBondContact O-N 3.23Å
201	N	78.4	Confident	84.5	Confident	149 Å²	149	63.2 Å²	63.2	80%	0.797	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.5	-177.9	-66.9	5.1	0	0	0	114	N199	N199-N201 PolarHBondContact O-N 2.98Å
202	A	82.7	Confident	85.1	Confident	55 Å²	55	59.8 Å²	59.8	46%	0.455	34%	0.337	S	S	.	.	S	Bend	trans	-83.5	175.8	-179.4	0	0	0	0	0	112.1	K194 N199	K194-A202 PolarHBondContact NZ-O 2.95Å; N199-A202 HydrophobicContact CB-CB 4.26Å; N199-A202 WeakPolarHBondContact O-CB 3.28Å; N199-A202 PolarHBondContact O-N 3.46Å
203	L	86.9	Confident	85.7	Confident	71 Å²	71	59.2 Å²	59.2	37%	0.372	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.4	162.5	164.3	-168.4	61	0	0	0	110.1	P109 L110 K194	P109-L203 HydrophobicContact CB-CD2 4.29Å; P109-L203 WeakPolarHBondContact O-CD2 3.36Å; L110-L203 HydrophobicContact CB-CD2 3.99Å; L110-L203 HydrophobicContact CD1-CD2 4.14Å; K194-L203 PolarHBondContact NZ-O 3.25Å
204	F	89	Confident	86	Confident	64 Å²	64	58.2 Å²	58.2	28%	0.281	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-65.8	134	169	-75.1	-90.5	0	0	0	110	Q113 Q187 E189 K194 R206	Q113-F204 PolarHBondContact NE2-O 2.86Å; Q113-F204 VanDerWaalsContact NE2-O 3.08Å; Q187-F204 VanDerWaalsContact NE2-CB 3.28Å; E189-F204 HydrophobicContact CB-CD1 4.09Å; E189-F204 VanDerWaalsContact O-CD1 3.28Å; E189-F204 WeakPolarHBondContact O-CD1 3.12Å; K194-F204 HydrophobicContact CD-CD1 3.63Å; K194-F204 HydrophobicContact CD-CE1 3.56Å; K194-F204 HydrophobicContact CD-CG 4.2Å; K194-F204 HydrophobicContact CD-CZ 4.06Å; K194-F204 VanDerWaalsContact NZ-N 3.12Å; F204-R206 PolarHBondContact O-NH1 2.76Å
205	S	90.1	Very high	86.4	Confident	37 Å²	37	57.3 Å²	57.3	26%	0.259	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64	150	167.9	51.7	0	0	0	0	110.6	T188 E189	T188-S205 PolarHBondContact N-O 3.21Å; T188-S205 VanDerWaalsContact N-O 3.09Å; T188-S205 WeakPolarHBondContact OG1-CB 3.47Å; T188-S205 PolarHBondContact OG1-O 3.1Å; T188-S205 PolarHBondContact OG1-OG 2.82Å; E189-S205 VanDerWaalsContact CG-OG 3.26Å; E189-S205 WeakPolarHBondContact CG-OG 3.5Å; E189-S205 WeakPolarHBondContact OE1-CB 3.16Å; E189-S205 PolarHBondContact OE1-OG 3.35Å
206	R	92.4	Very high	87	Confident	28 Å²	28	55 Å²	55	11%	0.106	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148.5	-178.6	-70.7	-175.3	176	69	11.4	109.1	E129 V185 K186 Q187 T188 F204	E129-R206 VanDerWaalsContact O-CZ 3.25Å; E129-R206 PolarHBondContact O-NE 3.4Å; E129-R206 PolarHBondContact O-NH2 3.44Å; V185-R206 HydrophobicContact CG1-CB 3.84Å; V185-R206 HydrophobicContact CG1-CG 4.47Å; K186-R206 VanDerWaalsContact O-CA 3.31Å; K186-R206 WeakPolarHBondContact O-CA 3.48Å; Q187-R206 HydrophobicContact CG-CG 4.33Å; T188-R206 PolarHBondContact OG1-N 3Å; F204-R206 PolarHBondContact O-NH1 2.76Å
207	Q	92.9	Very high	87.8	Confident	116 Å²	116	53.9 Å²	53.9	54%	0.542	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.6	169.7	74.3	-166.4	12.5	0	0	110.3	V185 K186 T188 S209	V185-Q207 WeakPolarHBondContact CA-O 3.32Å; K186-Q207 PolarHBondContact N-O 3.43Å; K186-Q207 VanDerWaalsContact N-O 3.08Å; K186-Q207 PolarHBondContact O-N 2.82Å; T188-Q207 HydrophobicContact CG2-CB 4.19Å; T188-Q207 HydrophobicContact CG2-CG 3.54Å; Q207-S209 PolarHBondContact O-N 3.41Å
208	L	93	Very high	88.2	Confident	40 Å²	40	52.6 Å²	52.6	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	116.8	166	-178.8	65.7	0	0	0	108.6	H121 V185 A210 L211	H121-L208 WeakPolarHBondContact NE2-CD2 3.2Å; V185-L208 HydrophobicContact CG2-CB 4.46Å; V185-L208 HydrophobicContact CG2-CD1 4.21Å; L208-A210 WeakPolarHBondContact CD1-O 3.34Å; L208-L211 HydrophobicContact CD1-CD2 4.05Å; L208-L211 HydrophobicContact CD1-CG 4.4Å; L208-L211 HydrophobicContact CD2-CD1 4.22Å; L208-L211 HydrophobicContact CD2-CD2 3.91Å; L208-L211 HydrophobicContact CD2-CG 3.91Å; L208-L211 HydrophobicContact CG-CG 4.46Å
209	S	90.5	Very high	88.7	Confident	53 Å²	53	46.1 Å²	46.1	37%	0.371	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-27	-179.6	59.3	0	0	0	0	113	V184 K186 Q207	V184-S209 PolarHBondContact O-N 2.92Å; V184-S209 PolarHBondContact O-OG 2.95Å; V184-S209 VanDerWaalsContact O-OG 3.04Å; K186-S209 WeakPolarHBondContact CD-OG 3.34Å; K186-S209 WeakPolarHBondContact CG-OG 3.47Å; Q207-S209 PolarHBondContact O-N 3.41Å
210	A	91.9	Very high	88.8	Confident	12 Å²	12	45.7 Å²	45.7	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.2	176.9	0	0	0	0	0	111.6	V184 L208 Y212	V184-A210 PolarHBondContact N-O 2.97Å; V184-A210 PolarHBondContact O-N 2.97Å; L208-A210 WeakPolarHBondContact CD1-O 3.34Å; A210-Y212 HydrophobicContact CB-CD2 4.5Å; A210-Y212 HydrophobicContact CB-CE2 3.59Å; A210-Y212 WeakPolarHBondContact CB-OH 3.42Å
211	L	94.6	Very high	89.1	Confident	8 Å²	8	39 Å²	39	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.8	166.2	-72.3	169.2	0	0	0	109.5	V124 V182 L208 E387 F388	V124-L211 HydrophobicContact CB-CD2 4.38Å; V124-L211 HydrophobicContact CG1-CD2 3.56Å; V124-L211 HydrophobicContact CG2-CD2 3.82Å; V182-L211 CarbonylContact O-C 3.56Å; V182-L211 WeakPolarHBondContact O-CA 3.5Å; L208-L211 HydrophobicContact CD1-CD2 4.05Å; L208-L211 HydrophobicContact CD1-CG 4.4Å; L208-L211 HydrophobicContact CD2-CD1 4.22Å; L208-L211 HydrophobicContact CD2-CD2 3.91Å; L208-L211 HydrophobicContact CD2-CG 3.91Å; L208-L211 HydrophobicContact CG-CG 4.46Å; L211-E387 HydrophobicContact CD1-CB 4.09Å; L211-F388 HydrophobicContact CB-CD1 3.54Å; L211-F388 HydrophobicContact CB-CE1 3.52Å; L211-F388 HydrophobicContact CB-CG 4.35Å; L211-F388 HydrophobicContact CB-CZ 4.32Å; L211-F388 WeakPolarHBondContact O-CD1 3.35Å
212	Y	94.3	Very high	89.4	Confident	5 Å²	5	32 Å²	32	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	135.1	177.3	-60.9	-72.3	0	0	0	111.8	V172 K181 V182 V184 A210 L217 V222	V172-Y212 HydrophobicContact CG1-CD2 3.82Å; V172-Y212 HydrophobicContact CG1-CG 4.02Å; K181-Y212 WeakPolarHBondContact CA-O 3.12Å; V182-Y212 PolarHBondContact N-O 2.89Å; V182-Y212 PolarHBondContact O-N 2.9Å; V184-Y212 HydrophobicContact CB-CE2 4.47Å; V184-Y212 HydrophobicContact CG2-CD2 4.04Å; V184-Y212 HydrophobicContact CG2-CE2 3.74Å; A210-Y212 HydrophobicContact CB-CD2 4.5Å; A210-Y212 HydrophobicContact CB-CE2 3.59Å; A210-Y212 WeakPolarHBondContact CB-OH 3.42Å; Y212-L217 HydrophobicContact CD1-CD2 4.32Å; Y212-V222 HydrophobicContact CD1-CG1 3.99Å; Y212-V222 HydrophobicContact CD1-CG2 4.25Å; Y212-V222 HydrophobicContact CD2-CG1 4.24Å; Y212-V222 HydrophobicContact CE1-CB 4.48Å; Y212-V222 HydrophobicContact CE1-CG1 3.83Å; Y212-V222 HydrophobicContact CE1-CG2 3.76Å; Y212-V222 HydrophobicContact CE2-CG1 4.09Å; Y212-V222 HydrophobicContact CG-CG1 4.2Å
213	T	93.8	Very high	89.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.			trans	-139.8	177.7	172.3	59.9	0	0	0	0	108.8	V176 K181 S215 T216 E301 F388	V176-T213 WeakPolarHBondContact CG1-O 3.32Å; K181-T213 HydrophobicContact CB-CG2 3.93Å; K181-T213 HydrophobicContact CD-CG2 4.47Å; K181-T213 HydrophobicContact CG-CG2 3.7Å; T213-S215 PolarHBondContact O-N 3.5Å; T213-T216 PolarHBondContact N-OG1 3.07Å; T213-T216 PolarHBondContact O-N 3.42Å; T213-T216 VanDerWaalsContact O-N 3.09Å; T213-T216 PolarHBondContact O-OG1 2.85Å; T213-T216 PolarHBondContact OG1-OG1 3.1Å; T213-E301 WeakPolarHBondContact CB-OE1 3.49Å; T213-E301 WeakPolarHBondContact CB-OE2 3.38Å; T213-E301 WeakPolarHBondContact CG2-OE1 3.41Å; T213-E301 PolarHBondContact OG1-OE1 3Å; T213-E301 PolarHBondContact OG1-OE2 3.19Å; T213-F388 HydrophobicContact CG2-CE1 3.92Å; T213-F388 HydrophobicContact CG2-CZ 3.77Å
214	K	89.9	Confident	88.8	Confident	23 Å²	23	30 Å²	30	10%	0.1	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.3	-174.1	-69.7	-162.7	175.2	-165.7	0	113.4	V176 S177 V300 D327 R329	V176-K214 HydrophobicContact CG1-CB 4.48Å; V176-K214 HydrophobicContact CG1-CG 4.07Å; V176-K214 WeakPolarHBondContact O-CE 3.31Å; V176-K214 VanDerWaalsContact O-CG 3.3Å; V176-K214 WeakPolarHBondContact O-CG 3.46Å; S177-K214 WeakPolarHBondContact O-CE 3.5Å; S177-K214 PolarHBondContact O-NZ 3.43Å; K214-V300 HydrophobicContact CB-CB 3.94Å; K214-V300 HydrophobicContact CB-CG2 3.71Å; K214-V300 HydrophobicContact CD-CB 4.46Å; K214-D327 PolarHBondContact NZ-O 3.35Å; K214-R329 WeakPolarHBondContact CE-O 3.4Å; K214-R329 PolarHBondContact NZ-O 3.32Å
215	S	91.7	Very high	87.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-17.5	178.8	64.6	0	0	0	0	114.9	T213 S246 P271 E301	T213-S215 PolarHBondContact O-N 3.5Å; S215-S246 WeakPolarHBondContact CB-O 3.38Å; S215-P271 WeakPolarHBondContact O-CD 3.37Å; S215-E301 WeakPolarHBondContact CB-OE2 3.36Å; S215-E301 PolarHBondContact N-OE2 3Å; S215-E301 VanDerWaalsContact N-OE2 3.15Å; S215-E301 PolarHBondContact OG-OE2 3.15Å
216	T	92.4	Very high	86.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.176	C	C	.	.			trans	-110.9	19.8	-165.2	59.3	0	0	0	0	114.8	T213 V218 F388 L390	T213-T216 PolarHBondContact N-OG1 3.07Å; T213-T216 PolarHBondContact O-N 3.42Å; T213-T216 VanDerWaalsContact O-N 3.09Å; T213-T216 PolarHBondContact O-OG1 2.85Å; T213-T216 PolarHBondContact OG1-OG1 3.1Å; T216-V218 PolarHBondContact O-N 2.97Å; T216-F388 HydrophobicContact CG2-CD1 3.69Å; T216-F388 HydrophobicContact CG2-CD2 4.16Å; T216-F388 HydrophobicContact CG2-CE1 3.88Å; T216-F388 HydrophobicContact CG2-CE2 4.35Å; T216-F388 HydrophobicContact CG2-CG 3.85Å; T216-F388 HydrophobicContact CG2-CZ 4.22Å; T216-F388 WeakPolarHBondContact OG1-CD1 3.07Å; T216-F388 WeakPolarHBondContact OG1-CE1 2.99Å; T216-L390 HydrophobicContact CG2-CD1 3.85Å
217	L	89.1	Confident	83.9	Confident	35 Å²	35	38.8 Å²	38.8	18%	0.183	20%	0.202	C	C	.	.			trans	-68.4	69.2	177.3	-72.4	172.5	0	0	0	113.5	R173 V176 Y212 V222 N223	R173-L217 HydrophobicContact CG-CD2 4.23Å; V176-L217 HydrophobicContact CB-CD2 4.37Å; V176-L217 HydrophobicContact CG1-CD1 3.97Å; V176-L217 HydrophobicContact CG1-CD2 4.11Å; V176-L217 HydrophobicContact CG1-CG 4.1Å; V176-L217 HydrophobicContact CG2-CD2 4.29Å; Y212-L217 HydrophobicContact CD1-CD2 4.32Å; L217-V222 HydrophobicContact CD2-CB 4.32Å; L217-V222 HydrophobicContact CD2-CG1 4.22Å; L217-V222 HydrophobicContact CD2-CG2 4.43Å; L217-N223 PolarHBondContact O-ND2 3.32Å; L217-N223 VanDerWaalsContact O-ND2 3.16Å
218	V	86.8	Confident	81.4	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.024	22%	0.215	C	C	.	.			trans	-127.8	119.1	-176.5	-178	0	0	0	0	110.8	T216 L390 K507	T216-V218 PolarHBondContact O-N 2.97Å; V218-L390 HydrophobicContact CB-CD2 4.04Å; V218-L390 HydrophobicContact CG1-CD2 4.1Å; V218-L390 HydrophobicContact CG2-CD2 4.4Å; V218-K507 HydrophobicContact CG1-CD 4.4Å; V218-K507 WeakPolarHBondContact O-CD 3.41Å
219	G	83.7	Confident	78.3	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	133.1	168.7	168.4	0	0	0	0	0	115.2	D221 V222 N223 K507	G219-D221 PolarHBondContact O-N 3.38Å; G219-D221 VanDerWaalsContact O-N 3.15Å; G219-V222 WeakPolarHBondContact O-CG2 3.35Å; G219-V222 PolarHBondContact O-N 3.13Å; G219-V222 VanDerWaalsContact O-N 3.11Å; G219-N223 PolarHBondContact O-N 3.37Å; G219-N223 VanDerWaalsContact O-N 3.08Å; G219-K507 WeakPolarHBondContact CA-O 3.25Å
220	E	83.1	Confident	75.4	Confident	84 Å²	84	46.8 Å²	46.8	39%	0.393	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.6	-172.9	65.4	-179.1	175.7	0	0	115.2	V222 K507 S509 K574	E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 2.81Å; E220-K507 PolarHBondContact N-O 2.86Å; E220-S509 VanDerWaalsContact OE2-CA 3.28Å; E220-S509 WeakPolarHBondContact OE2-CA 3.05Å; E220-S509 VanDerWaalsContact OE2-CB 3.28Å; E220-S509 WeakPolarHBondContact OE2-CB 3.49Å; E220-K574 IonicContact OE1-NZ 2.7Å; E220-K574 IonicContact OE2-NZ 3.44Å
221	D	84.4	Confident	72.6	Confident	34 Å²	34	49.7 Å²	49.7	18%	0.182	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.6	177.6	-74.4	-47.3	0	0	0	114.6	L168 F169 K186 G219	L168-D221 HydrophobicContact CD2-CB 3.98Å; F169-D221 VanDerWaalsContact CA-O 3.32Å; F169-D221 WeakPolarHBondContact CA-O 3.38Å; F169-D221 VanDerWaalsContact CB-O 3.28Å; F169-D221 WeakPolarHBondContact CB-O 3.23Å; F169-D221 PolarHBondContact N-O 3.19Å; K186-D221 WeakPolarHBondContact CE-OD1 3.28Å; K186-D221 IonicContact NZ-OD1 3.37Å; K186-D221 PolarHBondContact NZ-OD1 2.79Å; K186-D221 IonicContact NZ-OD2 3.72Å; K186-D221 PolarHBondContact NZ-OD2 2.82Å; G219-D221 PolarHBondContact O-N 3.38Å; G219-D221 VanDerWaalsContact O-N 3.15Å
222	V	83.6	Confident	69.5	Low	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-20.4	-176.6	-66.4	0	0	0	0	114.3	V172 R173 Y212 L217 G219 E220 P224	V172-V222 HydrophobicContact CB-CG1 4.21Å; V172-V222 HydrophobicContact CG1-CG1 3.68Å; R173-V222 WeakPolarHBondContact CD-O 3.45Å; R173-V222 PolarHBondContact NH1-O 3.49Å; Y212-V222 HydrophobicContact CD1-CG1 3.99Å; Y212-V222 HydrophobicContact CD1-CG2 4.25Å; Y212-V222 HydrophobicContact CD2-CG1 4.24Å; Y212-V222 HydrophobicContact CE1-CB 4.48Å; Y212-V222 HydrophobicContact CE1-CG1 3.83Å; Y212-V222 HydrophobicContact CE1-CG2 3.76Å; Y212-V222 HydrophobicContact CE2-CG1 4.09Å; Y212-V222 HydrophobicContact CG-CG1 4.2Å; L217-V222 HydrophobicContact CD2-CB 4.32Å; L217-V222 HydrophobicContact CD2-CG1 4.22Å; L217-V222 HydrophobicContact CD2-CG2 4.43Å; G219-V222 WeakPolarHBondContact O-CG2 3.35Å; G219-V222 PolarHBondContact O-N 3.13Å; G219-V222 VanDerWaalsContact O-N 3.11Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 2.81Å; V222-P224 VanDerWaalsContact O-CD 3.23Å; V222-P224 WeakPolarHBondContact O-CD 3.49Å
223	N	80.8	Confident	66.3	Low	42 Å²	42	67.5 Å²	67.5	23%	0.225	36%	0.361	C	S	.	.			trans	-117.2	78.5	-176.5	-64.7	-20.5	0	0	0	111.1	L217 G219	L217-N223 PolarHBondContact O-ND2 3.32Å; L217-N223 VanDerWaalsContact O-ND2 3.16Å; G219-N223 PolarHBondContact O-N 3.37Å; G219-N223 VanDerWaalsContact O-N 3.08Å
224	P	76.4	Confident	63	Low	43 Å²	43	70.6 Å²	70.6	28%	0.279	39%	0.393	S	S	.	.			trans	-72.5	146.4	176.4	32.1	-36.9	0	0	0	111.9	F169 V222 C226	F169-P224 HydrophobicContact CD1-CG 4.42Å; F169-P224 HydrophobicContact CD2-CG 3.66Å; F169-P224 HydrophobicContact CE1-CG 4.48Å; F169-P224 HydrophobicContact CE2-CG 3.73Å; F169-P224 HydrophobicContact CG-CG 4.02Å; F169-P224 HydrophobicContact CZ-CG 4.15Å; V222-P224 VanDerWaalsContact O-CD 3.23Å; V222-P224 WeakPolarHBondContact O-CD 3.49Å; P224-C226 PolarHBondContact O-N 3.13Å
225	V	69.9	Low	60.3	Low	46 Å²	46	73.9 Å²	73.9	28%	0.279	43%	0.433	S	S	.	.			trans	-84.3	94.4	172	-175.5	0	0	0	0	109.2	Q511 E512 L515	V225-Q511 HydrophobicContact CB-CB 4.37Å; V225-Q511 HydrophobicContact CG2-CB 4.06Å; V225-E512 HydrophobicContact CG2-CB 3.92Å; V225-L515 HydrophobicContact CG1-CD2 4.01Å
226	C	55.8	Low	57.1	Low	92 Å²	92	79.6 Å²	79.6	62%	0.622	47%	0.472	S	S	*	.			trans	-62.7	143.9	172.6	-63.1	0	0	0	0	110.9	P224	P224-C226 PolarHBondContact O-N 3.13Å
227	R	43.9	Very low	54	Low	176 Å²	176	83.4 Å²	83.4	66%	0.664	50%	0.503	S	S	*	.			trans	-99.1	139	174.6	-67.4	-176.1	179.4	-177.8	0.4	109.7	A229 K570	R227-A229 PolarHBondContact O-N 3.44Å; R227-A229 VanDerWaalsContact O-N 3.09Å; R227-K570 PolarHBondContact NH2-O 3.09Å
228	V	39.3	Very low	51.1	Low	134 Å²	134	88.5 Å²	88.5	81%	0.812	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-69.9	-1.5	-178.2	-175.8	0	0	0	0	113.3	D230	V228-D230 PolarHBondContact O-N 2.81Å
229	A	28.8	Very low	48.3	Very low	86 Å²	86	92.5 Å²	92.5	71%	0.711	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-84	-4.1	-160.9	0	0	0	0	0	116.3	R227	R227-A229 PolarHBondContact O-N 3.44Å; R227-A229 VanDerWaalsContact O-N 3.09Å
230	D	28.4	Very low	45.9	Very low	156 Å²	156	96.6 Å²	96.6	83%	0.834	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-103.9	15.5	-179.8	-62.1	-43.4	0	0	0	112.5	V228	V228-D230 PolarHBondContact O-N 2.81Å
231	V	33.8	Very low	43.6	Very low	73 Å²	73	97.3 Å²	97.3	44%	0.442	59%	0.594	S	S	.	*			trans	-124.6	76.3	-176	-168.5	0	0	0	0	111.3
232	E	30.1	Very low	41.6	Very low	184 Å²	184	98 Å²	98	86%	0.86	60%	0.597	S	S	*	*			trans	-107.1	147.4	154	-70.4	-170	150.4	0	0	108.8
233	E	26.7	Very low	40.1	Very low	203 Å²	203	99.6 Å²	99.6	95%	0.949	61%	0.608	S	S	*	*	S	Bend	trans	62.1	97.6	-175.5	-56.6	-163.6	149	0	0	117.3
234	G	24.6	Very low	39	Very low	66 Å²	66	101.5 Å²	101.5	68%	0.68	62%	0.623	S	S	*	*			trans	126.5	113.5	161.8	0	0	0	0	0	114.3	C236	G234-C236 PolarHBondContact O-N 2.97Å; G234-C236 VanDerWaalsContact O-N 3.15Å
235	G	32.8	Very low	38.7	Very low	92 Å²	92	100.9 Å²	100.9	95%	0.948	62%	0.617	S	S	*	*			trans	-75.8	101	-177	0	0	0	0	0	113.9
236	C	24.3	Very low	39.3	Very low	119 Å²	119	99.1 Å²	99.1	80%	0.804	61%	0.607	S	S	*	*			trans	-139.4	154.9	153.2	-159.8	0	0	0	0	109.6	G234 D238	G234-C236 PolarHBondContact O-N 2.97Å; G234-C236 VanDerWaalsContact O-N 3.15Å; C236-D238 PolarHBondContact O-N 3.01Å
237	A	27.5	Very low	41.1	Very low	81 Å²	81	95.6 Å²	95.6	67%	0.669	58%	0.581	S	S	*	*			trans	-87	91	-167.8	0	0	0	0	0	112.7	V239	A237-V239 HydrophobicContact CB-CG2 4.31Å; A237-V239 PolarHBondContact O-N 3.01Å
238	D	28.6	Very low	43.5	Very low	142 Å²	142	87.2 Å²	87.2	76%	0.759	55%	0.55	S	S	*	.			trans	-72.3	62.9	168.9	-95.6	3.9	0	0	0	112.1	C236	C236-D238 PolarHBondContact O-N 3.01Å
239	V	28.7	Very low	46.2	Very low	89 Å²	89	81 Å²	81	54%	0.539	51%	0.511	S	S	.	.			trans	-67.9	148.6	155.9	-165.3	0	0	0	0	107.3	A237 S241	A237-V239 HydrophobicContact CB-CG2 4.31Å; A237-V239 PolarHBondContact O-N 3.01Å; V239-S241 PolarHBondContact O-N 3.22Å
240	V	33.1	Very low	49.5	Very low	87 Å²	87	76.9 Å²	76.9	53%	0.527	48%	0.478	S	S	.	.			trans	-62.4	91.4	156.3	174.9	0	0	0	0	106.2	D242	V240-D242 VanDerWaalsContact O-CA 3.3Å; V240-D242 WeakPolarHBondContact O-CA 3.43Å; V240-D242 PolarHBondContact O-N 3.32Å
241	S	34.6	Very low	52.7	Low	98 Å²	98	69.4 Å²	69.4	69%	0.685	44%	0.438	S	S	*	.			trans	-34.3	103.5	-164.3	-178.6	0	0	0	0	110.8	V239 P243	V239-S241 PolarHBondContact O-N 3.22Å; S241-P243 WeakPolarHBondContact O-CD 3.4Å
242	D	41.7	Very low	55.6	Low	48 Å²	48	66.4 Å²	66.4	26%	0.257	42%	0.42	S	S	.	.			trans	-58.3	105.9	-156.4	-173	-1.8	0	0	0	107.8	V240 P244 R498	V240-D242 VanDerWaalsContact O-CA 3.3Å; V240-D242 WeakPolarHBondContact O-CA 3.43Å; V240-D242 PolarHBondContact O-N 3.32Å; D242-P244 VanDerWaalsContact O-N 3.13Å; D242-R498 IonicContact OD1-CZ 2.68Å; D242-R498 IonicContact OD1-NH1 2.71Å; D242-R498 PolarHBondContact OD1-NH1 3.34Å
243	P	52.2	Low	58.5	Low	35 Å²	35	59.4 Å²	59.4	23%	0.227	39%	0.387	C	S	.	.			trans	-60.8	126.9	-169.2	10.7	-16.1	0	0	0	107.5	S241 R498	S241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-R498 PolarHBondContact O-NH2 2.95Å
244	P	58.4	Low	61.6	Low	82 Å²	82	53.6 Å²	53.6	53%	0.532	36%	0.363	S	S	.	.			trans	-56.9	153.6	-172.9	22.1	-33.4	0	0	0	110.6	D242 S246	D242-P244 VanDerWaalsContact O-N 3.13Å; P244-S246 WeakPolarHBondContact O-CA 3.35Å; P244-S246 PolarHBondContact O-N 3.34Å
245	D	68.7	Low	64.5	Low	29 Å²	29	57.2 Å²	57.2	16%	0.155	36%	0.356	C	S	.	.			trans	-50.2	101.9	-167.5	-85	-49.1	0	0	0	112.5	F247 Q270 R449	D245-F247 HydrophobicContact CB-CD2 3.91Å; D245-F247 HydrophobicContact CB-CE2 3.89Å; D245-F247 PolarHBondContact O-N 3.04Å; D245-Q270 PolarHBondContact OD1-NE2 2.9Å; D245-R449 WeakPolarHBondContact OD1-CD 3.32Å; D245-R449 WeakPolarHBondContact OD1-CG 3.37Å
246	S	84.1	Confident	66.9	Low	10 Å²	10	54.7 Å²	54.7	7%	0.07	32%	0.32	C	S	.	.			trans	-83	50.4	-160.3	74.3	0	0	0	0	112.9	S215 P244 S272	S215-S246 WeakPolarHBondContact CB-O 3.38Å; P244-S246 WeakPolarHBondContact O-CA 3.35Å; P244-S246 PolarHBondContact O-N 3.34Å; S246-S272 PolarHBondContact OG-OG 3.45Å
247	F	91.9	Very high	69.7	Low	18 Å²	18	57.8 Å²	57.8	8%	0.079	32%	0.32	C	S	.	.			trans	-70.9	132.1	-178.5	-75.7	-80.2	0	0	0	112	D245 A268 Q270 F277 I297 P299 V300 E301	D245-F247 HydrophobicContact CB-CD2 3.91Å; D245-F247 HydrophobicContact CB-CE2 3.89Å; D245-F247 PolarHBondContact O-N 3.04Å; F247-A268 HydrophobicContact CD1-CB 4.31Å; F247-Q270 HydrophobicContact CD1-CB 3.7Å; F247-Q270 HydrophobicContact CE1-CB 3.55Å; F247-Q270 HydrophobicContact CE1-CG 4.45Å; F247-Q270 HydrophobicContact CG-CB 4.24Å; F247-Q270 HydrophobicContact CZ-CB 3.99Å; F247-Q270 HydrophobicContact CZ-CG 4.47Å; F247-Q270 VanDerWaalsContact CZ-OE1 3.28Å; F247-F277 AromaticContact CE1-CD2 3.67Å; F247-F277 HydrophobicContact CE1-CD2 3.67Å; F247-F277 AromaticContact CE1-CE2 3.61Å; F247-F277 HydrophobicContact CE1-CE2 3.61Å; F247-F277 HydrophobicContact CZ-CD2 4.26Å; F247-F277 AromaticContact CZ-CE2 3.77Å; F247-F277 HydrophobicContact CZ-CE2 3.77Å; F247-I297 HydrophobicContact CB-CG2 3.63Å; F247-I297 HydrophobicContact CD1-CG2 4.01Å; F247-I297 HydrophobicContact CD2-CG2 4.08Å; F247-I297 WeakPolarHBondContact CD2-O 3.38Å; F247-I297 HydrophobicContact CG-CG2 3.64Å; F247-P299 HydrophobicContact CB-CB 4.27Å; F247-P299 WeakPolarHBondContact O-CA 3.2Å; F247-V300 PolarHBondContact O-N 3.41Å; F247-V300 VanDerWaalsContact O-N 3.08Å; F247-E301 PolarHBondContact O-N 3.32Å
248	L	95.3	Very high	72.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119	161.7	176.8	59.7	0	0	0	108.2	A268 V269 E301 L303 L381 Y384 L385	L248-A268 CarbonylContact O-C 3.53Å; L248-A268 VanDerWaalsContact O-CA 3.25Å; L248-A268 WeakPolarHBondContact O-CA 3.37Å; L248-V269 PolarHBondContact N-O 2.96Å; L248-V269 PolarHBondContact O-N 2.93Å; L248-E301 CarbonylContact C-O 3.48Å; L248-E301 WeakPolarHBondContact CA-O 3.31Å; L248-E301 HydrophobicContact CD1-CB 3.95Å; L248-E301 HydrophobicContact CD1-CG 3.72Å; L248-L303 HydrophobicContact CD1-CB 4.28Å; L248-L381 HydrophobicContact CD2-CD1 3.46Å; L248-L381 VanDerWaalsContact CD2-CD1 3.46Å; L248-L381 HydrophobicContact CG-CD1 3.98Å; L248-Y384 HydrophobicContact CD1-CE1 4.27Å; L248-Y384 HydrophobicContact CD2-CD1 3.67Å; L248-Y384 HydrophobicContact CD2-CE1 3.9Å; L248-L385 HydrophobicContact CD2-CD2 4.1Å
249	L	96	Very high	74.6	Confident	2 Å²	2	60 Å²	60	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.7	178.5	171.2	63.3	0	0	0	110.8	I251 V266 A268 I294 I297 P299 E301 V302 L303	L249-I251 HydrophobicContact CD1-CG1 4.36Å; L249-I251 HydrophobicContact CD2-CD1 4.02Å; L249-I251 HydrophobicContact CD2-CG1 4.11Å; L249-I251 HydrophobicContact CG-CD1 4.26Å; L249-I251 HydrophobicContact CG-CG1 3.84Å; L249-V266 HydrophobicContact CD1-CB 3.82Å; L249-V266 HydrophobicContact CD1-CG1 4.09Å; L249-A268 HydrophobicContact CD1-CB 4.04Å; L249-I294 HydrophobicContact CD2-CG1 3.74Å; L249-I297 HydrophobicContact CD1-CD1 4.12Å; L249-P299 HydrophobicContact CB-CB 3.74Å; L249-P299 HydrophobicContact CB-CG 4.08Å; L249-P299 HydrophobicContact CD2-CB 4.5Å; L249-P299 HydrophobicContact CD2-CG 3.91Å; L249-E301 PolarHBondContact N-O 3.34Å; L249-V302 HydrophobicContact CB-CG2 4.41Å; L249-V302 HydrophobicContact CG-CG1 4.47Å; L249-V302 CarbonylContact O-C 3.56Å; L249-V302 VanDerWaalsContact O-CA 3.23Å; L249-V302 WeakPolarHBondContact O-CA 3.5Å; L249-V302 WeakPolarHBondContact O-CG1 3.45Å; L249-L303 PolarHBondContact O-N 3.38Å
250	C	96.9	Very high	77.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.8	167.9	-166.4	0	0	0	0	110.2	V266 V267 L303 C377 L381	C250-V266 WeakPolarHBondContact O-CA 3.27Å; C250-V267 WeakPolarHBondContact CB-O 3.09Å; C250-V267 PolarHBondContact N-O 3.31Å; C250-V267 PolarHBondContact O-N 3.12Å; C250-L303 WeakPolarHBondContact CA-O 3.49Å; C250-L303 HydrophobicContact CB-CB 4.36Å; C250-L303 HydrophobicContact CB-CD2 4.41Å; C250-C377 HydrophobicContact CB-CB 4.09Å; C250-C377 PolarHBondContact SG-O 3.37Å; C250-L381 HydrophobicContact CB-CB 4.25Å; C250-L381 HydrophobicContact CB-CD1 4.38Å; C250-L381 HydrophobicContact CB-CD2 4.1Å; C250-L381 HydrophobicContact CB-CG 4.49Å
251	I	95.9	Very high	79.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.1	179.8	-47.6	175.3	0	0	0	109.7	L249 V264 V266 L290 V302 L303 V304 P305 L316	L249-I251 HydrophobicContact CD1-CG1 4.36Å; L249-I251 HydrophobicContact CD2-CD1 4.02Å; L249-I251 HydrophobicContact CD2-CG1 4.11Å; L249-I251 HydrophobicContact CG-CD1 4.26Å; L249-I251 HydrophobicContact CG-CG1 3.84Å; I251-V264 HydrophobicContact CG2-CG1 3.99Å; I251-V266 HydrophobicContact CG1-CG1 4.22Å; I251-V266 HydrophobicContact CG2-CG1 4.22Å; I251-L290 HydrophobicContact CD1-CD1 4.23Å; I251-L290 HydrophobicContact CG2-CD1 4.4Å; I251-L290 HydrophobicContact CG2-CD2 4.47Å; I251-V302 HydrophobicContact CD1-CG1 3.54Å; I251-V302 HydrophobicContact CG1-CG1 3.98Å; I251-L303 PolarHBondContact N-O 3.19Å; I251-V304 HydrophobicContact CB-CG1 4.34Å; I251-V304 HydrophobicContact CD1-CG1 4.48Å; I251-P305 VanDerWaalsContact O-CD 3.29Å; I251-P305 WeakPolarHBondContact O-CD 3.4Å; I251-L316 HydrophobicContact CD1-CD1 4.36Å; I251-L316 HydrophobicContact CD1-CD2 3.96Å
252	S	94.6	Very high	82.6	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.8	170	-172.2	0	0	0	0	109.3	G265 C376 C377	S252-G265 PolarHBondContact N-O 3.41Å; S252-G265 PolarHBondContact O-N 3.28Å; S252-G265 VanDerWaalsContact O-O 3.12Å; S252-C376 WeakPolarHBondContact OG-CB 3.37Å; S252-C377 WeakPolarHBondContact CB-SG 3.39Å; S252-C377 PolarHBondContact N-SG 3.49Å
253	E	92.7	Very high	85	Confident	38 Å²	38	57.6 Å²	57.6	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.8	177.4	66.1	-179.3	-171.4	0	0	110.5	L262 V264 R287 L308 S309 T312	E253-L262 HydrophobicContact CB-CD1 4.13Å; E253-L262 HydrophobicContact CB-CD2 4.3Å; E253-L262 HydrophobicContact CB-CG 4.38Å; E253-V264 HydrophobicContact CB-CG2 4.29Å; E253-R287 IonicContact OE2-NE 3.67Å; E253-R287 IonicContact OE2-NH2 2.75Å; E253-R287 PolarHBondContact OE2-NH2 2.98Å; E253-L308 HydrophobicContact CG-CD2 4.09Å; E253-S309 VanDerWaalsContact CD-OG 3.29Å; E253-S309 WeakPolarHBondContact OE1-CB 3.48Å; E253-S309 PolarHBondContact OE1-N 3.3Å; E253-S309 PolarHBondContact OE1-OG 3.15Å; E253-S309 PolarHBondContact OE2-OG 2.75Å; E253-T312 WeakPolarHBondContact OE2-CB 3.35Å; E253-T312 PolarHBondContact OE2-OG1 2.88Å
254	N	90.3	Very high	86.9	Confident	80 Å²	80	55.9 Å²	55.9	43%	0.428	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.2	-176.9	-171.9	0.4	0	0	0	110	D256 S263 P373	N254-D256 PolarHBondContact O-N 3.3Å; N254-S263 PolarHBondContact N-O 3.1Å; N254-S263 PolarHBondContact O-N 2.81Å; N254-P373 HydrophobicContact CB-CG 4.37Å
255	W	86.6	Confident	88.6	Confident	142 Å²	142	52 Å²	52	54%	0.538	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106.8	179.5	-174.5	-90.9	0	0	0	111.1	K257 K260 L262	W255-K257 PolarHBondContact O-N 3.23Å; W255-K260 WeakPolarHBondContact CH2-O 3.33Å; W255-K260 WeakPolarHBondContact CZ2-O 3.47Å; W255-L262 HydrophobicContact CE3-CB 4Å; W255-L262 HydrophobicContact CE3-CD1 4.09Å; W255-L262 HydrophobicContact CZ3-CB 4.09Å
256	D	82.8	Confident	89.9	Confident	39 Å²	39	50.7 Å²	50.7	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	103.1	175.7	-174	-28	0	0	0	109.4	N254 V258 K259 K260 Q261	N254-D256 PolarHBondContact O-N 3.3Å; D256-V258 PolarHBondContact O-N 2.99Å; D256-V258 WeakPolarHBondContact OD1-CA 3.42Å; D256-V258 WeakPolarHBondContact OD1-CB 3.49Å; D256-V258 PolarHBondContact OD1-N 3.34Å; D256-K259 HydrophobicContact CB-CB 4.21Å; D256-K259 PolarHBondContact OD1-N 3.27Å; D256-K259 WeakPolarHBondContact OD2-CD 3.3Å; D256-K259 VanDerWaalsContact OD2-CE 3.29Å; D256-K259 WeakPolarHBondContact OD2-CE 3.35Å; D256-K259 VanDerWaalsContact OD2-CG 3.24Å; D256-K259 WeakPolarHBondContact OD2-CG 3.31Å; D256-K259 IonicContact OD2-NZ 3.19Å; D256-K260 VanDerWaalsContact O-CA 3.24Å; D256-K260 WeakPolarHBondContact O-CA 3.17Å; D256-K260 PolarHBondContact O-N 3.12Å; D256-Q261 HydrophobicContact CB-CG 4.36Å; D256-Q261 PolarHBondContact N-O 3.22Å
257	K	82.9	Confident	90.5	Very high	184 Å²	184	50.2 Å²	50.2	80%	0.8	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.9	179.7	-63.8	177.8	-176.8	172.5	0	113.3	W255	W255-K257 PolarHBondContact O-N 3.23Å
258	V	80.8	Confident	90.6	Very high	133 Å²	133	49.4 Å²	49.4	81%	0.806	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-51.6	-179.2	-176	0	0	0	0	110	D256 K260	D256-V258 PolarHBondContact O-N 2.99Å; D256-V258 WeakPolarHBondContact OD1-CA 3.42Å; D256-V258 WeakPolarHBondContact OD1-CB 3.49Å; D256-V258 PolarHBondContact OD1-N 3.34Å; V258-K260 VanDerWaalsContact C-N 3.33Å
259	K	79.4	Confident	90.6	Very high	138 Å²	138	49.4 Å²	49.4	60%	0.6	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.5	178.7	-62	178.2	-161.2	162.1	0	113.6	D256 Q261	D256-K259 HydrophobicContact CB-CB 4.21Å; D256-K259 PolarHBondContact OD1-N 3.27Å; D256-K259 WeakPolarHBondContact OD2-CD 3.3Å; D256-K259 VanDerWaalsContact OD2-CE 3.29Å; D256-K259 WeakPolarHBondContact OD2-CE 3.35Å; D256-K259 VanDerWaalsContact OD2-CG 3.24Å; D256-K259 WeakPolarHBondContact OD2-CG 3.31Å; D256-K259 IonicContact OD2-NZ 3.19Å; K259-Q261 VanDerWaalsContact C-N 3.27Å; K259-Q261 HydrophobicContact CB-CG 3.83Å; K259-Q261 PolarHBondContact O-N 2.9Å
260	K	85.1	Confident	90.4	Very high	167 Å²	167	49.6 Å²	49.6	73%	0.726	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	37.4	-175	-56.4	-179.7	-178.8	176.7	0	113.2	W255 D256 V258	W255-K260 WeakPolarHBondContact CH2-O 3.33Å; W255-K260 WeakPolarHBondContact CZ2-O 3.47Å; D256-K260 VanDerWaalsContact O-CA 3.24Å; D256-K260 WeakPolarHBondContact O-CA 3.17Å; D256-K260 PolarHBondContact O-N 3.12Å; V258-K260 VanDerWaalsContact C-N 3.33Å
261	Q	87	Confident	90.1	Very high	65 Å²	65	49.6 Å²	49.6	30%	0.304	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.5	179.4	74.5	-169.9	25.1	0	0	110	D256 K259	D256-Q261 HydrophobicContact CB-CG 4.36Å; D256-Q261 PolarHBondContact N-O 3.22Å; K259-Q261 VanDerWaalsContact C-N 3.27Å; K259-Q261 HydrophobicContact CB-CG 3.83Å; K259-Q261 PolarHBondContact O-N 2.9Å
262	L	90.4	Very high	89.8	Confident	16 Å²	16	50 Å²	50	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.1	165.5	-169.2	75.2	0	0	0	109	E253 W255 V264 P282 D283 R287	E253-L262 HydrophobicContact CB-CD1 4.13Å; E253-L262 HydrophobicContact CB-CD2 4.3Å; E253-L262 HydrophobicContact CB-CG 4.38Å; W255-L262 HydrophobicContact CE3-CB 4Å; W255-L262 HydrophobicContact CE3-CD1 4.09Å; W255-L262 HydrophobicContact CZ3-CB 4.09Å; L262-V264 HydrophobicContact CD2-CG2 3.88Å; L262-V264 HydrophobicContact CG-CG2 4.24Å; L262-P282 VanDerWaalsContact O-CA 3.29Å; L262-P282 WeakPolarHBondContact O-CA 3.35Å; L262-D283 PolarHBondContact O-N 2.84Å; L262-D283 VanDerWaalsContact O-N 3.11Å; L262-R287 VanDerWaalsContact CD2-NH2 3.28Å
263	S	92.3	Very high	89.6	Confident	22 Å²	22	49.6 Å²	49.6	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126	166.7	-150.5	0	0	0	0	108.2	N254	N254-S263 PolarHBondContact N-O 3.1Å; N254-S263 PolarHBondContact O-N 2.81Å
264	V	93.7	Very high	89.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.8	176.1	-176.3	0	0	0	0	108.1	I251 E253 L262 V266 C280 F281 D283 L290	I251-V264 HydrophobicContact CG2-CG1 3.99Å; E253-V264 HydrophobicContact CB-CG2 4.29Å; L262-V264 HydrophobicContact CD2-CG2 3.88Å; L262-V264 HydrophobicContact CG-CG2 4.24Å; V264-V266 HydrophobicContact CG1-CG1 4.26Å; V264-C280 WeakPolarHBondContact O-CA 3.19Å; V264-F281 HydrophobicContact CB-CD2 4.4Å; V264-F281 HydrophobicContact CB-CE1 4.23Å; V264-F281 HydrophobicContact CB-CE2 3.84Å; V264-F281 HydrophobicContact CB-CZ 3.73Å; V264-F281 HydrophobicContact CG1-CE1 4.23Å; V264-F281 HydrophobicContact CG1-CE2 4.28Å; V264-F281 HydrophobicContact CG1-CZ 3.73Å; V264-F281 HydrophobicContact CG2-CE2 4.36Å; V264-F281 PolarHBondContact N-O 3.36Å; V264-F281 PolarHBondContact O-N 2.92Å; V264-D283 HydrophobicContact CG2-CB 3.85Å; V264-L290 HydrophobicContact CG1-CD1 4.32Å
265	G	94.2	Very high	89.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.1	167.1	0	0	0	0	0	109.7	S252 D279 C377	S252-G265 PolarHBondContact N-O 3.41Å; S252-G265 PolarHBondContact O-N 3.28Å; S252-G265 VanDerWaalsContact O-O 3.12Å; G265-D279 WeakPolarHBondContact CA-O 3.44Å; G265-C377 VanDerWaalsContact C-SG 3.57Å; G265-C377 PolarHBondContact O-SG 3.06Å
266	V	95.2	Very high	89.6	Confident	1 Å²	1	38 Å²	38	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.8	171	-66.8	0	0	0	0	111.1	L249 C250 I251 V264 L278 D279 F281 L290 L403	L249-V266 HydrophobicContact CD1-CB 3.82Å; L249-V266 HydrophobicContact CD1-CG1 4.09Å; C250-V266 WeakPolarHBondContact O-CA 3.27Å; I251-V266 HydrophobicContact CG1-CG1 4.22Å; I251-V266 HydrophobicContact CG2-CG1 4.22Å; V264-V266 HydrophobicContact CG1-CG1 4.26Å; V266-L278 WeakPolarHBondContact O-CA 3.33Å; V266-D279 HydrophobicContact CG2-CB 3.59Å; V266-D279 PolarHBondContact N-O 3.08Å; V266-D279 PolarHBondContact O-N 3.23Å; V266-F281 HydrophobicContact CG1-CE1 4.31Å; V266-F281 HydrophobicContact CG2-CE1 4.04Å; V266-L290 HydrophobicContact CG1-CD1 4.02Å; V266-L403 HydrophobicContact CG2-CD1 4.47Å
267	V	95.8	Very high	90	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	115.6	168.5	-178.4	0	0	0	0	108.2	C250 V269 F277 L278 V374 C377 L381	C250-V267 WeakPolarHBondContact CB-O 3.09Å; C250-V267 PolarHBondContact N-O 3.31Å; C250-V267 PolarHBondContact O-N 3.12Å; V267-V269 HydrophobicContact CG1-CG2 4.47Å; V267-F277 CarbonylContact C-O 3.33Å; V267-F277 VanDerWaalsContact CA-O 3.31Å; V267-F277 WeakPolarHBondContact CA-O 3.16Å; V267-L278 HydrophobicContact CG2-CB 4.18Å; V267-V374 HydrophobicContact CG2-CG1 3.83Å; V267-C377 HydrophobicContact CB-CB 4.02Å; V267-C377 HydrophobicContact CG2-CB 3.62Å; V267-L381 HydrophobicContact CB-CD2 3.95Å; V267-L381 HydrophobicContact CG1-CD2 3.5Å; V267-L381 VanDerWaalsContact CG1-CD2 3.5Å
268	A	94.9	Very high	90.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.5	174.5	0	0	0	0	0	111.1	F247 L248 L249 F277 I297	F247-A268 HydrophobicContact CD1-CB 4.31Å; L248-A268 CarbonylContact O-C 3.53Å; L248-A268 VanDerWaalsContact O-CA 3.25Å; L248-A268 WeakPolarHBondContact O-CA 3.37Å; L249-A268 HydrophobicContact CD1-CB 4.04Å; A268-F277 HydrophobicContact CB-CB 4.27Å; A268-F277 PolarHBondContact N-O 3.07Å; A268-F277 PolarHBondContact O-N 2.98Å; A268-I297 HydrophobicContact CB-CD1 4.04Å; A268-I297 HydrophobicContact CB-CG2 3.96Å
269	V	94.3	Very high	90.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.8	176.6	175.9	0	0	0	0	108.2	L248 V267 P271 D275 V276 L381 L385 V393 L394	L248-V269 PolarHBondContact N-O 2.96Å; L248-V269 PolarHBondContact O-N 2.93Å; V267-V269 HydrophobicContact CG1-CG2 4.47Å; V269-P271 HydrophobicContact CG1-CG 4.24Å; V269-P271 WeakPolarHBondContact O-CD 3.44Å; V269-D275 WeakPolarHBondContact CA-O 3.47Å; V269-V276 HydrophobicContact CG2-CG1 4.13Å; V269-V276 HydrophobicContact CG2-CG2 4.32Å; V269-L381 HydrophobicContact CG2-CD2 3.77Å; V269-L385 HydrophobicContact CG1-CD1 4.25Å; V269-V393 HydrophobicContact CG1-CG1 4.24Å; V269-L394 HydrophobicContact CG2-CD2 3.93Å
270	Q	92.9	Very high	91.5	Very high	5 Å²	5	17 Å²	17	2%	0.023	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	94.3	167	-173	174.7	23.4	0	0	107.9	D245 F247 S272 T273 G274 D275	D245-Q270 PolarHBondContact OD1-NE2 2.9Å; F247-Q270 HydrophobicContact CD1-CB 3.7Å; F247-Q270 HydrophobicContact CE1-CB 3.55Å; F247-Q270 HydrophobicContact CE1-CG 4.45Å; F247-Q270 HydrophobicContact CG-CB 4.24Å; F247-Q270 HydrophobicContact CZ-CB 3.99Å; F247-Q270 HydrophobicContact CZ-CG 4.47Å; F247-Q270 VanDerWaalsContact CZ-OE1 3.28Å; Q270-S272 PolarHBondContact O-N 3.27Å; Q270-T273 VanDerWaalsContact CB-OG1 3.32Å; Q270-T273 WeakPolarHBondContact CB-OG1 3.3Å; Q270-T273 HydrophobicContact CG-CG2 4.12Å; Q270-T273 WeakPolarHBondContact CG-OG1 3.27Å; Q270-T273 PolarHBondContact O-N 2.97Å; Q270-T273 VanDerWaalsContact O-N 3.08Å; Q270-T273 PolarHBondContact OE1-OG1 3.33Å; Q270-G274 PolarHBondContact O-N 2.89Å; Q270-D275 PolarHBondContact N-O 2.98Å
271	P	91.6	Very high	91.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.5	-173.9	-24.9	34.1	0	0	0	114	S215 V269 L385 L390 H505	S215-P271 WeakPolarHBondContact O-CD 3.37Å; V269-P271 HydrophobicContact CG1-CG 4.24Å; V269-P271 WeakPolarHBondContact O-CD 3.44Å; P271-L385 HydrophobicContact CG-CD2 4.06Å; P271-L390 HydrophobicContact CB-CD1 3.97Å; P271-H505 PolarHBondContact O-NE2 2.95Å
272	S	89.3	Confident	91.9	Very high	9 Å²	9	10 Å²	10	6%	0.063	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-28.3	178.3	64.3	0	0	0	0	114.4	S246 Q270 R498 C501	S246-S272 PolarHBondContact OG-OG 3.45Å; Q270-S272 PolarHBondContact O-N 3.27Å; S272-R498 VanDerWaalsContact O-CA 3.31Å; S272-R498 WeakPolarHBondContact O-CA 3.37Å; S272-R498 WeakPolarHBondContact O-CG 3.38Å; S272-R498 PolarHBondContact OG-NE 3.21Å; S272-C501 WeakPolarHBondContact O-CB 3.08Å
273	T	89.3	Confident	91.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-9.6	177.8	60.1	0	0	0	0	113.2	Q270 D275 E497 R498 C501 K697	Q270-T273 VanDerWaalsContact CB-OG1 3.32Å; Q270-T273 WeakPolarHBondContact CB-OG1 3.3Å; Q270-T273 HydrophobicContact CG-CG2 4.12Å; Q270-T273 WeakPolarHBondContact CG-OG1 3.27Å; Q270-T273 PolarHBondContact O-N 2.97Å; Q270-T273 VanDerWaalsContact O-N 3.08Å; Q270-T273 PolarHBondContact OE1-OG1 3.33Å; T273-D275 VanDerWaalsContact C-N 3.27Å; T273-D275 PolarHBondContact O-N 3.27Å; T273-E497 HydrophobicContact CG2-CG 4.21Å; T273-R498 HydrophobicContact CG2-CG 4.16Å; T273-C501 PolarHBondContact O-SG 3.42Å; T273-K697 PolarHBondContact O-NZ 3.42Å
274	G	88.6	Confident	91.5	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	30.4	-178.7	0	0	0	0	0	113.5	Q270 K697	Q270-G274 PolarHBondContact O-N 2.89Å; G274-K697 PolarHBondContact O-NZ 2.56Å
275	D	89.3	Confident	91	Very high	17 Å²	17	14.8 Å²	14.8	9%	0.091	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138	170	-111.2	35.8	0	0	0	110.3	V269 Q270 T273 F277 R401 K697	V269-D275 WeakPolarHBondContact CA-O 3.47Å; Q270-D275 PolarHBondContact N-O 2.98Å; T273-D275 VanDerWaalsContact C-N 3.27Å; T273-D275 PolarHBondContact O-N 3.27Å; D275-F277 HydrophobicContact CB-CE2 4.23Å; D275-F277 VanDerWaalsContact OD2-CZ 3.31Å; D275-F277 WeakPolarHBondContact OD2-CZ 3.37Å; D275-R401 IonicContact OD1-CZ 2.69Å; D275-R401 IonicContact OD1-NH1 2.63Å; D275-R401 PolarHBondContact OD1-NH1 2.65Å; D275-R401 IonicContact OD2-CZ 3.41Å; D275-R401 IonicContact OD2-NH1 3.46Å; D275-R401 PolarHBondContact OD2-NH1 2.94Å; D275-K697 WeakPolarHBondContact OD1-CE 3.42Å; D275-K697 IonicContact OD1-NZ 2.69Å; D275-K697 PolarHBondContact OD1-NZ 3.21Å
276	V	91.8	Very high	90.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.3	-178.6	-173.9	0	0	0	0	109.4	V269 V393 L394 F400 R401	V269-V276 HydrophobicContact CG2-CG1 4.13Å; V269-V276 HydrophobicContact CG2-CG2 4.32Å; V276-V393 HydrophobicContact CG2-CG1 3.48Å; V276-V393 VanDerWaalsContact CG2-CG1 3.48Å; V276-L394 HydrophobicContact CG1-CD2 4.02Å; V276-L394 HydrophobicContact CG2-CD2 4.02Å; V276-F400 HydrophobicContact CB-CD1 4.39Å; V276-F400 HydrophobicContact CB-CG 4.27Å; V276-F400 HydrophobicContact CG1-CD1 3.47Å; V276-F400 VanDerWaalsContact CG1-CD1 3.47Å; V276-F400 HydrophobicContact CG1-CD2 4.3Å; V276-F400 HydrophobicContact CG1-CE1 3.67Å; V276-F400 HydrophobicContact CG1-CE2 4.46Å; V276-F400 HydrophobicContact CG1-CG 3.83Å; V276-F400 HydrophobicContact CG1-CZ 4.18Å; V276-F400 CarbonylContact O-C 3.52Å; V276-F400 WeakPolarHBondContact O-CA 3.26Å; V276-R401 PolarHBondContact O-N 3.48Å
277	F	90.9	Very high	89.9	Confident	17 Å²	17	16.5 Å²	16.5	8%	0.075	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.2	179	-67.2	-64.6	0	0	0	110.3	F247 V267 A268 D275 R401 L403	F247-F277 AromaticContact CE1-CD2 3.67Å; F247-F277 HydrophobicContact CE1-CD2 3.67Å; F247-F277 AromaticContact CE1-CE2 3.61Å; F247-F277 HydrophobicContact CE1-CE2 3.61Å; F247-F277 HydrophobicContact CZ-CD2 4.26Å; F247-F277 AromaticContact CZ-CE2 3.77Å; F247-F277 HydrophobicContact CZ-CE2 3.77Å; V267-F277 CarbonylContact C-O 3.33Å; V267-F277 VanDerWaalsContact CA-O 3.31Å; V267-F277 WeakPolarHBondContact CA-O 3.16Å; A268-F277 HydrophobicContact CB-CB 4.27Å; A268-F277 PolarHBondContact N-O 3.07Å; A268-F277 PolarHBondContact O-N 2.98Å; D275-F277 HydrophobicContact CB-CE2 4.23Å; D275-F277 VanDerWaalsContact OD2-CZ 3.31Å; D275-F277 WeakPolarHBondContact OD2-CZ 3.37Å; F277-R401 VanDerWaalsContact CA-O 3.3Å; F277-R401 WeakPolarHBondContact CA-O 3.37Å; F277-R401 HydrophobicContact CD1-CB 3.74Å; F277-R401 HydrophobicContact CE1-CB 3.86Å; F277-R401 HydrophobicContact CE1-CG 4.49Å; F277-L403 HydrophobicContact CB-CD1 4.05Å; F277-L403 HydrophobicContact CB-CD2 3.85Å; F277-L403 HydrophobicContact CB-CG 3.86Å; F277-L403 HydrophobicContact CD1-CD2 3.72Å; F277-L403 HydrophobicContact CD1-CG 4.31Å; F277-L403 HydrophobicContact CE1-CD2 4.45Å; F277-L403 HydrophobicContact CG-CD2 3.78Å; F277-L403 HydrophobicContact CG-CG 4.31Å
278	L	91.9	Very high	89.4	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.5	172.2	45.9	59.6	0	0	0	111.7	V266 V267 F370 V374 F400 R401 H402 L403	V266-L278 WeakPolarHBondContact O-CA 3.33Å; V267-L278 HydrophobicContact CG2-CB 4.18Å; L278-F370 HydrophobicContact CD2-CD1 4.48Å; L278-F370 HydrophobicContact CD2-CD2 3.83Å; L278-F370 HydrophobicContact CD2-CE1 4.24Å; L278-F370 HydrophobicContact CD2-CE2 3.53Å; L278-F370 HydrophobicContact CD2-CG 4.3Å; L278-F370 HydrophobicContact CD2-CZ 3.76Å; L278-V374 HydrophobicContact CB-CG1 3.98Å; L278-V374 HydrophobicContact CD2-CG1 3.91Å; L278-F400 HydrophobicContact CD2-CB 4.49Å; L278-F400 HydrophobicContact CD2-CD1 3.77Å; L278-F400 HydrophobicContact CG-CD1 4.3Å; L278-R401 PolarHBondContact N-O 3.27Å; L278-H402 HydrophobicContact CD1-CB 4.34Å; L278-H402 WeakPolarHBondContact CD1-ND1 3.33Å; L278-H402 WeakPolarHBondContact O-CA 3.16Å; L278-L403 PolarHBondContact O-N 3.44Å
279	D	91.9	Very high	89	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.011	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	150.9	176.1	-157.9	-5	0	0	0	111.6	G265 V266 F281 R293 V374 L403 S404	G265-D279 WeakPolarHBondContact CA-O 3.44Å; V266-D279 HydrophobicContact CG2-CB 3.59Å; V266-D279 PolarHBondContact N-O 3.08Å; V266-D279 PolarHBondContact O-N 3.23Å; D279-F281 HydrophobicContact CB-CD1 4.34Å; D279-R293 WeakPolarHBondContact OD2-CD 3.38Å; D279-R293 IonicContact OD2-CZ 3.23Å; D279-R293 IonicContact OD2-NE 3.76Å; D279-R293 PolarHBondContact OD2-NE 2.96Å; D279-R293 IonicContact OD2-NH2 3.91Å; D279-V374 WeakPolarHBondContact O-CG2 3.27Å; D279-L403 HydrophobicContact CB-CB 4.12Å; D279-L403 HydrophobicContact CB-CD1 4.16Å; D279-S404 VanDerWaalsContact CG-OG 3.25Å; D279-S404 VanDerWaalsContact OD1-CB 3.25Å; D279-S404 WeakPolarHBondContact OD1-CB 3.37Å; D279-S404 PolarHBondContact OD1-OG 2.76Å; D279-S404 VanDerWaalsContact OD2-CB 3.3Å; D279-S404 WeakPolarHBondContact OD2-CB 3.13Å; D279-S404 PolarHBondContact OD2-OG 3Å
280	C	92.1	Very high	88.8	Confident	30 Å²	30	19.7 Å²	19.7	20%	0.203	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	121.4	173.3	-169.6	0	0	0	0	108.4	V264 D371 V374	V264-C280 WeakPolarHBondContact O-CA 3.19Å; C280-D371 HydrophobicContact CB-CB 3.77Å; C280-D371 WeakPolarHBondContact CB-OD2 3.34Å; C280-D371 VanDerWaalsContact SG-CB 3.53Å; C280-V374 HydrophobicContact CB-CG2 3.88Å
281	F	90.4	Very high	88.6	Confident	8 Å²	8	20.1 Å²	20.1	4%	0.035	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.9	-174.1	56.2	-82.8	0	0	0	112	V264 V266 D279 D283 E289 L290	V264-F281 HydrophobicContact CB-CD2 4.4Å; V264-F281 HydrophobicContact CB-CE1 4.23Å; V264-F281 HydrophobicContact CB-CE2 3.84Å; V264-F281 HydrophobicContact CB-CZ 3.73Å; V264-F281 HydrophobicContact CG1-CE1 4.23Å; V264-F281 HydrophobicContact CG1-CE2 4.28Å; V264-F281 HydrophobicContact CG1-CZ 3.73Å; V264-F281 HydrophobicContact CG2-CE2 4.36Å; V264-F281 PolarHBondContact N-O 3.36Å; V264-F281 PolarHBondContact O-N 2.92Å; V266-F281 HydrophobicContact CG1-CE1 4.31Å; V266-F281 HydrophobicContact CG2-CE1 4.04Å; D279-F281 HydrophobicContact CB-CD1 4.34Å; F281-D283 HydrophobicContact CD2-CB 4.14Å; F281-D283 HydrophobicContact CE2-CB 3.98Å; F281-E289 HydrophobicContact CD2-CB 3.53Å; F281-E289 HydrophobicContact CD2-CG 4.43Å; F281-E289 HydrophobicContact CE2-CB 3.62Å; F281-L290 HydrophobicContact CE2-CB 4.08Å; F281-L290 HydrophobicContact CZ-CB 4Å; F281-L290 HydrophobicContact CZ-CD1 4.19Å
282	P	90.1	Very high	88.4	Confident	77 Å²	77	20.2 Å²	20.2	50%	0.5	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.9	165.8	31.1	-32.9	0	0	0	110	L262	L262-P282 VanDerWaalsContact O-CA 3.29Å; L262-P282 WeakPolarHBondContact O-CA 3.35Å
283	D	89.7	Confident	88.4	Confident	14 Å²	14	20.8 Å²	20.8	8%	0.075	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149	177.9	-156.9	-7.8	0	0	0	112.6	L262 V264 F281 R287 S288 L290	L262-D283 PolarHBondContact O-N 2.84Å; L262-D283 VanDerWaalsContact O-N 3.11Å; V264-D283 HydrophobicContact CG2-CB 3.85Å; F281-D283 HydrophobicContact CD2-CB 4.14Å; F281-D283 HydrophobicContact CE2-CB 3.98Å; D283-R287 WeakPolarHBondContact OD1-CA 3.4Å; D283-R287 WeakPolarHBondContact OD2-CA 3.24Å; D283-R287 WeakPolarHBondContact OD2-CD 3.29Å; D283-S288 PolarHBondContact OD1-N 2.84Å; D283-L290 WeakPolarHBondContact OD2-CB 3.42Å; D283-L290 PolarHBondContact OD2-N 3.44Å; D283-L290 VanDerWaalsContact OD2-N 3.08Å
284	G	84.6	Confident	88.4	Confident	26 Å²	26	20.9 Å²	20.9	27%	0.268	13%	0.128	S	C	.	.			trans	-90.2	-179	-174	0	0	0	0	0	114.6	S286 R287	G284-S286 PolarHBondContact O-N 2.72Å; G284-R287 PolarHBondContact O-N 3.36Å; G284-R287 PolarHBondContact O-NH1 2.9Å
285	P	82.6	Confident	88.2	Confident	99 Å²	99	23.1 Å²	23.1	64%	0.643	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.6	173.5	-19.7	33.6	0	0	0	114.4	R825	P285-R825 PolarHBondContact O-NH1 2.9Å; P285-R825 PolarHBondContact O-NH2 2.94Å
286	S	78.9	Confident	88	Confident	22 Å²	22	25.1 Å²	25.1	15%	0.154	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-29.3	173.2	44.7	0	0	0	0	113.5	G284 S288 E837	G284-S286 PolarHBondContact O-N 2.72Å; S286-S288 VanDerWaalsContact C-N 3.29Å; S286-S288 PolarHBondContact OG-OG 3.11Å; S286-E837 WeakPolarHBondContact CB-OE1 3.36Å; S286-E837 PolarHBondContact OG-OE1 2.96Å
287	R	88	Confident	87.8	Confident	16 Å²	16	25.6 Å²	25.6	6%	0.06	15%	0.148	C	C	.	.			trans	60.5	29.6	-168.1	-61.3	-64.5	-166.2	-85.1	-8.8	114.6	E253 L262 D283 G284 E289 L290 E291 S309 Q311 T312 L315	E253-R287 IonicContact OE2-NE 3.67Å; E253-R287 IonicContact OE2-NH2 2.75Å; E253-R287 PolarHBondContact OE2-NH2 2.98Å; L262-R287 VanDerWaalsContact CD2-NH2 3.28Å; D283-R287 WeakPolarHBondContact OD1-CA 3.4Å; D283-R287 WeakPolarHBondContact OD2-CA 3.24Å; D283-R287 WeakPolarHBondContact OD2-CD 3.29Å; G284-R287 PolarHBondContact O-N 3.36Å; G284-R287 PolarHBondContact O-NH1 2.9Å; R287-E289 PolarHBondContact O-N 3.49Å; R287-L290 PolarHBondContact O-N 3.22Å; R287-E291 VanDerWaalsContact O-CB 3.23Å; R287-E291 WeakPolarHBondContact O-CB 3.27Å; R287-E291 PolarHBondContact O-N 3.09Å; R287-S309 PolarHBondContact NH2-OG 2.62Å; R287-Q311 HydrophobicContact CG-CB 4.31Å; R287-T312 PolarHBondContact NE-OG1 3.25Å; R287-T312 PolarHBondContact NH2-OG1 3.39Å; R287-L315 HydrophobicContact CB-CD2 3.73Å
288	S	83.6	Confident	87.6	Confident	24 Å²	24	28.2 Å²	28.2	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-30.1	-174.1	55.7	0	0	0	0	113.7	D283 S286 G292 E837	D283-S288 PolarHBondContact OD1-N 2.84Å; S286-S288 VanDerWaalsContact C-N 3.29Å; S286-S288 PolarHBondContact OG-OG 3.11Å; S288-G292 PolarHBondContact O-N 2.89Å; S288-E837 WeakPolarHBondContact CB-OE2 3.19Å; S288-E837 PolarHBondContact OG-OE1 2.79Å; S288-E837 PolarHBondContact OG-OE2 2.86Å
289	E	87.5	Confident	87.6	Confident	44 Å²	44	28.3 Å²	28.3	21%	0.206	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-44.2	174	-72.1	-67.1	131.9	0	0	110.8	F281 R287 G292 R293 Q841	F281-E289 HydrophobicContact CD2-CB 3.53Å; F281-E289 HydrophobicContact CD2-CG 4.43Å; F281-E289 HydrophobicContact CE2-CB 3.62Å; R287-E289 PolarHBondContact O-N 3.49Å; E289-G292 PolarHBondContact O-N 2.8Å; E289-R293 VanDerWaalsContact C-NH1 3.34Å; E289-R293 WeakPolarHBondContact O-CD 3.28Å; E289-R293 PolarHBondContact O-N 2.98Å; E289-R293 VanDerWaalsContact O-N 3.16Å; E289-R293 PolarHBondContact O-NH1 2.91Å; E289-R293 IonicContact OE2-CZ 3.91Å; E289-R293 IonicContact OE2-NH1 2.75Å; E289-R293 PolarHBondContact OE2-NH1 2.84Å; E289-R293 IonicContact OE2-NH2 3.64Å; E289-R293 PolarHBondContact OE2-NH2 3.43Å; E289-Q841 PolarHBondContact OE1-NE2 2.99Å
290	L	91	Very high	87.5	Confident	1 Å²	1	29 Å²	29	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-45.3	173.4	177.1	59.2	0	0	0	111.8	I251 V264 V266 F281 D283 R287 G292 R293 I294 T312 L315	I251-L290 HydrophobicContact CD1-CD1 4.23Å; I251-L290 HydrophobicContact CG2-CD1 4.4Å; I251-L290 HydrophobicContact CG2-CD2 4.47Å; V264-L290 HydrophobicContact CG1-CD1 4.32Å; V266-L290 HydrophobicContact CG1-CD1 4.02Å; F281-L290 HydrophobicContact CE2-CB 4.08Å; F281-L290 HydrophobicContact CZ-CB 4Å; F281-L290 HydrophobicContact CZ-CD1 4.19Å; D283-L290 WeakPolarHBondContact OD2-CB 3.42Å; D283-L290 PolarHBondContact OD2-N 3.44Å; D283-L290 VanDerWaalsContact OD2-N 3.08Å; R287-L290 PolarHBondContact O-N 3.22Å; L290-G292 VanDerWaalsContact C-N 3.27Å; L290-G292 PolarHBondContact O-N 3.09Å; L290-R293 PolarHBondContact O-N 2.98Å; L290-R293 VanDerWaalsContact O-N 3.12Å; L290-I294 HydrophobicContact CD1-CD1 3.98Å; L290-I294 HydrophobicContact CD1-CG1 4.18Å; L290-I294 HydrophobicContact CG-CD1 3.86Å; L290-I294 HydrophobicContact CG-CG1 4.49Å; L290-I294 WeakPolarHBondContact O-CG1 3.34Å; L290-I294 PolarHBondContact O-N 3.16Å; L290-T312 HydrophobicContact CD2-CG2 3.9Å; L290-L315 HydrophobicContact CB-CD2 4.43Å; L290-L315 HydrophobicContact CD2-CD2 4.14Å; L290-L315 HydrophobicContact CG-CD2 4.12Å
291	E	88.8	Confident	87.6	Confident	13 Å²	13	27.6 Å²	27.6	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-56.6	-41.9	175.9	-169.4	172.7	147.1	0	0	110.9	R287 R293 I294 L295 L315 A414 R418 K823	R287-E291 VanDerWaalsContact O-CB 3.23Å; R287-E291 WeakPolarHBondContact O-CB 3.27Å; R287-E291 PolarHBondContact O-N 3.09Å; E291-R293 PolarHBondContact O-N 2.91Å; E291-I294 PolarHBondContact O-N 2.89Å; E291-L295 VanDerWaalsContact O-CG 3.32Å; E291-L295 WeakPolarHBondContact O-CG 3.28Å; E291-L295 PolarHBondContact O-N 2.59Å; E291-L315 HydrophobicContact CB-CD1 4.06Å; E291-L315 HydrophobicContact CB-CD2 4.02Å; E291-L315 HydrophobicContact CG-CD1 3.86Å; E291-L315 VanDerWaalsContact OE2-CD1 3.29Å; E291-L315 WeakPolarHBondContact OE2-CD1 3.45Å; E291-A414 HydrophobicContact CB-CB 4.25Å; E291-A414 HydrophobicContact CG-CB 4.12Å; E291-R418 IonicContact OE1-CZ 2.72Å; E291-R418 IonicContact OE1-NH1 2.66Å; E291-R418 PolarHBondContact OE1-NH1 3.03Å; E291-R418 IonicContact OE1-NH2 3.84Å; E291-R418 PolarHBondContact OE1-NH2 3.3Å; E291-K823 IonicContact OE2-NZ 2.71Å; E291-K823 PolarHBondContact OE2-NZ 3.13Å
292	G	85.5	Confident	87.8	Confident	3 Å²	3	27.2 Å²	27.2	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-35.4	176.7	0	0	0	0	0	113.8	S288 E289 L290 R296	S288-G292 PolarHBondContact O-N 2.89Å; E289-G292 PolarHBondContact O-N 2.8Å; L290-G292 VanDerWaalsContact C-N 3.27Å; L290-G292 PolarHBondContact O-N 3.09Å; G292-R296 WeakPolarHBondContact O-CG 3.32Å; G292-R296 PolarHBondContact O-N 3.26Å
293	R	89.2	Confident	88.1	Confident	20 Å²	20	23.6 Å²	23.6	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-75.5	-40	177	-73.7	155.4	-176.1	77.2	-10.8	111.9	D279 E289 L290 E291 L295 R296 I297	D279-R293 WeakPolarHBondContact OD2-CD 3.38Å; D279-R293 IonicContact OD2-CZ 3.23Å; D279-R293 IonicContact OD2-NE 3.76Å; D279-R293 PolarHBondContact OD2-NE 2.96Å; D279-R293 IonicContact OD2-NH2 3.91Å; E289-R293 VanDerWaalsContact C-NH1 3.34Å; E289-R293 WeakPolarHBondContact O-CD 3.28Å; E289-R293 PolarHBondContact O-N 2.98Å; E289-R293 VanDerWaalsContact O-N 3.16Å; E289-R293 PolarHBondContact O-NH1 2.91Å; E289-R293 IonicContact OE2-CZ 3.91Å; E289-R293 IonicContact OE2-NH1 2.75Å; E289-R293 PolarHBondContact OE2-NH1 2.84Å; E289-R293 IonicContact OE2-NH2 3.64Å; E289-R293 PolarHBondContact OE2-NH2 3.43Å; L290-R293 PolarHBondContact O-N 2.98Å; L290-R293 VanDerWaalsContact O-N 3.12Å; E291-R293 PolarHBondContact O-N 2.91Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 2.74Å; R293-R296 PolarHBondContact O-N 3.42Å; R293-I297 WeakPolarHBondContact O-CB 3.49Å; R293-I297 WeakPolarHBondContact O-CD1 3.31Å; R293-I297 VanDerWaalsContact O-CG1 3.22Å; R293-I297 WeakPolarHBondContact O-CG1 3.23Å; R293-I297 PolarHBondContact O-N 2.92Å
294	I	89.8	Confident	88.4	Confident	4 Å²	4	23 Å²	23	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-43.1	173	-66.3	165.2	0	0	0	110.4	L249 L290 E291 I297 N298 P299 L315 L316 I319	L249-I294 HydrophobicContact CD2-CG1 3.74Å; L290-I294 HydrophobicContact CD1-CD1 3.98Å; L290-I294 HydrophobicContact CD1-CG1 4.18Å; L290-I294 HydrophobicContact CG-CD1 3.86Å; L290-I294 HydrophobicContact CG-CG1 4.49Å; L290-I294 WeakPolarHBondContact O-CG1 3.34Å; L290-I294 PolarHBondContact O-N 3.16Å; E291-I294 PolarHBondContact O-N 2.89Å; I294-I297 PolarHBondContact O-N 3.08Å; I294-N298 WeakPolarHBondContact O-CA 3.5Å; I294-N298 PolarHBondContact O-N 2.88Å; I294-P299 HydrophobicContact CG2-CG 4.09Å; I294-P299 VanDerWaalsContact O-CD 3.26Å; I294-P299 WeakPolarHBondContact O-CD 3.31Å; I294-L315 HydrophobicContact CD1-CD2 4.32Å; I294-L316 HydrophobicContact CD1-CD2 3.99Å; I294-I319 HydrophobicContact CB-CD1 4.24Å; I294-I319 HydrophobicContact CD1-CD1 3.92Å; I294-I319 HydrophobicContact CG2-CD1 3.76Å; I294-I319 HydrophobicContact CG2-CG2 4.31Å
295	L	85.1	Confident	88.9	Confident	46 Å²	46	22 Å²	22	24%	0.241	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-34.1	176.9	-71.1	168.8	0	0	0	114.2	E291 R293 A414 R418	E291-L295 VanDerWaalsContact O-CG 3.32Å; E291-L295 WeakPolarHBondContact O-CG 3.28Å; E291-L295 PolarHBondContact O-N 2.59Å; R293-L295 VanDerWaalsContact C-N 3.3Å; R293-L295 PolarHBondContact O-N 2.74Å; L295-A414 HydrophobicContact CD1-CB 3.83Å; L295-R418 HydrophobicContact CD1-CG 4.29Å
296	R	85.3	Confident	89.3	Confident	60 Å²	60	20.9 Å²	20.9	23%	0.226	11%	0.113	C	C	.	.	H	α-helix	trans	-73.1	-39.1	176.5	-71.6	176.8	-167	-179.6	6.8	112.5	G292 R293 L412 L417	G292-R296 WeakPolarHBondContact O-CG 3.32Å; G292-R296 PolarHBondContact O-N 3.26Å; R293-R296 PolarHBondContact O-N 3.42Å; R296-L412 PolarHBondContact NH2-O 3.1Å; R296-L417 HydrophobicContact CG-CD1 3.72Å
297	I	87.7	Confident	89.9	Confident	10 Å²	10	25.4 Å²	25.4	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-79.5	-35.4	-178.5	-62	163.2	0	0	0	111.2	F247 L249 A268 R293 I294 P299 L403	F247-I297 HydrophobicContact CB-CG2 3.63Å; F247-I297 HydrophobicContact CD1-CG2 4.01Å; F247-I297 HydrophobicContact CD2-CG2 4.08Å; F247-I297 WeakPolarHBondContact CD2-O 3.38Å; F247-I297 HydrophobicContact CG-CG2 3.64Å; L249-I297 HydrophobicContact CD1-CD1 4.12Å; A268-I297 HydrophobicContact CB-CD1 4.04Å; A268-I297 HydrophobicContact CB-CG2 3.96Å; R293-I297 WeakPolarHBondContact O-CB 3.49Å; R293-I297 WeakPolarHBondContact O-CD1 3.31Å; R293-I297 VanDerWaalsContact O-CG1 3.22Å; R293-I297 WeakPolarHBondContact O-CG1 3.23Å; R293-I297 PolarHBondContact O-N 2.92Å; I294-I297 PolarHBondContact O-N 3.08Å; I297-P299 HydrophobicContact CG2-CB 4.3Å; I297-L403 HydrophobicContact CD1-CD1 3.78Å; I297-L403 HydrophobicContact CG1-CD1 4.32Å
298	N	86.7	Confident	89.9	Confident	72 Å²	72	25.7 Å²	25.7	39%	0.385	14%	0.138	S	C	.	.			trans	49.6	59.5	-172.1	-164	78.7	0	0	0	113.6	I294	I294-N298 WeakPolarHBondContact O-CA 3.5Å; I294-N298 PolarHBondContact O-N 2.88Å
299	P	91.4	Very high	90.3	Very high	3 Å²	3	26 Å²	26	2%	0.019	14%	0.141	C	C	.	.			trans	-71.2	134.3	-174.6	31.6	-35.9	0	0	0	112.8	F247 L249 I294 I297 V302 I330	F247-P299 HydrophobicContact CB-CB 4.27Å; F247-P299 WeakPolarHBondContact O-CA 3.2Å; L249-P299 HydrophobicContact CB-CB 3.74Å; L249-P299 HydrophobicContact CB-CG 4.08Å; L249-P299 HydrophobicContact CD2-CB 4.5Å; L249-P299 HydrophobicContact CD2-CG 3.91Å; I294-P299 HydrophobicContact CG2-CG 4.09Å; I294-P299 VanDerWaalsContact O-CD 3.26Å; I294-P299 WeakPolarHBondContact O-CD 3.31Å; I297-P299 HydrophobicContact CG2-CB 4.3Å; P299-V302 HydrophobicContact CB-CG2 4.26Å; P299-V302 HydrophobicContact CG-CG2 4.05Å; P299-I330 WeakPolarHBondContact O-CD1 3.42Å; P299-I330 WeakPolarHBondContact O-CG1 3.38Å
300	V	90.6	Very high	90.3	Very high	17 Å²	17	29 Å²	29	10%	0.103	16%	0.158	C	C	.	.	S	Bend	trans	-84.2	-16.6	173.3	-60.2	0	0	0	0	112.4	K214 F247 R331	K214-V300 HydrophobicContact CB-CB 3.94Å; K214-V300 HydrophobicContact CB-CG2 3.71Å; K214-V300 HydrophobicContact CD-CB 4.46Å; F247-V300 PolarHBondContact O-N 3.41Å; F247-V300 VanDerWaalsContact O-N 3.08Å; V300-R331 PolarHBondContact O-N 2.88Å
301	E	93.1	Very high	90.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.3	-179.5	-168	163	-157.6	0	0	110.7	T213 S215 F247 L248 L249 R331 Y384	T213-E301 WeakPolarHBondContact CB-OE1 3.49Å; T213-E301 WeakPolarHBondContact CB-OE2 3.38Å; T213-E301 WeakPolarHBondContact CG2-OE1 3.41Å; T213-E301 PolarHBondContact OG1-OE1 3Å; T213-E301 PolarHBondContact OG1-OE2 3.19Å; S215-E301 WeakPolarHBondContact CB-OE2 3.36Å; S215-E301 PolarHBondContact N-OE2 3Å; S215-E301 VanDerWaalsContact N-OE2 3.15Å; S215-E301 PolarHBondContact OG-OE2 3.15Å; F247-E301 PolarHBondContact O-N 3.32Å; L248-E301 CarbonylContact C-O 3.48Å; L248-E301 WeakPolarHBondContact CA-O 3.31Å; L248-E301 HydrophobicContact CD1-CB 3.95Å; L248-E301 HydrophobicContact CD1-CG 3.72Å; L249-E301 PolarHBondContact N-O 3.34Å; E301-R331 CarbonylContact C-O 3.46Å; E301-R331 VanDerWaalsContact CA-O 3.28Å; E301-R331 WeakPolarHBondContact CA-O 3.46Å; E301-R331 HydrophobicContact CB-CB 4.46Å; E301-R331 HydrophobicContact CG-CB 4.1Å; E301-R331 HydrophobicContact CG-CG 4.13Å; E301-R331 WeakPolarHBondContact OE1-CD 3.24Å; E301-R331 IonicContact OE1-NE 2.73Å; E301-R331 PolarHBondContact OE1-NE 2.73Å; E301-Y384 PolarHBondContact OE1-OH 3.2Å; E301-Y384 VanDerWaalsContact OE1-OH 3.07Å
302	V	94.8	Very high	90.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.1	-177.5	-172.1	0	0	0	0	109.6	L249 I251 P299 V304 L316 I330 R331 V332 E333	L249-V302 HydrophobicContact CB-CG2 4.41Å; L249-V302 HydrophobicContact CG-CG1 4.47Å; L249-V302 CarbonylContact O-C 3.56Å; L249-V302 VanDerWaalsContact O-CA 3.23Å; L249-V302 WeakPolarHBondContact O-CA 3.5Å; L249-V302 WeakPolarHBondContact O-CG1 3.45Å; I251-V302 HydrophobicContact CD1-CG1 3.54Å; I251-V302 HydrophobicContact CG1-CG1 3.98Å; P299-V302 HydrophobicContact CB-CG2 4.26Å; P299-V302 HydrophobicContact CG-CG2 4.05Å; V302-V304 HydrophobicContact CG1-CG1 3.87Å; V302-L316 HydrophobicContact CG1-CD2 4.25Å; V302-I330 HydrophobicContact CG2-CG2 3.63Å; V302-R331 PolarHBondContact N-O 3.05Å; V302-V332 CarbonylContact O-C 3.59Å; V302-V332 WeakPolarHBondContact O-CA 3.5Å; V302-E333 PolarHBondContact O-N 3.18Å
303	L	95.8	Very high	90.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.1	179.7	178.5	65.3	0	0	0	109.6	L248 L249 C250 I251 E333 R335 F340 L381 Y384	L248-L303 HydrophobicContact CD1-CB 4.28Å; L249-L303 PolarHBondContact O-N 3.38Å; C250-L303 WeakPolarHBondContact CA-O 3.49Å; C250-L303 HydrophobicContact CB-CB 4.36Å; C250-L303 HydrophobicContact CB-CD2 4.41Å; I251-L303 PolarHBondContact N-O 3.19Å; L303-E333 HydrophobicContact CD1-CB 3.99Å; L303-E333 HydrophobicContact CD1-CG 3.61Å; L303-R335 HydrophobicContact CD1-CG 3.76Å; L303-F340 HydrophobicContact CG-CZ 4.43Å; L303-L381 HydrophobicContact CD2-CB 4.44Å; L303-L381 HydrophobicContact CD2-CD1 4.17Å; L303-Y384 HydrophobicContact CD1-CD2 4.39Å; L303-Y384 HydrophobicContact CD2-CG 4.22Å
304	V	95.5	Very high	90.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.5	-173.4	-61.2	0	0	0	0	113.2	I251 V302 L308 L316 V332 E333 R334 R335	I251-V304 HydrophobicContact CB-CG1 4.34Å; I251-V304 HydrophobicContact CD1-CG1 4.48Å; V302-V304 HydrophobicContact CG1-CG1 3.87Å; V304-L308 HydrophobicContact CB-CD1 3.69Å; V304-L308 HydrophobicContact CB-CG 4.25Å; V304-L308 HydrophobicContact CG1-CD1 3.81Å; V304-L308 HydrophobicContact CG2-CD1 4.02Å; V304-L316 HydrophobicContact CG1-CD1 3.91Å; V304-V332 HydrophobicContact CG2-CG1 3.85Å; V304-E333 WeakPolarHBondContact CG2-O 3.46Å; V304-E333 PolarHBondContact N-O 2.54Å; V304-R334 HydrophobicContact CG2-CG 3.89Å; V304-R334 WeakPolarHBondContact O-CA 3.38Å; V304-R335 PolarHBondContact O-N 3.09Å
305	P	95.2	Very high	90.3	Very high	7 Å²	7	38.2 Å²	38.2	5%	0.045	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	165.3	167.4	30.3	-35.8	0	0	0	111.4	I251 L308 F340	I251-P305 VanDerWaalsContact O-CD 3.29Å; I251-P305 WeakPolarHBondContact O-CD 3.4Å; P305-L308 HydrophobicContact CG-CD2 3.88Å; P305-L308 HydrophobicContact CG-CG 4.12Å; P305-F340 HydrophobicContact CB-CB 4.42Å; P305-F340 HydrophobicContact CB-CD1 4.36Å; P305-F340 HydrophobicContact CB-CD2 3.69Å; P305-F340 HydrophobicContact CB-CE2 3.97Å; P305-F340 HydrophobicContact CB-CG 3.91Å; P305-F340 HydrophobicContact CB-CZ 4.42Å; P305-F340 HydrophobicContact CG-CD1 4.39Å; P305-F340 HydrophobicContact CG-CG 4.38Å
306	S	91.3	Very high	90.4	Very high	74 Å²	74	36.7 Å²	36.7	52%	0.517	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.9	-177.9	-69.1	0	0	0	0	114.4	R335 S337	S306-R335 WeakPolarHBondContact CB-O 3.47Å; S306-R335 PolarHBondContact N-O 2.91Å; S306-R335 VanDerWaalsContact N-O 3.12Å; S306-R335 PolarHBondContact OG-O 3.23Å; S306-S337 PolarHBondContact N-OG 2.69Å
307	D	91.4	Very high	90.4	Very high	117 Å²	117	38.6 Å²	38.6	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	26.5	-173.9	66.7	-26.5	0	0	0	114.2	S337	D307-S337 PolarHBondContact N-OG 3.17Å; D307-S337 WeakPolarHBondContact OD1-CB 3.31Å; D307-S337 PolarHBondContact OD1-OG 2.66Å
308	L	89.6	Confident	90.2	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.115	22%	0.215	C	C	.	.			trans	-52.1	140.3	171.9	-78.1	-175.7	0	0	0	113	E253 V304 P305 T312 L316	E253-L308 HydrophobicContact CG-CD2 4.09Å; V304-L308 HydrophobicContact CB-CD1 3.69Å; V304-L308 HydrophobicContact CB-CG 4.25Å; V304-L308 HydrophobicContact CG1-CD1 3.81Å; V304-L308 HydrophobicContact CG2-CD1 4.02Å; P305-L308 HydrophobicContact CG-CD2 3.88Å; P305-L308 HydrophobicContact CG-CG 4.12Å; L308-T312 HydrophobicContact CD1-CG2 4.13Å; L308-T312 HydrophobicContact CD2-CG2 4.09Å; L308-L316 HydrophobicContact CD1-CD1 3.79Å
309	S	90.9	Very high	90	Very high	31 Å²	31	37.8 Å²	37.8	22%	0.217	21%	0.206	C	C	.	.			trans	-58.1	152	172.4	61.7	0	0	0	0	113.4	E253 R287 Q311 T312 S313	E253-S309 VanDerWaalsContact CD-OG 3.29Å; E253-S309 WeakPolarHBondContact OE1-CB 3.48Å; E253-S309 PolarHBondContact OE1-N 3.3Å; E253-S309 PolarHBondContact OE1-OG 3.15Å; E253-S309 PolarHBondContact OE2-OG 2.75Å; R287-S309 PolarHBondContact NH2-OG 2.62Å; S309-Q311 PolarHBondContact O-N 3.16Å; S309-T312 PolarHBondContact O-N 3.16Å; S309-T312 PolarHBondContact OG-OG1 2.91Å; S309-S313 WeakPolarHBondContact O-CB 3.4Å; S309-S313 PolarHBondContact O-N 3.33Å; S309-S313 PolarHBondContact O-OG 3.13Å
310	D	88.4	Confident	89.6	Confident	106 Å²	106	38.1 Å²	38.1	57%	0.567	21%	0.209	S	C	*	.	H	α-helix	trans	-52.3	-37.7	177.8	-82.4	-5.7	0	0	0	113.2	K314	D310-K314 VanDerWaalsContact O-CB 3.24Å; D310-K314 WeakPolarHBondContact O-CB 3.27Å; D310-K314 WeakPolarHBondContact O-CD 3.38Å; D310-K314 WeakPolarHBondContact O-CG 3.31Å; D310-K314 PolarHBondContact O-N 3.09Å
311	Q	87.7	Confident	89	Confident	88 Å²	88	41.8 Å²	41.8	41%	0.411	23%	0.228	S	C	.	.	H	α-helix	trans	-68.8	-47.2	-177.7	-62.7	78.5	9.2	0	0	110.8	R287 S309 K314 L315	R287-Q311 HydrophobicContact CG-CB 4.31Å; S309-Q311 PolarHBondContact O-N 3.16Å; Q311-K314 PolarHBondContact O-N 3.35Å; Q311-L315 PolarHBondContact O-N 2.85Å
312	T	90.8	Very high	88	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-42.2	178	-54.4	0	0	0	0	110.8	E253 R287 L290 L308 S309 K314 L315 L316	E253-T312 WeakPolarHBondContact OE2-CB 3.35Å; E253-T312 PolarHBondContact OE2-OG1 2.88Å; R287-T312 PolarHBondContact NE-OG1 3.25Å; R287-T312 PolarHBondContact NH2-OG1 3.39Å; L290-T312 HydrophobicContact CD2-CG2 3.9Å; L308-T312 HydrophobicContact CD1-CG2 4.13Å; L308-T312 HydrophobicContact CD2-CG2 4.09Å; S309-T312 PolarHBondContact O-N 3.16Å; S309-T312 PolarHBondContact OG-OG1 2.91Å; T312-K314 PolarHBondContact O-N 3.25Å; T312-L315 PolarHBondContact O-N 3.49Å; T312-L316 HydrophobicContact CG2-CD1 4.4Å; T312-L316 WeakPolarHBondContact O-CG 3.37Å; T312-L316 PolarHBondContact O-N 3.32Å
313	S	89.9	Confident	86.6	Confident	25 Å²	25	46.6 Å²	46.6	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-42.8	174.2	-70.3	0	0	0	0	112.8	S309 L316 L317	S309-S313 WeakPolarHBondContact O-CB 3.4Å; S309-S313 PolarHBondContact O-N 3.33Å; S309-S313 PolarHBondContact O-OG 3.13Å; S313-L316 PolarHBondContact O-N 3.1Å; S313-L317 WeakPolarHBondContact O-CB 3.48Å; S313-L317 VanDerWaalsContact O-CG 3.29Å; S313-L317 WeakPolarHBondContact O-CG 3.28Å; S313-L317 PolarHBondContact O-N 2.89Å
314	K	87.5	Confident	84.8	Confident	116 Å²	116	51.7 Å²	51.7	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-37.2	176.1	-75.4	166	-172.4	169.9	0	112.4	D310 Q311 T312 S318	D310-K314 VanDerWaalsContact O-CB 3.24Å; D310-K314 WeakPolarHBondContact O-CB 3.27Å; D310-K314 WeakPolarHBondContact O-CD 3.38Å; D310-K314 WeakPolarHBondContact O-CG 3.31Å; D310-K314 PolarHBondContact O-N 3.09Å; Q311-K314 PolarHBondContact O-N 3.35Å; T312-K314 PolarHBondContact O-N 3.25Å; K314-S318 VanDerWaalsContact O-CB 3.32Å; K314-S318 WeakPolarHBondContact O-CB 3.26Å; K314-S318 PolarHBondContact O-N 3.17Å
315	L	87.2	Confident	83.1	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-51.9	173.5	179.1	63.9	0	0	0	111.1	R287 L290 E291 I294 Q311 T312 L317 S318 I319	R287-L315 HydrophobicContact CB-CD2 3.73Å; L290-L315 HydrophobicContact CB-CD2 4.43Å; L290-L315 HydrophobicContact CD2-CD2 4.14Å; L290-L315 HydrophobicContact CG-CD2 4.12Å; E291-L315 HydrophobicContact CB-CD1 4.06Å; E291-L315 HydrophobicContact CB-CD2 4.02Å; E291-L315 HydrophobicContact CG-CD1 3.86Å; E291-L315 VanDerWaalsContact OE2-CD1 3.29Å; E291-L315 WeakPolarHBondContact OE2-CD1 3.45Å; I294-L315 HydrophobicContact CD1-CD2 4.32Å; Q311-L315 PolarHBondContact O-N 2.85Å; T312-L315 PolarHBondContact O-N 3.49Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 3.18Å; L315-S318 WeakPolarHBondContact O-CB 3.38Å; L315-S318 PolarHBondContact O-N 3.24Å; L315-S318 VanDerWaalsContact O-N 3.09Å; L315-I319 HydrophobicContact CD1-CD1 3.87Å; L315-I319 HydrophobicContact CD1-CG1 4.2Å; L315-I319 HydrophobicContact CG-CD1 3.95Å; L315-I319 WeakPolarHBondContact O-CG1 3.38Å; L315-I319 PolarHBondContact O-N 2.88Å
316	L	88.6	Confident	81.4	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-39.9	-179	-67	174.9	0	0	0	112.3	I251 I294 V302 V304 L308 T312 S313 I319 A320	I251-L316 HydrophobicContact CD1-CD1 4.36Å; I251-L316 HydrophobicContact CD1-CD2 3.96Å; I294-L316 HydrophobicContact CD1-CD2 3.99Å; V302-L316 HydrophobicContact CG1-CD2 4.25Å; V304-L316 HydrophobicContact CG1-CD1 3.91Å; L308-L316 HydrophobicContact CD1-CD1 3.79Å; T312-L316 HydrophobicContact CG2-CD1 4.4Å; T312-L316 WeakPolarHBondContact O-CG 3.37Å; T312-L316 PolarHBondContact O-N 3.32Å; S313-L316 PolarHBondContact O-N 3.1Å; L316-I319 PolarHBondContact O-N 3.42Å; L316-A320 VanDerWaalsContact O-CB 3.28Å; L316-A320 WeakPolarHBondContact O-CB 3.16Å; L316-A320 PolarHBondContact O-N 3.45Å
317	L	85.3	Confident	80	Confident	99 Å²	99	62 Å²	62	52%	0.518	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-37.8	173	-72.6	169.9	0	0	0	112.6	S313 L315 N321	S313-L317 WeakPolarHBondContact O-CB 3.48Å; S313-L317 VanDerWaalsContact O-CG 3.29Å; S313-L317 WeakPolarHBondContact O-CG 3.28Å; S313-L317 PolarHBondContact O-N 2.89Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 3.18Å; L317-N321 VanDerWaalsContact O-CB 3.31Å; L317-N321 WeakPolarHBondContact O-CB 3.35Å; L317-N321 VanDerWaalsContact O-CG 3.3Å; L317-N321 PolarHBondContact O-N 2.97Å; L317-N321 VanDerWaalsContact O-N 3.11Å; L317-N321 PolarHBondContact O-ND2 3.39Å
318	S	83.4	Confident	78.9	Confident	27 Å²	27	60.8 Å²	60.8	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.9	-172.4	0	0	0	0	111.6	K314 L315 A322	K314-S318 VanDerWaalsContact O-CB 3.32Å; K314-S318 WeakPolarHBondContact O-CB 3.26Å; K314-S318 PolarHBondContact O-N 3.17Å; L315-S318 WeakPolarHBondContact O-CB 3.38Å; L315-S318 PolarHBondContact O-N 3.24Å; L315-S318 VanDerWaalsContact O-N 3.09Å; S318-A322 PolarHBondContact O-N 2.95Å
319	I	81.8	Confident	78.5	Confident	39 Å²	39	65.1 Å²	65.1	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-72.5	-43.5	-179.6	-57.7	173.3	0	0	0	110.5	I294 L315 L316 N321 A322 I330	I294-I319 HydrophobicContact CB-CD1 4.24Å; I294-I319 HydrophobicContact CD1-CD1 3.92Å; I294-I319 HydrophobicContact CG2-CD1 3.76Å; I294-I319 HydrophobicContact CG2-CG2 4.31Å; L315-I319 HydrophobicContact CD1-CD1 3.87Å; L315-I319 HydrophobicContact CD1-CG1 4.2Å; L315-I319 HydrophobicContact CG-CD1 3.95Å; L315-I319 WeakPolarHBondContact O-CG1 3.38Å; L315-I319 PolarHBondContact O-N 2.88Å; L316-I319 PolarHBondContact O-N 3.42Å; I319-N321 PolarHBondContact O-N 3.31Å; I319-A322 WeakPolarHBondContact O-CB 3.28Å; I319-A322 PolarHBondContact O-N 3.14Å; I319-I330 HydrophobicContact CG2-CD1 3.6Å
320	A	81.8	Confident	78.4	Confident	10 Å²	10	65.1 Å²	65.1	8%	0.083	36%	0.362	C	S	.	.	H	α-helix	trans	-66.5	-18.3	177.6	0	0	0	0	0	114.2	L316 S323 R329 I330	L316-A320 VanDerWaalsContact O-CB 3.28Å; L316-A320 WeakPolarHBondContact O-CB 3.16Å; L316-A320 PolarHBondContact O-N 3.45Å; A320-S323 PolarHBondContact O-OG 3.18Å; A320-R329 WeakPolarHBondContact O-CG 3.3Å; A320-R329 PolarHBondContact O-NE 3.25Å; A320-I330 HydrophobicContact CB-CB 4.4Å
321	N	79.9	Confident	78.5	Confident	93 Å²	93	62.1 Å²	62.1	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-96	-8.5	172.4	-71.9	-35.4	0	0	0	113.8	L317 I319 S323	L317-N321 VanDerWaalsContact O-CB 3.31Å; L317-N321 WeakPolarHBondContact O-CB 3.35Å; L317-N321 VanDerWaalsContact O-CG 3.3Å; L317-N321 PolarHBondContact O-N 2.97Å; L317-N321 VanDerWaalsContact O-N 3.11Å; L317-N321 PolarHBondContact O-ND2 3.39Å; I319-N321 PolarHBondContact O-N 3.31Å; N321-S323 VanDerWaalsContact C-N 3.33Å
322	A	71.3	Confident	78.7	Confident	79 Å²	79	60.7 Å²	60.7	65%	0.653	34%	0.341	S	S	*	.	H	α-helix	trans	-76.6	-19.2	179.2	0	0	0	0	0	113.3	S318 I319 A324	S318-A322 PolarHBondContact O-N 2.95Å; I319-A322 WeakPolarHBondContact O-CB 3.28Å; I319-A322 PolarHBondContact O-N 3.14Å; A322-A324 PolarHBondContact O-N 3.07Å
323	S	66.3	Low	78.8	Confident	23 Å²	23	61.3 Å²	61.3	16%	0.161	34%	0.343	C	S	.	.			trans	-66.5	109.4	174.7	60.2	0	0	0	0	110.7	A320 N321 Q325 R329	A320-S323 PolarHBondContact O-OG 3.18Å; N321-S323 VanDerWaalsContact C-N 3.33Å; S323-Q325 PolarHBondContact O-N 3.08Å; S323-R329 WeakPolarHBondContact OG-CA 3.28Å
324	A	56.3	Low	79	Confident	108 Å²	108	67.7 Å²	67.7	89%	0.893	36%	0.363	S	S	*	.	S	Bend	trans	-64.7	-21.3	-179.8	0	0	0	0	0	113.8	A322	A322-A324 PolarHBondContact O-N 3.07Å
325	Q	61.2	Low	79.3	Confident	137 Å²	137	64 Å²	64	64%	0.64	35%	0.347	S	S	*	.	S	Bend	trans	-106.2	141.3	175.8	-61.8	-175.4	5.8	0	0	111	S323 D327 D328	S323-Q325 PolarHBondContact O-N 3.08Å; Q325-D327 VanDerWaalsContact C-N 3.32Å; Q325-D327 PolarHBondContact O-N 3.49Å; Q325-D328 PolarHBondContact O-N 3.16Å
326	T	59.1	Low	79.6	Confident	97 Å²	97	68.5 Å²	68.5	60%	0.595	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-63.1	-36.1	177.5	39.4	0	0	0	0	113	D328 R329	T326-D328 VanDerWaalsContact C-N 3.25Å; T326-D328 PolarHBondContact O-N 3.42Å; T326-R329 PolarHBondContact O-N 3.25Å
327	D	61	Low	79.7	Confident	65 Å²	65	69.1 Å²	69.1	35%	0.348	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-67.5	-20.6	179.4	-73.1	-88.7	0	0	0	114.1	S177 H178 K214 Q325	S177-D327 WeakPolarHBondContact CB-OD1 3.22Å; S177-D327 CarbonylContact O-C 3.59Å; S177-D327 WeakPolarHBondContact O-CA 3.24Å; S177-D327 PolarHBondContact OG-OD1 2.94Å; H178-D327 IonicContact CE1-OD1 2.68Å; H178-D327 PolarHBondContact CE1-OD1 3.24Å; H178-D327 IonicContact CE1-OD2 3.06Å; H178-D327 IonicContact ND1-OD1 3.42Å; H178-D327 PolarHBondContact ND1-OD1 3.45Å; K214-D327 PolarHBondContact NZ-O 3.35Å; Q325-D327 VanDerWaalsContact C-N 3.32Å; Q325-D327 PolarHBondContact O-N 3.49Å
328	D	68.9	Low	80.1	Confident	90 Å²	90	67 Å²	67	48%	0.481	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-102.2	2.3	-176.5	-158.5	40.7	0	0	0	113.4	Q325 T326 I330	Q325-D328 PolarHBondContact O-N 3.16Å; T326-D328 VanDerWaalsContact C-N 3.25Å; T326-D328 PolarHBondContact O-N 3.42Å; D328-I330 PolarHBondContact O-N 3.36Å
329	R	81.9	Confident	80.5	Confident	113 Å²	113	67.6 Å²	67.6	43%	0.426	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-60.8	128.3	177.4	173.5	165.2	-68	158.2	6.7	112.1	K214 A320 S323 T326 R331	K214-R329 WeakPolarHBondContact CE-O 3.4Å; K214-R329 PolarHBondContact NZ-O 3.32Å; A320-R329 WeakPolarHBondContact O-CG 3.3Å; A320-R329 PolarHBondContact O-NE 3.25Å; S323-R329 WeakPolarHBondContact OG-CA 3.28Å; T326-R329 PolarHBondContact O-N 3.25Å; R329-R331 PolarHBondContact O-N 2.8Å
330	I	87.8	Confident	81.1	Confident	31 Å²	31	66.3 Å²	66.3	16%	0.159	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-59.3	126.9	172	-55.6	-175.6	0	0	0	110	P299 V302 I319 A320 D328	P299-I330 WeakPolarHBondContact O-CD1 3.42Å; P299-I330 WeakPolarHBondContact O-CG1 3.38Å; V302-I330 HydrophobicContact CG2-CG2 3.63Å; I319-I330 HydrophobicContact CG2-CD1 3.6Å; A320-I330 HydrophobicContact CB-CB 4.4Å; D328-I330 PolarHBondContact O-N 3.36Å
331	R	90.4	Very high	81.6	Confident	43 Å²	43	71 Å²	71	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.7	172.8	174.6	175.8	167.6	84.9	14.2	109.9	G179 V300 E301 V302 R329 E333	G179-R331 PolarHBondContact O-NH1 3.34Å; V300-R331 PolarHBondContact O-N 2.88Å; E301-R331 CarbonylContact C-O 3.46Å; E301-R331 VanDerWaalsContact CA-O 3.28Å; E301-R331 WeakPolarHBondContact CA-O 3.46Å; E301-R331 HydrophobicContact CB-CB 4.46Å; E301-R331 HydrophobicContact CG-CB 4.1Å; E301-R331 HydrophobicContact CG-CG 4.13Å; E301-R331 WeakPolarHBondContact OE1-CD 3.24Å; E301-R331 IonicContact OE1-NE 2.73Å; E301-R331 PolarHBondContact OE1-NE 2.73Å; V302-R331 PolarHBondContact N-O 3.05Å; R329-R331 PolarHBondContact O-N 2.8Å; R331-E333 IonicContact CZ-OE2 2.78Å; R331-E333 IonicContact NE-OE2 3.19Å; R331-E333 IonicContact NH2-OE2 3.4Å; R331-E333 PolarHBondContact NH2-OE2 3.1Å
332	V	91.9	Very high	82.2	Confident	59 Å²	59	70.5 Å²	70.5	36%	0.358	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.1	173.1	-176.5	0	0	0	0	109.5	V302 V304	V302-V332 CarbonylContact O-C 3.59Å; V302-V332 WeakPolarHBondContact O-CA 3.5Å; V304-V332 HydrophobicContact CG2-CG1 3.85Å
333	E	93.4	Very high	83.3	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.056	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.9	172.9	179.4	85.9	174.4	0	0	108.9	K181 V302 L303 V304 R331 R335 Y384	K181-E333 WeakPolarHBondContact CE-OE2 3.43Å; K181-E333 IonicContact NZ-OE1 3.8Å; K181-E333 PolarHBondContact NZ-OE1 2.9Å; K181-E333 IonicContact NZ-OE2 3.05Å; K181-E333 PolarHBondContact NZ-OE2 3.23Å; V302-E333 PolarHBondContact O-N 3.18Å; L303-E333 HydrophobicContact CD1-CB 3.99Å; L303-E333 HydrophobicContact CD1-CG 3.61Å; V304-E333 WeakPolarHBondContact CG2-O 3.46Å; V304-E333 PolarHBondContact N-O 2.54Å; R331-E333 IonicContact CZ-OE2 2.78Å; R331-E333 IonicContact NE-OE2 3.19Å; R331-E333 IonicContact NH2-OE2 3.4Å; R331-E333 PolarHBondContact NH2-OE2 3.1Å; E333-R335 IonicContact OE1-CZ 3.95Å; E333-R335 IonicContact OE1-NE 3.93Å; E333-R335 PolarHBondContact OE1-NE 3.36Å; E333-R335 IonicContact OE1-NH2 3.15Å; E333-R335 PolarHBondContact OE1-NH2 3.43Å; E333-R335 VanDerWaalsContact OE1-NH2 3.15Å; E333-Y384 HydrophobicContact CG-CD2 4.44Å; E333-Y384 HydrophobicContact CG-CE2 3.7Å; E333-Y384 WeakPolarHBondContact OE1-CE2 3.46Å
334	R	93.6	Very high	84.6	Confident	159 Å²	159	71.7 Å²	71.7	60%	0.6	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.1	172.9	-72.9	-177.5	174.3	149.5	-0.8	110.7	V304	V304-R334 HydrophobicContact CG2-CG 3.89Å; V304-R334 WeakPolarHBondContact O-CA 3.38Å
335	R	93.7	Very high	86.3	Confident	40 Å²	40	66.6 Å²	66.6	15%	0.151	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	168.8	175.8	-78	-67.2	163.6	129.7	-1.9	111.7	L303 V304 S306 E333 S337 E339 F340 E387	L303-R335 HydrophobicContact CD1-CG 3.76Å; V304-R335 PolarHBondContact O-N 3.09Å; S306-R335 WeakPolarHBondContact CB-O 3.47Å; S306-R335 PolarHBondContact N-O 2.91Å; S306-R335 VanDerWaalsContact N-O 3.12Å; S306-R335 PolarHBondContact OG-O 3.23Å; E333-R335 IonicContact OE1-CZ 3.95Å; E333-R335 IonicContact OE1-NE 3.93Å; E333-R335 PolarHBondContact OE1-NE 3.36Å; E333-R335 IonicContact OE1-NH2 3.15Å; E333-R335 PolarHBondContact OE1-NH2 3.43Å; E333-R335 VanDerWaalsContact OE1-NH2 3.15Å; R335-S337 PolarHBondContact O-N 2.86Å; R335-E339 WeakPolarHBondContact CB-OE2 3.4Å; R335-E339 WeakPolarHBondContact CD-OE2 3.01Å; R335-F340 HydrophobicContact CB-CE2 3.89Å; R335-E387 IonicContact CZ-OE1 3.49Å; R335-E387 VanDerWaalsContact CZ-OE1 3.28Å; R335-E387 IonicContact CZ-OE2 3.94Å; R335-E387 IonicContact NH1-OE1 3.05Å; R335-E387 PolarHBondContact NH1-OE1 2.92Å; R335-E387 IonicContact NH1-OE2 3.84Å; R335-E387 VanDerWaalsContact NH2-CD 3.31Å; R335-E387 IonicContact NH2-OE1 2.92Å; R335-E387 PolarHBondContact NH2-OE1 3.27Å; R335-E387 IonicContact NH2-OE2 3.84Å; R335-E387 PolarHBondContact NH2-OE2 2.67Å
336	D	93.6	Very high	87.8	Confident	101 Å²	101	61.8 Å²	61.8	54%	0.54	32%	0.315	S	S	.	.			trans	-66.5	131.4	178.2	-167.5	-25.7	0	0	0	109.4	A338 E339	D336-A338 PolarHBondContact O-N 3.01Å; D336-A338 VanDerWaalsContact O-N 3.16Å; D336-A338 WeakPolarHBondContact OD1-CB 3.19Å; D336-A338 PolarHBondContact OD1-N 3Å; D336-E339 HydrophobicContact CB-CG 4.37Å; D336-E339 VanDerWaalsContact O-CB 3.32Å; D336-E339 WeakPolarHBondContact O-CB 3.48Å; D336-E339 PolarHBondContact O-N 3.4Å
337	S	92.3	Very high	89.4	Confident	26 Å²	26	62.2 Å²	62.2	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-23	177.5	-56.4	0	0	0	0	112.5	S306 D307 R335 E339 F340 E341	S306-S337 PolarHBondContact N-OG 2.69Å; D307-S337 PolarHBondContact N-OG 3.17Å; D307-S337 WeakPolarHBondContact OD1-CB 3.31Å; D307-S337 PolarHBondContact OD1-OG 2.66Å; R335-S337 PolarHBondContact O-N 2.86Å; S337-E339 PolarHBondContact O-N 3.06Å; S337-F340 PolarHBondContact O-N 3.38Å; S337-F340 VanDerWaalsContact O-N 3.13Å; S337-E341 PolarHBondContact O-N 3.38Å
338	A	93.6	Very high	90.8	Very high	54 Å²	54	59.8 Å²	59.8	45%	0.446	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-19.3	170.7	0	0	0	0	0	114.2	D336 S344	D336-A338 PolarHBondContact O-N 3.01Å; D336-A338 VanDerWaalsContact O-N 3.16Å; D336-A338 WeakPolarHBondContact OD1-CB 3.19Å; D336-A338 PolarHBondContact OD1-N 3Å; A338-S344 WeakPolarHBondContact O-CB 3.3Å; A338-S344 PolarHBondContact O-OG 3.14Å
339	E	91.8	Very high	91.8	Very high	41 Å²	41	55.5 Å²	55.5	19%	0.192	28%	0.28	C	S	.	.	H	α-helix	trans	-74.9	-32.7	171.8	-62	172.2	-162	0	0	111.1	R335 D336 S337 P380	R335-E339 WeakPolarHBondContact CB-OE2 3.4Å; R335-E339 WeakPolarHBondContact CD-OE2 3.01Å; D336-E339 HydrophobicContact CB-CG 4.37Å; D336-E339 VanDerWaalsContact O-CB 3.32Å; D336-E339 WeakPolarHBondContact O-CB 3.48Å; D336-E339 PolarHBondContact O-N 3.4Å; S337-E339 PolarHBondContact O-N 3.06Å; E339-P380 HydrophobicContact CB-CB 4.39Å; E339-P380 HydrophobicContact CB-CG 4.01Å; E339-P380 WeakPolarHBondContact O-CG 3.21Å
340	F	93.5	Very high	92.2	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-86.4	-6.3	-179.1	-67.7	-102.7	0	0	0	113.6	L303 P305 R335 S337 F342 C376 P380	L303-F340 HydrophobicContact CG-CZ 4.43Å; P305-F340 HydrophobicContact CB-CB 4.42Å; P305-F340 HydrophobicContact CB-CD1 4.36Å; P305-F340 HydrophobicContact CB-CD2 3.69Å; P305-F340 HydrophobicContact CB-CE2 3.97Å; P305-F340 HydrophobicContact CB-CG 3.91Å; P305-F340 HydrophobicContact CB-CZ 4.42Å; P305-F340 HydrophobicContact CG-CD1 4.39Å; P305-F340 HydrophobicContact CG-CG 4.38Å; R335-F340 HydrophobicContact CB-CE2 3.89Å; S337-F340 PolarHBondContact O-N 3.38Å; S337-F340 VanDerWaalsContact O-N 3.13Å; F340-F342 PolarHBondContact O-N 3.48Å; F340-C376 VanDerWaalsContact CD1-O 3.26Å; F340-C376 WeakPolarHBondContact CD1-O 3.47Å; F340-C376 VanDerWaalsContact O-CB 3.28Å; F340-C376 WeakPolarHBondContact O-CB 3.47Å; F340-C376 PolarHBondContact O-SG 3.08Å; F340-P380 HydrophobicContact CB-CG 4.48Å; F340-P380 HydrophobicContact CD1-CG 3.86Å; F340-P380 HydrophobicContact CD2-CB 4.35Å; F340-P380 HydrophobicContact CD2-CG 3.81Å; F340-P380 HydrophobicContact CE1-CB 4.18Å; F340-P380 HydrophobicContact CE1-CG 3.96Å; F340-P380 HydrophobicContact CE2-CB 3.94Å; F340-P380 HydrophobicContact CE2-CG 3.9Å; F340-P380 HydrophobicContact CG-CG 3.78Å; F340-P380 HydrophobicContact CZ-CB 3.85Å; F340-P380 HydrophobicContact CZ-CG 3.98Å
341	E	93.3	Very high	92.2	Very high	109 Å²	109	57.9 Å²	57.9	51%	0.509	30%	0.296	S	S	.	.	S	Bend	trans	-63.2	131.6	172.8	-159.9	-142.3	115.9	0	0	109.5	S337 T343 S344 A345	S337-E341 PolarHBondContact O-N 3.38Å; E341-T343 PolarHBondContact O-N 2.89Å; E341-T343 WeakPolarHBondContact OE1-CB 3.41Å; E341-T343 PolarHBondContact OE1-OG1 3.08Å; E341-S344 WeakPolarHBondContact O-CA 3.46Å; E341-S344 WeakPolarHBondContact O-CB 3.47Å; E341-S344 PolarHBondContact O-N 3.04Å; E341-A345 PolarHBondContact O-N 2.84Å
342	F	92.5	Very high	92.1	Very high	83 Å²	83	57 Å²	57	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-51.6	-38.9	-173.8	179.2	-103	0	0	0	113.4	F340 M346 S372 I375	F340-F342 PolarHBondContact O-N 3.48Å; F342-M346 HydrophobicContact CE2-CE 4.17Å; F342-M346 HydrophobicContact CZ-CE 3.79Å; F342-M346 WeakPolarHBondContact O-CB 3.28Å; F342-M346 PolarHBondContact O-N 2.91Å; F342-S372 VanDerWaalsContact CD2-OG 3.28Å; F342-S372 WeakPolarHBondContact CD2-OG 3.48Å; F342-I375 HydrophobicContact CD2-CB 4.29Å; F342-I375 HydrophobicContact CD2-CG2 4.08Å; F342-I375 HydrophobicContact CE2-CB 4.04Å; F342-I375 HydrophobicContact CE2-CD1 3.86Å; F342-I375 HydrophobicContact CE2-CG2 3.89Å
343	T	92.7	Very high	91.8	Very high	82 Å²	82	54.7 Å²	54.7	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-42.8	176.4	-42.1	0	0	0	0	112	E341 N347	E341-T343 PolarHBondContact O-N 2.89Å; E341-T343 WeakPolarHBondContact OE1-CB 3.41Å; E341-T343 PolarHBondContact OE1-OG1 3.08Å; T343-N347 WeakPolarHBondContact O-CB 3.38Å; T343-N347 VanDerWaalsContact O-CG 3.24Å; T343-N347 PolarHBondContact O-N 2.85Å; T343-N347 PolarHBondContact O-ND2 3.44Å
344	S	93.9	Very high	91	Very high	45 Å²	45	57.7 Å²	57.7	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-70.6	-49.1	179.8	-165.6	0	0	0	0	111.2	A338 E341 N347 A348	A338-S344 WeakPolarHBondContact O-CB 3.3Å; A338-S344 PolarHBondContact O-OG 3.14Å; E341-S344 WeakPolarHBondContact O-CA 3.46Å; E341-S344 WeakPolarHBondContact O-CB 3.47Å; E341-S344 PolarHBondContact O-N 3.04Å; S344-N347 PolarHBondContact O-N 2.69Å; S344-A348 PolarHBondContact O-N 2.73Å
345	A	93.2	Very high	89.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-42.8	180	0	0	0	0	0	112.5	E341 A348 V349 I375	E341-A345 PolarHBondContact O-N 2.84Å; A345-A348 WeakPolarHBondContact O-CB 3.44Å; A345-A348 PolarHBondContact O-N 3.2Å; A345-V349 WeakPolarHBondContact O-CG2 3.48Å; A345-V349 PolarHBondContact O-N 2.88Å; A345-I375 WeakPolarHBondContact CB-O 3.41Å
346	M	92.2	Very high	87.8	Confident	37 Å²	37	56.9 Å²	56.9	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-42.2	173.8	-179.6	61.6	84.6	0	0	111.5	F342 A348 V349 V350 A368 I375	F342-M346 HydrophobicContact CE2-CE 4.17Å; F342-M346 HydrophobicContact CZ-CE 3.79Å; F342-M346 WeakPolarHBondContact O-CB 3.28Å; F342-M346 PolarHBondContact O-N 2.91Å; M346-A348 VanDerWaalsContact C-N 3.29Å; M346-A348 PolarHBondContact O-N 3.35Å; M346-V349 PolarHBondContact O-N 3.39Å; M346-V350 HydrophobicContact CG-CG2 4.18Å; M346-V350 WeakPolarHBondContact O-CB 3.46Å; M346-V350 VanDerWaalsContact O-CG2 3.29Å; M346-V350 WeakPolarHBondContact O-CG2 3.24Å; M346-V350 PolarHBondContact O-N 3.26Å; M346-V350 HydrophobicContact SD-CG2 3.9Å; M346-A368 HydrophobicContact CE-CB 4.47Å; M346-I375 HydrophobicContact CB-CG2 4.24Å; M346-I375 HydrophobicContact CE-CD1 3.8Å; M346-I375 HydrophobicContact CE-CG2 4.22Å
347	N	91.8	Very high	85.5	Confident	105 Å²	105	58.4 Å²	58.4	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-61.9	-36.4	175.6	-79.3	-38.9	0	0	0	112.2	T343 S344 K351	T343-N347 WeakPolarHBondContact O-CB 3.38Å; T343-N347 VanDerWaalsContact O-CG 3.24Å; T343-N347 PolarHBondContact O-N 2.85Å; T343-N347 PolarHBondContact O-ND2 3.44Å; S344-N347 PolarHBondContact O-N 2.69Å; N347-K351 WeakPolarHBondContact O-CB 3.21Å; N347-K351 PolarHBondContact O-N 3.47Å
348	A	91.3	Very high	83.4	Confident	14 Å²	14	63.2 Å²	63.2	12%	0.116	34%	0.342	C	S	.	.	H	α-helix	trans	-66.3	-45.4	174.1	0	0	0	0	0	112.3	S344 A345 M346 K351 F352 Q383	S344-A348 PolarHBondContact O-N 2.73Å; A345-A348 WeakPolarHBondContact O-CB 3.44Å; A345-A348 PolarHBondContact O-N 3.2Å; M346-A348 VanDerWaalsContact C-N 3.29Å; M346-A348 PolarHBondContact O-N 3.35Å; A348-K351 PolarHBondContact O-N 2.84Å; A348-F352 WeakPolarHBondContact O-CB 3.28Å; A348-F352 PolarHBondContact O-N 3.44Å; A348-Q383 HydrophobicContact CB-CG 4.41Å
349	V	90.5	Very high	81.1	Confident	1 Å²	1	69 Å²	69	1%	0.006	36%	0.358	C	S	.	.	H	α-helix	trans	-59	-52.2	174.8	164.5	0	0	0	0	111.3	A345 M346 K351 F352 Y353 V367 L378 I382	A345-V349 WeakPolarHBondContact O-CG2 3.48Å; A345-V349 PolarHBondContact O-N 2.88Å; M346-V349 PolarHBondContact O-N 3.39Å; V349-K351 VanDerWaalsContact C-N 3.35Å; V349-K351 PolarHBondContact O-N 3.02Å; V349-F352 WeakPolarHBondContact O-CB 3.05Å; V349-F352 PolarHBondContact O-N 3.49Å; V349-F352 VanDerWaalsContact O-N 3.15Å; V349-Y353 HydrophobicContact CG1-CD2 4.02Å; V349-Y353 HydrophobicContact CG1-CE2 3.99Å; V349-Y353 VanDerWaalsContact O-CD2 3.28Å; V349-Y353 WeakPolarHBondContact O-CD2 3.4Å; V349-Y353 PolarHBondContact O-N 2.63Å; V349-V367 HydrophobicContact CG1-CG1 3.83Å; V349-L378 HydrophobicContact CG2-CB 4.3Å; V349-L378 HydrophobicContact CG2-CD2 4.01Å; V349-L378 HydrophobicContact CG2-CG 3.99Å; V349-I382 HydrophobicContact CG2-CD1 3.93Å
350	V	89.1	Confident	79	Confident	53 Å²	53	70.2 Å²	70.2	32%	0.321	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-43.4	178.8	173.5	0	0	0	0	110.9	M346 F352 C354 L364	M346-V350 HydrophobicContact CG-CG2 4.18Å; M346-V350 WeakPolarHBondContact O-CB 3.46Å; M346-V350 VanDerWaalsContact O-CG2 3.29Å; M346-V350 WeakPolarHBondContact O-CG2 3.24Å; M346-V350 PolarHBondContact O-N 3.26Å; M346-V350 HydrophobicContact SD-CG2 3.9Å; V350-F352 VanDerWaalsContact C-N 3.3Å; V350-F352 PolarHBondContact O-N 3.24Å; V350-C354 WeakPolarHBondContact O-CB 3.11Å; V350-C354 PolarHBondContact O-N 3.46Å; V350-C354 PolarHBondContact O-SG 2.92Å; V350-L364 HydrophobicContact CB-CD1 4.47Å; V350-L364 HydrophobicContact CG2-CD1 4.22Å
351	K	88.9	Confident	76.9	Confident	140 Å²	140	74.7 Å²	74.7	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-59	-42.5	175.9	-175.3	-177.6	177	-172.2	0	111.4	N347 A348 V349 H355	N347-K351 WeakPolarHBondContact O-CB 3.21Å; N347-K351 PolarHBondContact O-N 3.47Å; A348-K351 PolarHBondContact O-N 2.84Å; V349-K351 VanDerWaalsContact C-N 3.35Å; V349-K351 PolarHBondContact O-N 3.02Å; K351-H355 PolarHBondContact O-N 3.44Å; K351-H355 PolarHBondContact O-ND1 2.92Å
352	F	88.6	Confident	74.8	Confident	25 Å²	25	79.3 Å²	79.3	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-62	-57.7	-179	179.6	-119.5	0	0	0	112.6	A348 V349 V350 C354 I382 E391 L394 R395	A348-F352 WeakPolarHBondContact O-CB 3.28Å; A348-F352 PolarHBondContact O-N 3.44Å; V349-F352 WeakPolarHBondContact O-CB 3.05Å; V349-F352 PolarHBondContact O-N 3.49Å; V349-F352 VanDerWaalsContact O-N 3.15Å; V350-F352 VanDerWaalsContact C-N 3.3Å; V350-F352 PolarHBondContact O-N 3.24Å; F352-C354 PolarHBondContact O-N 3.36Å; F352-I382 HydrophobicContact CB-CD1 4.24Å; F352-I382 HydrophobicContact CB-CG2 4.05Å; F352-I382 HydrophobicContact CD1-CD1 3.81Å; F352-I382 HydrophobicContact CD1-CG1 4.29Å; F352-I382 HydrophobicContact CD1-CG2 4.38Å; F352-I382 HydrophobicContact CD2-CG2 3.99Å; F352-I382 HydrophobicContact CE1-CD1 4.48Å; F352-I382 HydrophobicContact CG-CD1 4.19Å; F352-I382 HydrophobicContact CG-CG2 3.89Å; F352-E391 HydrophobicContact CE2-CB 4.19Å; F352-E391 HydrophobicContact CE2-CG 3.59Å; F352-E391 HydrophobicContact CZ-CB 4.4Å; F352-E391 HydrophobicContact CZ-CG 4.11Å; F352-L394 HydrophobicContact CE1-CB 3.97Å; F352-L394 HydrophobicContact CZ-CB 4.32Å; F352-R395 HydrophobicContact CE1-CG 4.42Å; F352-R395 HydrophobicContact CZ-CG 3.82Å
353	Y	84.8	Confident	73.3	Confident	10 Å²	10	76 Å²	76	4%	0.039	40%	0.398	C	S	.	.	H	α-helix	trans	-73.6	-25.1	-175.8	-64.7	-76.8	0	0	0	113.9	V349 T356 L364 V367 L394	V349-Y353 HydrophobicContact CG1-CD2 4.02Å; V349-Y353 HydrophobicContact CG1-CE2 3.99Å; V349-Y353 VanDerWaalsContact O-CD2 3.28Å; V349-Y353 WeakPolarHBondContact O-CD2 3.4Å; V349-Y353 PolarHBondContact O-N 2.63Å; Y353-T356 PolarHBondContact O-OG1 2.92Å; Y353-L364 HydrophobicContact CD2-CD1 4.49Å; Y353-V367 HydrophobicContact CE2-CB 4.32Å; Y353-V367 HydrophobicContact CE2-CG1 3.89Å; Y353-V367 HydrophobicContact CE2-CG2 4.24Å; Y353-L394 WeakPolarHBondContact CE1-O 3.21Å; Y353-L394 PolarHBondContact OH-O 2.63Å
354	C	76.9	Confident	72.1	Confident	76 Å²	76	74.4 Å²	74.4	51%	0.514	39%	0.386	S	S	.	.	H	α-helix	trans	-82.9	-11.3	179.3	-67.9	0	0	0	0	115	V350 F352	V350-C354 WeakPolarHBondContact O-CB 3.11Å; V350-C354 PolarHBondContact O-N 3.46Å; V350-C354 PolarHBondContact O-SG 2.92Å; F352-C354 PolarHBondContact O-N 3.36Å
355	H	63.2	Low	70.8	Confident	141 Å²	141	76.2 Å²	76.2	65%	0.653	40%	0.399	S	S	*	.	S	Bend	trans	-94.3	-6.1	179.1	-76.2	66.7	0	0	0	113.8	K351	K351-H355 PolarHBondContact O-N 3.44Å; K351-H355 PolarHBondContact O-ND1 2.92Å
356	T	55.7	Low	69.7	Low	40 Å²	40	77.2 Å²	77.2	25%	0.245	41%	0.405	C	S	.	.	S	Bend	trans	-77.3	119.8	172.3	14.7	0	0	0	0	110.7	Y353 E358	Y353-T356 PolarHBondContact O-OG1 2.92Å; T356-E358 VanDerWaalsContact C-N 3.32Å; T356-E358 PolarHBondContact O-N 2.82Å
357	P	47	Very low	68.9	Low	134 Å²	134	75.4 Å²	75.4	87%	0.87	40%	0.397	S	S	*	.			trans	-79.4	1	-162.7	30.4	-37	0	0	0	116.3
358	E	47.7	Very low	68.1	Low	126 Å²	126	72.8 Å²	72.8	59%	0.589	39%	0.39	S	S	*	.	S	Bend	trans	-130.3	129	179.6	-68.6	-157	-162.1	0	0	113.7	T356 D360	T356-E358 VanDerWaalsContact C-N 3.32Å; T356-E358 PolarHBondContact O-N 2.82Å; E358-D360 VanDerWaalsContact C-N 3.26Å; E358-D360 PolarHBondContact O-N 2.76Å
359	K	45	Very low	67.7	Low	176 Å²	176	76.5 Å²	76.5	77%	0.765	42%	0.415	S	S	*	.	S	Bend	trans	60.9	-17.9	154.5	-63.1	165.4	-171.5	131.6	0	120.4	S361	K359-S361 VanDerWaalsContact C-N 3.26Å; K359-S361 PolarHBondContact O-N 2.81Å
360	D	47.8	Very low	67.5	Low	67 Å²	67	78 Å²	78	36%	0.358	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	29.2	-167.9	-73.7	-29.2	0	0	0	117.1	E358 R362 S363	E358-D360 VanDerWaalsContact C-N 3.26Å; E358-D360 PolarHBondContact O-N 2.76Å; D360-R362 PolarHBondContact O-N 3.06Å; D360-R362 VanDerWaalsContact O-N 3.13Å; D360-S363 PolarHBondContact O-N 3.03Å
361	S	48.9	Very low	67.4	Low	104 Å²	104	79.9 Å²	79.9	73%	0.727	43%	0.429	S	S	*	.	H	α-helix	trans	-65.5	-15.3	177	62.2	0	0	0	0	114.4	K359	K359-S361 VanDerWaalsContact C-N 3.26Å; K359-S361 PolarHBondContact O-N 2.81Å
362	R	50	Low	67.5	Low	207 Å²	207	75.2 Å²	75.2	78%	0.781	42%	0.415	S	S	*	.	H	α-helix	trans	-76.7	-46.7	173.7	-65	-176.6	-178.2	-179.2	0.7	111.8	D360 L364 S365 S366	D360-R362 PolarHBondContact O-N 3.06Å; D360-R362 VanDerWaalsContact O-N 3.13Å; R362-L364 PolarHBondContact O-N 3.23Å; R362-S365 PolarHBondContact O-N 3.11Å; R362-S365 PolarHBondContact O-OG 3.32Å; R362-S366 PolarHBondContact O-N 2.9Å; R362-S366 PolarHBondContact O-OG 3.45Å
363	S	60.5	Low	67.6	Low	13 Å²	13	74.5 Å²	74.5	9%	0.091	41%	0.412	C	S	.	.	H	α-helix	trans	-59.2	-31.7	-174.6	-44.4	0	0	0	0	113.1	D360 S366 V367	D360-S363 PolarHBondContact O-N 3.03Å; S363-S366 PolarHBondContact O-OG 3.19Å; S363-V367 WeakPolarHBondContact O-CB 3.29Å; S363-V367 WeakPolarHBondContact O-CG2 3.45Å; S363-V367 PolarHBondContact O-N 2.9Å
364	L	67.8	Low	68	Low	49 Å²	49	74.2 Å²	74.2	26%	0.257	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-42.1	172.7	-172.8	78.1	0	0	0	112.2	V350 Y353 R362 S366 A368	V350-L364 HydrophobicContact CB-CD1 4.47Å; V350-L364 HydrophobicContact CG2-CD1 4.22Å; Y353-L364 HydrophobicContact CD2-CD1 4.49Å; R362-L364 PolarHBondContact O-N 3.23Å; L364-S366 PolarHBondContact O-N 3.42Å; L364-A368 WeakPolarHBondContact O-CB 3.34Å; L364-A368 PolarHBondContact O-N 3.38Å
365	S	65.6	Low	68.7	Low	83 Å²	83	70.7 Å²	70.7	58%	0.58	39%	0.388	S	S	*	.	H	α-helix	trans	-70.6	-31.5	-171.6	68.1	0	0	0	0	113.6	R362	R362-S365 PolarHBondContact O-N 3.11Å; R362-S365 PolarHBondContact O-OG 3.32Å
366	S	71.2	Confident	70.2	Confident	20 Å²	20	64.4 Å²	64.4	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-79.4	-47.7	174.7	40.5	0	0	0	0	111.9	R362 S363 L364 A368 S369 E397	R362-S366 PolarHBondContact O-N 2.9Å; R362-S366 PolarHBondContact O-OG 3.45Å; S363-S366 PolarHBondContact O-OG 3.19Å; L364-S366 PolarHBondContact O-N 3.42Å; S366-A368 PolarHBondContact O-N 3.13Å; S366-S369 WeakPolarHBondContact O-CA 3.23Å; S366-S369 WeakPolarHBondContact O-CB 3.24Å; S366-S369 PolarHBondContact O-N 3.3Å; S366-S369 PolarHBondContact O-OG 2.99Å; S366-E397 VanDerWaalsContact CB-OE1 3.24Å; S366-E397 WeakPolarHBondContact CB-OE1 3.42Å; S366-E397 WeakPolarHBondContact CB-OE2 3.46Å; S366-E397 PolarHBondContact OG-OE1 3.4Å; S366-E397 PolarHBondContact OG-OE2 2.94Å
367	V	75.3	Confident	72	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-32.8	176.5	175.2	0	0	0	0	111.9	V349 Y353 S363 S369 F370 L378	V349-V367 HydrophobicContact CG1-CG1 3.83Å; Y353-V367 HydrophobicContact CE2-CB 4.32Å; Y353-V367 HydrophobicContact CE2-CG1 3.89Å; Y353-V367 HydrophobicContact CE2-CG2 4.24Å; S363-V367 WeakPolarHBondContact O-CB 3.29Å; S363-V367 WeakPolarHBondContact O-CG2 3.45Å; S363-V367 PolarHBondContact O-N 2.9Å; V367-S369 PolarHBondContact O-N 3.08Å; V367-F370 HydrophobicContact CB-CD2 4.37Å; V367-F370 HydrophobicContact CB-CE2 4.07Å; V367-F370 HydrophobicContact CG1-CD2 4.02Å; V367-F370 HydrophobicContact CG1-CE2 3.97Å; V367-F370 HydrophobicContact CG2-CE2 3.85Å; V367-F370 HydrophobicContact CG2-CZ 4.15Å; V367-F370 WeakPolarHBondContact O-CD2 3.4Å; V367-F370 WeakPolarHBondContact O-CG 3.49Å; V367-F370 PolarHBondContact O-N 3.11Å; V367-L378 HydrophobicContact CG1-CD2 3.65Å
368	A	75.3	Confident	74.3	Confident	50 Å²	50	56.1 Å²	56.1	41%	0.413	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.5	172.7	0	0	0	0	0	114.6	M346 L364 S366	M346-A368 HydrophobicContact CE-CB 4.47Å; L364-A368 WeakPolarHBondContact O-CB 3.34Å; L364-A368 PolarHBondContact O-N 3.38Å; S366-A368 PolarHBondContact O-N 3.13Å
369	S	82.6	Confident	76.4	Confident	92 Å²	92	50.1 Å²	50.1	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.8	174.7	75.6	0	0	0	0	114.3	S366 V367	S366-S369 WeakPolarHBondContact O-CA 3.23Å; S366-S369 WeakPolarHBondContact O-CB 3.24Å; S366-S369 PolarHBondContact O-N 3.3Å; S366-S369 PolarHBondContact O-OG 2.99Å; V367-S369 PolarHBondContact O-N 3.08Å
370	F	85.1	Confident	78.8	Confident	33 Å²	33	41.8 Å²	41.8	15%	0.145	24%	0.242	C	C	.	.	S	Bend	trans	-65.8	158.4	174.8	-62.5	-21.4	0	0	0	111.9	L278 V367 V374 I375 F400	L278-F370 HydrophobicContact CD2-CD1 4.48Å; L278-F370 HydrophobicContact CD2-CD2 3.83Å; L278-F370 HydrophobicContact CD2-CE1 4.24Å; L278-F370 HydrophobicContact CD2-CE2 3.53Å; L278-F370 HydrophobicContact CD2-CG 4.3Å; L278-F370 HydrophobicContact CD2-CZ 3.76Å; V367-F370 HydrophobicContact CB-CD2 4.37Å; V367-F370 HydrophobicContact CB-CE2 4.07Å; V367-F370 HydrophobicContact CG1-CD2 4.02Å; V367-F370 HydrophobicContact CG1-CE2 3.97Å; V367-F370 HydrophobicContact CG2-CE2 3.85Å; V367-F370 HydrophobicContact CG2-CZ 4.15Å; V367-F370 WeakPolarHBondContact O-CD2 3.4Å; V367-F370 WeakPolarHBondContact O-CG 3.49Å; V367-F370 PolarHBondContact O-N 3.11Å; F370-V374 HydrophobicContact CB-CB 4.44Å; F370-V374 HydrophobicContact CB-CG1 4.24Å; F370-V374 HydrophobicContact CD2-CG1 4.28Å; F370-I375 HydrophobicContact CB-CD1 4.33Å; F370-I375 HydrophobicContact CB-CG1 4.16Å; F370-I375 WeakPolarHBondContact O-CD1 3.35Å; F370-F400 HydrophobicContact CE2-CD1 4.3Å; F370-F400 HydrophobicContact CE2-CE1 4.45Å
371	D	87.6	Confident	81	Confident	91 Å²	91	38.6 Å²	38.6	49%	0.487	23%	0.225	S	C	.	.			trans	-58.4	144.8	176.6	-70.9	-76.3	0	0	0	112.9	C280 V374 I375	C280-D371 HydrophobicContact CB-CB 3.77Å; C280-D371 WeakPolarHBondContact CB-OD2 3.34Å; C280-D371 VanDerWaalsContact SG-CB 3.53Å; D371-V374 HydrophobicContact CB-CG2 4.22Å; D371-V374 WeakPolarHBondContact O-CA 3.47Å; D371-V374 WeakPolarHBondContact O-CB 3.49Å; D371-V374 PolarHBondContact O-N 3.15Å; D371-I375 PolarHBondContact O-N 3.26Å; D371-I375 VanDerWaalsContact O-N 3.09Å
372	S	90	Very high	83.2	Confident	43 Å²	43	33.8 Å²	33.8	30%	0.301	19%	0.191	S	C	.	.	H	α-helix	trans	-51.2	-46.9	-179.7	169	0	0	0	0	113.6	F342 V374 I375 C376	F342-S372 VanDerWaalsContact CD2-OG 3.28Å; F342-S372 WeakPolarHBondContact CD2-OG 3.48Å; S372-V374 VanDerWaalsContact C-N 3.3Å; S372-V374 PolarHBondContact O-N 3.05Å; S372-I375 PolarHBondContact O-N 3.06Å; S372-C376 PolarHBondContact O-N 3.26Å; S372-C376 PolarHBondContact O-SG 3.47Å
373	P	91	Very high	85.3	Confident	9 Å²	9	26.7 Å²	26.7	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-29.6	175.3	-25.8	37.1	0	0	0	115	N254 C377	N254-P373 HydrophobicContact CB-CG 4.37Å; P373-C377 PolarHBondContact O-N 3.3Å; P373-C377 VanDerWaalsContact O-N 3.15Å; P373-C377 PolarHBondContact O-SG 2.82Å
374	V	93.1	Very high	87	Confident	5 Å²	5	26.1 Å²	26.1	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-41.7	176.1	175	0	0	0	0	110.2	V267 L278 D279 C280 F370 D371 S372 C376 C377 L378	V267-V374 HydrophobicContact CG2-CG1 3.83Å; L278-V374 HydrophobicContact CB-CG1 3.98Å; L278-V374 HydrophobicContact CD2-CG1 3.91Å; D279-V374 WeakPolarHBondContact O-CG2 3.27Å; C280-V374 HydrophobicContact CB-CG2 3.88Å; F370-V374 HydrophobicContact CB-CB 4.44Å; F370-V374 HydrophobicContact CB-CG1 4.24Å; F370-V374 HydrophobicContact CD2-CG1 4.28Å; D371-V374 HydrophobicContact CB-CG2 4.22Å; D371-V374 WeakPolarHBondContact O-CA 3.47Å; D371-V374 WeakPolarHBondContact O-CB 3.49Å; D371-V374 PolarHBondContact O-N 3.15Å; S372-V374 VanDerWaalsContact C-N 3.3Å; S372-V374 PolarHBondContact O-N 3.05Å; V374-C376 VanDerWaalsContact C-N 3.35Å; V374-C377 WeakPolarHBondContact O-CB 3.19Å; V374-C377 PolarHBondContact O-N 3.4Å; V374-C377 VanDerWaalsContact O-N 3.14Å; V374-L378 WeakPolarHBondContact O-CB 3.19Å; V374-L378 PolarHBondContact O-N 2.87Å
375	I	93.1	Very high	88.2	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-41.5	174.2	-67.1	161.2	0	0	0	110.5	F342 A345 M346 F370 D371 S372 C377 L378 G379	F342-I375 HydrophobicContact CD2-CB 4.29Å; F342-I375 HydrophobicContact CD2-CG2 4.08Å; F342-I375 HydrophobicContact CE2-CB 4.04Å; F342-I375 HydrophobicContact CE2-CD1 3.86Å; F342-I375 HydrophobicContact CE2-CG2 3.89Å; A345-I375 WeakPolarHBondContact CB-O 3.41Å; M346-I375 HydrophobicContact CB-CG2 4.24Å; M346-I375 HydrophobicContact CE-CD1 3.8Å; M346-I375 HydrophobicContact CE-CG2 4.22Å; F370-I375 HydrophobicContact CB-CD1 4.33Å; F370-I375 HydrophobicContact CB-CG1 4.16Å; F370-I375 WeakPolarHBondContact O-CD1 3.35Å; D371-I375 PolarHBondContact O-N 3.26Å; D371-I375 VanDerWaalsContact O-N 3.09Å; S372-I375 PolarHBondContact O-N 3.06Å; I375-C377 PolarHBondContact O-N 2.86Å; I375-L378 PolarHBondContact O-N 2.72Å; I375-L378 VanDerWaalsContact O-N 3.09Å; I375-G379 PolarHBondContact O-N 3.23Å; I375-G379 VanDerWaalsContact O-N 3.08Å
376	C	93.9	Very high	89.6	Confident	8 Å²	8	24 Å²	24	5%	0.054	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-27.3	172.8	-65.4	0	0	0	0	113.6	S252 F340 S372 V374 P380	S252-C376 WeakPolarHBondContact OG-CB 3.37Å; F340-C376 VanDerWaalsContact CD1-O 3.26Å; F340-C376 WeakPolarHBondContact CD1-O 3.47Å; F340-C376 VanDerWaalsContact O-CB 3.28Å; F340-C376 WeakPolarHBondContact O-CB 3.47Å; F340-C376 PolarHBondContact O-SG 3.08Å; S372-C376 PolarHBondContact O-N 3.26Å; S372-C376 PolarHBondContact O-SG 3.47Å; V374-C376 VanDerWaalsContact C-N 3.35Å; C376-P380 WeakPolarHBondContact O-CD 3.38Å; C376-P380 WeakPolarHBondContact O-CG 3.35Å
377	C	94.6	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-80.1	-42.6	170.3	-63.4	0	0	0	0	112.3	C250 S252 G265 V267 P373 V374 I375 L381	C250-C377 HydrophobicContact CB-CB 4.09Å; C250-C377 PolarHBondContact SG-O 3.37Å; S252-C377 WeakPolarHBondContact CB-SG 3.39Å; S252-C377 PolarHBondContact N-SG 3.49Å; G265-C377 VanDerWaalsContact C-SG 3.57Å; G265-C377 PolarHBondContact O-SG 3.06Å; V267-C377 HydrophobicContact CB-CB 4.02Å; V267-C377 HydrophobicContact CG2-CB 3.62Å; P373-C377 PolarHBondContact O-N 3.3Å; P373-C377 VanDerWaalsContact O-N 3.15Å; P373-C377 PolarHBondContact O-SG 2.82Å; V374-C377 WeakPolarHBondContact O-CB 3.19Å; V374-C377 PolarHBondContact O-N 3.4Å; V374-C377 VanDerWaalsContact O-N 3.14Å; I375-C377 PolarHBondContact O-N 2.86Å; C377-L381 WeakPolarHBondContact O-CB 3.24Å; C377-L381 PolarHBondContact O-N 3.32Å; C377-L381 VanDerWaalsContact O-N 3.14Å
378	L	93.6	Very high	91.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-37.9	-170.5	-175.1	61.4	0	0	0	112.7	V349 V367 V374 I375 L381 I382 L394 F400	V349-L378 HydrophobicContact CG2-CB 4.3Å; V349-L378 HydrophobicContact CG2-CD2 4.01Å; V349-L378 HydrophobicContact CG2-CG 3.99Å; V367-L378 HydrophobicContact CG1-CD2 3.65Å; V374-L378 WeakPolarHBondContact O-CB 3.19Å; V374-L378 PolarHBondContact O-N 2.87Å; I375-L378 PolarHBondContact O-N 2.72Å; I375-L378 VanDerWaalsContact O-N 3.09Å; L378-L381 PolarHBondContact O-N 2.7Å; L378-I382 HydrophobicContact CD1-CD1 4.21Å; L378-I382 HydrophobicContact CD1-CG1 4.25Å; L378-I382 HydrophobicContact CG-CD1 3.91Å; L378-I382 HydrophobicContact CG-CG1 4.41Å; L378-I382 VanDerWaalsContact O-CG1 3.26Å; L378-I382 WeakPolarHBondContact O-CG1 3.42Å; L378-I382 PolarHBondContact O-N 3.32Å; L378-L394 HydrophobicContact CD1-CD1 4.08Å; L378-L394 HydrophobicContact CD1-CD2 4.29Å; L378-F400 HydrophobicContact CD1-CE1 4.21Å
379	G	93.1	Very high	92.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-59.6	177.7	0	0	0	0	0	113.6	I375 L381 I382 Q383	I375-G379 PolarHBondContact O-N 3.23Å; I375-G379 VanDerWaalsContact O-N 3.08Å; G379-L381 VanDerWaalsContact C-N 3.28Å; G379-L381 PolarHBondContact O-N 3.43Å; G379-I382 PolarHBondContact O-N 3.47Å; G379-Q383 WeakPolarHBondContact O-CG 3.43Å; G379-Q383 PolarHBondContact O-N 3.14Å
380	P	94.7	Very high	92.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-58	-37.1	173.5	-25.9	34.6	0	0	0	113.3	E339 F340 C376 Q383 Y384	E339-P380 HydrophobicContact CB-CB 4.39Å; E339-P380 HydrophobicContact CB-CG 4.01Å; E339-P380 WeakPolarHBondContact O-CG 3.21Å; F340-P380 HydrophobicContact CB-CG 4.48Å; F340-P380 HydrophobicContact CD1-CG 3.86Å; F340-P380 HydrophobicContact CD2-CB 4.35Å; F340-P380 HydrophobicContact CD2-CG 3.81Å; F340-P380 HydrophobicContact CE1-CB 4.18Å; F340-P380 HydrophobicContact CE1-CG 3.96Å; F340-P380 HydrophobicContact CE2-CB 3.94Å; F340-P380 HydrophobicContact CE2-CG 3.9Å; F340-P380 HydrophobicContact CG-CG 3.78Å; F340-P380 HydrophobicContact CZ-CB 3.85Å; F340-P380 HydrophobicContact CZ-CG 3.98Å; C376-P380 WeakPolarHBondContact O-CD 3.38Å; C376-P380 WeakPolarHBondContact O-CG 3.35Å; P380-Q383 PolarHBondContact O-N 3.33Å; P380-Y384 WeakPolarHBondContact O-CB 3.4Å; P380-Y384 PolarHBondContact O-N 2.93Å
381	L	95	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.9	-36.9	179.6	-176.2	60.4	0	0	0	112.9	L248 C250 V267 V269 L303 C377 L378 G379 L385	L248-L381 HydrophobicContact CD2-CD1 3.46Å; L248-L381 VanDerWaalsContact CD2-CD1 3.46Å; L248-L381 HydrophobicContact CG-CD1 3.98Å; C250-L381 HydrophobicContact CB-CB 4.25Å; C250-L381 HydrophobicContact CB-CD1 4.38Å; C250-L381 HydrophobicContact CB-CD2 4.1Å; C250-L381 HydrophobicContact CB-CG 4.49Å; V267-L381 HydrophobicContact CB-CD2 3.95Å; V267-L381 HydrophobicContact CG1-CD2 3.5Å; V267-L381 VanDerWaalsContact CG1-CD2 3.5Å; V269-L381 HydrophobicContact CG2-CD2 3.77Å; L303-L381 HydrophobicContact CD2-CB 4.44Å; L303-L381 HydrophobicContact CD2-CD1 4.17Å; C377-L381 WeakPolarHBondContact O-CB 3.24Å; C377-L381 PolarHBondContact O-N 3.32Å; C377-L381 VanDerWaalsContact O-N 3.14Å; L378-L381 PolarHBondContact O-N 2.7Å; G379-L381 VanDerWaalsContact C-N 3.28Å; G379-L381 PolarHBondContact O-N 3.43Å; L381-L385 HydrophobicContact CD1-CD1 4.25Å; L381-L385 HydrophobicContact CD1-CG 4.32Å; L381-L385 HydrophobicContact CG-CD1 4.25Å; L381-L385 WeakPolarHBondContact O-CB 3.39Å; L381-L385 WeakPolarHBondContact O-CG 3.34Å; L381-L385 PolarHBondContact O-N 2.81Å
382	I	94.4	Very high	93.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-47.5	170.5	-72.6	164	0	0	0	110	V349 F352 L378 G379 Y384 L385 Q386 L394	V349-I382 HydrophobicContact CG2-CD1 3.93Å; F352-I382 HydrophobicContact CB-CD1 4.24Å; F352-I382 HydrophobicContact CB-CG2 4.05Å; F352-I382 HydrophobicContact CD1-CD1 3.81Å; F352-I382 HydrophobicContact CD1-CG1 4.29Å; F352-I382 HydrophobicContact CD1-CG2 4.38Å; F352-I382 HydrophobicContact CD2-CG2 3.99Å; F352-I382 HydrophobicContact CE1-CD1 4.48Å; F352-I382 HydrophobicContact CG-CD1 4.19Å; F352-I382 HydrophobicContact CG-CG2 3.89Å; L378-I382 HydrophobicContact CD1-CD1 4.21Å; L378-I382 HydrophobicContact CD1-CG1 4.25Å; L378-I382 HydrophobicContact CG-CD1 3.91Å; L378-I382 HydrophobicContact CG-CG1 4.41Å; L378-I382 VanDerWaalsContact O-CG1 3.26Å; L378-I382 WeakPolarHBondContact O-CG1 3.42Å; L378-I382 PolarHBondContact O-N 3.32Å; G379-I382 PolarHBondContact O-N 3.47Å; I382-Y384 VanDerWaalsContact C-N 3.35Å; I382-Y384 PolarHBondContact O-N 3.43Å; I382-L385 PolarHBondContact O-N 2.86Å; I382-Q386 VanDerWaalsContact CG2-NE2 3.3Å; I382-Q386 WeakPolarHBondContact O-CB 3.47Å; I382-Q386 VanDerWaalsContact O-CG 3.26Å; I382-Q386 WeakPolarHBondContact O-CG 3.31Å; I382-Q386 PolarHBondContact O-N 2.8Å; I382-L394 HydrophobicContact CB-CD1 4.49Å; I382-L394 HydrophobicContact CG1-CD1 3.52Å
383	Q	94.3	Very high	93	Very high	59 Å²	59	20.6 Å²	20.6	28%	0.276	10%	0.1	S	C	.	.	H	α-helix	trans	-61.7	-43.3	179.2	-66.5	178.5	12.9	0	0	111.4	A348 G379 P380 Q386 E387	A348-Q383 HydrophobicContact CB-CG 4.41Å; G379-Q383 WeakPolarHBondContact O-CG 3.43Å; G379-Q383 PolarHBondContact O-N 3.14Å; P380-Q383 PolarHBondContact O-N 3.33Å; Q383-Q386 WeakPolarHBondContact O-CB 3.12Å; Q383-Q386 PolarHBondContact O-N 3.35Å; Q383-E387 PolarHBondContact O-N 3.36Å
384	Y	95.2	Very high	92.9	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-59.9	-53.7	175.6	-166.4	-110.8	0	0	0	111.4	L248 E301 L303 E333 P380 I382 Q386 E387 F388	L248-Y384 HydrophobicContact CD1-CE1 4.27Å; L248-Y384 HydrophobicContact CD2-CD1 3.67Å; L248-Y384 HydrophobicContact CD2-CE1 3.9Å; E301-Y384 PolarHBondContact OE1-OH 3.2Å; E301-Y384 VanDerWaalsContact OE1-OH 3.07Å; L303-Y384 HydrophobicContact CD1-CD2 4.39Å; L303-Y384 HydrophobicContact CD2-CG 4.22Å; E333-Y384 HydrophobicContact CG-CD2 4.44Å; E333-Y384 HydrophobicContact CG-CE2 3.7Å; E333-Y384 WeakPolarHBondContact OE1-CE2 3.46Å; P380-Y384 WeakPolarHBondContact O-CB 3.4Å; P380-Y384 PolarHBondContact O-N 2.93Å; I382-Y384 VanDerWaalsContact C-N 3.35Å; I382-Y384 PolarHBondContact O-N 3.43Å; Y384-Q386 PolarHBondContact O-N 3.49Å; Y384-E387 WeakPolarHBondContact O-CB 3.28Å; Y384-E387 PolarHBondContact O-N 3.26Å; Y384-F388 HydrophobicContact CD1-CD2 4.42Å; Y384-F388 AromaticContact CD1-CE2 3.89Å; Y384-F388 HydrophobicContact CD1-CE2 3.89Å; Y384-F388 HydrophobicContact CD2-CE2 4.27Å; Y384-F388 HydrophobicContact CE1-CD2 4.38Å; Y384-F388 AromaticContact CE1-CE2 3.52Å; Y384-F388 HydrophobicContact CE1-CE2 3.52Å; Y384-F388 HydrophobicContact CE1-CZ 4.06Å; Y384-F388 AromaticContact CE2-CE2 3.91Å; Y384-F388 HydrophobicContact CE2-CE2 3.91Å; Y384-F388 HydrophobicContact CE2-CZ 4.42Å; Y384-F388 HydrophobicContact CG-CE2 4.27Å; Y384-F388 AromaticContact CZ-CE2 3.55Å; Y384-F388 AromaticContact CZ-CZ 3.84Å; Y384-F388 VanDerWaalsContact O-CD2 3.24Å; Y384-F388 WeakPolarHBondContact O-CD2 3.33Å
385	L	94.6	Very high	92.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-23	-178.7	-69.1	173.2	0	0	0	113.6	L248 V269 P271 L381 I382 F388 N389 L390 E391 L394	L248-L385 HydrophobicContact CD2-CD2 4.1Å; V269-L385 HydrophobicContact CG1-CD1 4.25Å; P271-L385 HydrophobicContact CG-CD2 4.06Å; L381-L385 HydrophobicContact CD1-CD1 4.25Å; L381-L385 HydrophobicContact CD1-CG 4.32Å; L381-L385 HydrophobicContact CG-CD1 4.25Å; L381-L385 WeakPolarHBondContact O-CB 3.39Å; L381-L385 WeakPolarHBondContact O-CG 3.34Å; L381-L385 PolarHBondContact O-N 2.81Å; I382-L385 PolarHBondContact O-N 2.86Å; L385-F388 PolarHBondContact O-N 2.83Å; L385-N389 PolarHBondContact O-N 3.24Å; L385-N389 VanDerWaalsContact O-N 3.13Å; L385-L390 HydrophobicContact CD2-CB 4.17Å; L385-L390 PolarHBondContact O-N 2.97Å; L385-E391 HydrophobicContact CB-CB 4.21Å; L385-L394 HydrophobicContact CD1-CD1 3.95Å; L385-L394 HydrophobicContact CD1-CG 4.38Å
386	Q	93.7	Very high	91.6	Very high	87 Å²	87	26 Å²	26	41%	0.407	12%	0.122	S	C	.	.	H	α-helix	trans	-66.7	-34.6	171	-77.9	171	5.6	0	0	112.5	I382 Q383 Y384 F388 N389 E391	I382-Q386 VanDerWaalsContact CG2-NE2 3.3Å; I382-Q386 WeakPolarHBondContact O-CB 3.47Å; I382-Q386 VanDerWaalsContact O-CG 3.26Å; I382-Q386 WeakPolarHBondContact O-CG 3.31Å; I382-Q386 PolarHBondContact O-N 2.8Å; Q383-Q386 WeakPolarHBondContact O-CB 3.12Å; Q383-Q386 PolarHBondContact O-N 3.35Å; Y384-Q386 PolarHBondContact O-N 3.49Å; Q386-F388 PolarHBondContact O-N 3.06Å; Q386-N389 PolarHBondContact O-N 3.17Å; Q386-N389 VanDerWaalsContact O-N 3.1Å; Q386-E391 HydrophobicContact CG-CB 3.87Å; Q386-E391 HydrophobicContact CG-CG 3.84Å
387	E	93.1	Very high	90.4	Very high	76 Å²	76	29.2 Å²	29.2	36%	0.355	14%	0.136	S	C	.	.	H	α-helix	trans	-59.2	-34.3	173.7	-62.3	177.2	-178.4	0	0	111.6	L211 R335 Q383 Y384	L211-E387 HydrophobicContact CD1-CB 4.09Å; R335-E387 IonicContact CZ-OE1 3.49Å; R335-E387 VanDerWaalsContact CZ-OE1 3.28Å; R335-E387 IonicContact CZ-OE2 3.94Å; R335-E387 IonicContact NH1-OE1 3.05Å; R335-E387 PolarHBondContact NH1-OE1 2.92Å; R335-E387 IonicContact NH1-OE2 3.84Å; R335-E387 VanDerWaalsContact NH2-CD 3.31Å; R335-E387 IonicContact NH2-OE1 2.92Å; R335-E387 PolarHBondContact NH2-OE1 3.27Å; R335-E387 IonicContact NH2-OE2 3.84Å; R335-E387 PolarHBondContact NH2-OE2 2.67Å; Q383-E387 PolarHBondContact O-N 3.36Å; Y384-E387 WeakPolarHBondContact O-CB 3.28Å; Y384-E387 PolarHBondContact O-N 3.26Å
388	F	93.5	Very high	89.1	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-88.4	-10.7	178.6	-61.2	-94.8	0	0	0	113.4	L211 T213 T216 Y384 L385 Q386 L390 K507	L211-F388 HydrophobicContact CB-CD1 3.54Å; L211-F388 HydrophobicContact CB-CE1 3.52Å; L211-F388 HydrophobicContact CB-CG 4.35Å; L211-F388 HydrophobicContact CB-CZ 4.32Å; L211-F388 WeakPolarHBondContact O-CD1 3.35Å; T213-F388 HydrophobicContact CG2-CE1 3.92Å; T213-F388 HydrophobicContact CG2-CZ 3.77Å; T216-F388 HydrophobicContact CG2-CD1 3.69Å; T216-F388 HydrophobicContact CG2-CD2 4.16Å; T216-F388 HydrophobicContact CG2-CE1 3.88Å; T216-F388 HydrophobicContact CG2-CE2 4.35Å; T216-F388 HydrophobicContact CG2-CG 3.85Å; T216-F388 HydrophobicContact CG2-CZ 4.22Å; T216-F388 WeakPolarHBondContact OG1-CD1 3.07Å; T216-F388 WeakPolarHBondContact OG1-CE1 2.99Å; Y384-F388 HydrophobicContact CD1-CD2 4.42Å; Y384-F388 AromaticContact CD1-CE2 3.89Å; Y384-F388 HydrophobicContact CD1-CE2 3.89Å; Y384-F388 HydrophobicContact CD2-CE2 4.27Å; Y384-F388 HydrophobicContact CE1-CD2 4.38Å; Y384-F388 AromaticContact CE1-CE2 3.52Å; Y384-F388 HydrophobicContact CE1-CE2 3.52Å; Y384-F388 HydrophobicContact CE1-CZ 4.06Å; Y384-F388 AromaticContact CE2-CE2 3.91Å; Y384-F388 HydrophobicContact CE2-CE2 3.91Å; Y384-F388 HydrophobicContact CE2-CZ 4.42Å; Y384-F388 HydrophobicContact CG-CE2 4.27Å; Y384-F388 AromaticContact CZ-CE2 3.55Å; Y384-F388 AromaticContact CZ-CZ 3.84Å; Y384-F388 VanDerWaalsContact O-CD2 3.24Å; Y384-F388 WeakPolarHBondContact O-CD2 3.33Å; L385-F388 PolarHBondContact O-N 2.83Å; Q386-F388 PolarHBondContact O-N 3.06Å; F388-L390 HydrophobicContact CB-CB 4.26Å; F388-L390 HydrophobicContact CB-CD1 3.71Å; F388-L390 HydrophobicContact CB-CG 3.85Å; F388-L390 HydrophobicContact CG-CD1 4.45Å; F388-K507 PolarHBondContact O-NZ 2.75Å
389	N	92.4	Very high	88.1	Confident	102 Å²	102	34.3 Å²	34.3	55%	0.545	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	57.2	-164.2	-57	-104.3	0	0	0	110.9	L385 Q386 K507	L385-N389 PolarHBondContact O-N 3.24Å; L385-N389 VanDerWaalsContact O-N 3.13Å; Q386-N389 PolarHBondContact O-N 3.17Å; Q386-N389 VanDerWaalsContact O-N 3.1Å; N389-K507 VanDerWaalsContact O-CE 3.27Å; N389-K507 WeakPolarHBondContact O-CE 3.43Å; N389-K507 PolarHBondContact O-NZ 3.31Å; N389-K507 VanDerWaalsContact O-NZ 3.14Å
390	L	93	Very high	87.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.177	C	C	.	.			trans	-131.3	8.9	178.4	-66.9	175.7	0	0	0	112.3	T216 V218 P271 L385 F388 R392 H505 K507	T216-L390 HydrophobicContact CG2-CD1 3.85Å; V218-L390 HydrophobicContact CB-CD2 4.04Å; V218-L390 HydrophobicContact CG1-CD2 4.1Å; V218-L390 HydrophobicContact CG2-CD2 4.4Å; P271-L390 HydrophobicContact CB-CD1 3.97Å; L385-L390 HydrophobicContact CD2-CB 4.17Å; L385-L390 PolarHBondContact O-N 2.97Å; F388-L390 HydrophobicContact CB-CB 4.26Å; F388-L390 HydrophobicContact CB-CD1 3.71Å; F388-L390 HydrophobicContact CB-CG 3.85Å; F388-L390 HydrophobicContact CG-CD1 4.45Å; L390-R392 PolarHBondContact O-N 2.82Å; L390-H505 HydrophobicContact CD2-CB 4.26Å; L390-H505 PolarHBondContact O-CE1 2.83Å; L390-K507 HydrophobicContact CD2-CD 4.24Å; L390-K507 VanDerWaalsContact CD2-NZ 3.26Å
391	E	90.8	Very high	87.1	Confident	26 Å²	26	39.6 Å²	39.6	12%	0.121	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-69.9	-16	-175.4	81.4	-57.1	143.9	0	0	113.6	F352 L385 Q386 V393 L394 R395	F352-E391 HydrophobicContact CE2-CB 4.19Å; F352-E391 HydrophobicContact CE2-CG 3.59Å; F352-E391 HydrophobicContact CZ-CB 4.4Å; F352-E391 HydrophobicContact CZ-CG 4.11Å; L385-E391 HydrophobicContact CB-CB 4.21Å; Q386-E391 HydrophobicContact CG-CB 3.87Å; Q386-E391 HydrophobicContact CG-CG 3.84Å; E391-V393 PolarHBondContact O-N 3.09Å; E391-V393 VanDerWaalsContact O-N 3.11Å; E391-L394 PolarHBondContact O-N 3.34Å; E391-R395 IonicContact OE1-NH2 2.71Å; E391-R395 PolarHBondContact OE1-NH2 3.43Å
392	R	88.3	Confident	86.6	Confident	49 Å²	49	44.5 Å²	44.5	19%	0.185	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.1	-36.1	-178.9	-68.6	-172.6	172.9	-153.9	-5.2	113.5	L390 L394 R395 Y504 D687	L390-R392 PolarHBondContact O-N 2.82Å; R392-L394 PolarHBondContact O-N 3.45Å; R392-R395 WeakPolarHBondContact O-CB 3.44Å; R392-R395 WeakPolarHBondContact O-CG 3.35Å; R392-R395 PolarHBondContact O-N 3.19Å; R392-R395 VanDerWaalsContact O-N 3.11Å; R392-Y504 HydrophobicContact CB-CD1 4.21Å; R392-Y504 HydrophobicContact CB-CE1 3.65Å; R392-Y504 WeakPolarHBondContact CD-O 3.48Å; R392-Y504 PolarHBondContact NH1-O 2.69Å; R392-Y504 PolarHBondContact O-OH 2.69Å; R392-D687 IonicContact CZ-OD1 3.66Å; R392-D687 IonicContact NH1-OD1 2.71Å; R392-D687 PolarHBondContact NH1-OD1 2.98Å; R392-D687 IonicContact NH2-OD1 2.75Å; R392-D687 PolarHBondContact NH2-OD1 3.41Å; R392-D687 IonicContact NH2-OD2 2.73Å
393	V	87.6	Confident	85.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.6	178.6	168.5	0	0	0	0	112.6	V269 V276 E391 R395	V269-V393 HydrophobicContact CG1-CG1 4.24Å; V276-V393 HydrophobicContact CG2-CG1 3.48Å; V276-V393 VanDerWaalsContact CG2-CG1 3.48Å; E391-V393 PolarHBondContact O-N 3.09Å; E391-V393 VanDerWaalsContact O-N 3.11Å; V393-R395 VanDerWaalsContact C-N 3.32Å; V393-R395 PolarHBondContact O-N 3.28Å
394	L	88.5	Confident	84.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-80.9	-5.9	-177.4	-62.1	178.9	0	0	0	113.7	V269 V276 F352 Y353 L378 I382 L385 E391 R392 N396 F400	V269-L394 HydrophobicContact CG2-CD2 3.93Å; V276-L394 HydrophobicContact CG1-CD2 4.02Å; V276-L394 HydrophobicContact CG2-CD2 4.02Å; F352-L394 HydrophobicContact CE1-CB 3.97Å; F352-L394 HydrophobicContact CZ-CB 4.32Å; Y353-L394 WeakPolarHBondContact CE1-O 3.21Å; Y353-L394 PolarHBondContact OH-O 2.63Å; L378-L394 HydrophobicContact CD1-CD1 4.08Å; L378-L394 HydrophobicContact CD1-CD2 4.29Å; I382-L394 HydrophobicContact CB-CD1 4.49Å; I382-L394 HydrophobicContact CG1-CD1 3.52Å; L385-L394 HydrophobicContact CD1-CD1 3.95Å; L385-L394 HydrophobicContact CD1-CG 4.38Å; E391-L394 PolarHBondContact O-N 3.34Å; R392-L394 PolarHBondContact O-N 3.45Å; L394-N396 PolarHBondContact O-N 3.23Å; L394-F400 HydrophobicContact CB-CZ 4.37Å; L394-F400 HydrophobicContact CD2-CE1 4.29Å; L394-F400 HydrophobicContact CD2-CZ 3.84Å
395	R	83.6	Confident	82.9	Confident	82 Å²	82	47.8 Å²	47.8	31%	0.309	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-66.4	-33.3	-173.5	-68.8	178.9	-176	-166.7	3.5	114.1	F352 E391 R392 V393	F352-R395 HydrophobicContact CE1-CG 4.42Å; F352-R395 HydrophobicContact CZ-CG 3.82Å; E391-R395 IonicContact OE1-NH2 2.71Å; E391-R395 PolarHBondContact OE1-NH2 3.43Å; R392-R395 WeakPolarHBondContact O-CB 3.44Å; R392-R395 WeakPolarHBondContact O-CG 3.35Å; R392-R395 PolarHBondContact O-N 3.19Å; R392-R395 VanDerWaalsContact O-N 3.11Å; V393-R395 VanDerWaalsContact C-N 3.32Å; V393-R395 PolarHBondContact O-N 3.28Å
396	N	76.4	Confident	80.5	Confident	48 Å²	48	57.7 Å²	57.7	26%	0.257	29%	0.289	S	S	.	.			trans	-112.8	112.2	-172.7	-176.7	-8	0	0	0	111.8	L394 S398 S399 H694	L394-N396 PolarHBondContact O-N 3.23Å; N396-S398 VanDerWaalsContact CG-OG 3.22Å; N396-S398 PolarHBondContact ND2-OG 3.31Å; N396-S398 PolarHBondContact O-N 3.18Å; N396-S398 VanDerWaalsContact O-N 3.16Å; N396-S398 PolarHBondContact OD1-N 2.87Å; N396-S398 PolarHBondContact OD1-OG 2.82Å; N396-S399 VanDerWaalsContact O-CB 3.3Å; N396-S399 WeakPolarHBondContact O-CB 3.3Å; N396-S399 PolarHBondContact O-N 3.45Å; N396-S399 PolarHBondContact O-OG 3.24Å; N396-H694 PolarHBondContact ND2-CD2 2.76Å; N396-H694 VanDerWaalsContact ND2-CD2 3.29Å; N396-H694 PolarHBondContact ND2-CE1 3.44Å; N396-H694 PolarHBondContact ND2-NE2 3.47Å
397	E	68.5	Low	78.4	Confident	74 Å²	74	58.5 Å²	58.5	35%	0.346	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-49.6	-37.1	178.5	-170.1	-161.5	161.7	0	0	113.6	S366 S399 F400	S366-E397 VanDerWaalsContact CB-OE1 3.24Å; S366-E397 WeakPolarHBondContact CB-OE1 3.42Å; S366-E397 WeakPolarHBondContact CB-OE2 3.46Å; S366-E397 PolarHBondContact OG-OE1 3.4Å; S366-E397 PolarHBondContact OG-OE2 2.94Å; E397-S399 PolarHBondContact O-N 2.89Å; E397-F400 WeakPolarHBondContact O-CB 3.28Å; E397-F400 WeakPolarHBondContact O-CD2 3.41Å; E397-F400 PolarHBondContact O-N 3.48Å
398	S	66.5	Low	76.9	Confident	94 Å²	94	56.3 Å²	56.3	66%	0.657	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-64	-4.3	179.9	64.2	0	0	0	0	114.9	N396	N396-S398 VanDerWaalsContact CG-OG 3.22Å; N396-S398 PolarHBondContact ND2-OG 3.31Å; N396-S398 PolarHBondContact O-N 3.18Å; N396-S398 VanDerWaalsContact O-N 3.16Å; N396-S398 PolarHBondContact OD1-N 2.87Å; N396-S398 PolarHBondContact OD1-OG 2.82Å
399	S	72.6	Confident	76.2	Confident	14 Å²	14	57.1 Å²	57.1	10%	0.098	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-88.4	-17.8	172	-37.1	0	0	0	0	113.1	N396 E397 H694	N396-S399 VanDerWaalsContact O-CB 3.3Å; N396-S399 WeakPolarHBondContact O-CB 3.3Å; N396-S399 PolarHBondContact O-N 3.45Å; N396-S399 PolarHBondContact O-OG 3.24Å; E397-S399 PolarHBondContact O-N 2.89Å; S399-H694 PolarHBondContact OG-CE1 2.88Å
400	F	84.2	Confident	76.1	Confident	25 Å²	25	52.5 Å²	52.5	11%	0.11	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.2	-176.4	-68.7	-115.9	0	0	0	110.7	V276 L278 F370 L378 L394 E397	V276-F400 HydrophobicContact CB-CD1 4.39Å; V276-F400 HydrophobicContact CB-CG 4.27Å; V276-F400 HydrophobicContact CG1-CD1 3.47Å; V276-F400 VanDerWaalsContact CG1-CD1 3.47Å; V276-F400 HydrophobicContact CG1-CD2 4.3Å; V276-F400 HydrophobicContact CG1-CE1 3.67Å; V276-F400 HydrophobicContact CG1-CE2 4.46Å; V276-F400 HydrophobicContact CG1-CG 3.83Å; V276-F400 HydrophobicContact CG1-CZ 4.18Å; V276-F400 CarbonylContact O-C 3.52Å; V276-F400 WeakPolarHBondContact O-CA 3.26Å; L278-F400 HydrophobicContact CD2-CB 4.49Å; L278-F400 HydrophobicContact CD2-CD1 3.77Å; L278-F400 HydrophobicContact CG-CD1 4.3Å; F370-F400 HydrophobicContact CE2-CD1 4.3Å; F370-F400 HydrophobicContact CE2-CE1 4.45Å; L378-F400 HydrophobicContact CD1-CE1 4.21Å; L394-F400 HydrophobicContact CB-CZ 4.37Å; L394-F400 HydrophobicContact CD2-CE1 4.29Å; L394-F400 HydrophobicContact CD2-CZ 3.84Å; E397-F400 WeakPolarHBondContact O-CB 3.28Å; E397-F400 WeakPolarHBondContact O-CD2 3.41Å; E397-F400 PolarHBondContact O-N 3.48Å
401	R	83.8	Confident	75.9	Confident	88 Å²	88	57.8 Å²	57.8	33%	0.332	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.8	-175.8	-66.2	168.6	172.4	168.7	-2.6	110.7	D275 V276 F277 L278	D275-R401 IonicContact OD1-CZ 2.69Å; D275-R401 IonicContact OD1-NH1 2.63Å; D275-R401 PolarHBondContact OD1-NH1 2.65Å; D275-R401 IonicContact OD2-CZ 3.41Å; D275-R401 IonicContact OD2-NH1 3.46Å; D275-R401 PolarHBondContact OD2-NH1 2.94Å; V276-R401 PolarHBondContact O-N 3.48Å; F277-R401 VanDerWaalsContact CA-O 3.3Å; F277-R401 WeakPolarHBondContact CA-O 3.37Å; F277-R401 HydrophobicContact CD1-CB 3.74Å; F277-R401 HydrophobicContact CE1-CB 3.86Å; F277-R401 HydrophobicContact CE1-CG 4.49Å; L278-R401 PolarHBondContact N-O 3.27Å
402	H	84.7	Confident	75.9	Confident	103 Å²	103	56.6 Å²	56.6	48%	0.477	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.4	172.2	-74.6	-98.7	0	0	0	111.2	L278	L278-H402 HydrophobicContact CD1-CB 4.34Å; L278-H402 WeakPolarHBondContact CD1-ND1 3.33Å; L278-H402 WeakPolarHBondContact O-CA 3.16Å
403	L	79	Confident	75.7	Confident	26 Å²	26	55.8 Å²	55.8	14%	0.136	31%	0.305	C	S	.	.	S	Bend	trans	-75.2	-34.9	177.4	-70.1	165.2	0	0	0	113.2	V266 F277 L278 D279 I297	V266-L403 HydrophobicContact CG2-CD1 4.47Å; F277-L403 HydrophobicContact CB-CD1 4.05Å; F277-L403 HydrophobicContact CB-CD2 3.85Å; F277-L403 HydrophobicContact CB-CG 3.86Å; F277-L403 HydrophobicContact CD1-CD2 3.72Å; F277-L403 HydrophobicContact CD1-CG 4.31Å; F277-L403 HydrophobicContact CE1-CD2 4.45Å; F277-L403 HydrophobicContact CG-CD2 3.78Å; F277-L403 HydrophobicContact CG-CG 4.31Å; L278-L403 PolarHBondContact O-N 3.44Å; D279-L403 HydrophobicContact CB-CB 4.12Å; D279-L403 HydrophobicContact CB-CD1 4.16Å; I297-L403 HydrophobicContact CD1-CD1 3.78Å; I297-L403 HydrophobicContact CG1-CD1 4.32Å
404	S	68.4	Low	75.6	Confident	53 Å²	53	55.9 Å²	55.9	37%	0.371	31%	0.307	S	S	.	.	S	Bend	trans	-100.5	-0.3	-172.2	57.4	0	0	0	0	115	D279 E406	D279-S404 VanDerWaalsContact CG-OG 3.25Å; D279-S404 VanDerWaalsContact OD1-CB 3.25Å; D279-S404 WeakPolarHBondContact OD1-CB 3.37Å; D279-S404 PolarHBondContact OD1-OG 2.76Å; D279-S404 VanDerWaalsContact OD2-CB 3.3Å; D279-S404 WeakPolarHBondContact OD2-CB 3.13Å; D279-S404 PolarHBondContact OD2-OG 3Å; S404-E406 PolarHBondContact O-N 2.71Å
405	S	56.9	Low	75.5	Confident	51 Å²	51	56.5 Å²	56.5	36%	0.357	31%	0.311	S	S	.	.			trans	-41.6	127	-167.5	-167.6	0	0	0	0	112.7	S407 G408	S405-S407 PolarHBondContact O-N 2.59Å; S405-G408 PolarHBondContact O-N 3.2Å
406	E	46	Very low	75.8	Confident	209 Å²	209	52.6 Å²	52.6	98%	0.977	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.8	-166.4	-59.4	-172.4	130.1	0	0	114.3	S404	S404-E406 PolarHBondContact O-N 2.71Å
407	S	48.4	Very low	76.5	Confident	103 Å²	103	50.7 Å²	50.7	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.5	175.3	51.5	0	0	0	0	114.6	S405	S405-S407 PolarHBondContact O-N 2.59Å
408	G	61.8	Low	77.4	Confident	30 Å²	30	51.2 Å²	51.2	31%	0.309	29%	0.285	S	S	.	.	S	Bend	trans	-90.5	-16	-160	0	0	0	0	0	118.1	S405 Q457	S405-G408 PolarHBondContact O-N 3.2Å; G408-Q457 PolarHBondContact O-NE2 3.22Å
409	G	78.5	Confident	78.6	Confident	20 Å²	20	47.2 Å²	47.2	21%	0.206	26%	0.257	C	S	.	.			trans	152.3	178.9	176.5	0	0	0	0	0	116.5	P458	G409-P458 CarbonylContact C-O 3.5Å; G409-P458 WeakPolarHBondContact CA-O 3.23Å
410	M	90.6	Very high	79.5	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.02	25%	0.253	C	S	.	.			trans	-69.9	134.7	-171.6	-174.4	171.9	63.4	0	0	112.5	L412 P458 T460 V790 L808 I811	M410-L412 HydrophobicContact CE-CD2 4.13Å; M410-L412 PolarHBondContact O-N 3.45Å; M410-P458 HydrophobicContact CB-CB 4.34Å; M410-P458 HydrophobicContact CE-CB 3.96Å; M410-P458 HydrophobicContact CE-CG 3.81Å; M410-P458 PolarHBondContact N-O 2.94Å; M410-T460 HydrophobicContact CB-CG2 4.24Å; M410-V790 HydrophobicContact CE-CG2 3.86Å; M410-L808 HydrophobicContact SD-CB 3.98Å; M410-I811 HydrophobicContact CE-CD1 3.72Å; M410-I811 HydrophobicContact CE-CG1 3.98Å; M410-I811 HydrophobicContact SD-CD1 4.07Å; M410-I811 HydrophobicContact SD-CG1 3.8Å
411	K	89.6	Confident	79.9	Confident	112 Å²	112	46.9 Å²	46.9	49%	0.487	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.7	179.3	-66.1	177.7	179.1	178	0	111.6	D809 G810 I811 Y812	K411-D809 PolarHBondContact N-O 2.93Å; K411-G810 CarbonylContact O-C 3.59Å; K411-G810 WeakPolarHBondContact O-CA 3.37Å; K411-I811 PolarHBondContact O-N 3.48Å; K411-Y812 WeakPolarHBondContact CD-OH 3.42Å
412	L	89.8	Confident	80.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.5	171.3	-61.2	174.8	0	0	0	109	R296 M410 T416 L417 I422 P458 I811	R296-L412 PolarHBondContact NH2-O 3.1Å; M410-L412 HydrophobicContact CE-CD2 4.13Å; M410-L412 PolarHBondContact O-N 3.45Å; L412-T416 HydrophobicContact CB-CG2 4.39Å; L412-T416 HydrophobicContact CD2-CG2 3.66Å; L412-L417 HydrophobicContact CB-CD2 3.97Å; L412-L417 HydrophobicContact CB-CG 4.06Å; L412-L417 HydrophobicContact CD1-CD2 3.97Å; L412-I422 HydrophobicContact CD1-CD1 4.14Å; L412-P458 HydrophobicContact CD1-CG 4.33Å; L412-I811 HydrophobicContact CD2-CB 3.94Å; L412-I811 HydrophobicContact CD2-CG1 4.35Å
413	S	85.3	Confident	80.6	Confident	32 Å²	32	38.3 Å²	38.3	22%	0.224	22%	0.218	C	C	.	.			trans	-73.6	168.6	-179.6	74.8	0	0	0	0	112.6	A415 T416 L417	S413-A415 VanDerWaalsContact C-N 3.26Å; S413-A415 PolarHBondContact O-N 2.89Å; S413-T416 PolarHBondContact O-N 2.84Å; S413-T416 VanDerWaalsContact O-N 3.15Å; S413-T416 PolarHBondContact OG-N 3.18Å; S413-T416 VanDerWaalsContact OG-N 3.14Å; S413-T416 PolarHBondContact OG-OG1 2.69Å; S413-L417 PolarHBondContact O-N 3.16Å
414	A	84.4	Confident	81.1	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-53.6	-43.4	173.4	0	0	0	0	0	112.5	E291 L295 R418	E291-A414 HydrophobicContact CB-CB 4.25Å; E291-A414 HydrophobicContact CG-CB 4.12Å; L295-A414 HydrophobicContact CD1-CB 3.83Å; A414-R418 PolarHBondContact O-N 3.07Å
415	A	85.9	Confident	82	Confident	12 Å²	12	38 Å²	38	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-49.4	174.8	0	0	0	0	0	111	S413 L417 R418 N419	S413-A415 VanDerWaalsContact C-N 3.26Å; S413-A415 PolarHBondContact O-N 2.89Å; A415-L417 PolarHBondContact O-N 3.23Å; A415-R418 PolarHBondContact O-N 3.45Å; A415-N419 WeakPolarHBondContact O-CB 3.39Å; A415-N419 PolarHBondContact O-N 3.41Å; A415-N419 PolarHBondContact O-ND2 2.77Å
416	T	90.6	Very high	83.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-46.5	179.1	-62.6	0	0	0	0	113	L412 S413 R418 N419 L420 I811 T813	L412-T416 HydrophobicContact CB-CG2 4.39Å; L412-T416 HydrophobicContact CD2-CG2 3.66Å; S413-T416 PolarHBondContact O-N 2.84Å; S413-T416 VanDerWaalsContact O-N 3.15Å; S413-T416 PolarHBondContact OG-N 3.18Å; S413-T416 VanDerWaalsContact OG-N 3.14Å; S413-T416 PolarHBondContact OG-OG1 2.69Å; T416-R418 VanDerWaalsContact C-N 3.28Å; T416-R418 PolarHBondContact O-N 3.35Å; T416-N419 PolarHBondContact O-N 3.17Å; T416-L420 HydrophobicContact CG2-CD1 3.58Å; T416-L420 HydrophobicContact CG2-CG 4.22Å; T416-L420 WeakPolarHBondContact O-CB 3.31Å; T416-L420 WeakPolarHBondContact O-CG 3.48Å; T416-L420 PolarHBondContact O-N 3.14Å; T416-L420 VanDerWaalsContact O-N 3.12Å; T416-I811 WeakPolarHBondContact CB-O 3.48Å; T416-I811 HydrophobicContact CG2-CB 4.27Å; T416-I811 HydrophobicContact CG2-CG2 4.22Å; T416-I811 WeakPolarHBondContact CG2-O 3.34Å; T416-I811 PolarHBondContact OG1-O 2.95Å; T416-T813 WeakPolarHBondContact CA-OG1 3.28Å; T416-T813 HydrophobicContact CG2-CG2 4.1Å; T416-T813 PolarHBondContact OG1-N 2.82Å; T416-T813 VanDerWaalsContact OG1-N 3.08Å
417	L	90.3	Very high	85	Confident	9 Å²	9	36.5 Å²	36.5	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-35.8	-179	-73.5	170.5	0	0	0	112.9	R296 L412 S413 A415 I422	R296-L417 HydrophobicContact CG-CD1 3.72Å; L412-L417 HydrophobicContact CB-CD2 3.97Å; L412-L417 HydrophobicContact CB-CG 4.06Å; L412-L417 HydrophobicContact CD1-CD2 3.97Å; S413-L417 PolarHBondContact O-N 3.16Å; A415-L417 PolarHBondContact O-N 3.23Å; L417-I422 HydrophobicContact CD2-CB 4.24Å; L417-I422 HydrophobicContact CD2-CD1 4.28Å; L417-I422 HydrophobicContact CD2-CG2 3.97Å; L417-I422 PolarHBondContact O-N 2.77Å; L417-I422 VanDerWaalsContact O-N 3.13Å
418	R	88.6	Confident	86.5	Confident	84 Å²	84	37.1 Å²	37.1	32%	0.317	20%	0.204	S	C	.	.	H	α-helix	trans	-79.5	-49.5	175.8	-69	-172.6	-67.7	-127.3	-1.1	112.6	E291 L295 A414 A415 T416 L420 E421 Q426	E291-R418 IonicContact OE1-CZ 2.72Å; E291-R418 IonicContact OE1-NH1 2.66Å; E291-R418 PolarHBondContact OE1-NH1 3.03Å; E291-R418 IonicContact OE1-NH2 3.84Å; E291-R418 PolarHBondContact OE1-NH2 3.3Å; L295-R418 HydrophobicContact CD1-CG 4.29Å; A414-R418 PolarHBondContact O-N 3.07Å; A415-R418 PolarHBondContact O-N 3.45Å; T416-R418 VanDerWaalsContact C-N 3.28Å; T416-R418 PolarHBondContact O-N 3.35Å; R418-L420 VanDerWaalsContact C-N 3.27Å; R418-L420 PolarHBondContact O-N 3.48Å; R418-E421 WeakPolarHBondContact O-CG 3.34Å; R418-E421 PolarHBondContact O-N 3.31Å; R418-Q426 PolarHBondContact O-NE2 3.35Å
419	N	90.7	Very high	87.3	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.059	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-26.6	-171	-70.6	-13	0	0	0	113.5	A415 T416 Q426 R783 T813 M815	A415-N419 WeakPolarHBondContact O-CB 3.39Å; A415-N419 PolarHBondContact O-N 3.41Å; A415-N419 PolarHBondContact O-ND2 2.77Å; T416-N419 PolarHBondContact O-N 3.17Å; N419-Q426 PolarHBondContact OD1-NE2 2.66Å; N419-R783 VanDerWaalsContact O-CZ 3.3Å; N419-R783 PolarHBondContact O-NE 3.46Å; N419-R783 PolarHBondContact O-NH2 3.19Å; N419-T813 WeakPolarHBondContact CB-OG1 3.26Å; N419-T813 PolarHBondContact ND2-OG1 3.09Å; N419-M815 HydrophobicContact CB-CB 4.04Å; N419-M815 HydrophobicContact CB-SD 4.43Å; N419-M815 PolarHBondContact ND2-N 2.69Å
420	L	92.3	Very high	87.5	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.6	172.3	-60.8	-177.4	0	0	0	113.1	T416 R418 I422 R783 A786 L787 I811 T813	T416-L420 HydrophobicContact CG2-CD1 3.58Å; T416-L420 HydrophobicContact CG2-CG 4.22Å; T416-L420 WeakPolarHBondContact O-CB 3.31Å; T416-L420 WeakPolarHBondContact O-CG 3.48Å; T416-L420 PolarHBondContact O-N 3.14Å; T416-L420 VanDerWaalsContact O-N 3.12Å; R418-L420 VanDerWaalsContact C-N 3.27Å; R418-L420 PolarHBondContact O-N 3.48Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 HydrophobicContact CB-CD1 3.88Å; L420-I422 HydrophobicContact CB-CG1 3.78Å; L420-I422 HydrophobicContact CD1-CD1 3.98Å; L420-I422 PolarHBondContact O-N 2.98Å; L420-R783 HydrophobicContact CD2-CB 4.31Å; L420-R783 HydrophobicContact CD2-CG 3.97Å; L420-A786 HydrophobicContact CD1-CB 3.53Å; L420-A786 HydrophobicContact CD2-CB 3.75Å; L420-A786 HydrophobicContact CG-CB 4.32Å; L420-L787 HydrophobicContact CB-CD2 4.26Å; L420-I811 HydrophobicContact CD1-CG2 4.27Å; L420-T813 HydrophobicContact CD1-CG2 4.11Å; L420-T813 HydrophobicContact CD2-CG2 4.03Å; L420-T813 HydrophobicContact CG-CG2 3.98Å
421	E	92.8	Very high	87.3	Confident	30 Å²	30	41 Å²	41	14%	0.14	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	49.6	179.8	-61.6	-178.6	106.4	0	0	112	R418 N424 N425 Q426 S434 L435 R783	R418-E421 WeakPolarHBondContact O-CG 3.34Å; R418-E421 PolarHBondContact O-N 3.31Å; E421-N424 WeakPolarHBondContact CA-O 3.46Å; E421-N425 VanDerWaalsContact OE1-CA 3.29Å; E421-N425 WeakPolarHBondContact OE1-CA 3.31Å; E421-N425 WeakPolarHBondContact OE1-CB 3.49Å; E421-Q426 HydrophobicContact CG-CG 4.08Å; E421-Q426 PolarHBondContact OE1-N 2.59Å; E421-S434 CarbonylContact O-C 3.59Å; E421-S434 WeakPolarHBondContact O-CA 3.29Å; E421-S434 WeakPolarHBondContact O-CB 3.31Å; E421-L435 PolarHBondContact O-N 3.1Å; E421-R783 IonicContact OE2-CZ 3.62Å; E421-R783 IonicContact OE2-NH1 3.18Å; E421-R783 PolarHBondContact OE2-NH1 3.48Å; E421-R783 IonicContact OE2-NH2 2.67Å; E421-R783 PolarHBondContact OE2-NH2 3.37Å
422	I	93.2	Very high	87.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-75.6	-40.6	-170.1	-76.5	173.5	0	0	0	112.3	L412 L417 L420 L436 V455 L787 V790	L412-I422 HydrophobicContact CD1-CD1 4.14Å; L417-I422 HydrophobicContact CD2-CB 4.24Å; L417-I422 HydrophobicContact CD2-CD1 4.28Å; L417-I422 HydrophobicContact CD2-CG2 3.97Å; L417-I422 PolarHBondContact O-N 2.77Å; L417-I422 VanDerWaalsContact O-N 3.13Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 HydrophobicContact CB-CD1 3.88Å; L420-I422 HydrophobicContact CB-CG1 3.78Å; L420-I422 HydrophobicContact CD1-CD1 3.98Å; L420-I422 PolarHBondContact O-N 2.98Å; I422-L436 PolarHBondContact O-N 3.24Å; I422-V455 HydrophobicContact CG2-CG1 3.46Å; I422-V455 VanDerWaalsContact CG2-CG1 3.46Å; I422-L787 HydrophobicContact CG1-CD2 4.11Å; I422-V790 HydrophobicContact CD1-CG2 4.31Å
423	L	90.6	Very high	87.2	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.058	24%	0.243	C	C	.	.	S	Bend	trans	-107	-44.2	-178.1	-62.3	178.3	0	0	0	112.4	S434 L436 R452 V455	L423-S434 VanDerWaalsContact C-CB 3.46Å; L423-S434 WeakPolarHBondContact O-CB 3.29Å; L423-S434 PolarHBondContact O-OG 2.83Å; L423-L436 HydrophobicContact CD2-CD2 4.25Å; L423-R452 HydrophobicContact CD2-CG 4.3Å; L423-V455 HydrophobicContact CD2-CG1 4.05Å
424	N	88.1	Confident	87.6	Confident	55 Å²	55	43 Å²	43	29%	0.294	23%	0.232	S	C	.	.	S	Bend	trans	-138.8	153.1	-175.9	-66.5	68.7	0	0	0	108	E421 G429 S430	E421-N424 WeakPolarHBondContact CA-O 3.46Å; N424-G429 PolarHBondContact ND2-O 2.99Å; N424-S430 WeakPolarHBondContact CA-O 3.25Å
425	N	87.7	Confident	88.2	Confident	18 Å²	18	43 Å²	43	10%	0.096	23%	0.231	C	C	.	.			trans	-76.7	167.9	173.4	74.4	48.9	0	0	0	111.9	E421 T427 D428 G429 S430 R432	E421-N425 VanDerWaalsContact OE1-CA 3.29Å; E421-N425 WeakPolarHBondContact OE1-CA 3.31Å; E421-N425 WeakPolarHBondContact OE1-CB 3.49Å; N425-T427 PolarHBondContact OD1-N 3.18Å; N425-T427 PolarHBondContact OD1-OG1 3.4Å; N425-T427 VanDerWaalsContact OD1-OG1 3.11Å; N425-D428 PolarHBondContact ND2-OD1 3.15Å; N425-D428 PolarHBondContact OD1-N 2.78Å; N425-D428 PolarHBondContact OD1-OD1 3.27Å; N425-G429 PolarHBondContact OD1-N 3.11Å; N425-S430 PolarHBondContact N-O 2.67Å; N425-S430 PolarHBondContact ND2-O 3.02Å; N425-S430 PolarHBondContact ND2-OG 3.07Å; N425-R432 PolarHBondContact ND2-O 2.7Å
426	Q	84.1	Confident	88.6	Confident	101 Å²	101	42.6 Å²	42.6	47%	0.472	23%	0.228	S	C	.	.	S	Bend	trans	-93.8	-1.5	177.6	-70.4	-176.3	-39.2	0	0	114.1	R418 N419 E421	R418-Q426 PolarHBondContact O-NE2 3.35Å; N419-Q426 PolarHBondContact OD1-NE2 2.66Å; E421-Q426 HydrophobicContact CG-CG 4.08Å; E421-Q426 PolarHBondContact OE1-N 2.59Å
427	T	81.6	Confident	88.8	Confident	127 Å²	127	46.5 Å²	46.5	78%	0.779	24%	0.243	S	C	*	.	S	Bend	trans	-101.3	-46	-169.9	52.2	0	0	0	0	114.2	N425	N425-T427 PolarHBondContact OD1-N 3.18Å; N425-T427 PolarHBondContact OD1-OG1 3.4Å; N425-T427 VanDerWaalsContact OD1-OG1 3.11Å
428	D	80.6	Confident	89	Confident	115 Å²	115	46.1 Å²	46.1	62%	0.615	24%	0.24	S	C	*	.	S	Bend	trans	-122.7	-4.2	173.5	70.6	12	0	0	0	113.3	N425 S430	N425-D428 PolarHBondContact ND2-OD1 3.15Å; N425-D428 PolarHBondContact OD1-N 2.78Å; N425-D428 PolarHBondContact OD1-OD1 3.27Å; D428-S430 PolarHBondContact O-N 2.81Å; D428-S430 WeakPolarHBondContact OD1-CA 3.28Å; D428-S430 WeakPolarHBondContact OD1-CB 3.36Å; D428-S430 PolarHBondContact OD1-N 3.03Å; D428-S430 PolarHBondContact OD1-OG 3.27Å; D428-S430 PolarHBondContact OD2-OG 3.23Å
429	G	78.3	Confident	89.3	Confident	41 Å²	41	42.1 Å²	42.1	42%	0.423	23%	0.225	S	C	.	.			trans	76.7	0.6	-179.8	0	0	0	0	0	114.1	N424 N425	N424-G429 PolarHBondContact ND2-O 2.99Å; N425-G429 PolarHBondContact OD1-N 3.11Å
430	S	83	Confident	89.5	Confident	43 Å²	43	43.8 Å²	43.8	30%	0.301	23%	0.234	S	C	.	.	S	Bend	trans	-74.4	168.8	177.6	77.5	0	0	0	0	112.2	N424 N425 D428 R432	N424-S430 WeakPolarHBondContact CA-O 3.25Å; N425-S430 PolarHBondContact N-O 2.67Å; N425-S430 PolarHBondContact ND2-O 3.02Å; N425-S430 PolarHBondContact ND2-OG 3.07Å; D428-S430 PolarHBondContact O-N 2.81Å; D428-S430 WeakPolarHBondContact OD1-CA 3.28Å; D428-S430 WeakPolarHBondContact OD1-CB 3.36Å; D428-S430 PolarHBondContact OD1-N 3.03Å; D428-S430 PolarHBondContact OD1-OG 3.27Å; D428-S430 PolarHBondContact OD2-OG 3.23Å; S430-R432 VanDerWaalsContact C-N 3.3Å; S430-R432 PolarHBondContact OG-N 2.75Å
431	V	86.9	Confident	89.5	Confident	52 Å²	52	46.7 Å²	46.7	32%	0.315	25%	0.248	S	C	.	.	S	Bend	trans	-75	-22.4	176	-172.7	0	0	0	0	110.9	G433 S434 L436 W437	V431-G433 PolarHBondContact O-N 2.85Å; V431-S434 VanDerWaalsContact O-CB 3.26Å; V431-S434 WeakPolarHBondContact O-CB 3.32Å; V431-S434 PolarHBondContact O-N 3.15Å; V431-S434 PolarHBondContact O-OG 3.43Å; V431-L436 HydrophobicContact CG1-CB 4.31Å; V431-L436 HydrophobicContact CG1-CD2 4.19Å; V431-L436 HydrophobicContact CG1-CG 4.22Å; V431-W437 HydrophobicContact CG1-CB 4.2Å; V431-W437 WeakPolarHBondContact O-CB 3.18Å
432	R	89.3	Confident	89.6	Confident	170 Å²	170	45.7 Å²	45.7	64%	0.642	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	131.2	-176.8	-172.8	178.5	179.8	179.2	-0.3	110.6	N425 S430 S434 W437	N425-R432 PolarHBondContact ND2-O 2.7Å; S430-R432 VanDerWaalsContact C-N 3.3Å; S430-R432 PolarHBondContact OG-N 2.75Å; R432-S434 VanDerWaalsContact C-N 3.28Å; R432-W437 HydrophobicContact CG-CD2 4.49Å
433	G	88.2	Confident	89.5	Confident	16 Å²	16	52.4 Å²	52.4	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-4.8	-175.5	0	0	0	0	0	114.8	V431 W437 A742	V431-G433 PolarHBondContact O-N 2.85Å; G433-W437 VanDerWaalsContact N-CE3 3.34Å; G433-A742 WeakPolarHBondContact O-CB 3.42Å
434	S	93.4	Very high	89.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-79	164.4	171.4	86.9	0	0	0	0	112	E421 L423 V431 R432 L436 W437 V438	E421-S434 CarbonylContact O-C 3.59Å; E421-S434 WeakPolarHBondContact O-CA 3.29Å; E421-S434 WeakPolarHBondContact O-CB 3.31Å; L423-S434 VanDerWaalsContact C-CB 3.46Å; L423-S434 WeakPolarHBondContact O-CB 3.29Å; L423-S434 PolarHBondContact O-OG 2.83Å; V431-S434 VanDerWaalsContact O-CB 3.26Å; V431-S434 WeakPolarHBondContact O-CB 3.32Å; V431-S434 PolarHBondContact O-N 3.15Å; V431-S434 PolarHBondContact O-OG 3.43Å; R432-S434 VanDerWaalsContact C-N 3.28Å; S434-L436 VanDerWaalsContact C-N 3.26Å; S434-L436 PolarHBondContact O-N 2.65Å; S434-L436 PolarHBondContact OG-N 3.47Å; S434-W437 PolarHBondContact O-N 3.19Å; S434-W437 PolarHBondContact OG-N 3.24Å; S434-V438 PolarHBondContact O-N 3.43Å
435	L	95.3	Very high	89.6	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-37.1	173.2	-176.9	64.4	0	0	0	112	E421 W437 V438 L439 V455 P741 L787 V790 M791	E421-L435 PolarHBondContact O-N 3.1Å; L435-W437 VanDerWaalsContact C-N 3.29Å; L435-W437 PolarHBondContact O-N 3.49Å; L435-V438 WeakPolarHBondContact O-CB 3.45Å; L435-V438 PolarHBondContact O-N 3.46Å; L435-V438 VanDerWaalsContact O-N 3.17Å; L435-L439 HydrophobicContact CD1-CD1 4.13Å; L435-L439 HydrophobicContact CD1-CG 4.38Å; L435-L439 HydrophobicContact CD2-CD1 4.44Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.2Å; L435-V455 HydrophobicContact CD2-CG1 4.43Å; L435-P741 HydrophobicContact CD1-CB 4.2Å; L435-P741 HydrophobicContact CD1-CG 4.34Å; L435-L787 HydrophobicContact CB-CD2 4.03Å; L435-L787 HydrophobicContact CD1-CD2 4.34Å; L435-L787 HydrophobicContact CD2-CD2 3.85Å; L435-L787 HydrophobicContact CG-CD2 4.28Å; L435-V790 HydrophobicContact CD2-CB 4.25Å; L435-V790 HydrophobicContact CD2-CG1 3.53Å; L435-M791 HydrophobicContact CD1-CG 3.84Å; L435-M791 HydrophobicContact CD1-SD 3.75Å; L435-M791 HydrophobicContact CD2-CG 4.3Å
436	L	95.2	Very high	89.8	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-40.2	176.2	-179.9	59.2	0	0	0	111.7	I422 L423 V431 S434 L439 D440 L451 R452 V455	I422-L436 PolarHBondContact O-N 3.24Å; L423-L436 HydrophobicContact CD2-CD2 4.25Å; V431-L436 HydrophobicContact CG1-CB 4.31Å; V431-L436 HydrophobicContact CG1-CD2 4.19Å; V431-L436 HydrophobicContact CG1-CG 4.22Å; S434-L436 VanDerWaalsContact C-N 3.26Å; S434-L436 PolarHBondContact O-N 2.65Å; S434-L436 PolarHBondContact OG-N 3.47Å; L436-L439 PolarHBondContact O-N 2.91Å; L436-D440 WeakPolarHBondContact O-CB 3.21Å; L436-D440 PolarHBondContact O-N 3.41Å; L436-D440 VanDerWaalsContact O-N 3.08Å; L436-L451 HydrophobicContact CD1-CD2 4.27Å; L436-L451 HydrophobicContact CD1-CG 4.07Å; L436-R452 HydrophobicContact CD1-CB 4.38Å; L436-R452 HydrophobicContact CD2-CB 4.12Å; L436-R452 HydrophobicContact CD2-CG 4.31Å; L436-V455 HydrophobicContact CB-CG1 4.34Å; L436-V455 HydrophobicContact CD1-CB 4.41Å; L436-V455 HydrophobicContact CD1-CG2 3.96Å
437	W	94.6	Very high	90.3	Very high	83 Å²	83	44.7 Å²	44.7	31%	0.314	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-35.8	175.5	167.5	73.8	0	0	0	113.4	V431 R432 G433 S434 L435 L439 L745 L746	V431-W437 HydrophobicContact CG1-CB 4.2Å; V431-W437 WeakPolarHBondContact O-CB 3.18Å; R432-W437 HydrophobicContact CG-CD2 4.49Å; G433-W437 VanDerWaalsContact N-CE3 3.34Å; S434-W437 PolarHBondContact O-N 3.19Å; S434-W437 PolarHBondContact OG-N 3.24Å; L435-W437 VanDerWaalsContact C-N 3.29Å; L435-W437 PolarHBondContact O-N 3.49Å; W437-L439 PolarHBondContact O-N 3.46Å; W437-L745 HydrophobicContact CH2-CB 3.92Å; W437-L745 HydrophobicContact CH2-CD1 4.32Å; W437-L745 HydrophobicContact CZ3-CB 4.13Å; W437-L745 HydrophobicContact CZ3-CD1 4.31Å; W437-L746 HydrophobicContact CH2-CD2 3.88Å; W437-L746 HydrophobicContact CH2-CG 4.08Å; W437-L746 HydrophobicContact CZ3-CD2 4.22Å; W437-L746 HydrophobicContact CZ3-CG 4.05Å
438	V	93.8	Very high	90.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-25.4	175.8	178.9	0	0	0	0	112.2	S434 L435 P741 A742 L745	S434-V438 PolarHBondContact O-N 3.43Å; L435-V438 WeakPolarHBondContact O-CB 3.45Å; L435-V438 PolarHBondContact O-N 3.46Å; L435-V438 VanDerWaalsContact O-N 3.17Å; V438-P741 HydrophobicContact CG1-CB 3.95Å; V438-P741 HydrophobicContact CG2-CB 4.39Å; V438-A742 HydrophobicContact CG2-CB 3.78Å; V438-L745 HydrophobicContact CB-CD1 4.34Å; V438-L745 HydrophobicContact CG1-CD1 3.94Å; V438-L745 HydrophobicContact CG2-CD1 4.26Å
439	L	95.6	Very high	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-106.2	-11.3	-172.5	-60.1	177.6	0	0	0	114.3	L435 L436 W437 H441 L451 V455 S711 L712 V715 M791 M794	L435-L439 HydrophobicContact CD1-CD1 4.13Å; L435-L439 HydrophobicContact CD1-CG 4.38Å; L435-L439 HydrophobicContact CD2-CD1 4.44Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.2Å; L436-L439 PolarHBondContact O-N 2.91Å; W437-L439 PolarHBondContact O-N 3.46Å; L439-H441 PolarHBondContact O-N 2.83Å; L439-L451 HydrophobicContact CB-CD2 4.36Å; L439-L451 WeakPolarHBondContact O-CD2 3.29Å; L439-V455 HydrophobicContact CD1-CG2 3.96Å; L439-S711 PolarHBondContact O-OG 2.82Å; L439-L712 HydrophobicContact CD2-CD2 4.31Å; L439-V715 HydrophobicContact CD2-CB 4.5Å; L439-V715 HydrophobicContact CD2-CG1 4.03Å; L439-V715 HydrophobicContact CD2-CG2 4Å; L439-M791 HydrophobicContact CD1-CG 4.48Å; L439-M791 HydrophobicContact CD2-CE 3.93Å; L439-M794 HydrophobicContact CD1-CE 3.74Å; L439-M794 HydrophobicContact CD1-SD 3.84Å
440	D	94.7	Very high	91.9	Very high	46 Å²	46	38.4 Å²	38.4	25%	0.246	18%	0.175	C	C	.	.			trans	-87	85.2	-174.3	-173.1	15.9	0	0	0	113.2	L436 V442 R448 L451	L436-D440 WeakPolarHBondContact O-CB 3.21Å; L436-D440 PolarHBondContact O-N 3.41Å; L436-D440 VanDerWaalsContact O-N 3.08Å; D440-V442 WeakPolarHBondContact OD1-CG2 3.44Å; D440-V442 PolarHBondContact OD1-N 2.93Å; D440-R448 IonicContact OD1-NE 2.71Å; D440-R448 IonicContact OD1-NH2 3.44Å; D440-R448 WeakPolarHBondContact OD2-CD 3.43Å; D440-R448 IonicContact OD2-CZ 3.62Å; D440-R448 IonicContact OD2-NE 3.17Å; D440-R448 PolarHBondContact OD2-NE 3.12Å; D440-R448 IonicContact OD2-NH2 2.73Å; D440-L451 HydrophobicContact CB-CD2 4.05Å
441	H	93.7	Very high	92.4	Very high	64 Å²	64	36.3 Å²	36.3	30%	0.296	16%	0.16	S	C	.	.			trans	-111.1	14.4	167	-62.9	-92.8	0	0	0	112.1	L439 R443 S711 E714 Q718	L439-H441 PolarHBondContact O-N 2.83Å; H441-R443 PolarHBondContact O-NE 2.9Å; H441-S711 WeakPolarHBondContact CA-OG 3.45Å; H441-S711 WeakPolarHBondContact CB-OG 3.48Å; H441-S711 PolarHBondContact N-OG 2.89Å; H441-E714 HydrophobicContact CB-CB 4.12Å; H441-E714 HydrophobicContact CB-CG 4.4Å; H441-Q718 PolarHBondContact NE2-NE2 3.14Å; H441-Q718 VanDerWaalsContact NE2-NE2 3.14Å
442	V	93.6	Very high	92.7	Very high	8 Å²	8	35.9 Å²	35.9	5%	0.048	15%	0.153	C	C	.	.			trans	-67	150.2	-176.8	-55.7	0	0	0	0	111.5	D440 R448 L451 S711	D440-V442 WeakPolarHBondContact OD1-CG2 3.44Å; D440-V442 PolarHBondContact OD1-N 2.93Å; V442-R448 HydrophobicContact CG2-CB 3.67Å; V442-R448 HydrophobicContact CG2-CG 4.48Å; V442-L451 HydrophobicContact CG1-CB 4.43Å; V442-L451 HydrophobicContact CG1-CD2 4.03Å; V442-S711 PolarHBondContact N-OG 3.4Å
443	R	91.3	Very high	92.6	Very high	142 Å²	142	31.3 Å²	31.3	54%	0.536	14%	0.138	S	C	.	.	S	Bend	trans	-98.4	-14.5	-177.8	-55.6	-55.1	174.8	155.2	-1.3	113.7	H441 D707	H441-R443 PolarHBondContact O-NE 2.9Å; R443-D707 PolarHBondContact N-OD1 3.12Å; R443-D707 PolarHBondContact N-OD2 3.11Å
444	T	91.6	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-118.5	147	-175.2	69.3	0	0	0	0	113	F446 G447 R448 L490 L493 D707	T444-F446 VanDerWaalsContact C-N 3.33Å; T444-F446 HydrophobicContact CG2-CE1 4.32Å; T444-F446 HydrophobicContact CG2-CE2 3.73Å; T444-F446 HydrophobicContact CG2-CZ 3.6Å; T444-F446 PolarHBondContact O-N 2.8Å; T444-F446 VanDerWaalsContact OG1-CD2 3.26Å; T444-F446 WeakPolarHBondContact OG1-CD2 3.38Å; T444-F446 WeakPolarHBondContact OG1-CE2 3.39Å; T444-G447 PolarHBondContact O-N 2.89Å; T444-G447 WeakPolarHBondContact OG1-CA 3.35Å; T444-G447 PolarHBondContact OG1-N 3.16Å; T444-R448 PolarHBondContact O-N 2.94Å; T444-R448 VanDerWaalsContact O-N 3.12Å; T444-L490 HydrophobicContact CG2-CB 4.33Å; T444-L490 HydrophobicContact CG2-CD2 4.17Å; T444-L493 HydrophobicContact CG2-CB 4.41Å; T444-L493 HydrophobicContact CG2-CD1 4.18Å; T444-D707 VanDerWaalsContact CB-OD2 3.3Å; T444-D707 WeakPolarHBondContact CB-OD2 3.41Å; T444-D707 WeakPolarHBondContact CG2-OD2 3.46Å; T444-D707 PolarHBondContact N-OD2 3.06Å; T444-D707 PolarHBondContact OG1-OD2 3.11Å
445	P	90.3	Very high	92.8	Very high	19 Å²	19	31.5 Å²	31.5	12%	0.123	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-40.2	175.6	-26.4	36.5	0	0	0	113.4	R448 R449 D495	P445-R448 WeakPolarHBondContact O-CB 3.28Å; P445-R448 PolarHBondContact O-N 3.49Å; P445-R449 PolarHBondContact O-N 3.14Å; P445-R449 VanDerWaalsContact O-N 3.14Å; P445-D495 HydrophobicContact CB-CB 4.21Å; P445-D495 HydrophobicContact CG-CB 4.11Å
446	F	91.4	Very high	92.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-69.3	-32.4	177.1	45.7	-98.1	0	0	0	112.7	T444 L450 L493 L496 E497 I700 L703 A704	T444-F446 VanDerWaalsContact C-N 3.33Å; T444-F446 HydrophobicContact CG2-CE1 4.32Å; T444-F446 HydrophobicContact CG2-CE2 3.73Å; T444-F446 HydrophobicContact CG2-CZ 3.6Å; T444-F446 PolarHBondContact O-N 2.8Å; T444-F446 VanDerWaalsContact OG1-CD2 3.26Å; T444-F446 WeakPolarHBondContact OG1-CD2 3.38Å; T444-F446 WeakPolarHBondContact OG1-CE2 3.39Å; F446-L450 PolarHBondContact O-N 3.32Å; F446-L450 VanDerWaalsContact O-N 3.1Å; F446-L493 HydrophobicContact CZ-CD1 4.23Å; F446-L496 HydrophobicContact CD1-CB 4.4Å; F446-L496 HydrophobicContact CE1-CB 3.86Å; F446-L496 HydrophobicContact CE1-CD1 4.1Å; F446-L496 HydrophobicContact CE1-CG 4.01Å; F446-L496 HydrophobicContact CZ-CD1 4.07Å; F446-L496 HydrophobicContact CZ-CG 4.48Å; F446-E497 HydrophobicContact CB-CB 4.21Å; F446-I700 HydrophobicContact CB-CG2 4.22Å; F446-I700 HydrophobicContact CD1-CG2 4.04Å; F446-I700 HydrophobicContact CD2-CG2 3.9Å; F446-I700 HydrophobicContact CE1-CG2 4.38Å; F446-I700 HydrophobicContact CE2-CG2 4.22Å; F446-I700 HydrophobicContact CG-CG2 3.79Å; F446-I700 HydrophobicContact CZ-CG2 4.45Å; F446-L703 HydrophobicContact CE2-CB 4.07Å; F446-A704 HydrophobicContact CD2-CB 3.84Å
447	G	93.9	Very high	92.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-46.2	167.8	0	0	0	0	0	112.2	T444 R449 L450 L451 C708	T444-G447 PolarHBondContact O-N 2.89Å; T444-G447 WeakPolarHBondContact OG1-CA 3.35Å; T444-G447 PolarHBondContact OG1-N 3.16Å; G447-R449 PolarHBondContact O-N 3.28Å; G447-L450 PolarHBondContact O-N 3.4Å; G447-L451 PolarHBondContact O-N 3.46Å; G447-C708 PolarHBondContact O-SG 3.32Å; G447-C708 VanDerWaalsContact O-SG 3.33Å
448	R	91.8	Very high	92.1	Very high	88 Å²	88	29.5 Å²	29.5	33%	0.332	13%	0.129	S	C	.	.	H	α-helix	trans	-60.1	-44	177.8	-172.8	173.1	-68.8	99.7	19.2	113	D440 V442 T444 P445 L451 R452	D440-R448 IonicContact OD1-NE 2.71Å; D440-R448 IonicContact OD1-NH2 3.44Å; D440-R448 WeakPolarHBondContact OD2-CD 3.43Å; D440-R448 IonicContact OD2-CZ 3.62Å; D440-R448 IonicContact OD2-NE 3.17Å; D440-R448 PolarHBondContact OD2-NE 3.12Å; D440-R448 IonicContact OD2-NH2 2.73Å; V442-R448 HydrophobicContact CG2-CB 3.67Å; V442-R448 HydrophobicContact CG2-CG 4.48Å; T444-R448 PolarHBondContact O-N 2.94Å; T444-R448 VanDerWaalsContact O-N 3.12Å; P445-R448 WeakPolarHBondContact O-CB 3.28Å; P445-R448 PolarHBondContact O-N 3.49Å; R448-L451 PolarHBondContact O-N 2.75Å; R448-R452 PolarHBondContact O-N 3.29Å
449	R	90.4	Very high	92	Very high	27 Å²	27	30.9 Å²	30.9	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-42.5	175.7	-68.3	-172.4	-68.2	-96.6	10.6	111.8	D245 P445 G447 R452 K453 D495 E497	D245-R449 WeakPolarHBondContact OD1-CD 3.32Å; D245-R449 WeakPolarHBondContact OD1-CG 3.37Å; P445-R449 PolarHBondContact O-N 3.14Å; P445-R449 VanDerWaalsContact O-N 3.14Å; G447-R449 PolarHBondContact O-N 3.28Å; R449-R452 PolarHBondContact O-N 3.12Å; R449-K453 PolarHBondContact O-N 3.45Å; R449-D495 IonicContact CZ-OD1 3.64Å; R449-D495 IonicContact CZ-OD2 2.73Å; R449-D495 IonicContact NH1-OD1 3.78Å; R449-D495 IonicContact NH1-OD2 3.83Å; R449-D495 PolarHBondContact NH1-OD2 2.95Å; R449-D495 IonicContact NH2-OD1 3.93Å; R449-D495 PolarHBondContact NH2-OD1 3.03Å; R449-D495 IonicContact NH2-OD2 2.98Å; R449-D495 PolarHBondContact NH2-OD2 2.93Å; R449-E497 IonicContact CZ-OE2 3.09Å; R449-E497 IonicContact NE-OE2 2.69Å; R449-E497 PolarHBondContact NE-OE2 2.99Å; R449-E497 IonicContact NH2-OE2 2.7Å; R449-E497 PolarHBondContact NH2-OE2 3.37Å
450	L	92.3	Very high	91.8	Very high	35 Å²	35	33 Å²	33	18%	0.183	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-38.7	175.9	-175.2	61.6	0	0	0	112.5	F446 G447 K453 W454 A704	F446-L450 PolarHBondContact O-N 3.32Å; F446-L450 VanDerWaalsContact O-N 3.1Å; G447-L450 PolarHBondContact O-N 3.4Å; L450-K453 WeakPolarHBondContact O-CB 3.28Å; L450-K453 PolarHBondContact O-N 2.82Å; L450-W454 HydrophobicContact CD2-CZ2 4.16Å; L450-W454 HydrophobicContact CG-CZ2 4.45Å; L450-W454 VanDerWaalsContact O-CD1 3.25Å; L450-W454 PolarHBondContact O-N 2.94Å; L450-A704 HydrophobicContact CB-CB 4.27Å; L450-A704 HydrophobicContact CD2-CB 3.7Å
451	L	93.9	Very high	91.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-44.1	176.1	-177.2	64.5	0	0	0	111.7	L436 L439 D440 V442 G447 R448 K453 W454 V455 L712 M794	L436-L451 HydrophobicContact CD1-CD2 4.27Å; L436-L451 HydrophobicContact CD1-CG 4.07Å; L439-L451 HydrophobicContact CB-CD2 4.36Å; L439-L451 WeakPolarHBondContact O-CD2 3.29Å; D440-L451 HydrophobicContact CB-CD2 4.05Å; V442-L451 HydrophobicContact CG1-CB 4.43Å; V442-L451 HydrophobicContact CG1-CD2 4.03Å; G447-L451 PolarHBondContact O-N 3.46Å; R448-L451 PolarHBondContact O-N 2.75Å; L451-K453 PolarHBondContact O-N 3.23Å; L451-W454 PolarHBondContact O-N 3.41Å; L451-V455 HydrophobicContact CD1-CG2 4.29Å; L451-V455 HydrophobicContact CG-CG2 4.35Å; L451-V455 WeakPolarHBondContact O-CG2 3.42Å; L451-V455 PolarHBondContact O-N 2.94Å; L451-L712 HydrophobicContact CD1-CD2 4.33Å; L451-M794 HydrophobicContact CD1-CE 4.2Å
452	R	91.6	Very high	91.4	Very high	42 Å²	42	34 Å²	34	16%	0.158	16%	0.155	C	C	.	.	H	α-helix	trans	-53	-39.8	171.6	171.6	174.3	-80.7	-88.1	-2.1	111.4	L423 L436 R448 R449 S456	L423-R452 HydrophobicContact CD2-CG 4.3Å; L436-R452 HydrophobicContact CD1-CB 4.38Å; L436-R452 HydrophobicContact CD2-CB 4.12Å; L436-R452 HydrophobicContact CD2-CG 4.31Å; R448-R452 PolarHBondContact O-N 3.29Å; R449-R452 PolarHBondContact O-N 3.12Å; R452-S456 PolarHBondContact O-N 3.2Å; R452-S456 PolarHBondContact O-OG 3.33Å
453	K	88.6	Confident	91.3	Very high	75 Å²	75	40.3 Å²	40.3	33%	0.326	18%	0.184	S	C	.	.	H	α-helix	trans	-67.2	-45.7	173.4	-173.9	177.8	178.5	-178.5	0	112.7	R449 L450 L451 V455 S456 Q457	R449-K453 PolarHBondContact O-N 3.45Å; L450-K453 WeakPolarHBondContact O-CB 3.28Å; L450-K453 PolarHBondContact O-N 2.82Å; L451-K453 PolarHBondContact O-N 3.23Å; K453-V455 VanDerWaalsContact C-N 3.31Å; K453-V455 PolarHBondContact O-N 3.37Å; K453-S456 PolarHBondContact O-N 3.22Å; K453-S456 PolarHBondContact O-OG 3.34Å; K453-Q457 PolarHBondContact O-N 3.16Å
454	W	92.2	Very high	91.4	Very high	19 Å²	19	35.6 Å²	35.6	7%	0.072	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-37.6	179.1	-70	14.8	0	0	0	112.4	L450 L451 Q457 R468 T705 C708 L709 L712 M794	L450-W454 HydrophobicContact CD2-CZ2 4.16Å; L450-W454 HydrophobicContact CG-CZ2 4.45Å; L450-W454 VanDerWaalsContact O-CD1 3.25Å; L450-W454 PolarHBondContact O-N 2.94Å; L451-W454 PolarHBondContact O-N 3.41Å; W454-Q457 CarbonylContact O-C 3.58Å; W454-R468 VanDerWaalsContact CE2-NH2 3.27Å; W454-T705 HydrophobicContact CH2-CG2 4.11Å; W454-T705 HydrophobicContact CZ2-CG2 4.01Å; W454-C708 HydrophobicContact CE3-CB 4.07Å; W454-C708 HydrophobicContact CH2-CB 3.68Å; W454-C708 HydrophobicContact CZ2-CB 4.16Å; W454-C708 HydrophobicContact CZ3-CB 3.63Å; W454-L709 HydrophobicContact CH2-CD2 4.23Å; W454-L709 HydrophobicContact CH2-CG 4.17Å; W454-L709 HydrophobicContact CZ3-CD2 4.25Å; W454-L712 HydrophobicContact CE3-CD1 4.24Å; W454-L712 HydrophobicContact CZ3-CD1 4.1Å; W454-M794 HydrophobicContact CB-CE 4.07Å; W454-M794 WeakPolarHBondContact O-CG 3Å
455	V	92.4	Very high	91.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.3	-37.5	177.4	170.7	0	0	0	0	112.2	I422 L423 L435 L436 L439 L451 K453 M794	I422-V455 HydrophobicContact CG2-CG1 3.46Å; I422-V455 VanDerWaalsContact CG2-CG1 3.46Å; L423-V455 HydrophobicContact CD2-CG1 4.05Å; L435-V455 HydrophobicContact CD2-CG1 4.43Å; L436-V455 HydrophobicContact CB-CG1 4.34Å; L436-V455 HydrophobicContact CD1-CB 4.41Å; L436-V455 HydrophobicContact CD1-CG2 3.96Å; L439-V455 HydrophobicContact CD1-CG2 3.96Å; L451-V455 HydrophobicContact CD1-CG2 4.29Å; L451-V455 HydrophobicContact CG-CG2 4.35Å; L451-V455 WeakPolarHBondContact O-CG2 3.42Å; L451-V455 PolarHBondContact O-N 2.94Å; K453-V455 VanDerWaalsContact C-N 3.31Å; K453-V455 PolarHBondContact O-N 3.37Å; V455-M794 HydrophobicContact CB-CE 4.32Å; V455-M794 HydrophobicContact CB-SD 4.4Å; V455-M794 HydrophobicContact CG2-CE 3.44Å; V455-M794 VanDerWaalsContact CG2-CE 3.44Å; V455-M794 HydrophobicContact CG2-SD 3.92Å
456	S	88.9	Confident	91.7	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-86.4	-13.5	179.1	50.9	0	0	0	0	114.6	R452 K453	R452-S456 PolarHBondContact O-N 3.2Å; R452-S456 PolarHBondContact O-OG 3.33Å; K453-S456 PolarHBondContact O-N 3.22Å; K453-S456 PolarHBondContact O-OG 3.34Å
457	Q	88.4	Confident	91.8	Very high	42 Å²	42	39.7 Å²	39.7	20%	0.196	20%	0.196	C	C	.	.	S	Bend	trans	-140	77.1	176.5	-170.2	170.4	28.7	0	0	111.2	G408 K453 W454	G408-Q457 PolarHBondContact O-NE2 3.22Å; K453-Q457 PolarHBondContact O-N 3.16Å; W454-Q457 CarbonylContact O-C 3.58Å
458	P	93	Very high	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.			trans	-63.1	155.2	171.6	-21.8	35.4	0	0	0	111.6	G409 M410 L412 V790 Q793 M794	G409-P458 CarbonylContact C-O 3.5Å; G409-P458 WeakPolarHBondContact CA-O 3.23Å; M410-P458 HydrophobicContact CB-CB 4.34Å; M410-P458 HydrophobicContact CE-CB 3.96Å; M410-P458 HydrophobicContact CE-CG 3.81Å; M410-P458 PolarHBondContact N-O 2.94Å; L412-P458 HydrophobicContact CD1-CG 4.33Å; P458-V790 HydrophobicContact CG-CG1 3.85Å; P458-Q793 HydrophobicContact CB-CB 3.89Å; P458-M794 HydrophobicContact CB-CG 4.14Å; P458-M794 HydrophobicContact CG-CG 4.17Å
459	L	92.8	Very high	92.1	Very high	29 Å²	29	37.1 Å²	37.1	15%	0.152	19%	0.187	C	C	.	.			trans	-78.3	156.7	-173.5	-58.4	174.2	0	0	0	112.8	C464 I465 Q793	L459-C464 HydrophobicContact CD1-CB 3.75Å; L459-I465 HydrophobicContact CB-CD1 4.1Å; L459-I465 HydrophobicContact CB-CG1 3.64Å; L459-I465 HydrophobicContact CD1-CG1 3.93Å; L459-I465 HydrophobicContact CG-CG1 4.4Å; L459-Q793 WeakPolarHBondContact CB-O 3.27Å; L459-Q793 PolarHBondContact N-O 2.87Å; L459-Q793 WeakPolarHBondContact O-CB 3.37Å; L459-Q793 PolarHBondContact O-NE2 3.39Å
460	T	90.5	Very high	92.3	Very high	44 Å²	44	39.2 Å²	39.2	27%	0.27	20%	0.2	S	C	.	.			trans	-117.1	1.6	173.8	41	0	0	0	0	113.3	M410	M410-T460 HydrophobicContact CB-CG2 4.24Å
461	E	90.6	Very high	92.5	Very high	99 Å²	99	37.6 Å²	37.6	46%	0.463	19%	0.191	S	C	.	.			trans	-105.2	118.1	179.2	-179.2	166.9	-134.3	0	0	110.8	Q463 C464 I465	E461-Q463 HydrophobicContact CG-CB 4.28Å; E461-Q463 PolarHBondContact O-N 2.93Å; E461-C464 HydrophobicContact CB-CB 4.39Å; E461-C464 PolarHBondContact O-N 2.77Å; E461-C464 PolarHBondContact OE2-SG 3.19Å; E461-I465 WeakPolarHBondContact O-CD1 3.49Å; E461-I465 VanDerWaalsContact O-CG1 3.29Å; E461-I465 WeakPolarHBondContact O-CG1 3.33Å; E461-I465 PolarHBondContact O-N 2.93Å
462	P	90.4	Very high	92.6	Very high	33 Å²	33	37.6 Å²	37.6	21%	0.214	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-33.8	-178.2	-24.8	31.9	0	0	0	114.1	I465 A466 E728 V807	P462-I465 PolarHBondContact O-N 3.03Å; P462-A466 WeakPolarHBondContact O-CB 3.49Å; P462-A466 PolarHBondContact O-N 2.73Å; P462-E728 HydrophobicContact CG-CB 3.97Å; P462-E728 HydrophobicContact CG-CG 4.04Å; P462-V807 HydrophobicContact CG-CG2 4.08Å
463	Q	91.5	Very high	92.7	Very high	139 Å²	139	38 Å²	38	65%	0.65	20%	0.195	S	C	*	.	H	α-helix	trans	-68.8	-55	-176.8	-58.2	-175.3	22.7	0	0	111	E461 I465 A466 E467	E461-Q463 HydrophobicContact CG-CB 4.28Å; E461-Q463 PolarHBondContact O-N 2.93Å; Q463-I465 PolarHBondContact O-N 3.13Å; Q463-A466 WeakPolarHBondContact O-CB 3.29Å; Q463-A466 PolarHBondContact O-N 2.78Å; Q463-E467 PolarHBondContact O-N 3.26Å
464	C	92.3	Very high	92.9	Very high	44 Å²	44	35.7 Å²	35.7	30%	0.297	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-29	174.6	-72.9	0	0	0	0	113.5	L459 E461 R468	L459-C464 HydrophobicContact CD1-CB 3.75Å; E461-C464 HydrophobicContact CB-CB 4.39Å; E461-C464 PolarHBondContact O-N 2.77Å; E461-C464 PolarHBondContact OE2-SG 3.19Å; C464-R468 WeakPolarHBondContact O-CG 3.45Å; C464-R468 PolarHBondContact O-N 3.25Å
465	I	94.1	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-46.6	172.3	-64.3	163.3	0	0	0	110.7	L459 E461 P462 Q463 R468 Q469 V726 A792 Q793 V807	L459-I465 HydrophobicContact CB-CD1 4.1Å; L459-I465 HydrophobicContact CB-CG1 3.64Å; L459-I465 HydrophobicContact CD1-CG1 3.93Å; L459-I465 HydrophobicContact CG-CG1 4.4Å; E461-I465 WeakPolarHBondContact O-CD1 3.49Å; E461-I465 VanDerWaalsContact O-CG1 3.29Å; E461-I465 WeakPolarHBondContact O-CG1 3.33Å; E461-I465 PolarHBondContact O-N 2.93Å; P462-I465 PolarHBondContact O-N 3.03Å; Q463-I465 PolarHBondContact O-N 3.13Å; I465-R468 PolarHBondContact O-N 2.78Å; I465-Q469 WeakPolarHBondContact O-CG 3.47Å; I465-Q469 PolarHBondContact O-N 3.25Å; I465-V726 HydrophobicContact CD1-CG1 4.36Å; I465-V726 HydrophobicContact CG2-CB 4.42Å; I465-V726 HydrophobicContact CG2-CG2 3.98Å; I465-A792 WeakPolarHBondContact CG2-O 3.42Å; I465-Q793 HydrophobicContact CD1-CB 4.47Å; I465-Q793 HydrophobicContact CD1-CG 4.09Å; I465-V807 HydrophobicContact CD1-CG2 4.36Å
466	A	94	Very high	92.7	Very high	36 Å²	36	37.5 Å²	37.5	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-45	178.7	0	0	0	0	0	112.1	P462 Q463 R468 Q469 D470	P462-A466 WeakPolarHBondContact O-CB 3.49Å; P462-A466 PolarHBondContact O-N 2.73Å; Q463-A466 WeakPolarHBondContact O-CB 3.29Å; Q463-A466 PolarHBondContact O-N 2.78Å; A466-R468 VanDerWaalsContact C-N 3.3Å; A466-R468 PolarHBondContact O-N 3.11Å; A466-Q469 CarbonylContact O-C 3.59Å; A466-Q469 WeakPolarHBondContact O-CB 3.43Å; A466-Q469 PolarHBondContact O-N 3.28Å; A466-D470 PolarHBondContact O-N 2.91Å
467	E	95	Very high	92.6	Very high	72 Å²	72	42.8 Å²	42.8	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-38.8	178.3	-69.4	-164.4	130	0	0	112.9	Q463 A471 S541 L542	Q463-E467 PolarHBondContact O-N 3.26Å; E467-A471 WeakPolarHBondContact O-CB 3.49Å; E467-A471 PolarHBondContact O-N 2.89Å; E467-S541 PolarHBondContact OE1-OG 2.64Å; E467-L542 HydrophobicContact CB-CB 4.45Å; E467-L542 HydrophobicContact CB-CD2 4.47Å
468	R	95.9	Very high	92.1	Very high	28 Å²	28	42.5 Å²	42.5	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-45.4	172.3	-73.8	-177.8	180	-172.6	1	111.8	W454 C464 I465 A466 D470 A471 V472 L542 L709 M794	W454-R468 VanDerWaalsContact CE2-NH2 3.27Å; C464-R468 WeakPolarHBondContact O-CG 3.45Å; C464-R468 PolarHBondContact O-N 3.25Å; I465-R468 PolarHBondContact O-N 2.78Å; A466-R468 VanDerWaalsContact C-N 3.3Å; A466-R468 PolarHBondContact O-N 3.11Å; R468-D470 VanDerWaalsContact C-N 3.34Å; R468-D470 PolarHBondContact O-N 3.15Å; R468-A471 PolarHBondContact O-N 2.9Å; R468-V472 WeakPolarHBondContact O-CB 3.41Å; R468-V472 VanDerWaalsContact O-CG2 3.29Å; R468-V472 WeakPolarHBondContact O-CG2 3.48Å; R468-V472 PolarHBondContact O-N 3.3Å; R468-L542 HydrophobicContact CG-CD2 4.14Å; R468-L709 HydrophobicContact CB-CD2 4.29Å; R468-L709 HydrophobicContact CG-CD2 4.28Å; R468-M794 WeakPolarHBondContact CD-O 3.49Å; R468-M794 PolarHBondContact NH1-O 3.07Å
469	Q	95.2	Very high	91	Very high	7 Å²	7	50 Å²	50	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-39.1	177.5	-70.7	-178.1	2.4	0	0	112.5	I465 A466 V472 Q473 P724	I465-Q469 WeakPolarHBondContact O-CG 3.47Å; I465-Q469 PolarHBondContact O-N 3.25Å; A466-Q469 CarbonylContact O-C 3.59Å; A466-Q469 WeakPolarHBondContact O-CB 3.43Å; A466-Q469 PolarHBondContact O-N 3.28Å; Q469-V472 PolarHBondContact O-N 3.48Å; Q469-Q473 VanDerWaalsContact O-CB 3.3Å; Q469-Q473 WeakPolarHBondContact O-CB 3.43Å; Q469-Q473 PolarHBondContact O-N 2.99Å; Q469-P724 PolarHBondContact NE2-O 3.1Å; Q469-P724 PolarHBondContact OE1-O 3.49Å
470	D	95.5	Very high	90.3	Very high	71 Å²	71	49.3 Å²	49.3	38%	0.38	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-39.7	177.9	-68.4	-30.6	0	0	0	111	A466 R468 Q473 E474 R723	A466-D470 PolarHBondContact O-N 2.91Å; R468-D470 VanDerWaalsContact C-N 3.34Å; R468-D470 PolarHBondContact O-N 3.15Å; D470-Q473 PolarHBondContact O-N 3.29Å; D470-E474 WeakPolarHBondContact O-CB 3.49Å; D470-E474 PolarHBondContact O-N 3.1Å; D470-R723 IonicContact OD1-CZ 3.9Å; D470-R723 IonicContact OD1-NH1 3.43Å; D470-R723 PolarHBondContact OD1-NH1 3.49Å; D470-R723 IonicContact OD1-NH2 3.13Å; D470-R723 PolarHBondContact OD1-NH2 3.31Å
471	A	95.4	Very high	89.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-44.3	171.8	0	0	0	0	0	112.6	E467 R468 E474 M475 L543 L709	E467-A471 WeakPolarHBondContact O-CB 3.49Å; E467-A471 PolarHBondContact O-N 2.89Å; R468-A471 PolarHBondContact O-N 2.9Å; A471-E474 PolarHBondContact O-N 3.43Å; A471-M475 WeakPolarHBondContact O-CB 3.39Å; A471-M475 WeakPolarHBondContact O-CG 3.43Å; A471-M475 PolarHBondContact O-N 3.13Å; A471-L543 HydrophobicContact CB-CD1 3.93Å; A471-L543 HydrophobicContact CB-CD2 4.07Å; A471-L543 HydrophobicContact CB-CG 3.7Å; A471-L709 HydrophobicContact CB-CD1 4.05Å; A471-L709 HydrophobicContact CB-CD2 4.1Å
472	V	95.6	Very high	89.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-42.1	176.5	166.4	0	0	0	0	111.1	R468 Q469 M475 M476 L709 L712 A713 A716 Y797	R468-V472 WeakPolarHBondContact O-CB 3.41Å; R468-V472 VanDerWaalsContact O-CG2 3.29Å; R468-V472 WeakPolarHBondContact O-CG2 3.48Å; R468-V472 PolarHBondContact O-N 3.3Å; Q469-V472 PolarHBondContact O-N 3.48Å; V472-M475 PolarHBondContact O-N 3.26Å; V472-M476 VanDerWaalsContact O-CB 3.27Å; V472-M476 WeakPolarHBondContact O-CB 3.46Å; V472-M476 PolarHBondContact O-N 3.45Å; V472-L709 HydrophobicContact CG2-CD2 4.03Å; V472-L712 HydrophobicContact CG2-CB 3.75Å; V472-L712 HydrophobicContact CG2-CD1 4.47Å; V472-A713 HydrophobicContact CG1-CB 4.39Å; V472-A716 HydrophobicContact CG1-CB 4.03Å; V472-Y797 HydrophobicContact CG1-CD2 3.81Å; V472-Y797 HydrophobicContact CG1-CE2 3.89Å
473	Q	94.2	Very high	89.5	Confident	51 Å²	51	48.1 Å²	48.1	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-44	176.2	-176.8	171.3	-13.5	0	0	111.4	Q469 D470 M475 M476 E477 Y797	Q469-Q473 VanDerWaalsContact O-CB 3.3Å; Q469-Q473 WeakPolarHBondContact O-CB 3.43Å; Q469-Q473 PolarHBondContact O-N 2.99Å; D470-Q473 PolarHBondContact O-N 3.29Å; Q473-M475 PolarHBondContact O-N 3.03Å; Q473-M476 WeakPolarHBondContact O-CB 3.19Å; Q473-M476 PolarHBondContact O-N 3.2Å; Q473-M476 VanDerWaalsContact O-N 3.11Å; Q473-E477 HydrophobicContact CG-CG 4.18Å; Q473-E477 VanDerWaalsContact CG-OE1 3.27Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.36Å; Q473-E477 PolarHBondContact NE2-OE1 2.92Å; Q473-E477 WeakPolarHBondContact O-CB 3.46Å; Q473-E477 WeakPolarHBondContact O-CG 3.47Å; Q473-E477 PolarHBondContact O-N 3.11Å; Q473-Y797 WeakPolarHBondContact CB-OH 3.32Å; Q473-Y797 WeakPolarHBondContact CG-OH 3.16Å
474	E	93.4	Very high	89.3	Confident	27 Å²	27	45.9 Å²	45.9	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-44.1	175.7	179.9	164	-134.3	0	0	112	D470 A471 M476 S478 R539 S540	D470-E474 WeakPolarHBondContact O-CB 3.49Å; D470-E474 PolarHBondContact O-N 3.1Å; A471-E474 PolarHBondContact O-N 3.43Å; E474-M476 PolarHBondContact O-N 3.12Å; E474-S478 VanDerWaalsContact O-CB 3.26Å; E474-S478 WeakPolarHBondContact O-CB 3.49Å; E474-S478 PolarHBondContact O-N 2.98Å; E474-S478 VanDerWaalsContact O-N 3.13Å; E474-S478 PolarHBondContact O-OG 2.77Å; E474-R539 VanDerWaalsContact OE1-CB 3.32Å; E474-R539 WeakPolarHBondContact OE1-CB 3.46Å; E474-R539 WeakPolarHBondContact OE1-CG 3.21Å; E474-R539 PolarHBondContact OE1-N 3.4Å; E474-R539 PolarHBondContact OE2-N 2.86Å; E474-S540 WeakPolarHBondContact OE2-CB 3.35Å; E474-S540 PolarHBondContact OE2-N 2.96Å
475	M	91.6	Very high	89.2	Confident	7 Å²	7	45.9 Å²	45.9	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-21.2	174	-73.3	176.3	156.6	0	0	113.7	A471 V472 Q473 L483 L543 T706 L709 L710 A713 K717	A471-M475 WeakPolarHBondContact O-CB 3.39Å; A471-M475 WeakPolarHBondContact O-CG 3.43Å; A471-M475 PolarHBondContact O-N 3.13Å; V472-M475 PolarHBondContact O-N 3.26Å; Q473-M475 PolarHBondContact O-N 3.03Å; M475-L483 HydrophobicContact CE-CD2 3.99Å; M475-L483 HydrophobicContact CG-CD1 4.37Å; M475-L483 HydrophobicContact CG-CD2 4.38Å; M475-L543 HydrophobicContact CE-CD1 4.02Å; M475-L543 HydrophobicContact CE-CD2 3.5Å; M475-L543 VanDerWaalsContact CE-CD2 3.5Å; M475-L543 HydrophobicContact CE-CG 4.4Å; M475-L543 HydrophobicContact CG-CD1 4.01Å; M475-L543 HydrophobicContact SD-CD1 4.28Å; M475-L543 HydrophobicContact SD-CD2 4.19Å; M475-T706 HydrophobicContact CE-CG2 4.06Å; M475-L709 HydrophobicContact CE-CB 4.42Å; M475-L709 HydrophobicContact SD-CB 3.81Å; M475-L710 HydrophobicContact CE-CD1 4.46Å; M475-L710 HydrophobicContact CE-CD2 3.62Å; M475-L710 HydrophobicContact CE-CG 3.6Å; M475-L710 HydrophobicContact CG-CD2 4.24Å; M475-L710 HydrophobicContact SD-CD2 3.73Å; M475-L710 HydrophobicContact SD-CG 3.89Å; M475-A713 HydrophobicContact CB-CB 3.59Å; M475-K717 PolarHBondContact O-NZ 2.81Å; M475-K717 VanDerWaalsContact O-NZ 3.17Å
476	M	88.9	Confident	89	Confident	50 Å²	50	46.1 Å²	46.1	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-77.5	-52.4	174.6	-172.2	-171	71	0	0	111.3	V472 Q473 E474 A716 K717 Y797	V472-M476 VanDerWaalsContact O-CB 3.27Å; V472-M476 WeakPolarHBondContact O-CB 3.46Å; V472-M476 PolarHBondContact O-N 3.45Å; Q473-M476 WeakPolarHBondContact O-CB 3.19Å; Q473-M476 PolarHBondContact O-N 3.2Å; Q473-M476 VanDerWaalsContact O-N 3.11Å; E474-M476 PolarHBondContact O-N 3.12Å; M476-A716 HydrophobicContact SD-CB 4.04Å; M476-K717 VanDerWaalsContact CA-CE 3.43Å; M476-K717 HydrophobicContact CG-CG 3.97Å; M476-K717 WeakPolarHBondContact O-CE 3.44Å; M476-K717 PolarHBondContact O-NZ 3.33Å; M476-Y797 HydrophobicContact CE-CE1 3.95Å; M476-Y797 HydrophobicContact SD-CD1 4.31Å; M476-Y797 HydrophobicContact SD-CE1 3.6Å
477	E	86.5	Confident	88.8	Confident	120 Å²	120	47.3 Å²	47.3	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-82.1	-19.3	-170	-67.8	177.4	177.5	0	0	114.9	Q473	Q473-E477 HydrophobicContact CG-CG 4.18Å; Q473-E477 VanDerWaalsContact CG-OE1 3.27Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.36Å; Q473-E477 PolarHBondContact NE2-OE1 2.92Å; Q473-E477 WeakPolarHBondContact O-CB 3.46Å; Q473-E477 WeakPolarHBondContact O-CG 3.47Å; Q473-E477 PolarHBondContact O-N 3.11Å
478	S	77.6	Confident	88.6	Confident	36 Å²	36	47.5 Å²	47.5	25%	0.252	25%	0.252	S	S	.	.			trans	-96.4	120.9	-171.4	63.3	0	0	0	0	114.5	E474 S480 L483	E474-S478 VanDerWaalsContact O-CB 3.26Å; E474-S478 WeakPolarHBondContact O-CB 3.49Å; E474-S478 PolarHBondContact O-N 2.98Å; E474-S478 VanDerWaalsContact O-N 3.13Å; E474-S478 PolarHBondContact O-OG 2.77Å; S478-S480 PolarHBondContact O-N 2.82Å; S478-L483 VanDerWaalsContact OG-CD1 3.24Å; S478-L483 WeakPolarHBondContact OG-CD1 3.23Å
479	D	70.8	Confident	88.4	Confident	156 Å²	156	47.2 Å²	47.2	83%	0.834	25%	0.252	S	S	*	.			trans	-74.9	32	163.4	-63.9	-48.7	0	0	0	112.2	I481	D479-I481 PolarHBondContact O-N 2.8Å
480	S	76.9	Confident	88.1	Confident	16 Å²	16	47 Å²	47	11%	0.112	25%	0.251	C	S	.	.			trans	-67.5	118.9	-175.4	174.4	0	0	0	0	110.7	S478 T482 L483 N484 Q537	S478-S480 PolarHBondContact O-N 2.82Å; S480-T482 PolarHBondContact O-N 2.85Å; S480-T482 WeakPolarHBondContact OG-CB 3.24Å; S480-T482 PolarHBondContact OG-N 3.02Å; S480-T482 VanDerWaalsContact OG-N 3.15Å; S480-L483 PolarHBondContact O-N 2.93Å; S480-L483 VanDerWaalsContact O-N 3.13Å; S480-L483 PolarHBondContact OG-N 3.18Å; S480-N484 PolarHBondContact O-N 3.45Å; S480-N484 PolarHBondContact O-ND2 2.87Å; S480-Q537 PolarHBondContact OG-OE1 3.38Å
481	I	83.6	Confident	87.6	Confident	134 Å²	134	45.2 Å²	45.2	69%	0.687	25%	0.245	S	C	*	.	H	α-helix	trans	-54.1	-35.4	169.6	-57.3	173.1	0	0	0	110.1	D479 N484 S485	D479-I481 PolarHBondContact O-N 2.8Å; I481-N484 PolarHBondContact O-N 2.94Å; I481-S485 WeakPolarHBondContact O-CB 3.44Å; I481-S485 PolarHBondContact O-N 3.29Å; I481-S485 PolarHBondContact O-OG 3.08Å; I481-S485 VanDerWaalsContact O-OG 3.08Å
482	T	86.4	Confident	86.8	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-45.3	178.1	-47	0	0	0	0	112.2	S480 S485 I486 L530 A533 V534 Q537	S480-T482 PolarHBondContact O-N 2.85Å; S480-T482 WeakPolarHBondContact OG-CB 3.24Å; S480-T482 PolarHBondContact OG-N 3.02Å; S480-T482 VanDerWaalsContact OG-N 3.15Å; T482-S485 WeakPolarHBondContact O-CB 3.38Å; T482-S485 PolarHBondContact O-N 2.81Å; T482-I486 HydrophobicContact CG2-CD1 4.19Å; T482-I486 VanDerWaalsContact O-CG1 3.31Å; T482-I486 WeakPolarHBondContact O-CG1 3.41Å; T482-I486 PolarHBondContact O-N 2.73Å; T482-L530 HydrophobicContact CG2-CB 4.46Å; T482-L530 HydrophobicContact CG2-CD2 4.46Å; T482-A533 HydrophobicContact CG2-CB 4.06Å; T482-A533 WeakPolarHBondContact OG1-CB 3.28Å; T482-V534 HydrophobicContact CG2-CG2 3.92Å; T482-Q537 PolarHBondContact OG1-OE1 3.04Å
483	L	86.1	Confident	86.5	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-72.4	-34.6	178.4	-75	167.6	0	0	0	112.2	M475 S478 S480 I486 R487 I538	M475-L483 HydrophobicContact CE-CD2 3.99Å; M475-L483 HydrophobicContact CG-CD1 4.37Å; M475-L483 HydrophobicContact CG-CD2 4.38Å; S478-L483 VanDerWaalsContact OG-CD1 3.24Å; S478-L483 WeakPolarHBondContact OG-CD1 3.23Å; S480-L483 PolarHBondContact O-N 2.93Å; S480-L483 VanDerWaalsContact O-N 3.13Å; S480-L483 PolarHBondContact OG-N 3.18Å; L483-I486 HydrophobicContact CD2-CD1 4.39Å; L483-I486 PolarHBondContact O-N 2.71Å; L483-R487 WeakPolarHBondContact O-CB 3.49Å; L483-R487 PolarHBondContact O-N 2.94Å; L483-I538 HydrophobicContact CD2-CD1 3.97Å; L483-I538 HydrophobicContact CG-CD1 4.31Å
484	N	87.2	Confident	86.2	Confident	91 Å²	91	53.6 Å²	53.6	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-40.1	170.9	-76.6	-48	0	0	0	112.1	S480 I481 R487 S488	S480-N484 PolarHBondContact O-N 3.45Å; S480-N484 PolarHBondContact O-ND2 2.87Å; I481-N484 PolarHBondContact O-N 2.94Å; N484-R487 PolarHBondContact O-N 2.86Å; N484-S488 PolarHBondContact O-N 2.83Å
485	S	90.2	Very high	86.1	Confident	45 Å²	45	53.6 Å²	53.6	32%	0.315	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-49.5	170.6	-68.2	0	0	0	0	111.4	I481 T482 R487 S488 L489	I481-S485 WeakPolarHBondContact O-CB 3.44Å; I481-S485 PolarHBondContact O-N 3.29Å; I481-S485 PolarHBondContact O-OG 3.08Å; I481-S485 VanDerWaalsContact O-OG 3.08Å; T482-S485 WeakPolarHBondContact O-CB 3.38Å; T482-S485 PolarHBondContact O-N 2.81Å; S485-R487 VanDerWaalsContact C-N 3.34Å; S485-R487 PolarHBondContact O-N 3.29Å; S485-S488 CarbonylContact O-C 3.03Å; S485-S488 WeakPolarHBondContact O-CA 3.47Å; S485-S488 VanDerWaalsContact O-CB 3.28Å; S485-S488 WeakPolarHBondContact O-CB 3.36Å; S485-S488 PolarHBondContact O-N 2.98Å; S485-L489 WeakPolarHBondContact O-CG 3.47Å; S485-L489 PolarHBondContact O-N 2.89Å
486	I	89.9	Confident	86.1	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-42.4	177.8	-68.4	161.4	0	0	0	111.6	T482 L483 S488 L489 L490 L527 L530 V534 L547 T706	T482-I486 HydrophobicContact CG2-CD1 4.19Å; T482-I486 VanDerWaalsContact O-CG1 3.31Å; T482-I486 WeakPolarHBondContact O-CG1 3.41Å; T482-I486 PolarHBondContact O-N 2.73Å; L483-I486 HydrophobicContact CD2-CD1 4.39Å; L483-I486 PolarHBondContact O-N 2.71Å; I486-S488 PolarHBondContact O-N 3.37Å; I486-L489 WeakPolarHBondContact O-CB 3.49Å; I486-L489 PolarHBondContact O-N 3.33Å; I486-L489 VanDerWaalsContact O-N 3.1Å; I486-L490 HydrophobicContact CG2-CD1 4.42Å; I486-L490 PolarHBondContact O-N 3.34Å; I486-L490 VanDerWaalsContact O-N 3.12Å; I486-L527 HydrophobicContact CG1-CD2 4.35Å; I486-L530 HydrophobicContact CG1-CD1 4.03Å; I486-V534 HydrophobicContact CD1-CG2 4.41Å; I486-L547 HydrophobicContact CD1-CD1 3.78Å; I486-L547 HydrophobicContact CD1-CD2 4Å; I486-L547 HydrophobicContact CG2-CD2 4.41Å; I486-T706 HydrophobicContact CG2-CG2 4.14Å
487	R	89.6	Confident	86.2	Confident	61 Å²	61	52.1 Å²	52.1	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-35.7	172.7	178.1	177.3	-86.7	-151.8	-8.1	111.6	L483 N484 S485 S491 L710 E714	L483-R487 WeakPolarHBondContact O-CB 3.49Å; L483-R487 PolarHBondContact O-N 2.94Å; N484-R487 PolarHBondContact O-N 2.86Å; S485-R487 VanDerWaalsContact C-N 3.34Å; S485-R487 PolarHBondContact O-N 3.29Å; R487-S491 PolarHBondContact O-N 2.92Å; R487-L710 HydrophobicContact CB-CD1 4.24Å; R487-L710 PolarHBondContact NH2-O 3.08Å; R487-E714 IonicContact CZ-OE2 3.91Å; R487-E714 IonicContact NH1-OE1 3.48Å; R487-E714 IonicContact NH1-OE2 2.87Å; R487-E714 PolarHBondContact NH1-OE2 2.77Å; R487-E714 IonicContact NH2-OE2 3.14Å; R487-E714 PolarHBondContact NH2-OE2 2.93Å
488	S	90.5	Very high	86.4	Confident	76 Å²	76	47.9 Å²	47.9	53%	0.531	26%	0.259	S	S	.	.	H	α-helix	trans	-72.5	-34.8	172.1	-163.2	0	0	0	0	113.3	N484 S485 I486 L490 S491	N484-S488 PolarHBondContact O-N 2.83Å; S485-S488 CarbonylContact O-C 3.03Å; S485-S488 WeakPolarHBondContact O-CA 3.47Å; S485-S488 VanDerWaalsContact O-CB 3.28Å; S485-S488 WeakPolarHBondContact O-CB 3.36Å; S485-S488 PolarHBondContact O-N 2.98Å; I486-S488 PolarHBondContact O-N 3.37Å; S488-L490 VanDerWaalsContact C-N 3.29Å; S488-L490 PolarHBondContact O-N 3.05Å; S488-S491 WeakPolarHBondContact O-CB 3.35Å; S488-S491 PolarHBondContact O-N 3.2Å; S488-S491 PolarHBondContact O-OG 3.21Å
489	L	90.8	Very high	87	Confident	23 Å²	23	46.3 Å²	46.3	12%	0.12	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-33.3	176.4	-62.9	-169.1	0	0	0	112.5	S485 I486 S491 L493 L523 E526 L527 L530	S485-L489 WeakPolarHBondContact O-CG 3.47Å; S485-L489 PolarHBondContact O-N 2.89Å; I486-L489 WeakPolarHBondContact O-CB 3.49Å; I486-L489 PolarHBondContact O-N 3.33Å; I486-L489 VanDerWaalsContact O-N 3.1Å; L489-S491 VanDerWaalsContact C-N 3.34Å; L489-L493 WeakPolarHBondContact O-CD2 3.33Å; L489-L493 WeakPolarHBondContact O-CG 3.41Å; L489-L523 HydrophobicContact CB-CD2 4.06Å; L489-E526 HydrophobicContact CD1-CB 4.19Å; L489-E526 HydrophobicContact CD2-CB 4.11Å; L489-E526 WeakPolarHBondContact CD2-OE2 3.45Å; L489-L527 HydrophobicContact CD1-CD2 3.74Å; L489-L527 HydrophobicContact CD1-CG 3.97Å; L489-L530 HydrophobicContact CD1-CD1 4.12Å
490	L	89.6	Confident	88.1	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-77.5	-19	176.4	-66.8	169.6	0	0	0	112.9	T444 I486 S488 L493 L703 T706 D707 L710	T444-L490 HydrophobicContact CG2-CB 4.33Å; T444-L490 HydrophobicContact CG2-CD2 4.17Å; I486-L490 HydrophobicContact CG2-CD1 4.42Å; I486-L490 PolarHBondContact O-N 3.34Å; I486-L490 VanDerWaalsContact O-N 3.12Å; S488-L490 VanDerWaalsContact C-N 3.29Å; S488-L490 PolarHBondContact O-N 3.05Å; L490-L493 HydrophobicContact CD2-CD1 4.06Å; L490-L703 HydrophobicContact CD2-CB 4.26Å; L490-L703 HydrophobicContact CD2-CD2 4.2Å; L490-T706 HydrophobicContact CD1-CG2 4.44Å; L490-D707 HydrophobicContact CD1-CB 4.12Å; L490-L710 HydrophobicContact CD1-CD1 3.62Å
491	S	85.3	Confident	88.8	Confident	34 Å²	34	38.1 Å²	38.1	24%	0.238	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	142.2	174.3	78	0	0	0	0	111.4	R487 S488 L489 L493	R487-S491 PolarHBondContact O-N 2.92Å; S488-S491 WeakPolarHBondContact O-CB 3.35Å; S488-S491 PolarHBondContact O-N 3.2Å; S488-S491 PolarHBondContact O-OG 3.21Å; L489-S491 VanDerWaalsContact C-N 3.34Å; S491-L493 PolarHBondContact O-N 3.33Å
492	H	78.8	Confident	89.2	Confident	178 Å²	178	31.9 Å²	31.9	82%	0.824	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	24.2	179.6	-48	-80.9	0	0	0	115.6
493	L	88.2	Confident	89.5	Confident	15 Å²	15	31.6 Å²	31.6	8%	0.079	17%	0.17	C	C	.	.			trans	-76	140.4	169.1	-66.1	-176.7	0	0	0	111.7	T444 F446 L489 L490 S491 L496 L523	T444-L493 HydrophobicContact CG2-CB 4.41Å; T444-L493 HydrophobicContact CG2-CD1 4.18Å; F446-L493 HydrophobicContact CZ-CD1 4.23Å; L489-L493 WeakPolarHBondContact O-CD2 3.33Å; L489-L493 WeakPolarHBondContact O-CG 3.41Å; L490-L493 HydrophobicContact CD2-CD1 4.06Å; S491-L493 PolarHBondContact O-N 3.33Å; L493-L496 HydrophobicContact CD1-CD1 4.33Å; L493-L523 HydrophobicContact CD1-CD1 3.87Å; L493-L523 HydrophobicContact CD1-CD2 4.27Å; L493-L523 HydrophobicContact CD2-CD1 3.85Å; L493-L523 HydrophobicContact CD2-CD2 4.18Å; L493-L523 HydrophobicContact CD2-CG 4.17Å
494	P	89.2	Confident	89.8	Confident	33 Å²	33	32.1 Å²	32.1	21%	0.214	17%	0.171	C	C	.	.			trans	-70.8	173.2	167.8	32.7	-35.6	0	0	0	111	L496 L515 I516	P494-L496 VanDerWaalsContact C-N 3.25Å; P494-L496 HydrophobicContact CG-CD2 3.92Å; P494-L496 PolarHBondContact O-N 2.97Å; P494-L515 HydrophobicContact CB-CD2 4.42Å; P494-L515 HydrophobicContact CG-CG 4.39Å; P494-I516 HydrophobicContact CB-CD1 4.32Å; P494-I516 HydrophobicContact CG-CD1 4.07Å
495	D	89.9	Confident	90	Very high	28 Å²	28	28.3 Å²	28.3	15%	0.15	15%	0.15	C	C	.	.			trans	-70.6	82.2	170.8	-165.8	-22	0	0	0	110.6	P445 R449 E497 R498 G499	P445-D495 HydrophobicContact CB-CB 4.21Å; P445-D495 HydrophobicContact CG-CB 4.11Å; R449-D495 IonicContact CZ-OD1 3.64Å; R449-D495 IonicContact CZ-OD2 2.73Å; R449-D495 IonicContact NH1-OD1 3.78Å; R449-D495 IonicContact NH1-OD2 3.83Å; R449-D495 PolarHBondContact NH1-OD2 2.95Å; R449-D495 IonicContact NH2-OD1 3.93Å; R449-D495 PolarHBondContact NH2-OD1 3.03Å; R449-D495 IonicContact NH2-OD2 2.98Å; R449-D495 PolarHBondContact NH2-OD2 2.93Å; D495-E497 PolarHBondContact O-N 2.92Å; D495-E497 PolarHBondContact OD1-N 2.85Å; D495-R498 HydrophobicContact CB-CB 4.23Å; D495-R498 PolarHBondContact O-N 3.13Å; D495-R498 PolarHBondContact OD1-N 3.02Å; D495-R498 VanDerWaalsContact OD1-N 3.11Å; D495-R498 VanDerWaalsContact OD2-CD 3.31Å; D495-R498 WeakPolarHBondContact OD2-CD 3.22Å; D495-R498 WeakPolarHBondContact OD2-CG 3.26Å; D495-R498 IonicContact OD2-CZ 3.37Å; D495-R498 IonicContact OD2-NE 3.4Å; D495-R498 IonicContact OD2-NH1 2.69Å; D495-R498 PolarHBondContact OD2-NH1 3.36Å; D495-R498 VanDerWaalsContact OD2-NH1 3.13Å; D495-G499 PolarHBondContact O-N 3.1Å
496	L	92.3	Very high	90	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-36.8	-178.2	-64.8	174.6	0	0	0	112.3	F446 L493 P494 G499 I500 I516 L520 L523 I700	F446-L496 HydrophobicContact CD1-CB 4.4Å; F446-L496 HydrophobicContact CE1-CB 3.86Å; F446-L496 HydrophobicContact CE1-CD1 4.1Å; F446-L496 HydrophobicContact CE1-CG 4.01Å; F446-L496 HydrophobicContact CZ-CD1 4.07Å; F446-L496 HydrophobicContact CZ-CG 4.48Å; L493-L496 HydrophobicContact CD1-CD1 4.33Å; P494-L496 VanDerWaalsContact C-N 3.25Å; P494-L496 HydrophobicContact CG-CD2 3.92Å; P494-L496 PolarHBondContact O-N 2.97Å; L496-G499 PolarHBondContact O-N 3.44Å; L496-I500 WeakPolarHBondContact O-CG1 3.35Å; L496-I500 PolarHBondContact O-N 3.09Å; L496-I516 HydrophobicContact CD2-CD1 4.2Å; L496-I516 HydrophobicContact CD2-CG2 4.42Å; L496-L520 HydrophobicContact CD1-CD2 4.1Å; L496-L520 HydrophobicContact CD2-CD2 4.13Å; L496-L520 HydrophobicContact CD2-CG 4.23Å; L496-L523 HydrophobicContact CD1-CD1 3.68Å; L496-I700 HydrophobicContact CB-CD1 3.76Å; L496-I700 HydrophobicContact CB-CG1 4.03Å
497	E	91.2	Very high	90	Very high	26 Å²	26	29 Å²	29	12%	0.121	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-48.2	-179.7	-175.8	173.8	-129.3	0	0	111	T273 F446 R449 D495 G499 I500 C501 I700	T273-E497 HydrophobicContact CG2-CG 4.21Å; F446-E497 HydrophobicContact CB-CB 4.21Å; R449-E497 IonicContact CZ-OE2 3.09Å; R449-E497 IonicContact NE-OE2 2.69Å; R449-E497 PolarHBondContact NE-OE2 2.99Å; R449-E497 IonicContact NH2-OE2 2.7Å; R449-E497 PolarHBondContact NH2-OE2 3.37Å; D495-E497 PolarHBondContact O-N 2.92Å; D495-E497 PolarHBondContact OD1-N 2.85Å; E497-G499 VanDerWaalsContact C-N 3.33Å; E497-G499 PolarHBondContact O-N 3Å; E497-I500 WeakPolarHBondContact O-CG1 3.41Å; E497-C501 PolarHBondContact O-N 2.83Å; E497-C501 PolarHBondContact O-SG 2.82Å; E497-I700 HydrophobicContact CB-CG2 4.08Å
498	R	89.8	Confident	90.1	Very high	31 Å²	31	26.1 Å²	26.1	12%	0.117	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-38.7	173.7	-73.4	-168.4	168.4	124.2	-14.3	112.8	D242 P243 S272 T273 D495 C501 S502	D242-R498 IonicContact OD1-CZ 2.68Å; D242-R498 IonicContact OD1-NH1 2.71Å; D242-R498 PolarHBondContact OD1-NH1 3.34Å; P243-R498 PolarHBondContact O-NH2 2.95Å; S272-R498 VanDerWaalsContact O-CA 3.31Å; S272-R498 WeakPolarHBondContact O-CA 3.37Å; S272-R498 WeakPolarHBondContact O-CG 3.38Å; S272-R498 PolarHBondContact OG-NE 3.21Å; T273-R498 HydrophobicContact CG2-CG 4.16Å; D495-R498 HydrophobicContact CB-CB 4.23Å; D495-R498 PolarHBondContact O-N 3.13Å; D495-R498 PolarHBondContact OD1-N 3.02Å; D495-R498 VanDerWaalsContact OD1-N 3.11Å; D495-R498 VanDerWaalsContact OD2-CD 3.31Å; D495-R498 WeakPolarHBondContact OD2-CD 3.22Å; D495-R498 WeakPolarHBondContact OD2-CG 3.26Å; D495-R498 IonicContact OD2-CZ 3.37Å; D495-R498 IonicContact OD2-NE 3.4Å; D495-R498 IonicContact OD2-NH1 2.69Å; D495-R498 PolarHBondContact OD2-NH1 3.36Å; D495-R498 VanDerWaalsContact OD2-NH1 3.13Å; R498-C501 PolarHBondContact O-N 3.08Å; R498-S502 PolarHBondContact O-N 3.43Å
499	G	90.5	Very high	90.1	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-53.4	176.2	0	0	0	0	0	113	D495 L496 E497 C501 S502 I503	D495-G499 PolarHBondContact O-N 3.1Å; L496-G499 PolarHBondContact O-N 3.44Å; E497-G499 VanDerWaalsContact C-N 3.33Å; E497-G499 PolarHBondContact O-N 3Å; G499-C501 PolarHBondContact O-N 3.27Å; G499-S502 WeakPolarHBondContact O-CB 3.39Å; G499-S502 PolarHBondContact O-N 3.41Å; G499-I503 VanDerWaalsContact O-CG1 3.28Å; G499-I503 WeakPolarHBondContact O-CG1 3.32Å; G499-I503 PolarHBondContact O-N 2.97Å; G499-I503 VanDerWaalsContact O-N 3.1Å
500	I	93.3	Very high	90.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-26.8	179.1	64.6	162.4	0	0	0	112.7	L496 E497 Y504 I516 L520 F689 Y693 M696 K697 I700	L496-I500 WeakPolarHBondContact O-CG1 3.35Å; L496-I500 PolarHBondContact O-N 3.09Å; E497-I500 WeakPolarHBondContact O-CG1 3.41Å; I500-Y504 VanDerWaalsContact O-CB 3.25Å; I500-Y504 WeakPolarHBondContact O-CB 3.19Å; I500-Y504 PolarHBondContact O-N 3.48Å; I500-I516 HydrophobicContact CG2-CG2 4Å; I500-L520 HydrophobicContact CG2-CD1 3.86Å; I500-F689 HydrophobicContact CG2-CE1 4.32Å; I500-Y693 HydrophobicContact CB-CD2 4.35Å; I500-Y693 HydrophobicContact CD1-CD2 3.8Å; I500-Y693 HydrophobicContact CD1-CE2 3.81Å; I500-Y693 HydrophobicContact CG1-CD2 4.12Å; I500-Y693 HydrophobicContact CG1-CE2 4.02Å; I500-M696 HydrophobicContact CD1-CB 4.37Å; I500-K697 HydrophobicContact CD1-CB 3.78Å; I500-I700 HydrophobicContact CD1-CD1 3.63Å; I500-I700 HydrophobicContact CG1-CD1 4Å; I500-I700 HydrophobicContact CG2-CD1 4.26Å
501	C	92.1	Very high	90.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.8	-44.1	173.6	-64.7	0	0	0	0	112.3	S272 T273 E497 R498 G499 I503 Y504 H505	S272-C501 WeakPolarHBondContact O-CB 3.08Å; T273-C501 PolarHBondContact O-SG 3.42Å; E497-C501 PolarHBondContact O-N 2.83Å; E497-C501 PolarHBondContact O-SG 2.82Å; R498-C501 PolarHBondContact O-N 3.08Å; G499-C501 PolarHBondContact O-N 3.27Å; C501-I503 PolarHBondContact O-N 3.01Å; C501-Y504 PolarHBondContact O-N 3.46Å; C501-H505 PolarHBondContact O-CD2 2.98Å; C501-H505 PolarHBondContact O-N 3.03Å
502	S	91.8	Very high	90.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-54.5	-40.8	173	-172.1	0	0	0	0	111.5	R498 G499 K507 S508 E512	R498-S502 PolarHBondContact O-N 3.43Å; G499-S502 WeakPolarHBondContact O-CB 3.39Å; G499-S502 PolarHBondContact O-N 3.41Å; S502-K507 PolarHBondContact O-N 3.08Å; S502-S508 PolarHBondContact O-N 2.95Å; S502-E512 VanDerWaalsContact CB-OE1 3.29Å; S502-E512 WeakPolarHBondContact CB-OE1 3.21Å; S502-E512 PolarHBondContact OG-OE1 3.37Å; S502-E512 PolarHBondContact OG-OE2 2.92Å
503	I	93.1	Very high	91.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.5	-49.2	175.6	-63.5	166.9	0	0	0	111.4	G499 C501 H505 G506 F513 I516 L686 F689	G499-I503 VanDerWaalsContact O-CG1 3.28Å; G499-I503 WeakPolarHBondContact O-CG1 3.32Å; G499-I503 PolarHBondContact O-N 2.97Å; G499-I503 VanDerWaalsContact O-N 3.1Å; C501-I503 PolarHBondContact O-N 3.01Å; I503-H505 VanDerWaalsContact C-N 3.26Å; I503-H505 PolarHBondContact O-N 3.32Å; I503-G506 WeakPolarHBondContact O-CA 3.37Å; I503-G506 PolarHBondContact O-N 3.4Å; I503-F513 HydrophobicContact CD1-CB 4.47Å; I503-F513 HydrophobicContact CD1-CD2 3.7Å; I503-F513 HydrophobicContact CD1-CE2 4.24Å; I503-F513 HydrophobicContact CD1-CG 4.31Å; I503-F513 HydrophobicContact CG1-CD2 3.82Å; I503-F513 HydrophobicContact CG2-CD2 3.88Å; I503-F513 HydrophobicContact CG2-CE2 3.88Å; I503-I516 HydrophobicContact CD1-CB 4.19Å; I503-I516 HydrophobicContact CD1-CG2 4.05Å; I503-L686 HydrophobicContact CG2-CD2 3.93Å; I503-F689 HydrophobicContact CB-CD1 4.33Å; I503-F689 HydrophobicContact CB-CE1 4.36Å; I503-F689 HydrophobicContact CD1-CE1 4.07Å; I503-F689 HydrophobicContact CD1-CZ 4.35Å; I503-F689 HydrophobicContact CG2-CB 4.25Å; I503-F689 HydrophobicContact CG2-CD1 3.28Å; I503-F689 HydrophobicContact CG2-CE1 3.74Å; I503-F689 HydrophobicContact CG2-CG 3.95Å
504	Y	93.1	Very high	91.5	Very high	22 Å²	22	16.4 Å²	16.4	9%	0.086	9%	0.086	C	C	.	.	H	α-helix	trans	-60.7	-31.6	179.4	-179.6	-111.1	0	0	0	113.4	R392 I500 C501 G506 Y693	R392-Y504 HydrophobicContact CB-CD1 4.21Å; R392-Y504 HydrophobicContact CB-CE1 3.65Å; R392-Y504 WeakPolarHBondContact CD-O 3.48Å; R392-Y504 PolarHBondContact NH1-O 2.69Å; R392-Y504 PolarHBondContact O-OH 2.69Å; I500-Y504 VanDerWaalsContact O-CB 3.25Å; I500-Y504 WeakPolarHBondContact O-CB 3.19Å; I500-Y504 PolarHBondContact O-N 3.48Å; C501-Y504 PolarHBondContact O-N 3.46Å; Y504-G506 VanDerWaalsContact C-N 3.26Å; Y504-G506 PolarHBondContact O-N 3.42Å; Y504-Y693 HydrophobicContact CD1-CD1 4.12Å; Y504-Y693 HydrophobicContact CD1-CE1 4.18Å; Y504-Y693 HydrophobicContact CD1-CG 4.32Å; Y504-Y693 AromaticContact CD2-CD1 3.84Å; Y504-Y693 HydrophobicContact CD2-CD1 3.84Å; Y504-Y693 HydrophobicContact CD2-CD2 4.28Å; Y504-Y693 AromaticContact CD2-CG 3.62Å; Y504-Y693 HydrophobicContact CD2-CG 3.62Å; Y504-Y693 HydrophobicContact CE1-CD1 4.12Å; Y504-Y693 HydrophobicContact CE1-CE1 4.17Å; Y504-Y693 AromaticContact CE2-CD1 3.84Å; Y504-Y693 HydrophobicContact CE2-CD1 3.84Å; Y504-Y693 HydrophobicContact CE2-CG 4.07Å; Y504-Y693 AromaticContact CG-CD1 3.98Å; Y504-Y693 HydrophobicContact CG-CD1 3.98Å; Y504-Y693 AromaticContact CG-CD2 4Å; Y504-Y693 HydrophobicContact CG-CD2 4Å; Y504-Y693 HydrophobicContact CG-CE1 4.43Å; Y504-Y693 HydrophobicContact CG-CE2 4.46Å; Y504-Y693 AromaticContact CG-CG 3.76Å; Y504-Y693 HydrophobicContact CG-CG 3.76Å; Y504-Y693 AromaticContact CZ-CD1 3.99Å
505	H	91	Very high	91.7	Very high	11 Å²	11	18.1 Å²	18.1	5%	0.051	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8	171.8	-71.6	-61.3	0	0	0	114.3	P271 L390 C501 I503 K507	P271-H505 PolarHBondContact O-NE2 2.95Å; L390-H505 HydrophobicContact CD2-CB 4.26Å; L390-H505 PolarHBondContact O-CE1 2.83Å; C501-H505 PolarHBondContact O-CD2 2.98Å; C501-H505 PolarHBondContact O-N 3.03Å; I503-H505 VanDerWaalsContact C-N 3.26Å; I503-H505 PolarHBondContact O-N 3.32Å; H505-K507 VanDerWaalsContact C-N 3.27Å; H505-K507 HydrophobicContact CB-CD 4.33Å; H505-K507 HydrophobicContact CB-CG 4.2Å; H505-K507 PolarHBondContact O-N 2.7Å
506	G	91	Very high	91.9	Very high	20 Å²	20	17 Å²	17	21%	0.206	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	15.3	-175.8	0	0	0	0	0	114.4	I503 Y504	I503-G506 WeakPolarHBondContact O-CA 3.37Å; I503-G506 PolarHBondContact O-N 3.4Å; Y504-G506 VanDerWaalsContact C-N 3.26Å; Y504-G506 PolarHBondContact O-N 3.42Å
507	K	89.9	Confident	92	Very high	42 Å²	42	17 Å²	17	18%	0.183	9%	0.086	C	C	.	.			trans	-107.2	1.3	-171.5	-64	-175.7	179.5	177.6	0	114.7	V218 G219 E220 F388 N389 L390 S502 H505	V218-K507 HydrophobicContact CG1-CD 4.4Å; V218-K507 WeakPolarHBondContact O-CD 3.41Å; G219-K507 WeakPolarHBondContact CA-O 3.25Å; E220-K507 PolarHBondContact N-O 2.86Å; F388-K507 PolarHBondContact O-NZ 2.75Å; N389-K507 VanDerWaalsContact O-CE 3.27Å; N389-K507 WeakPolarHBondContact O-CE 3.43Å; N389-K507 PolarHBondContact O-NZ 3.31Å; N389-K507 VanDerWaalsContact O-NZ 3.14Å; L390-K507 HydrophobicContact CD2-CD 4.24Å; L390-K507 VanDerWaalsContact CD2-NZ 3.26Å; S502-K507 PolarHBondContact O-N 3.08Å; H505-K507 VanDerWaalsContact C-N 3.27Å; H505-K507 HydrophobicContact CB-CD 4.33Å; H505-K507 HydrophobicContact CB-CG 4.2Å; H505-K507 PolarHBondContact O-N 2.7Å
508	S	90.8	Very high	92.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	9%	0.092	C	C	.	.			trans	-75.6	143.5	-176.8	-169.5	0	0	0	0	113.2	S502 E512 F513 W682	S502-S508 PolarHBondContact O-N 2.95Å; S508-E512 VanDerWaalsContact CA-OE2 3.23Å; S508-E512 WeakPolarHBondContact CA-OE2 3.34Å; S508-E512 VanDerWaalsContact CB-OE2 3.24Å; S508-E512 WeakPolarHBondContact CB-OE2 3.12Å; S508-E512 VanDerWaalsContact OG-CD 3.31Å; S508-E512 PolarHBondContact OG-OE2 3.42Å; S508-F513 PolarHBondContact OG-N 2.89Å; S508-W682 PolarHBondContact O-NE1 3.36Å
509	S	91.2	Very high	92.2	Very high	14 Å²	14	16.3 Å²	16.3	10%	0.098	9%	0.089	C	C	.	.			trans	-76.7	160.2	171.2	71.9	0	0	0	0	111.5	E220 Q511 E512 F513	E220-S509 VanDerWaalsContact OE2-CA 3.28Å; E220-S509 WeakPolarHBondContact OE2-CA 3.05Å; E220-S509 VanDerWaalsContact OE2-CB 3.28Å; E220-S509 WeakPolarHBondContact OE2-CB 3.49Å; S509-Q511 PolarHBondContact O-N 3.42Å; S509-E512 PolarHBondContact O-N 3.4Å; S509-E512 WeakPolarHBondContact OG-CB 3.4Å; S509-E512 PolarHBondContact OG-N 2.96Å; S509-F513 WeakPolarHBondContact O-CB 3.03Å; S509-F513 PolarHBondContact O-N 3.07Å
510	T	92.2	Very high	92.4	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-62.6	-27.2	174.5	63.9	0	0	0	0	112.6	F514 A569 G572 K574 L577 W682	T510-F514 VanDerWaalsContact O-CB 3.26Å; T510-F514 WeakPolarHBondContact O-CB 3.17Å; T510-F514 PolarHBondContact O-N 2.98Å; T510-F514 VanDerWaalsContact O-N 3.11Å; T510-A569 CarbonylContact C-O 3.55Å; T510-A569 PolarHBondContact OG1-O 3.01Å; T510-G572 WeakPolarHBondContact OG1-CA 3.38Å; T510-K574 HydrophobicContact CG2-CD 4.44Å; T510-K574 HydrophobicContact CG2-CG 3.7Å; T510-L577 HydrophobicContact CG2-CD1 4.22Å; T510-L577 HydrophobicContact CG2-CD2 3.73Å; T510-W682 HydrophobicContact CG2-CD2 4.36Å; T510-W682 HydrophobicContact CG2-CE3 4.49Å; T510-W682 HydrophobicContact CG2-CH2 4.04Å; T510-W682 HydrophobicContact CG2-CZ2 3.88Å; T510-W682 HydrophobicContact CG2-CZ3 4.35Å
511	Q	91.5	Very high	92.5	Very high	63 Å²	63	16.5 Å²	16.5	29%	0.294	9%	0.09	S	C	.	.	H	α-helix	trans	-74.9	-45	179.4	-60.2	-179.1	28.8	0	0	110.8	V225 S509 L515 A569	V225-Q511 HydrophobicContact CB-CB 4.37Å; V225-Q511 HydrophobicContact CG2-CB 4.06Å; S509-Q511 PolarHBondContact O-N 3.42Å; Q511-L515 WeakPolarHBondContact O-CB 3.43Å; Q511-L515 PolarHBondContact O-N 2.88Å; Q511-A569 VanDerWaalsContact CG-O 3.24Å; Q511-A569 WeakPolarHBondContact CG-O 3.32Å; Q511-A569 PolarHBondContact N-O 3.39Å
512	E	91.1	Very high	92.6	Very high	22 Å²	22	21.6 Å²	21.6	10%	0.103	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-50.9	175.8	-178.3	-171.2	-149.8	0	0	110.3	V225 S502 S508 S509 F514 L515 I516	V225-E512 HydrophobicContact CG2-CB 3.92Å; S502-E512 VanDerWaalsContact CB-OE1 3.29Å; S502-E512 WeakPolarHBondContact CB-OE1 3.21Å; S502-E512 PolarHBondContact OG-OE1 3.37Å; S502-E512 PolarHBondContact OG-OE2 2.92Å; S508-E512 VanDerWaalsContact CA-OE2 3.23Å; S508-E512 WeakPolarHBondContact CA-OE2 3.34Å; S508-E512 VanDerWaalsContact CB-OE2 3.24Å; S508-E512 WeakPolarHBondContact CB-OE2 3.12Å; S508-E512 VanDerWaalsContact OG-CD 3.31Å; S508-E512 PolarHBondContact OG-OE2 3.42Å; S509-E512 PolarHBondContact O-N 3.4Å; S509-E512 WeakPolarHBondContact OG-CB 3.4Å; S509-E512 PolarHBondContact OG-N 2.96Å; E512-F514 VanDerWaalsContact C-N 3.31Å; E512-F514 PolarHBondContact O-N 2.87Å; E512-L515 PolarHBondContact O-N 3.38Å; E512-I516 HydrophobicContact CG-CG1 4.36Å; E512-I516 VanDerWaalsContact O-CG1 3.28Å; E512-I516 WeakPolarHBondContact O-CG1 3.49Å; E512-I516 PolarHBondContact O-N 3.12Å
513	F	93.8	Very high	92.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53.4	-48.5	176	-176.8	-78.5	0	0	0	111.6	I503 S508 S509 I516 C517 F560 L564 W682 F685 L686 F689	I503-F513 HydrophobicContact CD1-CB 4.47Å; I503-F513 HydrophobicContact CD1-CD2 3.7Å; I503-F513 HydrophobicContact CD1-CE2 4.24Å; I503-F513 HydrophobicContact CD1-CG 4.31Å; I503-F513 HydrophobicContact CG1-CD2 3.82Å; I503-F513 HydrophobicContact CG2-CD2 3.88Å; I503-F513 HydrophobicContact CG2-CE2 3.88Å; S508-F513 PolarHBondContact OG-N 2.89Å; S509-F513 WeakPolarHBondContact O-CB 3.03Å; S509-F513 PolarHBondContact O-N 3.07Å; F513-I516 PolarHBondContact O-N 3.47Å; F513-C517 HydrophobicContact CD1-CB 4.04Å; F513-C517 HydrophobicContact CE1-CB 3.74Å; F513-C517 HydrophobicContact CZ-CB 4.38Å; F513-C517 WeakPolarHBondContact O-CB 3.38Å; F513-C517 PolarHBondContact O-N 3.38Å; F513-F560 HydrophobicContact CZ-CB 4.21Å; F513-L564 HydrophobicContact CD1-CD1 3.7Å; F513-L564 HydrophobicContact CE1-CD1 3.59Å; F513-W682 HydrophobicContact CB-CH2 3.62Å; F513-W682 HydrophobicContact CB-CZ2 4.09Å; F513-W682 HydrophobicContact CD1-CH2 4.18Å; F513-W682 HydrophobicContact CD2-CH2 4.09Å; F513-W682 AromaticContact CG-CH2 3.69Å; F513-W682 HydrophobicContact CG-CH2 3.69Å; F513-W682 HydrophobicContact CG-CZ2 4.49Å; F513-W682 HydrophobicContact CG-CZ3 4.49Å; F513-F685 AromaticContact CE1-CE1 3.74Å; F513-F685 HydrophobicContact CE1-CE1 3.74Å; F513-F685 HydrophobicContact CE1-CZ 4.46Å; F513-F685 HydrophobicContact CE2-CE1 4.26Å; F513-F685 HydrophobicContact CZ-CD1 4.28Å; F513-F685 AromaticContact CZ-CE1 3.58Å; F513-F685 HydrophobicContact CZ-CE1 3.58Å; F513-F685 HydrophobicContact CZ-CZ 4.35Å; F513-L686 HydrophobicContact CD2-CD2 3.4Å; F513-L686 VanDerWaalsContact CD2-CD2 3.4Å; F513-L686 HydrophobicContact CE2-CD2 3.85Å; F513-L686 HydrophobicContact CG-CD2 4.33Å; F513-F689 HydrophobicContact CE2-CB 4.07Å; F513-F689 HydrophobicContact CE2-CD1 4.38Å; F513-F689 AromaticContact CE2-CD2 3.77Å; F513-F689 HydrophobicContact CE2-CD2 3.77Å; F513-F689 HydrophobicContact CE2-CE2 4.25Å; F513-F689 AromaticContact CE2-CG 3.83Å; F513-F689 HydrophobicContact CE2-CG 3.83Å; F513-F689 HydrophobicContact CZ-CB 4.44Å; F513-F689 AromaticContact CZ-CD2 3.64Å; F513-F689 HydrophobicContact CZ-CD2 3.64Å; F513-F689 HydrophobicContact CZ-CE2 4.07Å; F513-F689 HydrophobicContact CZ-CG 4.16Å
514	F	93.3	Very high	92.7	Very high	23 Å²	23	21.9 Å²	21.9	10%	0.101	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-45.2	-179.7	-174.7	-86.3	0	0	0	111.6	T510 E512 I516 S518 L561 L564 E566 A569 K570	T510-F514 VanDerWaalsContact O-CB 3.26Å; T510-F514 WeakPolarHBondContact O-CB 3.17Å; T510-F514 PolarHBondContact O-N 2.98Å; T510-F514 VanDerWaalsContact O-N 3.11Å; E512-F514 VanDerWaalsContact C-N 3.31Å; E512-F514 PolarHBondContact O-N 2.87Å; F514-I516 PolarHBondContact O-N 3.25Å; F514-S518 WeakPolarHBondContact O-CB 3.4Å; F514-S518 PolarHBondContact O-N 2.96Å; F514-S518 PolarHBondContact O-OG 3.23Å; F514-L561 HydrophobicContact CD2-CD1 4.02Å; F514-L561 HydrophobicContact CE2-CD1 3.7Å; F514-L561 HydrophobicContact CZ-CD1 4.19Å; F514-L564 HydrophobicContact CD2-CD1 4.49Å; F514-E566 HydrophobicContact CE1-CG 4.03Å; F514-E566 HydrophobicContact CE2-CB 3.91Å; F514-E566 HydrophobicContact CE2-CG 4.25Å; F514-E566 HydrophobicContact CZ-CB 3.73Å; F514-E566 HydrophobicContact CZ-CG 3.62Å; F514-A569 HydrophobicContact CB-CB 3.87Å; F514-A569 HydrophobicContact CD2-CB 3.8Å; F514-A569 HydrophobicContact CG-CB 3.97Å; F514-K570 HydrophobicContact CD1-CG 4.47Å
515	L	92.4	Very high	92.7	Very high	68 Å²	68	25.6 Å²	25.6	36%	0.356	13%	0.134	S	C	.	.	H	α-helix	trans	-58.2	-45.8	177.3	174.2	62.2	0	0	0	112.2	V225 P494 Q511 E512 S518 S519	V225-L515 HydrophobicContact CG1-CD2 4.01Å; P494-L515 HydrophobicContact CB-CD2 4.42Å; P494-L515 HydrophobicContact CG-CG 4.39Å; Q511-L515 WeakPolarHBondContact O-CB 3.43Å; Q511-L515 PolarHBondContact O-N 2.88Å; E512-L515 PolarHBondContact O-N 3.38Å; L515-S518 PolarHBondContact O-OG 3.38Å; L515-S519 VanDerWaalsContact O-CB 3.28Å; L515-S519 WeakPolarHBondContact O-CB 3.36Å; L515-S519 PolarHBondContact O-N 3.14Å; L515-S519 PolarHBondContact O-OG 3.2Å
516	I	93.6	Very high	92.8	Very high	5 Å²	5	29 Å²	29	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-49.6	-179.2	-61	-64.1	0	0	0	110.3	P494 L496 I500 I503 E512 F513 F514 S518 S519 L520	P494-I516 HydrophobicContact CB-CD1 4.32Å; P494-I516 HydrophobicContact CG-CD1 4.07Å; L496-I516 HydrophobicContact CD2-CD1 4.2Å; L496-I516 HydrophobicContact CD2-CG2 4.42Å; I500-I516 HydrophobicContact CG2-CG2 4Å; I503-I516 HydrophobicContact CD1-CB 4.19Å; I503-I516 HydrophobicContact CD1-CG2 4.05Å; E512-I516 HydrophobicContact CG-CG1 4.36Å; E512-I516 VanDerWaalsContact O-CG1 3.28Å; E512-I516 WeakPolarHBondContact O-CG1 3.49Å; E512-I516 PolarHBondContact O-N 3.12Å; F513-I516 PolarHBondContact O-N 3.47Å; F514-I516 PolarHBondContact O-N 3.25Å; I516-S518 PolarHBondContact O-N 3.43Å; I516-S519 PolarHBondContact O-N 3.41Å; I516-S519 VanDerWaalsContact O-N 3.16Å; I516-L520 HydrophobicContact CG2-CD1 3.8Å; I516-L520 HydrophobicContact CG2-CG 4.37Å; I516-L520 VanDerWaalsContact O-CG 3.28Å; I516-L520 WeakPolarHBondContact O-CG 3.43Å; I516-L520 PolarHBondContact O-N 2.94Å
517	C	94.8	Very high	92.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-41.6	179.3	-173.7	0	0	0	0	112.3	F513 S521 A557	F513-C517 HydrophobicContact CD1-CB 4.04Å; F513-C517 HydrophobicContact CE1-CB 3.74Å; F513-C517 HydrophobicContact CZ-CB 4.38Å; F513-C517 WeakPolarHBondContact O-CB 3.38Å; F513-C517 PolarHBondContact O-N 3.38Å; C517-S521 WeakPolarHBondContact O-CB 3.22Å; C517-S521 PolarHBondContact O-N 3.39Å; C517-A557 PolarHBondContact SG-O 2.74Å
518	S	93.1	Very high	93.1	Very high	34 Å²	34	30.7 Å²	30.7	24%	0.238	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-37.9	174.4	70.2	0	0	0	0	112.2	F514 L515 I516 R522	F514-S518 WeakPolarHBondContact O-CB 3.4Å; F514-S518 PolarHBondContact O-N 2.96Å; F514-S518 PolarHBondContact O-OG 3.23Å; L515-S518 PolarHBondContact O-OG 3.38Å; I516-S518 PolarHBondContact O-N 3.43Å; S518-R522 WeakPolarHBondContact O-CB 3.45Å; S518-R522 PolarHBondContact O-N 3.38Å
519	S	93.6	Very high	93.3	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-44.1	177.3	-60.8	0	0	0	0	111.9	L515 I516 R522 L523	L515-S519 VanDerWaalsContact O-CB 3.28Å; L515-S519 WeakPolarHBondContact O-CB 3.36Å; L515-S519 PolarHBondContact O-N 3.14Å; L515-S519 PolarHBondContact O-OG 3.2Å; I516-S519 PolarHBondContact O-N 3.41Å; I516-S519 VanDerWaalsContact O-N 3.16Å; S519-R522 PolarHBondContact O-N 2.99Å; S519-L523 WeakPolarHBondContact O-CB 3.47Å; S519-L523 WeakPolarHBondContact O-CG 3.32Å; S519-L523 PolarHBondContact O-N 3.23Å
520	L	94.8	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-45.9	176.5	-66	168.2	0	0	0	111.5	L496 I500 I516 R522 L523 G524 L554 A557 F689 M696 I700	L496-L520 HydrophobicContact CD1-CD2 4.1Å; L496-L520 HydrophobicContact CD2-CD2 4.13Å; L496-L520 HydrophobicContact CD2-CG 4.23Å; I500-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CD1 3.8Å; I516-L520 HydrophobicContact CG2-CG 4.37Å; I516-L520 VanDerWaalsContact O-CG 3.28Å; I516-L520 WeakPolarHBondContact O-CG 3.43Å; I516-L520 PolarHBondContact O-N 2.94Å; L520-R522 VanDerWaalsContact C-N 3.33Å; L520-R522 PolarHBondContact O-N 2.86Å; L520-L523 PolarHBondContact O-N 3.08Å; L520-G524 PolarHBondContact O-N 2.6Å; L520-L554 HydrophobicContact CB-CD2 4.29Å; L520-L554 HydrophobicContact CD2-CD2 3.58Å; L520-L554 HydrophobicContact CG-CD2 4.49Å; L520-A557 HydrophobicContact CB-CB 3.76Å; L520-F689 HydrophobicContact CD1-CZ 4.26Å; L520-M696 HydrophobicContact CD1-SD 4.01Å; L520-I700 HydrophobicContact CD2-CD1 4.39Å; L520-I700 HydrophobicContact CD2-CG1 4.43Å
521	S	94.5	Very high	93.3	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-34.7	176.7	-177	0	0	0	0	112.5	C517 L525 H558	C517-S521 WeakPolarHBondContact O-CB 3.22Å; C517-S521 PolarHBondContact O-N 3.39Å; S521-L525 VanDerWaalsContact O-CG 3.28Å; S521-L525 WeakPolarHBondContact O-CG 3.35Å; S521-L525 PolarHBondContact O-N 2.99Å; S521-H558 PolarHBondContact OG-ND1 2.82Å; S521-H558 VanDerWaalsContact OG-ND1 3.12Å
522	R	93.6	Very high	93.3	Very high	107 Å²	107	37.8 Å²	37.8	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-65.5	-51.4	174.8	-176.9	-179	64.7	153.9	1.6	110.8	S518 S519 L520 G524 L525 E526	S518-R522 WeakPolarHBondContact O-CB 3.45Å; S518-R522 PolarHBondContact O-N 3.38Å; S519-R522 PolarHBondContact O-N 2.99Å; L520-R522 VanDerWaalsContact C-N 3.33Å; L520-R522 PolarHBondContact O-N 2.86Å; R522-G524 VanDerWaalsContact C-N 3.34Å; R522-G524 PolarHBondContact O-N 2.75Å; R522-L525 PolarHBondContact O-N 3.32Å; R522-E526 WeakPolarHBondContact CD-OE1 3.26Å; R522-E526 HydrophobicContact CG-CG 4.31Å; R522-E526 WeakPolarHBondContact CG-OE1 3.41Å; R522-E526 WeakPolarHBondContact O-CB 3.39Å; R522-E526 PolarHBondContact O-N 3.17Å
523	L	93.6	Very high	93.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-45.2	177.9	-77.7	169.2	0	0	0	112.1	L489 L493 L496 S519 L520 L525 L527 L554 L703	L489-L523 HydrophobicContact CB-CD2 4.06Å; L493-L523 HydrophobicContact CD1-CD1 3.87Å; L493-L523 HydrophobicContact CD1-CD2 4.27Å; L493-L523 HydrophobicContact CD2-CD1 3.85Å; L493-L523 HydrophobicContact CD2-CD2 4.18Å; L493-L523 HydrophobicContact CD2-CG 4.17Å; L496-L523 HydrophobicContact CD1-CD1 3.68Å; S519-L523 WeakPolarHBondContact O-CB 3.47Å; S519-L523 WeakPolarHBondContact O-CG 3.32Å; S519-L523 PolarHBondContact O-N 3.23Å; L520-L523 PolarHBondContact O-N 3.08Å; L523-L525 PolarHBondContact O-N 3.45Å; L523-L527 VanDerWaalsContact O-CB 3.24Å; L523-L527 WeakPolarHBondContact O-CB 3.45Å; L523-L527 WeakPolarHBondContact O-CD1 3.22Å; L523-L527 VanDerWaalsContact O-CG 3.23Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.19Å; L523-L554 HydrophobicContact CB-CD1 3.95Å; L523-L703 HydrophobicContact CD1-CD1 4.01Å
524	G	93.8	Very high	93.1	Very high	8 Å²	8	38.2 Å²	38.2	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-47.7	176.6	0	0	0	0	0	112.5	L520 R522 Q528	L520-G524 PolarHBondContact O-N 2.6Å; R522-G524 VanDerWaalsContact C-N 3.34Å; R522-G524 PolarHBondContact O-N 2.75Å; G524-Q528 WeakPolarHBondContact O-CB 3.18Å; G524-Q528 PolarHBondContact O-N 3.48Å
525	L	93.4	Very high	92.9	Very high	101 Å²	101	41.9 Å²	41.9	53%	0.529	23%	0.231	S	C	.	.	H	α-helix	trans	-69.8	-41.4	-179.6	-69	170.8	0	0	0	113.3	S521 R522 L523 Q528 A529	S521-L525 VanDerWaalsContact O-CG 3.28Å; S521-L525 WeakPolarHBondContact O-CG 3.35Å; S521-L525 PolarHBondContact O-N 2.99Å; R522-L525 PolarHBondContact O-N 3.32Å; L523-L525 PolarHBondContact O-N 3.45Å; L525-Q528 PolarHBondContact O-N 3.07Å; L525-A529 PolarHBondContact O-N 3.05Å
526	E	93.6	Very high	92.7	Very high	81 Å²	81	42.7 Å²	42.7	38%	0.379	25%	0.248	S	C	.	.	H	α-helix	trans	-73	-36	-179	-71	176.2	-157.4	0	0	111.7	L489 R522 A529 L530	L489-E526 HydrophobicContact CD1-CB 4.19Å; L489-E526 HydrophobicContact CD2-CB 4.11Å; L489-E526 WeakPolarHBondContact CD2-OE2 3.45Å; R522-E526 WeakPolarHBondContact CD-OE1 3.26Å; R522-E526 HydrophobicContact CG-CG 4.31Å; R522-E526 WeakPolarHBondContact CG-OE1 3.41Å; R522-E526 WeakPolarHBondContact O-CB 3.39Å; R522-E526 PolarHBondContact O-N 3.17Å; E526-A529 PolarHBondContact O-N 3.26Å; E526-L530 WeakPolarHBondContact O-CG 3.32Å; E526-L530 PolarHBondContact O-N 3.37Å
527	L	92.6	Very high	92.5	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-39	169.5	-69.3	168.5	0	0	0	111.9	I486 L489 L523 A529 L530 L531 L547 T550 P551 L703	I486-L527 HydrophobicContact CG1-CD2 4.35Å; L489-L527 HydrophobicContact CD1-CD2 3.74Å; L489-L527 HydrophobicContact CD1-CG 3.97Å; L523-L527 VanDerWaalsContact O-CB 3.24Å; L523-L527 WeakPolarHBondContact O-CB 3.45Å; L523-L527 WeakPolarHBondContact O-CD1 3.22Å; L523-L527 VanDerWaalsContact O-CG 3.23Å; L523-L527 WeakPolarHBondContact O-CG 3.49Å; L523-L527 PolarHBondContact O-N 3.19Å; L527-A529 VanDerWaalsContact C-N 3.25Å; L527-A529 PolarHBondContact O-N 3.02Å; L527-L530 PolarHBondContact O-N 3.3Å; L527-L531 PolarHBondContact O-N 3.23Å; L527-L531 VanDerWaalsContact O-N 3.16Å; L527-L547 HydrophobicContact CD2-CD2 4.43Å; L527-T550 HydrophobicContact CD1-CG2 3.69Å; L527-P551 HydrophobicContact CB-CG 3.91Å; L527-L703 HydrophobicContact CD1-CD2 4.17Å
528	Q	94.3	Very high	92.2	Very high	92 Å²	92	47 Å²	47	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-33.8	175.5	-168.5	67.6	2.2	0	0	112.5	G524 L525 L530 P551	G524-Q528 WeakPolarHBondContact O-CB 3.18Å; G524-Q528 PolarHBondContact O-N 3.48Å; L525-Q528 PolarHBondContact O-N 3.07Å; Q528-L530 VanDerWaalsContact C-N 3.32Å; Q528-P551 HydrophobicContact CB-CB 4.35Å
529	A	93.9	Very high	92	Very high	78 Å²	78	56 Å²	56	65%	0.645	30%	0.296	S	S	*	.	H	α-helix	trans	-69.2	-28.5	173.4	0	0	0	0	0	113.1	L525 E526 L527	L525-A529 PolarHBondContact O-N 3.05Å; E526-A529 PolarHBondContact O-N 3.26Å; L527-A529 VanDerWaalsContact C-N 3.25Å; L527-A529 PolarHBondContact O-N 3.02Å
530	L	92.4	Very high	92	Very high	32 Å²	32	56 Å²	56	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-85.3	-13	179.4	-66	174.6	0	0	0	113.8	T482 I486 L489 E526 L527 Q528 A533 V534	T482-L530 HydrophobicContact CG2-CB 4.46Å; T482-L530 HydrophobicContact CG2-CD2 4.46Å; I486-L530 HydrophobicContact CG1-CD1 4.03Å; L489-L530 HydrophobicContact CD1-CD1 4.12Å; E526-L530 WeakPolarHBondContact O-CG 3.32Å; E526-L530 PolarHBondContact O-N 3.37Å; L527-L530 PolarHBondContact O-N 3.3Å; Q528-L530 VanDerWaalsContact C-N 3.32Å; L530-A533 WeakPolarHBondContact O-CA 3.46Å; L530-A533 WeakPolarHBondContact O-CB 3.34Å; L530-A533 PolarHBondContact O-N 3.18Å; L530-V534 HydrophobicContact CB-CG2 4.47Å; L530-V534 PolarHBondContact O-N 3.3Å
531	L	91.8	Very high	91.9	Very high	29 Å²	29	59 Å²	59	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-48.3	-46.8	-176.2	-121.1	67.2	0	0	0	115.2	L527 A533 V534 Q535 L548 P551	L527-L531 PolarHBondContact O-N 3.23Å; L527-L531 VanDerWaalsContact O-N 3.16Å; L531-A533 VanDerWaalsContact C-N 3.29Å; L531-A533 PolarHBondContact O-N 3.17Å; L531-V534 PolarHBondContact O-N 3.33Å; L531-Q535 WeakPolarHBondContact O-CG 3.4Å; L531-Q535 PolarHBondContact O-N 2.86Å; L531-L548 HydrophobicContact CD1-CD2 4.13Å; L531-L548 HydrophobicContact CD2-CD2 4.3Å; L531-L548 HydrophobicContact CG-CD2 3.75Å; L531-P551 HydrophobicContact CD1-CG 3.73Å
532	P	92	Very high	91.8	Very high	91 Å²	91	60.3 Å²	60.3	59%	0.591	32%	0.324	S	S	*	.	H	α-helix	trans	-63.3	-34.9	178.1	-22.8	34.9	0	0	0	112.9	A536	P532-A536 WeakPolarHBondContact O-CB 3.4Å; P532-A536 PolarHBondContact O-N 3.3Å
533	A	90.6	Very high	91.7	Very high	28 Å²	28	55.2 Å²	55.2	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-74.5	-39.9	177.1	0	0	0	0	0	111.5	T482 L530 L531 Q535 A536 Q537	T482-A533 HydrophobicContact CG2-CB 4.06Å; T482-A533 WeakPolarHBondContact OG1-CB 3.28Å; L530-A533 WeakPolarHBondContact O-CA 3.46Å; L530-A533 WeakPolarHBondContact O-CB 3.34Å; L530-A533 PolarHBondContact O-N 3.18Å; L531-A533 VanDerWaalsContact C-N 3.29Å; L531-A533 PolarHBondContact O-N 3.17Å; A533-Q535 PolarHBondContact O-N 3.39Å; A533-A536 PolarHBondContact O-N 3.37Å; A533-Q537 VanDerWaalsContact O-CB 3.26Å; A533-Q537 WeakPolarHBondContact O-CB 3.38Å; A533-Q537 WeakPolarHBondContact O-CG 3.25Å; A533-Q537 PolarHBondContact O-N 3.26Å
534	V	88.7	Confident	91.7	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-56.2	-49.3	171.1	166.9	0	0	0	0	110.7	T482 I486 L530 L531 A536 I538 L547 L548	T482-V534 HydrophobicContact CG2-CG2 3.92Å; I486-V534 HydrophobicContact CD1-CG2 4.41Å; L530-V534 HydrophobicContact CB-CG2 4.47Å; L530-V534 PolarHBondContact O-N 3.3Å; L531-V534 PolarHBondContact O-N 3.33Å; V534-A536 VanDerWaalsContact C-N 3.29Å; V534-A536 PolarHBondContact O-N 3.1Å; V534-I538 HydrophobicContact CB-CD1 4.45Å; V534-I538 HydrophobicContact CG1-CD1 4.25Å; V534-I538 HydrophobicContact CG2-CD1 4.16Å; V534-I538 WeakPolarHBondContact O-CB 3.38Å; V534-I538 PolarHBondContact O-N 3.14Å; V534-L547 HydrophobicContact CG1-CB 3.99Å; V534-L547 HydrophobicContact CG1-CD1 4.45Å; V534-L547 HydrophobicContact CG2-CD1 4.42Å; V534-L548 HydrophobicContact CG1-CD2 4.22Å; V534-L548 HydrophobicContact CG1-CG 4.44Å
535	Q	89.4	Confident	91.7	Very high	100 Å²	100	61.9 Å²	61.9	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-28.3	-178.9	-70.2	-178.6	3.2	0	0	114.1	L531 A533 R544 L548	L531-Q535 WeakPolarHBondContact O-CG 3.4Å; L531-Q535 PolarHBondContact O-N 2.86Å; A533-Q535 PolarHBondContact O-N 3.39Å; Q535-R544 PolarHBondContact O-NH1 3.2Å; Q535-R544 PolarHBondContact O-NH2 3.43Å; Q535-L548 HydrophobicContact CG-CD1 4.4Å; Q535-L548 HydrophobicContact CG-CD2 3.74Å
536	A	88.8	Confident	91.7	Very high	85 Å²	85	57.7 Å²	57.7	70%	0.702	31%	0.314	S	S	*	.	H	α-helix	trans	-93	-30.4	-178	0	0	0	0	0	114.1	P532 A533 V534	P532-A536 WeakPolarHBondContact O-CB 3.4Å; P532-A536 PolarHBondContact O-N 3.3Å; A533-A536 PolarHBondContact O-N 3.37Å; V534-A536 VanDerWaalsContact C-N 3.29Å; V534-A536 PolarHBondContact O-N 3.1Å
537	Q	88.4	Confident	91.6	Very high	92 Å²	92	54 Å²	54	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-103.4	-36.3	-173.3	-61.3	-179.7	10.1	0	0	113.4	S480 T482 A533	S480-Q537 PolarHBondContact OG-OE1 3.38Å; T482-Q537 PolarHBondContact OG1-OE1 3.04Å; A533-Q537 VanDerWaalsContact O-CB 3.26Å; A533-Q537 WeakPolarHBondContact O-CB 3.38Å; A533-Q537 WeakPolarHBondContact O-CG 3.25Å; A533-Q537 PolarHBondContact O-N 3.26Å
538	I	89	Confident	91.7	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	31%	0.306	C	S	.	.			trans	-90.3	126.3	-172.2	-58.5	-176.3	0	0	0	111	L483 V534 L543 R544 L547	L483-I538 HydrophobicContact CD2-CD1 3.97Å; L483-I538 HydrophobicContact CG-CD1 4.31Å; V534-I538 HydrophobicContact CB-CD1 4.45Å; V534-I538 HydrophobicContact CG1-CD1 4.25Å; V534-I538 HydrophobicContact CG2-CD1 4.16Å; V534-I538 WeakPolarHBondContact O-CB 3.38Å; V534-I538 PolarHBondContact O-N 3.14Å; I538-L543 HydrophobicContact CG2-CB 3.71Å; I538-L543 HydrophobicContact CG2-CD1 4.39Å; I538-R544 HydrophobicContact CG2-CB 4.45Å; I538-R544 PolarHBondContact O-NH1 3.11Å; I538-L547 HydrophobicContact CD1-CD1 3.54Å
539	R	89.9	Confident	91.6	Very high	223 Å²	223	54.9 Å²	54.9	84%	0.842	31%	0.305	S	S	*	.			trans	-104.4	-34.3	-172.5	-58.4	176.5	177.9	177.8	0.5	113	E474 S541	E474-R539 VanDerWaalsContact OE1-CB 3.32Å; E474-R539 WeakPolarHBondContact OE1-CB 3.46Å; E474-R539 WeakPolarHBondContact OE1-CG 3.21Å; E474-R539 PolarHBondContact OE1-N 3.4Å; E474-R539 PolarHBondContact OE2-N 2.86Å; R539-S541 PolarHBondContact O-N 2.7Å
540	S	92.4	Very high	91.7	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	28%	0.275	C	S	.	.			trans	-58.3	126.6	178.6	172.9	0	0	0	0	111.3	E474 L542 L543 R544	E474-S540 WeakPolarHBondContact OE2-CB 3.35Å; E474-S540 PolarHBondContact OE2-N 2.96Å; S540-L542 VanDerWaalsContact C-N 3.28Å; S540-L542 PolarHBondContact O-N 3.25Å; S540-L542 PolarHBondContact OG-N 2.93Å; S540-L543 PolarHBondContact O-N 2.81Å; S540-L543 PolarHBondContact OG-N 2.95Å; S540-R544 WeakPolarHBondContact O-CB 3.46Å; S540-R544 PolarHBondContact O-N 3.19Å
541	S	92.6	Very high	91.8	Very high	65 Å²	65	50 Å²	50	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-54.3	-45.7	174.9	48.6	0	0	0	0	111.6	E467 R539 S545	E467-S541 PolarHBondContact OE1-OG 2.64Å; R539-S541 PolarHBondContact O-N 2.7Å; S541-S545 WeakPolarHBondContact O-CB 3.28Å; S541-S545 PolarHBondContact O-N 3.28Å; S541-S545 PolarHBondContact O-OG 3.16Å
542	L	93.6	Very high	91.9	Very high	32 Å²	32	54.2 Å²	54.2	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-57.1	179.9	-177.6	58.7	0	0	0	111.1	E467 R468 S540 R544 S545 L546 L709	E467-L542 HydrophobicContact CB-CB 4.45Å; E467-L542 HydrophobicContact CB-CD2 4.47Å; R468-L542 HydrophobicContact CG-CD2 4.14Å; S540-L542 VanDerWaalsContact C-N 3.28Å; S540-L542 PolarHBondContact O-N 3.25Å; S540-L542 PolarHBondContact OG-N 2.93Å; L542-R544 VanDerWaalsContact C-N 3.31Å; L542-R544 PolarHBondContact O-N 3.06Å; L542-S545 PolarHBondContact O-N 3.38Å; L542-S545 PolarHBondContact O-OG 3.28Å; L542-L546 HydrophobicContact CD1-CD1 3.88Å; L542-L546 HydrophobicContact CD1-CG 4.24Å; L542-L546 HydrophobicContact CG-CD1 3.99Å; L542-L546 WeakPolarHBondContact O-CD1 3.29Å; L542-L546 WeakPolarHBondContact O-CG 3.25Å; L542-L546 PolarHBondContact O-N 2.99Å; L542-L546 VanDerWaalsContact O-N 3.13Å; L542-L709 HydrophobicContact CD2-CD1 3.92Å; L542-L709 HydrophobicContact CG-CD1 4.29Å
543	L	92.1	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-41.3	-179.9	-63.4	176.2	0	0	0	112.2	A471 M475 I538 S540 L547 L709	A471-L543 HydrophobicContact CB-CD1 3.93Å; A471-L543 HydrophobicContact CB-CD2 4.07Å; A471-L543 HydrophobicContact CB-CG 3.7Å; M475-L543 HydrophobicContact CE-CD1 4.02Å; M475-L543 HydrophobicContact CE-CD2 3.5Å; M475-L543 VanDerWaalsContact CE-CD2 3.5Å; M475-L543 HydrophobicContact CE-CG 4.4Å; M475-L543 HydrophobicContact CG-CD1 4.01Å; M475-L543 HydrophobicContact SD-CD1 4.28Å; M475-L543 HydrophobicContact SD-CD2 4.19Å; I538-L543 HydrophobicContact CG2-CB 3.71Å; I538-L543 HydrophobicContact CG2-CD1 4.39Å; S540-L543 PolarHBondContact O-N 2.81Å; S540-L543 PolarHBondContact OG-N 2.95Å; L543-L547 WeakPolarHBondContact O-CB 3.19Å; L543-L547 WeakPolarHBondContact O-CD1 3.24Å; L543-L547 VanDerWaalsContact O-CG 3.26Å; L543-L547 WeakPolarHBondContact O-CG 3.26Å; L543-L547 PolarHBondContact O-N 3.45Å; L543-L709 HydrophobicContact CD2-CB 4.48Å; L543-L709 HydrophobicContact CD2-CD1 3.62Å
544	R	92.1	Very high	92.2	Very high	91 Å²	91	49.6 Å²	49.6	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-44.5	-178.6	-173.8	179.1	-177.2	108.5	1.5	112.1	Q535 I538 S540 L542 L548	Q535-R544 PolarHBondContact O-NH1 3.2Å; Q535-R544 PolarHBondContact O-NH2 3.43Å; I538-R544 HydrophobicContact CG2-CB 4.45Å; I538-R544 PolarHBondContact O-NH1 3.11Å; S540-R544 WeakPolarHBondContact O-CB 3.46Å; S540-R544 PolarHBondContact O-N 3.19Å; L542-R544 VanDerWaalsContact C-N 3.31Å; L542-R544 PolarHBondContact O-N 3.06Å; R544-L548 HydrophobicContact CG-CD1 3.81Å; R544-L548 HydrophobicContact CG-CG 4.47Å; R544-L548 WeakPolarHBondContact O-CB 3.42Å; R544-L548 WeakPolarHBondContact O-CG 3.34Å; R544-L548 PolarHBondContact O-N 3.07Å; R544-L548 VanDerWaalsContact O-N 3.14Å
545	S	93.6	Very high	92.4	Very high	58 Å²	58	52.3 Å²	52.3	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-49	176.9	51.4	0	0	0	0	111.9	S541 L542 L547 L548 D549	S541-S545 WeakPolarHBondContact O-CB 3.28Å; S541-S545 PolarHBondContact O-N 3.28Å; S541-S545 PolarHBondContact O-OG 3.16Å; L542-S545 PolarHBondContact O-N 3.38Å; L542-S545 PolarHBondContact O-OG 3.28Å; S545-L547 VanDerWaalsContact C-N 3.33Å; S545-L547 PolarHBondContact O-N 3.07Å; S545-L548 PolarHBondContact O-N 3.16Å; S545-D549 PolarHBondContact O-N 2.78Å; S545-D549 VanDerWaalsContact O-N 3.14Å
546	L	93.9	Very high	92.7	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-44.5	178.7	-64.2	170.6	0	0	0	112.7	L542 T550 H702 T705 L709	L542-L546 HydrophobicContact CD1-CD1 3.88Å; L542-L546 HydrophobicContact CD1-CG 4.24Å; L542-L546 HydrophobicContact CG-CD1 3.99Å; L542-L546 WeakPolarHBondContact O-CD1 3.29Å; L542-L546 WeakPolarHBondContact O-CG 3.25Å; L542-L546 PolarHBondContact O-N 2.99Å; L542-L546 VanDerWaalsContact O-N 3.13Å; L546-T550 WeakPolarHBondContact O-CB 3.29Å; L546-T550 PolarHBondContact O-N 3.31Å; L546-T550 PolarHBondContact O-OG1 3.07Å; L546-H702 HydrophobicContact CB-CB 4.34Å; L546-H702 HydrophobicContact CD2-CB 3.92Å; L546-H702 WeakPolarHBondContact CD2-ND1 3.39Å; L546-T705 HydrophobicContact CD1-CG2 3.52Å; L546-T705 HydrophobicContact CD2-CG2 4.37Å; L546-L709 HydrophobicContact CD1-CD1 4.48Å
547	L	92.7	Very high	92.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-80.2	-22.8	-175.8	-67.9	169.7	0	0	0	113.9	I486 L527 V534 I538 L543 S545 P551 T706	I486-L547 HydrophobicContact CD1-CD1 3.78Å; I486-L547 HydrophobicContact CD1-CD2 4Å; I486-L547 HydrophobicContact CG2-CD2 4.41Å; L527-L547 HydrophobicContact CD2-CD2 4.43Å; V534-L547 HydrophobicContact CG1-CB 3.99Å; V534-L547 HydrophobicContact CG1-CD1 4.45Å; V534-L547 HydrophobicContact CG2-CD1 4.42Å; I538-L547 HydrophobicContact CD1-CD1 3.54Å; L543-L547 WeakPolarHBondContact O-CB 3.19Å; L543-L547 WeakPolarHBondContact O-CD1 3.24Å; L543-L547 VanDerWaalsContact O-CG 3.26Å; L543-L547 WeakPolarHBondContact O-CG 3.26Å; L543-L547 PolarHBondContact O-N 3.45Å; S545-L547 VanDerWaalsContact C-N 3.33Å; S545-L547 PolarHBondContact O-N 3.07Å; L547-P551 WeakPolarHBondContact O-CD 3.35Å; L547-T706 HydrophobicContact CD2-CG2 4.45Å
548	L	93.2	Very high	93	Very high	43 Å²	43	45.2 Å²	45.2	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-82.5	-37.8	176.4	-70.6	177.7	0	0	0	113	L531 V534 Q535 R544 S545 P551	L531-L548 HydrophobicContact CD1-CD2 4.13Å; L531-L548 HydrophobicContact CD2-CD2 4.3Å; L531-L548 HydrophobicContact CG-CD2 3.75Å; V534-L548 HydrophobicContact CG1-CD2 4.22Å; V534-L548 HydrophobicContact CG1-CG 4.44Å; Q535-L548 HydrophobicContact CG-CD1 4.4Å; Q535-L548 HydrophobicContact CG-CD2 3.74Å; R544-L548 HydrophobicContact CG-CD1 3.81Å; R544-L548 HydrophobicContact CG-CG 4.47Å; R544-L548 WeakPolarHBondContact O-CB 3.42Å; R544-L548 WeakPolarHBondContact O-CG 3.34Å; R544-L548 PolarHBondContact O-N 3.07Å; R544-L548 VanDerWaalsContact O-N 3.14Å; S545-L548 PolarHBondContact O-N 3.16Å; L548-P551 WeakPolarHBondContact O-CD 3.14Å
549	D	93.6	Very high	93.1	Very high	76 Å²	76	47.2 Å²	47.2	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-74.7	-31.4	-180	-77.2	19.7	0	0	0	112.5	S545 D552 L553	S545-D549 PolarHBondContact O-N 2.78Å; S545-D549 VanDerWaalsContact O-N 3.14Å; D549-D552 PolarHBondContact O-N 3.44Å; D549-L553 HydrophobicContact CB-CD1 4.24Å; D549-L553 VanDerWaalsContact O-CG 3.29Å; D549-L553 WeakPolarHBondContact O-CG 3.39Å; D549-L553 PolarHBondContact O-N 2.94Å
550	T	94.4	Very high	93.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-43.5	-170.1	-68.1	0	0	0	0	115.1	L527 L546 L553 L554 A699 H702 L703	L527-T550 HydrophobicContact CD1-CG2 3.69Å; L546-T550 WeakPolarHBondContact O-CB 3.29Å; L546-T550 PolarHBondContact O-N 3.31Å; L546-T550 PolarHBondContact O-OG1 3.07Å; T550-L553 PolarHBondContact O-N 3.49Å; T550-L554 HydrophobicContact CG2-CD1 3.84Å; T550-L554 HydrophobicContact CG2-CG 4.35Å; T550-L554 WeakPolarHBondContact O-CG 3.32Å; T550-L554 PolarHBondContact O-N 3.19Å; T550-L554 VanDerWaalsContact O-N 3.14Å; T550-A699 HydrophobicContact CG2-CB 4.33Å; T550-H702 WeakPolarHBondContact OG1-CB 3.49Å; T550-L703 HydrophobicContact CG2-CD2 4.14Å; T550-L703 HydrophobicContact CG2-CG 4.24Å
551	P	94.5	Very high	93.2	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.032	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-45	-179	-23.6	34.5	0	0	0	113.8	L527 Q528 L531 L547 L548 L553 L554 A555	L527-P551 HydrophobicContact CB-CG 3.91Å; Q528-P551 HydrophobicContact CB-CB 4.35Å; L531-P551 HydrophobicContact CD1-CG 3.73Å; L547-P551 WeakPolarHBondContact O-CD 3.35Å; L548-P551 WeakPolarHBondContact O-CD 3.14Å; P551-L553 VanDerWaalsContact C-N 3.3Å; P551-L553 PolarHBondContact O-N 2.79Å; P551-L554 CarbonylContact O-C 3.57Å; P551-L554 PolarHBondContact O-N 3.39Å; P551-A555 PolarHBondContact O-N 3.48Å
552	D	93.9	Very high	93.1	Very high	119 Å²	119	44.1 Å²	44.1	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-65.2	-35.4	179.6	-76.7	-19.1	0	0	0	111.4	D549 L554 A555	D549-D552 PolarHBondContact O-N 3.44Å; D552-L554 VanDerWaalsContact C-N 3.27Å; D552-L554 PolarHBondContact O-N 3.21Å; D552-A555 PolarHBondContact O-N 3.17Å
553	L	94.9	Very high	92.9	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-22.9	173.4	-64.3	170.4	0	0	0	113.4	D549 T550 P551 T695 R698 A699	D549-L553 HydrophobicContact CB-CD1 4.24Å; D549-L553 VanDerWaalsContact O-CG 3.29Å; D549-L553 WeakPolarHBondContact O-CG 3.39Å; D549-L553 PolarHBondContact O-N 2.94Å; T550-L553 PolarHBondContact O-N 3.49Å; P551-L553 VanDerWaalsContact C-N 3.3Å; P551-L553 PolarHBondContact O-N 2.79Å; L553-T695 HydrophobicContact CB-CG2 4.17Å; L553-T695 HydrophobicContact CD2-CG2 3.5Å; L553-T695 VanDerWaalsContact CD2-CG2 3.5Å; L553-T695 HydrophobicContact CG-CG2 4.45Å; L553-R698 HydrophobicContact CD1-CB 4.18Å; L553-A699 HydrophobicContact CB-CB 3.81Å; L553-A699 HydrophobicContact CD1-CB 4.46Å
554	L	95.1	Very high	92.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-94.9	-18	177.1	-68.8	178.5	0	0	0	113.9	L520 L523 T550 P551 D552 P556 A557 A699	L520-L554 HydrophobicContact CB-CD2 4.29Å; L520-L554 HydrophobicContact CD2-CD2 3.58Å; L520-L554 HydrophobicContact CG-CD2 4.49Å; L523-L554 HydrophobicContact CB-CD1 3.95Å; T550-L554 HydrophobicContact CG2-CD1 3.84Å; T550-L554 HydrophobicContact CG2-CG 4.35Å; T550-L554 WeakPolarHBondContact O-CG 3.32Å; T550-L554 PolarHBondContact O-N 3.19Å; T550-L554 VanDerWaalsContact O-N 3.14Å; P551-L554 CarbonylContact O-C 3.57Å; P551-L554 PolarHBondContact O-N 3.39Å; D552-L554 VanDerWaalsContact C-N 3.27Å; D552-L554 PolarHBondContact O-N 3.21Å; L554-P556 VanDerWaalsContact C-N 3.32Å; L554-P556 VanDerWaalsContact O-N 3.13Å; L554-A557 WeakPolarHBondContact O-CB 3.33Å; L554-A557 PolarHBondContact O-N 3.08Å; L554-A699 HydrophobicContact CD2-CB 3.58Å; L554-A699 HydrophobicContact CG-CB 3.77Å
555	A	93.1	Very high	92.9	Very high	58 Å²	58	43.7 Å²	43.7	48%	0.479	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-37.5	-176.2	0	0	0	0	0	115.6	P551 D552 A557 H558	P551-A555 PolarHBondContact O-N 3.48Å; D552-A555 PolarHBondContact O-N 3.17Å; A555-A557 PolarHBondContact O-N 3.06Å; A555-H558 PolarHBondContact O-N 2.74Å
556	P	94.1	Very high	92.8	Very high	34 Å²	34	45.6 Å²	45.6	22%	0.221	25%	0.25	C	S	.	.	H	α-helix	trans	-56.2	-34	177.7	-27.9	36.6	0	0	0	114.2	L554 H558 G559 F560 H692	L554-P556 VanDerWaalsContact C-N 3.32Å; L554-P556 VanDerWaalsContact O-N 3.13Å; P556-H558 PolarHBondContact O-N 3.21Å; P556-H558 VanDerWaalsContact O-N 3.17Å; P556-G559 PolarHBondContact O-N 3.34Å; P556-F560 WeakPolarHBondContact O-CD2 3.48Å; P556-H692 HydrophobicContact CB-CB 4.39Å
557	A	93.3	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-31.3	-176.8	0	0	0	0	0	113.1	C517 L520 L554 A555 G559 F560 L561	C517-A557 PolarHBondContact SG-O 2.74Å; L520-A557 HydrophobicContact CB-CB 3.76Å; L554-A557 WeakPolarHBondContact O-CB 3.33Å; L554-A557 PolarHBondContact O-N 3.08Å; A555-A557 PolarHBondContact O-N 3.06Å; A557-G559 VanDerWaalsContact C-N 3.3Å; A557-G559 PolarHBondContact O-N 3.38Å; A557-F560 PolarHBondContact O-N 2.85Å; A557-L561 PolarHBondContact O-N 3.16Å; A557-L561 VanDerWaalsContact O-N 3.14Å
558	H	91.6	Very high	92.6	Very high	94 Å²	94	53 Å²	53	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-34.7	178	-172	67.6	0	0	0	112.8	S521 A555 P556 K562	S521-H558 PolarHBondContact OG-ND1 2.82Å; S521-H558 VanDerWaalsContact OG-ND1 3.12Å; A555-H558 PolarHBondContact O-N 2.74Å; P556-H558 PolarHBondContact O-N 3.21Å; P556-H558 VanDerWaalsContact O-N 3.17Å; H558-K562 PolarHBondContact O-N 3.24Å
559	G	90.6	Very high	92.5	Very high	45 Å²	45	51 Å²	51	46%	0.464	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-48.5	178.3	0	0	0	0	0	112.2	P556 A557 K562	P556-G559 PolarHBondContact O-N 3.34Å; A557-G559 VanDerWaalsContact C-N 3.3Å; A557-G559 PolarHBondContact O-N 3.38Å; G559-K562 PolarHBondContact O-N 2.82Å
560	F	91.9	Very high	92.3	Very high	28 Å²	28	51.8 Å²	51.8	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-41.4	178.5	-67.1	-89.2	0	0	0	112.2	F513 P556 A557 K562 V563 F685 Q688 F689 H692	F513-F560 HydrophobicContact CZ-CB 4.21Å; P556-F560 WeakPolarHBondContact O-CD2 3.48Å; A557-F560 PolarHBondContact O-N 2.85Å; F560-K562 VanDerWaalsContact C-N 3.29Å; F560-K562 PolarHBondContact O-N 3.34Å; F560-V563 PolarHBondContact O-N 2.83Å; F560-F685 HydrophobicContact CB-CZ 4.1Å; F560-F685 HydrophobicContact CD1-CD2 4.37Å; F560-F685 HydrophobicContact CD1-CE1 4.3Å; F560-F685 AromaticContact CD1-CE2 3.78Å; F560-F685 HydrophobicContact CD1-CE2 3.78Å; F560-F685 AromaticContact CD1-CZ 3.75Å; F560-F685 HydrophobicContact CD1-CZ 3.75Å; F560-F685 HydrophobicContact CE1-CE2 4.5Å; F560-F685 HydrophobicContact CG-CZ 4.43Å; F560-Q688 HydrophobicContact CE1-CB 4.18Å; F560-F689 HydrophobicContact CB-CD2 4.28Å; F560-F689 HydrophobicContact CD1-CB 4.23Å; F560-F689 HydrophobicContact CD1-CD2 4.17Å; F560-F689 AromaticContact CD2-CD2 3.79Å; F560-F689 HydrophobicContact CD2-CD2 3.79Å; F560-F689 HydrophobicContact CD2-CE2 4.44Å; F560-F689 HydrophobicContact CE1-CB 3.95Å; F560-F689 HydrophobicContact CE1-CD2 4.5Å; F560-F689 HydrophobicContact CE2-CD2 4.17Å; F560-F689 AromaticContact CG-CD2 3.81Å; F560-F689 HydrophobicContact CG-CD2 3.81Å; F560-F689 HydrophobicContact CZ-CB 4.17Å; F560-H692 AromaticContact CE2-CD2 3.69Å; F560-H692 AromaticContact CZ-CD2 3.96Å
561	L	91.9	Very high	91.9	Very high	37 Å²	37	55.4 Å²	55.4	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-39.2	-179.6	-172.1	64.9	0	0	0	112.5	F514 A557 V563 L564	F514-L561 HydrophobicContact CD2-CD1 4.02Å; F514-L561 HydrophobicContact CE2-CD1 3.7Å; F514-L561 HydrophobicContact CZ-CD1 4.19Å; A557-L561 PolarHBondContact O-N 3.16Å; A557-L561 VanDerWaalsContact O-N 3.14Å; L561-V563 VanDerWaalsContact C-N 3.26Å; L561-V563 PolarHBondContact O-N 3.48Å; L561-L564 PolarHBondContact O-N 3.03Å
562	K	90.3	Very high	91.6	Very high	167 Å²	167	56.8 Å²	56.8	73%	0.726	31%	0.312	S	S	*	.	H	α-helix	trans	-64.9	-25.3	-175.7	-172.7	177.1	177.3	-177.2	0	114.1	H558 G559 F560 L564	H558-K562 PolarHBondContact O-N 3.24Å; G559-K562 PolarHBondContact O-N 2.82Å; F560-K562 VanDerWaalsContact C-N 3.29Å; F560-K562 PolarHBondContact O-N 3.34Å; K562-L564 VanDerWaalsContact C-N 3.32Å
563	V	90.8	Very high	91.4	Very high	48 Å²	48	53.2 Å²	53.2	29%	0.291	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9	-179.1	-171	0	0	0	0	111.9	F560 L561 F578 S579 F584	F560-V563 PolarHBondContact O-N 2.83Å; L561-V563 VanDerWaalsContact C-N 3.26Å; L561-V563 PolarHBondContact O-N 3.48Å; V563-F578 HydrophobicContact CG1-CD1 4.3Å; V563-F578 WeakPolarHBondContact O-CA 3.43Å; V563-S579 PolarHBondContact O-N 2.91Å; V563-S579 PolarHBondContact O-OG 2.83Å; V563-S579 VanDerWaalsContact O-OG 3.09Å; V563-F584 HydrophobicContact CG1-CE2 4.38Å
564	L	91	Very high	91.2	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.079	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-99.3	136.7	-173.9	-61.7	-178.8	0	0	0	113.6	F513 F514 L561 K562 E566 L577 F578 F685	F513-L564 HydrophobicContact CD1-CD1 3.7Å; F513-L564 HydrophobicContact CE1-CD1 3.59Å; F514-L564 HydrophobicContact CD2-CD1 4.49Å; L561-L564 PolarHBondContact O-N 3.03Å; K562-L564 VanDerWaalsContact C-N 3.32Å; L564-E566 PolarHBondContact O-N 3.19Å; L564-L577 WeakPolarHBondContact CA-O 3.45Å; L564-L577 HydrophobicContact CD2-CD1 4.03Å; L564-L577 HydrophobicContact CD2-CG 3.91Å; L564-F578 HydrophobicContact CD2-CD1 4.1Å; L564-F578 HydrophobicContact CD2-CE1 4.15Å; L564-F685 HydrophobicContact CD1-CE1 4.26Å; L564-F685 HydrophobicContact CD1-CZ 4.45Å; L564-F685 HydrophobicContact CD2-CE1 3.97Å; L564-F685 HydrophobicContact CD2-CZ 3.94Å; L564-F685 HydrophobicContact CG-CE1 4.4Å; L564-F685 HydrophobicContact CG-CZ 4.21Å
565	N	92.7	Very high	90.9	Very high	52 Å²	52	55.2 Å²	55.2	28%	0.278	30%	0.304	S	S	.	.			trans	-81.3	106	167	174.4	3.5	0	0	0	109.9	K567 A568 A569 E576 L577	N565-K567 PolarHBondContact O-N 2.88Å; N565-K567 VanDerWaalsContact O-N 3.15Å; N565-K567 PolarHBondContact OD1-N 3.42Å; N565-K567 VanDerWaalsContact OD1-N 3.16Å; N565-A568 HydrophobicContact CB-CB 4.13Å; N565-A568 PolarHBondContact O-N 3.49Å; N565-A569 WeakPolarHBondContact O-CB 3.44Å; N565-A569 PolarHBondContact O-N 3.26Å; N565-E576 VanDerWaalsContact CB-O 3.28Å; N565-E576 WeakPolarHBondContact CB-O 3.47Å; N565-E576 PolarHBondContact ND2-O 3.11Å; N565-L577 PolarHBondContact N-O 3.11Å
566	E	91.3	Very high	90.7	Very high	98 Å²	98	57.9 Å²	57.9	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-47.3	-43.2	178.8	174.4	-179.3	-170.9	0	0	113.5	F514 L564 A569 K570	F514-E566 HydrophobicContact CE1-CG 4.03Å; F514-E566 HydrophobicContact CE2-CB 3.91Å; F514-E566 HydrophobicContact CE2-CG 4.25Å; F514-E566 HydrophobicContact CZ-CB 3.73Å; F514-E566 HydrophobicContact CZ-CG 3.62Å; L564-E566 PolarHBondContact O-N 3.19Å; E566-A569 PolarHBondContact O-N 3.01Å; E566-K570 HydrophobicContact CG-CD 3.85Å; E566-K570 HydrophobicContact CG-CG 4.4Å; E566-K570 VanDerWaalsContact O-CB 3.29Å; E566-K570 WeakPolarHBondContact O-CB 3.22Å; E566-K570 WeakPolarHBondContact O-CG 3.35Å; E566-K570 PolarHBondContact O-N 2.68Å; E566-K570 WeakPolarHBondContact OE1-CE 3.36Å; E566-K570 IonicContact OE1-NZ 2.72Å; E566-K570 PolarHBondContact OE1-NZ 3.03Å
567	K	91	Very high	90.6	Very high	169 Å²	169	56.3 Å²	56.3	74%	0.735	30%	0.296	S	S	*	.	H	α-helix	trans	-67.6	-42.9	-175.3	-67.5	-177.8	180	177.5	0	111.6	N565 S571	N565-K567 PolarHBondContact O-N 2.88Å; N565-K567 VanDerWaalsContact O-N 3.15Å; N565-K567 PolarHBondContact OD1-N 3.42Å; N565-K567 VanDerWaalsContact OD1-N 3.16Å; K567-S571 WeakPolarHBondContact O-CB 3.31Å; K567-S571 PolarHBondContact O-N 2.85Å; K567-S571 VanDerWaalsContact O-N 3.16Å; K567-S571 PolarHBondContact O-OG 3.04Å
568	A	91.8	Very high	90.4	Very high	2 Å²	2	57 Å²	57	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-70.4	-40.9	177.2	0	0	0	0	0	111.6	N565 S571 G572 N573 E576	N565-A568 HydrophobicContact CB-CB 4.13Å; N565-A568 PolarHBondContact O-N 3.49Å; A568-S571 PolarHBondContact O-N 2.81Å; A568-S571 PolarHBondContact O-OG 3.14Å; A568-S571 VanDerWaalsContact O-OG 3.09Å; A568-G572 PolarHBondContact O-N 3.38Å; A568-G572 VanDerWaalsContact O-N 3.13Å; A568-N573 HydrophobicContact CB-CB 4.35Å; A568-N573 PolarHBondContact O-N 3.18Å; A568-E576 VanDerWaalsContact CB-C 3.49Å; A568-E576 HydrophobicContact CB-CB 3.87Å; A568-E576 VanDerWaalsContact CB-O 3.27Å; A568-E576 WeakPolarHBondContact CB-O 3.36Å
569	A	90.8	Very high	90.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-48.4	175.4	0	0	0	0	0	111.9	T510 Q511 F514 N565 E566 S571 G572 L577	T510-A569 CarbonylContact C-O 3.55Å; T510-A569 PolarHBondContact OG1-O 3.01Å; Q511-A569 VanDerWaalsContact CG-O 3.24Å; Q511-A569 WeakPolarHBondContact CG-O 3.32Å; Q511-A569 PolarHBondContact N-O 3.39Å; F514-A569 HydrophobicContact CB-CB 3.87Å; F514-A569 HydrophobicContact CD2-CB 3.8Å; F514-A569 HydrophobicContact CG-CB 3.97Å; N565-A569 WeakPolarHBondContact O-CB 3.44Å; N565-A569 PolarHBondContact O-N 3.26Å; E566-A569 PolarHBondContact O-N 3.01Å; A569-S571 VanDerWaalsContact C-N 3.27Å; A569-S571 PolarHBondContact O-N 3.23Å; A569-G572 PolarHBondContact O-N 3.38Å; A569-L577 HydrophobicContact CB-CD1 3.72Å
570	K	88.5	Confident	89.6	Confident	94 Å²	94	58.3 Å²	58.3	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-70.1	-14	177.7	-73.5	-178.1	174.7	178.1	0	114.9	R227 F514 E566	R227-K570 PolarHBondContact NH2-O 3.09Å; F514-K570 HydrophobicContact CD1-CG 4.47Å; E566-K570 HydrophobicContact CG-CD 3.85Å; E566-K570 HydrophobicContact CG-CG 4.4Å; E566-K570 VanDerWaalsContact O-CB 3.29Å; E566-K570 WeakPolarHBondContact O-CB 3.22Å; E566-K570 WeakPolarHBondContact O-CG 3.35Å; E566-K570 PolarHBondContact O-N 2.68Å; E566-K570 WeakPolarHBondContact OE1-CE 3.36Å; E566-K570 IonicContact OE1-NZ 2.72Å; E566-K570 PolarHBondContact OE1-NZ 3.03Å
571	S	87.2	Confident	89.1	Confident	76 Å²	76	59 Å²	59	53%	0.531	31%	0.31	S	S	.	.	H	α-helix	trans	-100.8	-7.6	175.6	74.9	0	0	0	0	113.9	K567 A568 A569 N573	K567-S571 WeakPolarHBondContact O-CB 3.31Å; K567-S571 PolarHBondContact O-N 2.85Å; K567-S571 VanDerWaalsContact O-N 3.16Å; K567-S571 PolarHBondContact O-OG 3.04Å; A568-S571 PolarHBondContact O-N 2.81Å; A568-S571 PolarHBondContact O-OG 3.14Å; A568-S571 VanDerWaalsContact O-OG 3.09Å; A569-S571 VanDerWaalsContact C-N 3.27Å; A569-S571 PolarHBondContact O-N 3.23Å; S571-N573 VanDerWaalsContact C-N 3.31Å; S571-N573 WeakPolarHBondContact OG-CB 3.37Å; S571-N573 PolarHBondContact OG-N 2.9Å
572	G	86.8	Confident	88.6	Confident	35 Å²	35	61.6 Å²	61.6	36%	0.361	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	6.2	-171.3	0	0	0	0	0	114.7	T510 A568 A569 K574	T510-G572 WeakPolarHBondContact OG1-CA 3.38Å; A568-G572 PolarHBondContact O-N 3.38Å; A568-G572 VanDerWaalsContact O-N 3.13Å; A569-G572 PolarHBondContact O-N 3.38Å; G572-K574 PolarHBondContact O-N 3.26Å; G572-K574 VanDerWaalsContact O-N 3.1Å
573	N	89.9	Confident	88	Confident	43 Å²	43	56.4 Å²	56.4	23%	0.23	33%	0.325	C	S	.	.			trans	-81.7	93.8	-173.9	-173.6	18.6	0	0	0	112.2	A568 S571 T575 E576	A568-N573 HydrophobicContact CB-CB 4.35Å; A568-N573 PolarHBondContact O-N 3.18Å; S571-N573 VanDerWaalsContact C-N 3.31Å; S571-N573 WeakPolarHBondContact OG-CB 3.37Å; S571-N573 PolarHBondContact OG-N 2.9Å; N573-T575 PolarHBondContact ND2-OG1 3.33Å; N573-T575 PolarHBondContact O-N 3.31Å; N573-T575 PolarHBondContact OD1-N 3Å; N573-T575 PolarHBondContact OD1-OG1 3.28Å; N573-E576 VanDerWaalsContact ND2-CD 3.35Å; N573-E576 WeakPolarHBondContact ND2-CG 3.26Å; N573-E576 PolarHBondContact ND2-OE2 3.42Å
574	K	90.4	Very high	87.8	Confident	25 Å²	25	55.3 Å²	55.3	11%	0.109	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.2	177.7	-68.1	171.6	-180	167.3	0	114.1	E220 T510 G572 C678 W682	E220-K574 IonicContact OE1-NZ 2.7Å; E220-K574 IonicContact OE2-NZ 3.44Å; T510-K574 HydrophobicContact CG2-CD 4.44Å; T510-K574 HydrophobicContact CG2-CG 3.7Å; G572-K574 PolarHBondContact O-N 3.26Å; G572-K574 VanDerWaalsContact O-N 3.1Å; K574-C678 HydrophobicContact CB-CB 4.39Å; K574-W682 HydrophobicContact CD-CG 4.47Å
575	T	89.6	Confident	87.7	Confident	39 Å²	39	58.6 Å²	58.6	24%	0.239	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-22.7	-178.6	68.8	0	0	0	0	115.1	N573 L674 L675	N573-T575 PolarHBondContact ND2-OG1 3.33Å; N573-T575 PolarHBondContact O-N 3.31Å; N573-T575 PolarHBondContact OD1-N 3Å; N573-T575 PolarHBondContact OD1-OG1 3.28Å; T575-L674 HydrophobicContact CG2-CD2 4.09Å; T575-L674 HydrophobicContact CG2-CG 4.17Å; T575-L675 HydrophobicContact CG2-CD1 4.41Å
576	E	89.3	Confident	87.5	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	34%	0.339	S	S	.	.	S	Bend	trans	-113.1	13.4	178.1	-65.4	174.5	153.1	0	0	111.7	N565 A568 N573	N565-E576 VanDerWaalsContact CB-O 3.28Å; N565-E576 WeakPolarHBondContact CB-O 3.47Å; N565-E576 PolarHBondContact ND2-O 3.11Å; A568-E576 VanDerWaalsContact CB-C 3.49Å; A568-E576 HydrophobicContact CB-CB 3.87Å; A568-E576 VanDerWaalsContact CB-O 3.27Å; A568-E576 WeakPolarHBondContact CB-O 3.36Å; N573-E576 VanDerWaalsContact ND2-CD 3.35Å; N573-E576 WeakPolarHBondContact ND2-CG 3.26Å; N573-E576 PolarHBondContact ND2-OE2 3.42Å
577	L	91.3	Very high	87.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	32%	0.318	C	S	.	.			trans	-70.6	-40.3	-168.8	-179.4	63.3	0	0	0	113.6	T510 L564 N565 A569 W682	T510-L577 HydrophobicContact CG2-CD1 4.22Å; T510-L577 HydrophobicContact CG2-CD2 3.73Å; L564-L577 WeakPolarHBondContact CA-O 3.45Å; L564-L577 HydrophobicContact CD2-CD1 4.03Å; L564-L577 HydrophobicContact CD2-CG 3.91Å; N565-L577 PolarHBondContact N-O 3.11Å; A569-L577 HydrophobicContact CB-CD1 3.72Å; L577-W682 HydrophobicContact CD2-CD2 4.28Å; L577-W682 HydrophobicContact CD2-CE3 3.48Å; L577-W682 VanDerWaalsContact CD2-CE3 3.48Å; L577-W682 HydrophobicContact CD2-CZ3 3.65Å
578	F	90.5	Very high	87.3	Confident	14 Å²	14	50.3 Å²	50.3	6%	0.061	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-90.4	120.2	-179.4	-57	-67.4	0	0	0	109.6	V563 L564 L581 F584 L587 F685	V563-F578 HydrophobicContact CG1-CD1 4.3Å; V563-F578 WeakPolarHBondContact O-CA 3.43Å; L564-F578 HydrophobicContact CD2-CD1 4.1Å; L564-F578 HydrophobicContact CD2-CE1 4.15Å; F578-L581 HydrophobicContact CB-CD2 4.32Å; F578-F584 HydrophobicContact CB-CD2 4.07Å; F578-F584 HydrophobicContact CB-CE2 3.91Å; F578-F584 HydrophobicContact CD1-CD2 4.45Å; F578-F584 AromaticContact CD1-CE2 3.57Å; F578-F584 HydrophobicContact CD1-CE2 3.57Å; F578-F584 AromaticContact CD1-CZ 3.65Å; F578-F584 HydrophobicContact CD1-CZ 3.65Å; F578-F584 HydrophobicContact CD2-CD2 4.28Å; F578-F584 HydrophobicContact CD2-CE1 4.46Å; F578-F584 HydrophobicContact CD2-CE2 4.1Å; F578-F584 HydrophobicContact CD2-CZ 4.19Å; F578-F584 HydrophobicContact CE1-CE1 4.34Å; F578-F584 HydrophobicContact CE1-CE2 4.08Å; F578-F584 AromaticContact CE1-CZ 3.63Å; F578-F584 HydrophobicContact CE1-CZ 3.63Å; F578-F584 HydrophobicContact CE2-CE1 4.22Å; F578-F584 HydrophobicContact CE2-CZ 4.18Å; F578-F584 HydrophobicContact CG-CD2 4.02Å; F578-F584 AromaticContact CG-CE2 3.58Å; F578-F584 HydrophobicContact CG-CE2 3.58Å; F578-F584 AromaticContact CG-CZ 3.93Å; F578-F584 HydrophobicContact CG-CZ 3.93Å; F578-F584 HydrophobicContact CZ-CE1 4.15Å; F578-F584 AromaticContact CZ-CZ 3.9Å; F578-F584 HydrophobicContact CZ-CZ 3.9Å; F578-L587 HydrophobicContact CD2-CD1 3.98Å; F578-L587 HydrophobicContact CE2-CD1 4.23Å; F578-F685 HydrophobicContact CE1-CB 4.4Å; F578-F685 HydrophobicContact CE1-CD1 4.29Å; F578-F685 AromaticContact CE1-CD2 3.94Å; F578-F685 HydrophobicContact CE1-CD2 3.94Å; F578-F685 HydrophobicContact CE1-CE2 4.19Å; F578-F685 AromaticContact CE1-CG 3.98Å; F578-F685 HydrophobicContact CE1-CG 3.98Å; F578-F685 HydrophobicContact CE1-CZ 4.47Å; F578-F685 HydrophobicContact CZ-CB 4.32Å; F578-F685 HydrophobicContact CZ-CG 4.37Å
579	S	83.4	Confident	87.3	Confident	81 Å²	81	54.4 Å²	54.4	57%	0.566	32%	0.323	S	S	*	.	S	Bend	trans	-79.3	-28.2	-178.1	59.6	0	0	0	0	112.8	V563	V563-S579 PolarHBondContact O-N 2.91Å; V563-S579 PolarHBondContact O-OG 2.83Å; V563-S579 VanDerWaalsContact O-OG 3.09Å
580	D	80.8	Confident	87.3	Confident	86 Å²	86	56.5 Å²	56.5	46%	0.46	33%	0.331	S	S	.	.			trans	-111.1	127.8	166.9	-176.7	13.2	0	0	0	109.9	S582	D580-S582 VanDerWaalsContact OD1-CB 3.24Å; D580-S582 WeakPolarHBondContact OD1-CB 3.42Å; D580-S582 PolarHBondContact OD1-N 3.46Å; D580-S582 PolarHBondContact OD1-OG 2.89Å; D580-S582 WeakPolarHBondContact OD2-CB 3.39Å; D580-S582 PolarHBondContact OD2-OG 3.01Å
581	L	82.3	Confident	87.4	Confident	43 Å²	43	54.4 Å²	54.4	23%	0.225	32%	0.323	C	S	.	.			trans	-98.4	1.7	178.5	-63.9	175.4	0	0	0	112.8	F578 G583 F584 L587 Q588 M591	F578-L581 HydrophobicContact CB-CD2 4.32Å; L581-G583 PolarHBondContact O-N 3.17Å; L581-F584 CarbonylContact O-C 3.49Å; L581-F584 PolarHBondContact O-N 3.24Å; L581-L587 HydrophobicContact CD2-CB 4.45Å; L581-Q588 HydrophobicContact CB-CB 4.46Å; L581-M591 HydrophobicContact CD1-SD 3.67Å
582	S	80.1	Confident	87.6	Confident	92 Å²	92	55 Å²	55	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.9	-179.2	69.5	0	0	0	0	113.4	D580 F584	D580-S582 VanDerWaalsContact OD1-CB 3.24Å; D580-S582 WeakPolarHBondContact OD1-CB 3.42Å; D580-S582 PolarHBondContact OD1-N 3.46Å; D580-S582 PolarHBondContact OD1-OG 2.89Å; D580-S582 WeakPolarHBondContact OD2-CB 3.39Å; D580-S582 PolarHBondContact OD2-OG 3.01Å; S582-F584 VanDerWaalsContact C-N 3.35Å
583	G	79.1	Confident	88	Confident	57 Å²	57	56.4 Å²	56.4	59%	0.588	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6	174.4	0	0	0	0	0	115.3	L581 P585	L581-G583 PolarHBondContact O-N 3.17Å; G583-P585 VanDerWaalsContact C-CD 3.46Å; G583-P585 WeakPolarHBondContact O-CD 3.45Å
584	F	86	Confident	88.2	Confident	25 Å²	25	55.2 Å²	55.2	11%	0.11	31%	0.311	C	S	.	.			trans	-127.3	59	-168.1	-57.9	-74.3	0	0	0	112.9	V563 F578 L581 S582 T586 L587 Q588 E681	V563-F584 HydrophobicContact CG1-CE2 4.38Å; F578-F584 HydrophobicContact CB-CD2 4.07Å; F578-F584 HydrophobicContact CB-CE2 3.91Å; F578-F584 HydrophobicContact CD1-CD2 4.45Å; F578-F584 AromaticContact CD1-CE2 3.57Å; F578-F584 HydrophobicContact CD1-CE2 3.57Å; F578-F584 AromaticContact CD1-CZ 3.65Å; F578-F584 HydrophobicContact CD1-CZ 3.65Å; F578-F584 HydrophobicContact CD2-CD2 4.28Å; F578-F584 HydrophobicContact CD2-CE1 4.46Å; F578-F584 HydrophobicContact CD2-CE2 4.1Å; F578-F584 HydrophobicContact CD2-CZ 4.19Å; F578-F584 HydrophobicContact CE1-CE1 4.34Å; F578-F584 HydrophobicContact CE1-CE2 4.08Å; F578-F584 AromaticContact CE1-CZ 3.63Å; F578-F584 HydrophobicContact CE1-CZ 3.63Å; F578-F584 HydrophobicContact CE2-CE1 4.22Å; F578-F584 HydrophobicContact CE2-CZ 4.18Å; F578-F584 HydrophobicContact CG-CD2 4.02Å; F578-F584 AromaticContact CG-CE2 3.58Å; F578-F584 HydrophobicContact CG-CE2 3.58Å; F578-F584 AromaticContact CG-CZ 3.93Å; F578-F584 HydrophobicContact CG-CZ 3.93Å; F578-F584 HydrophobicContact CZ-CE1 4.15Å; F578-F584 AromaticContact CZ-CZ 3.9Å; F578-F584 HydrophobicContact CZ-CZ 3.9Å; L581-F584 CarbonylContact O-C 3.49Å; L581-F584 PolarHBondContact O-N 3.24Å; S582-F584 VanDerWaalsContact C-N 3.35Å; F584-T586 VanDerWaalsContact C-N 3.29Å; F584-T586 PolarHBondContact O-N 3.37Å; F584-L587 HydrophobicContact CB-CB 4.15Å; F584-L587 HydrophobicContact CB-CD1 3.91Å; F584-L587 HydrophobicContact CB-CG 4.01Å; F584-L587 HydrophobicContact CD1-CD1 4.31Å; F584-L587 HydrophobicContact CG-CD1 4.2Å; F584-L587 PolarHBondContact O-N 3.25Å; F584-Q588 PolarHBondContact O-N 2.92Å; F584-Q588 VanDerWaalsContact O-N 3.13Å; F584-E681 HydrophobicContact CD1-CB 4.02Å; F584-E681 HydrophobicContact CD1-CG 4.2Å; F584-E681 HydrophobicContact CE1-CB 4.1Å
585	P	87.9	Confident	88.3	Confident	85 Å²	85	59.8 Å²	59.8	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-58.9	-35.7	-171.8	23.5	-34.7	0	0	0	113.6	G583 L587 Q588 E589	G583-P585 VanDerWaalsContact C-CD 3.46Å; G583-P585 WeakPolarHBondContact O-CD 3.45Å; P585-L587 VanDerWaalsContact C-N 3.33Å; P585-L587 PolarHBondContact O-N 2.55Å; P585-Q588 PolarHBondContact O-N 3.32Å; P585-E589 PolarHBondContact O-N 3.16Å
586	T	89.3	Confident	88.6	Confident	48 Å²	48	61.1 Å²	61.1	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-38.1	176.3	-47.4	0	0	0	0	112.1	F584 R590	F584-T586 VanDerWaalsContact C-N 3.29Å; F584-T586 PolarHBondContact O-N 3.37Å; T586-R590 WeakPolarHBondContact O-CG 3.45Å; T586-R590 PolarHBondContact O-N 2.97Å; T586-R590 VanDerWaalsContact O-N 3.14Å
587	L	89.5	Confident	88.9	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-69.7	-42.4	176.9	-55.4	-172.1	0	0	0	110.3	F578 L581 F584 P585 E589 R590 M591 L674 D677 E681	F578-L587 HydrophobicContact CD2-CD1 3.98Å; F578-L587 HydrophobicContact CE2-CD1 4.23Å; L581-L587 HydrophobicContact CD2-CB 4.45Å; F584-L587 HydrophobicContact CB-CB 4.15Å; F584-L587 HydrophobicContact CB-CD1 3.91Å; F584-L587 HydrophobicContact CB-CG 4.01Å; F584-L587 HydrophobicContact CD1-CD1 4.31Å; F584-L587 HydrophobicContact CG-CD1 4.2Å; F584-L587 PolarHBondContact O-N 3.25Å; P585-L587 VanDerWaalsContact C-N 3.33Å; P585-L587 PolarHBondContact O-N 2.55Å; L587-E589 PolarHBondContact O-N 3.46Å; L587-R590 PolarHBondContact O-N 3.12Å; L587-M591 WeakPolarHBondContact O-CB 3.38Å; L587-M591 VanDerWaalsContact O-CG 3.31Å; L587-M591 WeakPolarHBondContact O-CG 3.32Å; L587-M591 PolarHBondContact O-N 3.02Å; L587-L674 HydrophobicContact CD2-CD1 4.25Å; L587-D677 HydrophobicContact CD2-CB 3.84Å; L587-E681 HydrophobicContact CD1-CB 4.38Å; L587-E681 HydrophobicContact CD1-CG 4.28Å; L587-E681 HydrophobicContact CD2-CG 4.22Å; L587-E681 HydrophobicContact CG-CG 4.24Å
588	Q	88.7	Confident	89	Confident	94 Å²	94	58 Å²	58	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-43.3	175.5	-162.5	-177.7	27.4	0	0	112	L581 F584 P585 M591 N592	L581-Q588 HydrophobicContact CB-CB 4.46Å; F584-Q588 PolarHBondContact O-N 2.92Å; F584-Q588 VanDerWaalsContact O-N 3.13Å; P585-Q588 PolarHBondContact O-N 3.32Å; Q588-M591 PolarHBondContact O-N 3.37Å; Q588-N592 WeakPolarHBondContact O-CB 3.44Å; Q588-N592 PolarHBondContact O-N 3.15Å; Q588-N592 PolarHBondContact O-ND2 2.75Å
589	E	91.4	Very high	89.2	Confident	88 Å²	88	60 Å²	60	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-58.3	-48.4	174.3	-168.2	-151.6	128.6	0	0	111.7	P585 L587 N592 Q593	P585-E589 PolarHBondContact O-N 3.16Å; L587-E589 PolarHBondContact O-N 3.46Å; E589-N592 PolarHBondContact O-N 3.2Å; E589-Q593 VanDerWaalsContact O-CG 3.28Å; E589-Q593 WeakPolarHBondContact O-CG 3.46Å; E589-Q593 PolarHBondContact O-N 2.76Å; E589-Q593 PolarHBondContact OE1-NE2 2.95Å
590	R	91.6	Very high	89.7	Confident	44 Å²	44	59.8 Å²	59.8	17%	0.166	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-42.4	179	-65.9	-76.1	169.2	-85.3	-21.7	112	T586 L587 Q593 I594 L674 D677	T586-R590 WeakPolarHBondContact O-CG 3.45Å; T586-R590 PolarHBondContact O-N 2.97Å; T586-R590 VanDerWaalsContact O-N 3.14Å; L587-R590 PolarHBondContact O-N 3.12Å; R590-Q593 PolarHBondContact O-N 3.19Å; R590-I594 WeakPolarHBondContact O-CG1 3.47Å; R590-I594 PolarHBondContact O-N 2.9Å; R590-L674 HydrophobicContact CB-CB 4.45Å; R590-L674 HydrophobicContact CB-CD1 3.85Å; R590-D677 IonicContact CZ-OD2 3.62Å; R590-D677 IonicContact NE-OD2 1.78Å; R590-D677 PolarHBondContact NE-OD2 2.98Å
591	M	89.9	Confident	90.3	Very high	49 Å²	49	55.8 Å²	55.8	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-41.3	177.4	-69.5	179.3	87.2	0	0	111.6	L581 L587 Q588 Q593 I594 Q595 L674	L581-M591 HydrophobicContact CD1-SD 3.67Å; L587-M591 WeakPolarHBondContact O-CB 3.38Å; L587-M591 VanDerWaalsContact O-CG 3.31Å; L587-M591 WeakPolarHBondContact O-CG 3.32Å; L587-M591 PolarHBondContact O-N 3.02Å; Q588-M591 PolarHBondContact O-N 3.37Å; M591-Q593 PolarHBondContact O-N 3.13Å; M591-I594 PolarHBondContact O-N 2.99Å; M591-Q595 WeakPolarHBondContact O-CG 3.42Å; M591-Q595 PolarHBondContact O-N 3.36Å; M591-L674 HydrophobicContact CG-CD1 4.25Å; M591-L674 HydrophobicContact CG-CD2 4.21Å
592	N	92.6	Very high	90.8	Very high	88 Å²	88	59.4 Å²	59.4	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-40.7	173.8	-70	-16.7	0	0	0	111.9	Q588 E589 Q595 S596	Q588-N592 WeakPolarHBondContact O-CB 3.44Å; Q588-N592 PolarHBondContact O-N 3.15Å; Q588-N592 PolarHBondContact O-ND2 2.75Å; E589-N592 PolarHBondContact O-N 3.2Å; N592-Q595 PolarHBondContact O-N 3.02Å; N592-S596 WeakPolarHBondContact O-CB 3.3Å; N592-S596 PolarHBondContact O-N 3.32Å
593	Q	93.8	Very high	91.3	Very high	66 Å²	66	57.5 Å²	57.5	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-41.4	174.6	-73.4	164.1	-2.1	0	0	112.2	E589 R590 M591 S596 V597 L670	E589-Q593 VanDerWaalsContact O-CG 3.28Å; E589-Q593 WeakPolarHBondContact O-CG 3.46Å; E589-Q593 PolarHBondContact O-N 2.76Å; E589-Q593 PolarHBondContact OE1-NE2 2.95Å; R590-Q593 PolarHBondContact O-N 3.19Å; M591-Q593 PolarHBondContact O-N 3.13Å; Q593-S596 PolarHBondContact O-N 3.14Å; Q593-V597 WeakPolarHBondContact O-CG2 3.35Å; Q593-V597 PolarHBondContact O-N 3.16Å; Q593-V597 VanDerWaalsContact O-N 3.16Å; Q593-L670 HydrophobicContact CB-CD1 4.16Å; Q593-L670 HydrophobicContact CB-CD2 4.22Å
594	I	94	Very high	92	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-46.3	175.4	-72.9	164.5	0	0	0	111.1	R590 M591 S596 V597 L598 L667 L670 R671 L674	R590-I594 WeakPolarHBondContact O-CG1 3.47Å; R590-I594 PolarHBondContact O-N 2.9Å; M591-I594 PolarHBondContact O-N 2.99Å; I594-S596 VanDerWaalsContact C-N 3.31Å; I594-S596 PolarHBondContact O-N 3.17Å; I594-V597 PolarHBondContact O-N 3.32Å; I594-L598 HydrophobicContact CG2-CD1 3.85Å; I594-L598 HydrophobicContact CG2-CG 4.42Å; I594-L598 WeakPolarHBondContact O-CB 3.44Å; I594-L598 VanDerWaalsContact O-CG 3.3Å; I594-L598 WeakPolarHBondContact O-CG 3.42Å; I594-L598 PolarHBondContact O-N 2.97Å; I594-L667 HydrophobicContact CG2-CD1 3.92Å; I594-L670 HydrophobicContact CD1-CB 4.27Å; I594-L670 HydrophobicContact CG1-CB 3.66Å; I594-L670 HydrophobicContact CG1-CD1 4.42Å; I594-R671 HydrophobicContact CD1-CG 4.42Å; I594-L674 HydrophobicContact CD1-CB 4.04Å; I594-L674 HydrophobicContact CD1-CD2 3.69Å; I594-L674 HydrophobicContact CD1-CG 4.45Å
595	Q	94.2	Very high	92.2	Very high	122 Å²	122	58.5 Å²	58.5	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-61.2	-39.1	177.5	-72.8	-180	13.6	0	0	112.1	M591 N592 L598 A599	M591-Q595 WeakPolarHBondContact O-CG 3.42Å; M591-Q595 PolarHBondContact O-N 3.36Å; N592-Q595 PolarHBondContact O-N 3.02Å; Q595-L598 PolarHBondContact O-N 3.24Å; Q595-A599 WeakPolarHBondContact O-CB 3.47Å; Q595-A599 PolarHBondContact O-N 2.79Å
596	S	95.7	Very high	92.3	Very high	67 Å²	67	61.9 Å²	61.9	47%	0.469	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-51.3	174.8	-170.7	0	0	0	0	112	N592 Q593 I594 L598 A599 E600	N592-S596 WeakPolarHBondContact O-CB 3.3Å; N592-S596 PolarHBondContact O-N 3.32Å; Q593-S596 PolarHBondContact O-N 3.14Å; I594-S596 VanDerWaalsContact C-N 3.31Å; I594-S596 PolarHBondContact O-N 3.17Å; S596-L598 VanDerWaalsContact C-N 3.3Å; S596-L598 PolarHBondContact O-N 2.65Å; S596-A599 WeakPolarHBondContact O-CB 3.31Å; S596-A599 PolarHBondContact O-N 3.21Å; S596-A599 VanDerWaalsContact O-N 3.08Å; S596-E600 WeakPolarHBondContact O-CG 3.27Å; S596-E600 PolarHBondContact O-N 3.41Å
597	V	94.8	Very high	92.3	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-34.6	178.4	176.8	0	0	0	0	112	Q593 I594 E600 I601 R663 K666 L667 L670	Q593-V597 WeakPolarHBondContact O-CG2 3.35Å; Q593-V597 PolarHBondContact O-N 3.16Å; Q593-V597 VanDerWaalsContact O-N 3.16Å; I594-V597 PolarHBondContact O-N 3.32Å; V597-E600 PolarHBondContact O-N 3.44Å; V597-I601 HydrophobicContact CG1-CD1 4.03Å; V597-I601 VanDerWaalsContact O-CG1 3.32Å; V597-I601 WeakPolarHBondContact O-CG1 3.28Å; V597-I601 PolarHBondContact O-N 3.08Å; V597-R663 HydrophobicContact CG1-CB 4.31Å; V597-K666 HydrophobicContact CG2-CG 4.46Å; V597-L667 HydrophobicContact CG1-CB 4.02Å; V597-L670 HydrophobicContact CG2-CD1 3.99Å
598	L	94.3	Very high	92.3	Very high	39 Å²	39	64.2 Å²	64.2	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-39.3	172.5	-72	170.3	0	0	0	112.1	I594 Q595 S596 I601 Q602 F627 L667	I594-L598 HydrophobicContact CG2-CD1 3.85Å; I594-L598 HydrophobicContact CG2-CG 4.42Å; I594-L598 WeakPolarHBondContact O-CB 3.44Å; I594-L598 VanDerWaalsContact O-CG 3.3Å; I594-L598 WeakPolarHBondContact O-CG 3.42Å; I594-L598 PolarHBondContact O-N 2.97Å; Q595-L598 PolarHBondContact O-N 3.24Å; S596-L598 VanDerWaalsContact C-N 3.3Å; S596-L598 PolarHBondContact O-N 2.65Å; L598-I601 PolarHBondContact O-N 2.7Å; L598-Q602 WeakPolarHBondContact O-CB 3.23Å; L598-Q602 VanDerWaalsContact O-CG 3.29Å; L598-Q602 WeakPolarHBondContact O-CG 3.25Å; L598-Q602 PolarHBondContact O-N 3.36Å; L598-F627 HydrophobicContact CD2-CE1 4.35Å; L598-F627 HydrophobicContact CD2-CE2 4.33Å; L598-F627 HydrophobicContact CD2-CZ 3.58Å; L598-L667 HydrophobicContact CD2-CD1 4.11Å; L598-L667 HydrophobicContact CD2-CD2 3.75Å; L598-L667 HydrophobicContact CG-CD1 4.06Å
599	A	94.1	Very high	92.4	Very high	55 Å²	55	63 Å²	63	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-65.9	-39.4	175.6	0	0	0	0	0	112.2	Q595 S596 Q602 A603	Q595-A599 WeakPolarHBondContact O-CB 3.47Å; Q595-A599 PolarHBondContact O-N 2.79Å; S596-A599 WeakPolarHBondContact O-CB 3.31Å; S596-A599 PolarHBondContact O-N 3.21Å; S596-A599 VanDerWaalsContact O-N 3.08Å; A599-Q602 PolarHBondContact O-N 2.92Å; A599-A603 WeakPolarHBondContact O-CB 3.45Å; A599-A603 PolarHBondContact O-N 3.23Å
600	E	94.1	Very high	92.2	Very high	76 Å²	76	65.4 Å²	65.4	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-47.6	172.3	-66.3	176.6	141.2	0	0	111.7	S596 V597 Q602 A603 H604 R663	S596-E600 WeakPolarHBondContact O-CG 3.27Å; S596-E600 PolarHBondContact O-N 3.41Å; V597-E600 PolarHBondContact O-N 3.44Å; E600-Q602 VanDerWaalsContact C-N 3.34Å; E600-Q602 PolarHBondContact O-N 3.39Å; E600-A603 WeakPolarHBondContact O-CB 3.46Å; E600-A603 PolarHBondContact O-N 2.91Å; E600-H604 PolarHBondContact O-N 3.36Å; E600-R663 IonicContact OE1-CZ 2.7Å; E600-R663 IonicContact OE1-NH1 2.64Å; E600-R663 PolarHBondContact OE1-NH1 2.93Å; E600-R663 WeakPolarHBondContact OE2-CD 3.28Å; E600-R663 IonicContact OE2-CZ 3.4Å; E600-R663 IonicContact OE2-NE 2.86Å; E600-R663 IonicContact OE2-NH1 3.23Å; E600-R663 PolarHBondContact OE2-NH1 3.46Å
601	I	93.3	Very high	92	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-40.7	178	-71.7	168.1	0	0	0	111.4	V597 L598 R605 Y619 F627 L660 R663 L667	V597-I601 HydrophobicContact CG1-CD1 4.03Å; V597-I601 VanDerWaalsContact O-CG1 3.32Å; V597-I601 WeakPolarHBondContact O-CG1 3.28Å; V597-I601 PolarHBondContact O-N 3.08Å; L598-I601 PolarHBondContact O-N 2.7Å; I601-R605 PolarHBondContact O-N 3.08Å; I601-Y619 HydrophobicContact CG2-CE2 3.96Å; I601-Y619 WeakPolarHBondContact O-CE2 3.4Å; I601-Y619 PolarHBondContact O-OH 3.09Å; I601-F627 HydrophobicContact CG2-CB 4.32Å; I601-F627 HydrophobicContact CG2-CD1 3.38Å; I601-F627 HydrophobicContact CG2-CD2 4.42Å; I601-F627 HydrophobicContact CG2-CE1 3.77Å; I601-F627 HydrophobicContact CG2-CG 3.76Å; I601-F627 HydrophobicContact CG2-CZ 4.45Å; I601-L660 HydrophobicContact CB-CD2 4.45Å; I601-L660 HydrophobicContact CG1-CD2 4.24Å; I601-L660 HydrophobicContact CG2-CD2 3.81Å; I601-R663 HydrophobicContact CD1-CB 4.11Å; I601-R663 HydrophobicContact CG1-CB 3.92Å; I601-L667 HydrophobicContact CD1-CD2 4.15Å
602	Q	91.7	Very high	91.9	Very high	119 Å²	119	65 Å²	65	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-68.4	-33.2	175.1	-72.9	179	21	0	0	112.9	L598 A599 E600 R605	L598-Q602 WeakPolarHBondContact O-CB 3.23Å; L598-Q602 VanDerWaalsContact O-CG 3.29Å; L598-Q602 WeakPolarHBondContact O-CG 3.25Å; L598-Q602 PolarHBondContact O-N 3.36Å; A599-Q602 PolarHBondContact O-N 2.92Å; E600-Q602 VanDerWaalsContact C-N 3.34Å; E600-Q602 PolarHBondContact O-N 3.39Å; Q602-R605 VanDerWaalsContact O-CB 3.25Å; Q602-R605 WeakPolarHBondContact O-CB 3.33Å; Q602-R605 PolarHBondContact O-N 3.5Å
603	A	92.2	Very high	91.6	Very high	53 Å²	53	69.5 Å²	69.5	44%	0.438	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-45.9	174.2	0	0	0	0	0	111.4	A599 E600 R605 K606	A599-A603 WeakPolarHBondContact O-CB 3.45Å; A599-A603 PolarHBondContact O-N 3.23Å; E600-A603 WeakPolarHBondContact O-CB 3.46Å; E600-A603 PolarHBondContact O-N 2.91Å; A603-R605 PolarHBondContact O-N 2.92Å; A603-R605 VanDerWaalsContact O-N 3.08Å; A603-K606 WeakPolarHBondContact O-CB 3.36Å; A603-K606 PolarHBondContact O-N 3.41Å
604	H	92.2	Very high	91.2	Very high	30 Å²	30	68 Å²	68	14%	0.139	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-22.9	177.6	-176.3	62.5	0	0	0	113.5	E600 K606 E607 V608 L659	E600-H604 PolarHBondContact O-N 3.36Å; H604-K606 PolarHBondContact O-N 2.87Å; H604-K606 VanDerWaalsContact O-N 3.07Å; H604-E607 VanDerWaalsContact CE1-CB 3.48Å; H604-E607 WeakPolarHBondContact CE1-CB 3.46Å; H604-E607 IonicContact CE1-OE1 2.77Å; H604-E607 CovalentContact CE1-OE2 1.78Å; H604-E607 IonicContact CE1-OE2 3.17Å; H604-E607 PolarHBondContact CE1-OE2 3.38Å; H604-E607 IonicContact CG-OE2 3.97Å; H604-E607 IonicContact ND1-OE2 3.27Å; H604-E607 PolarHBondContact ND1-OE2 2.94Å; H604-E607 IonicContact NE2-OE2 2.69Å; H604-E607 PolarHBondContact NE2-OE2 3.31Å; H604-E607 WeakPolarHBondContact O-CB 3.35Å; H604-E607 PolarHBondContact O-N 2.86Å; H604-V608 PolarHBondContact O-N 2.92Å; H604-L659 HydrophobicContact CB-CD2 4.17Å
605	R	91.6	Very high	90.7	Very high	73 Å²	73	72 Å²	72	28%	0.275	38%	0.376	S	S	.	.	H	α-helix	trans	-53.3	-30.2	172.2	-169	177.6	59.5	165.7	0.4	112.7	I601 Q602 A603 R609 D618 Y619	I601-R605 PolarHBondContact O-N 3.08Å; Q602-R605 VanDerWaalsContact O-CB 3.25Å; Q602-R605 WeakPolarHBondContact O-CB 3.33Å; Q602-R605 PolarHBondContact O-N 3.5Å; A603-R605 PolarHBondContact O-N 2.92Å; A603-R605 VanDerWaalsContact O-N 3.08Å; R605-R609 WeakPolarHBondContact O-CB 3.41Å; R605-R609 VanDerWaalsContact O-CG 3.22Å; R605-R609 WeakPolarHBondContact O-CG 3.27Å; R605-R609 PolarHBondContact O-N 3.01Å; R605-R609 VanDerWaalsContact O-N 3.1Å; R605-D618 WeakPolarHBondContact CD-OD1 3.45Å; R605-D618 IonicContact CZ-OD1 2.71Å; R605-D618 IonicContact CZ-OD2 3.19Å; R605-D618 IonicContact NE-OD1 3.28Å; R605-D618 IonicContact NH1-OD1 3.9Å; R605-D618 PolarHBondContact NH1-OD1 2.98Å; R605-D618 IonicContact NH1-OD2 2.73Å; R605-D618 PolarHBondContact NH1-OD2 3.33Å; R605-Y619 HydrophobicContact CB-CE2 3.83Å; R605-Y619 HydrophobicContact CG-CE2 4.18Å; R605-Y619 PolarHBondContact N-OH 3.04Å
606	K	90.3	Very high	90.3	Very high	156 Å²	156	70.8 Å²	70.8	68%	0.678	39%	0.387	S	S	*	.	H	α-helix	trans	-65.2	-41.8	175.5	-65	178.3	-179.1	176	0	111.9	A603 H604 R609 L610	A603-K606 WeakPolarHBondContact O-CB 3.36Å; A603-K606 PolarHBondContact O-N 3.41Å; H604-K606 PolarHBondContact O-N 2.87Å; H604-K606 VanDerWaalsContact O-N 3.07Å; K606-R609 PolarHBondContact O-N 3.45Å; K606-L610 WeakPolarHBondContact O-CG 3.48Å; K606-L610 PolarHBondContact O-N 2.99Å
607	E	89.2	Confident	90	Very high	100 Å²	100	68.8 Å²	68.8	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-70.4	-44.3	179	-64.1	166.8	-172.3	0	0	110.8	H604 R609 L610 V611	H604-E607 VanDerWaalsContact CE1-CB 3.48Å; H604-E607 WeakPolarHBondContact CE1-CB 3.46Å; H604-E607 IonicContact CE1-OE1 2.77Å; H604-E607 CovalentContact CE1-OE2 1.78Å; H604-E607 IonicContact CE1-OE2 3.17Å; H604-E607 PolarHBondContact CE1-OE2 3.38Å; H604-E607 IonicContact CG-OE2 3.97Å; H604-E607 IonicContact ND1-OE2 3.27Å; H604-E607 PolarHBondContact ND1-OE2 2.94Å; H604-E607 IonicContact NE2-OE2 2.69Å; H604-E607 PolarHBondContact NE2-OE2 3.31Å; H604-E607 WeakPolarHBondContact O-CB 3.35Å; H604-E607 PolarHBondContact O-N 2.86Å; E607-R609 VanDerWaalsContact C-N 3.3Å; E607-R609 PolarHBondContact O-N 2.92Å; E607-L610 WeakPolarHBondContact O-CB 3.38Å; E607-L610 PolarHBondContact O-N 3.16Å; E607-L610 VanDerWaalsContact O-N 3.08Å; E607-V611 WeakPolarHBondContact O-CG2 3.37Å; E607-V611 PolarHBondContact O-N 3.47Å
608	V	88.3	Confident	89.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-54.5	-44.9	173.6	172.6	0	0	0	0	111.7	H604 L610 V611 L612 L617 I629 W643	H604-V608 PolarHBondContact O-N 2.92Å; V608-L610 VanDerWaalsContact C-N 3.34Å; V608-L610 PolarHBondContact O-N 2.98Å; V608-V611 PolarHBondContact O-N 3.04Å; V608-L612 HydrophobicContact CG1-CD1 4.18Å; V608-L612 PolarHBondContact O-N 3.48Å; V608-L617 HydrophobicContact CG1-CD2 3.86Å; V608-I629 HydrophobicContact CB-CD1 4.46Å; V608-I629 HydrophobicContact CG1-CD1 3.73Å; V608-I629 HydrophobicContact CG1-CG1 4.12Å; V608-I629 HydrophobicContact CG1-CG2 3.98Å; V608-I629 HydrophobicContact CG2-CD1 3.79Å; V608-W643 HydrophobicContact CG1-CH2 4.12Å; V608-W643 HydrophobicContact CG2-CH2 4.46Å
609	R	91.1	Very high	89.7	Confident	69 Å²	69	72 Å²	72	26%	0.26	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-36.4	177.1	-74.9	173.5	176.9	-164	-1.3	113	R605 K606 E607 K613 A614 P615 L617	R605-R609 WeakPolarHBondContact O-CB 3.41Å; R605-R609 VanDerWaalsContact O-CG 3.22Å; R605-R609 WeakPolarHBondContact O-CG 3.27Å; R605-R609 PolarHBondContact O-N 3.01Å; R605-R609 VanDerWaalsContact O-N 3.1Å; K606-R609 PolarHBondContact O-N 3.45Å; E607-R609 VanDerWaalsContact C-N 3.3Å; E607-R609 PolarHBondContact O-N 2.92Å; R609-K613 CarbonylContact O-C 3.57Å; R609-K613 WeakPolarHBondContact O-CA 3.25Å; R609-K613 PolarHBondContact O-N 2.96Å; R609-K613 VanDerWaalsContact O-N 3.16Å; R609-A614 WeakPolarHBondContact CG-O 3.4Å; R609-A614 PolarHBondContact O-N 2.83Å; R609-P615 WeakPolarHBondContact CD-O 3.43Å; R609-P615 VanDerWaalsContact CZ-O 3.31Å; R609-P615 PolarHBondContact NE-O 3.01Å; R609-P615 PolarHBondContact NH1-O 3.39Å; R609-L617 HydrophobicContact CG-CB 4.37Å; R609-L617 PolarHBondContact NE-O 3.37Å; R609-L617 PolarHBondContact NH2-O 3.29Å
610	L	88.3	Confident	89.6	Confident	137 Å²	137	71.9 Å²	71.9	72%	0.717	38%	0.379	S	S	*	.	H	α-helix	trans	-70.1	-49.5	176.1	-75.7	163.5	0	0	0	111.6	K606 E607 V608 K613	K606-L610 WeakPolarHBondContact O-CG 3.48Å; K606-L610 PolarHBondContact O-N 2.99Å; E607-L610 WeakPolarHBondContact O-CB 3.38Å; E607-L610 PolarHBondContact O-N 3.16Å; E607-L610 VanDerWaalsContact O-N 3.08Å; V608-L610 VanDerWaalsContact C-N 3.34Å; V608-L610 PolarHBondContact O-N 2.98Å; L610-K613 PolarHBondContact O-N 3.38Å
611	V	87.4	Confident	89.5	Confident	67 Å²	67	72.2 Å²	72.2	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-59.1	-50.2	-179.4	170.1	0	0	0	0	111.4	E607 V608 K613 P640 W643	E607-V611 WeakPolarHBondContact O-CG2 3.37Å; E607-V611 PolarHBondContact O-N 3.47Å; V608-V611 PolarHBondContact O-N 3.04Å; V611-K613 VanDerWaalsContact C-N 3.26Å; V611-K613 PolarHBondContact O-N 2.91Å; V611-P640 HydrophobicContact CG1-CG 3.58Å; V611-W643 HydrophobicContact CG1-CH2 4.44Å; V611-W643 HydrophobicContact CG1-CZ2 4.04Å
612	L	86.6	Confident	89.4	Confident	17 Å²	17	74 Å²	74	9%	0.089	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.3	179.9	-63.9	179	0	0	0	113.9	V608 A614 L617 I629 V631 I638 V639 W643	V608-L612 HydrophobicContact CG1-CD1 4.18Å; V608-L612 PolarHBondContact O-N 3.48Å; L612-A614 HydrophobicContact CB-CB 4.17Å; L612-A614 PolarHBondContact O-N 3.47Å; L612-A614 VanDerWaalsContact O-N 3.14Å; L612-L617 HydrophobicContact CD1-CD1 3.66Å; L612-I629 HydrophobicContact CD1-CG2 3.56Å; L612-V631 HydrophobicContact CD1-CG2 4.04Å; L612-I638 HydrophobicContact CD2-CG2 4.19Å; L612-V639 HydrophobicContact CD2-CG2 4.28Å; L612-W643 HydrophobicContact CD1-CH2 3.94Å; L612-W643 HydrophobicContact CD1-CZ3 3.88Å; L612-W643 HydrophobicContact CD2-CH2 4.22Å; L612-W643 HydrophobicContact CD2-CZ3 4.23Å; L612-W643 HydrophobicContact CG-CH2 3.92Å; L612-W643 HydrophobicContact CG-CZ3 4.21Å
613	K	86.4	Confident	89	Confident	184 Å²	184	74.2 Å²	74.2	80%	0.8	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	32.4	-175.6	-55.7	178.9	-175.7	176.9	0	113.3	R609 L610 V611 P615	R609-K613 CarbonylContact O-C 3.57Å; R609-K613 WeakPolarHBondContact O-CA 3.25Å; R609-K613 PolarHBondContact O-N 2.96Å; R609-K613 VanDerWaalsContact O-N 3.16Å; L610-K613 PolarHBondContact O-N 3.38Å; V611-K613 VanDerWaalsContact C-N 3.26Å; V611-K613 PolarHBondContact O-N 2.91Å; K613-P615 WeakPolarHBondContact O-CD 3.4Å
614	A	85.3	Confident	88.5	Confident	33 Å²	33	74.9 Å²	74.9	27%	0.273	43%	0.426	S	S	.	.			trans	-121	78.1	-169.4	0	0	0	0	0	110.5	R609 L612 A616 L617	R609-A614 WeakPolarHBondContact CG-O 3.4Å; R609-A614 PolarHBondContact O-N 2.83Å; L612-A614 HydrophobicContact CB-CB 4.17Å; L612-A614 PolarHBondContact O-N 3.47Å; L612-A614 VanDerWaalsContact O-N 3.14Å; A614-A616 PolarHBondContact O-N 3.1Å; A614-A616 VanDerWaalsContact O-N 3.16Å; A614-L617 HydrophobicContact CB-CB 4.02Å; A614-L617 HydrophobicContact CB-CD1 4.28Å; A614-L617 VanDerWaalsContact O-CB 3.22Å; A614-L617 WeakPolarHBondContact O-CB 3.44Å; A614-L617 PolarHBondContact O-N 3.13Å
615	P	83.8	Confident	88.2	Confident	103 Å²	103	76.9 Å²	76.9	67%	0.669	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.2	-170.3	25	-35	0	0	0	114.4	R609 K613	R609-P615 WeakPolarHBondContact CD-O 3.43Å; R609-P615 VanDerWaalsContact CZ-O 3.31Å; R609-P615 PolarHBondContact NE-O 3.01Å; R609-P615 PolarHBondContact NH1-O 3.39Å; K613-P615 WeakPolarHBondContact O-CD 3.4Å
616	A	86.8	Confident	88.2	Confident	96 Å²	96	75.7 Å²	75.7	79%	0.793	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.9	176.8	0	0	0	0	0	114.1	A614 D618	A614-A616 PolarHBondContact O-N 3.1Å; A614-A616 VanDerWaalsContact O-N 3.16Å; A616-D618 PolarHBondContact O-N 2.81Å
617	L	87.6	Confident	88.3	Confident	25 Å²	25	69.5 Å²	69.5	13%	0.131	41%	0.407	C	S	.	.			trans	-66.2	131.2	-176.5	-174.7	151.1	0	0	0	111.3	V608 R609 L612 A614 I629	V608-L617 HydrophobicContact CG1-CD2 3.86Å; R609-L617 HydrophobicContact CG-CB 4.37Å; R609-L617 PolarHBondContact NE-O 3.37Å; R609-L617 PolarHBondContact NH2-O 3.29Å; L612-L617 HydrophobicContact CD1-CD1 3.66Å; A614-L617 HydrophobicContact CB-CB 4.02Å; A614-L617 HydrophobicContact CB-CD1 4.28Å; A614-L617 VanDerWaalsContact O-CB 3.22Å; A614-L617 WeakPolarHBondContact O-CB 3.44Å; A614-L617 PolarHBondContact O-N 3.13Å; L617-I629 HydrophobicContact CD1-CG2 3.91Å; L617-I629 HydrophobicContact CD2-CG2 4.23Å
618	D	90.8	Very high	88.4	Confident	81 Å²	81	64.8 Å²	64.8	43%	0.433	39%	0.385	S	S	.	.			trans	-122.7	165.5	166.9	-139	-24.4	0	0	0	111	R605 A616	R605-D618 WeakPolarHBondContact CD-OD1 3.45Å; R605-D618 IonicContact CZ-OD1 2.71Å; R605-D618 IonicContact CZ-OD2 3.19Å; R605-D618 IonicContact NE-OD1 3.28Å; R605-D618 IonicContact NH1-OD1 3.9Å; R605-D618 PolarHBondContact NH1-OD1 2.98Å; R605-D618 IonicContact NH1-OD2 2.73Å; R605-D618 PolarHBondContact NH1-OD2 3.33Å; A616-D618 PolarHBondContact O-N 2.81Å
619	Y	93.1	Very high	88.6	Confident	37 Å²	37	64.8 Å²	64.8	15%	0.145	39%	0.385	C	S	.	.			trans	-72.2	143.1	176	-67.4	-51.1	0	0	0	111.5	I601 R605 F627 I629 L660	I601-Y619 HydrophobicContact CG2-CE2 3.96Å; I601-Y619 WeakPolarHBondContact O-CE2 3.4Å; I601-Y619 PolarHBondContact O-OH 3.09Å; R605-Y619 HydrophobicContact CB-CE2 3.83Å; R605-Y619 HydrophobicContact CG-CE2 4.18Å; R605-Y619 PolarHBondContact N-OH 3.04Å; Y619-F627 HydrophobicContact CD1-CB 4.4Å; Y619-F627 AromaticContact CD2-CD1 3.94Å; Y619-F627 HydrophobicContact CD2-CD1 3.94Å; Y619-F627 HydrophobicContact CE2-CD1 4.38Å; Y619-F627 HydrophobicContact CG-CB 4.4Å; Y619-F627 HydrophobicContact CG-CD1 4.27Å; Y619-I629 HydrophobicContact CD1-CG1 4.22Å; Y619-I629 HydrophobicContact CE1-CG1 4.03Å; Y619-L660 HydrophobicContact CE1-CD1 3.86Å; Y619-L660 HydrophobicContact CE1-CD2 4.48Å
620	V	92.1	Very high	88.6	Confident	52 Å²	52	64.8 Å²	64.8	32%	0.315	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.5	176.8	-168.7	0	0	0	0	109.6	V622 L628 E630	V620-V622 HydrophobicContact CG1-CG2 3.86Å; V620-L628 PolarHBondContact N-O 3.09Å; V620-L628 VanDerWaalsContact O-CB 3.28Å; V620-L628 WeakPolarHBondContact O-CB 3.2Å; V620-L628 PolarHBondContact O-N 3.41Å; V620-E630 HydrophobicContact CG2-CB 4.12Å
621	S	92.4	Very high	88.7	Confident	82 Å²	82	59 Å²	59	57%	0.573	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.7	170.7	-61	0	0	0	0	110	Q625	S621-Q625 CarbonylContact C-O 3.34Å; S621-Q625 VanDerWaalsContact CA-O 3.23Å; S621-Q625 WeakPolarHBondContact CA-O 3.38Å
622	V	89.5	Confident	88.8	Confident	39 Å²	39	62.3 Å²	62.3	24%	0.236	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.4	-176.5	178.7	0	0	0	0	109.3	V620 G624 Q625 L628	V620-V622 HydrophobicContact CG1-CG2 3.86Å; V622-G624 PolarHBondContact O-N 3.14Å; V622-G624 VanDerWaalsContact O-N 3.16Å; V622-Q625 PolarHBondContact N-O 2.66Å; V622-Q625 PolarHBondContact O-N 3.37Å; V622-L628 HydrophobicContact CB-CD1 3.87Å; V622-L628 HydrophobicContact CG2-CD1 4.21Å
623	S	83.6	Confident	88.8	Confident	125 Å²	125	63.7 Å²	63.7	87%	0.874	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	39.3	176.1	-55.7	0	0	0	0	114.6	Q625	S623-Q625 VanDerWaalsContact C-N 3.28Å; S623-Q625 PolarHBondContact O-N 3.46Å
624	G	82.5	Confident	88.7	Confident	66 Å²	66	59.7 Å²	59.7	68%	0.68	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	0.6	-179.4	0	0	0	0	0	115.5	V622	V622-G624 PolarHBondContact O-N 3.14Å; V622-G624 VanDerWaalsContact O-N 3.16Å
625	Q	86.1	Confident	88.6	Confident	73 Å²	73	62 Å²	62	34%	0.341	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125	169.4	-67.5	177.9	-19.6	0	0	109.9	S621 V622 S623 L628	S621-Q625 CarbonylContact C-O 3.34Å; S621-Q625 VanDerWaalsContact CA-O 3.23Å; S621-Q625 WeakPolarHBondContact CA-O 3.38Å; V622-Q625 PolarHBondContact N-O 2.66Å; V622-Q625 PolarHBondContact O-N 3.37Å; S623-Q625 VanDerWaalsContact C-N 3.28Å; S623-Q625 PolarHBondContact O-N 3.46Å; Q625-L628 HydrophobicContact CB-CD1 4.02Å; Q625-L628 HydrophobicContact CB-CD2 4.24Å; Q625-L628 HydrophobicContact CB-CG 4.33Å; Q625-L628 WeakPolarHBondContact O-CD1 3.31Å
626	E	91	Very high	88.4	Confident	48 Å²	48	59.4 Å²	59.4	22%	0.224	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	171.1	-179.6	-64	166	-143.9	0	0	112	L628 H656 Y664 R671	E626-L628 PolarHBondContact O-N 3.31Å; E626-L628 VanDerWaalsContact O-N 3.11Å; E626-H656 PolarHBondContact O-CE1 3.42Å; E626-H656 PolarHBondContact O-NE2 2.89Å; E626-Y664 HydrophobicContact CB-CE2 4.01Å; E626-Y664 PolarHBondContact N-OH 3.42Å; E626-R671 VanDerWaalsContact CD-NH1 3.28Å; E626-R671 IonicContact OE1-CZ 2.7Å; E626-R671 IonicContact OE1-NH1 3.56Å; E626-R671 PolarHBondContact OE1-NH1 3.39Å; E626-R671 IonicContact OE1-NH2 2.75Å; E626-R671 PolarHBondContact OE1-NH2 2.78Å; E626-R671 IonicContact OE2-CZ 3.01Å; E626-R671 IonicContact OE2-NH1 3.19Å; E626-R671 PolarHBondContact OE2-NH1 3.31Å; E626-R671 IonicContact OE2-NH2 2.69Å; E626-R671 PolarHBondContact OE2-NH2 3.44Å
627	F	92.1	Very high	88.1	Confident	26 Å²	26	61 Å²	61	11%	0.114	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.2	24.9	173.3	-46.6	-69.7	0	0	0	114.8	L598 I601 Y619 H656 L660 Y664 L667	L598-F627 HydrophobicContact CD2-CE1 4.35Å; L598-F627 HydrophobicContact CD2-CE2 4.33Å; L598-F627 HydrophobicContact CD2-CZ 3.58Å; I601-F627 HydrophobicContact CG2-CB 4.32Å; I601-F627 HydrophobicContact CG2-CD1 3.38Å; I601-F627 HydrophobicContact CG2-CD2 4.42Å; I601-F627 HydrophobicContact CG2-CE1 3.77Å; I601-F627 HydrophobicContact CG2-CG 3.76Å; I601-F627 HydrophobicContact CG2-CZ 4.45Å; Y619-F627 HydrophobicContact CD1-CB 4.4Å; Y619-F627 AromaticContact CD2-CD1 3.94Å; Y619-F627 HydrophobicContact CD2-CD1 3.94Å; Y619-F627 HydrophobicContact CE2-CD1 4.38Å; Y619-F627 HydrophobicContact CG-CB 4.4Å; Y619-F627 HydrophobicContact CG-CD1 4.27Å; F627-H656 WeakPolarHBondContact CA-NE2 3.46Å; F627-H656 PolarHBondContact O-CD2 3Å; F627-H656 VanDerWaalsContact O-CD2 3.26Å; F627-H656 PolarHBondContact O-NE2 3.38Å; F627-L660 HydrophobicContact CB-CD2 4.4Å; F627-Y664 AromaticContact CD2-CD2 3.69Å; F627-Y664 HydrophobicContact CD2-CD2 3.69Å; F627-Y664 AromaticContact CD2-CE2 3.95Å; F627-Y664 HydrophobicContact CD2-CE2 3.95Å; F627-Y664 HydrophobicContact CE2-CD2 4.14Å; F627-Y664 HydrophobicContact CE2-CE2 4.25Å; F627-L667 HydrophobicContact CD2-CD2 4.46Å; F627-L667 HydrophobicContact CE2-CD2 3.56Å; F627-L667 HydrophobicContact CZ-CD2 4.15Å
628	L	92.3	Very high	88	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.3	-179.4	-61.5	165	0	0	0	110	V620 V622 Q625 E626 I646 R654 H656	V620-L628 PolarHBondContact N-O 3.09Å; V620-L628 VanDerWaalsContact O-CB 3.28Å; V620-L628 WeakPolarHBondContact O-CB 3.2Å; V620-L628 PolarHBondContact O-N 3.41Å; V622-L628 HydrophobicContact CB-CD1 3.87Å; V622-L628 HydrophobicContact CG2-CD1 4.21Å; Q625-L628 HydrophobicContact CB-CD1 4.02Å; Q625-L628 HydrophobicContact CB-CD2 4.24Å; Q625-L628 HydrophobicContact CB-CG 4.33Å; Q625-L628 WeakPolarHBondContact O-CD1 3.31Å; E626-L628 PolarHBondContact O-N 3.31Å; E626-L628 VanDerWaalsContact O-N 3.11Å; L628-I646 HydrophobicContact CD2-CB 4.09Å; L628-I646 HydrophobicContact CD2-CG1 4.35Å; L628-I646 HydrophobicContact CD2-CG2 4.15Å; L628-R654 HydrophobicContact CB-CB 4.29Å; L628-R654 HydrophobicContact CD2-CB 4.26Å; L628-H656 WeakPolarHBondContact CA-NE2 3.49Å; L628-H656 PolarHBondContact N-NE2 3.1Å
629	I	91.9	Very high	87.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	106.2	172.1	-52.9	169.3	0	0	0	107.7	V608 L612 L617 Y619 V631 W643 R654 Y655 L660	V608-I629 HydrophobicContact CB-CD1 4.46Å; V608-I629 HydrophobicContact CG1-CD1 3.73Å; V608-I629 HydrophobicContact CG1-CG1 4.12Å; V608-I629 HydrophobicContact CG1-CG2 3.98Å; V608-I629 HydrophobicContact CG2-CD1 3.79Å; L612-I629 HydrophobicContact CD1-CG2 3.56Å; L617-I629 HydrophobicContact CD1-CG2 3.91Å; L617-I629 HydrophobicContact CD2-CG2 4.23Å; Y619-I629 HydrophobicContact CD1-CG1 4.22Å; Y619-I629 HydrophobicContact CE1-CG1 4.03Å; I629-V631 HydrophobicContact CG2-CG2 4.35Å; I629-W643 HydrophobicContact CB-CZ3 4.28Å; I629-W643 HydrophobicContact CD1-CE3 4.01Å; I629-W643 HydrophobicContact CD1-CH2 3.75Å; I629-W643 HydrophobicContact CD1-CZ3 3.45Å; I629-W643 VanDerWaalsContact CD1-CZ3 3.45Å; I629-W643 HydrophobicContact CG1-CZ3 4.46Å; I629-W643 HydrophobicContact CG2-CZ3 3.93Å; I629-R654 WeakPolarHBondContact O-CA 3.36Å; I629-Y655 WeakPolarHBondContact CB-O 3.31Å; I629-Y655 PolarHBondContact N-O 3.2Å; I629-Y655 PolarHBondContact O-N 2.76Å; I629-L660 HydrophobicContact CD1-CD1 3.65Å; I629-L660 HydrophobicContact CG1-CD1 4.08Å
630	E	91.6	Very high	87.7	Confident	69 Å²	69	60.4 Å²	60.4	32%	0.322	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.2	-177	-171.1	170.2	118.1	0	0	111.9	V620 V652 R654	V620-E630 HydrophobicContact CG2-CB 4.12Å; E630-V652 HydrophobicContact CG-CB 3.7Å; E630-V652 HydrophobicContact CG-CG1 3.98Å; E630-V652 HydrophobicContact CG-CG2 3.85Å; E630-R654 HydrophobicContact CB-CG 4.29Å; E630-R654 HydrophobicContact CG-CG 4.16Å; E630-R654 IonicContact OE2-CZ 2.78Å; E630-R654 IonicContact OE2-NE 2.73Å; E630-R654 PolarHBondContact OE2-NE 3.06Å; E630-R654 IonicContact OE2-NH2 3.83Å; E630-R654 PolarHBondContact OE2-NH2 2.96Å
631	V	89.6	Confident	87.4	Confident	16 Å²	16	64.5 Å²	64.5	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.5	-178.1	-175.5	0	0	0	0	109.5	L612 I629 L635 V639 V652 S653 Y655	L612-V631 HydrophobicContact CD1-CG2 4.04Å; I629-V631 HydrophobicContact CG2-CG2 4.35Å; V631-L635 HydrophobicContact CG1-CB 3.97Å; V631-V639 HydrophobicContact CB-CG2 4.26Å; V631-V639 HydrophobicContact CG1-CG2 4.08Å; V631-V639 HydrophobicContact CG2-CG2 4.02Å; V631-V652 CarbonylContact O-C 3.58Å; V631-V652 WeakPolarHBondContact O-CA 3.47Å; V631-S653 PolarHBondContact N-O 3.41Å; V631-S653 PolarHBondContact O-N 3.36Å; V631-Y655 HydrophobicContact CB-CE2 4.42Å; V631-Y655 HydrophobicContact CG2-CD2 4.49Å
632	K	89.4	Confident	87.3	Confident	136 Å²	136	64.9 Å²	64.9	59%	0.591	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.8	175.5	-67.4	-175.8	179.5	-179.9	0	110.1	S634 L635 S636 V652	K632-S634 PolarHBondContact O-N 3.05Å; K632-S634 VanDerWaalsContact O-N 3.08Å; K632-L635 PolarHBondContact O-N 3.33Å; K632-S636 PolarHBondContact O-N 3.11Å; K632-V652 HydrophobicContact CG-CG1 4.23Å
633	N	87.6	Confident	87.4	Confident	47 Å²	47	64.1 Å²	64.1	25%	0.251	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-56.8	-31.3	-176.3	-73	-21.3	0	0	0	112.8	L635 S636 T649 K650 T651 S653	N633-L635 PolarHBondContact O-N 3.45Å; N633-S636 WeakPolarHBondContact O-CB 3.3Å; N633-S636 PolarHBondContact O-N 2.98Å; N633-S636 PolarHBondContact O-OG 3.22Å; N633-T649 PolarHBondContact ND2-O 3.02Å; N633-K650 VanDerWaalsContact ND2-C 3.3Å; N633-K650 PolarHBondContact ND2-O 3.14Å; N633-T651 PolarHBondContact N-O 3.38Å; N633-S653 WeakPolarHBondContact OD1-CB 3.48Å; N633-S653 PolarHBondContact OD1-N 3.22Å; N633-S653 VanDerWaalsContact OD1-N 3.09Å; N633-S653 PolarHBondContact OD1-OG 3.45Å
634	S	84.7	Confident	87.8	Confident	99 Å²	99	61.7 Å²	61.7	69%	0.692	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12	174.4	57.2	0	0	0	0	115.7	K632	K632-S634 PolarHBondContact O-N 3.05Å; K632-S634 VanDerWaalsContact O-N 3.08Å
635	L	81.9	Confident	88.2	Confident	82 Å²	82	63.3 Å²	63.3	43%	0.429	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-116.9	11.5	179.8	-60.4	176.4	0	0	0	112.1	V631 K632 N633 T637 I638	V631-L635 HydrophobicContact CG1-CB 3.97Å; K632-L635 PolarHBondContact O-N 3.33Å; N633-L635 PolarHBondContact O-N 3.45Å; L635-T637 PolarHBondContact O-N 2.84Å; L635-T637 VanDerWaalsContact O-N 3.15Å; L635-I638 HydrophobicContact CB-CD1 4.26Å; L635-I638 HydrophobicContact CD2-CD1 4.01Å; L635-I638 WeakPolarHBondContact O-CB 3.33Å; L635-I638 PolarHBondContact O-N 3.32Å
636	S	79.9	Confident	88.4	Confident	49 Å²	49	62.4 Å²	62.4	34%	0.343	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-61.5	-21.2	-178.2	52.6	0	0	0	0	113.9	K632 N633 I638 V639	K632-S636 PolarHBondContact O-N 3.11Å; N633-S636 WeakPolarHBondContact O-CB 3.3Å; N633-S636 PolarHBondContact O-N 2.98Å; N633-S636 PolarHBondContact O-OG 3.22Å; S636-I638 VanDerWaalsContact C-N 3.26Å; S636-I638 PolarHBondContact O-N 3.08Å; S636-V639 WeakPolarHBondContact O-CB 3.28Å; S636-V639 PolarHBondContact O-N 3.48Å
637	T	81.1	Confident	88.3	Confident	129 Å²	129	61.7 Å²	61.7	79%	0.791	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11.2	173.3	49.7	0	0	0	0	114.7	L635	L635-T637 PolarHBondContact O-N 2.84Å; L635-T637 VanDerWaalsContact O-N 3.15Å
638	I	85.4	Confident	88.2	Confident	83 Å²	83	63.7 Å²	63.7	43%	0.426	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-85.3	-17.5	174.3	-56	-179.9	0	0	0	110.8	L612 L635 S636	L612-I638 HydrophobicContact CD2-CG2 4.19Å; L635-I638 HydrophobicContact CB-CD1 4.26Å; L635-I638 HydrophobicContact CD2-CD1 4.01Å; L635-I638 WeakPolarHBondContact O-CB 3.33Å; L635-I638 PolarHBondContact O-N 3.32Å; S636-I638 VanDerWaalsContact C-N 3.26Å; S636-I638 PolarHBondContact O-N 3.08Å
639	V	87.1	Confident	88.1	Confident	17 Å²	17	66.1 Å²	66.1	10%	0.103	38%	0.376	C	S	.	.	S	Bend	trans	-76.7	129.6	-178.3	-174.3	0	0	0	0	110	L612 V631 S636 W643 Y655	L612-V639 HydrophobicContact CD2-CG2 4.28Å; V631-V639 HydrophobicContact CB-CG2 4.26Å; V631-V639 HydrophobicContact CG1-CG2 4.08Å; V631-V639 HydrophobicContact CG2-CG2 4.02Å; S636-V639 WeakPolarHBondContact O-CB 3.28Å; S636-V639 PolarHBondContact O-N 3.48Å; V639-W643 HydrophobicContact CG1-CB 3.94Å; V639-W643 HydrophobicContact CG1-CD2 4.01Å; V639-W643 HydrophobicContact CG1-CE3 3.57Å; V639-W643 HydrophobicContact CG1-CG 4.2Å; V639-W643 HydrophobicContact CG1-CZ3 4.28Å; V639-Y655 HydrophobicContact CB-CE1 4.46Å; V639-Y655 HydrophobicContact CG1-CD1 3.78Å; V639-Y655 HydrophobicContact CG1-CD2 4.27Å; V639-Y655 HydrophobicContact CG1-CE1 3.9Å; V639-Y655 HydrophobicContact CG1-CE2 4.4Å; V639-Y655 HydrophobicContact CG1-CG 3.97Å; V639-Y655 HydrophobicContact CG2-CD2 4.28Å; V639-Y655 HydrophobicContact CG2-CE2 3.96Å
640	P	90.1	Very high	87.9	Confident	31 Å²	31	76.1 Å²	76.1	20%	0.201	42%	0.419	C	S	.	.			trans	-59.2	146	176.7	-25.6	35.3	0	0	0	113.5	V611 D642 W643	V611-P640 HydrophobicContact CG1-CG 3.58Å; P640-D642 WeakPolarHBondContact CB-OD1 3.34Å; P640-D642 PolarHBondContact O-N 3.5Å; P640-W643 HydrophobicContact CB-CG 4.32Å; P640-W643 HydrophobicContact CG-CD2 4.37Å; P640-W643 HydrophobicContact CG-CZ2 4.17Å; P640-W643 WeakPolarHBondContact O-CB 3.46Å; P640-W643 PolarHBondContact O-N 3.35Å
641	P	85.4	Confident	87.8	Confident	138 Å²	138	77.7 Å²	77.7	90%	0.896	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.6	-173.9	30.8	-36.6	0	0	0	114	W643	P641-W643 VanDerWaalsContact C-N 3.32Å
642	D	90	Very high	87.9	Confident	89 Å²	89	77.6 Å²	77.6	48%	0.476	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.3	173.9	57.6	-66.8	0	0	0	113.5	P640 P658	P640-D642 WeakPolarHBondContact CB-OD1 3.34Å; P640-D642 PolarHBondContact O-N 3.5Å; D642-P658 HydrophobicContact CB-CG 4.04Å; D642-P658 VanDerWaalsContact OD2-CD 3.24Å; D642-P658 WeakPolarHBondContact OD2-CD 3.17Å; D642-P658 VanDerWaalsContact OD2-CG 3.24Å; D642-P658 WeakPolarHBondContact OD2-CG 3.4Å
643	W	92.4	Very high	88	Confident	23 Å²	23	71.2 Å²	71.2	9%	0.087	41%	0.406	C	S	.	.	S	Bend	trans	-82.1	128.9	-178.8	-71.6	24.3	0	0	0	112	V608 V611 L612 I629 V639 P640 P641 K645 Y655 H656	V608-W643 HydrophobicContact CG1-CH2 4.12Å; V608-W643 HydrophobicContact CG2-CH2 4.46Å; V611-W643 HydrophobicContact CG1-CH2 4.44Å; V611-W643 HydrophobicContact CG1-CZ2 4.04Å; L612-W643 HydrophobicContact CD1-CH2 3.94Å; L612-W643 HydrophobicContact CD1-CZ3 3.88Å; L612-W643 HydrophobicContact CD2-CH2 4.22Å; L612-W643 HydrophobicContact CD2-CZ3 4.23Å; L612-W643 HydrophobicContact CG-CH2 3.92Å; L612-W643 HydrophobicContact CG-CZ3 4.21Å; I629-W643 HydrophobicContact CB-CZ3 4.28Å; I629-W643 HydrophobicContact CD1-CE3 4.01Å; I629-W643 HydrophobicContact CD1-CH2 3.75Å; I629-W643 HydrophobicContact CD1-CZ3 3.45Å; I629-W643 VanDerWaalsContact CD1-CZ3 3.45Å; I629-W643 HydrophobicContact CG1-CZ3 4.46Å; I629-W643 HydrophobicContact CG2-CZ3 3.93Å; V639-W643 HydrophobicContact CG1-CB 3.94Å; V639-W643 HydrophobicContact CG1-CD2 4.01Å; V639-W643 HydrophobicContact CG1-CE3 3.57Å; V639-W643 HydrophobicContact CG1-CG 4.2Å; V639-W643 HydrophobicContact CG1-CZ3 4.28Å; P640-W643 HydrophobicContact CB-CG 4.32Å; P640-W643 HydrophobicContact CG-CD2 4.37Å; P640-W643 HydrophobicContact CG-CZ2 4.17Å; P640-W643 WeakPolarHBondContact O-CB 3.46Å; P640-W643 PolarHBondContact O-N 3.35Å; P641-W643 VanDerWaalsContact C-N 3.32Å; W643-K645 PolarHBondContact O-N 3.37Å; W643-Y655 HydrophobicContact CB-CD1 4.4Å; W643-H656 CarbonylContact C-O 3.57Å; W643-H656 WeakPolarHBondContact CA-O 3.22Å
644	V	91.6	Very high	88.3	Confident	75 Å²	75	70.4 Å²	70.4	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.5	-178.9	-172.9	0	0	0	0	109.4	I646 Y655 H656 V661	V644-I646 HydrophobicContact CB-CD1 4.11Å; V644-I646 HydrophobicContact CG1-CD1 3.82Å; V644-I646 PolarHBondContact O-N 3.3Å; V644-Y655 VanDerWaalsContact O-CA 3.3Å; V644-Y655 WeakPolarHBondContact O-CA 3.23Å; V644-H656 PolarHBondContact N-O 3.49Å; V644-H656 PolarHBondContact O-N 3.22Å; V644-V661 HydrophobicContact CB-CG2 4.22Å; V644-V661 HydrophobicContact CG2-CG2 3.96Å
645	K	91.6	Very high	88.7	Confident	100 Å²	100	66.8 Å²	66.8	44%	0.435	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.6	172	-177.6	167.9	169.4	166.5	0	109.9	W643 S648 S653 Y655	W643-K645 PolarHBondContact O-N 3.37Å; K645-S648 VanDerWaalsContact CE-CB 3.46Å; K645-S648 WeakPolarHBondContact CE-OG 3.3Å; K645-S648 PolarHBondContact NZ-OG 3.04Å; K645-S653 WeakPolarHBondContact CE-OG 3.4Å; K645-S653 PolarHBondContact NZ-OG 2.74Å; K645-Y655 HydrophobicContact CB-CD1 3.8Å; K645-Y655 HydrophobicContact CB-CE1 3.69Å; K645-Y655 HydrophobicContact CD-CE1 4.14Å; K645-Y655 HydrophobicContact CG-CD1 4.33Å; K645-Y655 HydrophobicContact CG-CE1 4.03Å
646	I	90.7	Very high	89.2	Confident	53 Å²	53	63.2 Å²	63.2	27%	0.272	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-42.3	-173.3	-49.1	-61	0	0	0	111.8	L628 V644 R654 H656	L628-I646 HydrophobicContact CD2-CB 4.09Å; L628-I646 HydrophobicContact CD2-CG1 4.35Å; L628-I646 HydrophobicContact CD2-CG2 4.15Å; V644-I646 HydrophobicContact CB-CD1 4.11Å; V644-I646 HydrophobicContact CG1-CD1 3.82Å; V644-I646 PolarHBondContact O-N 3.3Å; I646-R654 PolarHBondContact N-O 3.25Å; I646-H656 HydrophobicContact CD1-CB 4.21Å; I646-H656 HydrophobicContact CG1-CB 4.16Å
647	S	89.1	Confident	89.9	Confident	33 Å²	33	61 Å²	61	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	163.1	176	62.3	0	0	0	0	112.6	R654	S647-R654 PolarHBondContact N-O 2.96Å; S647-R654 PolarHBondContact O-N 3.04Å
648	S	89.9	Confident	90.3	Very high	68 Å²	68	57.9 Å²	57.9	48%	0.476	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.9	-179.3	-153.3	0	0	0	0	110.4	K645 S653	K645-S648 VanDerWaalsContact CE-CB 3.46Å; K645-S648 WeakPolarHBondContact CE-OG 3.3Å; K645-S648 PolarHBondContact NZ-OG 3.04Å; S648-S653 PolarHBondContact OG-OG 3.29Å
649	T	89.9	Confident	90.6	Very high	52 Å²	52	57 Å²	57	32%	0.319	31%	0.314	S	S	.	.			trans	-122.5	178	166.7	69.5	0	0	0	0	109	N633 T651 V652	N633-T649 PolarHBondContact ND2-O 3.02Å; T649-T651 PolarHBondContact O-N 3.46Å; T649-T651 PolarHBondContact OG1-N 3.14Å; T649-T651 PolarHBondContact OG1-OG1 3.13Å; T649-V652 HydrophobicContact CG2-CG2 4.41Å; T649-V652 PolarHBondContact N-O 3.31Å; T649-V652 WeakPolarHBondContact OG1-CG2 3.3Å; T649-V652 PolarHBondContact OG1-N 3.2Å; T649-V652 PolarHBondContact OG1-O 2.9Å
650	K	87.7	Confident	90.9	Very high	210 Å²	210	56.3 Å²	56.3	91%	0.913	31%	0.309	S	S	*	.	S	Bend	trans	-61.9	-30.3	176.7	-65.2	-175.6	178.7	-179.2	0	112.9	N633	N633-K650 VanDerWaalsContact ND2-C 3.3Å; N633-K650 PolarHBondContact ND2-O 3.14Å
651	T	88.8	Confident	90.9	Very high	101 Å²	101	57.6 Å²	57.6	62%	0.62	32%	0.317	S	S	*	.	S	Bend	trans	-103.1	-39	-174.8	48.6	0	0	0	0	113.8	N633 T649	N633-T651 PolarHBondContact N-O 3.38Å; T649-T651 PolarHBondContact O-N 3.46Å; T649-T651 PolarHBondContact OG1-N 3.14Å; T649-T651 PolarHBondContact OG1-OG1 3.13Å
652	V	92.7	Very high	91.2	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.4	-172.7	-67.1	0	0	0	0	112.9	E630 V631 K632 T649	E630-V652 HydrophobicContact CG-CB 3.7Å; E630-V652 HydrophobicContact CG-CG1 3.98Å; E630-V652 HydrophobicContact CG-CG2 3.85Å; V631-V652 CarbonylContact O-C 3.58Å; V631-V652 WeakPolarHBondContact O-CA 3.47Å; K632-V652 HydrophobicContact CG-CG1 4.23Å; T649-V652 HydrophobicContact CG2-CG2 4.41Å; T649-V652 PolarHBondContact N-O 3.31Å; T649-V652 WeakPolarHBondContact OG1-CG2 3.3Å; T649-V652 PolarHBondContact OG1-N 3.2Å; T649-V652 PolarHBondContact OG1-O 2.9Å
653	S	91.6	Very high	91.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.9	170.8	-70.2	0	0	0	0	109.5	V631 N633 K645 S648 Y655	V631-S653 PolarHBondContact N-O 3.41Å; V631-S653 PolarHBondContact O-N 3.36Å; N633-S653 WeakPolarHBondContact OD1-CB 3.48Å; N633-S653 PolarHBondContact OD1-N 3.22Å; N633-S653 VanDerWaalsContact OD1-N 3.09Å; N633-S653 PolarHBondContact OD1-OG 3.45Å; K645-S653 WeakPolarHBondContact CE-OG 3.4Å; K645-S653 PolarHBondContact NZ-OG 2.74Å; S648-S653 PolarHBondContact OG-OG 3.29Å; S653-Y655 VanDerWaalsContact CB-CE2 3.45Å
654	R	92.7	Very high	91.3	Very high	29 Å²	29	56.3 Å²	56.3	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135	-176.3	-59	-171.5	-174.7	101.3	4.7	111.4	L628 I629 E630 I646 S647	L628-R654 HydrophobicContact CB-CB 4.29Å; L628-R654 HydrophobicContact CD2-CB 4.26Å; I629-R654 WeakPolarHBondContact O-CA 3.36Å; E630-R654 HydrophobicContact CB-CG 4.29Å; E630-R654 HydrophobicContact CG-CG 4.16Å; E630-R654 IonicContact OE2-CZ 2.78Å; E630-R654 IonicContact OE2-NE 2.73Å; E630-R654 PolarHBondContact OE2-NE 3.06Å; E630-R654 IonicContact OE2-NH2 3.83Å; E630-R654 PolarHBondContact OE2-NH2 2.96Å; I646-R654 PolarHBondContact N-O 3.25Å; S647-R654 PolarHBondContact N-O 2.96Å; S647-R654 PolarHBondContact O-N 3.04Å
655	Y	92.3	Very high	91.3	Very high	23 Å²	23	57.2 Å²	57.2	9%	0.09	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.1	-170.2	-58.8	-99.5	0	0	0	112	I629 V631 V639 W643 V644 K645 S653	I629-Y655 WeakPolarHBondContact CB-O 3.31Å; I629-Y655 PolarHBondContact N-O 3.2Å; I629-Y655 PolarHBondContact O-N 2.76Å; V631-Y655 HydrophobicContact CB-CE2 4.42Å; V631-Y655 HydrophobicContact CG2-CD2 4.49Å; V639-Y655 HydrophobicContact CB-CE1 4.46Å; V639-Y655 HydrophobicContact CG1-CD1 3.78Å; V639-Y655 HydrophobicContact CG1-CD2 4.27Å; V639-Y655 HydrophobicContact CG1-CE1 3.9Å; V639-Y655 HydrophobicContact CG1-CE2 4.4Å; V639-Y655 HydrophobicContact CG1-CG 3.97Å; V639-Y655 HydrophobicContact CG2-CD2 4.28Å; V639-Y655 HydrophobicContact CG2-CE2 3.96Å; W643-Y655 HydrophobicContact CB-CD1 4.4Å; V644-Y655 VanDerWaalsContact O-CA 3.3Å; V644-Y655 WeakPolarHBondContact O-CA 3.23Å; K645-Y655 HydrophobicContact CB-CD1 3.8Å; K645-Y655 HydrophobicContact CB-CE1 3.69Å; K645-Y655 HydrophobicContact CD-CE1 4.14Å; K645-Y655 HydrophobicContact CG-CD1 4.33Å; K645-Y655 HydrophobicContact CG-CE1 4.03Å; S653-Y655 VanDerWaalsContact CB-CE2 3.45Å
656	H	93.8	Very high	91.3	Very high	8 Å²	8	57 Å²	57	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.3	161.2	-71.4	160.9	0	0	0	108.9	E626 F627 L628 W643 V644 I646 L660 V661 Y664	E626-H656 PolarHBondContact O-CE1 3.42Å; E626-H656 PolarHBondContact O-NE2 2.89Å; F627-H656 WeakPolarHBondContact CA-NE2 3.46Å; F627-H656 PolarHBondContact O-CD2 3Å; F627-H656 VanDerWaalsContact O-CD2 3.26Å; F627-H656 PolarHBondContact O-NE2 3.38Å; L628-H656 WeakPolarHBondContact CA-NE2 3.49Å; L628-H656 PolarHBondContact N-NE2 3.1Å; W643-H656 CarbonylContact C-O 3.57Å; W643-H656 WeakPolarHBondContact CA-O 3.22Å; V644-H656 PolarHBondContact N-O 3.49Å; V644-H656 PolarHBondContact O-N 3.22Å; I646-H656 HydrophobicContact CD1-CB 4.21Å; I646-H656 HydrophobicContact CG1-CB 4.16Å; H656-L660 HydrophobicContact CB-CB 4.05Å; H656-V661 HydrophobicContact CB-CG2 3.71Å; H656-Y664 AromaticContact CE1-CD1 3.16Å; H656-Y664 WeakPolarHBondContact CE1-CD1 3.46Å; H656-Y664 AromaticContact CE1-CE1 3.16Å; H656-Y664 WeakPolarHBondContact CE1-CE1 3.46Å; H656-Y664 AromaticContact CE1-CG 3.9Å; H656-Y664 AromaticContact CE1-CZ 3.9Å
657	S	93.1	Very high	91.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	28%	0.277	C	S	.	.			trans	-70.9	161.9	168.2	66.7	0	0	0	0	110.8	L659 L660 V661	S657-L659 VanDerWaalsContact C-N 3.27Å; S657-L659 PolarHBondContact O-N 3.3Å; S657-L660 WeakPolarHBondContact O-CA 3.41Å; S657-L660 WeakPolarHBondContact O-CB 3.4Å; S657-L660 PolarHBondContact O-N 2.87Å; S657-L660 WeakPolarHBondContact OG-CG 3.26Å; S657-L660 PolarHBondContact OG-N 2.97Å; S657-V661 WeakPolarHBondContact O-CG2 3.46Å; S657-V661 PolarHBondContact O-N 3.04Å
658	P	91.5	Very high	91.5	Very high	64 Å²	64	55.1 Å²	55.1	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-53.6	-41.5	177.2	-29	35.6	0	0	0	113.9	D642 V661 E662	D642-P658 HydrophobicContact CB-CG 4.04Å; D642-P658 VanDerWaalsContact OD2-CD 3.24Å; D642-P658 WeakPolarHBondContact OD2-CD 3.17Å; D642-P658 VanDerWaalsContact OD2-CG 3.24Å; D642-P658 WeakPolarHBondContact OD2-CG 3.4Å; P658-V661 PolarHBondContact O-N 3.06Å; P658-E662 PolarHBondContact O-N 3.25Å; P658-E662 VanDerWaalsContact O-N 3.07Å
659	L	91.6	Very high	91.6	Very high	65 Å²	65	53.6 Å²	53.6	34%	0.34	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-39.4	176.2	-172.8	68.9	0	0	0	111.7	H604 S657 E662 R663	H604-L659 HydrophobicContact CB-CD2 4.17Å; S657-L659 VanDerWaalsContact C-N 3.27Å; S657-L659 PolarHBondContact O-N 3.3Å; L659-E662 PolarHBondContact O-N 2.86Å; L659-R663 HydrophobicContact CD1-CG 3.98Å; L659-R663 HydrophobicContact CG-CG 4.11Å; L659-R663 VanDerWaalsContact O-CB 3.31Å; L659-R663 WeakPolarHBondContact O-CB 3.46Å; L659-R663 VanDerWaalsContact O-CG 3.23Å; L659-R663 WeakPolarHBondContact O-CG 3.33Å; L659-R663 PolarHBondContact O-N 2.82Å
660	L	91.7	Very high	91.8	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-40.4	174	-73	173.2	0	0	0	111.8	I601 Y619 F627 I629 H656 S657 E662 R663 Y664	I601-L660 HydrophobicContact CB-CD2 4.45Å; I601-L660 HydrophobicContact CG1-CD2 4.24Å; I601-L660 HydrophobicContact CG2-CD2 3.81Å; Y619-L660 HydrophobicContact CE1-CD1 3.86Å; Y619-L660 HydrophobicContact CE1-CD2 4.48Å; F627-L660 HydrophobicContact CB-CD2 4.4Å; I629-L660 HydrophobicContact CD1-CD1 3.65Å; I629-L660 HydrophobicContact CG1-CD1 4.08Å; H656-L660 HydrophobicContact CB-CB 4.05Å; S657-L660 WeakPolarHBondContact O-CA 3.41Å; S657-L660 WeakPolarHBondContact O-CB 3.4Å; S657-L660 PolarHBondContact O-N 2.87Å; S657-L660 WeakPolarHBondContact OG-CG 3.26Å; S657-L660 PolarHBondContact OG-N 2.97Å; L660-E662 VanDerWaalsContact C-N 3.34Å; L660-E662 PolarHBondContact O-N 2.7Å; L660-R663 PolarHBondContact O-N 3.39Å; L660-Y664 WeakPolarHBondContact O-CA 3.32Å; L660-Y664 WeakPolarHBondContact O-CB 3.43Å; L660-Y664 PolarHBondContact O-N 2.79Å
661	V	91.2	Very high	92	Very high	59 Å²	59	45 Å²	45	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-44.5	176.3	176.7	0	0	0	0	111	V644 H656 S657 P658 K665	V644-V661 HydrophobicContact CB-CG2 4.22Å; V644-V661 HydrophobicContact CG2-CG2 3.96Å; H656-V661 HydrophobicContact CB-CG2 3.71Å; S657-V661 WeakPolarHBondContact O-CG2 3.46Å; S657-V661 PolarHBondContact O-N 3.04Å; P658-V661 PolarHBondContact O-N 3.06Å; V661-K665 WeakPolarHBondContact O-CB 3.46Å; V661-K665 PolarHBondContact O-N 3.42Å; V661-K665 VanDerWaalsContact O-N 3.13Å
662	E	92.1	Very high	92.1	Very high	115 Å²	115	41.4 Å²	41.4	54%	0.537	19%	0.194	S	C	.	.	H	α-helix	trans	-65.9	-54	176.7	-173.9	-171.4	-148.7	0	0	112	P658 L659 L660 Y664 K665 K666	P658-E662 PolarHBondContact O-N 3.25Å; P658-E662 VanDerWaalsContact O-N 3.07Å; L659-E662 PolarHBondContact O-N 2.86Å; L660-E662 VanDerWaalsContact C-N 3.34Å; L660-E662 PolarHBondContact O-N 2.7Å; E662-Y664 PolarHBondContact O-N 3.12Å; E662-K665 WeakPolarHBondContact O-CB 3.26Å; E662-K665 PolarHBondContact O-N 2.94Å; E662-K666 PolarHBondContact O-N 2.83Å
663	R	92.5	Very high	92	Very high	75 Å²	75	43.6 Å²	43.6	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-70.6	-33.3	-173.9	-62.4	-68.4	162.9	148.8	0.6	112.4	V597 E600 I601 L659 L660 K666 L667	V597-R663 HydrophobicContact CG1-CB 4.31Å; E600-R663 IonicContact OE1-CZ 2.7Å; E600-R663 IonicContact OE1-NH1 2.64Å; E600-R663 PolarHBondContact OE1-NH1 2.93Å; E600-R663 WeakPolarHBondContact OE2-CD 3.28Å; E600-R663 IonicContact OE2-CZ 3.4Å; E600-R663 IonicContact OE2-NE 2.86Å; E600-R663 IonicContact OE2-NH1 3.23Å; E600-R663 PolarHBondContact OE2-NH1 3.46Å; I601-R663 HydrophobicContact CD1-CB 4.11Å; I601-R663 HydrophobicContact CG1-CB 3.92Å; L659-R663 HydrophobicContact CD1-CG 3.98Å; L659-R663 HydrophobicContact CG-CG 4.11Å; L659-R663 VanDerWaalsContact O-CB 3.31Å; L659-R663 WeakPolarHBondContact O-CB 3.46Å; L659-R663 VanDerWaalsContact O-CG 3.23Å; L659-R663 WeakPolarHBondContact O-CG 3.33Å; L659-R663 PolarHBondContact O-N 2.82Å; L660-R663 PolarHBondContact O-N 3.39Å; R663-K666 PolarHBondContact O-N 2.95Å; R663-L667 VanDerWaalsContact O-CB 3.31Å; R663-L667 WeakPolarHBondContact O-CB 3.45Å; R663-L667 PolarHBondContact O-N 3.31Å
664	Y	91.8	Very high	92.1	Very high	32 Å²	32	44 Å²	44	13%	0.125	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-39.8	171.3	-173.5	-121.3	0	0	0	111.8	E626 F627 H656 L660 E662 K666 L667 Q668	E626-Y664 HydrophobicContact CB-CE2 4.01Å; E626-Y664 PolarHBondContact N-OH 3.42Å; F627-Y664 AromaticContact CD2-CD2 3.69Å; F627-Y664 HydrophobicContact CD2-CD2 3.69Å; F627-Y664 AromaticContact CD2-CE2 3.95Å; F627-Y664 HydrophobicContact CD2-CE2 3.95Å; F627-Y664 HydrophobicContact CE2-CD2 4.14Å; F627-Y664 HydrophobicContact CE2-CE2 4.25Å; H656-Y664 AromaticContact CE1-CD1 3.16Å; H656-Y664 WeakPolarHBondContact CE1-CD1 3.46Å; H656-Y664 AromaticContact CE1-CE1 3.16Å; H656-Y664 WeakPolarHBondContact CE1-CE1 3.46Å; H656-Y664 AromaticContact CE1-CG 3.9Å; H656-Y664 AromaticContact CE1-CZ 3.9Å; L660-Y664 WeakPolarHBondContact O-CA 3.32Å; L660-Y664 WeakPolarHBondContact O-CB 3.43Å; L660-Y664 PolarHBondContact O-N 2.79Å; E662-Y664 PolarHBondContact O-N 3.12Å; Y664-K666 VanDerWaalsContact C-N 3.33Å; Y664-K666 PolarHBondContact O-N 3.45Å; Y664-L667 HydrophobicContact CD2-CD2 4.32Å; Y664-L667 PolarHBondContact O-N 2.82Å; Y664-Q668 HydrophobicContact CD2-CG 4.38Å; Y664-Q668 HydrophobicContact CE1-CG 4.31Å; Y664-Q668 HydrophobicContact CE2-CG 4.1Å; Y664-Q668 VanDerWaalsContact CZ-NE2 3.32Å; Y664-Q668 WeakPolarHBondContact O-CG 3.45Å; Y664-Q668 PolarHBondContact O-N 3.28Å; Y664-Q668 PolarHBondContact OH-NE2 3.29Å
665	K	90.9	Very high	92	Very high	94 Å²	94	46.9 Å²	46.9	41%	0.409	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-44.8	171.2	-175.5	177.4	-177.4	176.9	0	111	A195 V661 E662 Q668 Q669	A195-K665 PolarHBondContact O-NZ 3.31Å; V661-K665 WeakPolarHBondContact O-CB 3.46Å; V661-K665 PolarHBondContact O-N 3.42Å; V661-K665 VanDerWaalsContact O-N 3.13Å; E662-K665 WeakPolarHBondContact O-CB 3.26Å; E662-K665 PolarHBondContact O-N 2.94Å; K665-Q668 PolarHBondContact O-N 2.84Å; K665-Q669 WeakPolarHBondContact O-CG 3.42Å; K665-Q669 PolarHBondContact O-N 2.97Å
666	K	92.4	Very high	91.9	Very high	97 Å²	97	49.8 Å²	49.8	42%	0.422	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-39.4	177.3	-175.1	57.8	177.8	177.5	0	112.5	V597 E662 R663 Y664 Q669 L670	V597-K666 HydrophobicContact CG2-CG 4.46Å; E662-K666 PolarHBondContact O-N 2.83Å; R663-K666 PolarHBondContact O-N 2.95Å; Y664-K666 VanDerWaalsContact C-N 3.33Å; Y664-K666 PolarHBondContact O-N 3.45Å; K666-Q669 PolarHBondContact O-N 2.68Å; K666-L670 HydrophobicContact CG-CD1 4.31Å; K666-L670 WeakPolarHBondContact O-CG 3.43Å; K666-L670 PolarHBondContact O-N 2.71Å
667	L	93.2	Very high	91.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-45.8	174.8	180	64.5	0	0	0	111.7	I594 V597 L598 I601 F627 R663 Y664 L670 R671	I594-L667 HydrophobicContact CG2-CD1 3.92Å; V597-L667 HydrophobicContact CG1-CB 4.02Å; L598-L667 HydrophobicContact CD2-CD1 4.11Å; L598-L667 HydrophobicContact CD2-CD2 3.75Å; L598-L667 HydrophobicContact CG-CD1 4.06Å; I601-L667 HydrophobicContact CD1-CD2 4.15Å; F627-L667 HydrophobicContact CD2-CD2 4.46Å; F627-L667 HydrophobicContact CE2-CD2 3.56Å; F627-L667 HydrophobicContact CZ-CD2 4.15Å; R663-L667 VanDerWaalsContact O-CB 3.31Å; R663-L667 WeakPolarHBondContact O-CB 3.45Å; R663-L667 PolarHBondContact O-N 3.31Å; Y664-L667 HydrophobicContact CD2-CD2 4.32Å; Y664-L667 PolarHBondContact O-N 2.82Å; L667-L670 PolarHBondContact O-N 2.93Å; L667-R671 WeakPolarHBondContact O-CG 3.42Å; L667-R671 PolarHBondContact O-N 3.05Å
668	Q	90.9	Very high	91.8	Very high	45 Å²	45	49.7 Å²	49.7	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-38.1	178.6	-67.9	-67	5.9	0	0	112.1	A192 Y664 K665 L670 R671 E672	A192-Q668 HydrophobicContact CB-CB 3.8Å; Y664-Q668 HydrophobicContact CD2-CG 4.38Å; Y664-Q668 HydrophobicContact CE1-CG 4.31Å; Y664-Q668 HydrophobicContact CE2-CG 4.1Å; Y664-Q668 VanDerWaalsContact CZ-NE2 3.32Å; Y664-Q668 WeakPolarHBondContact O-CG 3.45Å; Y664-Q668 PolarHBondContact O-N 3.28Å; Y664-Q668 PolarHBondContact OH-NE2 3.29Å; K665-Q668 PolarHBondContact O-N 2.84Å; Q668-L670 PolarHBondContact O-N 3.41Å; Q668-R671 PolarHBondContact O-N 3.05Å; Q668-E672 PolarHBondContact O-N 3.25Å
669	Q	91.2	Very high	91.8	Very high	36 Å²	36	49.8 Å²	49.8	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-45.6	169.3	-72.7	169.4	-19.8	0	0	112.1	A192 L193 S196 K665 K666 Q673	A192-Q669 HydrophobicContact CB-CG 4.37Å; L193-Q669 HydrophobicContact CD2-CB 4.34Å; S196-Q669 PolarHBondContact OG-NE2 3.18Å; K665-Q669 WeakPolarHBondContact O-CG 3.42Å; K665-Q669 PolarHBondContact O-N 2.97Å; K666-Q669 PolarHBondContact O-N 2.68Å; Q669-Q673 WeakPolarHBondContact O-CB 3.16Å; Q669-Q673 PolarHBondContact O-N 2.73Å
670	L	93.2	Very high	91.8	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-34.4	179.2	-73	170.1	0	0	0	112.5	Q593 I594 V597 K666 L667 Q668 L674	Q593-L670 HydrophobicContact CB-CD1 4.16Å; Q593-L670 HydrophobicContact CB-CD2 4.22Å; I594-L670 HydrophobicContact CD1-CB 4.27Å; I594-L670 HydrophobicContact CG1-CB 3.66Å; I594-L670 HydrophobicContact CG1-CD1 4.42Å; V597-L670 HydrophobicContact CG2-CD1 3.99Å; K666-L670 HydrophobicContact CG-CD1 4.31Å; K666-L670 WeakPolarHBondContact O-CG 3.43Å; K666-L670 PolarHBondContact O-N 2.71Å; L667-L670 PolarHBondContact O-N 2.93Å; Q668-L670 PolarHBondContact O-N 3.41Å; L670-L674 VanDerWaalsContact O-CB 3.3Å; L670-L674 WeakPolarHBondContact O-CB 3.41Å; L670-L674 PolarHBondContact O-N 3.41Å
671	R	92.6	Very high	91.8	Very high	69 Å²	69	53 Å²	53	26%	0.26	24%	0.242	S	C	.	.	H	α-helix	trans	-69.7	-46	174.8	-74.5	175.3	175.3	-178.5	-0.5	112.6	I594 E626 L667 Q668 Q673 L674 L675	I594-R671 HydrophobicContact CD1-CG 4.42Å; E626-R671 VanDerWaalsContact CD-NH1 3.28Å; E626-R671 IonicContact OE1-CZ 2.7Å; E626-R671 IonicContact OE1-NH1 3.56Å; E626-R671 PolarHBondContact OE1-NH1 3.39Å; E626-R671 IonicContact OE1-NH2 2.75Å; E626-R671 PolarHBondContact OE1-NH2 2.78Å; E626-R671 IonicContact OE2-CZ 3.01Å; E626-R671 IonicContact OE2-NH1 3.19Å; E626-R671 PolarHBondContact OE2-NH1 3.31Å; E626-R671 IonicContact OE2-NH2 2.69Å; E626-R671 PolarHBondContact OE2-NH2 3.44Å; L667-R671 WeakPolarHBondContact O-CG 3.42Å; L667-R671 PolarHBondContact O-N 3.05Å; Q668-R671 PolarHBondContact O-N 3.05Å; R671-Q673 VanDerWaalsContact C-N 3.32Å; R671-L674 PolarHBondContact O-N 2.99Å; R671-L675 PolarHBondContact O-N 3.38Å
672	E	91.1	Very high	91.9	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-40.3	174	-72.4	-174.8	174.9	0	0	111	T190 S191 A192 L193 Q668 L675 L676	T190-E672 WeakPolarHBondContact CB-OE2 3.24Å; T190-E672 PolarHBondContact OG1-OE2 2.81Å; S191-E672 PolarHBondContact N-OE1 2.94Å; S191-E672 PolarHBondContact N-OE2 3.4Å; S191-E672 PolarHBondContact OG-OE1 2.93Å; A192-E672 WeakPolarHBondContact CA-OE2 3.26Å; A192-E672 HydrophobicContact CB-CG 4.46Å; A192-E672 WeakPolarHBondContact CB-OE2 3.45Å; A192-E672 PolarHBondContact N-OE1 3.46Å; A192-E672 PolarHBondContact N-OE2 3.08Å; L193-E672 HydrophobicContact CD1-CB 4.02Å; L193-E672 HydrophobicContact CG-CB 3.91Å; L193-E672 PolarHBondContact N-OE2 3.15Å; Q668-E672 PolarHBondContact O-N 3.25Å; E672-L675 PolarHBondContact O-N 3.31Å; E672-L676 WeakPolarHBondContact O-CG 3.11Å; E672-L676 PolarHBondContact O-N 3.34Å; E672-L676 VanDerWaalsContact O-N 3.16Å
673	Q	91	Very high	91.9	Very high	61 Å²	61	47.3 Å²	47.3	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-42.9	174.1	-177.4	59.5	47.8	0	0	112.7	Q669 R671 L675 L676 D677	Q669-Q673 WeakPolarHBondContact O-CB 3.16Å; Q669-Q673 PolarHBondContact O-N 2.73Å; R671-Q673 VanDerWaalsContact C-N 3.32Å; Q673-L675 VanDerWaalsContact C-N 3.29Å; Q673-L675 PolarHBondContact O-N 3.27Å; Q673-L676 PolarHBondContact O-N 2.98Å; Q673-D677 PolarHBondContact NE2-OD2 3.06Å; Q673-D677 WeakPolarHBondContact O-CB 3.46Å; Q673-D677 PolarHBondContact O-N 2.99Å
674	L	92.9	Very high	91.9	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-40.9	174.4	176	65.9	0	0	0	110.9	T575 L587 R590 M591 I594 L670 R671 L676 D677 C678	T575-L674 HydrophobicContact CG2-CD2 4.09Å; T575-L674 HydrophobicContact CG2-CG 4.17Å; L587-L674 HydrophobicContact CD2-CD1 4.25Å; R590-L674 HydrophobicContact CB-CB 4.45Å; R590-L674 HydrophobicContact CB-CD1 3.85Å; M591-L674 HydrophobicContact CG-CD1 4.25Å; M591-L674 HydrophobicContact CG-CD2 4.21Å; I594-L674 HydrophobicContact CD1-CB 4.04Å; I594-L674 HydrophobicContact CD1-CD2 3.69Å; I594-L674 HydrophobicContact CD1-CG 4.45Å; L670-L674 VanDerWaalsContact O-CB 3.3Å; L670-L674 WeakPolarHBondContact O-CB 3.41Å; L670-L674 PolarHBondContact O-N 3.41Å; R671-L674 PolarHBondContact O-N 2.99Å; L674-L676 VanDerWaalsContact C-N 3.34Å; L674-L676 PolarHBondContact O-N 3.21Å; L674-D677 PolarHBondContact O-N 3.32Å; L674-C678 VanDerWaalsContact O-CB 3.24Å; L674-C678 WeakPolarHBondContact O-CB 3.04Å; L674-C678 PolarHBondContact O-N 3.48Å; L674-C678 PolarHBondContact O-SG 2.98Å
675	L	91.1	Very high	91.9	Very high	88 Å²	88	49.7 Å²	49.7	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-40.5	177.5	-173.7	65.5	0	0	0	112.1	T575 R671 E672 Q673 Q679	T575-L675 HydrophobicContact CG2-CD1 4.41Å; R671-L675 PolarHBondContact O-N 3.38Å; E672-L675 PolarHBondContact O-N 3.31Å; Q673-L675 VanDerWaalsContact C-N 3.29Å; Q673-L675 PolarHBondContact O-N 3.27Å; L675-Q679 WeakPolarHBondContact O-CB 3.21Å; L675-Q679 PolarHBondContact O-N 3.44Å
676	L	90.2	Very high	92.1	Very high	85 Å²	85	45.2 Å²	45.2	45%	0.445	20%	0.204	S	C	.	.	H	α-helix	trans	-68.3	-44.1	175.1	-66.4	176	0	0	0	112.4	L193 E672 Q673 L674 Q679 R680	L193-L676 HydrophobicContact CD1-CD1 3.58Å; E672-L676 WeakPolarHBondContact O-CG 3.11Å; E672-L676 PolarHBondContact O-N 3.34Å; E672-L676 VanDerWaalsContact O-N 3.16Å; Q673-L676 PolarHBondContact O-N 2.98Å; L674-L676 VanDerWaalsContact C-N 3.34Å; L674-L676 PolarHBondContact O-N 3.21Å; L676-Q679 PolarHBondContact O-N 3.44Å; L676-R680 PolarHBondContact O-N 3.42Å
677	D	92.1	Very high	92.1	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.8	-78.5	-46.5	0	0	0	110.6	L587 R590 Q673 L674 Q679 R680 E681	L587-D677 HydrophobicContact CD2-CB 3.84Å; R590-D677 IonicContact CZ-OD2 3.62Å; R590-D677 IonicContact NE-OD2 1.78Å; R590-D677 PolarHBondContact NE-OD2 2.98Å; Q673-D677 PolarHBondContact NE2-OD2 3.06Å; Q673-D677 WeakPolarHBondContact O-CB 3.46Å; Q673-D677 PolarHBondContact O-N 2.99Å; L674-D677 PolarHBondContact O-N 3.32Å; D677-Q679 PolarHBondContact O-N 3.39Å; D677-R680 PolarHBondContact O-N 3.35Å; D677-R680 IonicContact OD1-CZ 3.73Å; D677-R680 IonicContact OD1-NH1 3.83Å; D677-R680 PolarHBondContact OD1-NH1 3.4Å; D677-R680 IonicContact OD1-NH2 3.89Å; D677-R680 PolarHBondContact OD1-NH2 3.46Å; D677-E681 WeakPolarHBondContact O-CG 3.21Å; D677-E681 PolarHBondContact O-N 3.19Å
678	C	92.8	Very high	92.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-39.2	173.5	-74.8	0	0	0	0	113	K574 L674 R680 E681 W682	K574-C678 HydrophobicContact CB-CB 4.39Å; L674-C678 VanDerWaalsContact O-CB 3.24Å; L674-C678 WeakPolarHBondContact O-CB 3.04Å; L674-C678 PolarHBondContact O-N 3.48Å; L674-C678 PolarHBondContact O-SG 2.98Å; C678-R680 VanDerWaalsContact C-N 3.34Å; C678-E681 PolarHBondContact O-N 2.8Å; C678-W682 VanDerWaalsContact O-CB 3.24Å; C678-W682 WeakPolarHBondContact O-CB 3.35Å; C678-W682 PolarHBondContact O-N 2.92Å
679	Q	90.9	Very high	92.2	Very high	65 Å²	65	45.3 Å²	45.3	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-67.1	-34.7	176.8	177.6	58.3	51	0	0	111.9	L675 L676 D677 T683	L675-Q679 WeakPolarHBondContact O-CB 3.21Å; L675-Q679 PolarHBondContact O-N 3.44Å; L676-Q679 PolarHBondContact O-N 3.44Å; D677-Q679 PolarHBondContact O-N 3.39Å; Q679-T683 PolarHBondContact NE2-OG1 2.92Å; Q679-T683 PolarHBondContact O-N 2.73Å; Q679-T683 VanDerWaalsContact O-N 3.08Å; Q679-T683 PolarHBondContact O-OG1 2.73Å
680	R	91.3	Very high	92.2	Very high	117 Å²	117	43.9 Å²	43.9	44%	0.442	20%	0.203	S	C	.	.	H	α-helix	trans	-66.7	-48.8	173.7	-176.8	-174.6	62.3	-112.1	-13.5	111.6	L676 D677 C678 W682 T683 R684	L676-R680 PolarHBondContact O-N 3.42Å; D677-R680 PolarHBondContact O-N 3.35Å; D677-R680 IonicContact OD1-CZ 3.73Å; D677-R680 IonicContact OD1-NH1 3.83Å; D677-R680 PolarHBondContact OD1-NH1 3.4Å; D677-R680 IonicContact OD1-NH2 3.89Å; D677-R680 PolarHBondContact OD1-NH2 3.46Å; C678-R680 VanDerWaalsContact C-N 3.34Å; R680-W682 VanDerWaalsContact C-N 3.27Å; R680-W682 PolarHBondContact O-N 2.93Å; R680-T683 PolarHBondContact O-N 3.12Å; R680-R684 PolarHBondContact O-N 3.16Å
681	E	92.4	Very high	92	Very high	19 Å²	19	50.5 Å²	50.5	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-27.9	178.5	-53.6	-40.5	136	0	0	112	F584 L587 D677 C678 R684 F685	F584-E681 HydrophobicContact CD1-CB 4.02Å; F584-E681 HydrophobicContact CD1-CG 4.2Å; F584-E681 HydrophobicContact CE1-CB 4.1Å; L587-E681 HydrophobicContact CD1-CB 4.38Å; L587-E681 HydrophobicContact CD1-CG 4.28Å; L587-E681 HydrophobicContact CD2-CG 4.22Å; L587-E681 HydrophobicContact CG-CG 4.24Å; D677-E681 WeakPolarHBondContact O-CG 3.21Å; D677-E681 PolarHBondContact O-N 3.19Å; C678-E681 PolarHBondContact O-N 2.8Å; E681-R684 PolarHBondContact O-N 3.47Å; E681-F685 WeakPolarHBondContact O-CB 3.44Å; E681-F685 PolarHBondContact O-N 2.84Å
682	W	93.4	Very high	92.1	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-51.7	169.1	176.7	-115.8	0	0	0	112.1	S508 T510 F513 K574 L577 C678 R680 R684 F685 L686	S508-W682 PolarHBondContact O-NE1 3.36Å; T510-W682 HydrophobicContact CG2-CD2 4.36Å; T510-W682 HydrophobicContact CG2-CE3 4.49Å; T510-W682 HydrophobicContact CG2-CH2 4.04Å; T510-W682 HydrophobicContact CG2-CZ2 3.88Å; T510-W682 HydrophobicContact CG2-CZ3 4.35Å; F513-W682 HydrophobicContact CB-CH2 3.62Å; F513-W682 HydrophobicContact CB-CZ2 4.09Å; F513-W682 HydrophobicContact CD1-CH2 4.18Å; F513-W682 HydrophobicContact CD2-CH2 4.09Å; F513-W682 AromaticContact CG-CH2 3.69Å; F513-W682 HydrophobicContact CG-CH2 3.69Å; F513-W682 HydrophobicContact CG-CZ2 4.49Å; F513-W682 HydrophobicContact CG-CZ3 4.49Å; K574-W682 HydrophobicContact CD-CG 4.47Å; L577-W682 HydrophobicContact CD2-CD2 4.28Å; L577-W682 HydrophobicContact CD2-CE3 3.48Å; L577-W682 VanDerWaalsContact CD2-CE3 3.48Å; L577-W682 HydrophobicContact CD2-CZ3 3.65Å; C678-W682 VanDerWaalsContact O-CB 3.24Å; C678-W682 WeakPolarHBondContact O-CB 3.35Å; C678-W682 PolarHBondContact O-N 2.92Å; R680-W682 VanDerWaalsContact C-N 3.27Å; R680-W682 PolarHBondContact O-N 2.93Å; W682-R684 VanDerWaalsContact C-N 3.27Å; W682-R684 PolarHBondContact O-N 2.82Å; W682-F685 HydrophobicContact CE3-CD1 4.13Å; W682-F685 AromaticContact CZ3-CD1 3.82Å; W682-F685 HydrophobicContact CZ3-CD1 3.82Å; W682-F685 HydrophobicContact CZ3-CE1 4.18Å; W682-F685 WeakPolarHBondContact O-CB 3.42Å; W682-F685 PolarHBondContact O-N 2.81Å; W682-F685 VanDerWaalsContact O-N 3.13Å; W682-L686 HydrophobicContact CD2-CG 4.34Å; W682-L686 HydrophobicContact CH2-CD2 3.88Å; W682-L686 HydrophobicContact CZ2-CD1 4.21Å; W682-L686 HydrophobicContact CZ2-CD2 3.68Å; W682-L686 HydrophobicContact CZ2-CG 4.17Å; W682-L686 HydrophobicContact CZ3-CD2 4.41Å; W682-L686 WeakPolarHBondContact O-CG 3.46Å; W682-L686 PolarHBondContact O-N 2.94Å
683	T	92.1	Very high	92.1	Very high	49 Å²	49	49.3 Å²	49.3	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-42	175.9	-60.8	0	0	0	0	111.3	Q679 R680 F685 L686 D687	Q679-T683 PolarHBondContact NE2-OG1 2.92Å; Q679-T683 PolarHBondContact O-N 2.73Å; Q679-T683 VanDerWaalsContact O-N 3.08Å; Q679-T683 PolarHBondContact O-OG1 2.73Å; R680-T683 PolarHBondContact O-N 3.12Å; T683-F685 VanDerWaalsContact C-N 3.35Å; T683-F685 PolarHBondContact O-N 3.01Å; T683-L686 PolarHBondContact O-N 3.2Å; T683-D687 PolarHBondContact O-N 3.42Å
684	R	92.2	Very high	92.1	Very high	149 Å²	149	48.9 Å²	48.9	56%	0.562	23%	0.229	S	C	*	.	H	α-helix	trans	-60.5	-40.7	175.4	-174.8	-179.1	-173.3	155.5	7.5	113.1	R680 E681 W682 D687 Q688	R680-R684 PolarHBondContact O-N 3.16Å; E681-R684 PolarHBondContact O-N 3.47Å; W682-R684 VanDerWaalsContact C-N 3.27Å; W682-R684 PolarHBondContact O-N 2.82Å; R684-D687 PolarHBondContact O-N 3.16Å; R684-Q688 WeakPolarHBondContact O-CG 3.24Å; R684-Q688 PolarHBondContact O-N 3.18Å
685	F	93.2	Very high	92.1	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-36.3	177.7	-177.1	-100.2	0	0	0	112	F513 F560 L564 F578 E681 W682 T683 F689	F513-F685 AromaticContact CE1-CE1 3.74Å; F513-F685 HydrophobicContact CE1-CE1 3.74Å; F513-F685 HydrophobicContact CE1-CZ 4.46Å; F513-F685 HydrophobicContact CE2-CE1 4.26Å; F513-F685 HydrophobicContact CZ-CD1 4.28Å; F513-F685 AromaticContact CZ-CE1 3.58Å; F513-F685 HydrophobicContact CZ-CE1 3.58Å; F513-F685 HydrophobicContact CZ-CZ 4.35Å; F560-F685 HydrophobicContact CB-CZ 4.1Å; F560-F685 HydrophobicContact CD1-CD2 4.37Å; F560-F685 HydrophobicContact CD1-CE1 4.3Å; F560-F685 AromaticContact CD1-CE2 3.78Å; F560-F685 HydrophobicContact CD1-CE2 3.78Å; F560-F685 AromaticContact CD1-CZ 3.75Å; F560-F685 HydrophobicContact CD1-CZ 3.75Å; F560-F685 HydrophobicContact CE1-CE2 4.5Å; F560-F685 HydrophobicContact CG-CZ 4.43Å; L564-F685 HydrophobicContact CD1-CE1 4.26Å; L564-F685 HydrophobicContact CD1-CZ 4.45Å; L564-F685 HydrophobicContact CD2-CE1 3.97Å; L564-F685 HydrophobicContact CD2-CZ 3.94Å; L564-F685 HydrophobicContact CG-CE1 4.4Å; L564-F685 HydrophobicContact CG-CZ 4.21Å; F578-F685 HydrophobicContact CE1-CB 4.4Å; F578-F685 HydrophobicContact CE1-CD1 4.29Å; F578-F685 AromaticContact CE1-CD2 3.94Å; F578-F685 HydrophobicContact CE1-CD2 3.94Å; F578-F685 HydrophobicContact CE1-CE2 4.19Å; F578-F685 AromaticContact CE1-CG 3.98Å; F578-F685 HydrophobicContact CE1-CG 3.98Å; F578-F685 HydrophobicContact CE1-CZ 4.47Å; F578-F685 HydrophobicContact CZ-CB 4.32Å; F578-F685 HydrophobicContact CZ-CG 4.37Å; E681-F685 WeakPolarHBondContact O-CB 3.44Å; E681-F685 PolarHBondContact O-N 2.84Å; W682-F685 HydrophobicContact CE3-CD1 4.13Å; W682-F685 AromaticContact CZ3-CD1 3.82Å; W682-F685 HydrophobicContact CZ3-CD1 3.82Å; W682-F685 HydrophobicContact CZ3-CE1 4.18Å; W682-F685 WeakPolarHBondContact O-CB 3.42Å; W682-F685 PolarHBondContact O-N 2.81Å; W682-F685 VanDerWaalsContact O-N 3.13Å; T683-F685 VanDerWaalsContact C-N 3.35Å; T683-F685 PolarHBondContact O-N 3.01Å; F685-F689 PolarHBondContact O-N 2.93Å; F685-F689 VanDerWaalsContact O-N 3.1Å
686	L	93.9	Very high	92.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-41.9	170.7	-63.1	179.1	0	0	0	111.9	I503 F513 W682 T683 Q688 F689 G690	I503-L686 HydrophobicContact CG2-CD2 3.93Å; F513-L686 HydrophobicContact CD2-CD2 3.4Å; F513-L686 VanDerWaalsContact CD2-CD2 3.4Å; F513-L686 HydrophobicContact CE2-CD2 3.85Å; F513-L686 HydrophobicContact CG-CD2 4.33Å; W682-L686 HydrophobicContact CD2-CG 4.34Å; W682-L686 HydrophobicContact CH2-CD2 3.88Å; W682-L686 HydrophobicContact CZ2-CD1 4.21Å; W682-L686 HydrophobicContact CZ2-CD2 3.68Å; W682-L686 HydrophobicContact CZ2-CG 4.17Å; W682-L686 HydrophobicContact CZ3-CD2 4.41Å; W682-L686 WeakPolarHBondContact O-CG 3.46Å; W682-L686 PolarHBondContact O-N 2.94Å; T683-L686 PolarHBondContact O-N 3.2Å; L686-Q688 PolarHBondContact O-N 3.26Å; L686-F689 PolarHBondContact O-N 3.2Å; L686-G690 PolarHBondContact O-N 3Å
687	D	91.9	Very high	92.3	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-42.4	176.3	-73.7	-31.6	0	0	0	111.7	R392 T683 R684 G690 E691	R392-D687 IonicContact CZ-OD1 3.66Å; R392-D687 IonicContact NH1-OD1 2.71Å; R392-D687 PolarHBondContact NH1-OD1 2.98Å; R392-D687 IonicContact NH2-OD1 2.75Å; R392-D687 PolarHBondContact NH2-OD1 3.41Å; R392-D687 IonicContact NH2-OD2 2.73Å; T683-D687 PolarHBondContact O-N 3.42Å; R684-D687 PolarHBondContact O-N 3.16Å; D687-G690 WeakPolarHBondContact O-CA 3.26Å; D687-G690 PolarHBondContact O-N 3.28Å; D687-E691 PolarHBondContact O-N 2.92Å
688	Q	92.9	Very high	92.4	Very high	81 Å²	81	49.9 Å²	49.9	38%	0.379	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-40.4	175.1	-73.8	176	-36.2	0	0	113	F560 R684 L686 G690 E691	F560-Q688 HydrophobicContact CE1-CB 4.18Å; R684-Q688 WeakPolarHBondContact O-CG 3.24Å; R684-Q688 PolarHBondContact O-N 3.18Å; L686-Q688 PolarHBondContact O-N 3.26Å; Q688-G690 PolarHBondContact O-N 3.08Å; Q688-E691 WeakPolarHBondContact O-CB 3.12Å; Q688-E691 PolarHBondContact O-N 3.09Å
689	F	93.5	Very high	92.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-34.3	171.4	-175.8	-81.8	0	0	0	111.3	I500 I503 F513 L520 F560 F685 L686 E691 H692 M696	I500-F689 HydrophobicContact CG2-CE1 4.32Å; I503-F689 HydrophobicContact CB-CD1 4.33Å; I503-F689 HydrophobicContact CB-CE1 4.36Å; I503-F689 HydrophobicContact CD1-CE1 4.07Å; I503-F689 HydrophobicContact CD1-CZ 4.35Å; I503-F689 HydrophobicContact CG2-CB 4.25Å; I503-F689 HydrophobicContact CG2-CD1 3.28Å; I503-F689 HydrophobicContact CG2-CE1 3.74Å; I503-F689 HydrophobicContact CG2-CG 3.95Å; F513-F689 HydrophobicContact CE2-CB 4.07Å; F513-F689 HydrophobicContact CE2-CD1 4.38Å; F513-F689 AromaticContact CE2-CD2 3.77Å; F513-F689 HydrophobicContact CE2-CD2 3.77Å; F513-F689 HydrophobicContact CE2-CE2 4.25Å; F513-F689 AromaticContact CE2-CG 3.83Å; F513-F689 HydrophobicContact CE2-CG 3.83Å; F513-F689 HydrophobicContact CZ-CB 4.44Å; F513-F689 AromaticContact CZ-CD2 3.64Å; F513-F689 HydrophobicContact CZ-CD2 3.64Å; F513-F689 HydrophobicContact CZ-CE2 4.07Å; F513-F689 HydrophobicContact CZ-CG 4.16Å; L520-F689 HydrophobicContact CD1-CZ 4.26Å; F560-F689 HydrophobicContact CB-CD2 4.28Å; F560-F689 HydrophobicContact CD1-CB 4.23Å; F560-F689 HydrophobicContact CD1-CD2 4.17Å; F560-F689 AromaticContact CD2-CD2 3.79Å; F560-F689 HydrophobicContact CD2-CD2 3.79Å; F560-F689 HydrophobicContact CD2-CE2 4.44Å; F560-F689 HydrophobicContact CE1-CB 3.95Å; F560-F689 HydrophobicContact CE1-CD2 4.5Å; F560-F689 HydrophobicContact CE2-CD2 4.17Å; F560-F689 AromaticContact CG-CD2 3.81Å; F560-F689 HydrophobicContact CG-CD2 3.81Å; F560-F689 HydrophobicContact CZ-CB 4.17Å; F685-F689 PolarHBondContact O-N 2.93Å; F685-F689 VanDerWaalsContact O-N 3.1Å; L686-F689 PolarHBondContact O-N 3.2Å; F689-E691 PolarHBondContact O-N 3.17Å; F689-H692 PolarHBondContact O-N 3.28Å; F689-H692 VanDerWaalsContact O-N 3.07Å; F689-M696 HydrophobicContact CD1-CE 3.84Å; F689-M696 HydrophobicContact CD2-CE 4.44Å; F689-M696 HydrophobicContact CE1-CE 3.31Å; F689-M696 HydrophobicContact CE1-SD 4.13Å; F689-M696 HydrophobicContact CE2-CE 3.97Å; F689-M696 HydrophobicContact CE2-SD 4.09Å; F689-M696 HydrophobicContact CG-CE 4.4Å; F689-M696 HydrophobicContact CZ-CE 3.39Å; F689-M696 HydrophobicContact CZ-SD 3.6Å; F689-M696 VanDerWaalsContact CZ-SD 3.6Å
690	G	90.9	Very high	92.7	Very high	7 Å²	7	46.7 Å²	46.7	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-26.8	177	0	0	0	0	0	114.5	L686 D687 Q688 H692 Y693	L686-G690 PolarHBondContact O-N 3Å; D687-G690 WeakPolarHBondContact O-CA 3.26Å; D687-G690 PolarHBondContact O-N 3.28Å; Q688-G690 PolarHBondContact O-N 3.08Å; G690-H692 PolarHBondContact O-N 3.15Å; G690-Y693 WeakPolarHBondContact O-CB 3.26Å; G690-Y693 PolarHBondContact O-N 2.99Å; G690-Y693 VanDerWaalsContact O-N 3.11Å
691	E	90.8	Very high	92.9	Very high	152 Å²	152	43.3 Å²	43.3	71%	0.71	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.2	173.2	-62.5	179.7	-155.6	0	0	112.3	D687 Q688 F689	D687-E691 PolarHBondContact O-N 2.92Å; Q688-E691 WeakPolarHBondContact O-CB 3.12Å; Q688-E691 PolarHBondContact O-N 3.09Å; F689-E691 PolarHBondContact O-N 3.17Å
692	H	93.1	Very high	93	Very high	64 Å²	64	44 Å²	44	30%	0.296	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	1.4	179.2	-59.7	-66.1	0	0	0	114.1	P556 F560 F689 G690 H694 T695 M696	P556-H692 HydrophobicContact CB-CB 4.39Å; F560-H692 AromaticContact CE2-CD2 3.69Å; F560-H692 AromaticContact CZ-CD2 3.96Å; F689-H692 PolarHBondContact O-N 3.28Å; F689-H692 VanDerWaalsContact O-N 3.07Å; G690-H692 PolarHBondContact O-N 3.15Å; H692-H694 PolarHBondContact O-N 3.39Å; H692-T695 WeakPolarHBondContact O-CB 3.38Å; H692-T695 PolarHBondContact O-N 2.88Å; H692-T695 VanDerWaalsContact O-N 3.1Å; H692-M696 HydrophobicContact CB-CE 3.67Å; H692-M696 PolarHBondContact O-N 3.48Å; H692-M696 VanDerWaalsContact O-N 3.11Å
693	Y	92.1	Very high	93.2	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-51	-50.5	-173.5	164.3	-109.8	0	0	0	113.5	I500 Y504 G690 T695 M696 K697	I500-Y693 HydrophobicContact CB-CD2 4.35Å; I500-Y693 HydrophobicContact CD1-CD2 3.8Å; I500-Y693 HydrophobicContact CD1-CE2 3.81Å; I500-Y693 HydrophobicContact CG1-CD2 4.12Å; I500-Y693 HydrophobicContact CG1-CE2 4.02Å; Y504-Y693 HydrophobicContact CD1-CD1 4.12Å; Y504-Y693 HydrophobicContact CD1-CE1 4.18Å; Y504-Y693 HydrophobicContact CD1-CG 4.32Å; Y504-Y693 AromaticContact CD2-CD1 3.84Å; Y504-Y693 HydrophobicContact CD2-CD1 3.84Å; Y504-Y693 HydrophobicContact CD2-CD2 4.28Å; Y504-Y693 AromaticContact CD2-CG 3.62Å; Y504-Y693 HydrophobicContact CD2-CG 3.62Å; Y504-Y693 HydrophobicContact CE1-CD1 4.12Å; Y504-Y693 HydrophobicContact CE1-CE1 4.17Å; Y504-Y693 AromaticContact CE2-CD1 3.84Å; Y504-Y693 HydrophobicContact CE2-CD1 3.84Å; Y504-Y693 HydrophobicContact CE2-CG 4.07Å; Y504-Y693 AromaticContact CG-CD1 3.98Å; Y504-Y693 HydrophobicContact CG-CD1 3.98Å; Y504-Y693 AromaticContact CG-CD2 4Å; Y504-Y693 HydrophobicContact CG-CD2 4Å; Y504-Y693 HydrophobicContact CG-CE1 4.43Å; Y504-Y693 HydrophobicContact CG-CE2 4.46Å; Y504-Y693 AromaticContact CG-CG 3.76Å; Y504-Y693 HydrophobicContact CG-CG 3.76Å; Y504-Y693 AromaticContact CZ-CD1 3.99Å; G690-Y693 WeakPolarHBondContact O-CB 3.26Å; G690-Y693 PolarHBondContact O-N 2.99Å; G690-Y693 VanDerWaalsContact O-N 3.11Å; Y693-T695 VanDerWaalsContact C-N 3.32Å; Y693-T695 PolarHBondContact O-N 2.78Å; Y693-M696 PolarHBondContact O-N 3.21Å; Y693-K697 HydrophobicContact CE2-CD 4.37Å; Y693-K697 WeakPolarHBondContact O-CB 3.4Å; Y693-K697 PolarHBondContact O-N 2.84Å; Y693-K697 WeakPolarHBondContact OH-CD 3.27Å
694	H	90.3	Very high	93.4	Very high	52 Å²	52	42 Å²	42	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-32.9	-177.9	-62.7	-75.9	0	0	0	112.9	N396 S399 H692 R698	N396-H694 PolarHBondContact ND2-CD2 2.76Å; N396-H694 VanDerWaalsContact ND2-CD2 3.29Å; N396-H694 PolarHBondContact ND2-CE1 3.44Å; N396-H694 PolarHBondContact ND2-NE2 3.47Å; S399-H694 PolarHBondContact OG-CE1 2.88Å; H692-H694 PolarHBondContact O-N 3.39Å; H694-R698 WeakPolarHBondContact O-CG 3.48Å; H694-R698 PolarHBondContact O-N 3.24Å
695	T	92.9	Very high	93.6	Very high	52 Å²	52	36 Å²	36	32%	0.319	18%	0.176	S	C	.	.	H	α-helix	trans	-65	-48	175.7	-49.5	0	0	0	0	110.6	L553 H692 Y693 R698 A699	L553-T695 HydrophobicContact CB-CG2 4.17Å; L553-T695 HydrophobicContact CD2-CG2 3.5Å; L553-T695 VanDerWaalsContact CD2-CG2 3.5Å; L553-T695 HydrophobicContact CG-CG2 4.45Å; H692-T695 WeakPolarHBondContact O-CB 3.38Å; H692-T695 PolarHBondContact O-N 2.88Å; H692-T695 VanDerWaalsContact O-N 3.1Å; Y693-T695 VanDerWaalsContact C-N 3.32Å; Y693-T695 PolarHBondContact O-N 2.78Å; T695-R698 WeakPolarHBondContact O-CB 3.36Å; T695-R698 PolarHBondContact O-N 3.4Å; T695-A699 PolarHBondContact O-N 3.26Å
696	M	93.8	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71	-33.6	177.5	-69.3	178.1	-69.2	0	0	112.5	I500 L520 F689 H692 Y693 R698 A699 I700	I500-M696 HydrophobicContact CD1-CB 4.37Å; L520-M696 HydrophobicContact CD1-SD 4.01Å; F689-M696 HydrophobicContact CD1-CE 3.84Å; F689-M696 HydrophobicContact CD2-CE 4.44Å; F689-M696 HydrophobicContact CE1-CE 3.31Å; F689-M696 HydrophobicContact CE1-SD 4.13Å; F689-M696 HydrophobicContact CE2-CE 3.97Å; F689-M696 HydrophobicContact CE2-SD 4.09Å; F689-M696 HydrophobicContact CG-CE 4.4Å; F689-M696 HydrophobicContact CZ-CE 3.39Å; F689-M696 HydrophobicContact CZ-SD 3.6Å; F689-M696 VanDerWaalsContact CZ-SD 3.6Å; H692-M696 HydrophobicContact CB-CE 3.67Å; H692-M696 PolarHBondContact O-N 3.48Å; H692-M696 VanDerWaalsContact O-N 3.11Å; Y693-M696 PolarHBondContact O-N 3.21Å; M696-R698 VanDerWaalsContact C-N 3.32Å; M696-R698 PolarHBondContact O-N 3.23Å; M696-A699 WeakPolarHBondContact O-CB 3.41Å; M696-A699 PolarHBondContact O-N 3.15Å; M696-I700 WeakPolarHBondContact O-CG1 3.3Å; M696-I700 PolarHBondContact O-N 3.42Å
697	K	92.7	Very high	93.8	Very high	24 Å²	24	35.7 Å²	35.7	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-35.5	172.9	-174.8	161.4	176.4	171.1	0	112.1	T273 G274 D275 I500 Y693 I700 S701	T273-K697 PolarHBondContact O-NZ 3.42Å; G274-K697 PolarHBondContact O-NZ 2.56Å; D275-K697 WeakPolarHBondContact OD1-CE 3.42Å; D275-K697 IonicContact OD1-NZ 2.69Å; D275-K697 PolarHBondContact OD1-NZ 3.21Å; I500-K697 HydrophobicContact CD1-CB 3.78Å; Y693-K697 HydrophobicContact CE2-CD 4.37Å; Y693-K697 WeakPolarHBondContact O-CB 3.4Å; Y693-K697 PolarHBondContact O-N 2.84Å; Y693-K697 WeakPolarHBondContact OH-CD 3.27Å; K697-I700 PolarHBondContact O-N 2.96Å; K697-S701 PolarHBondContact O-N 3.38Å
698	R	93.2	Very high	94.1	Very high	134 Å²	134	32.9 Å²	32.9	51%	0.506	16%	0.16	S	C	.	.	H	α-helix	trans	-61.4	-48.4	169.9	-77.7	179.2	57.2	-168.1	-7.1	111.9	L553 H694 T695 M696 I700 S701 H702	L553-R698 HydrophobicContact CD1-CB 4.18Å; H694-R698 WeakPolarHBondContact O-CG 3.48Å; H694-R698 PolarHBondContact O-N 3.24Å; T695-R698 WeakPolarHBondContact O-CB 3.36Å; T695-R698 PolarHBondContact O-N 3.4Å; M696-R698 VanDerWaalsContact C-N 3.32Å; M696-R698 PolarHBondContact O-N 3.23Å; R698-I700 VanDerWaalsContact C-N 3.32Å; R698-I700 PolarHBondContact O-N 3.26Å; R698-S701 WeakPolarHBondContact O-CA 3.49Å; R698-S701 WeakPolarHBondContact O-CB 3.42Å; R698-S701 PolarHBondContact O-N 3.01Å; R698-H702 PolarHBondContact O-CD2 3.39Å; R698-H702 PolarHBondContact O-N 2.79Å
699	A	95.5	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.7	-46.7	175.6	0	0	0	0	0	112.3	T550 L553 L554 T695 M696 S701 H702 L703	T550-A699 HydrophobicContact CG2-CB 4.33Å; L553-A699 HydrophobicContact CB-CB 3.81Å; L553-A699 HydrophobicContact CD1-CB 4.46Å; L554-A699 HydrophobicContact CD2-CB 3.58Å; L554-A699 HydrophobicContact CG-CB 3.77Å; T695-A699 PolarHBondContact O-N 3.26Å; M696-A699 WeakPolarHBondContact O-CB 3.41Å; M696-A699 PolarHBondContact O-N 3.15Å; A699-S701 VanDerWaalsContact C-N 3.31Å; A699-S701 PolarHBondContact O-N 2.97Å; A699-H702 WeakPolarHBondContact O-CB 3.31Å; A699-H702 PolarHBondContact O-N 3.24Å; A699-H702 VanDerWaalsContact O-N 3.09Å; A699-L703 WeakPolarHBondContact O-CG 3.29Å; A699-L703 PolarHBondContact O-N 3.13Å
700	I	95.4	Very high	94.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-35.6	177.7	-63.3	160.4	0	0	0	111.2	F446 L496 E497 I500 L520 M696 K697 R698 H702 L703 A704	F446-I700 HydrophobicContact CB-CG2 4.22Å; F446-I700 HydrophobicContact CD1-CG2 4.04Å; F446-I700 HydrophobicContact CD2-CG2 3.9Å; F446-I700 HydrophobicContact CE1-CG2 4.38Å; F446-I700 HydrophobicContact CE2-CG2 4.22Å; F446-I700 HydrophobicContact CG-CG2 3.79Å; F446-I700 HydrophobicContact CZ-CG2 4.45Å; L496-I700 HydrophobicContact CB-CD1 3.76Å; L496-I700 HydrophobicContact CB-CG1 4.03Å; E497-I700 HydrophobicContact CB-CG2 4.08Å; I500-I700 HydrophobicContact CD1-CD1 3.63Å; I500-I700 HydrophobicContact CG1-CD1 4Å; I500-I700 HydrophobicContact CG2-CD1 4.26Å; L520-I700 HydrophobicContact CD2-CD1 4.39Å; L520-I700 HydrophobicContact CD2-CG1 4.43Å; M696-I700 WeakPolarHBondContact O-CG1 3.3Å; M696-I700 PolarHBondContact O-N 3.42Å; K697-I700 PolarHBondContact O-N 2.96Å; R698-I700 VanDerWaalsContact C-N 3.32Å; R698-I700 PolarHBondContact O-N 3.26Å; I700-H702 VanDerWaalsContact C-N 3.31Å; I700-H702 PolarHBondContact O-N 3.28Å; I700-L703 PolarHBondContact O-N 2.95Å; I700-A704 WeakPolarHBondContact O-CB 3.43Å; I700-A704 PolarHBondContact O-N 2.89Å
701	S	94.5	Very high	94.5	Very high	46 Å²	46	29.1 Å²	29.1	32%	0.322	14%	0.141	S	C	.	.	H	α-helix	trans	-65.4	-31.2	172.7	-167.3	0	0	0	0	113.2	K697 R698 A699 T705	K697-S701 PolarHBondContact O-N 3.38Å; R698-S701 WeakPolarHBondContact O-CA 3.49Å; R698-S701 WeakPolarHBondContact O-CB 3.42Å; R698-S701 PolarHBondContact O-N 3.01Å; A699-S701 VanDerWaalsContact C-N 3.31Å; A699-S701 PolarHBondContact O-N 2.97Å; S701-T705 WeakPolarHBondContact O-CB 3.48Å; S701-T705 PolarHBondContact O-N 3.19Å; S701-T705 VanDerWaalsContact O-N 3.1Å; S701-T705 PolarHBondContact O-OG1 2.57Å
702	H	95.8	Very high	94.8	Very high	33 Å²	33	21.9 Å²	21.9	15%	0.153	11%	0.107	C	C	.	.	H	α-helix	trans	-73.4	-40.3	173.9	-58.9	-49.8	0	0	0	111.5	L546 T550 R698 A699 I700 T705 T706	L546-H702 HydrophobicContact CB-CB 4.34Å; L546-H702 HydrophobicContact CD2-CB 3.92Å; L546-H702 WeakPolarHBondContact CD2-ND1 3.39Å; T550-H702 WeakPolarHBondContact OG1-CB 3.49Å; R698-H702 PolarHBondContact O-CD2 3.39Å; R698-H702 PolarHBondContact O-N 2.79Å; A699-H702 WeakPolarHBondContact O-CB 3.31Å; A699-H702 PolarHBondContact O-N 3.24Å; A699-H702 VanDerWaalsContact O-N 3.09Å; I700-H702 VanDerWaalsContact C-N 3.31Å; I700-H702 PolarHBondContact O-N 3.28Å; H702-T705 PolarHBondContact O-N 2.62Å; H702-T706 PolarHBondContact O-N 3.31Å; H702-T706 PolarHBondContact O-OG1 2.93Å
703	L	96	Very high	94.9	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-45.8	171.5	-65.3	173.6	0	0	0	111.8	F446 L490 L523 L527 T550 A699 I700 T705 T706 D707	F446-L703 HydrophobicContact CE2-CB 4.07Å; L490-L703 HydrophobicContact CD2-CB 4.26Å; L490-L703 HydrophobicContact CD2-CD2 4.2Å; L523-L703 HydrophobicContact CD1-CD1 4.01Å; L527-L703 HydrophobicContact CD1-CD2 4.17Å; T550-L703 HydrophobicContact CG2-CD2 4.14Å; T550-L703 HydrophobicContact CG2-CG 4.24Å; A699-L703 WeakPolarHBondContact O-CG 3.29Å; A699-L703 PolarHBondContact O-N 3.13Å; I700-L703 PolarHBondContact O-N 2.95Å; L703-T705 VanDerWaalsContact C-N 3.31Å; L703-T705 PolarHBondContact O-N 3.13Å; L703-T706 WeakPolarHBondContact O-CB 3.33Å; L703-T706 PolarHBondContact O-N 2.85Å; L703-T706 VanDerWaalsContact O-N 3.13Å; L703-D707 PolarHBondContact O-N 3.37Å
704	A	96.1	Very high	94.9	Very high	5 Å²	5	21.2 Å²	21.2	4%	0.041	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-44.3	175.1	0	0	0	0	0	111.8	F446 L450 I700 T706 D707 C708	F446-A704 HydrophobicContact CD2-CB 3.84Å; L450-A704 HydrophobicContact CB-CB 4.27Å; L450-A704 HydrophobicContact CD2-CB 3.7Å; I700-A704 WeakPolarHBondContact O-CB 3.43Å; I700-A704 PolarHBondContact O-N 2.89Å; A704-T706 VanDerWaalsContact C-N 3.32Å; A704-T706 PolarHBondContact O-N 3.3Å; A704-D707 PolarHBondContact O-N 3.23Å; A704-C708 PolarHBondContact O-N 2.87Å; A704-C708 PolarHBondContact O-SG 2.89Å
705	T	96.8	Very high	95.1	Very high	21 Å²	21	18.7 Å²	18.7	13%	0.129	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-40	177.1	-58.7	0	0	0	0	111.4	W454 L546 S701 H702 L703 C708 L709	W454-T705 HydrophobicContact CH2-CG2 4.11Å; W454-T705 HydrophobicContact CZ2-CG2 4.01Å; L546-T705 HydrophobicContact CD1-CG2 3.52Å; L546-T705 HydrophobicContact CD2-CG2 4.37Å; S701-T705 WeakPolarHBondContact O-CB 3.48Å; S701-T705 PolarHBondContact O-N 3.19Å; S701-T705 VanDerWaalsContact O-N 3.1Å; S701-T705 PolarHBondContact O-OG1 2.57Å; H702-T705 PolarHBondContact O-N 2.62Å; L703-T705 VanDerWaalsContact C-N 3.31Å; L703-T705 PolarHBondContact O-N 3.13Å; T705-C708 PolarHBondContact O-N 3.38Å; T705-L709 HydrophobicContact CG2-CD1 4.16Å; T705-L709 VanDerWaalsContact O-CG 3.3Å; T705-L709 WeakPolarHBondContact O-CG 3.26Å; T705-L709 PolarHBondContact O-N 3.49Å
706	T	95.5	Very high	95.1	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-42	177.8	-53.7	0	0	0	0	111.8	M475 I486 L490 L547 H702 L703 A704 L709 L710	M475-T706 HydrophobicContact CE-CG2 4.06Å; I486-T706 HydrophobicContact CG2-CG2 4.14Å; L490-T706 HydrophobicContact CD1-CG2 4.44Å; L547-T706 HydrophobicContact CD2-CG2 4.45Å; H702-T706 PolarHBondContact O-N 3.31Å; H702-T706 PolarHBondContact O-OG1 2.93Å; L703-T706 WeakPolarHBondContact O-CB 3.33Å; L703-T706 PolarHBondContact O-N 2.85Å; L703-T706 VanDerWaalsContact O-N 3.13Å; A704-T706 VanDerWaalsContact C-N 3.32Å; A704-T706 PolarHBondContact O-N 3.3Å; T706-L709 PolarHBondContact O-N 3.49Å; T706-L710 HydrophobicContact CG2-CD1 4.41Å; T706-L710 WeakPolarHBondContact O-CG 3.38Å; T706-L710 PolarHBondContact O-N 3.42Å
707	D	96.4	Very high	95	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-40.9	176	-165	23.6	0	0	0	111.8	R443 T444 L490 L703 A704 L709 L710 S711	R443-D707 PolarHBondContact N-OD1 3.12Å; R443-D707 PolarHBondContact N-OD2 3.11Å; T444-D707 VanDerWaalsContact CB-OD2 3.3Å; T444-D707 WeakPolarHBondContact CB-OD2 3.41Å; T444-D707 WeakPolarHBondContact CG2-OD2 3.46Å; T444-D707 PolarHBondContact N-OD2 3.06Å; T444-D707 PolarHBondContact OG1-OD2 3.11Å; L490-D707 HydrophobicContact CD1-CB 4.12Å; L703-D707 PolarHBondContact O-N 3.37Å; A704-D707 PolarHBondContact O-N 3.23Å; D707-L709 PolarHBondContact O-N 3.43Å; D707-L710 PolarHBondContact O-N 3.46Å; D707-S711 WeakPolarHBondContact O-CB 3.34Å; D707-S711 PolarHBondContact O-N 3.47Å
708	C	97	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-44.2	171.1	-71.5	0	0	0	0	112.5	G447 W454 A704 T705 S711 L712	G447-C708 PolarHBondContact O-SG 3.32Å; G447-C708 VanDerWaalsContact O-SG 3.33Å; W454-C708 HydrophobicContact CE3-CB 4.07Å; W454-C708 HydrophobicContact CH2-CB 3.68Å; W454-C708 HydrophobicContact CZ2-CB 4.16Å; W454-C708 HydrophobicContact CZ3-CB 3.63Å; A704-C708 PolarHBondContact O-N 2.87Å; A704-C708 PolarHBondContact O-SG 2.89Å; T705-C708 PolarHBondContact O-N 3.38Å; C708-S711 WeakPolarHBondContact O-CB 3.47Å; C708-S711 PolarHBondContact O-N 2.84Å; C708-L712 WeakPolarHBondContact O-CG 3.46Å; C708-L712 PolarHBondContact O-N 3.03Å
709	L	96.3	Very high	93.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-39.9	178.5	-68.7	166.2	0	0	0	111.8	W454 R468 A471 V472 M475 L542 L543 L546 T705 T706 D707 S711 L712 A713	W454-L709 HydrophobicContact CH2-CD2 4.23Å; W454-L709 HydrophobicContact CH2-CG 4.17Å; W454-L709 HydrophobicContact CZ3-CD2 4.25Å; R468-L709 HydrophobicContact CB-CD2 4.29Å; R468-L709 HydrophobicContact CG-CD2 4.28Å; A471-L709 HydrophobicContact CB-CD1 4.05Å; A471-L709 HydrophobicContact CB-CD2 4.1Å; V472-L709 HydrophobicContact CG2-CD2 4.03Å; M475-L709 HydrophobicContact CE-CB 4.42Å; M475-L709 HydrophobicContact SD-CB 3.81Å; L542-L709 HydrophobicContact CD2-CD1 3.92Å; L542-L709 HydrophobicContact CG-CD1 4.29Å; L543-L709 HydrophobicContact CD2-CB 4.48Å; L543-L709 HydrophobicContact CD2-CD1 3.62Å; L546-L709 HydrophobicContact CD1-CD1 4.48Å; T705-L709 HydrophobicContact CG2-CD1 4.16Å; T705-L709 VanDerWaalsContact O-CG 3.3Å; T705-L709 WeakPolarHBondContact O-CG 3.26Å; T705-L709 PolarHBondContact O-N 3.49Å; T706-L709 PolarHBondContact O-N 3.49Å; D707-L709 PolarHBondContact O-N 3.43Å; L709-S711 VanDerWaalsContact C-N 3.27Å; L709-S711 PolarHBondContact O-N 2.91Å; L709-L712 PolarHBondContact O-N 2.99Å; L709-A713 WeakPolarHBondContact O-CB 3.17Å; L709-A713 PolarHBondContact O-N 3.32Å
710	L	94.8	Very high	92.8	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-33.3	171.8	-75	169.4	0	0	0	112.7	M475 R487 L490 T706 D707 E714	M475-L710 HydrophobicContact CE-CD1 4.46Å; M475-L710 HydrophobicContact CE-CD2 3.62Å; M475-L710 HydrophobicContact CE-CG 3.6Å; M475-L710 HydrophobicContact CG-CD2 4.24Å; M475-L710 HydrophobicContact SD-CD2 3.73Å; M475-L710 HydrophobicContact SD-CG 3.89Å; R487-L710 HydrophobicContact CB-CD1 4.24Å; R487-L710 PolarHBondContact NH2-O 3.08Å; L490-L710 HydrophobicContact CD1-CD1 3.62Å; T706-L710 HydrophobicContact CG2-CD1 4.41Å; T706-L710 WeakPolarHBondContact O-CG 3.38Å; T706-L710 PolarHBondContact O-N 3.42Å; D707-L710 PolarHBondContact O-N 3.46Å; L710-E714 PolarHBondContact O-N 3.31Å; L710-E714 VanDerWaalsContact O-N 3.09Å
711	S	95.8	Very high	92.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-69.1	-49	175.4	-167	0	0	0	0	111.7	L439 H441 V442 D707 C708 L709 A713 E714 V715	L439-S711 PolarHBondContact O-OG 2.82Å; H441-S711 WeakPolarHBondContact CA-OG 3.45Å; H441-S711 WeakPolarHBondContact CB-OG 3.48Å; H441-S711 PolarHBondContact N-OG 2.89Å; V442-S711 PolarHBondContact N-OG 3.4Å; D707-S711 WeakPolarHBondContact O-CB 3.34Å; D707-S711 PolarHBondContact O-N 3.47Å; C708-S711 WeakPolarHBondContact O-CB 3.47Å; C708-S711 PolarHBondContact O-N 2.84Å; L709-S711 VanDerWaalsContact C-N 3.27Å; L709-S711 PolarHBondContact O-N 2.91Å; S711-A713 VanDerWaalsContact C-N 3.27Å; S711-A713 PolarHBondContact O-N 3.14Å; S711-E714 WeakPolarHBondContact O-CB 3.29Å; S711-E714 PolarHBondContact O-N 3.14Å; S711-E714 VanDerWaalsContact O-N 3.08Å; S711-V715 PolarHBondContact O-N 2.87Å; S711-V715 VanDerWaalsContact O-N 3.08Å
712	L	96.3	Very high	92.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-31.3	176.1	-61.1	-175.4	0	0	0	112.2	L439 L451 W454 V472 C708 L709 V715 A716 M794	L439-L712 HydrophobicContact CD2-CD2 4.31Å; L451-L712 HydrophobicContact CD1-CD2 4.33Å; W454-L712 HydrophobicContact CE3-CD1 4.24Å; W454-L712 HydrophobicContact CZ3-CD1 4.1Å; V472-L712 HydrophobicContact CG2-CB 3.75Å; V472-L712 HydrophobicContact CG2-CD1 4.47Å; C708-L712 WeakPolarHBondContact O-CG 3.46Å; C708-L712 PolarHBondContact O-N 3.03Å; L709-L712 PolarHBondContact O-N 2.99Å; L712-V715 PolarHBondContact O-N 2.84Å; L712-A716 WeakPolarHBondContact O-CB 3.33Å; L712-A716 PolarHBondContact O-N 2.94Å; L712-M794 HydrophobicContact CD2-CE 4.5Å
713	A	94.8	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-30.8	171.8	0	0	0	0	0	113.2	V472 M475 L709 S711 A716 K717	V472-A713 HydrophobicContact CG1-CB 4.39Å; M475-A713 HydrophobicContact CB-CB 3.59Å; L709-A713 WeakPolarHBondContact O-CB 3.17Å; L709-A713 PolarHBondContact O-N 3.32Å; S711-A713 VanDerWaalsContact C-N 3.27Å; S711-A713 PolarHBondContact O-N 3.14Å; A713-A716 PolarHBondContact O-N 2.87Å; A713-K717 WeakPolarHBondContact O-CG 3.39Å; A713-K717 PolarHBondContact O-N 3Å; A713-K717 VanDerWaalsContact O-N 3.14Å
714	E	93.4	Very high	92.8	Very high	55 Å²	55	26.2 Å²	26.2	26%	0.257	14%	0.141	S	C	.	.	H	α-helix	trans	-70.7	-38.2	172.8	-155.9	72.9	170.2	0	0	111.5	H441 R487 L710 S711 K717	H441-E714 HydrophobicContact CB-CB 4.12Å; H441-E714 HydrophobicContact CB-CG 4.4Å; R487-E714 IonicContact CZ-OE2 3.91Å; R487-E714 IonicContact NH1-OE1 3.48Å; R487-E714 IonicContact NH1-OE2 2.87Å; R487-E714 PolarHBondContact NH1-OE2 2.77Å; R487-E714 IonicContact NH2-OE2 3.14Å; R487-E714 PolarHBondContact NH2-OE2 2.93Å; L710-E714 PolarHBondContact O-N 3.31Å; L710-E714 VanDerWaalsContact O-N 3.09Å; S711-E714 WeakPolarHBondContact O-CB 3.29Å; S711-E714 PolarHBondContact O-N 3.14Å; S711-E714 VanDerWaalsContact O-N 3.08Å; E714-K717 PolarHBondContact O-N 3.45Å
715	V	93.7	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-44.2	170.2	179.7	0	0	0	0	110.8	L439 S711 L712 K717 Q718 Y721	L439-V715 HydrophobicContact CD2-CB 4.5Å; L439-V715 HydrophobicContact CD2-CG1 4.03Å; L439-V715 HydrophobicContact CD2-CG2 4Å; S711-V715 PolarHBondContact O-N 2.87Å; S711-V715 VanDerWaalsContact O-N 3.08Å; L712-V715 PolarHBondContact O-N 2.84Å; V715-K717 PolarHBondContact O-N 3.08Å; V715-Q718 VanDerWaalsContact O-CB 3.26Å; V715-Q718 WeakPolarHBondContact O-CB 3.34Å; V715-Q718 WeakPolarHBondContact O-CG 3.4Å; V715-Q718 PolarHBondContact O-N 3.34Å; V715-Y721 HydrophobicContact CG1-CD1 4.1Å; V715-Y721 HydrophobicContact CG1-CE1 3.47Å; V715-Y721 VanDerWaalsContact CG1-CE1 3.47Å
716	A	93.5	Very high	92.5	Very high	6 Å²	6	33.2 Å²	33.2	5%	0.05	17%	0.171	C	C	.	.	H	α-helix	trans	-63.4	-23.9	178.3	0	0	0	0	0	113.9	V472 M476 L712 A713 Q718 Y797	V472-A716 HydrophobicContact CG1-CB 4.03Å; M476-A716 HydrophobicContact SD-CB 4.04Å; L712-A716 WeakPolarHBondContact O-CB 3.33Å; L712-A716 PolarHBondContact O-N 2.94Å; A713-A716 PolarHBondContact O-N 2.87Å; A716-Q718 VanDerWaalsContact C-N 3.29Å; A716-Y797 HydrophobicContact CB-CD1 3.74Å; A716-Y797 HydrophobicContact CB-CD2 4.06Å; A716-Y797 HydrophobicContact CB-CE1 4.28Å; A716-Y797 HydrophobicContact CB-CG 3.61Å
717	K	90.8	Very high	92	Very high	104 Å²	104	34.6 Å²	34.6	45%	0.452	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.7	173.8	-73.5	178.5	-173.3	-164.6	0	113.6	M475 M476 A713 E714 V715	M475-K717 PolarHBondContact O-NZ 2.81Å; M475-K717 VanDerWaalsContact O-NZ 3.17Å; M476-K717 VanDerWaalsContact CA-CE 3.43Å; M476-K717 HydrophobicContact CG-CG 3.97Å; M476-K717 WeakPolarHBondContact O-CE 3.44Å; M476-K717 PolarHBondContact O-NZ 3.33Å; A713-K717 WeakPolarHBondContact O-CG 3.39Å; A713-K717 PolarHBondContact O-N 3Å; A713-K717 VanDerWaalsContact O-N 3.14Å; E714-K717 PolarHBondContact O-N 3.45Å; V715-K717 PolarHBondContact O-N 3.08Å
718	Q	81.8	Confident	91	Very high	45 Å²	45	40.1 Å²	40.1	21%	0.21	21%	0.206	C	C	.	.	S	Bend	trans	-73	144.5	174.2	-58.5	173	15.6	0	0	110.3	H441 V715 A716 Y721	H441-Q718 PolarHBondContact NE2-NE2 3.14Å; H441-Q718 VanDerWaalsContact NE2-NE2 3.14Å; V715-Q718 VanDerWaalsContact O-CB 3.26Å; V715-Q718 WeakPolarHBondContact O-CB 3.34Å; V715-Q718 WeakPolarHBondContact O-CG 3.4Å; V715-Q718 PolarHBondContact O-N 3.34Å; A716-Q718 VanDerWaalsContact C-N 3.29Å; Q718-Y721 HydrophobicContact CB-CD2 4.03Å; Q718-Y721 HydrophobicContact CB-CE2 3.96Å; Q718-Y721 WeakPolarHBondContact O-CD2 3.44Å
719	G	70.4	Confident	89.8	Confident	53 Å²	53	46.7 Å²	46.7	55%	0.546	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	143.4	-172.2	0	0	0	0	0	114	Y721 R739	G719-Y721 VanDerWaalsContact C-N 3.32Å; G719-Y721 PolarHBondContact O-N 3.45Å; G719-R739 PolarHBondContact O-NH2 3.49Å
720	N	84.1	Confident	88.9	Confident	129 Å²	129	51.3 Å²	51.3	69%	0.69	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	32.4	176.8	-49.6	-50.4	0	0	0	114.7	R739 A800	N720-R739 VanDerWaalsContact C-NH2 3.34Å; N720-R739 PolarHBondContact O-NH2 3.32Å; N720-A800 PolarHBondContact O-N 3.04Å
721	Y	93.9	Very high	88.5	Confident	25 Å²	25	51.7 Å²	51.7	10%	0.098	27%	0.268	C	S	.	.			trans	-96.5	144.3	165.4	-83	-112.7	0	0	0	111	V715 Q718 G719 M791 V798 P799	V715-Y721 HydrophobicContact CG1-CD1 4.1Å; V715-Y721 HydrophobicContact CG1-CE1 3.47Å; V715-Y721 VanDerWaalsContact CG1-CE1 3.47Å; Q718-Y721 HydrophobicContact CB-CD2 4.03Å; Q718-Y721 HydrophobicContact CB-CE2 3.96Å; Q718-Y721 WeakPolarHBondContact O-CD2 3.44Å; G719-Y721 VanDerWaalsContact C-N 3.32Å; G719-Y721 PolarHBondContact O-N 3.45Å; Y721-M791 HydrophobicContact CE1-CE 3.89Å; Y721-V798 CarbonylContact C-O 3.49Å; Y721-V798 VanDerWaalsContact CA-O 3.3Å; Y721-V798 WeakPolarHBondContact CA-O 3.38Å; Y721-P799 HydrophobicContact CD1-CB 4.43Å; Y721-P799 HydrophobicContact CD2-CB 4.35Å; Y721-P799 HydrophobicContact CE1-CB 4.03Å; Y721-P799 HydrophobicContact CE1-CG 4.28Å; Y721-P799 HydrophobicContact CE2-CB 3.91Å
722	C	95.2	Very high	88.3	Confident	17 Å²	17	52.8 Å²	52.8	12%	0.115	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-126.7	153.7	177.5	79.4	0	0	0	0	112.6	P724 Y797 V798 A800 R801	C722-P724 WeakPolarHBondContact O-CD 3.33Å; C722-Y797 VanDerWaalsContact C-CD1 3.49Å; C722-Y797 WeakPolarHBondContact O-CA 3.3Å; C722-Y797 WeakPolarHBondContact O-CB 3.43Å; C722-V798 PolarHBondContact N-O 2.58Å; C722-V798 PolarHBondContact O-N 3.35Å; C722-A800 VanDerWaalsContact CB-O 3.31Å; C722-A800 WeakPolarHBondContact CB-O 3.47Å; C722-A800 PolarHBondContact N-O 2.79Å; C722-A800 PolarHBondContact SG-O 3.28Å; C722-A800 VanDerWaalsContact SG-O 3.42Å; C722-R801 WeakPolarHBondContact CB-O 3.4Å
723	R	96.3	Very high	88.3	Confident	76 Å²	76	52.8 Å²	52.8	29%	0.287	27%	0.273	S	S	.	.			trans	-71.6	116.7	168.7	-173.4	178.2	170.6	165.5	5.6	109.9	D470 K725 Y797	D470-R723 IonicContact OD1-CZ 3.9Å; D470-R723 IonicContact OD1-NH1 3.43Å; D470-R723 PolarHBondContact OD1-NH1 3.49Å; D470-R723 IonicContact OD1-NH2 3.13Å; D470-R723 PolarHBondContact OD1-NH2 3.31Å; R723-K725 PolarHBondContact O-N 2.94Å; R723-Y797 HydrophobicContact CB-CD1 4.44Å; R723-Y797 HydrophobicContact CB-CD2 4.28Å; R723-Y797 HydrophobicContact CB-CE1 3.98Å; R723-Y797 HydrophobicContact CB-CE2 3.8Å; R723-Y797 HydrophobicContact CG-CD2 4.5Å; R723-Y797 HydrophobicContact CG-CE2 3.95Å
724	P	96.1	Very high	88.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.			trans	-76	126.1	179.7	28.5	-30.9	0	0	0	111	Q469 C722 V726 A792 S796 V798 A803 L805	Q469-P724 PolarHBondContact NE2-O 3.1Å; Q469-P724 PolarHBondContact OE1-O 3.49Å; C722-P724 WeakPolarHBondContact O-CD 3.33Å; P724-V726 PolarHBondContact O-N 3.49Å; P724-V726 VanDerWaalsContact O-N 3.14Å; P724-A792 HydrophobicContact CB-CB 3.78Å; P724-A792 HydrophobicContact CG-CB 3.59Å; P724-S796 WeakPolarHBondContact CD-O 3.44Å; P724-S796 WeakPolarHBondContact CG-O 3.46Å; P724-V798 HydrophobicContact CB-CG1 4.44Å; P724-V798 HydrophobicContact CB-CG2 4.03Å; P724-V798 HydrophobicContact CG-CG1 4.11Å; P724-V798 HydrophobicContact CG-CG2 4.3Å; P724-A803 HydrophobicContact CB-CB 3.97Å; P724-L805 HydrophobicContact CB-CD1 4.19Å
725	K	95	Very high	88.5	Confident	137 Å²	137	53.2 Å²	53.2	60%	0.596	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	101.6	175.6	-66.5	174.8	-175.5	165.7	0	109.3	R723 A803 C804 L805	R723-K725 PolarHBondContact O-N 2.94Å; K725-A803 PolarHBondContact N-O 3.28Å; K725-C804 HydrophobicContact CB-CB 4.3Å; K725-C804 CarbonylContact O-C 3.59Å; K725-C804 WeakPolarHBondContact O-CA 3.33Å; K725-L805 PolarHBondContact O-N 2.98Å
726	V	91.1	Very high	88.7	Confident	36 Å²	36	55.5 Å²	55.5	22%	0.218	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.5	178.7	177.2	0	0	0	0	109.8	I465 P724 L805 V807	I465-V726 HydrophobicContact CD1-CG1 4.36Å; I465-V726 HydrophobicContact CG2-CB 4.42Å; I465-V726 HydrophobicContact CG2-CG2 3.98Å; P724-V726 PolarHBondContact O-N 3.49Å; P724-V726 VanDerWaalsContact O-N 3.14Å; V726-L805 CarbonylContact C-O 3.53Å; V726-L805 VanDerWaalsContact CA-O 3.28Å; V726-L805 WeakPolarHBondContact CA-O 3.41Å; V726-V807 HydrophobicContact CG1-CG2 3.62Å
727	C	85	Confident	88.7	Confident	30 Å²	30	57.2 Å²	57.2	20%	0.203	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.8	-176.5	-67	0	0	0	0	111.7	N730 L805 G806 V807	C727-N730 HydrophobicContact CB-CB 3.99Å; C727-L805 PolarHBondContact N-O 2.93Å; C727-G806 WeakPolarHBondContact O-CA 3.45Å; C727-V807 PolarHBondContact O-N 2.88Å
728	E	75.8	Confident	88.8	Confident	118 Å²	118	52.3 Å²	52.3	55%	0.551	28%	0.276	S	S	*	.	S	Bend	trans	-81.2	-52.6	176	-176.2	171.7	-155.8	0	0	111.8	P462	P462-E728 HydrophobicContact CG-CB 3.97Å; P462-E728 HydrophobicContact CG-CG 4.04Å
729	N	71.9	Confident	89.4	Confident	138 Å²	138	51.4 Å²	51.4	74%	0.738	27%	0.271	S	S	*	.	S	Bend	trans	-80.4	-28	-175.5	-65.1	-40.8	0	0	0	113.8
730	N	77.1	Confident	90.4	Very high	97 Å²	97	49.4 Å²	49.4	52%	0.519	25%	0.248	S	C	.	.			trans	-101.7	93.6	-173.3	-67.1	5.3	0	0	0	110.6	C727 Q732	C727-N730 HydrophobicContact CB-CB 3.99Å; N730-Q732 PolarHBondContact O-N 3.35Å; N730-Q732 VanDerWaalsContact O-N 3.11Å
731	H	85.6	Confident	90.8	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.083	22%	0.215	C	C	.	.			trans	-71.8	102.9	172.2	-63.3	-52	0	0	0	110.5	R762 R845 F880	H731-R762 HydrophobicContact CB-CB 4.19Å; H731-R762 WeakPolarHBondContact O-CB 3.47Å; H731-R762 PolarHBondContact O-N 3.39Å; H731-R762 VanDerWaalsContact O-N 3.09Å; H731-R845 VanDerWaalsContact CE1-CZ 3.49Å; H731-R845 PolarHBondContact CE1-NE 2.86Å; H731-R845 PolarHBondContact CE1-NH2 3.26Å; H731-R845 VanDerWaalsContact CE1-NH2 3.29Å; H731-R845 PolarHBondContact NE2-NE 2.87Å; H731-R845 PolarHBondContact NE2-NH2 2.77Å; H731-F880 HydrophobicContact CB-CZ 4.38Å
732	Q	93.1	Very high	90.6	Very high	24 Å²	24	42.5 Å²	42.5	11%	0.112	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.5	176	62.5	-176.4	-3.5	0	0	111.5	N730 M734 L760 Q761 C804 L805 G806	N730-Q732 PolarHBondContact O-N 3.35Å; N730-Q732 VanDerWaalsContact O-N 3.11Å; Q732-M734 HydrophobicContact CB-CG 4.46Å; Q732-M734 HydrophobicContact CG-CG 4.3Å; Q732-L760 CarbonylContact C-O 3.56Å; Q732-L760 VanDerWaalsContact CA-O 3.27Å; Q732-L760 WeakPolarHBondContact CA-O 3.38Å; Q732-L760 WeakPolarHBondContact CB-O 3.36Å; Q732-Q761 HydrophobicContact CB-CB 4.46Å; Q732-Q761 HydrophobicContact CB-CG 3.75Å; Q732-Q761 VanDerWaalsContact OE1-NE2 3.14Å; Q732-C804 PolarHBondContact NE2-SG 3.18Å; Q732-L805 CarbonylContact O-C 3.48Å; Q732-L805 WeakPolarHBondContact O-CA 3.14Å; Q732-G806 PolarHBondContact O-N 2.91Å
733	I	96	Very high	90.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	103.1	166.6	-62.2	173.7	0	0	0	106.8	I735 T758 T759 L760 V785 L805 L808 L847 F880	I733-I735 HydrophobicContact CG2-CD1 4.02Å; I733-I735 HydrophobicContact CG2-CG1 4.21Å; I733-T758 HydrophobicContact CG2-CG2 4.25Å; I733-T759 CarbonylContact O-C 3.54Å; I733-T759 WeakPolarHBondContact O-CA 3.41Å; I733-L760 HydrophobicContact CB-CB 4.27Å; I733-L760 HydrophobicContact CD1-CD1 4.37Å; I733-L760 PolarHBondContact N-O 2.83Å; I733-L760 PolarHBondContact O-N 2.89Å; I733-V785 HydrophobicContact CG2-CG1 4.27Å; I733-L805 HydrophobicContact CB-CD2 4.19Å; I733-L805 HydrophobicContact CG1-CD2 4.26Å; I733-L805 HydrophobicContact CG2-CD2 3.77Å; I733-L808 HydrophobicContact CD1-CD1 4.39Å; I733-L808 HydrophobicContact CD1-CD2 4.28Å; I733-L847 HydrophobicContact CD1-CD1 4.17Å; I733-L847 HydrophobicContact CD1-CD2 4.35Å; I733-F880 HydrophobicContact CD1-CB 4.29Å; I733-F880 HydrophobicContact CD1-CD2 3.79Å; I733-F880 HydrophobicContact CD1-CE2 4.41Å; I733-F880 HydrophobicContact CD1-CG 4.12Å; I733-F880 HydrophobicContact CG1-CD2 4.09Å; I733-F880 HydrophobicContact CG1-CE2 4.21Å
734	M	96.1	Very high	89.6	Confident	62 Å²	62	41.7 Å²	41.7	31%	0.305	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.4	173.7	-55.9	-159.2	-51	0	0	109.6	Q732 T758 T759 A803 C804	Q732-M734 HydrophobicContact CB-CG 4.46Å; Q732-M734 HydrophobicContact CG-CG 4.3Å; M734-T758 CarbonylContact C-O 3.49Å; M734-T758 WeakPolarHBondContact CA-O 3.33Å; M734-T759 HydrophobicContact CG-CG2 4.39Å; M734-A803 CarbonylContact O-C 3.54Å; M734-A803 WeakPolarHBondContact O-CA 3.13Å; M734-C804 HydrophobicContact CB-CB 4.33Å; M734-C804 HydrophobicContact CE-CB 3.97Å; M734-C804 PolarHBondContact N-O 2.78Å; M734-C804 PolarHBondContact O-N 3.33Å
735	I	96.9	Very high	89.1	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.9	-180	-53	170.2	0	0	0	107.3	I733 H757 T758 V785 I788 A800 L805	I733-I735 HydrophobicContact CG2-CD1 4.02Å; I733-I735 HydrophobicContact CG2-CG1 4.21Å; I735-H757 CarbonylContact O-C 3.54Å; I735-H757 WeakPolarHBondContact O-CA 3.32Å; I735-T758 PolarHBondContact N-O 3.09Å; I735-T758 PolarHBondContact O-N 3.12Å; I735-V785 HydrophobicContact CD1-CG1 4.36Å; I735-I788 HydrophobicContact CD1-CB 4.12Å; I735-I788 HydrophobicContact CD1-CD1 4.24Å; I735-I788 HydrophobicContact CD1-CG2 3.72Å; I735-I788 HydrophobicContact CG1-CG2 4.14Å; I735-I788 HydrophobicContact CG2-CD1 3.96Å; I735-A800 HydrophobicContact CG2-CB 3.88Å; I735-L805 HydrophobicContact CG1-CD2 4.49Å
736	T	96.2	Very high	88.6	Confident	48 Å²	48	42.5 Å²	42.5	29%	0.294	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.9	173	65.7	0	0	0	0	110.3	G738 R801 E802	T736-G738 PolarHBondContact O-N 3.39Å; T736-G738 VanDerWaalsContact O-N 3.15Å; T736-R801 PolarHBondContact O-N 3.47Å; T736-E802 PolarHBondContact N-O 3.48Å; T736-E802 WeakPolarHBondContact OG1-CB 3.34Å; T736-E802 PolarHBondContact OG1-N 3.43Å; T736-E802 PolarHBondContact OG1-O 2.83Å
737	D	93.4	Very high	88	Confident	43 Å²	43	44.6 Å²	44.6	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.6	38.9	-178.6	-52	-38.1	0	0	0	113.6	P755 H757 R801	D737-P755 HydrophobicContact CB-CB 4.05Å; D737-H757 IonicContact OD1-CE1 2.7Å; D737-H757 PolarHBondContact OD1-CE1 3.19Å; D737-H757 IonicContact OD1-ND1 3.84Å; D737-H757 IonicContact OD1-NE2 3.43Å; D737-R801 HydrophobicContact CB-CB 3.83Å; D737-R801 WeakPolarHBondContact OD2-CD 3.1Å; D737-R801 IonicContact OD2-NH1 3.15Å; D737-R801 PolarHBondContact OD2-NH1 2.94Å
738	G	94.6	Very high	87	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.7	-177.8	0	0	0	0	0	112.5	T736 P755 N756 Q784 P799	T736-G738 PolarHBondContact O-N 3.39Å; T736-G738 VanDerWaalsContact O-N 3.15Å; G738-P755 CarbonylContact O-C 3.56Å; G738-P755 WeakPolarHBondContact O-CA 3.34Å; G738-N756 PolarHBondContact N-O 3.09Å; G738-N756 PolarHBondContact O-N 3.39Å; G738-Q784 PolarHBondContact O-NE2 3.27Å; G738-P799 WeakPolarHBondContact CA-O 3.33Å
739	R	92.7	Very high	85.8	Confident	27 Å²	27	48.9 Å²	48.9	10%	0.102	26%	0.261	C	S	.	.			trans	-130.3	153	-176.4	-58.5	169.7	-63.2	136	7.4	110.6	G719 N720 P741 D744 Y753 P755 P799	G719-R739 PolarHBondContact O-NH2 3.49Å; N720-R739 VanDerWaalsContact C-NH2 3.34Å; N720-R739 PolarHBondContact O-NH2 3.32Å; R739-P741 WeakPolarHBondContact O-CD 3.48Å; R739-D744 WeakPolarHBondContact CD-OD1 3.21Å; R739-D744 IonicContact CZ-OD1 2.98Å; R739-D744 IonicContact CZ-OD2 3.75Å; R739-D744 IonicContact NE-OD1 3.48Å; R739-D744 IonicContact NH1-OD1 3.63Å; R739-D744 PolarHBondContact NH1-OD1 3.2Å; R739-D744 IonicContact NH1-OD2 3.84Å; R739-D744 PolarHBondContact NH1-OD2 2.97Å; R739-D744 IonicContact NH2-OD2 3.47Å; R739-Y753 HydrophobicContact CB-CD1 3.96Å; R739-Y753 HydrophobicContact CB-CE1 4.32Å; R739-Y753 HydrophobicContact CG-CD1 4.23Å; R739-P755 HydrophobicContact CG-CB 3.97Å; R739-P799 HydrophobicContact CB-CB 4.42Å; R739-P799 PolarHBondContact N-O 2.73Å; R739-P799 WeakPolarHBondContact O-CG 3.12Å
740	H	93.1	Very high	84.6	Confident	11 Å²	11	51.3 Å²	51.3	5%	0.051	27%	0.267	C	S	.	.			trans	-79.3	116.7	-179.1	-176	-61.3	0	0	0	110.6	A742 I743 D744 Y753 S780 Q784	H740-A742 PolarHBondContact ND1-N 2.87Å; H740-A742 PolarHBondContact O-N 3.2Å; H740-A742 VanDerWaalsContact O-N 3.16Å; H740-I743 HydrophobicContact CB-CB 4.11Å; H740-I743 HydrophobicContact CB-CD1 3.97Å; H740-I743 HydrophobicContact CB-CG1 4.2Å; H740-I743 PolarHBondContact O-N 3.45Å; H740-D744 WeakPolarHBondContact O-CB 3.37Å; H740-D744 PolarHBondContact O-N 2.94Å; H740-Y753 HydrophobicContact CB-CE1 4.23Å; H740-Y753 HydrophobicContact CB-CE2 4.07Å; H740-S780 PolarHBondContact CD2-O 3.37Å; H740-Q784 HydrophobicContact CB-CB 4.04Å
741	P	92.1	Very high	83.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-52.3	-48.4	-165.5	-24.8	29.3	0	0	0	114.9	L435 V438 R739 L787 M791 P799	L435-P741 HydrophobicContact CD1-CB 4.2Å; L435-P741 HydrophobicContact CD1-CG 4.34Å; V438-P741 HydrophobicContact CG1-CB 3.95Å; V438-P741 HydrophobicContact CG2-CB 4.39Å; R739-P741 WeakPolarHBondContact O-CD 3.48Å; P741-L787 HydrophobicContact CG-CB 4.11Å; P741-M791 HydrophobicContact CB-SD 3.9Å; P741-M791 HydrophobicContact CG-SD 3.46Å; P741-M791 WeakPolarHBondContact CG-SD 3.49Å; P741-P799 HydrophobicContact CB-CG 4.26Å; P741-P799 HydrophobicContact CG-CG 3.86Å
742	A	89.9	Confident	82.5	Confident	7 Å²	7	55.2 Å²	55.2	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-73.5	-30.7	-179.9	0	0	0	0	0	114.5	G433 V438 H740 L746	G433-A742 WeakPolarHBondContact O-CB 3.42Å; V438-A742 HydrophobicContact CG2-CB 3.78Å; H740-A742 PolarHBondContact ND1-N 2.87Å; H740-A742 PolarHBondContact O-N 3.2Å; H740-A742 VanDerWaalsContact O-N 3.16Å; A742-L746 WeakPolarHBondContact O-CB 3.48Å; A742-L746 WeakPolarHBondContact O-CD1 3.44Å; A742-L746 WeakPolarHBondContact O-CG 3.43Å; A742-L746 PolarHBondContact O-N 3.25Å; A742-L746 VanDerWaalsContact O-N 3.11Å
743	I	86.9	Confident	81.8	Confident	43 Å²	43	55.5 Å²	55.5	22%	0.221	29%	0.289	C	S	.	.	H	α-helix	trans	-78.9	-35.9	-176.7	-59.4	173	0	0	0	109.8	H740 L745 L746 M747 Y753	H740-I743 HydrophobicContact CB-CB 4.11Å; H740-I743 HydrophobicContact CB-CD1 3.97Å; H740-I743 HydrophobicContact CB-CG1 4.2Å; H740-I743 PolarHBondContact O-N 3.45Å; I743-L745 VanDerWaalsContact C-N 3.3Å; I743-L745 PolarHBondContact O-N 2.91Å; I743-L746 PolarHBondContact O-N 2.91Å; I743-L746 VanDerWaalsContact O-N 3.12Å; I743-M747 HydrophobicContact CG2-CG 3.83Å; I743-M747 HydrophobicContact CG2-SD 3.49Å; I743-M747 WeakPolarHBondContact CG2-SD 3.31Å; I743-M747 WeakPolarHBondContact O-CG 3.47Å; I743-M747 PolarHBondContact O-N 3.04Å; I743-Y753 HydrophobicContact CB-CD2 4.14Å; I743-Y753 HydrophobicContact CB-CE2 4.37Å; I743-Y753 HydrophobicContact CD1-CE2 4.18Å; I743-Y753 HydrophobicContact CG2-CD2 3.54Å; I743-Y753 HydrophobicContact CG2-CE2 4.07Å; I743-Y753 HydrophobicContact CG2-CG 4.4Å
744	D	83.4	Confident	81.4	Confident	33 Å²	33	57.7 Å²	57.7	18%	0.176	30%	0.303	C	S	.	.	H	α-helix	trans	-54.3	-44.8	173.4	-160.7	69.1	0	0	0	111.7	R739 H740	R739-D744 WeakPolarHBondContact CD-OD1 3.21Å; R739-D744 IonicContact CZ-OD1 2.98Å; R739-D744 IonicContact CZ-OD2 3.75Å; R739-D744 IonicContact NE-OD1 3.48Å; R739-D744 IonicContact NH1-OD1 3.63Å; R739-D744 PolarHBondContact NH1-OD1 3.2Å; R739-D744 IonicContact NH1-OD2 3.84Å; R739-D744 PolarHBondContact NH1-OD2 2.97Å; R739-D744 IonicContact NH2-OD2 3.47Å; H740-D744 WeakPolarHBondContact O-CB 3.37Å; H740-D744 PolarHBondContact O-N 2.94Å
745	L	84.9	Confident	81.2	Confident	62 Å²	62	56.7 Å²	56.7	33%	0.325	30%	0.301	S	S	.	.	H	α-helix	trans	-73.8	-33.5	173.7	-66.5	-174	0	0	0	114.3	W437 V438 I743	W437-L745 HydrophobicContact CH2-CB 3.92Å; W437-L745 HydrophobicContact CH2-CD1 4.32Å; W437-L745 HydrophobicContact CZ3-CB 4.13Å; W437-L745 HydrophobicContact CZ3-CD1 4.31Å; V438-L745 HydrophobicContact CB-CD1 4.34Å; V438-L745 HydrophobicContact CG1-CD1 3.94Å; V438-L745 HydrophobicContact CG2-CD1 4.26Å; I743-L745 VanDerWaalsContact C-N 3.3Å; I743-L745 PolarHBondContact O-N 2.91Å
746	L	84.4	Confident	81	Confident	92 Å²	92	56.8 Å²	56.8	48%	0.482	30%	0.301	S	S	.	.	H	α-helix	trans	-79.2	-24.1	-176.7	-74.2	170	0	0	0	113.9	W437 A742 I743	W437-L746 HydrophobicContact CH2-CD2 3.88Å; W437-L746 HydrophobicContact CH2-CG 4.08Å; W437-L746 HydrophobicContact CZ3-CD2 4.22Å; W437-L746 HydrophobicContact CZ3-CG 4.05Å; A742-L746 WeakPolarHBondContact O-CB 3.48Å; A742-L746 WeakPolarHBondContact O-CD1 3.44Å; A742-L746 WeakPolarHBondContact O-CG 3.43Å; A742-L746 PolarHBondContact O-N 3.25Å; A742-L746 VanDerWaalsContact O-N 3.11Å; I743-L746 PolarHBondContact O-N 2.91Å; I743-L746 VanDerWaalsContact O-N 3.12Å
747	M	78.2	Confident	81	Confident	81 Å²	81	59.2 Å²	59.2	40%	0.399	31%	0.309	S	S	.	.	H	α-helix	trans	-87.4	-27.7	177.2	-64.1	-178.5	66	0	0	113.3	I743 G751 Y753	I743-M747 HydrophobicContact CG2-CG 3.83Å; I743-M747 HydrophobicContact CG2-SD 3.49Å; I743-M747 WeakPolarHBondContact CG2-SD 3.31Å; I743-M747 WeakPolarHBondContact O-CG 3.47Å; I743-M747 PolarHBondContact O-N 3.04Å; M747-G751 WeakPolarHBondContact CB-O 3.27Å; M747-G751 PolarHBondContact O-N 3.17Å; M747-Y753 HydrophobicContact SD-CD2 4.26Å
748	G	63.8	Low	81.1	Confident	46 Å²	46	57.2 Å²	57.2	47%	0.474	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	59	-153.2	172.6	0	0	0	0	0	114.6	H750	G748-H750 PolarHBondContact O-N 2.73Å
749	E	51.3	Low	81.1	Confident	192 Å²	192	60.9 Å²	60.9	90%	0.897	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-70.6	-11.6	-177.9	-60.3	-173.6	160.2	0	0	114
750	H	46.3	Very low	81.2	Confident	188 Å²	188	59.6 Å²	59.6	87%	0.87	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-100.8	-4.2	-172.2	-58.8	-25.2	0	0	0	114	G748	G748-H750 PolarHBondContact O-N 2.73Å
751	G	57.5	Low	81.2	Confident	24 Å²	24	62 Å²	62	25%	0.247	33%	0.327	C	S	.	.			trans	-154.1	116.7	175	0	0	0	0	0	112.1	M747 Y753	M747-G751 WeakPolarHBondContact CB-O 3.27Å; M747-G751 PolarHBondContact O-N 3.17Å; G751-Y753 PolarHBondContact O-N 3.05Å
752	Q	61.5	Low	80.9	Confident	174 Å²	174	66.4 Å²	66.4	81%	0.813	34%	0.344	S	S	*	.			trans	-80.6	113.9	177.7	-170.8	173.3	11	0	0	110.8	V754	Q752-V754 PolarHBondContact O-N 2.93Å
753	Y	79.2	Confident	80.5	Confident	29 Å²	29	73.4 Å²	73.4	11%	0.114	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-63.8	126.7	167.3	-179.3	-89.3	0	0	0	109.6	R739 H740 I743 M747 G751 P755 Q784	R739-Y753 HydrophobicContact CB-CD1 3.96Å; R739-Y753 HydrophobicContact CB-CE1 4.32Å; R739-Y753 HydrophobicContact CG-CD1 4.23Å; H740-Y753 HydrophobicContact CB-CE1 4.23Å; H740-Y753 HydrophobicContact CB-CE2 4.07Å; I743-Y753 HydrophobicContact CB-CD2 4.14Å; I743-Y753 HydrophobicContact CB-CE2 4.37Å; I743-Y753 HydrophobicContact CD1-CE2 4.18Å; I743-Y753 HydrophobicContact CG2-CD2 3.54Å; I743-Y753 HydrophobicContact CG2-CE2 4.07Å; I743-Y753 HydrophobicContact CG2-CG 4.4Å; M747-Y753 HydrophobicContact SD-CD2 4.26Å; G751-Y753 PolarHBondContact O-N 3.05Å; Y753-P755 WeakPolarHBondContact O-CD 3.5Å; Y753-Q784 VanDerWaalsContact CE1-OE1 3.24Å; Y753-Q784 PolarHBondContact OH-OE1 3.48Å
754	V	87.3	Confident	80.5	Confident	47 Å²	47	73.5 Å²	73.5	29%	0.285	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-71.1	117.7	-175.1	179	0	0	0	0	110.1	Q752 N756 Q932	Q752-V754 PolarHBondContact O-N 2.93Å; V754-N756 PolarHBondContact O-ND2 3.35Å; V754-Q932 HydrophobicContact CG1-CB 4.15Å
755	P	91	Very high	80.9	Confident	41 Å²	41	74.1 Å²	74.1	27%	0.266	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-71	147.8	-178.8	30.9	-35.5	0	0	0	110.9	D737 G738 R739 Y753	D737-P755 HydrophobicContact CB-CB 4.05Å; G738-P755 CarbonylContact O-C 3.56Å; G738-P755 WeakPolarHBondContact O-CA 3.34Å; R739-P755 HydrophobicContact CG-CB 3.97Å; Y753-P755 WeakPolarHBondContact O-CD 3.5Å
756	N	93.6	Very high	81.4	Confident	3 Å²	3	72 Å²	72	2%	0.016	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142	-172	-85.3	-82.5	0	0	0	111.8	G738 V754 Y781 Y931 L933	G738-N756 PolarHBondContact N-O 3.09Å; G738-N756 PolarHBondContact O-N 3.39Å; V754-N756 PolarHBondContact O-ND2 3.35Å; N756-Y781 HydrophobicContact CB-CD2 3.8Å; N756-Y781 HydrophobicContact CB-CE2 4.01Å; N756-Y931 PolarHBondContact ND2-O 2.92Å; N756-L933 WeakPolarHBondContact OD1-CB 3.37Å; N756-L933 PolarHBondContact OD1-N 3.4Å
757	H	95	Very high	82	Confident	100 Å²	100	67.6 Å²	67.6	46%	0.463	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146	177.5	-43.9	-83.4	0	0	0	111.3	I735 D737	I735-H757 CarbonylContact O-C 3.54Å; I735-H757 WeakPolarHBondContact O-CA 3.32Å; D737-H757 IonicContact OD1-CE1 2.7Å; D737-H757 PolarHBondContact OD1-CE1 3.19Å; D737-H757 IonicContact OD1-ND1 3.84Å; D737-H757 IonicContact OD1-NE2 3.43Å
758	T	96.4	Very high	82.9	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.4	173.8	-52.9	0	0	0	0	109.7	I733 M734 I735 L760 M768 Y781 V785	I733-T758 HydrophobicContact CG2-CG2 4.25Å; M734-T758 CarbonylContact C-O 3.49Å; M734-T758 WeakPolarHBondContact CA-O 3.33Å; I735-T758 PolarHBondContact N-O 3.09Å; I735-T758 PolarHBondContact O-N 3.12Å; T758-L760 HydrophobicContact CG2-CG 4.46Å; T758-M768 HydrophobicContact CG2-CE 4.42Å; T758-Y781 WeakPolarHBondContact CG2-OH 3.44Å; T758-Y781 WeakPolarHBondContact OG1-CE2 3.34Å; T758-Y781 PolarHBondContact OG1-OH 2.69Å; T758-V785 HydrophobicContact CG2-CG1 4.12Å; T758-V785 HydrophobicContact CG2-CG2 3.96Å; T758-V785 WeakPolarHBondContact OG1-CG2 3.49Å
759	T	95.4	Very high	84.4	Confident	76 Å²	76	61.7 Å²	61.7	47%	0.466	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	111.3	174.8	-49	0	0	0	0	109.9	I733 M734	I733-T759 CarbonylContact O-C 3.54Å; I733-T759 WeakPolarHBondContact O-CA 3.41Å; M734-T759 HydrophobicContact CG-CG2 4.39Å
760	L	94.8	Very high	86.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.9	169.8	-54.9	173.1	0	0	0	108.8	Q732 I733 T758 K765 M768 F880 L882	Q732-L760 CarbonylContact C-O 3.56Å; Q732-L760 VanDerWaalsContact CA-O 3.27Å; Q732-L760 WeakPolarHBondContact CA-O 3.38Å; Q732-L760 WeakPolarHBondContact CB-O 3.36Å; I733-L760 HydrophobicContact CB-CB 4.27Å; I733-L760 HydrophobicContact CD1-CD1 4.37Å; I733-L760 PolarHBondContact N-O 2.83Å; I733-L760 PolarHBondContact O-N 2.89Å; T758-L760 HydrophobicContact CG2-CG 4.46Å; L760-K765 CarbonylContact C-O 3.57Å; L760-K765 VanDerWaalsContact CA-O 3.27Å; L760-K765 WeakPolarHBondContact CA-O 3.35Å; L760-M768 HydrophobicContact CD2-CB 4.21Å; L760-M768 HydrophobicContact CD2-CE 4.3Å; L760-F880 HydrophobicContact CB-CD1 3.63Å; L760-F880 HydrophobicContact CB-CE1 3.91Å; L760-F880 HydrophobicContact CB-CG 4.37Å; L760-F880 HydrophobicContact CD1-CB 4.09Å; L760-F880 HydrophobicContact CD1-CD1 4.31Å; L760-F880 HydrophobicContact CD1-CG 4.39Å; L760-L882 HydrophobicContact CD1-CD2 4.05Å
761	Q	92.2	Very high	88.6	Confident	62 Å²	62	44.1 Å²	44.1	29%	0.29	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	135.1	-174.1	-78.8	177.4	-27.6	0	0	110.4	Q732 D763 S764 K765 R766	Q732-Q761 HydrophobicContact CB-CB 4.46Å; Q732-Q761 HydrophobicContact CB-CG 3.75Å; Q732-Q761 VanDerWaalsContact OE1-NE2 3.14Å; Q761-D763 VanDerWaalsContact C-N 3.31Å; Q761-D763 PolarHBondContact O-N 3.08Å; Q761-S764 CarbonylContact O-C 3.35Å; Q761-S764 PolarHBondContact O-N 3.14Å; Q761-S764 VanDerWaalsContact O-N 3.13Å; Q761-K765 PolarHBondContact N-O 2.84Å; Q761-K765 CarbonylContact O-C 2.99Å; Q761-R766 VanDerWaalsContact O-CG 3.27Å; Q761-R766 WeakPolarHBondContact O-CG 3.46Å
762	R	85.1	Confident	89.7	Confident	94 Å²	94	43 Å²	43	36%	0.355	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-47.7	-176.5	-169.4	-174.1	-167.1	-177.5	3.4	112.9	H731 S764 R766 E844	H731-R762 HydrophobicContact CB-CB 4.19Å; H731-R762 WeakPolarHBondContact O-CB 3.47Å; H731-R762 PolarHBondContact O-N 3.39Å; H731-R762 VanDerWaalsContact O-N 3.09Å; R762-S764 VanDerWaalsContact C-N 3.26Å; R762-S764 PolarHBondContact O-N 3.15Å; R762-R766 WeakPolarHBondContact O-CD 3.39Å; R762-R766 PolarHBondContact O-NH1 3.22Å; R762-E844 IonicContact CZ-OE1 3.9Å; R762-E844 IonicContact CZ-OE2 2.78Å; R762-E844 IonicContact NE-OE2 3.33Å; R762-E844 IonicContact NH2-OE1 2.76Å; R762-E844 PolarHBondContact NH2-OE1 2.86Å; R762-E844 IonicContact NH2-OE2 2.75Å; R762-E844 PolarHBondContact NH2-OE2 2.88Å
763	D	81.9	Confident	90.5	Very high	153 Å²	153	35 Å²	35	82%	0.818	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	6.5	-173.4	-49	-48.3	0	0	0	113.4	Q761	Q761-D763 VanDerWaalsContact C-N 3.31Å; Q761-D763 PolarHBondContact O-N 3.08Å
764	S	87.9	Confident	90.4	Very high	46 Å²	46	37.8 Å²	37.8	32%	0.322	20%	0.197	S	C	.	.	S	Bend	trans	-143.6	-138.2	-174.7	-179.3	0	0	0	0	108.6	Q761 R762 R766 Q899 H900	Q761-S764 CarbonylContact O-C 3.35Å; Q761-S764 PolarHBondContact O-N 3.14Å; Q761-S764 VanDerWaalsContact O-N 3.13Å; R762-S764 VanDerWaalsContact C-N 3.26Å; R762-S764 PolarHBondContact O-N 3.15Å; S764-R766 PolarHBondContact O-N 2.97Å; S764-Q899 CarbonylContact C-O 3.5Å; S764-H900 PolarHBondContact O-ND1 2.93Å; S764-H900 VanDerWaalsContact O-ND1 3.14Å
765	K	91.9	Very high	89.7	Confident	45 Å²	45	41.6 Å²	41.6	20%	0.196	21%	0.214	C	C	.	.			trans	-66.6	111	177.7	-58.2	-68	-172.4	166.9	0	110.1	L760 Q761 E894 P898 Q899 H900 V901	L760-K765 CarbonylContact C-O 3.57Å; L760-K765 VanDerWaalsContact CA-O 3.27Å; L760-K765 WeakPolarHBondContact CA-O 3.35Å; Q761-K765 PolarHBondContact N-O 2.84Å; Q761-K765 CarbonylContact O-C 2.99Å; K765-E894 IonicContact NZ-OE1 2.84Å; K765-E894 PolarHBondContact NZ-OE1 2.76Å; K765-P898 WeakPolarHBondContact CE-O 3.37Å; K765-P898 PolarHBondContact NZ-O 2.77Å; K765-Q899 PolarHBondContact N-O 3.11Å; K765-H900 CarbonylContact C-O 3.59Å; K765-H900 WeakPolarHBondContact CA-O 3.32Å; K765-V901 WeakPolarHBondContact CD-O 3.39Å; K765-V901 PolarHBondContact NZ-O 3.06Å
766	R	95.1	Very high	88.6	Confident	18 Å²	18	39.7 Å²	39.7	7%	0.068	20%	0.202	C	C	.	.			trans	-101	-19.5	172.5	-63.9	-171.5	-59.1	-78.7	-3.4	113	Q761 R762 S764 I874 K878 F880 T881 H900	Q761-R766 VanDerWaalsContact O-CG 3.27Å; Q761-R766 WeakPolarHBondContact O-CG 3.46Å; R762-R766 WeakPolarHBondContact O-CD 3.39Å; R762-R766 PolarHBondContact O-NH1 3.22Å; S764-R766 PolarHBondContact O-N 2.97Å; R766-I874 PolarHBondContact NH2-O 3.16Å; R766-I874 VanDerWaalsContact NH2-O 3.14Å; R766-K878 VanDerWaalsContact CD-O 3.22Å; R766-K878 WeakPolarHBondContact CD-O 3.42Å; R766-K878 PolarHBondContact NE-O 2.96Å; R766-F880 HydrophobicContact CB-CD1 4.31Å; R766-F880 HydrophobicContact CG-CD1 4.46Å; R766-F880 HydrophobicContact CG-CE1 4.32Å; R766-F880 WeakPolarHBondContact O-CA 3.37Å; R766-T881 PolarHBondContact O-N 2.88Å; R766-H900 PolarHBondContact N-O 2.93Å; R766-H900 PolarHBondContact NH1-CE1 2.99Å; R766-H900 PolarHBondContact NH1-ND1 3.43Å; R766-H900 VanDerWaalsContact NH1-ND1 3.17Å; R766-H900 PolarHBondContact NH2-CD2 2.92Å
767	T	96.5	Very high	88.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.8	-170.1	-49.9	0	0	0	0	110.8	L870 I874 T881 H900 V901 S902	T767-L870 HydrophobicContact CG2-CD1 3.65Å; T767-I874 HydrophobicContact CG2-CD1 4.38Å; T767-I874 HydrophobicContact CG2-CG1 3.94Å; T767-T881 CarbonylContact C-O 3.51Å; T767-T881 WeakPolarHBondContact CA-O 3.33Å; T767-T881 HydrophobicContact CG2-CG2 4.23Å; T767-H900 PolarHBondContact N-O 2.85Å; T767-V901 HydrophobicContact CG2-CG2 4.38Å; T767-V901 CarbonylContact O-C 3.55Å; T767-V901 WeakPolarHBondContact O-CA 3.46Å; T767-S902 PolarHBondContact O-N 2.83Å
768	M	96.9	Very high	87.7	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114	176.9	-169.7	179	-74.7	0	0	109.2	T758 L760 I770 Y781 T881 L882 F883 F904 L933	T758-M768 HydrophobicContact CG2-CE 4.42Å; L760-M768 HydrophobicContact CD2-CB 4.21Å; L760-M768 HydrophobicContact CD2-CE 4.3Å; M768-I770 HydrophobicContact CG-CD1 4.22Å; M768-I770 HydrophobicContact CG-CG1 3.79Å; M768-I770 HydrophobicContact SD-CD1 3.97Å; M768-I770 HydrophobicContact SD-CG1 4.09Å; M768-Y781 HydrophobicContact SD-CE1 3.88Å; M768-Y781 PolarHBondContact SD-OH 2.58Å; M768-Y781 VanDerWaalsContact SD-OH 3.42Å; M768-T881 PolarHBondContact N-O 2.75Å; M768-L882 HydrophobicContact CB-CD2 3.74Å; M768-L882 HydrophobicContact CG-CD2 4.39Å; M768-L882 HydrophobicContact SD-CD2 4Å; M768-F883 PolarHBondContact O-N 3.02Å; M768-F904 HydrophobicContact CE-CD2 4.26Å; M768-F904 HydrophobicContact CE-CE2 3.92Å; M768-F904 HydrophobicContact CE-CZ 4.15Å; M768-F904 HydrophobicContact CG-CB 4.48Å; M768-F904 HydrophobicContact CG-CD2 3.49Å; M768-F904 VanDerWaalsContact CG-CD2 3.49Å; M768-F904 HydrophobicContact CG-CE2 3.93Å; M768-F904 HydrophobicContact CG-CG 4.19Å; M768-F904 HydrophobicContact SD-CD2 4.17Å; M768-F904 HydrophobicContact SD-CE2 4.43Å; M768-F904 HydrophobicContact SD-CG 4.47Å; M768-L933 HydrophobicContact CE-CD2 4.38Å; M768-L933 HydrophobicContact SD-CD2 3.88Å
769	I	96.4	Very high	87.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.8	172.5	-59.3	176.9	0	0	0	107.3	T771 L870 F883 T885 L890 L893 V901 S902 N903 F904	I769-T771 HydrophobicContact CG2-CG2 4.42Å; I769-L870 HydrophobicContact CD1-CD2 3.87Å; I769-L870 HydrophobicContact CG1-CD2 4.05Å; I769-F883 CarbonylContact C-O 3.6Å; I769-F883 WeakPolarHBondContact CA-O 3.3Å; I769-T885 HydrophobicContact CG2-CG2 4.04Å; I769-L890 WeakPolarHBondContact CD1-O 3.49Å; I769-L893 HydrophobicContact CD1-CB 4.29Å; I769-V901 HydrophobicContact CD1-CG1 3.48Å; I769-V901 VanDerWaalsContact CD1-CG1 3.48Å; I769-V901 HydrophobicContact CG1-CG1 3.95Å; I769-S902 PolarHBondContact N-O 3.26Å; I769-N903 CarbonylContact O-C 3.57Å; I769-N903 WeakPolarHBondContact O-CA 3.45Å; I769-F904 PolarHBondContact O-N 2.71Å
770	I	94.1	Very high	87.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131	-173.8	-52.4	173.4	0	0	0	109.3	M768 K778 Y781 I782 F883 V884 T885 F904 L933	M768-I770 HydrophobicContact CG-CD1 4.22Å; M768-I770 HydrophobicContact CG-CG1 3.79Å; M768-I770 HydrophobicContact SD-CD1 3.97Å; M768-I770 HydrophobicContact SD-CG1 4.09Å; I770-K778 HydrophobicContact CG2-CD 4.25Å; I770-Y781 HydrophobicContact CD1-CD1 3.94Å; I770-Y781 HydrophobicContact CD1-CE1 3.75Å; I770-I782 HydrophobicContact CD1-CG2 3.79Å; I770-F883 PolarHBondContact N-O 3.36Å; I770-V884 HydrophobicContact CB-CG2 4.19Å; I770-V884 HydrophobicContact CD1-CG2 4.36Å; I770-V884 WeakPolarHBondContact O-CA 3.4Å; I770-T885 PolarHBondContact O-N 2.95Å; I770-F904 WeakPolarHBondContact CA-O 3.16Å; I770-L933 HydrophobicContact CG2-CD1 4.19Å
771	T	90.6	Very high	87	Confident	12 Å²	12	35.8 Å²	35.8	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.3	-174.5	55.9	0	0	0	0	111.9	I769 T885 F904 H905 M906 A938	I769-T771 HydrophobicContact CG2-CG2 4.42Å; T771-T885 HydrophobicContact CG2-CG2 4.37Å; T771-F904 PolarHBondContact N-O 2.99Å; T771-F904 PolarHBondContact OG1-O 3.46Å; T771-H905 WeakPolarHBondContact O-CA 3.21Å; T771-H905 WeakPolarHBondContact O-CB 3.42Å; T771-M906 PolarHBondContact O-N 3.05Å; T771-A938 WeakPolarHBondContact OG1-CB 3.12Å; T771-A938 PolarHBondContact OG1-N 3.02Å
772	G	81.9	Confident	87.1	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	120.4	-174.3	174.8	0	0	0	0	0	114.8	K778 H886	G772-K778 PolarHBondContact O-NZ 3.01Å; G772-H886 PolarHBondContact O-CE1 2.75Å; G772-H886 VanDerWaalsContact O-CE1 3.25Å
773	P	77.4	Confident	87.5	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.032	17%	0.168	C	C	.	.			trans	-64.8	155.8	-175.2	24.6	-33	0	0	0	113.4	G776 K778 F929 Y942 V946	P773-G776 PolarHBondContact O-N 3.48Å; P773-K778 VanDerWaalsContact C-NZ 3.34Å; P773-K778 PolarHBondContact O-NZ 3.06Å; P773-F929 HydrophobicContact CB-CE1 4.15Å; P773-F929 HydrophobicContact CG-CD1 4.21Å; P773-F929 HydrophobicContact CG-CE1 3.73Å; P773-Y942 HydrophobicContact CB-CD2 3.8Å; P773-Y942 HydrophobicContact CB-CE2 4.33Å; P773-Y942 HydrophobicContact CG-CD2 4.34Å; P773-V946 HydrophobicContact CB-CG2 4.43Å
774	N	76.9	Confident	88.2	Confident	87 Å²	87	23.3 Å²	23.3	47%	0.465	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-74.6	-32.5	-179.9	-71.6	18.3	0	0	0	111.9	G776 K778 E852 H886	N774-G776 PolarHBondContact O-N 3.49Å; N774-K778 PolarHBondContact OD1-NZ 2.85Å; N774-E852 PolarHBondContact ND2-OE1 3.2Å; N774-H886 PolarHBondContact OD1-CE1 3.32Å; N774-H886 PolarHBondContact OD1-NE2 2.8Å
775	M	72.3	Confident	88.6	Confident	128 Å²	128	21.1 Å²	21.1	63%	0.631	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-73.5	-6.7	173.3	-61	178.4	77.4	0	0	114.1	G777 F929 Y931	M775-G777 PolarHBondContact O-N 2.87Å; M775-G777 VanDerWaalsContact O-N 3.16Å; M775-F929 HydrophobicContact CB-CE2 3.97Å; M775-F929 HydrophobicContact CB-CZ 4.12Å; M775-Y931 VanDerWaalsContact O-CE1 3.32Å; M775-Y931 WeakPolarHBondContact O-CE1 3.41Å
776	G	68	Low	88.8	Confident	1 Å²	1	19 Å²	19	1%	0.01	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-77.7	11.5	-177.2	0	0	0	0	0	115.8	P773 N774 M906	P773-G776 PolarHBondContact O-N 3.48Å; N774-G776 PolarHBondContact O-N 3.49Å; G776-M906 VanDerWaalsContact O-CB 3.27Å; G776-M906 WeakPolarHBondContact O-CB 3.4Å; G776-M906 VanDerWaalsContact O-CE 3.28Å; G776-M906 WeakPolarHBondContact O-CE 3.39Å; G776-M906 VanDerWaalsContact O-CG 3.28Å; G776-M906 WeakPolarHBondContact O-CG 3.38Å
777	G	82.8	Confident	88.9	Confident	12 Å²	12	18.3 Å²	18.3	12%	0.124	10%	0.102	C	C	.	.	S	Bend	trans	82.9	9.5	179.2	0	0	0	0	0	116.3	M775 S779 S780 Y781	M775-G777 PolarHBondContact O-N 2.87Å; M775-G777 VanDerWaalsContact O-N 3.16Å; G777-S779 VanDerWaalsContact C-N 3.33Å; G777-S779 PolarHBondContact O-N 3.12Å; G777-S780 WeakPolarHBondContact O-CB 3.15Å; G777-S780 PolarHBondContact O-N 2.77Å; G777-S780 VanDerWaalsContact O-N 3.14Å; G777-Y781 PolarHBondContact O-N 2.67Å
778	K	87.9	Confident	88.9	Confident	3 Å²	3	18.3 Å²	18.3	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-50.6	-50.5	-178.7	-62.3	-158	-53.5	-82.3	0	112.6	I770 G772 P773 N774 S780 Y781 I782 V884 H886 M906	I770-K778 HydrophobicContact CG2-CD 4.25Å; G772-K778 PolarHBondContact O-NZ 3.01Å; P773-K778 VanDerWaalsContact C-NZ 3.34Å; P773-K778 PolarHBondContact O-NZ 3.06Å; N774-K778 PolarHBondContact OD1-NZ 2.85Å; K778-S780 VanDerWaalsContact C-N 3.33Å; K778-S780 PolarHBondContact O-N 3.02Å; K778-Y781 PolarHBondContact O-N 2.71Å; K778-I782 PolarHBondContact O-N 3.48Å; K778-I782 VanDerWaalsContact O-N 3.09Å; K778-V884 HydrophobicContact CD-CG1 3.71Å; K778-H886 PolarHBondContact NZ-NE2 3.23Å; K778-M906 HydrophobicContact CG-CG 3.72Å
779	S	88.6	Confident	88.9	Confident	47 Å²	47	18.3 Å²	18.3	33%	0.329	10%	0.102	S	C	.	.	H	α-helix	trans	-66.9	-33.8	-176.5	-48.2	0	0	0	0	112.3	G777 I782 R783	G777-S779 VanDerWaalsContact C-N 3.33Å; G777-S779 PolarHBondContact O-N 3.12Å; S779-I782 WeakPolarHBondContact O-CG1 3.45Å; S779-R783 WeakPolarHBondContact O-CB 3.4Å; S779-R783 VanDerWaalsContact O-CG 3.27Å; S779-R783 WeakPolarHBondContact O-CG 3.14Å; S779-R783 PolarHBondContact O-N 3.25Å; S779-R783 VanDerWaalsContact O-N 3.14Å
780	S	90.1	Very high	88.9	Confident	35 Å²	35	18.3 Å²	18.3	25%	0.245	10%	0.102	C	C	.	.	H	α-helix	trans	-65.8	-46.2	172.7	-49.1	0	0	0	0	111.2	H740 G777 K778 R783 Q784	H740-S780 PolarHBondContact CD2-O 3.37Å; G777-S780 WeakPolarHBondContact O-CB 3.15Å; G777-S780 PolarHBondContact O-N 2.77Å; G777-S780 VanDerWaalsContact O-N 3.14Å; K778-S780 VanDerWaalsContact C-N 3.33Å; K778-S780 PolarHBondContact O-N 3.02Å; S780-R783 PolarHBondContact O-N 2.89Å; S780-Q784 VanDerWaalsContact O-CB 3.25Å; S780-Q784 WeakPolarHBondContact O-CB 3.32Å; S780-Q784 PolarHBondContact O-N 3.06Å
781	Y	93.1	Very high	89	Confident	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-46.3	178.2	172	-100.4	0	0	0	112.8	N756 T758 M768 I770 G777 K778 R783 Q784 V785 L933	N756-Y781 HydrophobicContact CB-CD2 3.8Å; N756-Y781 HydrophobicContact CB-CE2 4.01Å; T758-Y781 WeakPolarHBondContact CG2-OH 3.44Å; T758-Y781 WeakPolarHBondContact OG1-CE2 3.34Å; T758-Y781 PolarHBondContact OG1-OH 2.69Å; M768-Y781 HydrophobicContact SD-CE1 3.88Å; M768-Y781 PolarHBondContact SD-OH 2.58Å; M768-Y781 VanDerWaalsContact SD-OH 3.42Å; I770-Y781 HydrophobicContact CD1-CD1 3.94Å; I770-Y781 HydrophobicContact CD1-CE1 3.75Å; G777-Y781 PolarHBondContact O-N 2.67Å; K778-Y781 PolarHBondContact O-N 2.71Å; Y781-R783 PolarHBondContact O-N 2.55Å; Y781-Q784 WeakPolarHBondContact O-CB 3.37Å; Y781-Q784 PolarHBondContact O-N 2.98Å; Y781-V785 HydrophobicContact CE1-CG2 4.24Å; Y781-V785 HydrophobicContact CE2-CG2 3.96Å; Y781-V785 WeakPolarHBondContact O-CG2 3.49Å; Y781-V785 PolarHBondContact O-N 3Å; Y781-V785 VanDerWaalsContact O-N 3.14Å; Y781-L933 HydrophobicContact CE1-CD1 4.48Å; Y781-L933 HydrophobicContact CE1-CD2 3.85Å; Y781-L933 HydrophobicContact CE2-CD2 4.08Å
782	I	94	Very high	89.3	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-35.6	-179.9	66	-174	0	0	0	112.5	I770 K778 S779 A786 M815 I849 D851 L882 V884	I770-I782 HydrophobicContact CD1-CG2 3.79Å; K778-I782 PolarHBondContact O-N 3.48Å; K778-I782 VanDerWaalsContact O-N 3.09Å; S779-I782 WeakPolarHBondContact O-CG1 3.45Å; I782-A786 PolarHBondContact O-N 3.09Å; I782-M815 HydrophobicContact CD1-CE 3.64Å; I782-M815 HydrophobicContact CD1-CG 4.36Å; I782-M815 HydrophobicContact CD1-SD 3.91Å; I782-M815 HydrophobicContact CG1-CE 3.87Å; I782-M815 HydrophobicContact CG1-SD 4.13Å; I782-I849 HydrophobicContact CB-CG2 4.03Å; I782-I849 HydrophobicContact CD1-CG2 3.9Å; I782-I849 HydrophobicContact CG1-CG2 4.23Å; I782-I849 WeakPolarHBondContact O-CD1 3.45Å; I782-D851 HydrophobicContact CD1-CB 4.41Å; I782-L882 HydrophobicContact CB-CD1 4.23Å; I782-L882 HydrophobicContact CG2-CB 4.46Å; I782-L882 HydrophobicContact CG2-CD1 4.12Å; I782-V884 HydrophobicContact CD1-CG2 3.95Å; I782-V884 HydrophobicContact CG2-CG2 3.83Å
783	R	94.1	Very high	89.9	Confident	46 Å²	46	18 Å²	18	17%	0.174	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-48	171.3	-77.7	172.2	168.8	-170.6	-9.2	111.3	N419 L420 E421 S779 S780 Y781 V785 A786 L787 M815	N419-R783 VanDerWaalsContact O-CZ 3.3Å; N419-R783 PolarHBondContact O-NE 3.46Å; N419-R783 PolarHBondContact O-NH2 3.19Å; L420-R783 HydrophobicContact CD2-CB 4.31Å; L420-R783 HydrophobicContact CD2-CG 3.97Å; E421-R783 IonicContact OE2-CZ 3.62Å; E421-R783 IonicContact OE2-NH1 3.18Å; E421-R783 PolarHBondContact OE2-NH1 3.48Å; E421-R783 IonicContact OE2-NH2 2.67Å; E421-R783 PolarHBondContact OE2-NH2 3.37Å; S779-R783 WeakPolarHBondContact O-CB 3.4Å; S779-R783 VanDerWaalsContact O-CG 3.27Å; S779-R783 WeakPolarHBondContact O-CG 3.14Å; S779-R783 PolarHBondContact O-N 3.25Å; S779-R783 VanDerWaalsContact O-N 3.14Å; S780-R783 PolarHBondContact O-N 2.89Å; Y781-R783 PolarHBondContact O-N 2.55Å; R783-V785 VanDerWaalsContact C-N 3.34Å; R783-V785 PolarHBondContact O-N 2.93Å; R783-A786 PolarHBondContact O-N 3.22Å; R783-L787 HydrophobicContact CB-CD1 4.35Å; R783-L787 WeakPolarHBondContact O-CB 3.28Å; R783-L787 VanDerWaalsContact O-CG 3.25Å; R783-L787 WeakPolarHBondContact O-CG 3.33Å; R783-L787 PolarHBondContact O-N 3.28Å; R783-M815 HydrophobicContact CG-CE 3.91Å; R783-M815 HydrophobicContact CG-SD 4.42Å
784	Q	94.9	Very high	90.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-51.7	-48.4	177.7	163.7	-174.7	-38.4	0	0	112.4	G738 H740 Y753 S780 Y781 A786 L787 I788	G738-Q784 PolarHBondContact O-NE2 3.27Å; H740-Q784 HydrophobicContact CB-CB 4.04Å; Y753-Q784 VanDerWaalsContact CE1-OE1 3.24Å; Y753-Q784 PolarHBondContact OH-OE1 3.48Å; S780-Q784 VanDerWaalsContact O-CB 3.25Å; S780-Q784 WeakPolarHBondContact O-CB 3.32Å; S780-Q784 PolarHBondContact O-N 3.06Å; Y781-Q784 WeakPolarHBondContact O-CB 3.37Å; Y781-Q784 PolarHBondContact O-N 2.98Å; Q784-A786 PolarHBondContact O-N 3.08Å; Q784-L787 PolarHBondContact O-N 3.02Å; Q784-I788 HydrophobicContact CG-CD1 3.78Å; Q784-I788 WeakPolarHBondContact O-CB 3.38Å; Q784-I788 WeakPolarHBondContact O-CG1 3.12Å; Q784-I788 PolarHBondContact O-N 2.82Å
785	V	96.8	Very high	91.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.3	-46	-179.3	176.5	0	0	0	0	111.2	I733 I735 T758 Y781 R783 C789 L847 L882	I733-V785 HydrophobicContact CG2-CG1 4.27Å; I735-V785 HydrophobicContact CD1-CG1 4.36Å; T758-V785 HydrophobicContact CG2-CG1 4.12Å; T758-V785 HydrophobicContact CG2-CG2 3.96Å; T758-V785 WeakPolarHBondContact OG1-CG2 3.49Å; Y781-V785 HydrophobicContact CE1-CG2 4.24Å; Y781-V785 HydrophobicContact CE2-CG2 3.96Å; Y781-V785 WeakPolarHBondContact O-CG2 3.49Å; Y781-V785 PolarHBondContact O-N 3Å; Y781-V785 VanDerWaalsContact O-N 3.14Å; R783-V785 VanDerWaalsContact C-N 3.34Å; R783-V785 PolarHBondContact O-N 2.93Å; V785-C789 PolarHBondContact O-N 3.32Å; V785-C789 PolarHBondContact O-SG 2.93Å; V785-L847 HydrophobicContact CG1-CD2 4.4Å; V785-L882 HydrophobicContact CB-CD1 4.04Å; V785-L882 HydrophobicContact CG1-CD1 4.12Å; V785-L882 HydrophobicContact CG2-CD1 4.31Å
786	A	96.6	Very high	92.8	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.6	-42.8	178	0	0	0	0	0	112.7	L420 I782 R783 Q784 I788 C789 V790 I811 L847 I849	L420-A786 HydrophobicContact CD1-CB 3.53Å; L420-A786 HydrophobicContact CD2-CB 3.75Å; L420-A786 HydrophobicContact CG-CB 4.32Å; I782-A786 PolarHBondContact O-N 3.09Å; R783-A786 PolarHBondContact O-N 3.22Å; Q784-A786 PolarHBondContact O-N 3.08Å; A786-I788 PolarHBondContact O-N 3.06Å; A786-C789 WeakPolarHBondContact O-CB 3.4Å; A786-C789 PolarHBondContact O-N 2.88Å; A786-V790 WeakPolarHBondContact O-CG2 3.46Å; A786-V790 PolarHBondContact O-N 2.88Å; A786-I811 HydrophobicContact CB-CD1 4.26Å; A786-I811 HydrophobicContact CB-CG2 4.06Å; A786-L847 HydrophobicContact CB-CD2 4.29Å; A786-I849 HydrophobicContact CB-CD1 3.86Å
787	L	96.9	Very high	94.2	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-64.4	-39	179.6	-70.1	171.2	0	0	0	112.3	L420 I422 L435 P741 R783 Q784 C789 V790 M791	L420-L787 HydrophobicContact CB-CD2 4.26Å; I422-L787 HydrophobicContact CG1-CD2 4.11Å; L435-L787 HydrophobicContact CB-CD2 4.03Å; L435-L787 HydrophobicContact CD1-CD2 4.34Å; L435-L787 HydrophobicContact CD2-CD2 3.85Å; L435-L787 HydrophobicContact CG-CD2 4.28Å; P741-L787 HydrophobicContact CG-CB 4.11Å; R783-L787 HydrophobicContact CB-CD1 4.35Å; R783-L787 WeakPolarHBondContact O-CB 3.28Å; R783-L787 VanDerWaalsContact O-CG 3.25Å; R783-L787 WeakPolarHBondContact O-CG 3.33Å; R783-L787 PolarHBondContact O-N 3.28Å; Q784-L787 PolarHBondContact O-N 3.02Å; L787-C789 VanDerWaalsContact C-N 3.33Å; L787-C789 PolarHBondContact O-N 3.14Å; L787-V790 PolarHBondContact O-N 3.43Å; L787-M791 WeakPolarHBondContact O-CG 3.18Å; L787-M791 PolarHBondContact O-N 3.3Å
788	I	96.9	Very high	94.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.5	-39.2	173.5	-72.6	171.7	0	0	0	110.9	I735 Q784 A786 A792 V798 L805	I735-I788 HydrophobicContact CD1-CB 4.12Å; I735-I788 HydrophobicContact CD1-CD1 4.24Å; I735-I788 HydrophobicContact CD1-CG2 3.72Å; I735-I788 HydrophobicContact CG1-CG2 4.14Å; I735-I788 HydrophobicContact CG2-CD1 3.96Å; Q784-I788 HydrophobicContact CG-CD1 3.78Å; Q784-I788 WeakPolarHBondContact O-CB 3.38Å; Q784-I788 WeakPolarHBondContact O-CG1 3.12Å; Q784-I788 PolarHBondContact O-N 2.82Å; A786-I788 PolarHBondContact O-N 3.06Å; I788-A792 WeakPolarHBondContact O-CB 3.28Å; I788-A792 PolarHBondContact O-N 3.19Å; I788-V798 HydrophobicContact CG2-CB 4.07Å; I788-V798 HydrophobicContact CG2-CG1 4.09Å; I788-V798 HydrophobicContact CG2-CG2 4.28Å; I788-L805 HydrophobicContact CG2-CD1 4.42Å
789	C	96.6	Very high	95.2	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.02	4%	0.042	C	C	.	.	H	α-helix	trans	-64.9	-43.4	174.3	-62.7	0	0	0	0	112.1	V785 A786 L787 A792 Q793 L808 I811	V785-C789 PolarHBondContact O-N 3.32Å; V785-C789 PolarHBondContact O-SG 2.93Å; A786-C789 WeakPolarHBondContact O-CB 3.4Å; A786-C789 PolarHBondContact O-N 2.88Å; L787-C789 VanDerWaalsContact C-N 3.33Å; L787-C789 PolarHBondContact O-N 3.14Å; C789-A792 PolarHBondContact O-N 2.89Å; C789-Q793 PolarHBondContact O-N 3.23Å; C789-L808 HydrophobicContact CB-CD1 3.85Å; C789-I811 HydrophobicContact CB-CD1 4.14Å
790	V	96.7	Very high	95.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-56.6	-53.9	173.9	169.4	0	0	0	0	110.7	M410 I422 L435 P458 A786 L787 A792 Q793 M794 I811	M410-V790 HydrophobicContact CE-CG2 3.86Å; I422-V790 HydrophobicContact CD1-CG2 4.31Å; L435-V790 HydrophobicContact CD2-CB 4.25Å; L435-V790 HydrophobicContact CD2-CG1 3.53Å; P458-V790 HydrophobicContact CG-CG1 3.85Å; A786-V790 WeakPolarHBondContact O-CG2 3.46Å; A786-V790 PolarHBondContact O-N 2.88Å; L787-V790 PolarHBondContact O-N 3.43Å; V790-A792 VanDerWaalsContact C-N 3.33Å; V790-A792 PolarHBondContact O-N 2.89Å; V790-Q793 PolarHBondContact O-N 3.16Å; V790-M794 HydrophobicContact CG1-SD 4.17Å; V790-M794 WeakPolarHBondContact O-CG 3.29Å; V790-M794 PolarHBondContact O-N 3.2Å; V790-I811 HydrophobicContact CG2-CD1 3.85Å
791	M	96.9	Very high	95.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.7	-40.1	-178.4	-72	175.6	68.1	0	0	112.8	L435 L439 Y721 P741 L787 M794 S796 Y797 V798	L435-M791 HydrophobicContact CD1-CG 3.84Å; L435-M791 HydrophobicContact CD1-SD 3.75Å; L435-M791 HydrophobicContact CD2-CG 4.3Å; L439-M791 HydrophobicContact CD1-CG 4.48Å; L439-M791 HydrophobicContact CD2-CE 3.93Å; Y721-M791 HydrophobicContact CE1-CE 3.89Å; P741-M791 HydrophobicContact CB-SD 3.9Å; P741-M791 HydrophobicContact CG-SD 3.46Å; P741-M791 WeakPolarHBondContact CG-SD 3.49Å; L787-M791 WeakPolarHBondContact O-CG 3.18Å; L787-M791 PolarHBondContact O-N 3.3Å; M791-M794 WeakPolarHBondContact O-CB 3.41Å; M791-M794 PolarHBondContact O-N 2.92Å; M791-S796 WeakPolarHBondContact O-CB 3.33Å; M791-S796 PolarHBondContact O-N 2.89Å; M791-Y797 VanDerWaalsContact CE-O 3.32Å; M791-Y797 WeakPolarHBondContact CE-O 3.09Å; M791-V798 HydrophobicContact CB-CG1 3.81Å
792	A	95.9	Very high	95.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-67	-44.5	177	0	0	0	0	0	112.8	I465 P724 I788 C789 V790 M794 G795 V798 L805	I465-A792 WeakPolarHBondContact CG2-O 3.42Å; P724-A792 HydrophobicContact CB-CB 3.78Å; P724-A792 HydrophobicContact CG-CB 3.59Å; I788-A792 WeakPolarHBondContact O-CB 3.28Å; I788-A792 PolarHBondContact O-N 3.19Å; C789-A792 PolarHBondContact O-N 2.89Å; V790-A792 VanDerWaalsContact C-N 3.33Å; V790-A792 PolarHBondContact O-N 2.89Å; A792-M794 VanDerWaalsContact C-N 3.27Å; A792-M794 PolarHBondContact O-N 2.83Å; A792-G795 PolarHBondContact O-N 3.18Å; A792-V798 HydrophobicContact CB-CG1 4.13Å; A792-L805 HydrophobicContact CB-CD1 3.24Å
793	Q	95.2	Very high	95.9	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.028	7%	0.072	C	C	.	.	H	α-helix	trans	-73.5	-14.3	176.4	-84.2	-179	-119.9	0	0	113.6	P458 L459 I465 C789 V790 L808	P458-Q793 HydrophobicContact CB-CB 3.89Å; L459-Q793 WeakPolarHBondContact CB-O 3.27Å; L459-Q793 PolarHBondContact N-O 2.87Å; L459-Q793 WeakPolarHBondContact O-CB 3.37Å; L459-Q793 PolarHBondContact O-NE2 3.39Å; I465-Q793 HydrophobicContact CD1-CB 4.47Å; I465-Q793 HydrophobicContact CD1-CG 4.09Å; C789-Q793 PolarHBondContact O-N 3.23Å; V790-Q793 PolarHBondContact O-N 3.16Å; Q793-L808 PolarHBondContact NE2-O 3.01Å
794	M	94.6	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.7	163.4	-72.3	175.3	62.9	0	0	113.1	L439 L451 W454 V455 P458 R468 L712 V790 M791 A792	L439-M794 HydrophobicContact CD1-CE 3.74Å; L439-M794 HydrophobicContact CD1-SD 3.84Å; L451-M794 HydrophobicContact CD1-CE 4.2Å; W454-M794 HydrophobicContact CB-CE 4.07Å; W454-M794 WeakPolarHBondContact O-CG 3Å; V455-M794 HydrophobicContact CB-CE 4.32Å; V455-M794 HydrophobicContact CB-SD 4.4Å; V455-M794 HydrophobicContact CG2-CE 3.44Å; V455-M794 VanDerWaalsContact CG2-CE 3.44Å; V455-M794 HydrophobicContact CG2-SD 3.92Å; P458-M794 HydrophobicContact CB-CG 4.14Å; P458-M794 HydrophobicContact CG-CG 4.17Å; R468-M794 WeakPolarHBondContact CD-O 3.49Å; R468-M794 PolarHBondContact NH1-O 3.07Å; L712-M794 HydrophobicContact CD2-CE 4.5Å; V790-M794 HydrophobicContact CG1-SD 4.17Å; V790-M794 WeakPolarHBondContact O-CG 3.29Å; V790-M794 PolarHBondContact O-N 3.2Å; M791-M794 WeakPolarHBondContact O-CB 3.41Å; M791-M794 PolarHBondContact O-N 2.92Å; A792-M794 VanDerWaalsContact C-N 3.27Å; A792-M794 PolarHBondContact O-N 2.83Å
795	G	95.3	Very high	95.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	17.8	-168.9	0	0	0	0	0	114.4	A792	A792-G795 PolarHBondContact O-N 3.18Å
796	S	96.7	Very high	95.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.			trans	-90.8	167.7	176.4	-161.8	0	0	0	0	112.5	P724 M791	P724-S796 WeakPolarHBondContact CD-O 3.44Å; P724-S796 WeakPolarHBondContact CG-O 3.46Å; M791-S796 WeakPolarHBondContact O-CB 3.33Å; M791-S796 PolarHBondContact O-N 2.89Å
797	Y	96.8	Very high	95.6	Very high	12 Å²	12	17.1 Å²	17.1	5%	0.047	8%	0.078	C	C	.	.			trans	-76.1	160	163.5	-81.6	-140.4	0	0	0	109.4	V472 Q473 M476 A716 C722 R723 M791	V472-Y797 HydrophobicContact CG1-CD2 3.81Å; V472-Y797 HydrophobicContact CG1-CE2 3.89Å; Q473-Y797 WeakPolarHBondContact CB-OH 3.32Å; Q473-Y797 WeakPolarHBondContact CG-OH 3.16Å; M476-Y797 HydrophobicContact CE-CE1 3.95Å; M476-Y797 HydrophobicContact SD-CD1 4.31Å; M476-Y797 HydrophobicContact SD-CE1 3.6Å; A716-Y797 HydrophobicContact CB-CD1 3.74Å; A716-Y797 HydrophobicContact CB-CD2 4.06Å; A716-Y797 HydrophobicContact CB-CE1 4.28Å; A716-Y797 HydrophobicContact CB-CG 3.61Å; C722-Y797 VanDerWaalsContact C-CD1 3.49Å; C722-Y797 WeakPolarHBondContact O-CA 3.3Å; C722-Y797 WeakPolarHBondContact O-CB 3.43Å; R723-Y797 HydrophobicContact CB-CD1 4.44Å; R723-Y797 HydrophobicContact CB-CD2 4.28Å; R723-Y797 HydrophobicContact CB-CE1 3.98Å; R723-Y797 HydrophobicContact CB-CE2 3.8Å; R723-Y797 HydrophobicContact CG-CD2 4.5Å; R723-Y797 HydrophobicContact CG-CE2 3.95Å; M791-Y797 VanDerWaalsContact CE-O 3.32Å; M791-Y797 WeakPolarHBondContact CE-O 3.09Å
798	V	96.8	Very high	95.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-125.5	146.6	-175.3	-64.6	0	0	0	0	112.3	Y721 C722 P724 I788 M791 A792 A800 A803	Y721-V798 CarbonylContact C-O 3.49Å; Y721-V798 VanDerWaalsContact CA-O 3.3Å; Y721-V798 WeakPolarHBondContact CA-O 3.38Å; C722-V798 PolarHBondContact N-O 2.58Å; C722-V798 PolarHBondContact O-N 3.35Å; P724-V798 HydrophobicContact CB-CG1 4.44Å; P724-V798 HydrophobicContact CB-CG2 4.03Å; P724-V798 HydrophobicContact CG-CG1 4.11Å; P724-V798 HydrophobicContact CG-CG2 4.3Å; I788-V798 HydrophobicContact CG2-CB 4.07Å; I788-V798 HydrophobicContact CG2-CG1 4.09Å; I788-V798 HydrophobicContact CG2-CG2 4.28Å; M791-V798 HydrophobicContact CB-CG1 3.81Å; A792-V798 HydrophobicContact CB-CG1 4.13Å; V798-A800 HydrophobicContact CG2-CB 4.27Å; V798-A800 PolarHBondContact O-N 3.33Å; V798-A803 HydrophobicContact CG2-CB 3.61Å
799	P	95.1	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-75.7	73.5	179	31.3	-35.7	0	0	0	111	Y721 G738 R739 P741	Y721-P799 HydrophobicContact CD1-CB 4.43Å; Y721-P799 HydrophobicContact CD2-CB 4.35Å; Y721-P799 HydrophobicContact CE1-CB 4.03Å; Y721-P799 HydrophobicContact CE1-CG 4.28Å; Y721-P799 HydrophobicContact CE2-CB 3.91Å; G738-P799 WeakPolarHBondContact CA-O 3.33Å; R739-P799 HydrophobicContact CB-CB 4.42Å; R739-P799 PolarHBondContact N-O 2.73Å; R739-P799 WeakPolarHBondContact O-CG 3.12Å; P741-P799 HydrophobicContact CB-CG 4.26Å; P741-P799 HydrophobicContact CG-CG 3.86Å
800	A	95	Very high	95	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	9%	0.086	C	C	.	.	S	Bend	trans	-148.9	162.6	178.4	0	0	0	0	0	108.7	N720 C722 I735 V798	N720-A800 PolarHBondContact O-N 3.04Å; C722-A800 VanDerWaalsContact CB-O 3.31Å; C722-A800 WeakPolarHBondContact CB-O 3.47Å; C722-A800 PolarHBondContact N-O 2.79Å; C722-A800 PolarHBondContact SG-O 3.28Å; C722-A800 VanDerWaalsContact SG-O 3.42Å; I735-A800 HydrophobicContact CG2-CB 3.88Å; V798-A800 HydrophobicContact CG2-CB 4.27Å; V798-A800 PolarHBondContact O-N 3.33Å
801	R	94.5	Very high	95	Very high	169 Å²	169	18.7 Å²	18.7	64%	0.638	9%	0.086	S	C	*	.	S	Bend	trans	-75.9	-46.9	173.6	176.8	-174.6	170.9	171.6	0.1	111.3	C722 T736 D737	C722-R801 WeakPolarHBondContact CB-O 3.4Å; T736-R801 PolarHBondContact O-N 3.47Å; D737-R801 HydrophobicContact CB-CB 3.83Å; D737-R801 WeakPolarHBondContact OD2-CD 3.1Å; D737-R801 IonicContact OD2-NH1 3.15Å; D737-R801 PolarHBondContact OD2-NH1 2.94Å
802	E	96	Very high	94.9	Very high	111 Å²	111	18.8 Å²	18.8	52%	0.519	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.4	169.7	-58.7	179.7	-140.1	0	0	109.8	T736	T736-E802 PolarHBondContact N-O 3.48Å; T736-E802 WeakPolarHBondContact OG1-CB 3.34Å; T736-E802 PolarHBondContact OG1-N 3.43Å; T736-E802 PolarHBondContact OG1-O 2.83Å
803	A	96.3	Very high	94.7	Very high	6 Å²	6	18.8 Å²	18.8	5%	0.05	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.9	173.7	0	0	0	0	0	110.9	P724 K725 M734 V798	P724-A803 HydrophobicContact CB-CB 3.97Å; K725-A803 PolarHBondContact N-O 3.28Å; M734-A803 CarbonylContact O-C 3.54Å; M734-A803 WeakPolarHBondContact O-CA 3.13Å; V798-A803 HydrophobicContact CG2-CB 3.61Å
804	C	95.3	Very high	94.5	Very high	19 Å²	19	19 Å²	19	13%	0.128	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	119.7	174.3	-172	0	0	0	0	109.3	K725 Q732 M734	K725-C804 HydrophobicContact CB-CB 4.3Å; K725-C804 CarbonylContact O-C 3.59Å; K725-C804 WeakPolarHBondContact O-CA 3.33Å; Q732-C804 PolarHBondContact NE2-SG 3.18Å; M734-C804 HydrophobicContact CB-CB 4.33Å; M734-C804 HydrophobicContact CE-CB 3.97Å; M734-C804 PolarHBondContact N-O 2.78Å; M734-C804 PolarHBondContact O-N 3.33Å
805	L	93.6	Very high	94	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.037	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.3	-161.7	-64.7	168	0	0	0	110.1	P724 K725 V726 C727 Q732 I733 I735 I788 A792	P724-L805 HydrophobicContact CB-CD1 4.19Å; K725-L805 PolarHBondContact O-N 2.98Å; V726-L805 CarbonylContact C-O 3.53Å; V726-L805 VanDerWaalsContact CA-O 3.28Å; V726-L805 WeakPolarHBondContact CA-O 3.41Å; C727-L805 PolarHBondContact N-O 2.93Å; Q732-L805 CarbonylContact O-C 3.48Å; Q732-L805 WeakPolarHBondContact O-CA 3.14Å; I733-L805 HydrophobicContact CB-CD2 4.19Å; I733-L805 HydrophobicContact CG1-CD2 4.26Å; I733-L805 HydrophobicContact CG2-CD2 3.77Å; I735-L805 HydrophobicContact CG1-CD2 4.49Å; I788-L805 HydrophobicContact CG2-CD1 4.42Å; A792-L805 HydrophobicContact CB-CD1 3.24Å
806	G	92.8	Very high	92.6	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.6	165.1	0	0	0	0	0	110.2	C727 Q732 L808	C727-G806 WeakPolarHBondContact O-CA 3.45Å; Q732-G806 PolarHBondContact O-N 2.91Å; G806-L808 PolarHBondContact O-N 3.28Å
807	V	93.4	Very high	90.6	Very high	18 Å²	18	24.8 Å²	24.8	11%	0.109	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-62.8	127.5	178.3	179.8	0	0	0	0	110.9	P462 I465 V726 C727	P462-V807 HydrophobicContact CG-CG2 4.08Å; I465-V807 HydrophobicContact CD1-CG2 4.36Å; V726-V807 HydrophobicContact CG1-CG2 3.62Å; C727-V807 PolarHBondContact O-N 2.88Å
808	L	93.8	Very high	88.5	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-95	145	174.5	-50.3	175.5	0	0	0	110.7	M410 I733 C789 Q793 G806 I811 R845 L847 F880	M410-L808 HydrophobicContact SD-CB 3.98Å; I733-L808 HydrophobicContact CD1-CD1 4.39Å; I733-L808 HydrophobicContact CD1-CD2 4.28Å; C789-L808 HydrophobicContact CB-CD1 3.85Å; Q793-L808 PolarHBondContact NE2-O 3.01Å; G806-L808 PolarHBondContact O-N 3.28Å; L808-I811 HydrophobicContact CD1-CD1 4.47Å; L808-I811 HydrophobicContact CD1-CG1 4.28Å; L808-R845 WeakPolarHBondContact CA-O 3.43Å; L808-R845 VanDerWaalsContact CD2-O 3.28Å; L808-R845 WeakPolarHBondContact CD2-O 3.33Å; L808-L847 HydrophobicContact CD1-CB 3.86Å; L808-L847 HydrophobicContact CD1-CD2 4.41Å; L808-F880 HydrophobicContact CD2-CD2 3.92Å; L808-F880 HydrophobicContact CD2-CE2 4.24Å
809	D	92.3	Very high	86.2	Confident	36 Å²	36	33.4 Å²	33.4	19%	0.193	19%	0.19	C	C	.	.	S	Bend	trans	-85.9	-25.7	174.2	69.4	-28.5	0	0	0	113	K411 T843 R845 S846	K411-D809 PolarHBondContact N-O 2.93Å; D809-T843 VanDerWaalsContact CG-OG1 3.27Å; D809-T843 PolarHBondContact OD1-OG1 2.91Å; D809-T843 WeakPolarHBondContact OD2-CB 3.37Å; D809-T843 WeakPolarHBondContact OD2-CG2 3.33Å; D809-T843 PolarHBondContact OD2-OG1 3.15Å; D809-R845 HydrophobicContact CB-CB 4.27Å; D809-S846 WeakPolarHBondContact OD1-CA 3.38Å; D809-S846 WeakPolarHBondContact OD1-CB 3.14Å; D809-S846 PolarHBondContact OD1-N 2.91Å; D809-S846 PolarHBondContact OD1-OG 3.41Å; D809-S846 PolarHBondContact OD2-OG 2.71Å
810	G	92.9	Very high	84	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	156.8	178.5	0	0	0	0	0	114.1	K411 S846 L847	K411-G810 CarbonylContact O-C 3.59Å; K411-G810 WeakPolarHBondContact O-CA 3.37Å; G810-S846 WeakPolarHBondContact O-CA 3.29Å; G810-L847 PolarHBondContact O-N 3.13Å
811	I	95.5	Very high	81.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.7	168.9	-52.8	-177.9	0	0	0	109	M410 K411 L412 T416 L420 A786 C789 V790 L808 T813 L847	M410-I811 HydrophobicContact CE-CD1 3.72Å; M410-I811 HydrophobicContact CE-CG1 3.98Å; M410-I811 HydrophobicContact SD-CD1 4.07Å; M410-I811 HydrophobicContact SD-CG1 3.8Å; K411-I811 PolarHBondContact O-N 3.48Å; L412-I811 HydrophobicContact CD2-CB 3.94Å; L412-I811 HydrophobicContact CD2-CG1 4.35Å; T416-I811 WeakPolarHBondContact CB-O 3.48Å; T416-I811 HydrophobicContact CG2-CB 4.27Å; T416-I811 HydrophobicContact CG2-CG2 4.22Å; T416-I811 WeakPolarHBondContact CG2-O 3.34Å; T416-I811 PolarHBondContact OG1-O 2.95Å; L420-I811 HydrophobicContact CD1-CG2 4.27Å; A786-I811 HydrophobicContact CB-CD1 4.26Å; A786-I811 HydrophobicContact CB-CG2 4.06Å; C789-I811 HydrophobicContact CB-CD1 4.14Å; V790-I811 HydrophobicContact CG2-CD1 3.85Å; L808-I811 HydrophobicContact CD1-CD1 4.47Å; L808-I811 HydrophobicContact CD1-CG1 4.28Å; I811-T813 HydrophobicContact CG2-CG2 4.17Å; I811-L847 WeakPolarHBondContact CA-O 3.48Å; I811-L847 HydrophobicContact CD1-CD2 4.43Å; I811-L847 HydrophobicContact CG1-CB 4.31Å; I811-L847 HydrophobicContact CG2-CB 4.46Å; I811-L847 HydrophobicContact CG2-CD2 4.3Å; I811-L847 HydrophobicContact CG2-CG 4.39Å
812	Y	94.7	Very high	79.5	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.4	-177.7	-61.4	-77.2	0	0	0	109.4	K411 I838 Q841 A842 L847 V848 I849	K411-Y812 WeakPolarHBondContact CD-OH 3.42Å; Y812-I838 HydrophobicContact CD1-CG1 4.49Å; Y812-I838 HydrophobicContact CG-CG2 4.25Å; Y812-Q841 HydrophobicContact CE1-CB 3.73Å; Y812-Q841 PolarHBondContact OH-O 3.29Å; Y812-Q841 VanDerWaalsContact OH-O 3.05Å; Y812-A842 HydrophobicContact CD2-CB 3.96Å; Y812-A842 HydrophobicContact CE2-CB 4.02Å; Y812-L847 PolarHBondContact N-O 3.32Å; Y812-V848 HydrophobicContact CD2-CG2 4.5Å; Y812-V848 CarbonylContact O-C 3.54Å; Y812-V848 WeakPolarHBondContact O-CA 3.43Å; Y812-I849 PolarHBondContact O-N 3.49Å
813	T	93.2	Very high	77.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.2	177.3	75.9	0	0	0	0	111.6	T416 N419 L420 I811 I849	T416-T813 WeakPolarHBondContact CA-OG1 3.28Å; T416-T813 HydrophobicContact CG2-CG2 4.1Å; T416-T813 PolarHBondContact OG1-N 2.82Å; T416-T813 VanDerWaalsContact OG1-N 3.08Å; N419-T813 WeakPolarHBondContact CB-OG1 3.26Å; N419-T813 PolarHBondContact ND2-OG1 3.09Å; L420-T813 HydrophobicContact CD1-CG2 4.11Å; L420-T813 HydrophobicContact CD2-CG2 4.03Å; L420-T813 HydrophobicContact CG-CG2 3.98Å; I811-T813 HydrophobicContact CG2-CG2 4.17Å; T813-I849 CarbonylContact C-O 3.59Å; T813-I849 WeakPolarHBondContact CA-O 3.42Å; T813-I849 HydrophobicContact CG2-CB 4.19Å; T813-I849 HydrophobicContact CG2-CD1 4.3Å
814	R	90.8	Very high	75.3	Confident	9 Å²	9	42.6 Å²	42.6	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.8	160.4	-166.8	-78.6	138.4	151.6	20.1	106.5	E831 E834 I838 I849 L850 D851	R814-E831 VanDerWaalsContact CZ-CG 3.48Å; R814-E831 IonicContact CZ-OE2 2.82Å; R814-E831 VanDerWaalsContact NH1-CD 3.25Å; R814-E831 IonicContact NH1-OE1 3.34Å; R814-E831 IonicContact NH1-OE2 3.8Å; R814-E831 PolarHBondContact NH1-OE2 3.47Å; R814-E831 VanDerWaalsContact NH2-CG 3.32Å; R814-E831 IonicContact NH2-OE2 3.21Å; R814-E831 PolarHBondContact NH2-OE2 3.04Å; R814-E834 HydrophobicContact CG-CB 4.24Å; R814-E834 IonicContact NE-OE2 3.02Å; R814-E834 PolarHBondContact NE-OE2 3.35Å; R814-I838 HydrophobicContact CB-CD1 3.92Å; R814-I849 PolarHBondContact N-O 3.47Å; R814-L850 HydrophobicContact CB-CD2 3.68Å; R814-D851 PolarHBondContact NH1-O 3.06Å; R814-D851 VanDerWaalsContact NH1-O 3.12Å; R814-D851 WeakPolarHBondContact O-CB 3.38Å; R814-D851 PolarHBondContact O-N 2.96Å
815	M	83.6	Confident	73.5	Confident	13 Å²	13	46.2 Å²	46.2	6%	0.064	27%	0.271	C	S	.	.			trans	-143.1	152	-174.2	-68.2	-176.3	57.5	0	0	111.9	N419 I782 R783 I849 D851	N419-M815 HydrophobicContact CB-CB 4.04Å; N419-M815 HydrophobicContact CB-SD 4.43Å; N419-M815 PolarHBondContact ND2-N 2.69Å; I782-M815 HydrophobicContact CD1-CE 3.64Å; I782-M815 HydrophobicContact CD1-CG 4.36Å; I782-M815 HydrophobicContact CD1-SD 3.91Å; I782-M815 HydrophobicContact CG1-CE 3.87Å; I782-M815 HydrophobicContact CG1-SD 4.13Å; R783-M815 HydrophobicContact CG-CE 3.91Å; R783-M815 HydrophobicContact CG-SD 4.42Å; M815-I849 HydrophobicContact CG-CG2 4.4Å; M815-I849 HydrophobicContact SD-CG2 4.3Å; M815-D851 HydrophobicContact CB-CB 4.43Å; M815-D851 HydrophobicContact CG-CB 4.06Å
816	G	66.7	Low	72.2	Confident	37 Å²	37	49.5 Å²	49.5	38%	0.381	29%	0.294	S	S	.	.	S	Bend	trans	70.3	-171.6	173.3	0	0	0	0	0	114.8	R855	G816-R855 VanDerWaalsContact O-CZ 3.28Å; G816-R855 PolarHBondContact O-NH1 3.4Å; G816-R855 PolarHBondContact O-NH2 3.47Å
817	A	53.8	Low	71.2	Confident	72 Å²	72	52.8 Å²	52.8	60%	0.595	31%	0.314	S	S	*	.			trans	-138.2	85.3	179.8	0	0	0	0	0	109.5
818	S	52.1	Low	70.7	Confident	86 Å²	86	53.4 Å²	53.4	60%	0.601	32%	0.315	S	S	*	.			trans	-94.1	100.8	176.7	56.9	0	0	0	0	110.6	N820	S818-N820 PolarHBondContact O-N 3.49Å
819	D	48.5	Very low	70.1	Confident	108 Å²	108	58.3 Å²	58.3	58%	0.578	34%	0.34	S	S	*	.			trans	-72.8	94.7	-177.1	-73.7	-7.6	0	0	0	111.9	I821 T827	D819-I821 HydrophobicContact CB-CG1 4.24Å; D819-I821 PolarHBondContact O-N 3.4Å; D819-T827 WeakPolarHBondContact OD1-CG2 3.36Å
820	N	49.2	Very low	69.5	Low	39 Å²	39	58 Å²	58	21%	0.209	34%	0.337	C	S	.	.			trans	-83.4	57.9	-178.7	-125.3	-38.4	0	0	0	112	S818 F822 K823 E830	S818-N820 PolarHBondContact O-N 3.49Å; N820-F822 PolarHBondContact O-N 3.39Å; N820-K823 HydrophobicContact CB-CB 4.48Å; N820-K823 HydrophobicContact CB-CD 4.14Å; N820-K823 HydrophobicContact CB-CG 4.23Å; N820-K823 WeakPolarHBondContact O-CB 3.49Å; N820-K823 PolarHBondContact O-N 2.94Å; N820-E830 VanDerWaalsContact CB-OE2 3.28Å; N820-E830 WeakPolarHBondContact CB-OE2 3.34Å
821	I	48.5	Very low	69.1	Low	139 Å²	139	58.1 Å²	58.1	71%	0.713	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-50.9	-37.2	-172.9	-57.1	176.7	0	0	0	112	D819 K823 G824	D819-I821 HydrophobicContact CB-CG1 4.24Å; D819-I821 PolarHBondContact O-N 3.4Å; I821-K823 VanDerWaalsContact C-N 3.27Å; I821-K823 PolarHBondContact O-N 2.99Å; I821-G824 PolarHBondContact O-N 3.33Å; I821-G824 VanDerWaalsContact O-N 3.08Å
822	F	45.8	Very low	68.7	Low	180 Å²	180	60.7 Å²	60.7	79%	0.789	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-62.1	-24.1	176.9	-65.9	-76.6	0	0	0	115	N820 G824	N820-F822 PolarHBondContact O-N 3.39Å; F822-G824 VanDerWaalsContact C-N 3.25Å; F822-G824 PolarHBondContact O-N 2.97Å
823	K	52.7	Low	68.3	Low	49 Å²	49	62.3 Å²	62.3	21%	0.213	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-75.2	-13.8	175.5	-68.3	-172.5	176.3	-175.1	0	112.4	E291 N820 I821 R825 E830	E291-K823 IonicContact OE2-NZ 2.71Å; E291-K823 PolarHBondContact OE2-NZ 3.13Å; N820-K823 HydrophobicContact CB-CB 4.48Å; N820-K823 HydrophobicContact CB-CD 4.14Å; N820-K823 HydrophobicContact CB-CG 4.23Å; N820-K823 WeakPolarHBondContact O-CB 3.49Å; N820-K823 PolarHBondContact O-N 2.94Å; I821-K823 VanDerWaalsContact C-N 3.27Å; I821-K823 PolarHBondContact O-N 2.99Å; K823-R825 PolarHBondContact O-N 2.85Å; K823-E830 VanDerWaalsContact CD-OE1 3.25Å; K823-E830 WeakPolarHBondContact CD-OE1 3.47Å
824	G	51.5	Low	68	Low	73 Å²	73	64.6 Å²	64.6	75%	0.753	37%	0.372	S	S	*	.			trans	66.6	21.6	177.9	0	0	0	0	0	114.2	I821 F822	I821-G824 PolarHBondContact O-N 3.33Å; I821-G824 VanDerWaalsContact O-N 3.08Å; F822-G824 VanDerWaalsContact C-N 3.25Å; F822-G824 PolarHBondContact O-N 2.97Å
825	R	59.1	Low	68	Low	94 Å²	94	64.5 Å²	64.5	36%	0.355	37%	0.373	S	S	.	.			trans	-107.1	153.2	179.9	-65.8	-179.1	-178.4	-177.3	3.3	110.1	P285 K823 E830	P285-R825 PolarHBondContact O-NH1 2.9Å; P285-R825 PolarHBondContact O-NH2 2.94Å; K823-R825 PolarHBondContact O-N 2.85Å; R825-E830 HydrophobicContact CB-CG 3.84Å; R825-E830 WeakPolarHBondContact CD-OE1 3.47Å
826	S	64.6	Low	68.3	Low	77 Å²	77	67.2 Å²	67.2	54%	0.538	39%	0.393	S	S	.	.			trans	-67.5	138.1	167.2	175.1	0	0	0	0	109.7	F828 M829 E830	S826-F828 PolarHBondContact O-N 3.14Å; S826-M829 WeakPolarHBondContact O-CA 3.42Å; S826-M829 WeakPolarHBondContact O-CB 3.43Å; S826-M829 PolarHBondContact O-N 3.06Å; S826-E830 PolarHBondContact O-N 2.8Å; S826-E830 VanDerWaalsContact O-N 3.16Å
827	T	72.8	Confident	69.4	Low	70 Å²	70	67.7 Å²	67.7	43%	0.429	39%	0.385	S	S	.	.	H	α-helix	trans	-56	-34.3	178.4	55.1	0	0	0	0	112.1	D819 E830 E831	D819-T827 WeakPolarHBondContact OD1-CG2 3.36Å; T827-E830 PolarHBondContact O-N 3.4Å; T827-E831 WeakPolarHBondContact O-CB 3.49Å; T827-E831 PolarHBondContact O-N 3.44Å
828	F	82.8	Confident	71.2	Confident	31 Å²	31	64.6 Å²	64.6	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-70.3	-30.3	174.2	-176.1	-119.3	0	0	0	113.5	S826 L832 T857 I865	S826-F828 PolarHBondContact O-N 3.14Å; F828-L832 HydrophobicContact CD1-CD1 4.21Å; F828-L832 HydrophobicContact CD2-CG 4.42Å; F828-L832 HydrophobicContact CE1-CD1 3.57Å; F828-L832 HydrophobicContact CE1-CG 4.2Å; F828-L832 HydrophobicContact CE2-CD1 4.21Å; F828-L832 HydrophobicContact CE2-CD2 4.09Å; F828-L832 HydrophobicContact CE2-CG 3.97Å; F828-L832 HydrophobicContact CZ-CD1 3.57Å; F828-L832 HydrophobicContact CZ-CD2 4.05Å; F828-L832 HydrophobicContact CZ-CG 3.85Å; F828-L832 WeakPolarHBondContact O-CG 3.13Å; F828-L832 PolarHBondContact O-N 3.45Å; F828-T857 HydrophobicContact CD2-CG2 4.42Å; F828-T857 HydrophobicContact CE1-CG2 3.94Å; F828-T857 HydrophobicContact CE2-CG2 3.65Å; F828-T857 HydrophobicContact CZ-CG2 3.36Å; F828-I865 HydrophobicContact CZ-CD1 3.93Å
829	M	81.9	Confident	73.1	Confident	108 Å²	108	63 Å²	63	53%	0.532	34%	0.343	S	S	.	.	H	α-helix	trans	-71.4	-37.2	174.2	-177.4	63	64.9	0	0	111	S826 T833	S826-M829 WeakPolarHBondContact O-CA 3.42Å; S826-M829 WeakPolarHBondContact O-CB 3.43Å; S826-M829 PolarHBondContact O-N 3.06Å; M829-T833 WeakPolarHBondContact O-CB 3.48Å; M829-T833 PolarHBondContact O-N 2.86Å; M829-T833 PolarHBondContact O-OG1 3.36Å
830	E	79.3	Confident	75.1	Confident	29 Å²	29	62.3 Å²	62.3	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-44.1	174	-55.6	-154	136.9	0	0	110.8	N820 K823 R825 S826 T827 L832 T833 E834	N820-E830 VanDerWaalsContact CB-OE2 3.28Å; N820-E830 WeakPolarHBondContact CB-OE2 3.34Å; K823-E830 VanDerWaalsContact CD-OE1 3.25Å; K823-E830 WeakPolarHBondContact CD-OE1 3.47Å; R825-E830 HydrophobicContact CB-CG 3.84Å; R825-E830 WeakPolarHBondContact CD-OE1 3.47Å; S826-E830 PolarHBondContact O-N 2.8Å; S826-E830 VanDerWaalsContact O-N 3.16Å; T827-E830 PolarHBondContact O-N 3.4Å; E830-L832 PolarHBondContact O-N 3.24Å; E830-T833 WeakPolarHBondContact O-CB 3.13Å; E830-T833 PolarHBondContact O-N 2.82Å; E830-E834 WeakPolarHBondContact O-CG 3.4Å; E830-E834 PolarHBondContact O-N 3.42Å
831	E	84.6	Confident	77	Confident	3 Å²	3	63.2 Å²	63.2	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-53.4	-45.9	172.1	174.7	169.4	134.4	0	0	113.5	R814 T827 A835 L853 G854 R855	R814-E831 VanDerWaalsContact CZ-CG 3.48Å; R814-E831 IonicContact CZ-OE2 2.82Å; R814-E831 VanDerWaalsContact NH1-CD 3.25Å; R814-E831 IonicContact NH1-OE1 3.34Å; R814-E831 IonicContact NH1-OE2 3.8Å; R814-E831 PolarHBondContact NH1-OE2 3.47Å; R814-E831 VanDerWaalsContact NH2-CG 3.32Å; R814-E831 IonicContact NH2-OE2 3.21Å; R814-E831 PolarHBondContact NH2-OE2 3.04Å; T827-E831 WeakPolarHBondContact O-CB 3.49Å; T827-E831 PolarHBondContact O-N 3.44Å; E831-A835 WeakPolarHBondContact O-CB 3.4Å; E831-A835 PolarHBondContact O-N 3.18Å; E831-L853 HydrophobicContact CG-CD1 4.07Å; E831-G854 PolarHBondContact OE1-N 3.26Å; E831-R855 IonicContact OE2-CZ 3.94Å; E831-R855 IonicContact OE2-NE 3.53Å; E831-R855 IonicContact OE2-NH2 2.82Å
832	L	87.8	Confident	79.2	Confident	53 Å²	53	57.2 Å²	57.2	28%	0.277	32%	0.321	S	S	.	.	H	α-helix	trans	-72.6	-28.5	176.5	-69.8	-175.8	0	0	0	113.2	F828 E830 S836 I865	F828-L832 HydrophobicContact CD1-CD1 4.21Å; F828-L832 HydrophobicContact CD2-CG 4.42Å; F828-L832 HydrophobicContact CE1-CD1 3.57Å; F828-L832 HydrophobicContact CE1-CG 4.2Å; F828-L832 HydrophobicContact CE2-CD1 4.21Å; F828-L832 HydrophobicContact CE2-CD2 4.09Å; F828-L832 HydrophobicContact CE2-CG 3.97Å; F828-L832 HydrophobicContact CZ-CD1 3.57Å; F828-L832 HydrophobicContact CZ-CD2 4.05Å; F828-L832 HydrophobicContact CZ-CG 3.85Å; F828-L832 WeakPolarHBondContact O-CG 3.13Å; F828-L832 PolarHBondContact O-N 3.45Å; E830-L832 PolarHBondContact O-N 3.24Å; L832-S836 WeakPolarHBondContact O-CB 3.21Å; L832-S836 PolarHBondContact O-N 3.42Å; L832-I865 HydrophobicContact CD2-CG2 4.09Å
833	T	86.3	Confident	81.5	Confident	38 Å²	38	51.3 Å²	51.3	23%	0.233	30%	0.3	C	S	.	.	H	α-helix	trans	-68.6	-48.3	174.6	-56.3	0	0	0	0	110.1	M829 E830 A835 S836 E837	M829-T833 WeakPolarHBondContact O-CB 3.48Å; M829-T833 PolarHBondContact O-N 2.86Å; M829-T833 PolarHBondContact O-OG1 3.36Å; E830-T833 WeakPolarHBondContact O-CB 3.13Å; E830-T833 PolarHBondContact O-N 2.82Å; T833-A835 VanDerWaalsContact C-N 3.35Å; T833-A835 PolarHBondContact O-N 3.05Å; T833-S836 WeakPolarHBondContact O-CB 3.29Å; T833-S836 PolarHBondContact O-N 3.44Å; T833-E837 WeakPolarHBondContact O-CG 3.4Å; T833-E837 PolarHBondContact O-N 2.85Å
834	E	86.6	Confident	83.4	Confident	48 Å²	48	52.9 Å²	52.9	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-48.7	172.5	-68.6	-179	146.4	0	0	111.1	R814 E830 S836 E837 I838	R814-E834 HydrophobicContact CG-CB 4.24Å; R814-E834 IonicContact NE-OE2 3.02Å; R814-E834 PolarHBondContact NE-OE2 3.35Å; E830-E834 WeakPolarHBondContact O-CG 3.4Å; E830-E834 PolarHBondContact O-N 3.42Å; E834-S836 VanDerWaalsContact C-N 3.32Å; E834-S836 PolarHBondContact O-N 3.17Å; E834-E837 PolarHBondContact O-N 3.23Å; E834-I838 VanDerWaalsContact O-CG1 3.3Å; E834-I838 WeakPolarHBondContact O-CG1 3.24Å; E834-I838 PolarHBondContact O-N 2.94Å
835	A	90.1	Very high	85.3	Confident	7 Å²	7	54.9 Å²	54.9	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-39	178.6	0	0	0	0	0	112.8	E831 T833 I838 I839 L853	E831-A835 WeakPolarHBondContact O-CB 3.4Å; E831-A835 PolarHBondContact O-N 3.18Å; T833-A835 VanDerWaalsContact C-N 3.35Å; T833-A835 PolarHBondContact O-N 3.05Å; A835-I838 PolarHBondContact O-N 3.04Å; A835-I839 WeakPolarHBondContact O-CB 3.33Å; A835-I839 WeakPolarHBondContact O-CD1 3.41Å; A835-I839 WeakPolarHBondContact O-CG1 3.47Å; A835-I839 PolarHBondContact O-N 2.98Å; A835-L853 HydrophobicContact CB-CD1 4.06Å
836	S	90.6	Very high	87	Confident	71 Å²	71	50.4 Å²	50.4	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-38.5	176.9	-168	0	0	0	0	112.8	L832 T833 E834 I839 S840	L832-S836 WeakPolarHBondContact O-CB 3.21Å; L832-S836 PolarHBondContact O-N 3.42Å; T833-S836 WeakPolarHBondContact O-CB 3.29Å; T833-S836 PolarHBondContact O-N 3.44Å; E834-S836 VanDerWaalsContact C-N 3.32Å; E834-S836 PolarHBondContact O-N 3.17Å; S836-I839 PolarHBondContact O-N 2.81Å; S836-S840 PolarHBondContact O-N 3.46Å; S836-S840 PolarHBondContact O-OG 2.87Å
837	E	88.3	Confident	88.5	Confident	46 Å²	46	46.7 Å²	46.7	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-44	173.7	-70.8	174	-162.1	0	0	111	S286 S288 T833 E834 I839 S840 Q841	S286-E837 WeakPolarHBondContact CB-OE1 3.36Å; S286-E837 PolarHBondContact OG-OE1 2.96Å; S288-E837 WeakPolarHBondContact CB-OE2 3.19Å; S288-E837 PolarHBondContact OG-OE1 2.79Å; S288-E837 PolarHBondContact OG-OE2 2.86Å; T833-E837 WeakPolarHBondContact O-CG 3.4Å; T833-E837 PolarHBondContact O-N 2.85Å; E834-E837 PolarHBondContact O-N 3.23Å; E837-I839 PolarHBondContact O-N 2.92Å; E837-S840 PolarHBondContact O-N 3.4Å; E837-S840 PolarHBondContact O-OG 3.28Å; E837-S840 VanDerWaalsContact O-OG 3.1Å; E837-Q841 WeakPolarHBondContact O-CB 3.25Å; E837-Q841 WeakPolarHBondContact O-CG 3.3Å; E837-Q841 PolarHBondContact O-N 2.93Å
838	I	92.4	Very high	89.7	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-43.4	175.2	-62.7	175.1	0	0	0	111.3	Y812 R814 E834 A835 S840 Q841 A842 V848 L850 F873	Y812-I838 HydrophobicContact CD1-CG1 4.49Å; Y812-I838 HydrophobicContact CG-CG2 4.25Å; R814-I838 HydrophobicContact CB-CD1 3.92Å; E834-I838 VanDerWaalsContact O-CG1 3.3Å; E834-I838 WeakPolarHBondContact O-CG1 3.24Å; E834-I838 PolarHBondContact O-N 2.94Å; A835-I838 PolarHBondContact O-N 3.04Å; I838-S840 VanDerWaalsContact C-N 3.26Å; I838-S840 PolarHBondContact O-N 2.69Å; I838-Q841 PolarHBondContact O-N 2.76Å; I838-A842 WeakPolarHBondContact O-CB 3.21Å; I838-A842 PolarHBondContact O-N 2.86Å; I838-V848 HydrophobicContact CG2-CG1 3.94Å; I838-V848 HydrophobicContact CG2-CG2 4.27Å; I838-L850 HydrophobicContact CD1-CD2 4.05Å; I838-F873 HydrophobicContact CG2-CZ 3.98Å
839	I	92.9	Very high	90.3	Very high	52 Å²	52	41.9 Å²	41.9	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-32.2	177.4	-75.4	164.6	0	0	0	112.2	A835 S836 E837 T869 Y872 F873	A835-I839 WeakPolarHBondContact O-CB 3.33Å; A835-I839 WeakPolarHBondContact O-CD1 3.41Å; A835-I839 WeakPolarHBondContact O-CG1 3.47Å; A835-I839 PolarHBondContact O-N 2.98Å; S836-I839 PolarHBondContact O-N 2.81Å; E837-I839 PolarHBondContact O-N 2.92Å; I839-T869 HydrophobicContact CD1-CG2 4.07Å; I839-Y872 HydrophobicContact CG2-CD1 4.3Å; I839-Y872 HydrophobicContact CG2-CE1 3.81Å; I839-F873 HydrophobicContact CG1-CE2 3.87Å; I839-F873 HydrophobicContact CG1-CZ 3.66Å
840	S	89.8	Confident	90.9	Very high	93 Å²	93	36.8 Å²	36.8	65%	0.65	20%	0.198	S	C	*	.	H	α-helix	trans	-91.5	-20.2	-178.4	52.2	0	0	0	0	114.7	S836 E837 I838	S836-S840 PolarHBondContact O-N 3.46Å; S836-S840 PolarHBondContact O-OG 2.87Å; E837-S840 PolarHBondContact O-N 3.4Å; E837-S840 PolarHBondContact O-OG 3.28Å; E837-S840 VanDerWaalsContact O-OG 3.1Å; I838-S840 VanDerWaalsContact C-N 3.26Å; I838-S840 PolarHBondContact O-N 2.69Å
841	Q	89.1	Confident	91.6	Very high	58 Å²	58	35.9 Å²	35.9	27%	0.271	19%	0.194	S	C	.	.	H	α-helix	trans	-102.9	-22.6	179.8	-64.9	-167.2	-1.6	0	0	115.2	E289 Y812 E837 I838	E289-Q841 PolarHBondContact OE1-NE2 2.99Å; Y812-Q841 HydrophobicContact CE1-CB 3.73Å; Y812-Q841 PolarHBondContact OH-O 3.29Å; Y812-Q841 VanDerWaalsContact OH-O 3.05Å; E837-Q841 WeakPolarHBondContact O-CB 3.25Å; E837-Q841 WeakPolarHBondContact O-CG 3.3Å; E837-Q841 PolarHBondContact O-N 2.93Å; I838-Q841 PolarHBondContact O-N 2.76Å
842	A	93.9	Very high	91.8	Very high	14 Å²	14	37.7 Å²	37.7	12%	0.116	20%	0.203	C	C	.	.			trans	-75.7	142.7	-176.3	0	0	0	0	0	113.3	Y812 I838 V848 F873 V877	Y812-A842 HydrophobicContact CD2-CB 3.96Å; Y812-A842 HydrophobicContact CE2-CB 4.02Å; I838-A842 WeakPolarHBondContact O-CB 3.21Å; I838-A842 PolarHBondContact O-N 2.86Å; A842-V848 HydrophobicContact CB-CG2 3.82Å; A842-F873 HydrophobicContact CB-CE1 4.17Å; A842-V877 HydrophobicContact CB-CG1 4.36Å
843	T	93.6	Very high	91.9	Very high	55 Å²	55	35.2 Å²	35.2	34%	0.337	19%	0.19	S	C	.	.			trans	-120	176.4	177.5	81.4	0	0	0	0	111.2	D809 R845 S846 S879	D809-T843 VanDerWaalsContact CG-OG1 3.27Å; D809-T843 PolarHBondContact OD1-OG1 2.91Å; D809-T843 WeakPolarHBondContact OD2-CB 3.37Å; D809-T843 WeakPolarHBondContact OD2-CG2 3.33Å; D809-T843 PolarHBondContact OD2-OG1 3.15Å; T843-R845 PolarHBondContact O-N 2.97Å; T843-R845 VanDerWaalsContact O-N 3.1Å; T843-R845 PolarHBondContact OG1-N 2.82Å; T843-R845 VanDerWaalsContact OG1-N 3.12Å; T843-S846 PolarHBondContact N-OG 3.11Å; T843-S846 WeakPolarHBondContact O-CB 3.39Å; T843-S846 PolarHBondContact O-N 3.33Å; T843-S846 PolarHBondContact O-OG 3.01Å; T843-S846 PolarHBondContact OG1-OG 3.2Å; T843-S879 VanDerWaalsContact O-CB 3.27Å; T843-S879 WeakPolarHBondContact O-CB 3.45Å
844	E	92.9	Very high	91.9	Very high	82 Å²	82	33.4 Å²	33.4	38%	0.383	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.9	173	61.2	160.1	-163.5	0	0	114.3	R762 V877	R762-E844 IonicContact CZ-OE1 3.9Å; R762-E844 IonicContact CZ-OE2 2.78Å; R762-E844 IonicContact NE-OE2 3.33Å; R762-E844 IonicContact NH2-OE1 2.76Å; R762-E844 PolarHBondContact NH2-OE1 2.86Å; R762-E844 IonicContact NH2-OE2 2.75Å; R762-E844 PolarHBondContact NH2-OE2 2.88Å; E844-V877 WeakPolarHBondContact CA-O 3.28Å
845	R	91.9	Very high	91.9	Very high	115 Å²	115	35 Å²	35	43%	0.434	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.7	175.8	-73.2	-178.2	165.7	-172.3	-10.1	113.6	H731 L808 D809 T843	H731-R845 VanDerWaalsContact CE1-CZ 3.49Å; H731-R845 PolarHBondContact CE1-NE 2.86Å; H731-R845 PolarHBondContact CE1-NH2 3.26Å; H731-R845 VanDerWaalsContact CE1-NH2 3.29Å; H731-R845 PolarHBondContact NE2-NE 2.87Å; H731-R845 PolarHBondContact NE2-NH2 2.77Å; L808-R845 WeakPolarHBondContact CA-O 3.43Å; L808-R845 VanDerWaalsContact CD2-O 3.28Å; L808-R845 WeakPolarHBondContact CD2-O 3.33Å; D809-R845 HydrophobicContact CB-CB 4.27Å; T843-R845 PolarHBondContact O-N 2.97Å; T843-R845 VanDerWaalsContact O-N 3.1Å; T843-R845 PolarHBondContact OG1-N 2.82Å; T843-R845 VanDerWaalsContact OG1-N 3.12Å
846	S	94.8	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.			trans	-85.6	153.7	-174.6	-51	0	0	0	0	112.8	D809 G810 T843 S879 F880	D809-S846 WeakPolarHBondContact OD1-CA 3.38Å; D809-S846 WeakPolarHBondContact OD1-CB 3.14Å; D809-S846 PolarHBondContact OD1-N 2.91Å; D809-S846 PolarHBondContact OD1-OG 3.41Å; D809-S846 PolarHBondContact OD2-OG 2.71Å; G810-S846 WeakPolarHBondContact O-CA 3.29Å; T843-S846 PolarHBondContact N-OG 3.11Å; T843-S846 WeakPolarHBondContact O-CB 3.39Å; T843-S846 PolarHBondContact O-N 3.33Å; T843-S846 PolarHBondContact O-OG 3.01Å; T843-S846 PolarHBondContact OG1-OG 3.2Å; S846-S879 WeakPolarHBondContact O-CB 3.12Å; S846-F880 PolarHBondContact O-N 2.86Å
847	L	96.6	Very high	91.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.8	163.8	175.7	61.3	0	0	0	109.5	I733 V785 A786 L808 G810 I811 Y812 I849 F880 L882	I733-L847 HydrophobicContact CD1-CD1 4.17Å; I733-L847 HydrophobicContact CD1-CD2 4.35Å; V785-L847 HydrophobicContact CG1-CD2 4.4Å; A786-L847 HydrophobicContact CB-CD2 4.29Å; L808-L847 HydrophobicContact CD1-CB 3.86Å; L808-L847 HydrophobicContact CD1-CD2 4.41Å; G810-L847 PolarHBondContact O-N 3.13Å; I811-L847 WeakPolarHBondContact CA-O 3.48Å; I811-L847 HydrophobicContact CD1-CD2 4.43Å; I811-L847 HydrophobicContact CG1-CB 4.31Å; I811-L847 HydrophobicContact CG2-CB 4.46Å; I811-L847 HydrophobicContact CG2-CD2 4.3Å; I811-L847 HydrophobicContact CG2-CG 4.39Å; Y812-L847 PolarHBondContact N-O 3.32Å; L847-I849 HydrophobicContact CD1-CG1 4.5Å; L847-I849 HydrophobicContact CD2-CD1 4.44Å; L847-I849 HydrophobicContact CG-CG1 4.29Å; L847-F880 HydrophobicContact CD1-CB 3.97Å; L847-L882 HydrophobicContact CD1-CG 4.4Å
848	V	97.2	Very high	91.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.6	179.6	175.5	0	0	0	0	109.2	Y812 I838 A842 L850 F873 F880 T881 L882	Y812-V848 HydrophobicContact CD2-CG2 4.5Å; Y812-V848 CarbonylContact O-C 3.54Å; Y812-V848 WeakPolarHBondContact O-CA 3.43Å; I838-V848 HydrophobicContact CG2-CG1 3.94Å; I838-V848 HydrophobicContact CG2-CG2 4.27Å; A842-V848 HydrophobicContact CB-CG2 3.82Å; V848-L850 HydrophobicContact CG1-CD1 4.13Å; V848-L850 HydrophobicContact CG1-CD2 4.33Å; V848-L850 HydrophobicContact CG1-CG 3.89Å; V848-F873 HydrophobicContact CG1-CD1 4.46Å; V848-F873 HydrophobicContact CG1-CE1 4.17Å; V848-F873 HydrophobicContact CG1-CE2 4.31Å; V848-F873 HydrophobicContact CG1-CZ 4.1Å; V848-F873 HydrophobicContact CG2-CD1 4.31Å; V848-F873 HydrophobicContact CG2-CE1 3.97Å; V848-F880 PolarHBondContact N-O 3.05Å; V848-T881 CarbonylContact O-C 3.49Å; V848-T881 WeakPolarHBondContact O-CA 3.3Å; V848-L882 PolarHBondContact O-N 2.54Å
849	I	96.6	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.8	177.5	-55.8	-175	0	0	0	108.2	I782 A786 Y812 T813 R814 M815 L847 L882	I782-I849 HydrophobicContact CB-CG2 4.03Å; I782-I849 HydrophobicContact CD1-CG2 3.9Å; I782-I849 HydrophobicContact CG1-CG2 4.23Å; I782-I849 WeakPolarHBondContact O-CD1 3.45Å; A786-I849 HydrophobicContact CB-CD1 3.86Å; Y812-I849 PolarHBondContact O-N 3.49Å; T813-I849 CarbonylContact C-O 3.59Å; T813-I849 WeakPolarHBondContact CA-O 3.42Å; T813-I849 HydrophobicContact CG2-CB 4.19Å; T813-I849 HydrophobicContact CG2-CD1 4.3Å; R814-I849 PolarHBondContact N-O 3.47Å; M815-I849 HydrophobicContact CG-CG2 4.4Å; M815-I849 HydrophobicContact SD-CG2 4.3Å; L847-I849 HydrophobicContact CD1-CG1 4.5Å; L847-I849 HydrophobicContact CD2-CD1 4.44Å; L847-I849 HydrophobicContact CG-CG1 4.29Å; I849-L882 WeakPolarHBondContact CA-O 3.34Å; I849-L882 HydrophobicContact CD1-CD1 4.07Å; I849-L882 HydrophobicContact CG1-CB 4.24Å; I849-L882 HydrophobicContact CG1-CD1 4.19Å; I849-L882 HydrophobicContact CG1-CG 4.41Å; I849-L882 HydrophobicContact CG2-CB 4.46Å
850	L	94.6	Very high	91.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.1	-179.8	-61.8	175.6	0	0	0	109.4	R814 I838 V848 L853 T869 F873 L882 F883 V884	R814-L850 HydrophobicContact CB-CD2 3.68Å; I838-L850 HydrophobicContact CD1-CD2 4.05Å; V848-L850 HydrophobicContact CG1-CD1 4.13Å; V848-L850 HydrophobicContact CG1-CD2 4.33Å; V848-L850 HydrophobicContact CG1-CG 3.89Å; L850-L853 HydrophobicContact CD1-CD2 4.37Å; L850-T869 HydrophobicContact CD1-CG2 4.05Å; L850-F873 HydrophobicContact CD1-CD2 4.07Å; L850-F873 HydrophobicContact CD1-CE2 3.78Å; L850-L882 PolarHBondContact N-O 3.49Å; L850-F883 HydrophobicContact CB-CD2 3.85Å; L850-F883 HydrophobicContact CB-CE2 3.95Å; L850-F883 HydrophobicContact CD1-CD2 3.83Å; L850-F883 HydrophobicContact CD1-CE2 3.66Å; L850-F883 HydrophobicContact CG-CD2 4.41Å; L850-F883 HydrophobicContact CG-CE2 4.45Å; L850-V884 PolarHBondContact O-N 2.89Å
851	D	92.2	Very high	91.3	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.9	-179.4	-158.7	11.5	0	0	0	110.7	I782 R814 M815 L853 V884	I782-D851 HydrophobicContact CD1-CB 4.41Å; R814-D851 PolarHBondContact NH1-O 3.06Å; R814-D851 VanDerWaalsContact NH1-O 3.12Å; R814-D851 WeakPolarHBondContact O-CB 3.38Å; R814-D851 PolarHBondContact O-N 2.96Å; M815-D851 HydrophobicContact CB-CB 4.43Å; M815-D851 HydrophobicContact CG-CB 4.06Å; D851-L853 PolarHBondContact O-N 3.43Å; D851-L853 VanDerWaalsContact O-N 3.09Å; D851-V884 VanDerWaalsContact OD1-CB 3.27Å; D851-V884 WeakPolarHBondContact OD1-CB 3.26Å; D851-V884 VanDerWaalsContact OD1-CG1 3.31Å; D851-V884 WeakPolarHBondContact OD1-CG1 3.25Å
852	E	89.1	Confident	91.5	Very high	42 Å²	42	40 Å²	40	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	50	32.4	177.4	-56.4	-176.7	159.5	0	0	115.8	N774 G854 R855 V884 H886	N774-E852 PolarHBondContact ND2-OE1 3.2Å; E852-G854 PolarHBondContact O-N 2.96Å; E852-R855 HydrophobicContact CB-CB 4.4Å; E852-R855 HydrophobicContact CB-CG 4.38Å; E852-R855 WeakPolarHBondContact O-CB 3.45Å; E852-R855 WeakPolarHBondContact O-CG 3.42Å; E852-R855 PolarHBondContact O-N 3.42Å; E852-R855 VanDerWaalsContact OE2-CD 3.28Å; E852-R855 WeakPolarHBondContact OE2-CD 3.18Å; E852-R855 IonicContact OE2-CZ 2.76Å; E852-R855 IonicContact OE2-NE 2.83Å; E852-R855 IonicContact OE2-NH1 3.29Å; E852-R855 PolarHBondContact OE2-NH1 3.48Å; E852-R855 VanDerWaalsContact OE2-NH1 3.15Å; E852-V884 PolarHBondContact N-O 2.92Å; E852-H886 IonicContact OE1-CD2 3.15Å; E852-H886 IonicContact OE1-NE2 2.67Å
853	L	90.7	Very high	91.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	129.8	177.7	-179.5	65.1	0	0	0	111.3	E831 A835 L850 D851 A866 T869 F883	E831-L853 HydrophobicContact CG-CD1 4.07Å; A835-L853 HydrophobicContact CB-CD1 4.06Å; L850-L853 HydrophobicContact CD1-CD2 4.37Å; D851-L853 PolarHBondContact O-N 3.43Å; D851-L853 VanDerWaalsContact O-N 3.09Å; L853-A866 WeakPolarHBondContact O-CB 3.41Å; L853-T869 HydrophobicContact CD2-CG2 3.73Å; L853-F883 HydrophobicContact CB-CZ 4.15Å; L853-F883 HydrophobicContact CD2-CE2 4.27Å; L853-F883 HydrophobicContact CD2-CZ 4.23Å
854	G	86.6	Confident	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-4	-179.6	0	0	0	0	0	114.5	E831 E852 G856 T857 G862 Y887	E831-G854 PolarHBondContact OE1-N 3.26Å; E852-G854 PolarHBondContact O-N 2.96Å; G854-G856 VanDerWaalsContact C-N 3.26Å; G854-G856 PolarHBondContact O-N 2.92Å; G854-T857 WeakPolarHBondContact O-CG2 3.47Å; G854-G862 WeakPolarHBondContact O-CA 3.38Å; G854-Y887 VanDerWaalsContact C-OH 3.28Å; G854-Y887 PolarHBondContact O-OH 3.32Å; G854-Y887 VanDerWaalsContact O-OH 3.06Å
855	R	86	Confident	91.5	Very high	80 Å²	80	40 Å²	40	30%	0.302	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.6	-176	70.5	173.4	-172.6	-117.7	-19.5	114.4	G816 E831 E852 T857	G816-R855 VanDerWaalsContact O-CZ 3.28Å; G816-R855 PolarHBondContact O-NH1 3.4Å; G816-R855 PolarHBondContact O-NH2 3.47Å; E831-R855 IonicContact OE2-CZ 3.94Å; E831-R855 IonicContact OE2-NE 3.53Å; E831-R855 IonicContact OE2-NH2 2.82Å; E852-R855 HydrophobicContact CB-CB 4.4Å; E852-R855 HydrophobicContact CB-CG 4.38Å; E852-R855 WeakPolarHBondContact O-CB 3.45Å; E852-R855 WeakPolarHBondContact O-CG 3.42Å; E852-R855 PolarHBondContact O-N 3.42Å; E852-R855 VanDerWaalsContact OE2-CD 3.28Å; E852-R855 WeakPolarHBondContact OE2-CD 3.18Å; E852-R855 IonicContact OE2-CZ 2.76Å; E852-R855 IonicContact OE2-NE 2.83Å; E852-R855 IonicContact OE2-NH1 3.29Å; E852-R855 PolarHBondContact OE2-NH1 3.48Å; E852-R855 VanDerWaalsContact OE2-NH1 3.15Å; R855-T857 PolarHBondContact O-N 3.43Å
856	G	83.8	Confident	91.7	Very high	41 Å²	41	34.5 Å²	34.5	42%	0.423	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	10.1	-173	0	0	0	0	0	115.5	G854	G854-G856 VanDerWaalsContact C-N 3.26Å; G854-G856 PolarHBondContact O-N 2.92Å
857	T	89.1	Confident	91.7	Very high	51 Å²	51	37.9 Å²	37.9	31%	0.313	21%	0.211	S	C	.	.	S	Bend	trans	-141.2	-172.6	-174.4	-169.4	0	0	0	0	111.9	F828 G854 R855 D861	F828-T857 HydrophobicContact CD2-CG2 4.42Å; F828-T857 HydrophobicContact CE1-CG2 3.94Å; F828-T857 HydrophobicContact CE2-CG2 3.65Å; F828-T857 HydrophobicContact CZ-CG2 3.36Å; G854-T857 WeakPolarHBondContact O-CG2 3.47Å; R855-T857 PolarHBondContact O-N 3.43Å; T857-D861 HydrophobicContact CG2-CB 3.93Å
858	S	90.3	Very high	91.7	Very high	39 Å²	39	40.6 Å²	40.6	27%	0.273	23%	0.233	S	C	.	.			trans	-58.2	148.1	176.6	99.7	0	0	0	0	111.3	H860 D861 G862	S858-H860 PolarHBondContact O-N 3.04Å; S858-H860 VanDerWaalsContact O-N 3.12Å; S858-H860 PolarHBondContact OG-CE1 3.47Å; S858-H860 PolarHBondContact OG-N 2.98Å; S858-H860 PolarHBondContact OG-ND1 3.1Å; S858-D861 WeakPolarHBondContact CB-OD2 3.49Å; S858-D861 PolarHBondContact O-N 3.37Å; S858-D861 VanDerWaalsContact OG-CG 3.25Å; S858-D861 PolarHBondContact OG-N 2.82Å; S858-D861 PolarHBondContact OG-OD2 2.99Å; S858-G862 PolarHBondContact O-N 3.26Å
859	T	87.8	Confident	91.6	Very high	101 Å²	101	41.4 Å²	41.4	62%	0.62	24%	0.238	S	C	*	.	H	α-helix	trans	-60.9	-26.7	-178.1	-41.1	0	0	0	0	113.2	I863	T859-I863 HydrophobicContact CG2-CD1 4.02Å; T859-I863 WeakPolarHBondContact O-CB 3.27Å; T859-I863 VanDerWaalsContact O-CD1 3.29Å; T859-I863 WeakPolarHBondContact O-CD1 3.33Å; T859-I863 WeakPolarHBondContact O-CG1 3.49Å; T859-I863 PolarHBondContact O-N 2.64Å
860	H	89.2	Confident	91.6	Very high	141 Å²	141	41.4 Å²	41.4	65%	0.653	24%	0.238	S	C	*	.	H	α-helix	trans	-81.5	-39.9	178.6	60.5	-91.1	0	0	0	112.2	S858 A864	S858-H860 PolarHBondContact O-N 3.04Å; S858-H860 VanDerWaalsContact O-N 3.12Å; S858-H860 PolarHBondContact OG-CE1 3.47Å; S858-H860 PolarHBondContact OG-N 2.98Å; S858-H860 PolarHBondContact OG-ND1 3.1Å; H860-A864 VanDerWaalsContact O-CB 3.27Å; H860-A864 WeakPolarHBondContact O-CB 3.39Å; H860-A864 PolarHBondContact O-N 3.23Å
861	D	92.3	Very high	91.7	Very high	68 Å²	68	43.7 Å²	43.7	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-43.3	175	-57.7	-52	0	0	0	111	T857 S858 I863 A864 I865	T857-D861 HydrophobicContact CG2-CB 3.93Å; S858-D861 WeakPolarHBondContact CB-OD2 3.49Å; S858-D861 PolarHBondContact O-N 3.37Å; S858-D861 VanDerWaalsContact OG-CG 3.25Å; S858-D861 PolarHBondContact OG-N 2.82Å; S858-D861 PolarHBondContact OG-OD2 2.99Å; D861-I863 PolarHBondContact O-N 2.89Å; D861-A864 PolarHBondContact O-N 2.83Å; D861-I865 WeakPolarHBondContact O-CB 3.47Å; D861-I865 VanDerWaalsContact O-CG1 3.28Å; D861-I865 WeakPolarHBondContact O-CG1 3.28Å; D861-I865 PolarHBondContact O-N 2.55Å
862	G	91.8	Very high	91.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-46.5	177.2	0	0	0	0	0	112.4	G854 S858 A866	G854-G862 WeakPolarHBondContact O-CA 3.38Å; S858-G862 PolarHBondContact O-N 3.26Å; G862-A866 WeakPolarHBondContact O-CB 3.42Å; G862-A866 PolarHBondContact O-N 3.26Å
863	I	93.3	Very high	92.2	Very high	42 Å²	42	46 Å²	46	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-43.2	173.7	-70.4	170.1	0	0	0	111.3	T859 D861 Y867 Y887 P889 L890	T859-I863 HydrophobicContact CG2-CD1 4.02Å; T859-I863 WeakPolarHBondContact O-CB 3.27Å; T859-I863 VanDerWaalsContact O-CD1 3.29Å; T859-I863 WeakPolarHBondContact O-CD1 3.33Å; T859-I863 WeakPolarHBondContact O-CG1 3.49Å; T859-I863 PolarHBondContact O-N 2.64Å; D861-I863 PolarHBondContact O-N 2.89Å; I863-Y867 WeakPolarHBondContact O-CB 3.19Å; I863-Y867 PolarHBondContact O-N 3.28Å; I863-Y887 HydrophobicContact CD1-CD1 4.13Å; I863-Y887 HydrophobicContact CD1-CG 4.42Å; I863-Y887 HydrophobicContact CG1-CD1 3.56Å; I863-Y887 HydrophobicContact CG1-CD2 3.89Å; I863-Y887 HydrophobicContact CG1-CE1 3.93Å; I863-Y887 HydrophobicContact CG1-CE2 4.23Å; I863-Y887 HydrophobicContact CG1-CG 3.54Å; I863-P889 HydrophobicContact CD1-CG 4.41Å; I863-P889 HydrophobicContact CG2-CB 4.21Å; I863-P889 HydrophobicContact CG2-CG 4.35Å; I863-L890 HydrophobicContact CG2-CD1 4.31Å
864	A	93.9	Very high	92.5	Very high	57 Å²	57	46 Å²	46	47%	0.471	26%	0.256	S	S	.	.	H	α-helix	trans	-65.5	-45.9	-177.6	0	0	0	0	0	112.3	H860 D861 A868	H860-A864 VanDerWaalsContact O-CB 3.27Å; H860-A864 WeakPolarHBondContact O-CB 3.39Å; H860-A864 PolarHBondContact O-N 3.23Å; D861-A864 PolarHBondContact O-N 2.83Å; A864-A868 VanDerWaalsContact O-CB 3.31Å; A864-A868 WeakPolarHBondContact O-CB 3.44Å; A864-A868 PolarHBondContact O-N 3.42Å
865	I	94.5	Very high	92.8	Very high	51 Å²	51	51.7 Å²	51.7	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-52.7	176.1	-67.1	165.1	0	0	0	109.7	F828 L832 D861 Y867 A868 T869	F828-I865 HydrophobicContact CZ-CD1 3.93Å; L832-I865 HydrophobicContact CD2-CG2 4.09Å; D861-I865 WeakPolarHBondContact O-CB 3.47Å; D861-I865 VanDerWaalsContact O-CG1 3.28Å; D861-I865 WeakPolarHBondContact O-CG1 3.28Å; D861-I865 PolarHBondContact O-N 2.55Å; I865-Y867 VanDerWaalsContact C-N 3.32Å; I865-Y867 PolarHBondContact O-N 3.36Å; I865-A868 PolarHBondContact O-N 3.47Å; I865-T869 WeakPolarHBondContact O-CB 3.29Å; I865-T869 PolarHBondContact O-N 3.2Å; I865-T869 PolarHBondContact O-OG1 3.17Å
866	A	94.9	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-39.9	-177.9	0	0	0	0	0	112.6	L853 G862 L870 F883 Y887 L890	L853-A866 WeakPolarHBondContact O-CB 3.41Å; G862-A866 WeakPolarHBondContact O-CB 3.42Å; G862-A866 PolarHBondContact O-N 3.26Å; A866-L870 WeakPolarHBondContact O-CB 3.45Å; A866-L870 PolarHBondContact O-N 2.68Å; A866-F883 HydrophobicContact CB-CE1 4.38Å; A866-F883 HydrophobicContact CB-CZ 3.99Å; A866-Y887 HydrophobicContact CB-CD2 4Å; A866-Y887 HydrophobicContact CB-CE2 4.06Å; A866-L890 HydrophobicContact CB-CD1 4.48Å; A866-L890 HydrophobicContact CB-CD2 3.82Å
867	Y	95.5	Very high	93.8	Very high	72 Å²	72	49.9 Å²	49.9	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-48.8	174.6	-176.5	-77.5	0	0	0	111.6	I863 I865 L870 E871 L890 L893	I863-Y867 WeakPolarHBondContact O-CB 3.19Å; I863-Y867 PolarHBondContact O-N 3.28Å; I865-Y867 VanDerWaalsContact C-N 3.32Å; I865-Y867 PolarHBondContact O-N 3.36Å; Y867-L870 PolarHBondContact O-N 3.13Å; Y867-E871 WeakPolarHBondContact CE1-OE2 3.17Å; Y867-E871 PolarHBondContact O-N 3.21Å; Y867-L890 HydrophobicContact CD2-CD1 4.38Å; Y867-L893 HydrophobicContact CD2-CD1 4.09Å; Y867-L893 HydrophobicContact CD2-CG 4.25Å; Y867-L893 HydrophobicContact CE1-CD2 4.28Å; Y867-L893 HydrophobicContact CE2-CD1 4.1Å; Y867-L893 HydrophobicContact CE2-CD2 3.76Å; Y867-L893 HydrophobicContact CE2-CG 3.76Å
868	A	95.8	Very high	94	Very high	57 Å²	57	52.3 Å²	52.3	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-42.4	-177.4	0	0	0	0	0	112.4	A864 I865 E871 Y872	A864-A868 VanDerWaalsContact O-CB 3.31Å; A864-A868 WeakPolarHBondContact O-CB 3.44Å; A864-A868 PolarHBondContact O-N 3.42Å; I865-A868 PolarHBondContact O-N 3.47Å; A868-E871 PolarHBondContact O-N 3Å; A868-Y872 WeakPolarHBondContact O-CB 3.28Å; A868-Y872 PolarHBondContact O-N 2.91Å
869	T	96.4	Very high	94.3	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-43.5	174.1	-63.8	0	0	0	0	111.4	I839 L850 L853 I865 Y872 F873	I839-T869 HydrophobicContact CD1-CG2 4.07Å; L850-T869 HydrophobicContact CD1-CG2 4.05Å; L853-T869 HydrophobicContact CD2-CG2 3.73Å; I865-T869 WeakPolarHBondContact O-CB 3.29Å; I865-T869 PolarHBondContact O-N 3.2Å; I865-T869 PolarHBondContact O-OG1 3.17Å; T869-Y872 WeakPolarHBondContact O-CB 3.32Å; T869-Y872 PolarHBondContact O-N 3.26Å; T869-F873 HydrophobicContact CG2-CD2 3.88Å; T869-F873 HydrophobicContact CG2-CE2 3.61Å; T869-F873 WeakPolarHBondContact O-CD2 3.5Å; T869-F873 PolarHBondContact O-N 3.11Å; T869-F873 VanDerWaalsContact O-N 3.1Å
870	L	96.6	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-43.2	177.9	-179.4	52.4	0	0	0	111.9	T767 I769 A866 Y867 Y872 F873 I874 T881 F883 L890 L893	T767-L870 HydrophobicContact CG2-CD1 3.65Å; I769-L870 HydrophobicContact CD1-CD2 3.87Å; I769-L870 HydrophobicContact CG1-CD2 4.05Å; A866-L870 WeakPolarHBondContact O-CB 3.45Å; A866-L870 PolarHBondContact O-N 2.68Å; Y867-L870 PolarHBondContact O-N 3.13Å; L870-Y872 VanDerWaalsContact C-N 3.31Å; L870-Y872 PolarHBondContact O-N 3.45Å; L870-F873 PolarHBondContact O-N 3.18Å; L870-I874 HydrophobicContact CD1-CD1 3.96Å; L870-I874 HydrophobicContact CD1-CG1 4.24Å; L870-I874 HydrophobicContact CG-CD1 3.84Å; L870-I874 VanDerWaalsContact O-CD1 3.29Å; L870-I874 WeakPolarHBondContact O-CD1 3.36Å; L870-I874 WeakPolarHBondContact O-CG1 3.44Å; L870-I874 PolarHBondContact O-N 2.85Å; L870-T881 HydrophobicContact CD1-CG2 4.34Å; L870-F883 HydrophobicContact CB-CD2 4.08Å; L870-F883 HydrophobicContact CB-CE2 3.94Å; L870-F883 HydrophobicContact CB-CZ 4.35Å; L870-F883 HydrophobicContact CD1-CB 3.92Å; L870-F883 HydrophobicContact CD1-CD2 3.73Å; L870-F883 HydrophobicContact CD1-CE2 4.46Å; L870-F883 HydrophobicContact CD1-CG 3.91Å; L870-F883 HydrophobicContact CD2-CB 4.33Å; L870-F883 HydrophobicContact CD2-CD1 4.02Å; L870-F883 HydrophobicContact CD2-CD2 4.25Å; L870-F883 HydrophobicContact CD2-CE1 4.41Å; L870-F883 HydrophobicContact CD2-CG 3.93Å; L870-F883 HydrophobicContact CG-CD2 4.22Å; L870-F883 HydrophobicContact CG-CG 4.36Å; L870-L890 HydrophobicContact CD2-CB 4.35Å; L870-L890 HydrophobicContact CD2-CD2 4.01Å; L870-L890 HydrophobicContact CD2-CG 4.23Å; L870-L893 HydrophobicContact CB-CD1 4.25Å; L870-L893 HydrophobicContact CD2-CD1 3.63Å; L870-L893 HydrophobicContact CG-CD1 3.78Å
871	E	96.2	Very high	95.1	Very high	49 Å²	49	39.2 Å²	39.2	23%	0.229	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-41.3	174	-172.4	178.5	165.4	0	0	111.9	Y867 A868 I874 R875 F897	Y867-E871 WeakPolarHBondContact CE1-OE2 3.17Å; Y867-E871 PolarHBondContact O-N 3.21Å; A868-E871 PolarHBondContact O-N 3Å; E871-I874 PolarHBondContact O-N 3.36Å; E871-R875 WeakPolarHBondContact O-CB 3.36Å; E871-R875 PolarHBondContact O-N 3.19Å; E871-R875 IonicContact OE1-CZ 3.93Å; E871-R875 IonicContact OE1-NH1 3.76Å; E871-R875 PolarHBondContact OE1-NH1 3.32Å; E871-F897 HydrophobicContact CG-CE2 4.1Å; E871-F897 HydrophobicContact CG-CZ 4.17Å
872	Y	96.6	Very high	95.3	Very high	98 Å²	98	36 Å²	36	38%	0.384	18%	0.181	S	C	.	.	H	α-helix	trans	-60.4	-45.1	176.4	-173.7	-99.6	0	0	0	112.3	I839 A868 T869 L870 D876 V877	I839-Y872 HydrophobicContact CG2-CD1 4.3Å; I839-Y872 HydrophobicContact CG2-CE1 3.81Å; A868-Y872 WeakPolarHBondContact O-CB 3.28Å; A868-Y872 PolarHBondContact O-N 2.91Å; T869-Y872 WeakPolarHBondContact O-CB 3.32Å; T869-Y872 PolarHBondContact O-N 3.26Å; L870-Y872 VanDerWaalsContact C-N 3.31Å; L870-Y872 PolarHBondContact O-N 3.45Å; Y872-D876 HydrophobicContact CD2-CB 3.81Å; Y872-D876 WeakPolarHBondContact CD2-OD2 3.43Å; Y872-D876 HydrophobicContact CE2-CB 3.76Å; Y872-D876 HydrophobicContact CG-CB 4.36Å; Y872-D876 WeakPolarHBondContact O-CA 3.32Å; Y872-D876 WeakPolarHBondContact O-CB 3.28Å; Y872-D876 PolarHBondContact O-N 2.99Å; Y872-V877 HydrophobicContact CD1-CG2 3.59Å; Y872-V877 HydrophobicContact CE1-CG2 3.29Å; Y872-V877 PolarHBondContact O-N 2.99Å; Y872-V877 VanDerWaalsContact O-N 3.1Å
873	F	95.9	Very high	95.5	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.181	C	C	.	.	I	π-helix	trans	-65.6	-37.5	174.8	-77	-65.7	0	0	0	113	I838 I839 A842 V848 L850 T869 L870 V877 K878 S879 T881	I838-F873 HydrophobicContact CG2-CZ 3.98Å; I839-F873 HydrophobicContact CG1-CE2 3.87Å; I839-F873 HydrophobicContact CG1-CZ 3.66Å; A842-F873 HydrophobicContact CB-CE1 4.17Å; V848-F873 HydrophobicContact CG1-CD1 4.46Å; V848-F873 HydrophobicContact CG1-CE1 4.17Å; V848-F873 HydrophobicContact CG1-CE2 4.31Å; V848-F873 HydrophobicContact CG1-CZ 4.1Å; V848-F873 HydrophobicContact CG2-CD1 4.31Å; V848-F873 HydrophobicContact CG2-CE1 3.97Å; L850-F873 HydrophobicContact CD1-CD2 4.07Å; L850-F873 HydrophobicContact CD1-CE2 3.78Å; T869-F873 HydrophobicContact CG2-CD2 3.88Å; T869-F873 HydrophobicContact CG2-CE2 3.61Å; T869-F873 WeakPolarHBondContact O-CD2 3.5Å; T869-F873 PolarHBondContact O-N 3.11Å; T869-F873 VanDerWaalsContact O-N 3.1Å; L870-F873 PolarHBondContact O-N 3.18Å; F873-V877 HydrophobicContact CD1-CB 3.85Å; F873-V877 HydrophobicContact CD1-CG1 4.11Å; F873-V877 HydrophobicContact CD1-CG2 3.77Å; F873-V877 HydrophobicContact CE1-CB 4.38Å; F873-V877 HydrophobicContact CE1-CG1 4.32Å; F873-V877 HydrophobicContact CE1-CG2 4Å; F873-K878 VanDerWaalsContact O-CA 3.28Å; F873-K878 WeakPolarHBondContact O-CA 3.29Å; F873-K878 PolarHBondContact O-N 2.85Å; F873-S879 WeakPolarHBondContact CD1-OG 3.28Å; F873-T881 HydrophobicContact CB-CG2 4.48Å
874	I	95.2	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-66.1	-47.2	178.7	-67.1	157.2	0	0	0	112	R766 T767 L870 E871 L893 F897 H900 V901	R766-I874 PolarHBondContact NH2-O 3.16Å; R766-I874 VanDerWaalsContact NH2-O 3.14Å; T767-I874 HydrophobicContact CG2-CD1 4.38Å; T767-I874 HydrophobicContact CG2-CG1 3.94Å; L870-I874 HydrophobicContact CD1-CD1 3.96Å; L870-I874 HydrophobicContact CD1-CG1 4.24Å; L870-I874 HydrophobicContact CG-CD1 3.84Å; L870-I874 VanDerWaalsContact O-CD1 3.29Å; L870-I874 WeakPolarHBondContact O-CD1 3.36Å; L870-I874 WeakPolarHBondContact O-CG1 3.44Å; L870-I874 PolarHBondContact O-N 2.85Å; E871-I874 PolarHBondContact O-N 3.36Å; I874-L893 HydrophobicContact CD1-CB 4.43Å; I874-L893 HydrophobicContact CD1-CD1 4.26Å; I874-F897 HydrophobicContact CD1-CD2 4.34Å; I874-F897 HydrophobicContact CG2-CB 4.01Å; I874-F897 HydrophobicContact CG2-CD1 4.08Å; I874-F897 HydrophobicContact CG2-CD2 3.88Å; I874-F897 HydrophobicContact CG2-CE2 4.36Å; I874-F897 HydrophobicContact CG2-CG 3.72Å; I874-H900 HydrophobicContact CG2-CB 4.45Å; I874-V901 HydrophobicContact CB-CG2 4.46Å; I874-V901 HydrophobicContact CD1-CG2 3.35Å; I874-V901 HydrophobicContact CG1-CG2 3.64Å; I874-V901 HydrophobicContact CG2-CG2 3.92Å
875	R	93.8	Very high	95.5	Very high	121 Å²	121	31.3 Å²	31.3	46%	0.457	15%	0.149	S	C	.	.	I	π-helix	trans	-95.1	-45.9	-167.6	-171.7	-173.7	71	-141.2	-1.6	113.4	E871 K878	E871-R875 WeakPolarHBondContact O-CB 3.36Å; E871-R875 PolarHBondContact O-N 3.19Å; E871-R875 IonicContact OE1-CZ 3.93Å; E871-R875 IonicContact OE1-NH1 3.76Å; E871-R875 PolarHBondContact OE1-NH1 3.32Å; R875-K878 WeakPolarHBondContact O-CE 3.45Å; R875-K878 WeakPolarHBondContact O-CG 3.42Å
876	D	94.9	Very high	95.2	Very high	65 Å²	65	32 Å²	32	35%	0.348	15%	0.151	S	C	.	.	I	π-helix	trans	-99.9	-53	-164.4	-53.9	-46.2	0	0	0	111.1	Y872	Y872-D876 HydrophobicContact CD2-CB 3.81Å; Y872-D876 WeakPolarHBondContact CD2-OD2 3.43Å; Y872-D876 HydrophobicContact CE2-CB 3.76Å; Y872-D876 HydrophobicContact CG-CB 4.36Å; Y872-D876 WeakPolarHBondContact O-CA 3.32Å; Y872-D876 WeakPolarHBondContact O-CB 3.28Å; Y872-D876 PolarHBondContact O-N 2.99Å
877	V	95	Very high	94.9	Very high	18 Å²	18	33.5 Å²	33.5	11%	0.109	16%	0.157	C	C	.	.	I	π-helix	trans	-76.3	-41.3	177.4	-170	0	0	0	0	112.3	A842 E844 Y872 F873 S879	A842-V877 HydrophobicContact CB-CG1 4.36Å; E844-V877 WeakPolarHBondContact CA-O 3.28Å; Y872-V877 HydrophobicContact CD1-CG2 3.59Å; Y872-V877 HydrophobicContact CE1-CG2 3.29Å; Y872-V877 PolarHBondContact O-N 2.99Å; Y872-V877 VanDerWaalsContact O-N 3.1Å; F873-V877 HydrophobicContact CD1-CB 3.85Å; F873-V877 HydrophobicContact CD1-CG1 4.11Å; F873-V877 HydrophobicContact CD1-CG2 3.77Å; F873-V877 HydrophobicContact CE1-CB 4.38Å; F873-V877 HydrophobicContact CE1-CG1 4.32Å; F873-V877 HydrophobicContact CE1-CG2 4Å; V877-S879 PolarHBondContact O-N 3.12Å
878	K	95.1	Very high	94.5	Very high	102 Å²	102	34.3 Å²	34.3	44%	0.443	17%	0.171	S	C	.	.			trans	60.9	21.8	-179.6	-51.9	167.7	-167.9	165.8	0	114.8	R766 F873 R875	R766-K878 VanDerWaalsContact CD-O 3.22Å; R766-K878 WeakPolarHBondContact CD-O 3.42Å; R766-K878 PolarHBondContact NE-O 2.96Å; F873-K878 VanDerWaalsContact O-CA 3.28Å; F873-K878 WeakPolarHBondContact O-CA 3.29Å; F873-K878 PolarHBondContact O-N 2.85Å; R875-K878 WeakPolarHBondContact O-CE 3.45Å; R875-K878 WeakPolarHBondContact O-CG 3.42Å
879	S	95.2	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.			trans	-62.9	166.9	174.3	58.2	0	0	0	0	113	T843 S846 F873 V877 T881	T843-S879 VanDerWaalsContact O-CB 3.27Å; T843-S879 WeakPolarHBondContact O-CB 3.45Å; S846-S879 WeakPolarHBondContact O-CB 3.12Å; F873-S879 WeakPolarHBondContact CD1-OG 3.28Å; V877-S879 PolarHBondContact O-N 3.12Å; S879-T881 PolarHBondContact O-N 2.56Å; S879-T881 PolarHBondContact O-OG1 2.86Å; S879-T881 PolarHBondContact OG-OG1 2.94Å
880	F	97	Very high	94	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.022	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.9	161.9	-67.4	-50.2	0	0	0	109.3	H731 I733 L760 R766 L808 S846 L847 V848	H731-F880 HydrophobicContact CB-CZ 4.38Å; I733-F880 HydrophobicContact CD1-CB 4.29Å; I733-F880 HydrophobicContact CD1-CD2 3.79Å; I733-F880 HydrophobicContact CD1-CE2 4.41Å; I733-F880 HydrophobicContact CD1-CG 4.12Å; I733-F880 HydrophobicContact CG1-CD2 4.09Å; I733-F880 HydrophobicContact CG1-CE2 4.21Å; L760-F880 HydrophobicContact CB-CD1 3.63Å; L760-F880 HydrophobicContact CB-CE1 3.91Å; L760-F880 HydrophobicContact CB-CG 4.37Å; L760-F880 HydrophobicContact CD1-CB 4.09Å; L760-F880 HydrophobicContact CD1-CD1 4.31Å; L760-F880 HydrophobicContact CD1-CG 4.39Å; R766-F880 HydrophobicContact CB-CD1 4.31Å; R766-F880 HydrophobicContact CG-CD1 4.46Å; R766-F880 HydrophobicContact CG-CE1 4.32Å; R766-F880 WeakPolarHBondContact O-CA 3.37Å; L808-F880 HydrophobicContact CD2-CD2 3.92Å; L808-F880 HydrophobicContact CD2-CE2 4.24Å; S846-F880 PolarHBondContact O-N 2.86Å; L847-F880 HydrophobicContact CD1-CB 3.97Å; V848-F880 PolarHBondContact N-O 3.05Å
881	T	97.2	Very high	93.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	120	-172.7	-55.6	0	0	0	0	111.7	R766 T767 M768 V848 L870 F873 S879 F883	R766-T881 PolarHBondContact O-N 2.88Å; T767-T881 CarbonylContact C-O 3.51Å; T767-T881 WeakPolarHBondContact CA-O 3.33Å; T767-T881 HydrophobicContact CG2-CG2 4.23Å; M768-T881 PolarHBondContact N-O 2.75Å; V848-T881 CarbonylContact O-C 3.49Å; V848-T881 WeakPolarHBondContact O-CA 3.3Å; L870-T881 HydrophobicContact CD1-CG2 4.34Å; F873-T881 HydrophobicContact CB-CG2 4.48Å; S879-T881 PolarHBondContact O-N 2.56Å; S879-T881 PolarHBondContact O-OG1 2.86Å; S879-T881 PolarHBondContact OG-OG1 2.94Å; T881-F883 HydrophobicContact CG2-CB 4.33Å
882	L	97.2	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.4	163.2	-55	-176.8	0	0	0	108.1	L760 M768 I782 V785 L847 V848 I849 L850	L760-L882 HydrophobicContact CD1-CD2 4.05Å; M768-L882 HydrophobicContact CB-CD2 3.74Å; M768-L882 HydrophobicContact CG-CD2 4.39Å; M768-L882 HydrophobicContact SD-CD2 4Å; I782-L882 HydrophobicContact CB-CD1 4.23Å; I782-L882 HydrophobicContact CG2-CB 4.46Å; I782-L882 HydrophobicContact CG2-CD1 4.12Å; V785-L882 HydrophobicContact CB-CD1 4.04Å; V785-L882 HydrophobicContact CG1-CD1 4.12Å; V785-L882 HydrophobicContact CG2-CD1 4.31Å; L847-L882 HydrophobicContact CD1-CG 4.4Å; V848-L882 PolarHBondContact O-N 2.54Å; I849-L882 WeakPolarHBondContact CA-O 3.34Å; I849-L882 HydrophobicContact CD1-CD1 4.07Å; I849-L882 HydrophobicContact CG1-CB 4.24Å; I849-L882 HydrophobicContact CG1-CD1 4.19Å; I849-L882 HydrophobicContact CG1-CG 4.41Å; I849-L882 HydrophobicContact CG2-CB 4.46Å; L850-L882 PolarHBondContact N-O 3.49Å
883	F	96.2	Very high	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.8	-178	-158.9	-76.6	0	0	0	109.9	M768 I769 I770 L850 L853 A866 L870 T881 T885 L890	M768-F883 PolarHBondContact O-N 3.02Å; I769-F883 CarbonylContact C-O 3.6Å; I769-F883 WeakPolarHBondContact CA-O 3.3Å; I770-F883 PolarHBondContact N-O 3.36Å; L850-F883 HydrophobicContact CB-CD2 3.85Å; L850-F883 HydrophobicContact CB-CE2 3.95Å; L850-F883 HydrophobicContact CD1-CD2 3.83Å; L850-F883 HydrophobicContact CD1-CE2 3.66Å; L850-F883 HydrophobicContact CG-CD2 4.41Å; L850-F883 HydrophobicContact CG-CE2 4.45Å; L853-F883 HydrophobicContact CB-CZ 4.15Å; L853-F883 HydrophobicContact CD2-CE2 4.27Å; L853-F883 HydrophobicContact CD2-CZ 4.23Å; A866-F883 HydrophobicContact CB-CE1 4.38Å; A866-F883 HydrophobicContact CB-CZ 3.99Å; L870-F883 HydrophobicContact CB-CD2 4.08Å; L870-F883 HydrophobicContact CB-CE2 3.94Å; L870-F883 HydrophobicContact CB-CZ 4.35Å; L870-F883 HydrophobicContact CD1-CB 3.92Å; L870-F883 HydrophobicContact CD1-CD2 3.73Å; L870-F883 HydrophobicContact CD1-CE2 4.46Å; L870-F883 HydrophobicContact CD1-CG 3.91Å; L870-F883 HydrophobicContact CD2-CB 4.33Å; L870-F883 HydrophobicContact CD2-CD1 4.02Å; L870-F883 HydrophobicContact CD2-CD2 4.25Å; L870-F883 HydrophobicContact CD2-CE1 4.41Å; L870-F883 HydrophobicContact CD2-CG 3.93Å; L870-F883 HydrophobicContact CG-CD2 4.22Å; L870-F883 HydrophobicContact CG-CG 4.36Å; T881-F883 HydrophobicContact CG2-CB 4.33Å; F883-T885 HydrophobicContact CD1-CG2 4.39Å; F883-L890 HydrophobicContact CD1-CD2 4.08Å; F883-L890 HydrophobicContact CE1-CD2 3.43Å; F883-L890 VanDerWaalsContact CE1-CD2 3.43Å; F883-L890 HydrophobicContact CZ-CD2 4.04Å
884	V	94.2	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.8	179.3	-172.3	0	0	0	0	109.3	I770 K778 I782 L850 D851 E852	I770-V884 HydrophobicContact CB-CG2 4.19Å; I770-V884 HydrophobicContact CD1-CG2 4.36Å; I770-V884 WeakPolarHBondContact O-CA 3.4Å; K778-V884 HydrophobicContact CD-CG1 3.71Å; I782-V884 HydrophobicContact CD1-CG2 3.95Å; I782-V884 HydrophobicContact CG2-CG2 3.83Å; L850-V884 PolarHBondContact O-N 2.89Å; D851-V884 VanDerWaalsContact OD1-CB 3.27Å; D851-V884 WeakPolarHBondContact OD1-CB 3.26Å; D851-V884 VanDerWaalsContact OD1-CG1 3.31Å; D851-V884 WeakPolarHBondContact OD1-CG1 3.25Å; E852-V884 PolarHBondContact N-O 2.92Å
885	T	91.9	Very high	92.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.186	C	C	.	.			trans	-149.1	153.3	-175.7	-167.3	0	0	0	0	114.4	I769 I770 T771 F883 Y887 L890	I769-T885 HydrophobicContact CG2-CG2 4.04Å; I770-T885 PolarHBondContact O-N 2.95Å; T771-T885 HydrophobicContact CG2-CG2 4.37Å; F883-T885 HydrophobicContact CD1-CG2 4.39Å; T885-Y887 PolarHBondContact OG1-N 2.69Å; T885-Y887 VanDerWaalsContact OG1-N 3.13Å; T885-L890 HydrophobicContact CG2-CB 4.25Å; T885-L890 HydrophobicContact CG2-CD2 4.13Å
886	H	88.1	Confident	92.8	Very high	65 Å²	65	36.4 Å²	36.4	30%	0.301	19%	0.187	S	C	.	.	S	Bend	trans	-101.9	7.1	170.4	-67.5	-90.7	0	0	0	112.5	G772 N774 K778 E852 P888 Y942	G772-H886 PolarHBondContact O-CE1 2.75Å; G772-H886 VanDerWaalsContact O-CE1 3.25Å; N774-H886 PolarHBondContact OD1-CE1 3.32Å; N774-H886 PolarHBondContact OD1-NE2 2.8Å; K778-H886 PolarHBondContact NZ-NE2 3.23Å; E852-H886 IonicContact OE1-CD2 3.15Å; E852-H886 IonicContact OE1-NE2 2.67Å; H886-P888 WeakPolarHBondContact O-CD 3.37Å; H886-Y942 PolarHBondContact ND1-OH 2.84Å
887	Y	89.9	Confident	92.7	Very high	33 Å²	33	35.4 Å²	35.4	13%	0.129	18%	0.18	C	C	.	.			trans	-99.9	105.9	-176	-60.7	-37.2	0	0	0	112.7	G854 I863 A866 T885 P889 L890	G854-Y887 VanDerWaalsContact C-OH 3.28Å; G854-Y887 PolarHBondContact O-OH 3.32Å; G854-Y887 VanDerWaalsContact O-OH 3.06Å; I863-Y887 HydrophobicContact CD1-CD1 4.13Å; I863-Y887 HydrophobicContact CD1-CG 4.42Å; I863-Y887 HydrophobicContact CG1-CD1 3.56Å; I863-Y887 HydrophobicContact CG1-CD2 3.89Å; I863-Y887 HydrophobicContact CG1-CE1 3.93Å; I863-Y887 HydrophobicContact CG1-CE2 4.23Å; I863-Y887 HydrophobicContact CG1-CG 3.54Å; A866-Y887 HydrophobicContact CB-CD2 4Å; A866-Y887 HydrophobicContact CB-CE2 4.06Å; T885-Y887 PolarHBondContact OG1-N 2.69Å; T885-Y887 VanDerWaalsContact OG1-N 3.13Å; Y887-P889 VanDerWaalsContact C-CD 3.41Å; Y887-L890 HydrophobicContact CD2-CD1 4.45Å; Y887-L890 PolarHBondContact O-N 3.43Å
888	P	86.6	Confident	92.6	Very high	89 Å²	89	38.3 Å²	38.3	58%	0.578	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-56.2	-35.2	179.1	-24.5	34.3	0	0	0	115.6	H886 L890 C891	H886-P888 WeakPolarHBondContact O-CD 3.37Å; P888-L890 PolarHBondContact O-N 3.06Å; P888-L890 VanDerWaalsContact O-N 3.14Å; P888-C891 WeakPolarHBondContact O-CB 3.47Å; P888-C891 PolarHBondContact O-N 2.89Å
889	P	88.8	Confident	92.4	Very high	21 Å²	21	40.4 Å²	40.4	14%	0.136	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.5	178.7	-28.6	37.8	0	0	0	115.3	I863 Y887 C891 E892	I863-P889 HydrophobicContact CD1-CG 4.41Å; I863-P889 HydrophobicContact CG2-CB 4.21Å; I863-P889 HydrophobicContact CG2-CG 4.35Å; Y887-P889 VanDerWaalsContact C-CD 3.41Å; P889-C891 VanDerWaalsContact C-N 3.31Å; P889-E892 WeakPolarHBondContact O-CB 3.37Å; P889-E892 PolarHBondContact O-N 3.14Å
890	L	91.5	Very high	92.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-71.4	-28.6	176	-87.1	61.9	0	0	0	111.7	I769 I863 A866 Y867 L870 F883 T885 Y887 P888 E892 L893	I769-L890 WeakPolarHBondContact CD1-O 3.49Å; I863-L890 HydrophobicContact CG2-CD1 4.31Å; A866-L890 HydrophobicContact CB-CD1 4.48Å; A866-L890 HydrophobicContact CB-CD2 3.82Å; Y867-L890 HydrophobicContact CD2-CD1 4.38Å; L870-L890 HydrophobicContact CD2-CB 4.35Å; L870-L890 HydrophobicContact CD2-CD2 4.01Å; L870-L890 HydrophobicContact CD2-CG 4.23Å; F883-L890 HydrophobicContact CD1-CD2 4.08Å; F883-L890 HydrophobicContact CE1-CD2 3.43Å; F883-L890 VanDerWaalsContact CE1-CD2 3.43Å; F883-L890 HydrophobicContact CZ-CD2 4.04Å; T885-L890 HydrophobicContact CG2-CB 4.25Å; T885-L890 HydrophobicContact CG2-CD2 4.13Å; Y887-L890 HydrophobicContact CD2-CD1 4.45Å; Y887-L890 PolarHBondContact O-N 3.43Å; P888-L890 PolarHBondContact O-N 3.06Å; P888-L890 VanDerWaalsContact O-N 3.14Å; L890-E892 PolarHBondContact O-N 2.95Å; L890-E892 VanDerWaalsContact O-N 3.16Å; L890-L893 VanDerWaalsContact O-CB 3.31Å; L890-L893 WeakPolarHBondContact O-CB 3.48Å; L890-L893 PolarHBondContact O-N 2.86Å
891	C	91.3	Very high	92.3	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.135	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-64.5	-20.6	178.3	-60.5	0	0	0	0	112.6	P888 P889 L893 E894 N903 A937	P888-C891 WeakPolarHBondContact O-CB 3.47Å; P888-C891 PolarHBondContact O-N 2.89Å; P889-C891 VanDerWaalsContact C-N 3.31Å; C891-L893 PolarHBondContact O-N 2.87Å; C891-E894 PolarHBondContact O-N 2.93Å; C891-N903 VanDerWaalsContact CA-OD1 3.26Å; C891-N903 WeakPolarHBondContact CA-OD1 3.2Å; C891-N903 VanDerWaalsContact CB-OD1 3.3Å; C891-N903 WeakPolarHBondContact CB-OD1 3.47Å; C891-N903 PolarHBondContact O-ND2 2.8Å; C891-N903 PolarHBondContact SG-OD1 2.87Å; C891-A937 HydrophobicContact CB-CB 4.2Å
892	E	89.6	Confident	92.2	Very high	59 Å²	59	42.7 Å²	42.7	28%	0.276	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63.4	-20.7	174.2	-62.2	173.2	-150.3	0	0	112.5	P889 L890 E894 Q895 V896 R975	P889-E892 WeakPolarHBondContact O-CB 3.37Å; P889-E892 PolarHBondContact O-N 3.14Å; L890-E892 PolarHBondContact O-N 2.95Å; L890-E892 VanDerWaalsContact O-N 3.16Å; E892-E894 PolarHBondContact O-N 3.02Å; E892-Q895 WeakPolarHBondContact O-CB 3.37Å; E892-Q895 PolarHBondContact O-N 3.46Å; E892-V896 PolarHBondContact O-N 2.92Å; E892-R975 IonicContact OE1-CZ 3.64Å; E892-R975 VanDerWaalsContact OE1-CZ 3.22Å; E892-R975 IonicContact OE1-NH1 2.71Å; E892-R975 PolarHBondContact OE1-NH1 3.19Å; E892-R975 IonicContact OE1-NH2 3.71Å; E892-R975 PolarHBondContact OE1-NH2 2.82Å; E892-R975 IonicContact OE2-CZ 2.69Å; E892-R975 IonicContact OE2-NH1 3.56Å; E892-R975 IonicContact OE2-NH2 3.22Å; E892-R975 PolarHBondContact OE2-NH2 2.83Å
893	L	93.1	Very high	92.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-21.9	177.8	-72.3	164.3	0	0	0	113.5	I769 Y867 L870 I874 L890 C891 Q895 V896 F897 V901	I769-L893 HydrophobicContact CD1-CB 4.29Å; Y867-L893 HydrophobicContact CD2-CD1 4.09Å; Y867-L893 HydrophobicContact CD2-CG 4.25Å; Y867-L893 HydrophobicContact CE1-CD2 4.28Å; Y867-L893 HydrophobicContact CE2-CD1 4.1Å; Y867-L893 HydrophobicContact CE2-CD2 3.76Å; Y867-L893 HydrophobicContact CE2-CG 3.76Å; L870-L893 HydrophobicContact CB-CD1 4.25Å; L870-L893 HydrophobicContact CD2-CD1 3.63Å; L870-L893 HydrophobicContact CG-CD1 3.78Å; I874-L893 HydrophobicContact CD1-CB 4.43Å; I874-L893 HydrophobicContact CD1-CD1 4.26Å; L890-L893 VanDerWaalsContact O-CB 3.31Å; L890-L893 WeakPolarHBondContact O-CB 3.48Å; L890-L893 PolarHBondContact O-N 2.86Å; C891-L893 PolarHBondContact O-N 2.87Å; L893-Q895 VanDerWaalsContact C-N 3.26Å; L893-Q895 PolarHBondContact O-N 3.46Å; L893-V896 PolarHBondContact O-N 2.77Å; L893-F897 HydrophobicContact CD2-CD2 4.01Å; L893-F897 HydrophobicContact CD2-CE2 3.83Å; L893-F897 PolarHBondContact O-N 3.33Å; L893-V901 HydrophobicContact CB-CG1 4.36Å
894	E	94.6	Very high	92.1	Very high	42 Å²	42	45 Å²	45	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-28.7	169.2	178.4	162.1	-143.7	0	0	112.2	K765 C891 E892 P898 V901 S902 N903	K765-E894 IonicContact NZ-OE1 2.84Å; K765-E894 PolarHBondContact NZ-OE1 2.76Å; C891-E894 PolarHBondContact O-N 2.93Å; E892-E894 PolarHBondContact O-N 3.02Å; E894-P898 WeakPolarHBondContact O-CA 3.14Å; E894-P898 WeakPolarHBondContact O-CB 3.18Å; E894-V901 HydrophobicContact CB-CG1 4.14Å; E894-S902 WeakPolarHBondContact OE1-CA 3.44Å; E894-N903 WeakPolarHBondContact CB-ND2 3.18Å; E894-N903 WeakPolarHBondContact OE2-CB 3.31Å; E894-N903 PolarHBondContact OE2-N 3.48Å; E894-N903 PolarHBondContact OE2-ND2 3.18Å
895	Q	90.2	Very high	92	Very high	166 Å²	166	46.6 Å²	46.6	78%	0.776	24%	0.24	S	C	*	.	H	α-helix	trans	-78.1	-28.4	175.7	-56.2	-178.4	3.4	0	0	112	E892 L893	E892-Q895 WeakPolarHBondContact O-CB 3.37Å; E892-Q895 PolarHBondContact O-N 3.46Å; L893-Q895 VanDerWaalsContact C-N 3.26Å; L893-Q895 PolarHBondContact O-N 3.46Å
896	V	91.4	Very high	91.8	Very high	79 Å²	79	46.7 Å²	46.7	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-80.9	-40.4	177.8	-174.6	0	0	0	0	111.3	E892 L893 P898	E892-V896 PolarHBondContact O-N 2.92Å; L893-V896 PolarHBondContact O-N 2.77Å; V896-P898 WeakPolarHBondContact O-CD 3.48Å
897	F	93.4	Very high	91.7	Very high	43 Å²	43	44.1 Å²	44.1	19%	0.189	23%	0.23	C	C	.	.	S	Bend	trans	-123.3	57.6	-176.5	-57.2	-73.7	0	0	0	112.2	E871 I874 L893 Q899 H900 V901	E871-F897 HydrophobicContact CG-CE2 4.1Å; E871-F897 HydrophobicContact CG-CZ 4.17Å; I874-F897 HydrophobicContact CD1-CD2 4.34Å; I874-F897 HydrophobicContact CG2-CB 4.01Å; I874-F897 HydrophobicContact CG2-CD1 4.08Å; I874-F897 HydrophobicContact CG2-CD2 3.88Å; I874-F897 HydrophobicContact CG2-CE2 4.36Å; I874-F897 HydrophobicContact CG2-CG 3.72Å; L893-F897 HydrophobicContact CD2-CD2 4.01Å; L893-F897 HydrophobicContact CD2-CE2 3.83Å; L893-F897 PolarHBondContact O-N 3.33Å; F897-Q899 PolarHBondContact O-N 3.19Å; F897-H900 PolarHBondContact O-N 3.05Å; F897-V901 HydrophobicContact CB-CB 4.38Å; F897-V901 HydrophobicContact CB-CG2 3.77Å; F897-V901 PolarHBondContact O-N 3.49Å
898	P	92	Very high	91.2	Very high	79 Å²	79	44.7 Å²	44.7	51%	0.513	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.8	-170	26.5	-36.3	0	0	0	114.6	K765 E894 V896	K765-P898 WeakPolarHBondContact CE-O 3.37Å; K765-P898 PolarHBondContact NZ-O 2.77Å; E894-P898 WeakPolarHBondContact O-CA 3.14Å; E894-P898 WeakPolarHBondContact O-CB 3.18Å; V896-P898 WeakPolarHBondContact O-CD 3.48Å
899	Q	91.9	Very high	90.7	Very high	146 Å²	146	44.8 Å²	44.8	68%	0.682	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-24.2	172.9	-67.7	-179.3	-9.9	0	0	113.3	S764 K765 F897	S764-Q899 CarbonylContact C-O 3.5Å; K765-Q899 PolarHBondContact N-O 3.11Å; F897-Q899 PolarHBondContact O-N 3.19Å
900	H	93.3	Very high	89.8	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.218	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-28.3	-167.8	-59.6	-30	0	0	0	115	S764 K765 R766 T767 I874 F897	S764-H900 PolarHBondContact O-ND1 2.93Å; S764-H900 VanDerWaalsContact O-ND1 3.14Å; K765-H900 CarbonylContact C-O 3.59Å; K765-H900 WeakPolarHBondContact CA-O 3.32Å; R766-H900 PolarHBondContact N-O 2.93Å; R766-H900 PolarHBondContact NH1-CE1 2.99Å; R766-H900 PolarHBondContact NH1-ND1 3.43Å; R766-H900 VanDerWaalsContact NH1-ND1 3.17Å; R766-H900 PolarHBondContact NH2-CD2 2.92Å; T767-H900 PolarHBondContact N-O 2.85Å; I874-H900 HydrophobicContact CG2-CB 4.45Å; F897-H900 PolarHBondContact O-N 3.05Å
901	V	95.9	Very high	88.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139	-176.7	178	0	0	0	0	110.2	K765 T767 I769 I874 L893 E894 F897	K765-V901 WeakPolarHBondContact CD-O 3.39Å; K765-V901 PolarHBondContact NZ-O 3.06Å; T767-V901 HydrophobicContact CG2-CG2 4.38Å; T767-V901 CarbonylContact O-C 3.55Å; T767-V901 WeakPolarHBondContact O-CA 3.46Å; I769-V901 HydrophobicContact CD1-CG1 3.48Å; I769-V901 VanDerWaalsContact CD1-CG1 3.48Å; I769-V901 HydrophobicContact CG1-CG1 3.95Å; I874-V901 HydrophobicContact CB-CG2 4.46Å; I874-V901 HydrophobicContact CD1-CG2 3.35Å; I874-V901 HydrophobicContact CG1-CG2 3.64Å; I874-V901 HydrophobicContact CG2-CG2 3.92Å; L893-V901 HydrophobicContact CB-CG1 4.36Å; E894-V901 HydrophobicContact CB-CG1 4.14Å; F897-V901 HydrophobicContact CB-CB 4.38Å; F897-V901 HydrophobicContact CB-CG2 3.77Å; F897-V901 PolarHBondContact O-N 3.49Å
902	S	95.4	Very high	86.5	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.4	170.8	31.5	0	0	0	0	112.8	T767 I769 E894	T767-S902 PolarHBondContact O-N 2.83Å; I769-S902 PolarHBondContact N-O 3.26Å; E894-S902 WeakPolarHBondContact OE1-CA 3.44Å
903	N	95.5	Very high	84.5	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.2	174.9	-67.1	-67.4	0	0	0	112.1	I769 C891 E894 G936 A937	I769-N903 CarbonylContact O-C 3.57Å; I769-N903 WeakPolarHBondContact O-CA 3.45Å; C891-N903 VanDerWaalsContact CA-OD1 3.26Å; C891-N903 WeakPolarHBondContact CA-OD1 3.2Å; C891-N903 VanDerWaalsContact CB-OD1 3.3Å; C891-N903 WeakPolarHBondContact CB-OD1 3.47Å; C891-N903 PolarHBondContact O-ND2 2.8Å; C891-N903 PolarHBondContact SG-OD1 2.87Å; E894-N903 WeakPolarHBondContact CB-ND2 3.18Å; E894-N903 WeakPolarHBondContact OE2-CB 3.31Å; E894-N903 PolarHBondContact OE2-N 3.48Å; E894-N903 PolarHBondContact OE2-ND2 3.18Å; N903-G936 PolarHBondContact O-N 3.35Å; N903-A937 HydrophobicContact CB-CB 4.25Å
904	F	94.9	Very high	82.1	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.2	173.4	-69.7	-101.5	0	0	0	110.9	M768 I769 I770 T771 L933 T934 K935 G936	M768-F904 HydrophobicContact CE-CD2 4.26Å; M768-F904 HydrophobicContact CE-CE2 3.92Å; M768-F904 HydrophobicContact CE-CZ 4.15Å; M768-F904 HydrophobicContact CG-CB 4.48Å; M768-F904 HydrophobicContact CG-CD2 3.49Å; M768-F904 VanDerWaalsContact CG-CD2 3.49Å; M768-F904 HydrophobicContact CG-CE2 3.93Å; M768-F904 HydrophobicContact CG-CG 4.19Å; M768-F904 HydrophobicContact SD-CD2 4.17Å; M768-F904 HydrophobicContact SD-CE2 4.43Å; M768-F904 HydrophobicContact SD-CG 4.47Å; I769-F904 PolarHBondContact O-N 2.71Å; I770-F904 WeakPolarHBondContact CA-O 3.16Å; T771-F904 PolarHBondContact N-O 2.99Å; T771-F904 PolarHBondContact OG1-O 3.46Å; F904-L933 HydrophobicContact CB-CD1 3.86Å; F904-L933 HydrophobicContact CB-CD2 4.25Å; F904-L933 HydrophobicContact CB-CG 4.05Å; F904-L933 HydrophobicContact CD1-CD2 3.72Å; F904-L933 HydrophobicContact CD1-CG 3.85Å; F904-L933 HydrophobicContact CE1-CD2 4.27Å; F904-L933 HydrophobicContact CG-CD2 4.12Å; F904-L933 HydrophobicContact CG-CG 4.29Å; F904-T934 CarbonylContact C-O 3.47Å; F904-T934 VanDerWaalsContact CA-O 3.28Å; F904-T934 WeakPolarHBondContact CA-O 3.31Å; F904-K935 HydrophobicContact CD1-CB 4.16Å; F904-K935 HydrophobicContact CE1-CB 4.03Å; F904-K935 HydrophobicContact CE1-CG 4.3Å; F904-K935 HydrophobicContact CZ-CG 4.45Å; F904-G936 CarbonylContact C-O 3.53Å; F904-G936 WeakPolarHBondContact CA-O 3.29Å; F904-G936 PolarHBondContact N-O 2.87Å
905	H	92	Very high	79.8	Confident	35 Å²	35	69.8 Å²	69.8	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.6	170.8	62.9	-76.3	0	0	0	111.2	T771 T934 G936 A938	T771-H905 WeakPolarHBondContact O-CA 3.21Å; T771-H905 WeakPolarHBondContact O-CB 3.42Å; H905-T934 PolarHBondContact CD2-OG1 3.43Å; H905-T934 PolarHBondContact CE1-OG1 2.62Å; H905-T934 PolarHBondContact N-O 2.92Å; H905-T934 PolarHBondContact ND1-O 2.91Å; H905-T934 PolarHBondContact NE2-OG1 3.04Å; H905-T934 VanDerWaalsContact NE2-OG1 3.14Å; H905-T934 PolarHBondContact O-N 3.13Å; H905-T934 PolarHBondContact O-OG1 3.07Å; H905-G936 PolarHBondContact N-O 3.19Å; H905-G936 PolarHBondContact ND1-O 3.4Å; H905-A938 HydrophobicContact CB-CB 3.71Å
906	M	89.1	Confident	77.5	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.015	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.5	168.3	-58	-57.2	-67	0	0	109.5	T771 G776 K778 Y931 L933	T771-M906 PolarHBondContact O-N 3.05Å; G776-M906 VanDerWaalsContact O-CB 3.27Å; G776-M906 WeakPolarHBondContact O-CB 3.4Å; G776-M906 VanDerWaalsContact O-CE 3.28Å; G776-M906 WeakPolarHBondContact O-CE 3.39Å; G776-M906 VanDerWaalsContact O-CG 3.28Å; G776-M906 WeakPolarHBondContact O-CG 3.38Å; K778-M906 HydrophobicContact CG-CG 3.72Å; M906-Y931 VanDerWaalsContact CE-C 3.47Å; M906-Y931 VanDerWaalsContact CE-O 3.23Å; M906-Y931 WeakPolarHBondContact CE-O 3.45Å; M906-L933 HydrophobicContact SD-CB 4.13Å; M906-L933 HydrophobicContact SD-CD1 3.57Å; M906-L933 VanDerWaalsContact SD-CD1 3.57Å; M906-L933 HydrophobicContact SD-CG 4.48Å
907	A	85.2	Confident	75.1	Confident	11 Å²	11	69.3 Å²	69.3	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	145.3	-177.5	0	0	0	0	0	112.4	L930 Q932 T934	A907-L930 HydrophobicContact CB-CB 4.12Å; A907-L930 HydrophobicContact CB-CD1 4.1Å; A907-L930 PolarHBondContact O-N 2.91Å; A907-Q932 WeakPolarHBondContact CB-O 3.47Å; A907-Q932 PolarHBondContact N-O 3.45Å; A907-T934 HydrophobicContact CB-CG2 3.88Å
908	F	80.1	Confident	72.7	Confident	44 Å²	44	75.7 Å²	75.7	19%	0.193	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.8	171.8	58.4	-87.8	0	0	0	108.5	L910 I927 T928 F929	F908-L910 HydrophobicContact CD2-CD2 3.94Å; F908-L910 HydrophobicContact CD2-CG 4.21Å; F908-L910 HydrophobicContact CE2-CD1 4.42Å; F908-L910 HydrophobicContact CE2-CD2 3.98Å; F908-L910 HydrophobicContact CE2-CG 4.08Å; F908-I927 HydrophobicContact CB-CG2 4.02Å; F908-I927 HydrophobicContact CD2-CG2 4.01Å; F908-I927 HydrophobicContact CG-CG2 4.32Å; F908-T928 CarbonylContact C-O 3.55Å; F908-T928 VanDerWaalsContact CA-O 3.31Å; F908-T928 WeakPolarHBondContact CA-O 3.29Å; F908-F929 HydrophobicContact CB-CD1 4.22Å
909	L	76	Confident	70.3	Confident	92 Å²	92	78.3 Å²	78.3	48%	0.482	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.9	167.2	-61.8	178.4	0	0	0	109.3	I927 T928 L930	L909-I927 WeakPolarHBondContact O-CA 3.45Å; L909-T928 PolarHBondContact N-O 3.05Å; L909-T928 PolarHBondContact O-N 2.87Å; L909-L930 HydrophobicContact CD1-CD1 4.44Å; L909-L930 HydrophobicContact CD1-CD2 3.97Å; L909-L930 HydrophobicContact CD2-CD1 4.07Å; L909-L930 HydrophobicContact CG-CD1 3.88Å; L909-L930 HydrophobicContact CG-CD2 3.99Å; L909-L930 HydrophobicContact CG-CG 4.04Å
910	L	70	Confident	68.1	Low	80 Å²	80	75.2 Å²	75.2	42%	0.419	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.3	160.8	-58.3	179.8	0	0	0	106	F908 I927 N945	F908-L910 HydrophobicContact CD2-CD2 3.94Å; F908-L910 HydrophobicContact CD2-CG 4.21Å; F908-L910 HydrophobicContact CE2-CD1 4.42Å; F908-L910 HydrophobicContact CE2-CD2 3.98Å; F908-L910 HydrophobicContact CE2-CG 4.08Å; L910-I927 HydrophobicContact CD2-CB 4.24Å; L910-I927 HydrophobicContact CD2-CG1 3.48Å; L910-I927 VanDerWaalsContact CD2-CG1 3.48Å; L910-I927 HydrophobicContact CD2-CG2 4.09Å; L910-N945 WeakPolarHBondContact CD2-ND2 3.47Å
911	T	59.8	Low	65.6	Low	74 Å²	74	81.2 Å²	81.2	45%	0.454	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	106.4	174.2	-52.7	0	0	0	0	107.9	F926	T911-F926 PolarHBondContact N-O 2.65Å; T911-F926 PolarHBondContact O-N 3.42Å
912	E	53.7	Low	63.2	Low	159 Å²	159	87.8 Å²	87.8	74%	0.743	50%	0.498	S	S	*	.			trans	-71.4	138.2	162.8	-66.5	-179.8	-162	0	0	108.4	D914	E912-D914 PolarHBondContact O-N 2.82Å
913	P	47.4	Very low	60.8	Low	71 Å²	71	93.8 Å²	93.8	46%	0.461	53%	0.525	S	S	.	.			trans	-74.2	112.3	-178.4	27.9	-33	0	0	0	111.5	V915 Q923	P913-V915 VanDerWaalsContact C-N 3.25Å; P913-V915 PolarHBondContact O-N 2.97Å; P913-Q923 HydrophobicContact CG-CB 4.47Å
914	D	43.3	Very low	58.6	Low	172 Å²	172	97.5 Å²	97.5	92%	0.92	55%	0.55	S	S	*	.	S	Bend	trans	-66.7	81.8	165.2	-88.5	-40.6	0	0	0	110.4	E912	E912-D914 PolarHBondContact O-N 2.82Å
915	V	45.2	Very low	56.8	Low	111 Å²	111	99.1 Å²	99.1	67%	0.673	56%	0.558	S	S	*	*			trans	167.1	127.1	145.5	151.3	0	0	0	0	108.7	P913 T917	P913-V915 VanDerWaalsContact C-N 3.25Å; P913-V915 PolarHBondContact O-N 2.97Å; V915-T917 HydrophobicContact CG1-CG2 4.05Å; V915-T917 PolarHBondContact O-N 3.02Å
916	T	42.3	Very low	55.4	Low	143 Å²	143	103.2 Å²	103.2	88%	0.877	58%	0.576	S	S	*	*			trans	-77.4	97.3	162.4	50.7	0	0	0	0	109.4
917	T	41	Very low	54.5	Low	92 Å²	92	103.5 Å²	103.5	56%	0.564	58%	0.577	S	S	*	*			trans	-70.1	143.7	159.7	40.3	0	0	0	0	109.7	V915 D919	V915-T917 HydrophobicContact CG1-CG2 4.05Å; V915-T917 PolarHBondContact O-N 3.02Å; T917-D919 PolarHBondContact O-N 3.03Å
918	D	42.4	Very low	54	Low	176 Å²	176	105.6 Å²	105.6	94%	0.941	59%	0.589	S	S	*	*	S	Bend	trans	-70.4	-15.1	-172.4	-107.1	-24.6	0	0	0	114.2
919	D	41.8	Very low	53.9	Low	135 Å²	135	104.9 Å²	104.9	72%	0.722	59%	0.586	S	S	*	*	S	Bend	trans	-84.3	122.3	170.3	-70.2	-58.5	0	0	0	110.2	T917 E921	T917-D919 PolarHBondContact O-N 3.03Å; D919-E921 PolarHBondContact O-N 3.14Å
920	G	44.8	Very low	54.2	Low	81 Å²	81	103.3 Å²	103.3	84%	0.835	58%	0.577	S	S	*	*			trans	-71.2	27.7	-167.6	0	0	0	0	0	117.5	V922	G920-V922 PolarHBondContact O-N 3.01Å
921	E	42.4	Very low	54.9	Low	172 Å²	172	104.5 Å²	104.5	80%	0.804	58%	0.577	S	S	*	*			trans	-78.8	100.5	171	-66.4	-164.7	154.8	0	0	110	D919 Q923	D919-E921 PolarHBondContact O-N 3.14Å; E921-Q923 PolarHBondContact O-N 3.06Å
922	V	44.7	Very low	56.3	Low	139 Å²	139	105 Å²	105	84%	0.842	57%	0.574	S	S	*	*			trans	-66.3	102.3	174.5	-179.2	0	0	0	0	109	G920	G920-V922 PolarHBondContact O-N 3.01Å
923	Q	45.3	Very low	58.1	Low	131 Å²	131	98.4 Å²	98.4	61%	0.612	54%	0.544	S	S	*	.			trans	-60.4	140.7	174.1	-71.1	-167.1	-1.9	0	0	110.9	P913 E921	P913-Q923 HydrophobicContact CG-CB 4.47Å; E921-Q923 PolarHBondContact O-N 3.06Å
924	P	49.7	Very low	60.2	Low	87 Å²	87	97.1 Å²	97.1	57%	0.565	54%	0.535	S	S	*	.			trans	-69	136.6	-172.1	27.5	-35.6	0	0	0	112.3	F926 R948	P924-F926 PolarHBondContact O-N 3.05Å; P924-R948 VanDerWaalsContact CB-CD 3.48Å; P924-R948 HydrophobicContact CB-CG 4.28Å
925	E	57	Low	62.5	Low	74 Å²	74	96 Å²	96	35%	0.346	52%	0.522	S	S	.	.			trans	-53.4	111.3	173.2	-51.5	161.8	152.4	0	0	109.9	I927 N945 R948	E925-I927 WeakPolarHBondContact O-CD1 3.14Å; E925-N945 PolarHBondContact OE2-ND2 3.27Å; E925-R948 IonicContact OE2-CZ 3.99Å; E925-R948 VanDerWaalsContact OE2-CZ 3.23Å; E925-R948 IonicContact OE2-NH1 3.1Å; E925-R948 PolarHBondContact OE2-NH1 2.76Å; E925-R948 IonicContact OE2-NH2 3.75Å; E925-R948 PolarHBondContact OE2-NH2 2.69Å
926	F	61.3	Low	64.6	Low	121 Å²	121	92 Å²	92	53%	0.531	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.5	-178.6	-170	-93.1	0	0	0	110.5	T911 P924 L949	T911-F926 PolarHBondContact N-O 2.65Å; T911-F926 PolarHBondContact O-N 3.42Å; P924-F926 PolarHBondContact O-N 3.05Å; F926-L949 HydrophobicContact CD2-CD2 4.34Å; F926-L949 HydrophobicContact CE2-CD2 4.38Å
927	I	70.5	Confident	66.6	Low	8 Å²	8	87.4 Å²	87.4	4%	0.041	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.5	-177.4	-49.5	96.8	0	0	0	110.4	F908 L909 L910 E925 F929 N945 L949	F908-I927 HydrophobicContact CB-CG2 4.02Å; F908-I927 HydrophobicContact CD2-CG2 4.01Å; F908-I927 HydrophobicContact CG-CG2 4.32Å; L909-I927 WeakPolarHBondContact O-CA 3.45Å; L910-I927 HydrophobicContact CD2-CB 4.24Å; L910-I927 HydrophobicContact CD2-CG1 3.48Å; L910-I927 VanDerWaalsContact CD2-CG1 3.48Å; L910-I927 HydrophobicContact CD2-CG2 4.09Å; E925-I927 WeakPolarHBondContact O-CD1 3.14Å; I927-F929 HydrophobicContact CG2-CE1 4.23Å; I927-N945 HydrophobicContact CD1-CB 3.7Å; I927-N945 VanDerWaalsContact CD1-O 3.32Å; I927-N945 WeakPolarHBondContact CD1-O 3.24Å; I927-N945 HydrophobicContact CG1-CB 3.85Å; I927-L949 HydrophobicContact CB-CD1 4.14Å; I927-L949 HydrophobicContact CD1-CD1 3.78Å; I927-L949 HydrophobicContact CD1-CD2 4.09Å; I927-L949 HydrophobicContact CD1-CG 3.67Å
928	T	74.2	Confident	68.5	Low	55 Å²	55	84.2 Å²	84.2	34%	0.337	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.5	174.2	-55.6	0	0	0	0	109	F908 L909 L930	F908-T928 CarbonylContact C-O 3.55Å; F908-T928 VanDerWaalsContact CA-O 3.31Å; F908-T928 WeakPolarHBondContact CA-O 3.29Å; L909-T928 PolarHBondContact N-O 3.05Å; L909-T928 PolarHBondContact O-N 2.87Å; T928-L930 PolarHBondContact O-N 2.89Å
929	F	79.4	Confident	69.6	Low	29 Å²	29	77.8 Å²	77.8	13%	0.127	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.9	171	-57.9	-62.7	0	0	0	109.7	P773 M775 F908 I927 Y931 V946	P773-F929 HydrophobicContact CB-CE1 4.15Å; P773-F929 HydrophobicContact CG-CD1 4.21Å; P773-F929 HydrophobicContact CG-CE1 3.73Å; M775-F929 HydrophobicContact CB-CE2 3.97Å; M775-F929 HydrophobicContact CB-CZ 4.12Å; F908-F929 HydrophobicContact CB-CD1 4.22Å; I927-F929 HydrophobicContact CG2-CE1 4.23Å; F929-Y931 HydrophobicContact CB-CD2 4.28Å; F929-Y931 HydrophobicContact CB-CE1 4.19Å; F929-Y931 HydrophobicContact CB-CE2 3.76Å; F929-Y931 WeakPolarHBondContact O-CD2 3.16Å; F929-Y931 WeakPolarHBondContact O-CE2 3.29Å; F929-V946 HydrophobicContact CE1-CG2 4.49Å; F929-V946 HydrophobicContact CZ-CG2 4.02Å
930	L	82.6	Confident	70.5	Confident	59 Å²	59	80 Å²	80	31%	0.309	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-11.4	179.5	-66.6	-175.6	0	0	0	113.3	A907 L909 T928 Q932	A907-L930 HydrophobicContact CB-CB 4.12Å; A907-L930 HydrophobicContact CB-CD1 4.1Å; A907-L930 PolarHBondContact O-N 2.91Å; L909-L930 HydrophobicContact CD1-CD1 4.44Å; L909-L930 HydrophobicContact CD1-CD2 3.97Å; L909-L930 HydrophobicContact CD2-CD1 4.07Å; L909-L930 HydrophobicContact CG-CD1 3.88Å; L909-L930 HydrophobicContact CG-CD2 3.99Å; L909-L930 HydrophobicContact CG-CG 4.04Å; T928-L930 PolarHBondContact O-N 2.89Å; L930-Q932 HydrophobicContact CB-CB 4.48Å; L930-Q932 PolarHBondContact O-N 3.34Å
931	Y	84.2	Confident	71.2	Confident	105 Å²	105	79 Å²	79	41%	0.412	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.6	14.9	-177.3	-55.4	-80.1	0	0	0	115.1	N756 M775 M906 F929	N756-Y931 PolarHBondContact ND2-O 2.92Å; M775-Y931 VanDerWaalsContact O-CE1 3.32Å; M775-Y931 WeakPolarHBondContact O-CE1 3.41Å; M906-Y931 VanDerWaalsContact CE-C 3.47Å; M906-Y931 VanDerWaalsContact CE-O 3.23Å; M906-Y931 WeakPolarHBondContact CE-O 3.45Å; F929-Y931 HydrophobicContact CB-CD2 4.28Å; F929-Y931 HydrophobicContact CB-CE1 4.19Å; F929-Y931 HydrophobicContact CB-CE2 3.76Å; F929-Y931 WeakPolarHBondContact O-CD2 3.16Å; F929-Y931 WeakPolarHBondContact O-CE2 3.29Å
932	Q	88.4	Confident	72.5	Confident	86 Å²	86	73.5 Å²	73.5	40%	0.402	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.9	177.5	-169.4	-179.9	26.9	0	0	110.4	V754 A907 L930	V754-Q932 HydrophobicContact CG1-CB 4.15Å; A907-Q932 WeakPolarHBondContact CB-O 3.47Å; A907-Q932 PolarHBondContact N-O 3.45Å; L930-Q932 HydrophobicContact CB-CB 4.48Å; L930-Q932 PolarHBondContact O-N 3.34Å
933	L	91.9	Very high	74	Confident	20 Å²	20	69 Å²	69	11%	0.105	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	121	175.4	-171.4	80	0	0	0	110.7	N756 M768 I770 Y781 F904 M906	N756-L933 WeakPolarHBondContact OD1-CB 3.37Å; N756-L933 PolarHBondContact OD1-N 3.4Å; M768-L933 HydrophobicContact CE-CD2 4.38Å; M768-L933 HydrophobicContact SD-CD2 3.88Å; I770-L933 HydrophobicContact CG2-CD1 4.19Å; Y781-L933 HydrophobicContact CE1-CD1 4.48Å; Y781-L933 HydrophobicContact CE1-CD2 3.85Å; Y781-L933 HydrophobicContact CE2-CD2 4.08Å; F904-L933 HydrophobicContact CB-CD1 3.86Å; F904-L933 HydrophobicContact CB-CD2 4.25Å; F904-L933 HydrophobicContact CB-CG 4.05Å; F904-L933 HydrophobicContact CD1-CD2 3.72Å; F904-L933 HydrophobicContact CD1-CG 3.85Å; F904-L933 HydrophobicContact CE1-CD2 4.27Å; F904-L933 HydrophobicContact CG-CD2 4.12Å; F904-L933 HydrophobicContact CG-CG 4.29Å; M906-L933 HydrophobicContact SD-CB 4.13Å; M906-L933 HydrophobicContact SD-CD1 3.57Å; M906-L933 VanDerWaalsContact SD-CD1 3.57Å; M906-L933 HydrophobicContact SD-CG 4.48Å
934	T	91	Very high	75.6	Confident	43 Å²	43	64.7 Å²	64.7	26%	0.264	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.6	178.4	40.4	0	0	0	0	111.9	F904 H905 A907	F904-T934 CarbonylContact C-O 3.47Å; F904-T934 VanDerWaalsContact CA-O 3.28Å; F904-T934 WeakPolarHBondContact CA-O 3.31Å; H905-T934 PolarHBondContact CD2-OG1 3.43Å; H905-T934 PolarHBondContact CE1-OG1 2.62Å; H905-T934 PolarHBondContact N-O 2.92Å; H905-T934 PolarHBondContact ND1-O 2.91Å; H905-T934 PolarHBondContact NE2-OG1 3.04Å; H905-T934 VanDerWaalsContact NE2-OG1 3.14Å; H905-T934 PolarHBondContact O-N 3.13Å; H905-T934 PolarHBondContact O-OG1 3.07Å; A907-T934 HydrophobicContact CB-CG2 3.88Å
935	K	91.9	Very high	76.8	Confident	148 Å²	148	61.1 Å²	61.1	64%	0.643	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	148.1	-179.2	-169.8	178.9	177.1	-175.2	0	111.7	F904	F904-K935 HydrophobicContact CD1-CB 4.16Å; F904-K935 HydrophobicContact CE1-CB 4.03Å; F904-K935 HydrophobicContact CE1-CG 4.3Å; F904-K935 HydrophobicContact CZ-CG 4.45Å
936	G	89.9	Confident	77.8	Confident	27 Å²	27	59.7 Å²	59.7	28%	0.278	32%	0.323	S	S	.	.	S	Bend	trans	100.2	160.1	-174.6	0	0	0	0	0	111.8	N903 F904 H905	N903-G936 PolarHBondContact O-N 3.35Å; F904-G936 CarbonylContact C-O 3.53Å; F904-G936 WeakPolarHBondContact CA-O 3.29Å; F904-G936 PolarHBondContact N-O 2.87Å; H905-G936 PolarHBondContact N-O 3.19Å; H905-G936 PolarHBondContact ND1-O 3.4Å
937	A	84.7	Confident	78.8	Confident	47 Å²	47	55.2 Å²	55.2	39%	0.388	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-74	151.5	174.4	0	0	0	0	0	111.2	C891 N903	C891-A937 HydrophobicContact CB-CB 4.2Å; N903-A937 HydrophobicContact CB-CB 4.25Å
938	A	79.8	Confident	79.3	Confident	26 Å²	26	57 Å²	57	22%	0.215	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-58.7	141.9	-178.5	0	0	0	0	0	112.7	T771 H905	T771-A938 WeakPolarHBondContact OG1-CB 3.12Å; T771-A938 PolarHBondContact OG1-N 3.02Å; H905-A938 HydrophobicContact CB-CB 3.71Å
939	G	65.8	Low	79.5	Confident	40 Å²	40	58.1 Å²	58.1	41%	0.412	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-60.7	159.1	171.9	0	0	0	0	0	113.1
940	R	61.9	Low	79.7	Confident	182 Å²	182	60.1 Å²	60.1	69%	0.687	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	165.4	172.6	-69.3	-178.7	175.4	124.8	1.8	111.1	Y942 E968	R940-Y942 PolarHBondContact O-N 3.33Å; R940-E968 IonicContact CZ-OE1 3.97Å; R940-E968 IonicContact CZ-OE2 2.85Å; R940-E968 IonicContact NE-OE1 3.55Å; R940-E968 PolarHBondContact NE-OE1 3.17Å; R940-E968 IonicContact NE-OE2 2.75Å; R940-E968 PolarHBondContact NE-OE2 3.35Å; R940-E968 IonicContact NH2-OE1 3.62Å; R940-E968 PolarHBondContact NH2-OE1 3.43Å; R940-E968 IonicContact NH2-OE2 3.64Å; R940-E968 PolarHBondContact NH2-OE2 3.45Å
941	S	58.3	Low	79.8	Confident	60 Å²	60	64.6 Å²	64.6	42%	0.42	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	-14.5	169.1	-46.3	0	0	0	0	119.2	G943 L944 N945	S941-G943 VanDerWaalsContact C-N 3.25Å; S941-G943 PolarHBondContact O-N 3.43Å; S941-L944 WeakPolarHBondContact O-CB 3.24Å; S941-L944 PolarHBondContact O-N 2.81Å; S941-N945 PolarHBondContact O-N 2.89Å; S941-N945 PolarHBondContact O-OD1 3.28Å; S941-N945 VanDerWaalsContact O-OD1 3.08Å
942	Y	71.3	Confident	79.9	Confident	57 Å²	57	61.9 Å²	61.9	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-49	-38.9	-172.8	71.7	-98	0	0	0	115.3	P773 H886 R940 L944 N945 V946	P773-Y942 HydrophobicContact CB-CD2 3.8Å; P773-Y942 HydrophobicContact CB-CE2 4.33Å; P773-Y942 HydrophobicContact CG-CD2 4.34Å; H886-Y942 PolarHBondContact ND1-OH 2.84Å; R940-Y942 PolarHBondContact O-N 3.33Å; Y942-L944 PolarHBondContact O-N 3.34Å; Y942-N945 PolarHBondContact O-N 3.05Å; Y942-V946 WeakPolarHBondContact O-CG2 3.39Å; Y942-V946 PolarHBondContact O-N 2.86Å
943	G	74.8	Confident	80	Confident	43 Å²	43	61.4 Å²	61.4	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-70	-28.7	179.4	0	0	0	0	0	114.5	S941 A947	S941-G943 VanDerWaalsContact C-N 3.25Å; S941-G943 PolarHBondContact O-N 3.43Å; G943-A947 WeakPolarHBondContact O-CB 3.36Å; G943-A947 PolarHBondContact O-N 2.85Å; G943-A947 VanDerWaalsContact O-N 3.08Å
944	L	79.3	Confident	79.7	Confident	41 Å²	41	63.6 Å²	63.6	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-75.6	-36.8	173.9	-58.8	175.9	0	0	0	110.7	S941 Y942 A947 R948 A960	S941-L944 WeakPolarHBondContact O-CB 3.24Å; S941-L944 PolarHBondContact O-N 2.81Å; Y942-L944 PolarHBondContact O-N 3.34Å; L944-A947 WeakPolarHBondContact O-CB 3.27Å; L944-A947 PolarHBondContact O-N 3.09Å; L944-R948 PolarHBondContact O-N 3.11Å; L944-A960 HydrophobicContact CD2-CB 3.62Å
945	N	75.7	Confident	79.7	Confident	13 Å²	13	66.1 Å²	66.1	7%	0.07	39%	0.392	C	S	.	.	H	α-helix	trans	-67.4	-40.7	176.8	-67.5	42.9	0	0	0	110.7	L910 E925 I927 S941 Y942 A947 R948 L949	L910-N945 WeakPolarHBondContact CD2-ND2 3.47Å; E925-N945 PolarHBondContact OE2-ND2 3.27Å; I927-N945 HydrophobicContact CD1-CB 3.7Å; I927-N945 VanDerWaalsContact CD1-O 3.32Å; I927-N945 WeakPolarHBondContact CD1-O 3.24Å; I927-N945 HydrophobicContact CG1-CB 3.85Å; S941-N945 PolarHBondContact O-N 2.89Å; S941-N945 PolarHBondContact O-OD1 3.28Å; S941-N945 VanDerWaalsContact O-OD1 3.08Å; Y942-N945 PolarHBondContact O-N 3.05Å; N945-A947 VanDerWaalsContact C-N 3.35Å; N945-R948 WeakPolarHBondContact O-CB 3.27Å; N945-R948 PolarHBondContact O-N 2.83Å; N945-L949 PolarHBondContact O-N 2.97Å
946	V	78.3	Confident	79.7	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-63.9	-36.9	169.6	173.5	0	0	0	0	112.1	P773 F929 Y942 R948 L949 A950	P773-V946 HydrophobicContact CB-CG2 4.43Å; F929-V946 HydrophobicContact CE1-CG2 4.49Å; F929-V946 HydrophobicContact CZ-CG2 4.02Å; Y942-V946 WeakPolarHBondContact O-CG2 3.39Å; Y942-V946 PolarHBondContact O-N 2.86Å; V946-R948 VanDerWaalsContact C-N 3.29Å; V946-R948 PolarHBondContact O-N 3.44Å; V946-L949 PolarHBondContact O-N 2.97Å; V946-A950 PolarHBondContact O-N 2.9Å
947	A	81.8	Confident	79.6	Confident	27 Å²	27	63 Å²	63	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-32.6	173.5	0	0	0	0	0	112.4	G943 L944 N945 A950 V952 L957	G943-A947 WeakPolarHBondContact O-CB 3.36Å; G943-A947 PolarHBondContact O-N 2.85Å; G943-A947 VanDerWaalsContact O-N 3.08Å; L944-A947 WeakPolarHBondContact O-CB 3.27Å; L944-A947 PolarHBondContact O-N 3.09Å; N945-A947 VanDerWaalsContact C-N 3.35Å; A947-A950 CarbonylContact O-C 3.56Å; A947-A950 PolarHBondContact O-N 2.99Å; A947-A950 VanDerWaalsContact O-N 3.12Å; A947-V952 HydrophobicContact CB-CB 4.25Å; A947-V952 HydrophobicContact CB-CG2 4.13Å; A947-V952 VanDerWaalsContact O-CB 3.29Å; A947-V952 WeakPolarHBondContact O-CB 3.38Å; A947-V952 VanDerWaalsContact O-CG2 3.31Å; A947-V952 WeakPolarHBondContact O-CG2 3.39Å; A947-V952 PolarHBondContact O-N 3.13Å; A947-L957 HydrophobicContact CB-CD2 3.7Å
948	R	80.8	Confident	79.6	Confident	46 Å²	46	67 Å²	67	17%	0.174	39%	0.385	C	S	.	.	H	α-helix	trans	-65.3	-37.8	172.2	-156.5	-173.2	-66.6	119.3	-16.8	112.5	P924 E925 L944 N945 V946 A950 D951 D954 L957	P924-R948 VanDerWaalsContact CB-CD 3.48Å; P924-R948 HydrophobicContact CB-CG 4.28Å; E925-R948 IonicContact OE2-CZ 3.99Å; E925-R948 VanDerWaalsContact OE2-CZ 3.23Å; E925-R948 IonicContact OE2-NH1 3.1Å; E925-R948 PolarHBondContact OE2-NH1 2.76Å; E925-R948 IonicContact OE2-NH2 3.75Å; E925-R948 PolarHBondContact OE2-NH2 2.69Å; L944-R948 PolarHBondContact O-N 3.11Å; N945-R948 WeakPolarHBondContact O-CB 3.27Å; N945-R948 PolarHBondContact O-N 2.83Å; V946-R948 VanDerWaalsContact C-N 3.29Å; V946-R948 PolarHBondContact O-N 3.44Å; R948-A950 PolarHBondContact O-N 2.79Å; R948-D951 PolarHBondContact O-N 3.34Å; R948-D951 VanDerWaalsContact O-N 3.16Å; R948-D954 IonicContact NE-OD1 3.2Å; R948-D954 PolarHBondContact NE-OD1 3.26Å; R948-L957 HydrophobicContact CB-CD1 3.61Å; R948-L957 HydrophobicContact CG-CD1 3.69Å
949	L	77.7	Confident	80.2	Confident	78 Å²	78	69 Å²	69	41%	0.408	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.2	172.1	-66.7	177.2	0	0	0	114	F926 I927 N945 V946	F926-L949 HydrophobicContact CD2-CD2 4.34Å; F926-L949 HydrophobicContact CE2-CD2 4.38Å; I927-L949 HydrophobicContact CB-CD1 4.14Å; I927-L949 HydrophobicContact CD1-CD1 3.78Å; I927-L949 HydrophobicContact CD1-CD2 4.09Å; I927-L949 HydrophobicContact CD1-CG 3.67Å; N945-L949 PolarHBondContact O-N 2.97Å; V946-L949 PolarHBondContact O-N 2.97Å
950	A	84.1	Confident	81.2	Confident	71 Å²	71	68.9 Å²	68.9	59%	0.587	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	24.8	174.3	0	0	0	0	0	112	V946 A947 R948 V952	V946-A950 PolarHBondContact O-N 2.9Å; A947-A950 CarbonylContact O-C 3.56Å; A947-A950 PolarHBondContact O-N 2.99Å; A947-A950 VanDerWaalsContact O-N 3.12Å; R948-A950 PolarHBondContact O-N 2.79Å; A950-V952 PolarHBondContact O-N 3.23Å; A950-V952 VanDerWaalsContact O-N 3.1Å
951	D	85.2	Confident	82.4	Confident	152 Å²	152	61.3 Å²	61.3	81%	0.813	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	30.3	179.5	-60.9	-37.8	0	0	0	114.9	R948 P953	R948-D951 PolarHBondContact O-N 3.34Å; R948-D951 VanDerWaalsContact O-N 3.16Å; D951-P953 WeakPolarHBondContact O-CD 3.48Å
952	V	86.6	Confident	83.8	Confident	48 Å²	48	65.7 Å²	65.7	29%	0.291	37%	0.372	S	S	.	.			trans	-71.5	120.9	174.3	176.7	0	0	0	0	109.5	A947 A950 D954 I956 L957	A947-V952 HydrophobicContact CB-CB 4.25Å; A947-V952 HydrophobicContact CB-CG2 4.13Å; A947-V952 VanDerWaalsContact O-CB 3.29Å; A947-V952 WeakPolarHBondContact O-CB 3.38Å; A947-V952 VanDerWaalsContact O-CG2 3.31Å; A947-V952 WeakPolarHBondContact O-CG2 3.39Å; A947-V952 PolarHBondContact O-N 3.13Å; A950-V952 PolarHBondContact O-N 3.23Å; A950-V952 VanDerWaalsContact O-N 3.1Å; V952-D954 PolarHBondContact O-N 3.29Å; V952-I956 HydrophobicContact CG1-CB 4.24Å; V952-I956 HydrophobicContact CG1-CG2 4.18Å; V952-L957 HydrophobicContact CB-CD2 4.11Å; V952-L957 HydrophobicContact CG1-CD2 3.85Å; V952-L957 HydrophobicContact CG1-CG 4.31Å; V952-L957 VanDerWaalsContact O-CD1 3.32Å; V952-L957 WeakPolarHBondContact O-CD1 3.37Å
953	P	90.4	Very high	84.6	Confident	76 Å²	76	68.1 Å²	68.1	49%	0.494	38%	0.384	S	S	.	.			trans	-55.5	133.5	-172.3	-30.1	35.3	0	0	0	115.2	D951 P955 I956 L957	D951-P953 WeakPolarHBondContact O-CD 3.48Å; P953-P955 VanDerWaalsContact C-N 3.34Å; P953-P955 VanDerWaalsContact O-N 3.14Å; P953-I956 HydrophobicContact CB-CD1 4.5Å; P953-I956 WeakPolarHBondContact O-CA 3.47Å; P953-I956 VanDerWaalsContact O-CB 3.29Å; P953-I956 WeakPolarHBondContact O-CB 3.36Å; P953-I956 PolarHBondContact O-N 3.44Å; P953-L957 PolarHBondContact O-N 3.03Å
954	D	85.2	Confident	85.2	Confident	66 Å²	66	68.6 Å²	68.6	35%	0.353	38%	0.384	S	S	.	.	H	α-helix	trans	-53.4	-32.7	-178	-72.2	-78.6	0	0	0	116.3	R948 V952 I956 L957 H958	R948-D954 IonicContact NE-OD1 3.2Å; R948-D954 PolarHBondContact NE-OD1 3.26Å; V952-D954 PolarHBondContact O-N 3.29Å; D954-I956 PolarHBondContact O-N 3.4Å; D954-L957 PolarHBondContact O-N 2.93Å; D954-H958 WeakPolarHBondContact O-CB 3.48Å; D954-H958 PolarHBondContact O-CD2 3.25Å; D954-H958 PolarHBondContact O-N 2.86Å
955	P	91.5	Very high	85.5	Confident	96 Å²	96	73.9 Å²	73.9	62%	0.623	40%	0.401	S	S	*	.	H	α-helix	trans	-57.1	-31.3	171.8	-27.6	36.7	0	0	0	113.8	P953 T959	P953-P955 VanDerWaalsContact C-N 3.34Å; P953-P955 VanDerWaalsContact O-N 3.14Å; P955-T959 WeakPolarHBondContact O-CB 3.36Å; P955-T959 PolarHBondContact O-N 3.12Å; P955-T959 PolarHBondContact O-OG1 2.82Å
956	I	90.9	Very high	86.2	Confident	100 Å²	100	77.3 Å²	77.3	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-75.2	-47.4	172.9	-56.4	176.6	0	0	0	109.5	V952 P953 D954 H958 T959 A960	V952-I956 HydrophobicContact CG1-CB 4.24Å; V952-I956 HydrophobicContact CG1-CG2 4.18Å; P953-I956 HydrophobicContact CB-CD1 4.5Å; P953-I956 WeakPolarHBondContact O-CA 3.47Å; P953-I956 VanDerWaalsContact O-CB 3.29Å; P953-I956 WeakPolarHBondContact O-CB 3.36Å; P953-I956 PolarHBondContact O-N 3.44Å; D954-I956 PolarHBondContact O-N 3.4Å; I956-H958 PolarHBondContact O-N 3.29Å; I956-T959 PolarHBondContact O-N 3.1Å; I956-T959 VanDerWaalsContact O-N 3.16Å; I956-A960 WeakPolarHBondContact O-CB 3.38Å; I956-A960 PolarHBondContact O-N 3.16Å
957	L	86.9	Confident	86.6	Confident	11 Å²	11	80.7 Å²	80.7	6%	0.058	43%	0.433	C	S	.	.	H	α-helix	trans	-61.7	-43.7	-179.8	-58.8	-179.3	0	0	0	112.9	A947 R948 V952 P953 D954 T959 A960 S961	A947-L957 HydrophobicContact CB-CD2 3.7Å; R948-L957 HydrophobicContact CB-CD1 3.61Å; R948-L957 HydrophobicContact CG-CD1 3.69Å; V952-L957 HydrophobicContact CB-CD2 4.11Å; V952-L957 HydrophobicContact CG1-CD2 3.85Å; V952-L957 HydrophobicContact CG1-CG 4.31Å; V952-L957 VanDerWaalsContact O-CD1 3.32Å; V952-L957 WeakPolarHBondContact O-CD1 3.37Å; P953-L957 PolarHBondContact O-N 3.03Å; D954-L957 PolarHBondContact O-N 2.93Å; L957-T959 VanDerWaalsContact C-N 3.34Å; L957-T959 PolarHBondContact O-N 3.26Å; L957-A960 PolarHBondContact O-N 3.35Å; L957-S961 WeakPolarHBondContact O-CB 3.27Å; L957-S961 PolarHBondContact O-N 3.43Å
958	H	86.4	Confident	86.7	Confident	130 Å²	130	82.2 Å²	82.2	60%	0.602	44%	0.435	S	S	*	.	H	α-helix	trans	-61.2	-42	173.1	-70.6	-52.9	0	0	0	111.8	D954 I956 S961 R962	D954-H958 WeakPolarHBondContact O-CB 3.48Å; D954-H958 PolarHBondContact O-CD2 3.25Å; D954-H958 PolarHBondContact O-N 2.86Å; I956-H958 PolarHBondContact O-N 3.29Å; H958-S961 PolarHBondContact O-N 3.26Å; H958-R962 WeakPolarHBondContact O-CB 3.22Å; H958-R962 PolarHBondContact O-N 2.9Å
959	T	90.6	Very high	87	Confident	68 Å²	68	83.5 Å²	83.5	42%	0.417	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-43.2	177.9	-64.8	0	0	0	0	111.5	P955 I956 L957 R962 K963	P955-T959 WeakPolarHBondContact O-CB 3.36Å; P955-T959 PolarHBondContact O-N 3.12Å; P955-T959 PolarHBondContact O-OG1 2.82Å; I956-T959 PolarHBondContact O-N 3.1Å; I956-T959 VanDerWaalsContact O-N 3.16Å; L957-T959 VanDerWaalsContact C-N 3.34Å; L957-T959 PolarHBondContact O-N 3.26Å; T959-R962 PolarHBondContact O-N 3.4Å; T959-K963 PolarHBondContact O-N 3.25Å
960	A	88.5	Confident	87.6	Confident	37 Å²	37	83.1 Å²	83.1	31%	0.306	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-42.9	175.3	0	0	0	0	0	111.9	L944 I956 L957 R962 K963 A964	L944-A960 HydrophobicContact CD2-CB 3.62Å; I956-A960 WeakPolarHBondContact O-CB 3.38Å; I956-A960 PolarHBondContact O-N 3.16Å; L957-A960 PolarHBondContact O-N 3.35Å; A960-R962 VanDerWaalsContact C-N 3.31Å; A960-R962 PolarHBondContact O-N 3.01Å; A960-K963 PolarHBondContact O-N 2.87Å; A960-A964 WeakPolarHBondContact O-CB 3.27Å; A960-A964 PolarHBondContact O-N 2.84Å
961	S	86	Confident	87.8	Confident	24 Å²	24	82.6 Å²	82.6	17%	0.168	44%	0.438	C	S	.	.	H	α-helix	trans	-58.2	-40.4	174.1	-179.9	0	0	0	0	112.7	L957 H958 R965	L957-S961 WeakPolarHBondContact O-CB 3.27Å; L957-S961 PolarHBondContact O-N 3.43Å; H958-S961 PolarHBondContact O-N 3.26Å; S961-R965 WeakPolarHBondContact O-CG 3.45Å; S961-R965 PolarHBondContact O-N 2.69Å; S961-R965 PolarHBondContact O-NE 2.94Å; S961-R965 PolarHBondContact OG-NH2 3.45Å
962	R	87.3	Confident	87.8	Confident	151 Å²	151	78 Å²	78	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-66.5	-49.3	173	177.5	172.5	56.8	169.1	-5.3	111.2	H958 T959 A960 R965 E966	H958-R962 WeakPolarHBondContact O-CB 3.22Å; H958-R962 PolarHBondContact O-N 2.9Å; T959-R962 PolarHBondContact O-N 3.4Å; A960-R962 VanDerWaalsContact C-N 3.31Å; A960-R962 PolarHBondContact O-N 3.01Å; R962-R965 PolarHBondContact O-N 3.28Å; R962-E966 WeakPolarHBondContact O-CB 3.28Å; R962-E966 PolarHBondContact O-N 2.9Å
963	K	89.3	Confident	87.9	Confident	108 Å²	108	78.6 Å²	78.6	47%	0.47	42%	0.424	S	S	.	.	H	α-helix	trans	-67.6	-34.9	-177.1	-79.3	-73.3	168.7	-160	0	113.8	T959 A960 E966 L967	T959-K963 PolarHBondContact O-N 3.25Å; A960-K963 PolarHBondContact O-N 2.87Å; K963-E966 WeakPolarHBondContact CD-OE2 3.49Å; K963-E966 VanDerWaalsContact CE-OE2 3.3Å; K963-E966 WeakPolarHBondContact CE-OE2 3.29Å; K963-E966 IonicContact NZ-OE1 3.68Å; K963-E966 PolarHBondContact NZ-OE1 3.46Å; K963-E966 IonicContact NZ-OE2 2.69Å; K963-E966 PolarHBondContact NZ-OE2 2.97Å; K963-E966 PolarHBondContact O-N 3.45Å; K963-L967 WeakPolarHBondContact O-CB 3.4Å; K963-L967 PolarHBondContact O-N 3.48Å
964	A	86.5	Confident	87.8	Confident	54 Å²	54	83.1 Å²	83.1	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-48.6	173.1	0	0	0	0	0	111.3	A960 L967 E968	A960-A964 WeakPolarHBondContact O-CB 3.27Å; A960-A964 PolarHBondContact O-N 2.84Å; A964-L967 PolarHBondContact O-N 3.1Å; A964-E968 VanDerWaalsContact O-CB 3.32Å; A964-E968 WeakPolarHBondContact O-CB 3.21Å; A964-E968 PolarHBondContact O-N 2.89Å
965	R	85.4	Confident	87.9	Confident	151 Å²	151	84.3 Å²	84.3	57%	0.57	43%	0.431	S	S	*	.	H	α-helix	trans	-64.1	-40.4	176.7	-75.6	-179.8	-80.4	169.8	-12	112.8	S961 R962 S969	S961-R965 WeakPolarHBondContact O-CG 3.45Å; S961-R965 PolarHBondContact O-N 2.69Å; S961-R965 PolarHBondContact O-NE 2.94Å; S961-R965 PolarHBondContact OG-NH2 3.45Å; R962-R965 PolarHBondContact O-N 3.28Å; R965-S969 VanDerWaalsContact O-CB 3.29Å; R965-S969 WeakPolarHBondContact O-CB 3.33Å; R965-S969 PolarHBondContact O-N 3.1Å; R965-S969 PolarHBondContact O-OG 3Å
966	E	89.9	Confident	87.6	Confident	86 Å²	86	86.2 Å²	86.2	40%	0.402	43%	0.429	S	S	.	.	H	α-helix	trans	-59.8	-49.7	174.9	-174.3	-172.2	140.3	0	0	111.4	R962 K963 S969 L970	R962-E966 WeakPolarHBondContact O-CB 3.28Å; R962-E966 PolarHBondContact O-N 2.9Å; K963-E966 WeakPolarHBondContact CD-OE2 3.49Å; K963-E966 VanDerWaalsContact CE-OE2 3.3Å; K963-E966 WeakPolarHBondContact CE-OE2 3.29Å; K963-E966 IonicContact NZ-OE1 3.68Å; K963-E966 PolarHBondContact NZ-OE1 3.46Å; K963-E966 IonicContact NZ-OE2 2.69Å; K963-E966 PolarHBondContact NZ-OE2 2.97Å; K963-E966 PolarHBondContact O-N 3.45Å; E966-S969 PolarHBondContact O-OG 2.92Å; E966-S969 VanDerWaalsContact O-OG 3.11Å; E966-L970 WeakPolarHBondContact O-CB 3.34Å; E966-L970 PolarHBondContact O-N 2.86Å
967	L	87.6	Confident	87.5	Confident	115 Å²	115	89.3 Å²	89.3	60%	0.602	44%	0.435	S	S	*	.	H	α-helix	trans	-66.8	-46.3	180	-176.1	63.4	0	0	0	112	K963 A964 L970 V971	K963-L967 WeakPolarHBondContact O-CB 3.4Å; K963-L967 PolarHBondContact O-N 3.48Å; A964-L967 PolarHBondContact O-N 3.1Å; L967-L970 PolarHBondContact O-N 3.28Å; L967-V971 HydrophobicContact CD1-CG2 4.11Å; L967-V971 HydrophobicContact CG-CG2 4.45Å; L967-V971 WeakPolarHBondContact O-CB 3.36Å; L967-V971 VanDerWaalsContact O-CG2 3.28Å; L967-V971 WeakPolarHBondContact O-CG2 3.41Å; L967-V971 PolarHBondContact O-N 3Å
968	E	84.1	Confident	87.6	Confident	58 Å²	58	96.5 Å²	96.5	27%	0.271	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-47.5	-179.6	-167.7	-160.8	154.6	0	0	111.5	R940 A964 V971 N972	R940-E968 IonicContact CZ-OE1 3.97Å; R940-E968 IonicContact CZ-OE2 2.85Å; R940-E968 IonicContact NE-OE1 3.55Å; R940-E968 PolarHBondContact NE-OE1 3.17Å; R940-E968 IonicContact NE-OE2 2.75Å; R940-E968 PolarHBondContact NE-OE2 3.35Å; R940-E968 IonicContact NH2-OE1 3.62Å; R940-E968 PolarHBondContact NH2-OE1 3.43Å; R940-E968 IonicContact NH2-OE2 3.64Å; R940-E968 PolarHBondContact NH2-OE2 3.45Å; A964-E968 VanDerWaalsContact O-CB 3.32Å; A964-E968 WeakPolarHBondContact O-CB 3.21Å; A964-E968 PolarHBondContact O-N 2.89Å; E968-V971 PolarHBondContact O-N 3.21Å; E968-N972 VanDerWaalsContact O-CB 3.32Å; E968-N972 WeakPolarHBondContact O-CB 3.39Å; E968-N972 PolarHBondContact O-N 3.13Å
969	S	87.1	Confident	87.5	Confident	73 Å²	73	97.8 Å²	97.8	51%	0.51	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-42.3	179.1	57.8	0	0	0	0	112.1	R965 E966 A973	R965-S969 VanDerWaalsContact O-CB 3.29Å; R965-S969 WeakPolarHBondContact O-CB 3.33Å; R965-S969 PolarHBondContact O-N 3.1Å; R965-S969 PolarHBondContact O-OG 3Å; E966-S969 PolarHBondContact O-OG 2.92Å; E966-S969 VanDerWaalsContact O-OG 3.11Å; S969-A973 WeakPolarHBondContact O-CB 3.14Å; S969-A973 PolarHBondContact O-N 3.28Å
970	L	90.5	Very high	87.3	Confident	70 Å²	70	96.4 Å²	96.4	37%	0.366	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.2	178.7	152.9	0	0	0	112.2	E966 L967 R974	E966-L970 WeakPolarHBondContact O-CB 3.34Å; E966-L970 PolarHBondContact O-N 2.86Å; L967-L970 PolarHBondContact O-N 3.28Å; L970-R974 WeakPolarHBondContact O-CB 3.31Å; L970-R974 VanDerWaalsContact O-CG 3.29Å; L970-R974 WeakPolarHBondContact O-CG 3.41Å; L970-R974 PolarHBondContact O-N 3.04Å; L970-R974 VanDerWaalsContact O-N 3.13Å
971	V	87.1	Confident	87.4	Confident	60 Å²	60	98.6 Å²	98.6	36%	0.364	47%	0.466	S	S	.	.	H	α-helix	trans	-66.5	-48.2	179	168.9	0	0	0	0	110.6	L967 E968 R974 R975	L967-V971 HydrophobicContact CD1-CG2 4.11Å; L967-V971 HydrophobicContact CG-CG2 4.45Å; L967-V971 WeakPolarHBondContact O-CB 3.36Å; L967-V971 VanDerWaalsContact O-CG2 3.28Å; L967-V971 WeakPolarHBondContact O-CG2 3.41Å; L967-V971 PolarHBondContact O-N 3Å; E968-V971 PolarHBondContact O-N 3.21Å; V971-R974 PolarHBondContact O-N 3.14Å; V971-R975 HydrophobicContact CG1-CG 4.35Å; V971-R975 WeakPolarHBondContact O-CB 3.44Å; V971-R975 VanDerWaalsContact O-CG 3.29Å; V971-R975 WeakPolarHBondContact O-CG 3.13Å; V971-R975 PolarHBondContact O-N 3.17Å
972	N	86.3	Confident	87.4	Confident	56 Å²	56	101.4 Å²	101.4	30%	0.299	49%	0.486	S	S	.	.	H	α-helix	trans	-70.1	-34.7	-178.1	-74.5	-24.9	0	0	0	112.9	E968 R975 K976	E968-N972 VanDerWaalsContact O-CB 3.32Å; E968-N972 WeakPolarHBondContact O-CB 3.39Å; E968-N972 PolarHBondContact O-N 3.13Å; N972-R975 PolarHBondContact O-N 2.99Å; N972-R975 PolarHBondContact OD1-NH1 3.37Å; N972-K976 WeakPolarHBondContact O-CB 2.94Å; N972-K976 PolarHBondContact O-N 2.71Å
973	A	88.1	Confident	87.2	Confident	60 Å²	60	96 Å²	96	50%	0.496	47%	0.473	S	S	.	.	H	α-helix	trans	-62.3	-46.5	171.5	0	0	0	0	0	111.7	S969 K976 Y977	S969-A973 WeakPolarHBondContact O-CB 3.14Å; S969-A973 PolarHBondContact O-N 3.28Å; A973-K976 PolarHBondContact O-N 2.75Å; A973-Y977 WeakPolarHBondContact O-CB 3.37Å; A973-Y977 PolarHBondContact O-N 3.48Å
974	R	89.3	Confident	87.2	Confident	172 Å²	172	94 Å²	94	65%	0.649	47%	0.467	S	S	*	.	H	α-helix	trans	-63.5	-42.5	176.5	-73	176.5	179.4	-172	0.3	112.2	L970 V971 K978	L970-R974 WeakPolarHBondContact O-CB 3.31Å; L970-R974 VanDerWaalsContact O-CG 3.29Å; L970-R974 WeakPolarHBondContact O-CG 3.41Å; L970-R974 PolarHBondContact O-N 3.04Å; L970-R974 VanDerWaalsContact O-N 3.13Å; V971-R974 PolarHBondContact O-N 3.14Å; R974-K978 WeakPolarHBondContact O-CB 3.48Å; R974-K978 PolarHBondContact O-N 2.89Å
975	R	86.6	Confident	87.4	Confident	90 Å²	90	102 Å²	102	34%	0.34	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-49.9	175.2	-72.9	173.3	71.2	-125.4	-3.4	111.4	E892 V971 N972 K978 K979	E892-R975 IonicContact OE1-CZ 3.64Å; E892-R975 VanDerWaalsContact OE1-CZ 3.22Å; E892-R975 IonicContact OE1-NH1 2.71Å; E892-R975 PolarHBondContact OE1-NH1 3.19Å; E892-R975 IonicContact OE1-NH2 3.71Å; E892-R975 PolarHBondContact OE1-NH2 2.82Å; E892-R975 IonicContact OE2-CZ 2.69Å; E892-R975 IonicContact OE2-NH1 3.56Å; E892-R975 IonicContact OE2-NH2 3.22Å; E892-R975 PolarHBondContact OE2-NH2 2.83Å; V971-R975 HydrophobicContact CG1-CG 4.35Å; V971-R975 WeakPolarHBondContact O-CB 3.44Å; V971-R975 VanDerWaalsContact O-CG 3.29Å; V971-R975 WeakPolarHBondContact O-CG 3.13Å; V971-R975 PolarHBondContact O-N 3.17Å; N972-R975 PolarHBondContact O-N 2.99Å; N972-R975 PolarHBondContact OD1-NH1 3.37Å; R975-K978 PolarHBondContact O-N 3.24Å; R975-K979 VanDerWaalsContact O-CB 3.31Å; R975-K979 WeakPolarHBondContact O-CB 3.34Å; R975-K979 PolarHBondContact O-N 3.14Å
976	K	85.5	Confident	87.3	Confident	137 Å²	137	99.1 Å²	99.1	60%	0.596	49%	0.489	S	S	*	.	H	α-helix	trans	-59.9	-49.4	177.6	-174.2	174.3	179.3	178.7	0	111.2	N972 A973 K978 K979 L980	N972-K976 WeakPolarHBondContact O-CB 2.94Å; N972-K976 PolarHBondContact O-N 2.71Å; A973-K976 PolarHBondContact O-N 2.75Å; K976-K978 PolarHBondContact O-N 2.91Å; K976-K979 PolarHBondContact O-N 3.42Å; K976-L980 HydrophobicContact CD-CD1 4.43Å; K976-L980 HydrophobicContact CG-CD1 3.81Å; K976-L980 HydrophobicContact CG-CG 4.25Å; K976-L980 WeakPolarHBondContact O-CB 3.38Å; K976-L980 VanDerWaalsContact O-CG 3.28Å; K976-L980 WeakPolarHBondContact O-CG 3.29Å; K976-L980 PolarHBondContact O-N 2.98Å
977	Y	88.6	Confident	87.3	Confident	164 Å²	164	97 Å²	97	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-59.7	-47.8	179.7	-174.2	-94.9	0	0	0	112.4	A973 K979 L980 L981	A973-Y977 WeakPolarHBondContact O-CB 3.37Å; A973-Y977 PolarHBondContact O-N 3.48Å; Y977-K979 PolarHBondContact O-N 3.34Å; Y977-L980 PolarHBondContact O-N 3.23Å; Y977-L981 HydrophobicContact CE1-CD2 4.05Å; Y977-L981 VanDerWaalsContact O-CB 3.3Å; Y977-L981 WeakPolarHBondContact O-CB 3.38Å; Y977-L981 PolarHBondContact O-N 2.76Å
978	K	88.6	Confident	87.2	Confident	163 Å²	163	98 Å²	98	71%	0.709	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-40.2	178.8	-170.1	176.7	179.4	-177.3	0	112.3	R974 R975 K976 S982	R974-K978 WeakPolarHBondContact O-CB 3.48Å; R974-K978 PolarHBondContact O-N 2.89Å; R975-K978 PolarHBondContact O-N 3.24Å; K976-K978 PolarHBondContact O-N 2.91Å; K978-S982 VanDerWaalsContact O-CB 3.29Å; K978-S982 WeakPolarHBondContact O-CB 3.28Å; K978-S982 PolarHBondContact O-N 2.9Å
979	K	84.8	Confident	87.6	Confident	156 Å²	156	98.5 Å²	98.5	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-63.7	-46.1	176.6	-171.7	176	-176.8	177.3	0	111.5	R975 K976 Y977 A983	R975-K979 VanDerWaalsContact O-CB 3.31Å; R975-K979 WeakPolarHBondContact O-CB 3.34Å; R975-K979 PolarHBondContact O-N 3.14Å; K976-K979 PolarHBondContact O-N 3.42Å; Y977-K979 PolarHBondContact O-N 3.34Å; K979-A983 WeakPolarHBondContact O-CB 3.41Å; K979-A983 PolarHBondContact O-N 3.49Å
980	L	86.8	Confident	87.6	Confident	40 Å²	40	103.1 Å²	103.1	21%	0.209	51%	0.511	C	S	.	.	H	α-helix	trans	-63.1	-49.5	176.8	-72.8	177	0	0	0	112	K976 Y977 S982 A983 L984 W996 N1000	K976-L980 HydrophobicContact CD-CD1 4.43Å; K976-L980 HydrophobicContact CG-CD1 3.81Å; K976-L980 HydrophobicContact CG-CG 4.25Å; K976-L980 WeakPolarHBondContact O-CB 3.38Å; K976-L980 VanDerWaalsContact O-CG 3.28Å; K976-L980 WeakPolarHBondContact O-CG 3.29Å; K976-L980 PolarHBondContact O-N 2.98Å; Y977-L980 PolarHBondContact O-N 3.23Å; L980-S982 VanDerWaalsContact C-N 3.35Å; L980-S982 PolarHBondContact O-N 2.95Å; L980-A983 PolarHBondContact O-N 2.8Å; L980-L984 WeakPolarHBondContact O-CB 3.3Å; L980-L984 PolarHBondContact O-N 3.22Å; L980-W996 HydrophobicContact CB-CZ2 4Å; L980-W996 HydrophobicContact CD2-CZ2 3.82Å; L980-W996 HydrophobicContact CG-CZ2 4.47Å; L980-W996 WeakPolarHBondContact O-CZ2 3.43Å; L980-N1000 HydrophobicContact CD2-CB 3.94Å; L980-N1000 WeakPolarHBondContact CD2-OD1 3.29Å
981	L	89.2	Confident	87.4	Confident	83 Å²	83	103 Å²	103	44%	0.435	52%	0.516	S	S	.	.	H	α-helix	trans	-60.6	-43.4	179.4	-177.8	63.4	0	0	0	111.7	Y977 L984 W985	Y977-L981 HydrophobicContact CE1-CD2 4.05Å; Y977-L981 VanDerWaalsContact O-CB 3.3Å; Y977-L981 WeakPolarHBondContact O-CB 3.38Å; Y977-L981 PolarHBondContact O-N 2.76Å; L981-L984 PolarHBondContact O-N 3.44Å; L981-W985 WeakPolarHBondContact O-CB 3.15Å; L981-W985 PolarHBondContact O-N 3.16Å
982	S	86.7	Confident	87.3	Confident	82 Å²	82	102.2 Å²	102.2	57%	0.573	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-37.4	178	-167.1	0	0	0	0	112.7	K978 L980 S986	K978-S982 VanDerWaalsContact O-CB 3.29Å; K978-S982 WeakPolarHBondContact O-CB 3.28Å; K978-S982 PolarHBondContact O-N 2.9Å; L980-S982 VanDerWaalsContact C-N 3.35Å; L980-S982 PolarHBondContact O-N 2.95Å; S982-S986 PolarHBondContact O-N 2.89Å
983	A	84.3	Confident	87.4	Confident	37 Å²	37	102.8 Å²	102.8	31%	0.306	52%	0.516	S	S	.	.	H	α-helix	trans	-70.7	-39.2	176	0	0	0	0	0	111.9	K979 L980 W985 S986 I987	K979-A983 WeakPolarHBondContact O-CB 3.41Å; K979-A983 PolarHBondContact O-N 3.49Å; L980-A983 PolarHBondContact O-N 2.8Å; A983-W985 VanDerWaalsContact C-N 3.35Å; A983-S986 PolarHBondContact O-N 3.39Å; A983-S986 PolarHBondContact O-OG 2.93Å; A983-I987 WeakPolarHBondContact O-CG1 3.46Å
984	L	87.6	Confident	87.2	Confident	67 Å²	67	106.3 Å²	106.3	35%	0.351	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-40	174.8	-176.9	62	0	0	0	111.7	L980 L981 S986 I987 L993 W996	L980-L984 WeakPolarHBondContact O-CB 3.3Å; L980-L984 PolarHBondContact O-N 3.22Å; L981-L984 PolarHBondContact O-N 3.44Å; L984-S986 PolarHBondContact O-N 3.26Å; L984-I987 PolarHBondContact O-N 3.05Å; L984-I987 VanDerWaalsContact O-N 3.11Å; L984-L993 HydrophobicContact CD1-CD1 3.48Å; L984-L993 VanDerWaalsContact CD1-CD1 3.48Å; L984-W996 HydrophobicContact CB-CH2 4.3Å; L984-W996 HydrophobicContact CB-CZ2 3.91Å; L984-W996 HydrophobicContact CD1-CD2 4.33Å; L984-W996 HydrophobicContact CD1-CE3 4.09Å; L984-W996 HydrophobicContact CD1-CH2 4.36Å; L984-W996 HydrophobicContact CD1-CZ3 4.12Å; L984-W996 HydrophobicContact CD2-CH2 4.24Å
985	W	90.6	Very high	87	Confident	222 Å²	222	104.6 Å²	104.6	84%	0.841	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-24.6	179.6	-164.5	-90.3	0	0	0	113.7	L981 A983 I987	L981-W985 WeakPolarHBondContact O-CB 3.15Å; L981-W985 PolarHBondContact O-N 3.16Å; A983-W985 VanDerWaalsContact C-N 3.35Å; W985-I987 VanDerWaalsContact C-N 3.34Å
986	S	84.8	Confident	87	Confident	90 Å²	90	102.7 Å²	102.7	63%	0.629	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.2	174.8	52.7	0	0	0	0	115	S982 A983 L984	S982-S986 PolarHBondContact O-N 2.89Å; A983-S986 PolarHBondContact O-N 3.39Å; A983-S986 PolarHBondContact O-OG 2.93Å; L984-S986 PolarHBondContact O-N 3.26Å
987	I	89.4	Confident	86.9	Confident	42 Å²	42	100.5 Å²	100.5	22%	0.215	50%	0.504	C	S	.	.			trans	-100.5	108.9	-173.9	-67	170.8	0	0	0	111.2	A983 L984 W985 D989 L993 W996	A983-I987 WeakPolarHBondContact O-CG1 3.46Å; L984-I987 PolarHBondContact O-N 3.05Å; L984-I987 VanDerWaalsContact O-N 3.11Å; W985-I987 VanDerWaalsContact C-N 3.34Å; I987-D989 WeakPolarHBondContact CG2-O 3.38Å; I987-L993 HydrophobicContact CG2-CB 3.77Å; I987-L993 HydrophobicContact CG2-CD1 4.44Å; I987-W996 HydrophobicContact CD1-CB 3.51Å; I987-W996 HydrophobicContact CD1-CG 3.62Å
988	C	86.4	Confident	86.4	Confident	137 Å²	137	99.8 Å²	99.8	93%	0.926	51%	0.507	S	S	*	.			trans	-97.2	-11	176.4	-60	0	0	0	0	114
989	D	90.4	Very high	85.7	Confident	68 Å²	68	96.5 Å²	96.5	36%	0.364	50%	0.504	S	S	.	.	S	Bend	trans	-121.7	150.5	-171.9	89.8	-88.4	0	0	0	114.8	I987 S991 S992 L993	I987-D989 WeakPolarHBondContact CG2-O 3.38Å; D989-S991 VanDerWaalsContact C-N 3.29Å; D989-S991 PolarHBondContact O-N 3.49Å; D989-S991 VanDerWaalsContact OD2-CA 3.29Å; D989-S991 WeakPolarHBondContact OD2-CA 3.39Å; D989-S991 VanDerWaalsContact OD2-CB 3.25Å; D989-S991 WeakPolarHBondContact OD2-CB 3.36Å; D989-S991 PolarHBondContact OD2-N 3.4Å; D989-S991 PolarHBondContact OD2-OG 2.92Å; D989-S992 WeakPolarHBondContact OD1-CB 3.47Å; D989-S992 PolarHBondContact OD1-OG 2.98Å; D989-S992 PolarHBondContact OD2-N 3.29Å; D989-L993 WeakPolarHBondContact O-CB 3.33Å; D989-L993 PolarHBondContact O-N 3.21Å
990	K	87.7	Confident	85	Confident	169 Å²	169	92.5 Å²	92.5	74%	0.735	49%	0.49	S	S	*	.	H	α-helix	trans	-68.4	-21.5	-175.2	-171.1	172.7	-177.9	174.8	0	114	K994	K990-K994 WeakPolarHBondContact O-CG 3.44Å; K990-K994 PolarHBondContact O-N 3.25Å
991	S	87	Confident	83.4	Confident	68 Å²	68	97.9 Å²	97.9	48%	0.476	53%	0.531	S	S	.	.	H	α-helix	trans	-83	-44	179.2	81.3	0	0	0	0	111.3	D989 K994 K995	D989-S991 VanDerWaalsContact C-N 3.29Å; D989-S991 PolarHBondContact O-N 3.49Å; D989-S991 VanDerWaalsContact OD2-CA 3.29Å; D989-S991 WeakPolarHBondContact OD2-CA 3.39Å; D989-S991 VanDerWaalsContact OD2-CB 3.25Å; D989-S991 WeakPolarHBondContact OD2-CB 3.36Å; D989-S991 PolarHBondContact OD2-N 3.4Å; D989-S991 PolarHBondContact OD2-OG 2.92Å; S991-K994 PolarHBondContact O-N 3.45Å; S991-K995 WeakPolarHBondContact O-CG 3.41Å; S991-K995 PolarHBondContact O-N 2.94Å
992	S	85.7	Confident	83.1	Confident	44 Å²	44	98.6 Å²	98.6	31%	0.308	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-37.4	173.7	-57.7	0	0	0	0	111.3	D989 K994 K995 W996	D989-S992 WeakPolarHBondContact OD1-CB 3.47Å; D989-S992 PolarHBondContact OD1-OG 2.98Å; D989-S992 PolarHBondContact OD2-N 3.29Å; S992-K994 VanDerWaalsContact C-N 3.35Å; S992-K994 PolarHBondContact O-N 3.39Å; S992-K995 PolarHBondContact O-N 3.45Å; S992-W996 WeakPolarHBondContact O-CB 3.33Å; S992-W996 PolarHBondContact O-N 2.83Å
993	L	87.5	Confident	82.9	Confident	68 Å²	68	99.5 Å²	99.5	36%	0.356	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-40.3	174.7	-174.6	60.4	0	0	0	112.2	L984 I987 D989 W996 L997	L984-L993 HydrophobicContact CD1-CD1 3.48Å; L984-L993 VanDerWaalsContact CD1-CD1 3.48Å; I987-L993 HydrophobicContact CG2-CB 3.77Å; I987-L993 HydrophobicContact CG2-CD1 4.44Å; D989-L993 WeakPolarHBondContact O-CB 3.33Å; D989-L993 PolarHBondContact O-N 3.21Å; L993-W996 PolarHBondContact O-N 3.11Å; L993-L997 HydrophobicContact CG-CD1 4.3Å; L993-L997 WeakPolarHBondContact O-CB 3.49Å; L993-L997 WeakPolarHBondContact O-CG 3.42Å; L993-L997 PolarHBondContact O-N 3.28Å
994	K	84.6	Confident	82.9	Confident	133 Å²	133	102.9 Å²	102.9	58%	0.578	55%	0.547	S	S	*	.	H	α-helix	trans	-63.7	-45.5	174.1	-85.3	-171.5	169.6	-163.2	0	112.3	K990 S991 S992 L997 Q998	K990-K994 WeakPolarHBondContact O-CG 3.44Å; K990-K994 PolarHBondContact O-N 3.25Å; S991-K994 PolarHBondContact O-N 3.45Å; S992-K994 VanDerWaalsContact C-N 3.35Å; S992-K994 PolarHBondContact O-N 3.39Å; K994-L997 PolarHBondContact O-N 2.78Å; K994-Q998 WeakPolarHBondContact O-CG 3.48Å; K994-Q998 PolarHBondContact O-N 3.3Å
995	K	84.4	Confident	82.6	Confident	136 Å²	136	105.1 Å²	105.1	59%	0.591	56%	0.558	S	S	*	*	H	α-helix	trans	-59.7	-46.5	174.9	-72.1	174	177.5	176.7	0	111.3	S991 S992 L997 Q998 S999	S991-K995 WeakPolarHBondContact O-CG 3.41Å; S991-K995 PolarHBondContact O-N 2.94Å; S992-K995 PolarHBondContact O-N 3.45Å; K995-L997 PolarHBondContact O-N 3.39Å; K995-Q998 PolarHBondContact O-N 3.05Å; K995-S999 PolarHBondContact O-N 3.46Å; K995-S999 PolarHBondContact O-OG 3.04Å
996	W	85.9	Confident	82.1	Confident	51 Å²	51	97.8 Å²	97.8	19%	0.193	54%	0.541	C	S	.	.	H	α-helix	trans	-61.3	-42.6	178.9	-176.3	96.7	0	0	0	112.1	L980 L984 I987 S992 L993 S999 N1000	L980-W996 HydrophobicContact CB-CZ2 4Å; L980-W996 HydrophobicContact CD2-CZ2 3.82Å; L980-W996 HydrophobicContact CG-CZ2 4.47Å; L980-W996 WeakPolarHBondContact O-CZ2 3.43Å; L984-W996 HydrophobicContact CB-CH2 4.3Å; L984-W996 HydrophobicContact CB-CZ2 3.91Å; L984-W996 HydrophobicContact CD1-CD2 4.33Å; L984-W996 HydrophobicContact CD1-CE3 4.09Å; L984-W996 HydrophobicContact CD1-CH2 4.36Å; L984-W996 HydrophobicContact CD1-CZ3 4.12Å; L984-W996 HydrophobicContact CD2-CH2 4.24Å; I987-W996 HydrophobicContact CD1-CB 3.51Å; I987-W996 HydrophobicContact CD1-CG 3.62Å; S992-W996 WeakPolarHBondContact O-CB 3.33Å; S992-W996 PolarHBondContact O-N 2.83Å; L993-W996 PolarHBondContact O-N 3.11Å; W996-S999 PolarHBondContact O-N 3.34Å; W996-N1000 WeakPolarHBondContact O-CB 3.06Å; W996-N1000 PolarHBondContact O-N 3.31Å; W996-N1000 PolarHBondContact O-ND2 2.93Å
997	L	83.3	Confident	81.9	Confident	91 Å²	91	98.3 Å²	98.3	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-59.9	-50	172.6	-79.3	163.5	0	0	0	111.2	L993 K994 K995 S999 N1000 S1001	L993-L997 HydrophobicContact CG-CD1 4.3Å; L993-L997 WeakPolarHBondContact O-CB 3.49Å; L993-L997 WeakPolarHBondContact O-CG 3.42Å; L993-L997 PolarHBondContact O-N 3.28Å; K994-L997 PolarHBondContact O-N 2.78Å; K995-L997 PolarHBondContact O-N 3.39Å; L997-S999 VanDerWaalsContact C-N 3.27Å; L997-S999 PolarHBondContact O-N 3.33Å; L997-N1000 PolarHBondContact O-N 2.59Å; L997-N1000 VanDerWaalsContact O-N 3.16Å; L997-S1001 WeakPolarHBondContact O-CB 3.25Å; L997-S1001 PolarHBondContact O-N 2.6Å; L997-S1001 PolarHBondContact O-OG 2.77Å
998	Q	78.9	Confident	81.4	Confident	149 Å²	149	102.3 Å²	102.3	70%	0.696	56%	0.558	S	S	*	*	H	α-helix	trans	-64.3	-26	-179.7	-71.4	175.9	-51.8	0	0	114.2	K994 K995	K994-Q998 WeakPolarHBondContact O-CG 3.48Å; K994-Q998 PolarHBondContact O-N 3.3Å; K995-Q998 PolarHBondContact O-N 3.05Å
999	S	74	Confident	81	Confident	94 Å²	94	99.6 Å²	99.6	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-88.7	-8.5	176.3	-64.5	0	0	0	0	114.3	K995 W996 L997	K995-S999 PolarHBondContact O-N 3.46Å; K995-S999 PolarHBondContact O-OG 3.04Å; W996-S999 PolarHBondContact O-N 3.34Å; L997-S999 VanDerWaalsContact C-N 3.27Å; L997-S999 PolarHBondContact O-N 3.33Å
1000	N	70.9	Confident	80.2	Confident	71 Å²	71	102.3 Å²	102.3	38%	0.38	54%	0.543	S	S	.	.	H	α-helix	trans	-135.6	1.9	-171.6	-62.3	-82.8	0	0	0	115	L980 W996 L997	L980-N1000 HydrophobicContact CD2-CB 3.94Å; L980-N1000 WeakPolarHBondContact CD2-OD1 3.29Å; W996-N1000 WeakPolarHBondContact O-CB 3.06Å; W996-N1000 PolarHBondContact O-N 3.31Å; W996-N1000 PolarHBondContact O-ND2 2.93Å; L997-N1000 PolarHBondContact O-N 2.59Å; L997-N1000 VanDerWaalsContact O-N 3.16Å
1001	S	52.4	Low	79.5	Confident	153 Å²	153	96.2 Å²	96.2	100%	1.07	53%	0.526	S	S	*	.			trans	-77	0	165.6	62.1	0	0	0	0	111.4	L997	L997-S1001 WeakPolarHBondContact O-CB 3.25Å; L997-S1001 PolarHBondContact O-N 2.6Å; L997-S1001 PolarHBondContact O-OG 2.77Å

Retrieved 1,001 of 1,001 residues in 197.5 ms (Link to these results)

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