A0A087YPJ4_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087YPJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,117 aa.

						>A0A087YPJ4_POEFO|A0A087YPJ4
MGQQPGKFVGDQRRPSLPAFIKGGKRDSSRHVSQPWNVFDRHEALQRPDFEGQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFTTLAELVHHHSTVQDGLITTLHYPAPKRNKPTIYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYNLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTHGNLLDYLRECNKEEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNTFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLQRDYRMERPEGCPEKVYELMRACWRWNPSERPSFAETHQAFETMFQESSISDEVEKELGKKGKKTLGSIQQAPELPTKTRTLHKNMENRNRDSPDPVEPEVPVSSPMLPRKERPLLDNNLNEDDRLIPKDNKTRNSFLSRIKIKKKNAPAPPKRSSSFTRTDISFERRVVTPDPRDGDNFNNGTSLSLNDTTHGVESSKFLGGNNNGAGGINSGAPNYPGSLYPRKKGPPSLPSPGSKAATTPPSEEEGVSNSNRFLWASVMSNGRDGTEWKSVTLPRDLGQRHFDSSTLGGKPALPRKRTNEQKGESARRMGTLTPPPRLNTSSDVCPAFLGKDNDSSSGSSPQASTPKVVKRPGLAGQETSKTSALQAELKANVLPTLGAAGEECRPRRNKHGVENASLRERSKIHKPKPAPPPPPTGPKSGKIPRSPTQESPVSSPSSSPSDIKSKGLPFISDPHHTTAASDQVRSAFTEGPKKGPLGSKPPAIKASASATSVTTSSFCQTQGGPFSTVTSSADQNLSAFTPIAKTRSSLRKTTPRQGSERTPNSAVTREMVLEGAELLRAAISRMSEQTGSHSGVLEAGKNLSKYCMSYVDSIQQMRNKFAFREAINNLETSLRELQICPSATGGANAQQDFTKLLSSVKEISDIVQR
					

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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	29.4	Very low	31.1	Very low	252 Å²	252	142.7 Å²	142.7	100%	1.241	82%	0.817	S	S	*	*				0	129.7	0	-63.3	-174.1	-85.7	0	0	107.5
2	G	28.4	Very low	30.9	Very low	80 Å²	80	140.5 Å²	140.5	83%	0.825	79%	0.794	S	S	*	*			cis	-140.2	178.8	-6	0	0	0	0	0	110.7
3	Q	30.7	Very low	30.7	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	79%	0.793	S	S	*	*			trans	-112.2	141.8	-170	-65.8	-178.8	-9.2	0	0	114
4	Q	29.6	Very low	30.9	Very low	173 Å²	173	150 Å²	150	81%	0.808	79%	0.792	S	S	*	*			trans	61.7	178.9	138.3	-75.7	-153.8	24.7	0	0	119.2
5	P	54.6	Low	31.1	Very low	118 Å²	118	147.7 Å²	147.7	77%	0.766	79%	0.789	S	S	*	*			cis	-132.4	163.1	-1.3	31.7	-11	0	0	0	118.9
6	G	28.9	Very low	30.8	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	78%	0.782	S	S	*	*			trans	89.5	164	148	0	0	0	0	0	119.5
7	K	31.4	Very low	31.1	Very low	187 Å²	187	143.8 Å²	143.8	81%	0.813	78%	0.777	S	S	*	*			cis	-169.5	144.6	-13.8	-121.2	-169.2	-179.6	-178.2	0	111.2
8	F	26.6	Very low	31.2	Very low	173 Å²	173	142.7 Å²	142.7	76%	0.759	78%	0.778	S	S	*	*			trans	65.5	137.2	166.2	-75.4	-111.9	0	0	0	117
9	V	27.4	Very low	31.1	Very low	135 Å²	135	138.7 Å²	138.7	82%	0.818	77%	0.767	S	S	*	*			cis	91.1	126.6	39.4	169.8	0	0	0	0	112.5
10	G	27.7	Very low	30.9	Very low	62 Å²	62	141.7 Å²	141.7	64%	0.639	77%	0.772	S	S	*	*			cis	175.1	-168.5	-3.7	0	0	0	0	0	114.5
11	D	27.8	Very low	30.8	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	78%	0.777	S	S	*	*			trans	68.3	151	156.7	-72.7	3.4	0	0	0	121.4
12	Q	28.9	Very low	30.6	Very low	116 Å²	116	140.6 Å²	140.6	54%	0.542	76%	0.759	S	S	.	*			cis	-158.5	157.5	-6.5	-121.8	179	63.7	0	0	113.4
13	R	28.1	Very low	30.6	Very low	205 Å²	205	140.7 Å²	140.7	77%	0.774	76%	0.761	S	S	*	*			trans	36.5	139.2	145.5	-67.8	167.9	-153.3	169.3	11.7	120.9
14	R	32.9	Very low	30.3	Very low	209 Å²	209	136 Å²	136	79%	0.789	76%	0.761	S	S	*	*			cis	70.6	111.7	16.9	-141.4	-165.5	-148.8	-146.5	9.9	117.9
15	P	33.7	Very low	30.2	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	76%	0.764	S	S	*	*			trans	-105	127.9	143.9	-3.5	24.8	0	0	0	110
16	S	27.4	Very low	28.9	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	77%	0.768	S	S	*	*				86.8	114.9	71.2	73.1	0	0	0	0	111.3
17	L	34.9	Very low	28.7	Very low	134 Å²	134	145.5 Å²	145.5	70%	0.702	77%	0.767	S	S	*	*			cis	54.3	127	30.3	-77.9	172	0	0	0	113.3	A19	L17-A19 HydrophobicContact CD2-CB 4.43Å
18	P	33.4	Very low	28.5	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	76%	0.763	S	S	*	*				-142.3	168.3	85.8	34.9	-17.5	0	0	0	113.8
19	A	29.1	Very low	28.4	Very low	68 Å²	68	137.4 Å²	137.4	56%	0.562	76%	0.756	S	S	*	*			cis	86.7	118.3	0.3	0	0	0	0	0	120.4	L17	L17-A19 HydrophobicContact CD2-CB 4.43Å
20	F	28.2	Very low	28.5	Very low	197 Å²	197	141.6 Å²	141.6	86%	0.864	76%	0.757	S	S	*	*			trans	71.6	144.9	162.7	-73.7	-78.2	0	0	0	120.8
21	I	27.6	Very low	28.5	Very low	172 Å²	172	146 Å²	146	88%	0.882	76%	0.761	S	S	*	*				-154.3	163.6	108.6	-103.6	165.7	0	0	0	110.8
22	K	26.4	Very low	28.2	Very low	199 Å²	199	145.5 Å²	145.5	87%	0.865	76%	0.762	S	S	*	*			trans	-116.8	146.1	-173.8	-154.4	176.5	-174.2	-179.7	0	109.1
23	G	27.1	Very low	28	Very low	83 Å²	83	145.3 Å²	145.3	86%	0.856	77%	0.773	S	S	*	*			trans	-74.9	171.6	-164.8	0	0	0	0	0	118
24	G	25.1	Very low	27.7	Very low	81 Å²	81	144.1 Å²	144.1	84%	0.835	78%	0.776	S	S	*	*			trans	-153.1	161.7	175.9	0	0	0	0	0	112
25	K	27.9	Very low	28	Very low	204 Å²	204	138.2 Å²	138.2	89%	0.887	77%	0.765	S	S	*	*			trans	-93.7	162.8	-171.7	-70.1	-175.2	175.2	-175.7	0	114.5
26	R	27.1	Very low	27.5	Very low	222 Å²	222	142.9 Å²	142.9	84%	0.838	77%	0.768	S	S	*	*			trans	113	141.3	162.4	-69.3	-168.4	-98.2	-165.7	-4.9	114
27	D	24	Very low	27.3	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	77%	0.768	S	S	*	*			cis	-151.9	173.7	-5.9	-106.6	-29.4	0	0	0	112.7
28	S	26.8	Very low	26.8	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	76%	0.764	S	S	*	*			trans	-25.1	161.3	174.9	70.8	0	0	0	0	120.1
29	S	25.6	Very low	26.4	Very low	85 Å²	85	145.9 Å²	145.9	59%	0.594	77%	0.765	S	S	*	*			cis	-171.3	173.2	39.3	65.6	0	0	0	0	115
30	R	28.5	Very low	26.3	Very low	222 Å²	222	148.9 Å²	148.9	84%	0.838	77%	0.772	S	S	*	*			trans	72.1	142.1	164.2	-61.6	170	-160.2	-150.6	0.5	116.6
31	H	27.6	Very low	26.1	Very low	156 Å²	156	149 Å²	149	72%	0.722	77%	0.767	S	S	*	*			cis	-144.2	127.4	-5.7	-114.4	-76.4	0	0	0	106.1
32	V	22.8	Very low	26.1	Very low	129 Å²	129	148.9 Å²	148.9	78%	0.782	76%	0.762	S	S	*	*				36.7	110.6	88.2	-173	0	0	0	0	112.1
33	S	24.6	Very low	26.2	Very low	111 Å²	111	149 Å²	149	78%	0.776	77%	0.766	S	S	*	*				-152.8	141.7	66.8	55.9	0	0	0	0	117.4
34	Q	21.8	Very low	26.2	Very low	180 Å²	180	149.4 Å²	149.4	84%	0.841	76%	0.761	S	S	*	*			trans	-76.4	-168.6	152.9	-85.7	-168.8	-16	0	0	109.8
35	P	37.3	Very low	26.4	Very low	85 Å²	85	154.1 Å²	154.1	55%	0.552	77%	0.766	S	S	*	*			cis	-158.4	176.8	24.5	41.5	-16.4	0	0	0	122.5
36	W	23.3	Very low	26.3	Very low	214 Å²	214	153.3 Å²	153.3	81%	0.811	77%	0.766	S	S	*	*			trans	65.3	151.2	159.8	-42.7	125.8	0	0	0	118.7
37	N	24.7	Very low	26.3	Very low	124 Å²	124	153.5 Å²	153.5	66%	0.663	77%	0.767	S	S	*	*			cis	-159.9	144.9	-15.5	-113.9	-13.4	0	0	0	114.3
38	V	23.3	Very low	26.6	Very low	104 Å²	104	153.2 Å²	153.2	63%	0.63	77%	0.772	S	S	*	*			trans	40.6	118.7	140.7	-174.7	0	0	0	0	121.4
39	F	24.6	Very low	26.5	Very low	187 Å²	187	155.4 Å²	155.4	82%	0.82	78%	0.775	S	S	*	*				-170.7	128.8	107.7	-109.7	-69.9	0	0	0	115.7
40	D	26.9	Very low	26.6	Very low	131 Å²	131	161.6 Å²	161.6	70%	0.701	79%	0.792	S	S	*	*			trans	57.8	150.4	150.3	-120.3	-28.5	0	0	0	127.3
41	R	25.4	Very low	26.6	Very low	200 Å²	200	159.7 Å²	159.7	76%	0.755	79%	0.793	S	S	*	*			trans	66.1	103.3	156.6	-64.1	-161.2	169.9	-171	-5.1	123.9
42	H	27.8	Very low	26.7	Very low	170 Å²	170	155.7 Å²	155.7	79%	0.787	79%	0.794	S	S	*	*			trans	63.4	99.5	132.4	-65.4	-64.2	0	0	0	120.8
43	E	26.9	Very low	27	Very low	200 Å²	200	159.2 Å²	159.2	94%	0.935	80%	0.802	S	S	*	*			trans	-107	160.1	149.7	-77.8	-170.3	122.9	0	0	111.8
44	A	27.6	Very low	27.1	Very low	93 Å²	93	157 Å²	157	77%	0.769	80%	0.797	S	S	*	*			trans	-102	138.2	-178.1	0	0	0	0	0	112.4	Q46	A44-Q46 PolarHBondContact O-N 3.1Å; A44-Q46 VanDerWaalsContact O-N 3.1Å
45	L	29.5	Very low	27.6	Very low	179 Å²	179	156.5 Å²	156.5	94%	0.937	80%	0.799	S	S	*	*			trans	-70.9	103.1	-179.6	-80.6	161.8	0	0	0	112.2
46	Q	27.2	Very low	27.4	Very low	187 Å²	187	156.5 Å²	156.5	87%	0.874	80%	0.801	S	S	*	*			trans	-64	152.4	164.1	-68.9	176.9	-16.4	0	0	111.3	A44	A44-Q46 PolarHBondContact O-N 3.1Å; A44-Q46 VanDerWaalsContact O-N 3.1Å
47	R	26.5	Very low	28	Very low	227 Å²	227	154.6 Å²	154.6	86%	0.857	80%	0.801	S	S	*	*			trans	-105.1	148.1	162.5	-70.8	179	178	146.9	-0.6	107.9	D49	R47-D49 PolarHBondContact O-N 3.41Å
48	P	29.7	Very low	28.6	Very low	129 Å²	129	153.1 Å²	153.1	84%	0.838	81%	0.806	S	S	*	*			trans	-70.5	127	-176.7	28.4	-34.3	0	0	0	111.3
49	D	24.8	Very low	29.8	Very low	150 Å²	150	151.1 Å²	151.1	80%	0.802	80%	0.8	S	S	*	*			trans	-70.5	148.5	169.2	-74.9	-58.6	0	0	0	111.5	R47	R47-D49 PolarHBondContact O-N 3.41Å
50	F	28.2	Very low	30.8	Very low	215 Å²	215	150 Å²	150	94%	0.943	79%	0.791	S	S	*	*			trans	-90.9	97.9	165.2	-109.2	-98.6	0	0	0	108.2	G52	F50-G52 PolarHBondContact O-N 3.16Å; F50-G52 VanDerWaalsContact O-N 3.16Å
51	E	27.6	Very low	32.2	Very low	182 Å²	182	145.8 Å²	145.8	85%	0.85	77%	0.765	S	S	*	*			trans	-60.9	116	177.3	-67.5	-173.2	131.7	0	0	111.3
52	G	29.8	Very low	33.6	Very low	73 Å²	73	141.5 Å²	141.5	75%	0.753	76%	0.757	S	S	*	*			trans	-69.7	125.8	163.1	0	0	0	0	0	109.5	F50 G54	F50-G52 PolarHBondContact O-N 3.16Å; F50-G52 VanDerWaalsContact O-N 3.16Å; G52-G54 PolarHBondContact O-N 3.4Å
53	Q	30.2	Very low	34.8	Very low	202 Å²	202	134 Å²	134	94%	0.944	72%	0.724	S	S	*	*			trans	-67.3	96	-171.6	-67.3	-175.4	-82.6	0	0	113.1
54	G	25.9	Very low	35.8	Very low	66 Å²	66	131.8 Å²	131.8	68%	0.68	71%	0.711	S	S	*	*			trans	44.3	84.1	146.5	0	0	0	0	0	118.3	G52 S56	G52-G54 PolarHBondContact O-N 3.4Å; G54-S56 PolarHBondContact O-N 3.14Å
55	L	33	Very low	37	Very low	168 Å²	168	135.1 Å²	135.1	88%	0.88	71%	0.711	S	S	*	*			trans	-66.9	111.3	138.3	-73.1	176.5	0	0	0	106.9
56	S	33.1	Very low	38	Very low	85 Å²	85	129.9 Å²	129.9	59%	0.594	68%	0.684	S	S	*	*			trans	-68.3	156.3	-174.8	64.1	0	0	0	0	112.4	G54 A58 A59	G54-S56 PolarHBondContact O-N 3.14Å; S56-A58 PolarHBondContact O-N 3.39Å; S56-A59 PolarHBondContact O-N 3.08Å
57	E	35.6	Very low	39.2	Very low	175 Å²	175	124.3 Å²	124.3	82%	0.818	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-53.7	-21.1	-178.2	-164.6	169.1	-169.8	0	0	114.1	A59 R60	E57-A59 PolarHBondContact O-N 3.37Å; E57-R60 PolarHBondContact O-N 2.59Å; E57-R60 VanDerWaalsContact O-N 3.17Å
58	A	37.4	Very low	40.2	Very low	92 Å²	92	120 Å²	120	76%	0.76	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-59.4	-9.8	177.3	0	0	0	0	0	115.8	S56	S56-A58 PolarHBondContact O-N 3.39Å
59	A	47.5	Very low	41.1	Very low	62 Å²	62	116.5 Å²	116.5	51%	0.512	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-78.3	-21.2	174.6	0	0	0	0	0	113.9	S56 E57 Y228	S56-A59 PolarHBondContact O-N 3.08Å; E57-A59 PolarHBondContact O-N 3.37Å; A59-Y228 HydrophobicContact CB-CD1 4.44Å; A59-Y228 HydrophobicContact CB-CE1 4.46Å; A59-Y228 WeakPolarHBondContact O-CD1 3.41Å
60	R	45.6	Very low	42	Very low	164 Å²	164	110.8 Å²	110.8	62%	0.619	61%	0.612	S	S	*	*	S	Bend	trans	-81.1	124	-175.1	-169.9	179.8	-172	179.7	3.8	110.8	E57 N62	E57-R60 PolarHBondContact O-N 2.59Å; E57-R60 VanDerWaalsContact O-N 3.17Å; R60-N62 PolarHBondContact O-N 2.87Å
61	W	56.5	Low	42.8	Very low	43 Å²	43	106.3 Å²	106.3	16%	0.163	60%	0.604	C	S	.	*	P	Polyproline II helix	trans	-70.3	120.6	177.2	-178.8	70.8	0	0	0	111.2	W140 V212 H213 H227 P229	W61-W140 AromaticContact CE2-NE1 3.94Å; W61-W140 AromaticContact CZ2-NE1 3.71Å; W61-V212 HydrophobicContact CH2-CG1 4.33Å; W61-V212 HydrophobicContact CZ3-CG1 4.24Å; W61-H213 HydrophobicContact CH2-CB 4.21Å; W61-H213 HydrophobicContact CZ3-CB 4.36Å; W61-H227 PolarHBondContact N-O 3.13Å; W61-P229 HydrophobicContact CB-CG 3.95Å; W61-P229 HydrophobicContact CG-CG 4.17Å
62	N	54.7	Low	43.8	Very low	110 Å²	110	103 Å²	103	59%	0.588	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-100.7	119.4	172.4	-169.2	-19.7	0	0	0	109.4	R60 K64	R60-N62 PolarHBondContact O-N 2.87Å; N62-K64 PolarHBondContact OD1-N 3.26Å
63	S	53.3	Low	45.1	Very low	12 Å²	12	101.2 Å²	101.2	8%	0.084	57%	0.573	C	S	.	*			trans	-75.4	-26.2	-171.8	60.4	0	0	0	0	114.4	E65 N66 H213	S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 PolarHBondContact O-N 2.87Å; S63-E65 VanDerWaalsContact O-N 3.1Å; S63-N66 PolarHBondContact O-N 2.93Å; S63-N66 VanDerWaalsContact O-N 3.07Å; S63-H213 VanDerWaalsContact CB-CG 3.47Å; S63-H213 VanDerWaalsContact CB-ND1 3.33Å; S63-H213 WeakPolarHBondContact CB-ND1 3.08Å; S63-H213 PolarHBondContact OG-CE1 3.04Å; S63-H213 PolarHBondContact OG-ND1 2.7Å; S63-H213 VanDerWaalsContact OG-ND1 3.09Å; S63-H213 PolarHBondContact OG-NE2 2.98Å; S63-H213 VanDerWaalsContact OG-NE2 3.12Å
64	K	48.3	Very low	46.3	Very low	154 Å²	154	97.2 Å²	97.2	67%	0.67	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-25.5	-154.6	-162.4	170.4	-176.3	177.1	0	114.3	N62	N62-K64 PolarHBondContact OD1-N 3.26Å
65	E	52	Low	48.4	Very low	162 Å²	162	96 Å²	96	76%	0.757	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-26.6	-179.8	-64.1	173.3	-167.2	0	0	113.1	S63	S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 PolarHBondContact O-N 2.87Å; S63-E65 VanDerWaalsContact O-N 3.1Å
66	N	50.9	Low	50.2	Low	70 Å²	70	92.7 Å²	92.7	37%	0.374	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.4	-173.8	-85	-101.4	0	0	0	114.1	S63	S63-N66 PolarHBondContact O-N 2.93Å; S63-N66 VanDerWaalsContact O-N 3.07Å
67	L	53.8	Low	52.2	Low	70 Å²	70	93 Å²	93	37%	0.366	52%	0.519	S	S	.	.	S	Bend	trans	-89.5	-7.7	177.7	-65.9	169.4	0	0	0	113.2	A209 E210 H213	L67-A209 HydrophobicContact CD2-CB 4.19Å; L67-E210 HydrophobicContact CD2-CG 4.28Å; L67-H213 HydrophobicContact CD1-CB 4.17Å; L67-H213 WeakPolarHBondContact CD1-CD2 3.43Å
68	L	46.7	Very low	54.8	Low	136 Å²	136	86.3 Å²	86.3	71%	0.712	49%	0.489	S	S	*	.			trans	-109.8	28.6	-177.1	-62.2	176.4	0	0	0	112.4	G70	L68-G70 PolarHBondContact O-N 2.93Å
69	A	48.7	Very low	57.4	Low	55 Å²	55	83 Å²	83	46%	0.455	46%	0.457	S	S	.	.			trans	-61.1	106.1	173.4	0	0	0	0	0	110.2
70	G	44.3	Very low	59.5	Low	31 Å²	31	81 Å²	81	32%	0.32	44%	0.439	S	S	.	.			trans	-70.6	165.7	-174.6	0	0	0	0	0	113.6	L68 S72 E73	L68-G70 PolarHBondContact O-N 2.93Å; G70-S72 PolarHBondContact O-N 3.13Å; G70-E73 PolarHBondContact O-N 2.86Å; G70-E73 VanDerWaalsContact O-N 3.15Å
71	P	44.8	Very low	61.8	Low	120 Å²	120	73.4 Å²	73.4	78%	0.779	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-58.8	-8.4	-176.6	-26.5	35.8	0	0	0	116.4	E73 N74	P71-E73 VanDerWaalsContact C-N 3.34Å; P71-N74 PolarHBondContact O-ND2 3.12Å
72	S	48.7	Very low	63.4	Low	112 Å²	112	72.6 Å²	72.6	78%	0.783	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-78.3	-6.7	176.3	49.3	0	0	0	0	114.9	G70 N74	G70-S72 PolarHBondContact O-N 3.13Å; S72-N74 VanDerWaalsContact C-N 3.28Å; S72-N74 PolarHBondContact O-N 3.39Å
73	E	55.6	Low	65.2	Low	37 Å²	37	69 Å²	69	17%	0.173	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-84.4	4.8	174.9	-55.7	-146.7	135.3	0	0	114	G70 P71 D75 K100 V132 N133	G70-E73 PolarHBondContact O-N 2.86Å; G70-E73 VanDerWaalsContact O-N 3.15Å; P71-E73 VanDerWaalsContact C-N 3.34Å; E73-D75 VanDerWaalsContact C-N 3.29Å; E73-D75 PolarHBondContact O-N 3.39Å; E73-K100 IonicContact OE1-NZ 2.66Å; E73-K100 PolarHBondContact OE1-NZ 3.18Å; E73-V132 HydrophobicContact CB-CG1 3.97Å; E73-V132 HydrophobicContact CG-CG1 4.28Å; E73-V132 WeakPolarHBondContact OE2-CG1 3.22Å; E73-N133 PolarHBondContact O-ND2 2.81Å
74	N	55.7	Low	67.1	Low	118 Å²	118	71.7 Å²	71.7	63%	0.631	40%	0.402	S	S	*	.			trans	-82.1	14.6	-176.2	-71.1	-63	0	0	0	115.6	P71 S72 P76	P71-N74 PolarHBondContact O-ND2 3.12Å; S72-N74 VanDerWaalsContact C-N 3.28Å; S72-N74 PolarHBondContact O-N 3.39Å; N74-P76 VanDerWaalsContact O-CD 3.3Å; N74-P76 WeakPolarHBondContact O-CD 3.35Å
75	D	70.1	Confident	69.1	Low	40 Å²	40	65.1 Å²	65.1	21%	0.214	37%	0.373	C	S	.	.			trans	-75.9	111.7	169.2	176.6	5.4	0	0	0	109.4	E73 N77 L78 R102	E73-D75 VanDerWaalsContact C-N 3.29Å; E73-D75 PolarHBondContact O-N 3.39Å; D75-N77 PolarHBondContact O-N 2.95Å; D75-N77 WeakPolarHBondContact OD1-CB 3.43Å; D75-N77 PolarHBondContact OD1-N 3.37Å; D75-L78 HydrophobicContact CB-CB 3.88Å; D75-L78 WeakPolarHBondContact O-CB 3.27Å; D75-L78 PolarHBondContact O-N 3.3Å; D75-L78 VanDerWaalsContact O-N 3.09Å; D75-R102 IonicContact OD2-CZ 3.27Å; D75-R102 IonicContact OD2-NE 2.88Å; D75-R102 PolarHBondContact OD2-NE 2.75Å; D75-R102 IonicContact OD2-NH2 2.72Å; D75-R102 PolarHBondContact OD2-NH2 3.18Å
76	P	70.1	Confident	70.9	Confident	99 Å²	99	62.5 Å²	62.5	64%	0.643	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	-177.7	30.3	-36.6	0	0	0	113	N74	N74-P76 VanDerWaalsContact O-CD 3.3Å; N74-P76 WeakPolarHBondContact O-CD 3.35Å
77	N	75.8	Confident	72.6	Confident	90 Å²	90	61.1 Å²	61.1	48%	0.481	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.8	177.8	-60.9	-24.2	0	0	0	112.5	D75 R102 V103	D75-N77 PolarHBondContact O-N 2.95Å; D75-N77 WeakPolarHBondContact OD1-CB 3.43Å; D75-N77 PolarHBondContact OD1-N 3.37Å; N77-R102 HydrophobicContact CB-CG 4.33Å; N77-R102 WeakPolarHBondContact O-CA 3.46Å; N77-V103 PolarHBondContact O-N 3.09Å
78	L	89.5	Confident	73.6	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.4	177.7	-169.7	69.4	0	0	0	111.2	D75 K100 V132	D75-L78 HydrophobicContact CB-CB 3.88Å; D75-L78 WeakPolarHBondContact O-CB 3.27Å; D75-L78 PolarHBondContact O-N 3.3Å; D75-L78 VanDerWaalsContact O-N 3.09Å; L78-K100 HydrophobicContact CD1-CB 4.39Å; L78-K100 HydrophobicContact CD2-CD 4.43Å; L78-V132 HydrophobicContact CB-CG2 4.43Å; L78-V132 HydrophobicContact CD2-CG2 4.11Å; L78-V132 HydrophobicContact CG-CG2 3.88Å; L78-V132 WeakPolarHBondContact O-CG2 3.49Å; L78-V132 PolarHBondContact O-N 3.38Å
79	F	93	Very high	75	Confident	22 Å²	22	53.5 Å²	53.5	10%	0.096	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	162.1	-177.3	-75.1	-118	0	0	0	110.5	K100 L101 V103 I129 T130 P131	F79-K100 WeakPolarHBondContact O-CA 3.42Å; F79-L101 HydrophobicContact CB-CD1 3.68Å; F79-L101 HydrophobicContact CB-CG 4.12Å; F79-L101 PolarHBondContact N-O 3.26Å; F79-L101 PolarHBondContact O-N 3.15Å; F79-V103 HydrophobicContact CB-CG2 4.45Å; F79-V103 HydrophobicContact CD1-CG2 4.11Å; F79-V103 HydrophobicContact CD2-CB 4.24Å; F79-V103 HydrophobicContact CD2-CG2 3.59Å; F79-V103 HydrophobicContact CE1-CG2 4.22Å; F79-V103 HydrophobicContact CE2-CB 4.11Å; F79-V103 HydrophobicContact CE2-CG2 3.74Å; F79-V103 HydrophobicContact CG-CG2 3.81Å; F79-V103 HydrophobicContact CZ-CG2 4.06Å; F79-I129 HydrophobicContact CB-CB 4.46Å; F79-I129 HydrophobicContact CB-CD1 4.22Å; F79-I129 HydrophobicContact CD1-CB 4.26Å; F79-I129 HydrophobicContact CD1-CD1 3.55Å; F79-I129 HydrophobicContact CD1-CG1 3.82Å; F79-I129 HydrophobicContact CE1-CD1 4.13Å; F79-I129 HydrophobicContact CE1-CG1 4.44Å; F79-I129 HydrophobicContact CG-CD1 4.05Å; F79-T130 CarbonylContact C-O 3.57Å; F79-T130 WeakPolarHBondContact CA-O 3.3Å; F79-T130 WeakPolarHBondContact CB-O 3.16Å; F79-P131 HydrophobicContact CD1-CG 4.22Å; F79-P131 HydrophobicContact CE1-CG 3.72Å; F79-P131 HydrophobicContact CE2-CG 4.44Å; F79-P131 HydrophobicContact CZ-CG 3.84Å
80	V	92.4	Very high	76.6	Confident	22 Å²	22	57.8 Å²	57.8	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139	172.3	62.4	0	0	0	0	110.2	E99 I129 T130 V132 K137	V80-E99 WeakPolarHBondContact CA-O 3.36Å; V80-I129 WeakPolarHBondContact O-CA 3.45Å; V80-T130 HydrophobicContact CG1-CG2 3.79Å; V80-T130 PolarHBondContact N-O 3.43Å; V80-T130 PolarHBondContact O-N 2.83Å; V80-V132 HydrophobicContact CB-CG2 4.23Å; V80-V132 HydrophobicContact CG1-CG2 4.49Å; V80-K137 HydrophobicContact CG1-CB 4.07Å
81	A	93.6	Very high	78.7	Confident	3 Å²	3	59 Å²	59	3%	0.025	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.8	176.5	0	0	0	0	0	111.9	I95 T96 G98 E99 L101	A81-I95 HydrophobicContact CB-CD1 4.03Å; A81-T96 VanDerWaalsContact CB-O 3.27Å; A81-T96 WeakPolarHBondContact CB-O 3.25Å; A81-G98 PolarHBondContact O-N 3.32Å; A81-E99 PolarHBondContact N-O 3.37Å; A81-L101 HydrophobicContact CB-CD2 4.13Å
82	L	90.4	Very high	80.9	Confident	27 Å²	27	54 Å²	54	14%	0.141	31%	0.314	C	S	.	.	S	Bend	trans	-87.3	-27.4	177.8	-66.4	179.9	0	0	0	113.2	K97 Y128 T130 E136	L82-K97 VanDerWaalsContact O-CD 3.27Å; L82-K97 WeakPolarHBondContact O-CD 3.46Å; L82-K97 WeakPolarHBondContact O-CE 3.22Å; L82-K97 WeakPolarHBondContact O-CG 3.48Å; L82-Y128 PolarHBondContact N-O 3.2Å; L82-T130 HydrophobicContact CD1-CG2 4.13Å; L82-T130 HydrophobicContact CD2-CG2 3.68Å; L82-T130 HydrophobicContact CG-CG2 3.92Å; L82-E136 HydrophobicContact CD1-CB 4.41Å; L82-E136 WeakPolarHBondContact CD2-O 3.36Å
83	Y	91.4	Very high	83.1	Confident	33 Å²	33	49.4 Å²	49.4	13%	0.129	28%	0.281	C	S	.	.	S	Bend	trans	-142.4	150.4	-176.1	-51.8	-87.9	0	0	0	110.1	Y128 K232 K235 P236	Y83-Y128 HydrophobicContact CD2-CG 4.49Å; Y83-K232 HydrophobicContact CE1-CB 4.13Å; Y83-K235 HydrophobicContact CD1-CG 4.18Å; Y83-P236 HydrophobicContact CD2-CG 4.03Å; Y83-P236 VanDerWaalsContact CE2-CD 3.42Å; Y83-P236 HydrophobicContact CE2-CG 3.61Å
84	D	92.3	Very high	84.9	Confident	70 Å²	70	50.4 Å²	50.4	37%	0.374	29%	0.292	S	S	.	.			trans	-69.8	133.6	172.5	-43.3	-67.8	0	0	0	110.4	I95 K97 K235	D84-I95 WeakPolarHBondContact CA-O 3.45Å; D84-K97 WeakPolarHBondContact OD1-CB 3.44Å; D84-K97 PolarHBondContact OD1-N 2.88Å; D84-K235 PolarHBondContact O-NZ 3.02Å
85	F	91.6	Very high	86.8	Confident	15 Å²	15	45 Å²	45	7%	0.066	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-127.6	134.4	172.3	169.7	-97.5	0	0	0	109.2	L93 S94 I95 W112 V124 P125 Y128 I238	F85-L93 WeakPolarHBondContact CD1-O 3.41Å; F85-L93 WeakPolarHBondContact CE1-O 3.29Å; F85-S94 CarbonylContact O-C 3.59Å; F85-S94 VanDerWaalsContact O-CA 3.29Å; F85-S94 WeakPolarHBondContact O-CA 3.38Å; F85-I95 HydrophobicContact CB-CD1 4.44Å; F85-I95 HydrophobicContact CB-CG1 3.85Å; F85-I95 HydrophobicContact CD1-CG1 4.49Å; F85-I95 PolarHBondContact N-O 3.44Å; F85-I95 PolarHBondContact O-N 3.46Å; F85-W112 HydrophobicContact CE1-CZ3 4.35Å; F85-W112 HydrophobicContact CE2-CH2 4.09Å; F85-W112 HydrophobicContact CE2-CZ3 4.28Å; F85-W112 AromaticContact CZ-CH2 3.82Å; F85-W112 HydrophobicContact CZ-CH2 3.82Å; F85-W112 AromaticContact CZ-CZ3 3.71Å; F85-W112 HydrophobicContact CZ-CZ3 3.71Å; F85-V124 HydrophobicContact CD1-CG1 4.45Å; F85-P125 HydrophobicContact CD2-CG 3.85Å; F85-P125 HydrophobicContact CE2-CG 3.87Å; F85-P125 HydrophobicContact CG-CG 4.37Å; F85-P125 HydrophobicContact CZ-CG 4.41Å; F85-Y128 HydrophobicContact CB-CD1 3.75Å; F85-Y128 HydrophobicContact CB-CE1 4.03Å; F85-Y128 HydrophobicContact CD2-CE1 4.35Å; F85-I238 HydrophobicContact CD2-CD1 4.15Å; F85-I238 HydrophobicContact CE2-CD1 4.04Å
86	V	89.6	Confident	87.9	Confident	108 Å²	108	47.1 Å²	47.1	66%	0.655	28%	0.277	S	S	*	.			trans	-105.3	129.7	179.8	-178.8	0	0	0	0	107.8	S88	V86-S88 PolarHBondContact O-N 2.84Å; V86-S88 PolarHBondContact O-OG 3.17Å
87	A	86.2	Confident	88.9	Confident	40 Å²	40	48.2 Å²	48.2	33%	0.331	27%	0.272	S	S	.	.			trans	-52.5	128.4	176.4	0	0	0	0	0	111	T92 S94	A87-T92 WeakPolarHBondContact CA-OG1 3.5Å; A87-T92 VanDerWaalsContact CB-O 3.31Å; A87-T92 WeakPolarHBondContact CB-O 3.4Å; A87-S94 WeakPolarHBondContact CB-OG 3.43Å; A87-S94 PolarHBondContact N-OG 3.03Å
88	S	75.4	Confident	89.5	Confident	34 Å²	34	46.2 Å²	46.2	24%	0.238	27%	0.273	C	S	.	.			trans	-111.8	-61.6	177.6	-59.8	0	0	0	0	109.8	V86 T92 Y277	V86-S88 PolarHBondContact O-N 2.84Å; V86-S88 PolarHBondContact O-OG 3.17Å; S88-T92 PolarHBondContact N-OG1 3.07Å; S88-Y277 VanDerWaalsContact C-CE1 3.41Å; S88-Y277 WeakPolarHBondContact O-CE1 3.37Å
89	G	75.1	Confident	89.7	Confident	13 Å²	13	46 Å²	46	13%	0.134	27%	0.271	C	S	.	.	S	Bend	trans	-75.1	152.2	172.3	0	0	0	0	0	112.5	N91 T92	G89-N91 PolarHBondContact O-N 3.04Å; G89-T92 PolarHBondContact N-OG1 3.45Å; G89-T92 PolarHBondContact O-N 3.03Å; G89-T92 PolarHBondContact O-OG1 2.8Å
90	D	82.6	Confident	89.7	Confident	144 Å²	144	49.8 Å²	49.8	77%	0.77	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.7	-178.5	-43.7	-36.1	0	0	0	113.3	K276	D90-K276 VanDerWaalsContact OD1-CE 3.27Å; D90-K276 WeakPolarHBondContact OD1-CE 3.34Å; D90-K276 IonicContact OD1-NZ 3.39Å; D90-K276 PolarHBondContact OD1-NZ 3.15Å; D90-K276 IonicContact OD2-NZ 3.56Å; D90-K276 PolarHBondContact OD2-NZ 2.84Å
91	N	88.1	Confident	89.7	Confident	58 Å²	58	48.8 Å²	48.8	31%	0.31	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.3	175.4	65.3	-29.9	0	0	0	113.7	G89 W123	G89-N91 PolarHBondContact O-N 3.04Å; N91-W123 VanDerWaalsContact O-CD1 3.3Å; N91-W123 PolarHBondContact O-N 3.09Å
92	T	91.5	Very high	89.8	Confident	13 Å²	13	54.3 Å²	54.3	8%	0.08	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-97.5	149.7	179.3	64	0	0	0	0	111.4	A87 S88 G89 W112 W123	A87-T92 WeakPolarHBondContact CA-OG1 3.5Å; A87-T92 VanDerWaalsContact CB-O 3.31Å; A87-T92 WeakPolarHBondContact CB-O 3.4Å; S88-T92 PolarHBondContact N-OG1 3.07Å; G89-T92 PolarHBondContact N-OG1 3.45Å; G89-T92 PolarHBondContact O-N 3.03Å; G89-T92 PolarHBondContact O-OG1 2.8Å; T92-W112 HydrophobicContact CG2-CH2 4.27Å; T92-W112 HydrophobicContact CG2-CZ3 3.86Å; T92-W123 CarbonylContact C-O 3.56Å; T92-W123 WeakPolarHBondContact CA-O 3.33Å; T92-W123 VanDerWaalsContact CB-O 3.32Å; T92-W123 WeakPolarHBondContact CB-O 3.41Å; T92-W123 HydrophobicContact CG2-CB 4.29Å
93	L	94.3	Very high	90	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.089	30%	0.3	C	S	.	.			trans	-110.4	126.9	-173.4	177.3	63.6	0	0	0	110.7	F85 I95 A115 T117 W123 V124	F85-L93 WeakPolarHBondContact CD1-O 3.41Å; F85-L93 WeakPolarHBondContact CE1-O 3.29Å; L93-I95 HydrophobicContact CD2-CG2 4.38Å; L93-I95 HydrophobicContact CG-CG2 4.24Å; L93-A115 WeakPolarHBondContact CD2-O 3.49Å; L93-T117 HydrophobicContact CD2-CG2 3.87Å; L93-W123 PolarHBondContact N-O 2.99Å; L93-V124 HydrophobicContact CB-CG1 3.95Å; L93-V124 WeakPolarHBondContact O-CG1 3.38Å
94	S	94.2	Very high	90	Very high	57 Å²	57	56.3 Å²	56.3	40%	0.399	32%	0.315	S	S	.	.			trans	-68.6	134.6	170.1	-63.3	0	0	0	0	110.3	F85 A87	F85-S94 CarbonylContact O-C 3.59Å; F85-S94 VanDerWaalsContact O-CA 3.29Å; F85-S94 WeakPolarHBondContact O-CA 3.38Å; A87-S94 WeakPolarHBondContact CB-OG 3.43Å; A87-S94 PolarHBondContact N-OG 3.03Å
95	I	95.1	Very high	90	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-134.7	142.5	177.2	56.6	169.7	0	0	0	111.1	A81 D84 F85 L93 E99 L101 T117 V124 I129	A81-I95 HydrophobicContact CB-CD1 4.03Å; D84-I95 WeakPolarHBondContact CA-O 3.45Å; F85-I95 HydrophobicContact CB-CD1 4.44Å; F85-I95 HydrophobicContact CB-CG1 3.85Å; F85-I95 HydrophobicContact CD1-CG1 4.49Å; F85-I95 PolarHBondContact N-O 3.44Å; F85-I95 PolarHBondContact O-N 3.46Å; L93-I95 HydrophobicContact CD2-CG2 4.38Å; L93-I95 HydrophobicContact CG-CG2 4.24Å; I95-E99 WeakPolarHBondContact CA-OE2 3.32Å; I95-L101 HydrophobicContact CD1-CD2 4.29Å; I95-L101 HydrophobicContact CG2-CD2 4.4Å; I95-T117 HydrophobicContact CG2-CG2 3.95Å; I95-V124 HydrophobicContact CD1-CB 4.14Å; I95-V124 HydrophobicContact CD1-CG1 4.1Å; I95-V124 HydrophobicContact CD1-CG2 4.45Å; I95-V124 HydrophobicContact CG1-CG1 4.35Å; I95-V124 HydrophobicContact CG2-CG1 3.94Å; I95-I129 HydrophobicContact CD1-CG2 3.82Å
96	T	94.4	Very high	90.2	Very high	86 Å²	86	59.6 Å²	59.6	53%	0.528	33%	0.331	S	S	.	.			trans	-100.8	142.7	179	-47.2	0	0	0	0	110.5	A81 G98 E99	A81-T96 VanDerWaalsContact CB-O 3.27Å; A81-T96 WeakPolarHBondContact CB-O 3.25Å; T96-G98 PolarHBondContact O-N 2.65Å; T96-E99 PolarHBondContact N-OE2 2.94Å; T96-E99 WeakPolarHBondContact O-CB 3.27Å; T96-E99 PolarHBondContact O-N 3.05Å
97	K	91.3	Very high	90.3	Very high	121 Å²	121	55.4 Å²	55.4	53%	0.526	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	130.8	175.5	-179.6	171.4	-177.1	170.1	0	111.8	L82 D84 E99	L82-K97 VanDerWaalsContact O-CD 3.27Å; L82-K97 WeakPolarHBondContact O-CD 3.46Å; L82-K97 WeakPolarHBondContact O-CE 3.22Å; L82-K97 WeakPolarHBondContact O-CG 3.48Å; D84-K97 WeakPolarHBondContact OD1-CB 3.44Å; D84-K97 PolarHBondContact OD1-N 2.88Å; K97-E99 VanDerWaalsContact C-N 3.31Å
98	G	88.5	Confident	90.5	Very high	49 Å²	49	58.8 Å²	58.8	51%	0.505	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-7	-173.9	0	0	0	0	0	114.9	A81 T96	A81-G98 PolarHBondContact O-N 3.32Å; T96-G98 PolarHBondContact O-N 2.65Å
99	E	92.9	Very high	91.1	Very high	31 Å²	31	60.2 Å²	60.2	15%	0.145	32%	0.318	C	S	.	.			trans	-65.7	133.9	173.7	-171.7	171	-176.9	0	0	110.8	V80 A81 I95 T96 K97 T117 N119	V80-E99 WeakPolarHBondContact CA-O 3.36Å; A81-E99 PolarHBondContact N-O 3.37Å; I95-E99 WeakPolarHBondContact CA-OE2 3.32Å; T96-E99 PolarHBondContact N-OE2 2.94Å; T96-E99 WeakPolarHBondContact O-CB 3.27Å; T96-E99 PolarHBondContact O-N 3.05Å; K97-E99 VanDerWaalsContact C-N 3.31Å; E99-T117 HydrophobicContact CG-CG2 4.37Å; E99-T117 VanDerWaalsContact OE1-CB 3.26Å; E99-T117 WeakPolarHBondContact OE1-CB 3.33Å; E99-T117 WeakPolarHBondContact OE1-CG2 3.47Å; E99-N119 PolarHBondContact OE1-ND2 2.95Å
100	K	92.2	Very high	91.8	Very high	100 Å²	100	61.2 Å²	61.2	44%	0.435	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.4	174.6	-73.6	-177.5	173.3	-178.9	0	110.5	E73 L78 F79	E73-K100 IonicContact OE1-NZ 2.66Å; E73-K100 PolarHBondContact OE1-NZ 3.18Å; L78-K100 HydrophobicContact CD1-CB 4.39Å; L78-K100 HydrophobicContact CD2-CD 4.43Å; F79-K100 WeakPolarHBondContact O-CA 3.42Å
101	L	94.1	Very high	92.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150	-171.6	58.4	99.7	0	0	0	110.7	F79 A81 I95 V103 A115 Q116 T117 I129	F79-L101 HydrophobicContact CB-CD1 3.68Å; F79-L101 HydrophobicContact CB-CG 4.12Å; F79-L101 PolarHBondContact N-O 3.26Å; F79-L101 PolarHBondContact O-N 3.15Å; A81-L101 HydrophobicContact CB-CD2 4.13Å; I95-L101 HydrophobicContact CD1-CD2 4.29Å; I95-L101 HydrophobicContact CG2-CD2 4.4Å; L101-V103 HydrophobicContact CD1-CG2 4.27Å; L101-A115 HydrophobicContact CD1-CB 3.91Å; L101-Q116 WeakPolarHBondContact CA-O 3.32Å; L101-T117 HydrophobicContact CB-CG2 3.79Å; L101-I129 HydrophobicContact CD1-CB 4.35Å; L101-I129 HydrophobicContact CD1-CD1 3.76Å; L101-I129 HydrophobicContact CD1-CG2 4.01Å; L101-I129 HydrophobicContact CD2-CG2 3.71Å; L101-I129 HydrophobicContact CG-CG2 4.46Å
102	R	93.9	Very high	92.5	Very high	119 Å²	119	54.5 Å²	54.5	45%	0.449	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.9	175	177.9	173.2	-78.4	173.4	-4.1	109.8	D75 N77 L104 A115 Q116	D75-R102 IonicContact OD2-CZ 3.27Å; D75-R102 IonicContact OD2-NE 2.88Å; D75-R102 PolarHBondContact OD2-NE 2.75Å; D75-R102 IonicContact OD2-NH2 2.72Å; D75-R102 PolarHBondContact OD2-NH2 3.18Å; N77-R102 HydrophobicContact CB-CG 4.33Å; N77-R102 WeakPolarHBondContact O-CA 3.46Å; R102-L104 HydrophobicContact CG-CD2 4.43Å; R102-A115 CarbonylContact O-C 3.6Å; R102-A115 WeakPolarHBondContact O-CA 3.18Å; R102-Q116 PolarHBondContact N-O 3.12Å; R102-Q116 PolarHBondContact O-N 2.65Å
103	V	94.6	Very high	92.7	Very high	18 Å²	18	53.9 Å²	53.9	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.7	174	176.9	0	0	0	0	109.6	N77 F79 L101 Y106 C113 I129	N77-V103 PolarHBondContact O-N 3.09Å; F79-V103 HydrophobicContact CB-CG2 4.45Å; F79-V103 HydrophobicContact CD1-CG2 4.11Å; F79-V103 HydrophobicContact CD2-CB 4.24Å; F79-V103 HydrophobicContact CD2-CG2 3.59Å; F79-V103 HydrophobicContact CE1-CG2 4.22Å; F79-V103 HydrophobicContact CE2-CB 4.11Å; F79-V103 HydrophobicContact CE2-CG2 3.74Å; F79-V103 HydrophobicContact CG-CG2 3.81Å; F79-V103 HydrophobicContact CZ-CG2 4.06Å; L101-V103 HydrophobicContact CD1-CG2 4.27Å; V103-Y106 HydrophobicContact CG1-CE2 4.09Å; V103-C113 HydrophobicContact CG1-CB 4.01Å; V103-I129 HydrophobicContact CG2-CD1 3.52Å
104	L	93	Very high	92.7	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.435	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-32.2	-179.7	-55.6	-178.1	0	0	0	112.3	R102 E114 Q116 Q121	R102-L104 HydrophobicContact CG-CD2 4.43Å; L104-E114 HydrophobicContact CD1-CG 4.44Å; L104-E114 PolarHBondContact N-O 3.43Å; L104-Q116 HydrophobicContact CD1-CB 4.26Å; L104-Q116 HydrophobicContact CD2-CB 4.49Å; L104-Q116 HydrophobicContact CG-CB 4.44Å; L104-Q121 HydrophobicContact CD1-CG 3.87Å
105	G	92.4	Very high	92.8	Very high	26 Å²	26	53 Å²	53	27%	0.268	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	176.4	-179.2	0	0	0	0	0	112.7	C113 E114	G105-C113 CarbonylContact O-C 3.55Å; G105-C113 VanDerWaalsContact O-CA 3.22Å; G105-C113 WeakPolarHBondContact O-CA 3.21Å; G105-C113 WeakPolarHBondContact O-CB 3.47Å; G105-E114 PolarHBondContact O-N 3.25Å
106	Y	94.3	Very high	92.8	Very high	129 Å²	129	57 Å²	57	51%	0.506	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155	179.9	-67.2	-86.9	0	0	0	111.1	V103 C113	V103-Y106 HydrophobicContact CG1-CE2 4.09Å; Y106-C113 HydrophobicContact CD1-CB 3.67Å; Y106-C113 HydrophobicContact CE1-CB 3.72Å; Y106-C113 HydrophobicContact CG-CB 4.41Å
107	N	92.4	Very high	92.8	Very high	19 Å²	19	53.7 Å²	53.7	10%	0.102	27%	0.274	C	S	.	.			trans	-77.6	177.5	173.8	79.8	-29.2	0	0	0	110.8	N109 G110 E111 W112 W123 P243	N107-N109 VanDerWaalsContact CG-OD1 3.28Å; N107-N109 PolarHBondContact ND2-OD1 2.79Å; N107-N109 PolarHBondContact O-N 2.95Å; N107-N109 PolarHBondContact OD1-OD1 3.29Å; N107-G110 PolarHBondContact O-N 2.93Å; N107-G110 VanDerWaalsContact O-N 3.16Å; N107-G110 WeakPolarHBondContact OD1-CA 3.43Å; N107-G110 PolarHBondContact OD1-N 3.18Å; N107-E111 PolarHBondContact OD1-N 3.17Å; N107-W112 HydrophobicContact CB-CB 4.22Å; N107-W112 PolarHBondContact N-O 3.17Å; N107-W112 PolarHBondContact OD1-N 3.34Å; N107-W112 VanDerWaalsContact OD1-N 3.13Å; N107-W112 PolarHBondContact OD1-O 2.93Å; N107-W112 VanDerWaalsContact OD1-O 3.13Å; N107-W123 HydrophobicContact CB-CE3 4.3Å; N107-W123 HydrophobicContact CB-CH2 4.01Å; N107-W123 HydrophobicContact CB-CZ3 3.61Å; N107-P243 PolarHBondContact ND2-O 2.84Å
108	H	90.1	Very high	92.8	Very high	111 Å²	111	57.8 Å²	57.8	51%	0.514	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-17.4	-175.8	71.1	-82	0	0	0	116.7	Y245	H108-Y245 AromaticContact CD2-CD2 3.67Å; H108-Y245 AromaticContact NE2-CD2 3.63Å
109	N	87.4	Confident	92.9	Very high	64 Å²	64	61.4 Å²	61.4	34%	0.342	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	4.2	-178.5	67.5	4.7	0	0	0	114.1	N107 E111	N107-N109 VanDerWaalsContact CG-OD1 3.28Å; N107-N109 PolarHBondContact ND2-OD1 2.79Å; N107-N109 PolarHBondContact O-N 2.95Å; N107-N109 PolarHBondContact OD1-OD1 3.29Å; N109-E111 PolarHBondContact ND2-OE1 2.74Å; N109-E111 PolarHBondContact ND2-OE2 2.83Å; N109-E111 PolarHBondContact O-N 3.37Å; N109-E111 VanDerWaalsContact OD1-CB 3.3Å; N109-E111 WeakPolarHBondContact OD1-CB 3.29Å; N109-E111 WeakPolarHBondContact OD1-CG 3.22Å; N109-E111 PolarHBondContact OD1-N 3.27Å; N109-E111 VanDerWaalsContact OD1-N 3.09Å
110	G	91.3	Very high	92.9	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	31%	0.309	S	S	.	.	S	Bend	trans	73.9	-5	-178.9	0	0	0	0	0	116	N107 W112 S126	N107-G110 PolarHBondContact O-N 2.93Å; N107-G110 VanDerWaalsContact O-N 3.16Å; N107-G110 WeakPolarHBondContact OD1-CA 3.43Å; N107-G110 PolarHBondContact OD1-N 3.18Å; G110-W112 PolarHBondContact O-N 3.02Å; G110-S126 VanDerWaalsContact O-CB 3.23Å; G110-S126 WeakPolarHBondContact O-CB 3.37Å; G110-S126 PolarHBondContact O-OG 2.97Å
111	E	91.6	Very high	93	Very high	57 Å²	57	61.5 Å²	61.5	27%	0.266	31%	0.311	S	S	.	.	S	Bend	trans	-68.2	-24.7	-179.7	-64.8	171.5	173	0	0	112.5	N107 N109 S126 K307	N107-E111 PolarHBondContact OD1-N 3.17Å; N109-E111 PolarHBondContact ND2-OE1 2.74Å; N109-E111 PolarHBondContact ND2-OE2 2.83Å; N109-E111 PolarHBondContact O-N 3.37Å; N109-E111 VanDerWaalsContact OD1-CB 3.3Å; N109-E111 WeakPolarHBondContact OD1-CB 3.29Å; N109-E111 WeakPolarHBondContact OD1-CG 3.22Å; N109-E111 PolarHBondContact OD1-N 3.27Å; N109-E111 VanDerWaalsContact OD1-N 3.09Å; E111-S126 PolarHBondContact O-N 2.97Å; E111-S126 PolarHBondContact O-OG 3.18Å; E111-K307 WeakPolarHBondContact OE1-CD 3.31Å; E111-K307 IonicContact OE1-NZ 3.53Å; E111-K307 PolarHBondContact OE1-NZ 3.11Å; E111-K307 IonicContact OE2-NZ 2.7Å; E111-K307 PolarHBondContact OE2-NZ 2.67Å
112	W	93.9	Very high	93.1	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.8	175.9	-64.9	76.4	0	0	0	111.3	F85 T92 N107 G110 W123 V124 P125 S126 I238 P243	F85-W112 HydrophobicContact CE1-CZ3 4.35Å; F85-W112 HydrophobicContact CE2-CH2 4.09Å; F85-W112 HydrophobicContact CE2-CZ3 4.28Å; F85-W112 AromaticContact CZ-CH2 3.82Å; F85-W112 HydrophobicContact CZ-CH2 3.82Å; F85-W112 AromaticContact CZ-CZ3 3.71Å; F85-W112 HydrophobicContact CZ-CZ3 3.71Å; T92-W112 HydrophobicContact CG2-CH2 4.27Å; T92-W112 HydrophobicContact CG2-CZ3 3.86Å; N107-W112 HydrophobicContact CB-CB 4.22Å; N107-W112 PolarHBondContact N-O 3.17Å; N107-W112 PolarHBondContact OD1-N 3.34Å; N107-W112 VanDerWaalsContact OD1-N 3.13Å; N107-W112 PolarHBondContact OD1-O 2.93Å; N107-W112 VanDerWaalsContact OD1-O 3.13Å; G110-W112 PolarHBondContact O-N 3.02Å; W112-W123 HydrophobicContact CB-CE3 3.9Å; W112-W123 HydrophobicContact CB-CZ3 4.42Å; W112-W123 HydrophobicContact CE3-CB 4.16Å; W112-V124 WeakPolarHBondContact CA-O 3.49Å; W112-V124 VanDerWaalsContact CE3-C 3.4Å; W112-P125 HydrophobicContact CE3-CG 4.31Å; W112-P125 HydrophobicContact CH2-CG 4.21Å; W112-P125 HydrophobicContact CZ3-CG 4.03Å; W112-S126 WeakPolarHBondContact CA-OG 3.42Å; W112-S126 PolarHBondContact N-OG 3.33Å; W112-I238 HydrophobicContact CH2-CG2 4.32Å; W112-I238 HydrophobicContact CZ2-CG2 3.53Å; W112-P243 HydrophobicContact CB-CB 3.74Å; W112-P243 HydrophobicContact CD2-CB 3.9Å; W112-P243 HydrophobicContact CE3-CB 4.25Å; W112-P243 HydrophobicContact CG-CB 3.69Å
113	C	94.2	Very high	93.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.9	172.8	64.1	0	0	0	0	111.2	V103 G105 Y106 W123 V124 S126 I129	V103-C113 HydrophobicContact CG1-CB 4.01Å; G105-C113 CarbonylContact O-C 3.55Å; G105-C113 VanDerWaalsContact O-CA 3.22Å; G105-C113 WeakPolarHBondContact O-CA 3.21Å; G105-C113 WeakPolarHBondContact O-CB 3.47Å; Y106-C113 HydrophobicContact CD1-CB 3.67Å; Y106-C113 HydrophobicContact CE1-CB 3.72Å; Y106-C113 HydrophobicContact CG-CB 4.41Å; C113-W123 WeakPolarHBondContact O-CA 3.5Å; C113-V124 PolarHBondContact N-O 3.03Å; C113-V124 PolarHBondContact O-N 3.17Å; C113-V124 WeakPolarHBondContact SG-CG2 3.4Å; C113-S126 PolarHBondContact N-OG 3.27Å; C113-I129 WeakPolarHBondContact SG-CD1 3.36Å
114	E	95.9	Very high	93.2	Very high	55 Å²	55	57.3 Å²	57.3	26%	0.257	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.4	169.2	-169.2	172.1	-177.7	0	0	108.3	L104 G105 Q121 W123	L104-E114 HydrophobicContact CD1-CG 4.44Å; L104-E114 PolarHBondContact N-O 3.43Å; G105-E114 PolarHBondContact O-N 3.25Å; E114-Q121 HydrophobicContact CG-CG 4.29Å; E114-Q121 PolarHBondContact OE1-NE2 3.12Å; E114-W123 HydrophobicContact CB-CD2 4.11Å; E114-W123 HydrophobicContact CB-CE3 4.18Å; E114-W123 HydrophobicContact CB-CH2 4.02Å; E114-W123 HydrophobicContact CB-CZ2 3.93Å; E114-W123 HydrophobicContact CB-CZ3 4.13Å
115	A	95.4	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.7	-174.4	0	0	0	0	0	111.4	L93 L101 R102 Q121 G122 V124	L93-A115 WeakPolarHBondContact CD2-O 3.49Å; L101-A115 HydrophobicContact CD1-CB 3.91Å; R102-A115 CarbonylContact O-C 3.6Å; R102-A115 WeakPolarHBondContact O-CA 3.18Å; A115-Q121 VanDerWaalsContact O-CA 3.31Å; A115-Q121 WeakPolarHBondContact O-CA 3.15Å; A115-G122 PolarHBondContact N-O 3.3Å; A115-G122 PolarHBondContact O-N 2.92Å; A115-V124 HydrophobicContact CB-CG2 3.88Å
116	Q	95.3	Very high	93.3	Very high	87 Å²	87	53.3 Å²	53.3	41%	0.407	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.8	174.7	-173.3	175.2	73.8	0	0	110	L101 R102 L104	L101-Q116 WeakPolarHBondContact CA-O 3.32Å; R102-Q116 PolarHBondContact N-O 3.12Å; R102-Q116 PolarHBondContact O-N 2.65Å; L104-Q116 HydrophobicContact CD1-CB 4.26Å; L104-Q116 HydrophobicContact CD2-CB 4.49Å; L104-Q116 HydrophobicContact CG-CB 4.44Å
117	T	94.1	Very high	93.2	Very high	18 Å²	18	50.7 Å²	50.7	11%	0.11	26%	0.264	C	S	.	.			trans	-117.2	-174.8	174.2	62.1	0	0	0	0	110.3	L93 I95 E99 L101 N119 G120	L93-T117 HydrophobicContact CD2-CG2 3.87Å; I95-T117 HydrophobicContact CG2-CG2 3.95Å; E99-T117 HydrophobicContact CG-CG2 4.37Å; E99-T117 VanDerWaalsContact OE1-CB 3.26Å; E99-T117 WeakPolarHBondContact OE1-CB 3.33Å; E99-T117 WeakPolarHBondContact OE1-CG2 3.47Å; L101-T117 HydrophobicContact CB-CG2 3.79Å; T117-N119 PolarHBondContact O-N 2.81Å; T117-N119 PolarHBondContact OG1-N 3Å; T117-G120 PolarHBondContact N-O 3.09Å; T117-G120 PolarHBondContact OG1-N 2.92Å; T117-G120 PolarHBondContact OG1-O 3.35Å
118	K	91.1	Very high	93.2	Very high	206 Å²	206	50.6 Å²	50.6	90%	0.896	26%	0.262	S	S	*	.	S	Bend	trans	-68.4	-20.1	165.8	-63	-179.3	-178.8	178.7	0	112.9
119	N	90.4	Very high	93.4	Very high	125 Å²	125	45.8 Å²	45.8	67%	0.668	24%	0.24	S	C	*	.	S	Bend	trans	-94	-18.4	-172.7	-61.9	-50.3	0	0	0	112.8	E99 T117	E99-N119 PolarHBondContact OE1-ND2 2.95Å; T117-N119 PolarHBondContact O-N 2.81Å; T117-N119 PolarHBondContact OG1-N 3Å
120	G	92.9	Very high	93.6	Very high	32 Å²	32	43.2 Å²	43.2	33%	0.33	23%	0.227	S	C	.	.			trans	159.6	-161.4	177.5	0	0	0	0	0	113.2	T117	T117-G120 PolarHBondContact N-O 3.09Å; T117-G120 PolarHBondContact OG1-N 2.92Å; T117-G120 PolarHBondContact OG1-O 3.35Å
121	Q	95.4	Very high	93.5	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.4	174.9	176	177.2	-34.6	0	0	109.3	L104 E114 A115	L104-Q121 HydrophobicContact CD1-CG 3.87Å; E114-Q121 HydrophobicContact CG-CG 4.29Å; E114-Q121 PolarHBondContact OE1-NE2 3.12Å; A115-Q121 VanDerWaalsContact O-CA 3.31Å; A115-Q121 WeakPolarHBondContact O-CA 3.15Å
122	G	95.3	Very high	93.3	Very high	4 Å²	4	41.3 Å²	41.3	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-175.6	176.2	0	0	0	0	0	113	A115	A115-G122 PolarHBondContact N-O 3.3Å; A115-G122 PolarHBondContact O-N 2.92Å
123	W	95.6	Very high	92.7	Very high	46 Å²	46	45.5 Å²	45.5	17%	0.174	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.4	-173.7	-68.2	87	0	0	0	112.7	N91 T92 L93 N107 W112 C113 E114 P243	N91-W123 VanDerWaalsContact O-CD1 3.3Å; N91-W123 PolarHBondContact O-N 3.09Å; T92-W123 CarbonylContact C-O 3.56Å; T92-W123 WeakPolarHBondContact CA-O 3.33Å; T92-W123 VanDerWaalsContact CB-O 3.32Å; T92-W123 WeakPolarHBondContact CB-O 3.41Å; T92-W123 HydrophobicContact CG2-CB 4.29Å; L93-W123 PolarHBondContact N-O 2.99Å; N107-W123 HydrophobicContact CB-CE3 4.3Å; N107-W123 HydrophobicContact CB-CH2 4.01Å; N107-W123 HydrophobicContact CB-CZ3 3.61Å; W112-W123 HydrophobicContact CB-CE3 3.9Å; W112-W123 HydrophobicContact CB-CZ3 4.42Å; W112-W123 HydrophobicContact CE3-CB 4.16Å; C113-W123 WeakPolarHBondContact O-CA 3.5Å; E114-W123 HydrophobicContact CB-CD2 4.11Å; E114-W123 HydrophobicContact CB-CE3 4.18Å; E114-W123 HydrophobicContact CB-CH2 4.02Å; E114-W123 HydrophobicContact CB-CZ2 3.93Å; E114-W123 HydrophobicContact CB-CZ3 4.13Å; W123-P243 HydrophobicContact CB-CB 4.05Å; W123-P243 HydrophobicContact CB-CG 3.76Å; W123-P243 HydrophobicContact CD2-CB 3.8Å; W123-P243 HydrophobicContact CD2-CG 4.02Å; W123-P243 HydrophobicContact CE3-CB 3.87Å; W123-P243 HydrophobicContact CG-CB 3.89Å; W123-P243 HydrophobicContact CG-CG 3.62Å
124	V	94.9	Very high	92.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.2	173.1	-55.4	0	0	0	0	110.3	F85 L93 I95 W112 C113 A115 S126 I129	F85-V124 HydrophobicContact CD1-CG1 4.45Å; L93-V124 HydrophobicContact CB-CG1 3.95Å; L93-V124 WeakPolarHBondContact O-CG1 3.38Å; I95-V124 HydrophobicContact CD1-CB 4.14Å; I95-V124 HydrophobicContact CD1-CG1 4.1Å; I95-V124 HydrophobicContact CD1-CG2 4.45Å; I95-V124 HydrophobicContact CG1-CG1 4.35Å; I95-V124 HydrophobicContact CG2-CG1 3.94Å; W112-V124 WeakPolarHBondContact CA-O 3.49Å; W112-V124 VanDerWaalsContact CE3-C 3.4Å; C113-V124 PolarHBondContact N-O 3.03Å; C113-V124 PolarHBondContact O-N 3.17Å; C113-V124 WeakPolarHBondContact SG-CG2 3.4Å; A115-V124 HydrophobicContact CB-CG2 3.88Å; V124-S126 PolarHBondContact O-N 3.36Å; V124-I129 HydrophobicContact CG2-CG2 4.28Å
125	P	94.3	Very high	91.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.7	175.6	-17.8	31.2	0	0	0	110.8	F85 W112 N127 Y128 I238	F85-P125 HydrophobicContact CD2-CG 3.85Å; F85-P125 HydrophobicContact CE2-CG 3.87Å; F85-P125 HydrophobicContact CG-CG 4.37Å; F85-P125 HydrophobicContact CZ-CG 4.41Å; W112-P125 HydrophobicContact CE3-CG 4.31Å; W112-P125 HydrophobicContact CH2-CG 4.21Å; W112-P125 HydrophobicContact CZ3-CG 4.03Å; P125-N127 WeakPolarHBondContact CB-OD1 3.43Å; P125-N127 PolarHBondContact O-N 3.11Å; P125-N127 VanDerWaalsContact O-N 3.17Å; P125-Y128 HydrophobicContact CB-CD2 3.64Å; P125-Y128 HydrophobicContact CB-CE2 4.18Å; P125-Y128 HydrophobicContact CB-CG 4.11Å; P125-Y128 HydrophobicContact CG-CD2 3.98Å; P125-Y128 HydrophobicContact CG-CE2 4.27Å; P125-Y128 HydrophobicContact CG-CG 4.17Å; P125-Y128 PolarHBondContact O-N 3.41Å; P125-I238 HydrophobicContact CB-CD1 4.37Å; P125-I238 HydrophobicContact CB-CG1 4.31Å; P125-I238 HydrophobicContact CG-CD1 3.59Å; P125-I238 HydrophobicContact CG-CG1 4.06Å
126	S	93.6	Very high	91.6	Very high	26 Å²	26	50.1 Å²	50.1	18%	0.182	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62	-28.8	-175.4	-56	0	0	0	0	112.9	G110 E111 W112 C113 V124 Y128 I129	G110-S126 VanDerWaalsContact O-CB 3.23Å; G110-S126 WeakPolarHBondContact O-CB 3.37Å; G110-S126 PolarHBondContact O-OG 2.97Å; E111-S126 PolarHBondContact O-N 2.97Å; E111-S126 PolarHBondContact O-OG 3.18Å; W112-S126 WeakPolarHBondContact CA-OG 3.42Å; W112-S126 PolarHBondContact N-OG 3.33Å; C113-S126 PolarHBondContact N-OG 3.27Å; V124-S126 PolarHBondContact O-N 3.36Å; S126-Y128 VanDerWaalsContact C-N 3.34Å; S126-I129 WeakPolarHBondContact O-CG1 3.45Å
127	N	91.4	Very high	91.2	Very high	74 Å²	74	48.9 Å²	48.9	40%	0.396	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-83.2	-2.8	178.6	59.4	-3	0	0	0	114.1	P125 P236 T237	P125-N127 WeakPolarHBondContact CB-OD1 3.43Å; P125-N127 PolarHBondContact O-N 3.11Å; P125-N127 VanDerWaalsContact O-N 3.17Å; N127-P236 HydrophobicContact CB-CB 4.23Å; N127-P236 WeakPolarHBondContact ND2-CB 3.1Å; N127-T237 PolarHBondContact ND2-O 3.12Å
128	Y	93.5	Very high	90.9	Very high	17 Å²	17	48.8 Å²	48.8	7%	0.067	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-89.2	-6.9	173.2	-83.6	-130.2	0	0	0	112.8	L82 Y83 F85 P125 S126 K235 P236 I238	L82-Y128 PolarHBondContact N-O 3.2Å; Y83-Y128 HydrophobicContact CD2-CG 4.49Å; F85-Y128 HydrophobicContact CB-CD1 3.75Å; F85-Y128 HydrophobicContact CB-CE1 4.03Å; F85-Y128 HydrophobicContact CD2-CE1 4.35Å; P125-Y128 HydrophobicContact CB-CD2 3.64Å; P125-Y128 HydrophobicContact CB-CE2 4.18Å; P125-Y128 HydrophobicContact CB-CG 4.11Å; P125-Y128 HydrophobicContact CG-CD2 3.98Å; P125-Y128 HydrophobicContact CG-CE2 4.27Å; P125-Y128 HydrophobicContact CG-CG 4.17Å; P125-Y128 PolarHBondContact O-N 3.41Å; S126-Y128 VanDerWaalsContact C-N 3.34Å; Y128-K235 HydrophobicContact CE1-CB 4.39Å; Y128-K235 HydrophobicContact CE1-CD 4.05Å; Y128-K235 WeakPolarHBondContact OH-CB 3.29Å; Y128-P236 HydrophobicContact CD2-CB 4.23Å; Y128-P236 HydrophobicContact CD2-CG 4.16Å; Y128-P236 HydrophobicContact CE2-CB 3.95Å; Y128-P236 HydrophobicContact CE2-CG 4.15Å; Y128-P236 WeakPolarHBondContact CE2-O 3.42Å; Y128-P236 PolarHBondContact OH-O 2.57Å; Y128-I238 HydrophobicContact CE2-CD1 3.93Å; Y128-I238 HydrophobicContact CE2-CG1 3.75Å
129	I	93.4	Very high	90.8	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.6	-176.9	66.3	167.5	0	0	0	110.6	F79 V80 I95 L101 V103 C113 V124 S126	F79-I129 HydrophobicContact CB-CB 4.46Å; F79-I129 HydrophobicContact CB-CD1 4.22Å; F79-I129 HydrophobicContact CD1-CB 4.26Å; F79-I129 HydrophobicContact CD1-CD1 3.55Å; F79-I129 HydrophobicContact CD1-CG1 3.82Å; F79-I129 HydrophobicContact CE1-CD1 4.13Å; F79-I129 HydrophobicContact CE1-CG1 4.44Å; F79-I129 HydrophobicContact CG-CD1 4.05Å; V80-I129 WeakPolarHBondContact O-CA 3.45Å; I95-I129 HydrophobicContact CD1-CG2 3.82Å; L101-I129 HydrophobicContact CD1-CB 4.35Å; L101-I129 HydrophobicContact CD1-CD1 3.76Å; L101-I129 HydrophobicContact CD1-CG2 4.01Å; L101-I129 HydrophobicContact CD2-CG2 3.71Å; L101-I129 HydrophobicContact CG-CG2 4.46Å; V103-I129 HydrophobicContact CG2-CD1 3.52Å; C113-I129 WeakPolarHBondContact SG-CD1 3.36Å; V124-I129 HydrophobicContact CG2-CG2 4.28Å; S126-I129 WeakPolarHBondContact O-CG1 3.45Å
130	T	91.9	Very high	91	Very high	10 Å²	10	35.7 Å²	35.7	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.3	173	-169.1	0	0	0	0	111	F79 V80 L82 S134 E136 K137	F79-T130 CarbonylContact C-O 3.57Å; F79-T130 WeakPolarHBondContact CA-O 3.3Å; F79-T130 WeakPolarHBondContact CB-O 3.16Å; V80-T130 HydrophobicContact CG1-CG2 3.79Å; V80-T130 PolarHBondContact N-O 3.43Å; V80-T130 PolarHBondContact O-N 2.83Å; L82-T130 HydrophobicContact CD1-CG2 4.13Å; L82-T130 HydrophobicContact CD2-CG2 3.68Å; L82-T130 HydrophobicContact CG-CG2 3.92Å; T130-S134 VanDerWaalsContact OG1-CB 3.3Å; T130-S134 WeakPolarHBondContact OG1-CB 3.45Å; T130-E136 HydrophobicContact CG2-CB 4.24Å; T130-K137 HydrophobicContact CG2-CB 4.12Å
131	P	90.4	Very high	91	Very high	47 Å²	47	34.3 Å²	34.3	31%	0.305	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	143.6	173.5	-24.3	33.8	0	0	0	111.7	F79 N133 S134	F79-P131 HydrophobicContact CD1-CG 4.22Å; F79-P131 HydrophobicContact CE1-CG 3.72Å; F79-P131 HydrophobicContact CE2-CG 4.44Å; F79-P131 HydrophobicContact CZ-CG 3.84Å; P131-N133 PolarHBondContact O-N 3.39Å; P131-S134 VanDerWaalsContact O-CB 3.32Å; P131-S134 WeakPolarHBondContact O-CB 3.29Å; P131-S134 PolarHBondContact O-N 3.25Å
132	V	86.4	Confident	90.8	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.024	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.2	-179.6	171.7	0	0	0	0	112.7	E73 L78 V80 K137	E73-V132 HydrophobicContact CB-CG1 3.97Å; E73-V132 HydrophobicContact CG-CG1 4.28Å; E73-V132 WeakPolarHBondContact OE2-CG1 3.22Å; L78-V132 HydrophobicContact CB-CG2 4.43Å; L78-V132 HydrophobicContact CD2-CG2 4.11Å; L78-V132 HydrophobicContact CG-CG2 3.88Å; L78-V132 WeakPolarHBondContact O-CG2 3.49Å; L78-V132 PolarHBondContact O-N 3.38Å; V80-V132 HydrophobicContact CB-CG2 4.23Å; V80-V132 HydrophobicContact CG1-CG2 4.49Å; V132-K137 WeakPolarHBondContact O-CD 3.41Å; V132-K137 WeakPolarHBondContact O-CE 3.49Å; V132-K137 PolarHBondContact O-NZ 3.46Å
133	N	81.6	Confident	90.6	Very high	93 Å²	93	30.9 Å²	30.9	50%	0.497	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8.2	177.5	-60.8	-42.5	0	0	0	114.2	E73 P131	E73-N133 PolarHBondContact O-ND2 2.81Å; P131-N133 PolarHBondContact O-N 3.39Å
134	S	86.7	Confident	90.4	Very high	37 Å²	37	33.2 Å²	33.2	26%	0.259	19%	0.187	S	C	.	.	S	Bend	trans	-88.6	155.5	178.4	-133.8	0	0	0	0	112.7	T130 P131 E136 K137	T130-S134 VanDerWaalsContact OG1-CB 3.3Å; T130-S134 WeakPolarHBondContact OG1-CB 3.45Å; P131-S134 VanDerWaalsContact O-CB 3.32Å; P131-S134 WeakPolarHBondContact O-CB 3.29Å; P131-S134 PolarHBondContact O-N 3.25Å; S134-E136 VanDerWaalsContact C-N 3.32Å; S134-E136 WeakPolarHBondContact CB-OE2 3.39Å; S134-E136 PolarHBondContact O-N 3.38Å; S134-E136 PolarHBondContact OG-OE2 2.93Å; S134-K137 WeakPolarHBondContact O-CD 3.45Å; S134-K137 VanDerWaalsContact O-CG 3.29Å; S134-K137 WeakPolarHBondContact O-CG 3.42Å
135	L	87.3	Confident	90.1	Very high	51 Å²	51	34.2 Å²	34.2	27%	0.267	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-71.2	-28.9	179.7	-69.5	176.4	0	0	0	112.5	K137 H138 Y141 L208	L135-K137 PolarHBondContact O-N 2.89Å; L135-K137 VanDerWaalsContact O-N 3.07Å; L135-H138 WeakPolarHBondContact O-CB 3.48Å; L135-H138 PolarHBondContact O-CD2 2.73Å; L135-H138 PolarHBondContact O-N 3.15Å; L135-Y141 HydrophobicContact CB-CD1 3.63Å; L135-Y141 HydrophobicContact CB-CD2 4.21Å; L135-Y141 HydrophobicContact CB-CE1 3.7Å; L135-Y141 HydrophobicContact CB-CE2 4.28Å; L135-Y141 HydrophobicContact CB-CG 3.88Å; L135-Y141 HydrophobicContact CD1-CD2 4.45Å; L135-Y141 HydrophobicContact CD1-CE1 4.32Å; L135-Y141 HydrophobicContact CD1-CE2 3.89Å; L135-Y141 WeakPolarHBondContact O-CB 3.19Å; L135-L208 HydrophobicContact CD1-CD2 3.96Å; L135-L208 HydrophobicContact CD2-CB 4.34Å; L135-L208 HydrophobicContact CD2-CD2 4.19Å
136	E	88.5	Confident	89.9	Confident	63 Å²	63	34.5 Å²	34.5	29%	0.294	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-58.8	-22.6	-176.8	-67.2	65.6	-146.8	0	0	112.9	L82 T130 S134 H138 Y141 K232	L82-E136 HydrophobicContact CD1-CB 4.41Å; L82-E136 WeakPolarHBondContact CD2-O 3.36Å; T130-E136 HydrophobicContact CG2-CB 4.24Å; S134-E136 VanDerWaalsContact C-N 3.32Å; S134-E136 WeakPolarHBondContact CB-OE2 3.39Å; S134-E136 PolarHBondContact O-N 3.38Å; S134-E136 PolarHBondContact OG-OE2 2.93Å; E136-H138 PolarHBondContact O-N 2.63Å; E136-Y141 HydrophobicContact CG-CD1 4.45Å; E136-Y141 WeakPolarHBondContact OE1-CE1 3.32Å; E136-K232 PolarHBondContact O-NZ 2.94Å
137	K	85.9	Confident	89.7	Confident	62 Å²	62	35.8 Å²	35.8	27%	0.27	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-59.9	-29	173.9	81.7	-172.3	-178.9	173.6	0	112.8	V80 T130 V132 S134 L135	V80-K137 HydrophobicContact CG1-CB 4.07Å; T130-K137 HydrophobicContact CG2-CB 4.12Å; V132-K137 WeakPolarHBondContact O-CD 3.41Å; V132-K137 WeakPolarHBondContact O-CE 3.49Å; V132-K137 PolarHBondContact O-NZ 3.46Å; S134-K137 WeakPolarHBondContact O-CD 3.45Å; S134-K137 VanDerWaalsContact O-CG 3.29Å; S134-K137 WeakPolarHBondContact O-CG 3.42Å; L135-K137 PolarHBondContact O-N 2.89Å; L135-K137 VanDerWaalsContact O-N 3.07Å
138	H	88.4	Confident	89.6	Confident	16 Å²	16	32.6 Å²	32.6	7%	0.074	18%	0.18	C	C	.	.	S	Bend	trans	-75.9	133.8	179.9	-60.5	-60.9	0	0	0	110.7	L135 E136 W140 Y141 K232	L135-H138 WeakPolarHBondContact O-CB 3.48Å; L135-H138 PolarHBondContact O-CD2 2.73Å; L135-H138 PolarHBondContact O-N 3.15Å; E136-H138 PolarHBondContact O-N 2.63Å; H138-W140 HydrophobicContact CB-CD2 3.87Å; H138-W140 HydrophobicContact CB-CE3 4.3Å; H138-W140 HydrophobicContact CB-CG 4.36Å; H138-W140 HydrophobicContact CB-CH2 4.18Å; H138-W140 HydrophobicContact CB-CZ2 3.74Å; H138-W140 HydrophobicContact CB-CZ3 4.45Å; H138-W140 AromaticContact CD2-CH2 3.8Å; H138-W140 AromaticContact CD2-CZ2 3.66Å; H138-W140 AromaticContact CG-CE2 3.84Å; H138-W140 AromaticContact CG-CZ2 3.53Å; H138-W140 PolarHBondContact O-N 2.69Å; H138-Y141 PolarHBondContact O-N 2.93Å; H138-Y141 VanDerWaalsContact O-N 3.16Å; H138-K232 PolarHBondContact O-NZ 2.8Å
139	S	90	Very high	89.5	Confident	56 Å²	56	32.7 Å²	32.7	39%	0.392	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-34	178.5	50.3	0	0	0	0	112.7	H142	S139-H142 PolarHBondContact O-NE2 2.89Å
140	W	93.3	Very high	89.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-15.8	177.8	50.2	-106.7	0	0	0	114.4	W61 H138 F162 L163 V164 L208 A209 V212 P229	W61-W140 AromaticContact CE2-NE1 3.94Å; W61-W140 AromaticContact CZ2-NE1 3.71Å; H138-W140 HydrophobicContact CB-CD2 3.87Å; H138-W140 HydrophobicContact CB-CE3 4.3Å; H138-W140 HydrophobicContact CB-CG 4.36Å; H138-W140 HydrophobicContact CB-CH2 4.18Å; H138-W140 HydrophobicContact CB-CZ2 3.74Å; H138-W140 HydrophobicContact CB-CZ3 4.45Å; H138-W140 AromaticContact CD2-CH2 3.8Å; H138-W140 AromaticContact CD2-CZ2 3.66Å; H138-W140 AromaticContact CG-CE2 3.84Å; H138-W140 AromaticContact CG-CZ2 3.53Å; H138-W140 PolarHBondContact O-N 2.69Å; W140-F162 HydrophobicContact CB-CD2 4.3Å; W140-F162 HydrophobicContact CB-CE2 3.48Å; W140-F162 VanDerWaalsContact CB-CE2 3.48Å; W140-F162 HydrophobicContact CB-CZ 3.65Å; W140-F162 AromaticContact CG-CE2 3.92Å; W140-F162 HydrophobicContact CG-CE2 3.92Å; W140-F162 AromaticContact CG-CZ 3.98Å; W140-F162 HydrophobicContact CG-CZ 3.98Å; W140-L163 CarbonylContact O-C 3.59Å; W140-L163 WeakPolarHBondContact O-CA 3.49Å; W140-V164 HydrophobicContact CE3-CB 3.89Å; W140-V164 HydrophobicContact CE3-CG2 3.64Å; W140-V164 HydrophobicContact CZ3-CB 4.15Å; W140-V164 HydrophobicContact CZ3-CG2 4.02Å; W140-V164 PolarHBondContact O-N 3.22Å; W140-L208 HydrophobicContact CH2-CB 4.46Å; W140-L208 HydrophobicContact CH2-CD2 4.17Å; W140-L208 HydrophobicContact CH2-CG 3.89Å; W140-L208 HydrophobicContact CZ3-CD2 3.86Å; W140-L208 HydrophobicContact CZ3-CG 3.89Å; W140-A209 HydrophobicContact CZ2-CB 4.29Å; W140-V212 HydrophobicContact CD2-CB 4.5Å; W140-V212 HydrophobicContact CD2-CG1 4Å; W140-V212 HydrophobicContact CD2-CG2 4.21Å; W140-V212 HydrophobicContact CE3-CG2 4.03Å; W140-V212 HydrophobicContact CG-CG1 4.17Å; W140-V212 HydrophobicContact CH2-CB 4.46Å; W140-V212 HydrophobicContact CH2-CG2 4.03Å; W140-V212 HydrophobicContact CZ2-CB 4.13Å; W140-V212 HydrophobicContact CZ2-CG1 4.29Å; W140-V212 HydrophobicContact CZ2-CG2 4.17Å; W140-V212 HydrophobicContact CZ3-CG2 3.95Å; W140-P229 HydrophobicContact CB-CB 3.93Å; W140-P229 HydrophobicContact CB-CG 4.16Å
141	Y	93.3	Very high	89.6	Confident	3 Å²	3	32.4 Å²	32.4	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.8	178.9	-168.4	-101.4	0	0	0	110.7	L135 E136 H138 V164 E166 R174 L208 K232	L135-Y141 HydrophobicContact CB-CD1 3.63Å; L135-Y141 HydrophobicContact CB-CD2 4.21Å; L135-Y141 HydrophobicContact CB-CE1 3.7Å; L135-Y141 HydrophobicContact CB-CE2 4.28Å; L135-Y141 HydrophobicContact CB-CG 3.88Å; L135-Y141 HydrophobicContact CD1-CD2 4.45Å; L135-Y141 HydrophobicContact CD1-CE1 4.32Å; L135-Y141 HydrophobicContact CD1-CE2 3.89Å; L135-Y141 WeakPolarHBondContact O-CB 3.19Å; E136-Y141 HydrophobicContact CG-CD1 4.45Å; E136-Y141 WeakPolarHBondContact OE1-CE1 3.32Å; H138-Y141 PolarHBondContact O-N 2.93Å; H138-Y141 VanDerWaalsContact O-N 3.16Å; Y141-V164 HydrophobicContact CD2-CB 4.2Å; Y141-V164 HydrophobicContact CD2-CG1 4.14Å; Y141-V164 HydrophobicContact CE2-CG1 4.33Å; Y141-E166 PolarHBondContact OH-OE2 2.77Å; Y141-E166 VanDerWaalsContact OH-OE2 3.13Å; Y141-R174 PolarHBondContact OH-NE 2.86Å; Y141-R174 VanDerWaalsContact OH-NE 3.1Å; Y141-L208 HydrophobicContact CD2-CD2 3.91Å; Y141-L208 HydrophobicContact CE2-CD2 3.87Å; Y141-K232 WeakPolarHBondContact O-CE 3.27Å; Y141-K232 PolarHBondContact O-NZ 3.28Å
142	H	92	Very high	89.7	Confident	30 Å²	30	30.8 Å²	30.8	14%	0.139	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-3.9	-176.2	-77.7	-123.6	0	0	0	113.7	S139 V145 V164 A230	S139-H142 PolarHBondContact O-NE2 2.89Å; H142-V145 HydrophobicContact CB-CG2 3.87Å; H142-V164 PolarHBondContact N-O 3.41Å; H142-A230 PolarHBondContact CE1-O 3.48Å; H142-A230 VanDerWaalsContact CE1-O 3.27Å; H142-A230 PolarHBondContact NE2-O 2.98Å
143	G	90.8	Very high	90.1	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-145.8	180	0	0	0	0	0	112.1	V145 R165 E166	G143-V145 PolarHBondContact O-N 3.47Å; G143-V145 VanDerWaalsContact O-N 3.1Å; G143-R165 CarbonylContact O-C 3.59Å; G143-R165 WeakPolarHBondContact O-CA 3.38Å; G143-E166 PolarHBondContact O-N 2.8Å
144	P	90	Very high	90.7	Very high	95 Å²	95	28.5 Å²	28.5	62%	0.617	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	107.4	175.4	28.9	-32.5	0	0	0	109.6	E168	P144-E168 HydrophobicContact CB-CG 4.12Å
145	V	89.8	Confident	90.9	Very high	21 Å²	21	28.8 Å²	28.8	13%	0.127	16%	0.158	C	C	.	.			trans	-142	126.9	175.6	172.6	0	0	0	0	107.9	H142 G143 A149 A150 L153 R165	H142-V145 HydrophobicContact CB-CG2 3.87Å; G143-V145 PolarHBondContact O-N 3.47Å; G143-V145 VanDerWaalsContact O-N 3.1Å; V145-A149 HydrophobicContact CG1-CB 3.72Å; V145-A150 HydrophobicContact CG1-CB 4.24Å; V145-L153 HydrophobicContact CG1-CD1 4.12Å; V145-R165 HydrophobicContact CB-CB 4.01Å; V145-R165 VanDerWaalsContact O-CD 3.3Å; V145-R165 WeakPolarHBondContact O-CD 3.46Å; V145-R165 PolarHBondContact O-NH1 3.36Å
146	S	89.8	Confident	90.8	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.042	17%	0.168	C	C	.	.			trans	-64.6	168.2	179.3	81.6	0	0	0	0	113.2	A149 A150 E168 E507	S146-A149 WeakPolarHBondContact OG-CB 3.48Å; S146-A149 PolarHBondContact OG-N 2.83Å; S146-A149 VanDerWaalsContact OG-N 3.12Å; S146-A150 WeakPolarHBondContact O-CB 3.24Å; S146-A150 PolarHBondContact O-N 2.94Å; S146-A150 VanDerWaalsContact O-N 3.08Å; S146-E168 VanDerWaalsContact CB-OE2 3.25Å; S146-E168 WeakPolarHBondContact CB-OE2 3.3Å; S146-E507 WeakPolarHBondContact CB-OE1 3.23Å; S146-E507 WeakPolarHBondContact CB-OE2 3.3Å; S146-E507 PolarHBondContact OG-OE1 3.04Å; S146-E507 PolarHBondContact OG-OE2 3.26Å
147	R	89.7	Confident	90.9	Very high	54 Å²	54	27.4 Å²	27.4	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-47.7	176.3	-172.1	-162.8	171.4	129.5	-20.3	110.9	A150 E151 H186 F510 Q511	R147-A150 PolarHBondContact O-N 2.84Å; R147-E151 IonicContact CZ-OE1 2.69Å; R147-E151 IonicContact NE-OE1 3.16Å; R147-E151 PolarHBondContact NE-OE1 2.82Å; R147-E151 IonicContact NH2-OE1 2.65Å; R147-E151 PolarHBondContact O-N 2.75Å; R147-H186 WeakPolarHBondContact CG-CE1 3.39Å; R147-H186 WeakPolarHBondContact CG-NE2 3.45Å; R147-H186 PolarHBondContact NE-NE2 2.92Å; R147-F510 VanDerWaalsContact CD-O 3.3Å; R147-F510 WeakPolarHBondContact CD-O 3.42Å; R147-F510 PolarHBondContact NE-O 2.96Å; R147-Q511 PolarHBondContact NH1-O 3.44Å
148	N	89.6	Confident	91.3	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-41.9	-176.5	-58.7	-52.2	0	0	0	111.2	A150 E151 Y152 L354 F506 E507	N148-A150 VanDerWaalsContact C-N 3.31Å; N148-A150 PolarHBondContact O-N 2.87Å; N148-E151 PolarHBondContact O-N 3Å; N148-Y152 PolarHBondContact O-N 2.83Å; N148-L354 HydrophobicContact CB-CD2 4.11Å; N148-F506 PolarHBondContact ND2-O 3.17Å; N148-E507 PolarHBondContact ND2-OE2 3.5Å
149	A	91.1	Very high	91.6	Very high	18 Å²	18	30.9 Å²	30.9	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-35.4	175.5	0	0	0	0	0	112.4	V145 S146 Y152 L153 Y355	V145-A149 HydrophobicContact CG1-CB 3.72Å; S146-A149 WeakPolarHBondContact OG-CB 3.48Å; S146-A149 PolarHBondContact OG-N 2.83Å; S146-A149 VanDerWaalsContact OG-N 3.12Å; A149-Y152 PolarHBondContact O-N 2.9Å; A149-L153 WeakPolarHBondContact O-CB 3.45Å; A149-L153 VanDerWaalsContact O-CG 3.3Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 2.82Å; A149-Y355 HydrophobicContact CB-CE2 4.29Å
150	A	93.4	Very high	91.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-38	173.7	0	0	0	0	0	113.1	V145 S146 R147 N148 Y152 L153 L154 L163	V145-A150 HydrophobicContact CG1-CB 4.24Å; S146-A150 WeakPolarHBondContact O-CB 3.24Å; S146-A150 PolarHBondContact O-N 2.94Å; S146-A150 VanDerWaalsContact O-N 3.08Å; R147-A150 PolarHBondContact O-N 2.84Å; N148-A150 VanDerWaalsContact C-N 3.31Å; N148-A150 PolarHBondContact O-N 2.87Å; A150-Y152 VanDerWaalsContact C-N 3.35Å; A150-L153 PolarHBondContact O-N 2.66Å; A150-L154 WeakPolarHBondContact O-CB 3.39Å; A150-L154 WeakPolarHBondContact O-CG 3.48Å; A150-L154 PolarHBondContact O-N 3.24Å; A150-L154 VanDerWaalsContact O-N 3.1Å; A150-L163 HydrophobicContact CB-CD1 4Å; A150-L163 HydrophobicContact CB-CD2 4.36Å
151	E	93.8	Very high	92	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-40.9	172.5	-68.5	-179.3	-158.8	0	0	111	R147 N148 L154 S155 V184 H186 V351	R147-E151 IonicContact CZ-OE1 2.69Å; R147-E151 IonicContact NE-OE1 3.16Å; R147-E151 PolarHBondContact NE-OE1 2.82Å; R147-E151 IonicContact NH2-OE1 2.65Å; R147-E151 PolarHBondContact O-N 2.75Å; N148-E151 PolarHBondContact O-N 3Å; E151-L154 PolarHBondContact O-N 3.31Å; E151-S155 PolarHBondContact O-N 3.4Å; E151-V184 HydrophobicContact CG-CB 4.05Å; E151-V184 HydrophobicContact CG-CG1 3.97Å; E151-H186 WeakPolarHBondContact CG-NE2 3.39Å; E151-H186 IonicContact OE1-CD2 3.88Å; E151-H186 IonicContact OE1-CE1 2.69Å; E151-H186 IonicContact OE1-NE2 2.73Å; E151-H186 PolarHBondContact OE1-NE2 3.04Å; E151-V351 HydrophobicContact CB-CG1 4.21Å
152	Y	93.3	Very high	92.2	Very high	14 Å²	14	28.5 Å²	28.5	6%	0.055	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-49.2	172.4	171.2	-107.7	0	0	0	112.9	N148 A149 A150 L154 S155 V352 Y355 N387 H388	N148-Y152 PolarHBondContact O-N 2.83Å; A149-Y152 PolarHBondContact O-N 2.9Å; A150-Y152 VanDerWaalsContact C-N 3.35Å; Y152-L154 PolarHBondContact O-N 3.08Å; Y152-S155 VanDerWaalsContact O-CB 3.24Å; Y152-S155 WeakPolarHBondContact O-CB 3.41Å; Y152-S155 PolarHBondContact O-N 3.43Å; Y152-S155 PolarHBondContact O-OG 2.94Å; Y152-V352 HydrophobicContact CD2-CG2 4.16Å; Y152-V352 HydrophobicContact CE2-CG1 4.32Å; Y152-V352 HydrophobicContact CE2-CG2 4.14Å; Y152-Y355 AromaticContact CD1-CD1 3.44Å; Y152-Y355 HydrophobicContact CD1-CD1 3.44Å; Y152-Y355 VanDerWaalsContact CD1-CD1 3.44Å; Y152-Y355 AromaticContact CD1-CD2 3.77Å; Y152-Y355 HydrophobicContact CD1-CD2 3.77Å; Y152-Y355 AromaticContact CD1-CE1 3.38Å; Y152-Y355 HydrophobicContact CD1-CE1 3.38Å; Y152-Y355 AromaticContact CD1-CE2 3.72Å; Y152-Y355 HydrophobicContact CD1-CE2 3.72Å; Y152-Y355 AromaticContact CD1-CG 3.64Å; Y152-Y355 HydrophobicContact CD1-CG 3.64Å; Y152-Y355 AromaticContact CD1-CZ 3.52Å; Y152-Y355 AromaticContact CD2-CD1 4Å; Y152-Y355 HydrophobicContact CD2-CD1 4Å; Y152-Y355 HydrophobicContact CD2-CG 4.15Å; Y152-Y355 AromaticContact CE1-CD1 3.55Å; Y152-Y355 HydrophobicContact CE1-CD1 3.55Å; Y152-Y355 AromaticContact CE1-CE1 3.21Å; Y152-Y355 HydrophobicContact CE1-CE1 3.21Å; Y152-Y355 HydrophobicContact CE1-CE2 4.33Å; Y152-Y355 HydrophobicContact CE1-CG 4.24Å; Y152-Y355 AromaticContact CE1-CZ 3.66Å; Y152-Y355 HydrophobicContact CE2-CD1 4.12Å; Y152-Y355 AromaticContact CG-CD1 3.68Å; Y152-Y355 HydrophobicContact CG-CD1 3.68Å; Y152-Y355 AromaticContact CG-CD2 3.96Å; Y152-Y355 HydrophobicContact CG-CD2 3.96Å; Y152-Y355 HydrophobicContact CG-CE1 4.12Å; Y152-Y355 HydrophobicContact CG-CE2 4.38Å; Y152-Y355 AromaticContact CG-CG 3.59Å; Y152-Y355 HydrophobicContact CG-CG 3.59Å; Y152-Y355 AromaticContact CZ-CD1 3.92Å; Y152-Y355 AromaticContact CZ-CE1 3.88Å; Y152-N387 PolarHBondContact OH-O 2.9Å; Y152-H388 HydrophobicContact CE2-CB 4.32Å; Y152-H388 AromaticContact CE2-ND1 3.52Å; Y152-H388 AromaticContact CZ-ND1 3.59Å; Y152-H388 PolarHBondContact OH-ND1 2.72Å
153	L	93.4	Very high	92.5	Very high	48 Å²	48	27.1 Å²	27.1	25%	0.251	16%	0.162	S	C	.	.	H	α-helix	trans	-60	-32.2	179.5	-74.2	167.4	0	0	0	112.6	V145 A149 A150 L163	V145-L153 HydrophobicContact CG1-CD1 4.12Å; A149-L153 WeakPolarHBondContact O-CB 3.45Å; A149-L153 VanDerWaalsContact O-CG 3.3Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 2.82Å; A150-L153 PolarHBondContact O-N 2.66Å; L153-L163 HydrophobicContact CB-CD2 3.97Å; L153-L163 HydrophobicContact CD1-CD2 3.93Å
154	L	94.8	Very high	92.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-87.8	-9.7	177.4	-67.4	171.4	0	0	0	113.8	A150 E151 Y152 S156 G157 L163 S177 R179 V184 A230	A150-L154 WeakPolarHBondContact O-CB 3.39Å; A150-L154 WeakPolarHBondContact O-CG 3.48Å; A150-L154 PolarHBondContact O-N 3.24Å; A150-L154 VanDerWaalsContact O-N 3.1Å; E151-L154 PolarHBondContact O-N 3.31Å; Y152-L154 PolarHBondContact O-N 3.08Å; L154-S156 PolarHBondContact O-N 3.22Å; L154-S156 VanDerWaalsContact O-N 3.14Å; L154-G157 PolarHBondContact O-N 3.3Å; L154-L163 HydrophobicContact CG-CD2 4.37Å; L154-S177 WeakPolarHBondContact CD1-O 3.37Å; L154-R179 VanDerWaalsContact O-CD 3.32Å; L154-R179 WeakPolarHBondContact O-CD 3.43Å; L154-R179 PolarHBondContact O-NH1 3.3Å; L154-V184 HydrophobicContact CB-CG2 3.82Å; L154-V184 HydrophobicContact CD1-CG1 3.73Å; L154-V184 HydrophobicContact CD1-CG2 4.3Å; L154-A230 HydrophobicContact CD2-CB 3.97Å
155	S	90.4	Very high	92.9	Very high	42 Å²	42	23.1 Å²	23.1	29%	0.294	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-179.5	70.3	0	0	0	0	114.4	E151 Y152 R179	E151-S155 PolarHBondContact O-N 3.4Å; Y152-S155 VanDerWaalsContact O-CB 3.24Å; Y152-S155 WeakPolarHBondContact O-CB 3.41Å; Y152-S155 PolarHBondContact O-N 3.43Å; Y152-S155 PolarHBondContact O-OG 2.94Å; S155-R179 PolarHBondContact O-NH1 2.82Å
156	S	86.4	Confident	93	Very high	67 Å²	67	24.2 Å²	24.2	47%	0.469	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	17.7	174.4	58.8	0	0	0	0	114.1	L154 R233	L154-S156 PolarHBondContact O-N 3.22Å; L154-S156 VanDerWaalsContact O-N 3.14Å; S156-R233 PolarHBondContact OG-NH1 3.18Å; S156-R233 PolarHBondContact OG-NH2 2.85Å
157	G	90.1	Very high	92.4	Very high	19 Å²	19	25 Å²	25	20%	0.196	14%	0.143	C	C	.	.			trans	-86.3	-170.3	172.9	0	0	0	0	0	114.1	L154 R179	L154-G157 PolarHBondContact O-N 3.3Å; G157-R179 PolarHBondContact O-NE 3.44Å; G157-R179 PolarHBondContact O-NH1 3.08Å; G157-R179 PolarHBondContact O-NH2 2.87Å
158	I	93.8	Very high	91.3	Very high	87 Å²	87	27.4 Å²	27.4	45%	0.446	16%	0.156	S	C	.	.			trans	-124	-179.3	176	57.7	173.3	0	0	0	110.7	G160 S161 R179 Y228	I158-G160 PolarHBondContact O-N 3.15Å; I158-S161 PolarHBondContact N-OG 2.61Å; I158-S161 WeakPolarHBondContact O-CB 3.36Å; I158-S161 PolarHBondContact O-N 3.14Å; I158-S161 PolarHBondContact O-OG 3.01Å; I158-R179 WeakPolarHBondContact O-CD 3.45Å; I158-R179 WeakPolarHBondContact O-CG 3.21Å; I158-Y228 HydrophobicContact CD1-CD2 3.64Å; I158-Y228 HydrophobicContact CD1-CE1 4.46Å; I158-Y228 HydrophobicContact CD1-CE2 3.53Å; I158-Y228 HydrophobicContact CD1-CG 4.17Å; I158-Y228 HydrophobicContact CG1-CD2 3.76Å; I158-Y228 HydrophobicContact CG1-CE2 4.09Å; I158-Y228 HydrophobicContact CG1-CG 4.37Å
159	N	95.8	Very high	90	Very high	63 Å²	63	30.9 Å²	30.9	34%	0.337	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	131	173.8	-76	-4.8	0	0	0	110.8	S161 Y180 E181	N159-S161 VanDerWaalsContact C-N 3.28Å; N159-Y180 HydrophobicContact CB-CD2 4.27Å; N159-E181 PolarHBondContact ND2-OE1 2.97Å; N159-E181 PolarHBondContact OD1-N 2.85Å
160	G	93.8	Very high	88.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	6.9	-173.2	0	0	0	0	0	114.1	I158 R179 T225 H227 Y228	I158-G160 PolarHBondContact O-N 3.15Å; G160-R179 PolarHBondContact N-O 2.76Å; G160-T225 WeakPolarHBondContact CA-O 3Å; G160-H227 PolarHBondContact O-N 3.08Å; G160-H227 VanDerWaalsContact O-N 3.09Å; G160-Y228 PolarHBondContact O-N 2.85Å
161	S	97.3	Very high	87.5	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.3	166	-70.5	0	0	0	0	110.7	I158 N159 R179 Y228	I158-S161 PolarHBondContact N-OG 2.61Å; I158-S161 WeakPolarHBondContact O-CB 3.36Å; I158-S161 PolarHBondContact O-N 3.14Å; I158-S161 PolarHBondContact O-OG 3.01Å; N159-S161 VanDerWaalsContact C-N 3.28Å; S161-R179 PolarHBondContact O-N 3.15Å; S161-Y228 CarbonylContact C-O 3.47Å; S161-Y228 WeakPolarHBondContact CA-O 3.22Å
162	F	97.8	Very high	86.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161.3	-172.1	80.9	-78.3	0	0	0	113.8	W140 I176 S177 L178 V212 L226 Y228 P229 A230	W140-F162 HydrophobicContact CB-CD2 4.3Å; W140-F162 HydrophobicContact CB-CE2 3.48Å; W140-F162 VanDerWaalsContact CB-CE2 3.48Å; W140-F162 HydrophobicContact CB-CZ 3.65Å; W140-F162 AromaticContact CG-CE2 3.92Å; W140-F162 HydrophobicContact CG-CE2 3.92Å; W140-F162 AromaticContact CG-CZ 3.98Å; W140-F162 HydrophobicContact CG-CZ 3.98Å; F162-I176 HydrophobicContact CD2-CG2 4.46Å; F162-S177 CarbonylContact C-O 3.47Å; F162-S177 WeakPolarHBondContact CA-O 3.5Å; F162-S177 WeakPolarHBondContact CB-O 3.4Å; F162-L178 HydrophobicContact CB-CD1 3.96Å; F162-V212 HydrophobicContact CE2-CG1 3.69Å; F162-V212 HydrophobicContact CZ-CG1 3.76Å; F162-L226 HydrophobicContact CB-CD2 3.82Å; F162-L226 HydrophobicContact CD1-CB 3.75Å; F162-L226 HydrophobicContact CD1-CD2 4.4Å; F162-L226 HydrophobicContact CD2-CB 4.06Å; F162-L226 HydrophobicContact CD2-CD1 4.05Å; F162-L226 HydrophobicContact CD2-CD2 3.95Å; F162-L226 HydrophobicContact CD2-CG 4.24Å; F162-L226 HydrophobicContact CE1-CB 3.71Å; F162-L226 WeakPolarHBondContact CE1-O 3.33Å; F162-L226 HydrophobicContact CE2-CB 4.02Å; F162-L226 HydrophobicContact CE2-CD1 4.03Å; F162-L226 HydrophobicContact CE2-CG 4.46Å; F162-L226 HydrophobicContact CG-CB 3.93Å; F162-L226 HydrophobicContact CG-CD2 3.81Å; F162-L226 HydrophobicContact CG-CG 4.31Å; F162-L226 HydrophobicContact CZ-CB 3.85Å; F162-Y228 PolarHBondContact N-O 3.03Å; F162-P229 HydrophobicContact CE1-CG 3.97Å; F162-P229 HydrophobicContact CZ-CG 4.17Å; F162-P229 CarbonylContact O-C 3.57Å; F162-P229 WeakPolarHBondContact O-CA 3.47Å; F162-A230 PolarHBondContact O-N 3.47Å
163	L	96.9	Very high	86.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.6	165.4	60.9	84.8	0	0	0	110.8	W140 A150 L153 L154 R165 I176 S177 A230	W140-L163 CarbonylContact O-C 3.59Å; W140-L163 WeakPolarHBondContact O-CA 3.49Å; A150-L163 HydrophobicContact CB-CD1 4Å; A150-L163 HydrophobicContact CB-CD2 4.36Å; L153-L163 HydrophobicContact CB-CD2 3.97Å; L153-L163 HydrophobicContact CD1-CD2 3.93Å; L154-L163 HydrophobicContact CG-CD2 4.37Å; L163-R165 HydrophobicContact CD1-CB 3.96Å; L163-R165 HydrophobicContact CD1-CG 4.18Å; L163-I176 WeakPolarHBondContact O-CA 3.19Å; L163-S177 PolarHBondContact N-O 2.69Å; L163-S177 PolarHBondContact O-N 3.44Å; L163-A230 HydrophobicContact CB-CB 4.01Å; L163-A230 HydrophobicContact CD2-CB 3.87Å; L163-A230 HydrophobicContact CG-CB 4.45Å
164	V	96.1	Very high	86	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.5	168.6	-174	0	0	0	0	108.5	W140 Y141 H142 S175 I176 I189 L208 V212	W140-V164 HydrophobicContact CE3-CB 3.89Å; W140-V164 HydrophobicContact CE3-CG2 3.64Å; W140-V164 HydrophobicContact CZ3-CB 4.15Å; W140-V164 HydrophobicContact CZ3-CG2 4.02Å; W140-V164 PolarHBondContact O-N 3.22Å; Y141-V164 HydrophobicContact CD2-CB 4.2Å; Y141-V164 HydrophobicContact CD2-CG1 4.14Å; Y141-V164 HydrophobicContact CE2-CG1 4.33Å; H142-V164 PolarHBondContact N-O 3.41Å; V164-S175 WeakPolarHBondContact CA-O 3.35Å; V164-I176 HydrophobicContact CG2-CG1 4.37Å; V164-I189 HydrophobicContact CG1-CD1 3.86Å; V164-L208 HydrophobicContact CG1-CD1 4.32Å; V164-L208 HydrophobicContact CG1-CD2 4.16Å; V164-V212 HydrophobicContact CG2-CG2 3.85Å
165	R	94.3	Very high	86	Confident	14 Å²	14	43.2 Å²	43.2	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.8	-177.7	63.8	-162.7	-178.7	72.2	4.3	111.3	G143 V145 L163 R174 S175 S177 H186	G143-R165 CarbonylContact O-C 3.59Å; G143-R165 WeakPolarHBondContact O-CA 3.38Å; V145-R165 HydrophobicContact CB-CB 4.01Å; V145-R165 VanDerWaalsContact O-CD 3.3Å; V145-R165 WeakPolarHBondContact O-CD 3.46Å; V145-R165 PolarHBondContact O-NH1 3.36Å; L163-R165 HydrophobicContact CD1-CB 3.96Å; L163-R165 HydrophobicContact CD1-CG 4.18Å; R165-R174 CarbonylContact O-C 3.58Å; R165-R174 VanDerWaalsContact O-CA 3.31Å; R165-R174 WeakPolarHBondContact O-CA 3.45Å; R165-S175 PolarHBondContact N-O 2.87Å; R165-S175 PolarHBondContact O-N 3.1Å; R165-S177 PolarHBondContact NE-OG 2.89Å; R165-H186 PolarHBondContact NH2-ND1 3.28Å
166	E	91	Very high	86.3	Confident	44 Å²	44	41.2 Å²	41.2	21%	0.206	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	145.2	169.2	-169	154.4	163.4	0	0	110	Y141 G143 E168 G172 R174	Y141-E166 PolarHBondContact OH-OE2 2.77Å; Y141-E166 VanDerWaalsContact OH-OE2 3.13Å; G143-E166 PolarHBondContact O-N 2.8Å; E166-E168 PolarHBondContact O-N 3.07Å; E166-G172 WeakPolarHBondContact OE1-CA 3.42Å; E166-G172 PolarHBondContact OE1-N 3.1Å; E166-R174 IonicContact OE2-CZ 2.77Å; E166-R174 IonicContact OE2-NE 3.65Å; E166-R174 IonicContact OE2-NH2 3.72Å; E166-R174 PolarHBondContact OE2-NH2 2.79Å
167	S	77.1	Confident	86.8	Confident	23 Å²	23	38 Å²	38	16%	0.161	22%	0.224	C	C	.	.			trans	-86.1	109.6	-177	-159.7	0	0	0	0	110.4	S169 S170 Q173	S167-S169 PolarHBondContact O-N 3.42Å; S167-S169 PolarHBondContact OG-OG 3.11Å; S167-S169 VanDerWaalsContact OG-OG 3.07Å; S167-S170 CarbonylContact O-C 3.49Å; S167-S170 PolarHBondContact O-N 2.79Å; S167-S170 VanDerWaalsContact O-O 3.13Å; S167-Q173 PolarHBondContact N-O 3.47Å
168	E	67.4	Low	87.2	Confident	105 Å²	105	37.1 Å²	37.1	49%	0.491	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.1	177.8	-63.2	161.3	155.6	0	0	112.2	P144 S146 E166 S170	P144-E168 HydrophobicContact CB-CG 4.12Å; S146-E168 VanDerWaalsContact CB-OE2 3.25Å; S146-E168 WeakPolarHBondContact CB-OE2 3.3Å; E166-E168 PolarHBondContact O-N 3.07Å; E168-S170 VanDerWaalsContact C-N 3.26Å; E168-S170 PolarHBondContact O-N 3.35Å
169	S	62.9	Low	87.3	Confident	79 Å²	79	35.3 Å²	35.3	55%	0.552	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-6.5	175.4	57.4	0	0	0	0	115.1	S167	S167-S169 PolarHBondContact O-N 3.42Å; S167-S169 PolarHBondContact OG-OG 3.11Å; S167-S169 VanDerWaalsContact OG-OG 3.07Å
170	S	66.1	Low	87.3	Confident	56 Å²	56	36 Å²	36	39%	0.392	20%	0.2	S	C	.	.	S	Bend	trans	-159.4	79.7	-177.6	-70.9	0	0	0	0	110.6	S167 E168 G172 Q173	S167-S170 CarbonylContact O-C 3.49Å; S167-S170 PolarHBondContact O-N 2.79Å; S167-S170 VanDerWaalsContact O-O 3.13Å; E168-S170 VanDerWaalsContact C-N 3.26Å; E168-S170 PolarHBondContact O-N 3.35Å; S170-G172 PolarHBondContact O-N 3.25Å; S170-Q173 VanDerWaalsContact O-CB 3.27Å; S170-Q173 WeakPolarHBondContact O-CB 3.48Å; S170-Q173 PolarHBondContact O-N 3.06Å
171	P	64.6	Low	87.3	Confident	114 Å²	114	42 Å²	42	74%	0.74	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	138.7	-179.6	-29.6	36.3	0	0	0	113.1	Q173	P171-Q173 VanDerWaalsContact C-N 3.26Å; P171-Q173 PolarHBondContact O-N 2.92Å
172	G	72.8	Confident	86.8	Confident	36 Å²	36	44 Å²	44	37%	0.371	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-19.4	-172.8	0	0	0	0	0	115.6	E166 S170	E166-G172 WeakPolarHBondContact OE1-CA 3.42Å; E166-G172 PolarHBondContact OE1-N 3.1Å; S170-G172 PolarHBondContact O-N 3.25Å
173	Q	84.7	Confident	86.5	Confident	72 Å²	72	50.8 Å²	50.8	34%	0.336	28%	0.276	S	S	.	.			trans	-77.9	133.5	170.7	-66.1	-65.4	-66.5	0	0	110.4	S167 S170 P171	S167-Q173 PolarHBondContact N-O 3.47Å; S170-Q173 VanDerWaalsContact O-CB 3.27Å; S170-Q173 WeakPolarHBondContact O-CB 3.48Å; S170-Q173 PolarHBondContact O-N 3.06Å; P171-Q173 VanDerWaalsContact C-N 3.26Å; P171-Q173 PolarHBondContact O-N 2.92Å
174	R	93.1	Very high	86.4	Confident	60 Å²	60	52.3 Å²	52.3	23%	0.226	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	157.2	-179.8	-65.4	-176.3	178	88.2	17.2	111.6	Y141 R165 E166 I189	Y141-R174 PolarHBondContact OH-NE 2.86Å; Y141-R174 VanDerWaalsContact OH-NE 3.1Å; R165-R174 CarbonylContact O-C 3.58Å; R165-R174 VanDerWaalsContact O-CA 3.31Å; R165-R174 WeakPolarHBondContact O-CA 3.45Å; E166-R174 IonicContact OE2-CZ 2.77Å; E166-R174 IonicContact OE2-NE 3.65Å; E166-R174 IonicContact OE2-NH2 3.72Å; E166-R174 PolarHBondContact OE2-NH2 2.79Å; R174-I189 HydrophobicContact CB-CB 4.3Å; R174-I189 HydrophobicContact CB-CD1 4.1Å; R174-I189 HydrophobicContact CB-CG1 4.48Å; R174-I189 PolarHBondContact O-N 2.85Å
175	S	94.6	Very high	86.3	Confident	17 Å²	17	56.1 Å²	56.1	12%	0.119	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.6	177.3	-66	0	0	0	0	111.5	V164 R165 Y187	V164-S175 WeakPolarHBondContact CA-O 3.35Å; R165-S175 PolarHBondContact N-O 2.87Å; R165-S175 PolarHBondContact O-N 3.1Å; S175-Y187 CarbonylContact C-O 3.59Å; S175-Y187 WeakPolarHBondContact CA-O 3.47Å; S175-Y187 WeakPolarHBondContact CB-O 3.35Å
176	I	96.3	Very high	86.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.9	166.6	-46.8	-178.4	0	0	0	107.4	F162 L163 V164 H186 Y187 I189 V199 L211 L226	F162-I176 HydrophobicContact CD2-CG2 4.46Å; L163-I176 WeakPolarHBondContact O-CA 3.19Å; V164-I176 HydrophobicContact CG2-CG1 4.37Å; I176-H186 CarbonylContact O-C 3.54Å; I176-H186 WeakPolarHBondContact O-CA 3.27Å; I176-Y187 PolarHBondContact N-O 3.31Å; I176-Y187 PolarHBondContact O-N 3.31Å; I176-I189 HydrophobicContact CD1-CD1 4.43Å; I176-I189 HydrophobicContact CD1-CG1 4.47Å; I176-I189 HydrophobicContact CG1-CD1 3.8Å; I176-I189 HydrophobicContact CG1-CG1 3.89Å; I176-V199 HydrophobicContact CD1-CG2 3.89Å; I176-L211 HydrophobicContact CD1-CD2 3.93Å; I176-L226 HydrophobicContact CD1-CD1 4.19Å; I176-L226 HydrophobicContact CG2-CD1 4.42Å; I176-L226 HydrophobicContact CG2-CD2 3.94Å
177	S	96.8	Very high	86.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.2	166.5	-64.1	0	0	0	0	108.2	L154 F162 L163 R165 Y185 H186	L154-S177 WeakPolarHBondContact CD1-O 3.37Å; F162-S177 CarbonylContact C-O 3.47Å; F162-S177 WeakPolarHBondContact CA-O 3.5Å; F162-S177 WeakPolarHBondContact CB-O 3.4Å; L163-S177 PolarHBondContact N-O 2.69Å; L163-S177 PolarHBondContact O-N 3.44Å; R165-S177 PolarHBondContact NE-OG 2.89Å; S177-Y185 CarbonylContact C-O 3.51Å; S177-Y185 WeakPolarHBondContact CA-O 3.39Å; S177-H186 PolarHBondContact OG-CE1 2.72Å; S177-H186 VanDerWaalsContact OG-CE1 3.3Å; S177-H186 PolarHBondContact OG-ND1 2.75Å
178	L	97.5	Very high	87.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.3	-167	171.4	60.2	0	0	0	111	F162 V184 Y185 Y187 L222 I223 T224 L226	F162-L178 HydrophobicContact CB-CD1 3.96Å; L178-V184 CarbonylContact O-C 3.52Å; L178-V184 WeakPolarHBondContact O-CA 3.36Å; L178-Y185 PolarHBondContact N-O 3.26Å; L178-Y185 PolarHBondContact O-N 3.42Å; L178-Y187 HydrophobicContact CB-CE2 4.39Å; L178-Y187 HydrophobicContact CD2-CE2 4.17Å; L178-L222 HydrophobicContact CD2-CB 4.16Å; L178-L222 HydrophobicContact CD2-CD1 4.28Å; L178-I223 HydrophobicContact CD2-CG2 3.94Å; L178-I223 HydrophobicContact CG-CG2 4.4Å; L178-T224 HydrophobicContact CD1-CG2 3.89Å; L178-T224 HydrophobicContact CD2-CG2 4.05Å; L178-T224 WeakPolarHBondContact CD2-O 3.41Å; L178-T224 HydrophobicContact CG-CG2 4.15Å; L178-L226 HydrophobicContact CD1-CD2 3.9Å; L178-L226 HydrophobicContact CD2-CD2 4.06Å; L178-L226 HydrophobicContact CG-CD2 4.41Å
179	R	96.6	Very high	88.4	Confident	48 Å²	48	58.9 Å²	58.9	18%	0.181	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.3	177	177.2	171.2	175	144	-3.7	112.6	L154 S155 G157 I158 G160 S161 R183	L154-R179 VanDerWaalsContact O-CD 3.32Å; L154-R179 WeakPolarHBondContact O-CD 3.43Å; L154-R179 PolarHBondContact O-NH1 3.3Å; S155-R179 PolarHBondContact O-NH1 2.82Å; G157-R179 PolarHBondContact O-NE 3.44Å; G157-R179 PolarHBondContact O-NH1 3.08Å; G157-R179 PolarHBondContact O-NH2 2.87Å; I158-R179 WeakPolarHBondContact O-CD 3.45Å; I158-R179 WeakPolarHBondContact O-CG 3.21Å; G160-R179 PolarHBondContact N-O 2.76Å; S161-R179 PolarHBondContact O-N 3.15Å; R179-R183 VanDerWaalsContact CA-O 3.29Å; R179-R183 WeakPolarHBondContact CA-O 3.5Å
180	Y	96.1	Very high	89.8	Confident	77 Å²	77	56.6 Å²	56.6	30%	0.302	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	133.9	170.7	-174.6	-111.6	0	0	0	110.5	N159 G182 R183 I223 T224	N159-Y180 HydrophobicContact CB-CD2 4.27Å; Y180-G182 VanDerWaalsContact C-N 3.3Å; Y180-G182 PolarHBondContact O-N 2.95Å; Y180-R183 PolarHBondContact N-O 2.95Å; Y180-R183 PolarHBondContact O-N 3.43Å; Y180-I223 HydrophobicContact CD1-CD1 4.39Å; Y180-I223 HydrophobicContact CD1-CG1 3.52Å; Y180-I223 HydrophobicContact CE1-CD1 4.49Å; Y180-I223 HydrophobicContact CE1-CG1 4.02Å; Y180-I223 HydrophobicContact CG-CG1 4.17Å; Y180-I223 HydrophobicContact CG-CG2 4.39Å; Y180-T224 HydrophobicContact CD2-CG2 3.83Å; Y180-T224 HydrophobicContact CG-CG2 4.22Å
181	E	93	Very high	91.1	Very high	127 Å²	127	57.7 Å²	57.7	59%	0.593	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	48.4	-179.3	-63.2	-52.8	124.1	0	0	113.6	N159 R183	N159-E181 PolarHBondContact ND2-OE1 2.97Å; N159-E181 PolarHBondContact OD1-N 2.85Å; E181-R183 PolarHBondContact O-N 3.16Å
182	G	86.8	Confident	92.4	Very high	53 Å²	53	53 Å²	53	55%	0.546	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	-13.3	-179.4	0	0	0	0	0	115.5	Y180	Y180-G182 VanDerWaalsContact C-N 3.3Å; Y180-G182 PolarHBondContact O-N 2.95Å
183	R	91.1	Very high	93.4	Very high	141 Å²	141	57.9 Å²	57.9	53%	0.532	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	159	179.7	-72.8	179.6	154.6	163.8	-6.8	112.1	R179 Y180 E181 Y185 D517	R179-R183 VanDerWaalsContact CA-O 3.29Å; R179-R183 WeakPolarHBondContact CA-O 3.5Å; Y180-R183 PolarHBondContact N-O 2.95Å; Y180-R183 PolarHBondContact O-N 3.43Å; E181-R183 PolarHBondContact O-N 3.16Å; R183-Y185 HydrophobicContact CB-CE2 3.89Å; R183-D517 IonicContact CZ-OD1 2.69Å; R183-D517 IonicContact NE-OD1 2.72Å; R183-D517 IonicContact NH2-OD1 2.7Å; R183-D517 PolarHBondContact NH2-OD1 2.86Å
184	V	95.3	Very high	93.8	Very high	32 Å²	32	58.5 Å²	58.5	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125	177.1	178.5	0	0	0	0	109.7	E151 L154 L178	E151-V184 HydrophobicContact CG-CB 4.05Å; E151-V184 HydrophobicContact CG-CG1 3.97Å; L154-V184 HydrophobicContact CB-CG2 3.82Å; L154-V184 HydrophobicContact CD1-CG1 3.73Å; L154-V184 HydrophobicContact CD1-CG2 4.3Å; L178-V184 CarbonylContact O-C 3.52Å; L178-V184 WeakPolarHBondContact O-CA 3.36Å
185	Y	94.8	Very high	93.7	Very high	81 Å²	81	57.9 Å²	57.9	32%	0.318	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.8	-179.3	-64.6	-101.3	0	0	0	109.3	S177 L178 R183 I223	S177-Y185 CarbonylContact C-O 3.51Å; S177-Y185 WeakPolarHBondContact CA-O 3.39Å; L178-Y185 PolarHBondContact N-O 3.26Å; L178-Y185 PolarHBondContact O-N 3.42Å; R183-Y185 HydrophobicContact CB-CE2 3.89Å; Y185-I223 HydrophobicContact CD1-CG2 4.36Å; Y185-I223 HydrophobicContact CD2-CG2 3.81Å; Y185-I223 HydrophobicContact CE1-CG1 4.4Å; Y185-I223 HydrophobicContact CE2-CG1 4.39Å; Y185-I223 HydrophobicContact CE2-CG2 4.2Å; Y185-I223 HydrophobicContact CG-CG2 3.91Å
186	H	93.5	Very high	93.6	Very high	43 Å²	43	60.5 Å²	60.5	20%	0.199	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.8	-178.9	-60.1	-96.5	0	0	0	110.6	R147 E151 R165 I176 S177	R147-H186 WeakPolarHBondContact CG-CE1 3.39Å; R147-H186 WeakPolarHBondContact CG-NE2 3.45Å; R147-H186 PolarHBondContact NE-NE2 2.92Å; E151-H186 WeakPolarHBondContact CG-NE2 3.39Å; E151-H186 IonicContact OE1-CD2 3.88Å; E151-H186 IonicContact OE1-CE1 2.69Å; E151-H186 IonicContact OE1-NE2 2.73Å; E151-H186 PolarHBondContact OE1-NE2 3.04Å; R165-H186 PolarHBondContact NH2-ND1 3.28Å; I176-H186 CarbonylContact O-C 3.54Å; I176-H186 WeakPolarHBondContact O-CA 3.27Å; S177-H186 PolarHBondContact OG-CE1 2.72Å; S177-H186 VanDerWaalsContact OG-CE1 3.3Å; S177-H186 PolarHBondContact OG-ND1 2.75Å
187	Y	94	Very high	93.5	Very high	42 Å²	42	61.6 Å²	61.6	17%	0.165	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.1	-178.9	-59.9	-93.3	0	0	0	109.6	S175 I176 L178 V199 L222 I223	S175-Y187 CarbonylContact C-O 3.59Å; S175-Y187 WeakPolarHBondContact CA-O 3.47Å; S175-Y187 WeakPolarHBondContact CB-O 3.35Å; I176-Y187 PolarHBondContact N-O 3.31Å; I176-Y187 PolarHBondContact O-N 3.31Å; L178-Y187 HydrophobicContact CB-CE2 4.39Å; L178-Y187 HydrophobicContact CD2-CE2 4.17Å; Y187-V199 HydrophobicContact CD1-CG1 4.16Å; Y187-L222 HydrophobicContact CD1-CD2 3.55Å; Y187-L222 HydrophobicContact CD2-CD2 3.7Å; Y187-L222 HydrophobicContact CE1-CD2 3.76Å; Y187-L222 HydrophobicContact CE2-CD2 3.91Å; Y187-L222 HydrophobicContact CG-CD2 3.52Å; Y187-I223 WeakPolarHBondContact OH-CB 3.36Å; Y187-I223 WeakPolarHBondContact OH-CG2 3.48Å; Y187-I223 PolarHBondContact OH-N 2.9Å
188	R	92.4	Very high	93.4	Very high	155 Å²	155	64 Å²	64	59%	0.585	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.8	173.6	-169.9	-179.8	70.3	-160.1	1.1	109.6	N190	R188-N190 VanDerWaalsContact CZ-OD1 3.3Å; R188-N190 PolarHBondContact NE-OD1 2.94Å; R188-N190 PolarHBondContact NH2-OD1 3.48Å; R188-N190 PolarHBondContact O-N 3.33Å
189	I	94.4	Very high	93.3	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	115.7	170.1	-54.5	-178.8	0	0	0	106.9	V164 R174 I176 L197 L208 L211	V164-I189 HydrophobicContact CG1-CD1 3.86Å; R174-I189 HydrophobicContact CB-CB 4.3Å; R174-I189 HydrophobicContact CB-CD1 4.1Å; R174-I189 HydrophobicContact CB-CG1 4.48Å; R174-I189 PolarHBondContact O-N 2.85Å; I176-I189 HydrophobicContact CD1-CD1 4.43Å; I176-I189 HydrophobicContact CD1-CG1 4.47Å; I176-I189 HydrophobicContact CG1-CD1 3.8Å; I176-I189 HydrophobicContact CG1-CG1 3.89Å; I189-L197 HydrophobicContact CG2-CB 4.07Å; I189-L197 HydrophobicContact CG2-CD2 4.41Å; I189-L208 HydrophobicContact CD1-CD1 3.52Å; I189-L211 HydrophobicContact CD1-CD2 4.45Å; I189-L211 HydrophobicContact CG2-CD1 3.88Å
190	N	92.4	Very high	93.1	Very high	31 Å²	31	63.5 Å²	63.5	17%	0.166	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	149.2	179.6	-55.9	-68.3	0	0	0	110	R188 L197 Y198	R188-N190 VanDerWaalsContact CZ-OD1 3.3Å; R188-N190 PolarHBondContact NE-OD1 2.94Å; R188-N190 PolarHBondContact NH2-OD1 3.48Å; R188-N190 PolarHBondContact O-N 3.33Å; N190-L197 WeakPolarHBondContact O-CA 3.3Å; N190-Y198 HydrophobicContact CB-CD1 4.06Å; N190-Y198 HydrophobicContact CB-CD2 4.13Å; N190-Y198 HydrophobicContact CB-CE1 3.61Å; N190-Y198 HydrophobicContact CB-CE2 3.7Å; N190-Y198 HydrophobicContact CB-CG 4.3Å; N190-Y198 VanDerWaalsContact CB-CZ 3.41Å; N190-Y198 PolarHBondContact N-O 2.97Å; N190-Y198 WeakPolarHBondContact O-CD1 3.46Å; N190-Y198 PolarHBondContact O-N 2.96Å
191	T	92.6	Very high	92.8	Very high	78 Å²	78	63 Å²	63	48%	0.479	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.9	172.7	-48.2	0	0	0	0	109	K196 L197	T191-K196 CarbonylContact C-O 3.6Å; T191-K196 WeakPolarHBondContact CA-O 3.44Å; T191-L197 HydrophobicContact CG2-CD2 4.22Å
192	A	92.5	Very high	92.8	Very high	16 Å²	16	63.4 Å²	63.4	13%	0.132	34%	0.343	C	S	.	.			trans	-81.8	168.1	175.3	0	0	0	0	0	111.7	D194 G195 K196 Y198	A192-D194 WeakPolarHBondContact CB-OD1 3.5Å; A192-D194 PolarHBondContact O-N 3.12Å; A192-G195 WeakPolarHBondContact O-CA 3.4Å; A192-G195 PolarHBondContact O-N 2.85Å; A192-K196 HydrophobicContact CB-CB 4.49Å; A192-K196 PolarHBondContact N-O 3.13Å; A192-Y198 HydrophobicContact CB-CD1 4.27Å; A192-Y198 HydrophobicContact CB-CE1 3.93Å
193	S	92.6	Very high	93.1	Very high	138 Å²	138	61.8 Å²	61.8	97%	0.965	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.2	179.5	48.4	0	0	0	0	114.3	G195	S193-G195 VanDerWaalsContact C-N 3.31Å
194	D	92.7	Very high	93.3	Very high	86 Å²	86	61.1 Å²	61.1	46%	0.46	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	11.6	171.4	67.1	-15.3	0	0	0	113	A192 K196	A192-D194 WeakPolarHBondContact CB-OD1 3.5Å; A192-D194 PolarHBondContact O-N 3.12Å; D194-K196 VanDerWaalsContact C-N 3.25Å; D194-K196 PolarHBondContact O-N 3.36Å; D194-K196 WeakPolarHBondContact OD1-CB 3.27Å; D194-K196 PolarHBondContact OD1-N 3.1Å; D194-K196 WeakPolarHBondContact OD2-CD 3.37Å; D194-K196 IonicContact OD2-NZ 2.63Å; D194-K196 PolarHBondContact OD2-NZ 3.48Å
195	G	90.9	Very high	93.2	Very high	46 Å²	46	61.2 Å²	61.2	47%	0.474	32%	0.319	S	S	.	.	S	Bend	trans	79.7	-6.5	179.8	0	0	0	0	0	115.2	A192 S193	A192-G195 WeakPolarHBondContact O-CA 3.4Å; A192-G195 PolarHBondContact O-N 2.85Å; S193-G195 VanDerWaalsContact C-N 3.31Å
196	K	94	Very high	93.1	Very high	72 Å²	72	61.9 Å²	61.9	31%	0.313	33%	0.332	S	S	.	.			trans	-67.3	143.2	-178.7	-67.2	-168.3	-173.8	101.5	0	112.3	T191 A192 D194 R204 F205	T191-K196 CarbonylContact C-O 3.6Å; T191-K196 WeakPolarHBondContact CA-O 3.44Å; A192-K196 HydrophobicContact CB-CB 4.49Å; A192-K196 PolarHBondContact N-O 3.13Å; D194-K196 VanDerWaalsContact C-N 3.25Å; D194-K196 PolarHBondContact O-N 3.36Å; D194-K196 WeakPolarHBondContact OD1-CB 3.27Å; D194-K196 PolarHBondContact OD1-N 3.1Å; D194-K196 WeakPolarHBondContact OD2-CD 3.37Å; D194-K196 IonicContact OD2-NZ 2.63Å; D194-K196 PolarHBondContact OD2-NZ 3.48Å; K196-R204 HydrophobicContact CB-CB 4Å; K196-R204 HydrophobicContact CD-CB 3.97Å; K196-F205 CarbonylContact C-O 3.59Å; K196-F205 VanDerWaalsContact CA-O 3.22Å; K196-F205 WeakPolarHBondContact CA-O 3.43Å; K196-F205 VanDerWaalsContact CB-O 3.29Å; K196-F205 WeakPolarHBondContact CB-O 3.3Å
197	L	94.4	Very high	93	Very high	24 Å²	24	62.6 Å²	62.6	13%	0.126	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141	178.1	-57.6	179	0	0	0	110.4	I189 N190 T191 F205 L208 L211	I189-L197 HydrophobicContact CG2-CB 4.07Å; I189-L197 HydrophobicContact CG2-CD2 4.41Å; N190-L197 WeakPolarHBondContact O-CA 3.3Å; T191-L197 HydrophobicContact CG2-CD2 4.22Å; L197-F205 PolarHBondContact N-O 2.85Å; L197-F205 PolarHBondContact O-N 3.34Å; L197-L208 HydrophobicContact CD1-CB 3.91Å; L197-L208 HydrophobicContact CD1-CD1 4.19Å; L197-L211 HydrophobicContact CB-CD1 3.83Å
198	Y	94.5	Very high	92.9	Very high	50 Å²	50	61 Å²	61	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	155.9	177.4	67.5	-82.4	0	0	0	112.8	N190 A192 S200 S203 R204	N190-Y198 HydrophobicContact CB-CD1 4.06Å; N190-Y198 HydrophobicContact CB-CD2 4.13Å; N190-Y198 HydrophobicContact CB-CE1 3.61Å; N190-Y198 HydrophobicContact CB-CE2 3.7Å; N190-Y198 HydrophobicContact CB-CG 4.3Å; N190-Y198 VanDerWaalsContact CB-CZ 3.41Å; N190-Y198 PolarHBondContact N-O 2.97Å; N190-Y198 WeakPolarHBondContact O-CD1 3.46Å; N190-Y198 PolarHBondContact O-N 2.96Å; A192-Y198 HydrophobicContact CB-CD1 4.27Å; A192-Y198 HydrophobicContact CB-CE1 3.93Å; Y198-S200 WeakPolarHBondContact CD2-O 3.38Å; Y198-S203 VanDerWaalsContact CB-O 3.27Å; Y198-S203 WeakPolarHBondContact CB-O 3.4Å; Y198-R204 HydrophobicContact CD1-CG 4.42Å; Y198-R204 HydrophobicContact CG-CG 4.29Å
199	V	94.3	Very high	92.8	Very high	23 Å²	23	54.3 Å²	54.3	14%	0.139	31%	0.312	C	S	.	.	S	Bend	trans	-100.8	-61.3	161	179.7	0	0	0	0	108.1	I176 Y187 L211 L222	I176-V199 HydrophobicContact CD1-CG2 3.89Å; Y187-V199 HydrophobicContact CD1-CG1 4.16Å; V199-L211 HydrophobicContact CG2-CD2 4.41Å; V199-L222 HydrophobicContact CG1-CD2 3.96Å
200	S	92.3	Very high	92.6	Very high	15 Å²	15	57.2 Å²	57.2	11%	0.105	33%	0.325	C	S	.	.	S	Bend	trans	-85.6	137.1	174.2	-54.4	0	0	0	0	110.5	Y198 E202 S203 D220	Y198-S200 WeakPolarHBondContact CD2-O 3.38Å; S200-E202 PolarHBondContact O-N 2.89Å; S200-E202 VanDerWaalsContact O-N 3.13Å; S200-S203 PolarHBondContact O-N 3.45Å; S200-D220 PolarHBondContact OG-O 2.88Å
201	S	91.3	Very high	92.7	Very high	67 Å²	67	55.7 Å²	55.7	47%	0.469	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-167.9	72	0	0	0	0	115.3	R204	S201-R204 VanDerWaalsContact O-CZ 3.32Å; S201-R204 PolarHBondContact O-NE 2.94Å; S201-R204 PolarHBondContact O-NH2 2.94Å
202	E	91.7	Very high	92.8	Very high	134 Å²	134	52 Å²	52	63%	0.626	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-29.4	-177.9	45.7	-90.5	-136	0	0	112.8	S200	S200-E202 PolarHBondContact O-N 2.89Å; S200-E202 VanDerWaalsContact O-N 3.13Å
203	S	93.1	Very high	92.8	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.14	30%	0.3	C	S	.	.			trans	-114.3	95.3	-172.7	-67.5	0	0	0	0	110.7	Y198 S200 F205 D220	Y198-S203 VanDerWaalsContact CB-O 3.27Å; Y198-S203 WeakPolarHBondContact CB-O 3.4Å; S200-S203 PolarHBondContact O-N 3.45Å; S203-F205 VanDerWaalsContact O-CE2 3.25Å; S203-F205 WeakPolarHBondContact O-CE2 3.31Å; S203-D220 WeakPolarHBondContact CB-OD2 3.19Å; S203-D220 PolarHBondContact OG-OD2 2.84Å
204	R	95	Very high	92.8	Very high	127 Å²	127	49.5 Å²	49.5	48%	0.479	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.7	-173.8	-47.6	-169.7	-169.5	167.6	7	112.3	K196 Y198 S201	K196-R204 HydrophobicContact CB-CB 4Å; K196-R204 HydrophobicContact CD-CB 3.97Å; Y198-R204 HydrophobicContact CD1-CG 4.42Å; Y198-R204 HydrophobicContact CG-CG 4.29Å; S201-R204 VanDerWaalsContact O-CZ 3.32Å; S201-R204 PolarHBondContact O-NE 2.94Å; S201-R204 PolarHBondContact O-NH2 2.94Å
205	F	94.1	Very high	93	Very high	34 Å²	34	45.4 Å²	45.4	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.8	-170.5	-55.7	-77.3	0	0	0	111.7	K196 L197 S203 E210 L211 H214	K196-F205 CarbonylContact C-O 3.59Å; K196-F205 VanDerWaalsContact CA-O 3.22Å; K196-F205 WeakPolarHBondContact CA-O 3.43Å; K196-F205 VanDerWaalsContact CB-O 3.29Å; K196-F205 WeakPolarHBondContact CB-O 3.3Å; L197-F205 PolarHBondContact N-O 2.85Å; L197-F205 PolarHBondContact O-N 3.34Å; S203-F205 VanDerWaalsContact O-CE2 3.25Å; S203-F205 WeakPolarHBondContact O-CE2 3.31Å; F205-E210 HydrophobicContact CB-CB 3.81Å; F205-E210 HydrophobicContact CD1-CB 3.97Å; F205-E210 HydrophobicContact CG-CB 4.17Å; F205-L211 HydrophobicContact CB-CB 4.06Å; F205-L211 HydrophobicContact CD2-CB 3.68Å; F205-L211 HydrophobicContact CD2-CD1 4.22Å; F205-L211 HydrophobicContact CD2-CG 3.89Å; F205-L211 HydrophobicContact CE2-CG 4.45Å; F205-L211 HydrophobicContact CG-CB 4.03Å; F205-H214 HydrophobicContact CE1-CB 3.69Å; F205-H214 AromaticContact CE1-CG 3.9Å; F205-H214 HydrophobicContact CE2-CB 4.06Å; F205-H214 AromaticContact CE2-CD2 3.89Å; F205-H214 HydrophobicContact CZ-CB 3.4Å; F205-H214 AromaticContact CZ-CD2 3.45Å; F205-H214 VanDerWaalsContact CZ-CD2 3.45Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.28Å; F205-H214 AromaticContact CZ-CG 3.26Å; F205-H214 AromaticContact CZ-ND1 3.73Å; F205-H214 AromaticContact CZ-NE2 3.96Å
206	T	93	Very high	93.1	Very high	94 Å²	94	44 Å²	44	58%	0.577	23%	0.226	S	C	*	.	S	Bend	trans	-81.5	-32	179	74.4	0	0	0	0	111.7	E210	T206-E210 WeakPolarHBondContact CA-OE2 3.33Å; T206-E210 WeakPolarHBondContact CB-OE2 3.27Å; T206-E210 PolarHBondContact N-OE2 3.41Å; T206-E210 VanDerWaalsContact OG1-CD 3.31Å; T206-E210 PolarHBondContact OG1-OE1 3.12Å; T206-E210 VanDerWaalsContact OG1-OE1 3.04Å; T206-E210 PolarHBondContact OG1-OE2 2.95Å
207	T	90.8	Very high	93	Very high	58 Å²	58	44.8 Å²	44.8	36%	0.356	24%	0.236	S	C	.	.	S	Bend	trans	-121.7	158.4	178	72.6	0	0	0	0	112.9	A209 E210 L211	T207-A209 PolarHBondContact O-N 3.27Å; T207-E210 PolarHBondContact N-OE2 3.43Å; T207-E210 PolarHBondContact O-N 3.41Å; T207-E210 VanDerWaalsContact OG1-CG 3.3Å; T207-E210 WeakPolarHBondContact OG1-CG 3.36Å; T207-E210 PolarHBondContact OG1-N 3.31Å; T207-E210 VanDerWaalsContact OG1-N 3.16Å; T207-L211 PolarHBondContact O-N 3.26Å
208	L	91.8	Very high	92.9	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-66.5	-28.9	174.3	-173.8	60.8	0	0	0	112.1	L135 W140 Y141 V164 I189 L197 V212	L135-L208 HydrophobicContact CD1-CD2 3.96Å; L135-L208 HydrophobicContact CD2-CB 4.34Å; L135-L208 HydrophobicContact CD2-CD2 4.19Å; W140-L208 HydrophobicContact CH2-CB 4.46Å; W140-L208 HydrophobicContact CH2-CD2 4.17Å; W140-L208 HydrophobicContact CH2-CG 3.89Å; W140-L208 HydrophobicContact CZ3-CD2 3.86Å; W140-L208 HydrophobicContact CZ3-CG 3.89Å; Y141-L208 HydrophobicContact CD2-CD2 3.91Å; Y141-L208 HydrophobicContact CE2-CD2 3.87Å; V164-L208 HydrophobicContact CG1-CD1 4.32Å; V164-L208 HydrophobicContact CG1-CD2 4.16Å; I189-L208 HydrophobicContact CD1-CD1 3.52Å; L197-L208 HydrophobicContact CD1-CB 3.91Å; L197-L208 HydrophobicContact CD1-CD1 4.19Å; L208-V212 WeakPolarHBondContact O-CG2 3.33Å; L208-V212 PolarHBondContact O-N 3.08Å
209	A	90.7	Very high	92.8	Very high	16 Å²	16	49.1 Å²	49.1	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-72.2	-37.1	177.6	0	0	0	0	0	112.6	L67 W140 T207 H213	L67-A209 HydrophobicContact CD2-CB 4.19Å; W140-A209 HydrophobicContact CZ2-CB 4.29Å; T207-A209 PolarHBondContact O-N 3.27Å; A209-H213 WeakPolarHBondContact O-CB 3.45Å; A209-H213 PolarHBondContact O-N 2.87Å
210	E	91.1	Very high	92.7	Very high	64 Å²	64	50.2 Å²	50.2	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-47.8	170.4	-76.2	161.3	-168.6	0	0	111.5	L67 F205 T206 T207 V212 H213 H214	L67-E210 HydrophobicContact CD2-CG 4.28Å; F205-E210 HydrophobicContact CB-CB 3.81Å; F205-E210 HydrophobicContact CD1-CB 3.97Å; F205-E210 HydrophobicContact CG-CB 4.17Å; T206-E210 WeakPolarHBondContact CA-OE2 3.33Å; T206-E210 WeakPolarHBondContact CB-OE2 3.27Å; T206-E210 PolarHBondContact N-OE2 3.41Å; T206-E210 VanDerWaalsContact OG1-CD 3.31Å; T206-E210 PolarHBondContact OG1-OE1 3.12Å; T206-E210 VanDerWaalsContact OG1-OE1 3.04Å; T206-E210 PolarHBondContact OG1-OE2 2.95Å; T207-E210 PolarHBondContact N-OE2 3.43Å; T207-E210 PolarHBondContact O-N 3.41Å; T207-E210 VanDerWaalsContact OG1-CG 3.3Å; T207-E210 WeakPolarHBondContact OG1-CG 3.36Å; T207-E210 PolarHBondContact OG1-N 3.31Å; T207-E210 VanDerWaalsContact OG1-N 3.16Å; E210-V212 PolarHBondContact O-N 3.12Å; E210-H213 PolarHBondContact O-N 3.16Å; E210-H213 VanDerWaalsContact O-N 3.15Å; E210-H214 PolarHBondContact O-N 2.99Å
211	L	94.6	Very high	92.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-47.6	178.1	-175.3	154.5	0	0	0	111.7	I176 I189 L197 V199 F205 T207 H213 H214 H215	I176-L211 HydrophobicContact CD1-CD2 3.93Å; I189-L211 HydrophobicContact CD1-CD2 4.45Å; I189-L211 HydrophobicContact CG2-CD1 3.88Å; L197-L211 HydrophobicContact CB-CD1 3.83Å; V199-L211 HydrophobicContact CG2-CD2 4.41Å; F205-L211 HydrophobicContact CB-CB 4.06Å; F205-L211 HydrophobicContact CD2-CB 3.68Å; F205-L211 HydrophobicContact CD2-CD1 4.22Å; F205-L211 HydrophobicContact CD2-CG 3.89Å; F205-L211 HydrophobicContact CE2-CG 4.45Å; F205-L211 HydrophobicContact CG-CB 4.03Å; T207-L211 PolarHBondContact O-N 3.26Å; L211-H213 VanDerWaalsContact C-N 3.31Å; L211-H213 PolarHBondContact O-N 2.97Å; L211-H214 PolarHBondContact O-N 3.03Å; L211-H215 PolarHBondContact O-CD2 3.32Å; L211-H215 VanDerWaalsContact O-CD2 3.26Å; L211-H215 PolarHBondContact O-N 3.02Å; L211-H215 VanDerWaalsContact O-N 3.12Å
212	V	94.6	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-34.4	176.9	171.6	0	0	0	0	111.5	W61 W140 F162 V164 L208 E210 S216 L226	W61-V212 HydrophobicContact CH2-CG1 4.33Å; W61-V212 HydrophobicContact CZ3-CG1 4.24Å; W140-V212 HydrophobicContact CD2-CB 4.5Å; W140-V212 HydrophobicContact CD2-CG1 4Å; W140-V212 HydrophobicContact CD2-CG2 4.21Å; W140-V212 HydrophobicContact CE3-CG2 4.03Å; W140-V212 HydrophobicContact CG-CG1 4.17Å; W140-V212 HydrophobicContact CH2-CB 4.46Å; W140-V212 HydrophobicContact CH2-CG2 4.03Å; W140-V212 HydrophobicContact CZ2-CB 4.13Å; W140-V212 HydrophobicContact CZ2-CG1 4.29Å; W140-V212 HydrophobicContact CZ2-CG2 4.17Å; W140-V212 HydrophobicContact CZ3-CG2 3.95Å; F162-V212 HydrophobicContact CE2-CG1 3.69Å; F162-V212 HydrophobicContact CZ-CG1 3.76Å; V164-V212 HydrophobicContact CG2-CG2 3.85Å; L208-V212 WeakPolarHBondContact O-CG2 3.33Å; L208-V212 PolarHBondContact O-N 3.08Å; E210-V212 PolarHBondContact O-N 3.12Å; V212-S216 WeakPolarHBondContact O-CB 3.24Å; V212-S216 PolarHBondContact O-N 2.8Å; V212-L226 HydrophobicContact CG1-CD1 4.3Å
213	H	91.6	Very high	93.2	Very high	54 Å²	54	46 Å²	46	25%	0.25	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-46.9	174.1	-178.7	18.9	0	0	0	112.6	W61 S63 L67 A209 E210 L211 H215 S216 T217	W61-H213 HydrophobicContact CH2-CB 4.21Å; W61-H213 HydrophobicContact CZ3-CB 4.36Å; S63-H213 VanDerWaalsContact CB-CG 3.47Å; S63-H213 VanDerWaalsContact CB-ND1 3.33Å; S63-H213 WeakPolarHBondContact CB-ND1 3.08Å; S63-H213 PolarHBondContact OG-CE1 3.04Å; S63-H213 PolarHBondContact OG-ND1 2.7Å; S63-H213 VanDerWaalsContact OG-ND1 3.09Å; S63-H213 PolarHBondContact OG-NE2 2.98Å; S63-H213 VanDerWaalsContact OG-NE2 3.12Å; L67-H213 HydrophobicContact CD1-CB 4.17Å; L67-H213 WeakPolarHBondContact CD1-CD2 3.43Å; A209-H213 WeakPolarHBondContact O-CB 3.45Å; A209-H213 PolarHBondContact O-N 2.87Å; E210-H213 PolarHBondContact O-N 3.16Å; E210-H213 VanDerWaalsContact O-N 3.15Å; L211-H213 VanDerWaalsContact C-N 3.31Å; L211-H213 PolarHBondContact O-N 2.97Å; H213-H215 PolarHBondContact O-N 3.34Å; H213-S216 PolarHBondContact ND1-OG 3Å; H213-S216 WeakPolarHBondContact O-CB 3.44Å; H213-S216 PolarHBondContact O-N 3.19Å; H213-S216 PolarHBondContact O-OG 3.3Å; H213-T217 PolarHBondContact O-N 2.97Å
214	H	93.5	Very high	93.3	Very high	48 Å²	48	45.9 Å²	45.9	22%	0.222	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-50.8	177.7	176.3	82.7	0	0	0	111.3	F205 E210 L211 S216 T217 V218 D220	F205-H214 HydrophobicContact CE1-CB 3.69Å; F205-H214 AromaticContact CE1-CG 3.9Å; F205-H214 HydrophobicContact CE2-CB 4.06Å; F205-H214 AromaticContact CE2-CD2 3.89Å; F205-H214 HydrophobicContact CZ-CB 3.4Å; F205-H214 AromaticContact CZ-CD2 3.45Å; F205-H214 VanDerWaalsContact CZ-CD2 3.45Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.28Å; F205-H214 AromaticContact CZ-CG 3.26Å; F205-H214 AromaticContact CZ-ND1 3.73Å; F205-H214 AromaticContact CZ-NE2 3.96Å; E210-H214 PolarHBondContact O-N 2.99Å; L211-H214 PolarHBondContact O-N 3.03Å; H214-S216 PolarHBondContact O-N 3.22Å; H214-S216 VanDerWaalsContact O-N 3.17Å; H214-T217 PolarHBondContact O-N 3.16Å; H214-T217 VanDerWaalsContact O-N 3.07Å; H214-T217 PolarHBondContact O-OG1 3.28Å; H214-V218 WeakPolarHBondContact O-CG2 3.16Å; H214-V218 PolarHBondContact O-N 2.73Å; H214-V218 VanDerWaalsContact O-N 3.08Å; H214-D220 IonicContact CD2-OD2 3.9Å; H214-D220 IonicContact CE1-OD2 3.91Å; H214-D220 IonicContact NE2-OD2 2.88Å; H214-D220 PolarHBondContact NE2-OD2 3.08Å
215	H	95.1	Very high	93.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.5	-7.7	177.9	-68.1	-66.7	0	0	0	114.3	L211 H213 V218 Q219 D220 L222 T225 L226	L211-H215 PolarHBondContact O-CD2 3.32Å; L211-H215 VanDerWaalsContact O-CD2 3.26Å; L211-H215 PolarHBondContact O-N 3.02Å; L211-H215 VanDerWaalsContact O-N 3.12Å; H213-H215 PolarHBondContact O-N 3.34Å; H215-V218 CarbonylContact C-O 3.48Å; H215-V218 VanDerWaalsContact CA-O 3.29Å; H215-V218 WeakPolarHBondContact CA-O 3.27Å; H215-Q219 PolarHBondContact ND1-O 2.71Å; H215-D220 PolarHBondContact CE1-O 3.25Å; H215-D220 IonicContact CE1-OD2 3.77Å; H215-L222 HydrophobicContact CB-CD1 3.66Å; H215-T225 WeakPolarHBondContact O-CA 3.49Å; H215-L226 HydrophobicContact CB-CD1 3.57Å; H215-L226 HydrophobicContact CB-CG 3.82Å; H215-L226 WeakPolarHBondContact O-CG 3.47Å; H215-L226 PolarHBondContact O-N 3.21Å
216	S	93.6	Very high	93.5	Very high	17 Å²	17	39 Å²	39	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-81.8	-16.5	169.7	82.5	0	0	0	0	113.3	V212 H213 H214 L226	V212-S216 WeakPolarHBondContact O-CB 3.24Å; V212-S216 PolarHBondContact O-N 2.8Å; H213-S216 PolarHBondContact ND1-OG 3Å; H213-S216 WeakPolarHBondContact O-CB 3.44Å; H213-S216 PolarHBondContact O-N 3.19Å; H213-S216 PolarHBondContact O-OG 3.3Å; H214-S216 PolarHBondContact O-N 3.22Å; H214-S216 VanDerWaalsContact O-N 3.17Å; S216-L226 WeakPolarHBondContact CA-O 3.48Å; S216-L226 WeakPolarHBondContact CB-O 3.38Å
217	T	91.8	Very high	93.5	Very high	87 Å²	87	37.1 Å²	37.1	53%	0.534	21%	0.214	S	C	.	.	H	α-helix	trans	-108.8	-33.9	179.8	62.6	0	0	0	0	113	H213 H214	H213-T217 PolarHBondContact O-N 2.97Å; H214-T217 PolarHBondContact O-N 3.16Å; H214-T217 VanDerWaalsContact O-N 3.07Å; H214-T217 PolarHBondContact O-OG1 3.28Å
218	V	92.3	Very high	93.7	Very high	67 Å²	67	37.6 Å²	37.6	41%	0.406	21%	0.209	S	C	.	.			trans	-129.4	150.4	177.4	-67.5	0	0	0	0	111.2	H214 H215 D220	H214-V218 WeakPolarHBondContact O-CG2 3.16Å; H214-V218 PolarHBondContact O-N 2.73Å; H214-V218 VanDerWaalsContact O-N 3.08Å; H215-V218 CarbonylContact C-O 3.48Å; H215-V218 VanDerWaalsContact CA-O 3.29Å; H215-V218 WeakPolarHBondContact CA-O 3.27Å; V218-D220 HydrophobicContact CG2-CB 3.99Å
219	Q	91.9	Very high	93.8	Very high	99 Å²	99	38.3 Å²	38.3	46%	0.463	21%	0.214	S	C	.	.			trans	-71	-51.8	-179.7	-61.9	-176	-20	0	0	111.3	H215 G221 L222 T225	H215-Q219 PolarHBondContact ND1-O 2.71Å; Q219-G221 PolarHBondContact O-N 2.88Å; Q219-L222 VanDerWaalsContact O-CB 3.32Å; Q219-L222 WeakPolarHBondContact O-CB 3.27Å; Q219-L222 WeakPolarHBondContact O-CG 3.42Å; Q219-L222 PolarHBondContact O-N 3.21Å; Q219-T225 HydrophobicContact CG-CG2 4.05Å
220	D	92.6	Very high	94	Very high	46 Å²	46	37.7 Å²	37.7	25%	0.246	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	56.4	170.8	-165.9	43	0	0	0	114.3	S200 S203 H214 H215 V218	S200-D220 PolarHBondContact OG-O 2.88Å; S203-D220 WeakPolarHBondContact CB-OD2 3.19Å; S203-D220 PolarHBondContact OG-OD2 2.84Å; H214-D220 IonicContact CD2-OD2 3.9Å; H214-D220 IonicContact CE1-OD2 3.91Å; H214-D220 IonicContact NE2-OD2 2.88Å; H214-D220 PolarHBondContact NE2-OD2 3.08Å; H215-D220 PolarHBondContact CE1-O 3.25Å; H215-D220 IonicContact CE1-OD2 3.77Å; V218-D220 HydrophobicContact CG2-CB 3.99Å
221	G	92	Very high	93.9	Very high	59 Å²	59	38.2 Å²	38.2	61%	0.608	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	-12.7	-178.2	0	0	0	0	0	115.2	Q219	Q219-G221 PolarHBondContact O-N 2.88Å
222	L	96.2	Very high	93.5	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.052	23%	0.228	C	C	.	.	S	Bend	trans	-79.2	158.6	164.8	-54.6	-173.5	0	0	0	111.3	L178 Y187 V199 H215 Q219 T224 L226	L178-L222 HydrophobicContact CD2-CB 4.16Å; L178-L222 HydrophobicContact CD2-CD1 4.28Å; Y187-L222 HydrophobicContact CD1-CD2 3.55Å; Y187-L222 HydrophobicContact CD2-CD2 3.7Å; Y187-L222 HydrophobicContact CE1-CD2 3.76Å; Y187-L222 HydrophobicContact CE2-CD2 3.91Å; Y187-L222 HydrophobicContact CG-CD2 3.52Å; V199-L222 HydrophobicContact CG1-CD2 3.96Å; H215-L222 HydrophobicContact CB-CD1 3.66Å; Q219-L222 VanDerWaalsContact O-CB 3.32Å; Q219-L222 WeakPolarHBondContact O-CB 3.27Å; Q219-L222 WeakPolarHBondContact O-CG 3.42Å; Q219-L222 PolarHBondContact O-N 3.21Å; L222-T224 VanDerWaalsContact C-N 3.29Å; L222-T224 WeakPolarHBondContact CB-O 3.34Å; L222-T224 PolarHBondContact O-N 3.45Å; L222-L226 HydrophobicContact CD1-CD1 4.29Å; L222-L226 HydrophobicContact CD1-CD2 3.73Å; L222-L226 HydrophobicContact CD1-CG 3.94Å
223	I	97	Very high	92.7	Very high	59 Å²	59	45.9 Å²	45.9	30%	0.303	25%	0.249	S	C	.	.	S	Bend	trans	-69.6	-26.4	175.9	-168.4	62.6	0	0	0	112.7	L178 Y180 Y185 Y187	L178-I223 HydrophobicContact CD2-CG2 3.94Å; L178-I223 HydrophobicContact CG-CG2 4.4Å; Y180-I223 HydrophobicContact CD1-CD1 4.39Å; Y180-I223 HydrophobicContact CD1-CG1 3.52Å; Y180-I223 HydrophobicContact CE1-CD1 4.49Å; Y180-I223 HydrophobicContact CE1-CG1 4.02Å; Y180-I223 HydrophobicContact CG-CG1 4.17Å; Y180-I223 HydrophobicContact CG-CG2 4.39Å; Y185-I223 HydrophobicContact CD1-CG2 4.36Å; Y185-I223 HydrophobicContact CD2-CG2 3.81Å; Y185-I223 HydrophobicContact CE1-CG1 4.4Å; Y185-I223 HydrophobicContact CE2-CG1 4.39Å; Y185-I223 HydrophobicContact CE2-CG2 4.2Å; Y185-I223 HydrophobicContact CG-CG2 3.91Å; Y187-I223 WeakPolarHBondContact OH-CB 3.36Å; Y187-I223 WeakPolarHBondContact OH-CG2 3.48Å; Y187-I223 PolarHBondContact OH-N 2.9Å
224	T	96.8	Very high	92.1	Very high	17 Å²	17	46.1 Å²	46.1	10%	0.104	25%	0.252	C	S	.	.	S	Bend	trans	-159.6	173.5	174.5	-162.9	0	0	0	0	110.9	L178 Y180 L222	L178-T224 HydrophobicContact CD1-CG2 3.89Å; L178-T224 HydrophobicContact CD2-CG2 4.05Å; L178-T224 WeakPolarHBondContact CD2-O 3.41Å; L178-T224 HydrophobicContact CG-CG2 4.15Å; Y180-T224 HydrophobicContact CD2-CG2 3.83Å; Y180-T224 HydrophobicContact CG-CG2 4.22Å; L222-T224 VanDerWaalsContact C-N 3.29Å; L222-T224 WeakPolarHBondContact CB-O 3.34Å; L222-T224 PolarHBondContact O-N 3.45Å
225	T	96.3	Very high	91.7	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.098	26%	0.263	C	S	.	.			trans	-77.5	151.9	-179.7	40.2	0	0	0	0	113.4	G160 H215 Q219 H227	G160-T225 WeakPolarHBondContact CA-O 3Å; H215-T225 WeakPolarHBondContact O-CA 3.49Å; Q219-T225 HydrophobicContact CG-CG2 4.05Å; T225-H227 PolarHBondContact O-N 3.13Å; T225-H227 VanDerWaalsContact O-N 3.13Å; T225-H227 PolarHBondContact OG1-CD2 2.77Å; T225-H227 PolarHBondContact OG1-CE1 3.23Å; T225-H227 PolarHBondContact OG1-NE2 3.07Å
226	L	96.1	Very high	91.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.			trans	-82.5	78.8	179.8	-54.9	-174.6	0	0	0	111.5	F162 I176 L178 V212 H215 S216 L222	F162-L226 HydrophobicContact CB-CD2 3.82Å; F162-L226 HydrophobicContact CD1-CB 3.75Å; F162-L226 HydrophobicContact CD1-CD2 4.4Å; F162-L226 HydrophobicContact CD2-CB 4.06Å; F162-L226 HydrophobicContact CD2-CD1 4.05Å; F162-L226 HydrophobicContact CD2-CD2 3.95Å; F162-L226 HydrophobicContact CD2-CG 4.24Å; F162-L226 HydrophobicContact CE1-CB 3.71Å; F162-L226 WeakPolarHBondContact CE1-O 3.33Å; F162-L226 HydrophobicContact CE2-CB 4.02Å; F162-L226 HydrophobicContact CE2-CD1 4.03Å; F162-L226 HydrophobicContact CE2-CG 4.46Å; F162-L226 HydrophobicContact CG-CB 3.93Å; F162-L226 HydrophobicContact CG-CD2 3.81Å; F162-L226 HydrophobicContact CG-CG 4.31Å; F162-L226 HydrophobicContact CZ-CB 3.85Å; I176-L226 HydrophobicContact CD1-CD1 4.19Å; I176-L226 HydrophobicContact CG2-CD1 4.42Å; I176-L226 HydrophobicContact CG2-CD2 3.94Å; L178-L226 HydrophobicContact CD1-CD2 3.9Å; L178-L226 HydrophobicContact CD2-CD2 4.06Å; L178-L226 HydrophobicContact CG-CD2 4.41Å; V212-L226 HydrophobicContact CG1-CD1 4.3Å; H215-L226 HydrophobicContact CB-CD1 3.57Å; H215-L226 HydrophobicContact CB-CG 3.82Å; H215-L226 WeakPolarHBondContact O-CG 3.47Å; H215-L226 PolarHBondContact O-N 3.21Å; S216-L226 WeakPolarHBondContact CA-O 3.48Å; S216-L226 WeakPolarHBondContact CB-O 3.38Å; L222-L226 HydrophobicContact CD1-CD1 4.29Å; L222-L226 HydrophobicContact CD1-CD2 3.73Å; L222-L226 HydrophobicContact CD1-CG 3.94Å
227	H	92.6	Very high	90.8	Very high	55 Å²	55	51 Å²	51	26%	0.255	28%	0.276	S	S	.	.			trans	-88.2	-40.5	-174.2	-72.4	168.5	0	0	0	115.1	W61 G160 T225	W61-H227 PolarHBondContact N-O 3.13Å; G160-H227 PolarHBondContact O-N 3.08Å; G160-H227 VanDerWaalsContact O-N 3.09Å; T225-H227 PolarHBondContact O-N 3.13Å; T225-H227 VanDerWaalsContact O-N 3.13Å; T225-H227 PolarHBondContact OG1-CD2 2.77Å; T225-H227 PolarHBondContact OG1-CE1 3.23Å; T225-H227 PolarHBondContact OG1-NE2 3.07Å
228	Y	94.8	Very high	90.4	Very high	67 Å²	67	48.8 Å²	48.8	26%	0.263	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	100.6	-164	-52.9	-71.1	0	0	0	112.4	A59 I158 G160 S161 F162 A230	A59-Y228 HydrophobicContact CB-CD1 4.44Å; A59-Y228 HydrophobicContact CB-CE1 4.46Å; A59-Y228 WeakPolarHBondContact O-CD1 3.41Å; I158-Y228 HydrophobicContact CD1-CD2 3.64Å; I158-Y228 HydrophobicContact CD1-CE1 4.46Å; I158-Y228 HydrophobicContact CD1-CE2 3.53Å; I158-Y228 HydrophobicContact CD1-CG 4.17Å; I158-Y228 HydrophobicContact CG1-CD2 3.76Å; I158-Y228 HydrophobicContact CG1-CE2 4.09Å; I158-Y228 HydrophobicContact CG1-CG 4.37Å; G160-Y228 PolarHBondContact O-N 2.85Å; S161-Y228 CarbonylContact C-O 3.47Å; S161-Y228 WeakPolarHBondContact CA-O 3.22Å; F162-Y228 PolarHBondContact N-O 3.03Å; Y228-A230 PolarHBondContact O-N 2.88Å
229	P	94.6	Very high	90	Very high	23 Å²	23	48.1 Å²	48.1	15%	0.149	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	129.4	174.5	-29	37.6	0	0	0	112.8	W61 W140 F162	W61-P229 HydrophobicContact CB-CG 3.95Å; W61-P229 HydrophobicContact CG-CG 4.17Å; W140-P229 HydrophobicContact CB-CB 3.93Å; W140-P229 HydrophobicContact CB-CG 4.16Å; F162-P229 HydrophobicContact CE1-CG 3.97Å; F162-P229 HydrophobicContact CZ-CG 4.17Å; F162-P229 CarbonylContact O-C 3.57Å; F162-P229 WeakPolarHBondContact O-CA 3.47Å
230	A	94	Very high	89.5	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-60.9	129	178.1	0	0	0	0	0	110.6	H142 L154 F162 L163 Y228 K232	H142-A230 PolarHBondContact CE1-O 3.48Å; H142-A230 VanDerWaalsContact CE1-O 3.27Å; H142-A230 PolarHBondContact NE2-O 2.98Å; L154-A230 HydrophobicContact CD2-CB 3.97Å; F162-A230 PolarHBondContact O-N 3.47Å; L163-A230 HydrophobicContact CB-CB 4.01Å; L163-A230 HydrophobicContact CD2-CB 3.87Å; L163-A230 HydrophobicContact CG-CB 4.45Å; Y228-A230 PolarHBondContact O-N 2.88Å; A230-K232 PolarHBondContact O-N 3.35Å
231	P	89.3	Confident	88.9	Confident	75 Å²	75	42.7 Å²	42.7	49%	0.487	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-65.7	126.4	-177.4	-24.6	35	0	0	0	113.1	R233	P231-R233 VanDerWaalsContact C-N 3.27Å; P231-R233 HydrophobicContact CB-CG 3.92Å; P231-R233 PolarHBondContact O-N 3.08Å
232	K	86.9	Confident	88.5	Confident	44 Å²	44	41.2 Å²	41.2	19%	0.191	21%	0.208	C	C	.	.			trans	-71.7	81.2	164.3	-62.3	176.5	-179.2	177	0	108.8	Y83 E136 H138 Y141 A230	Y83-K232 HydrophobicContact CE1-CB 4.13Å; E136-K232 PolarHBondContact O-NZ 2.94Å; H138-K232 PolarHBondContact O-NZ 2.8Å; Y141-K232 WeakPolarHBondContact O-CE 3.27Å; Y141-K232 PolarHBondContact O-NZ 3.28Å; A230-K232 PolarHBondContact O-N 3.35Å
233	R	77.9	Confident	87.8	Confident	117 Å²	117	40.9 Å²	40.9	44%	0.442	21%	0.206	S	C	.	.			trans	-73.9	-53.4	-172.6	-60.5	-171.3	-176.5	163.1	7.5	112.6	S156 P231 K235 N387	S156-R233 PolarHBondContact OG-NH1 3.18Å; S156-R233 PolarHBondContact OG-NH2 2.85Å; P231-R233 VanDerWaalsContact C-N 3.27Å; P231-R233 HydrophobicContact CB-CG 3.92Å; P231-R233 PolarHBondContact O-N 3.08Å; R233-K235 PolarHBondContact O-N 3.24Å; R233-N387 VanDerWaalsContact CB-OD1 3.27Å; R233-N387 WeakPolarHBondContact CB-OD1 3.33Å; R233-N387 WeakPolarHBondContact CD-OD1 3.32Å
234	N	78.3	Confident	87.2	Confident	59 Å²	59	41 Å²	41	32%	0.316	21%	0.207	S	C	.	.	S	Bend	trans	-74.6	124.9	-174.9	-59.2	18.6	0	0	0	109.5	N387	N234-N387 WeakPolarHBondContact OD1-CB 3.48Å; N234-N387 PolarHBondContact OD1-OD1 2.75Å
235	K	85.1	Confident	86.4	Confident	105 Å²	105	48.8 Å²	48.8	46%	0.457	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-69.1	147.8	169.1	-57.9	-170.7	-178.6	-172.5	0	109.5	Y83 D84 Y128 R233	Y83-K235 HydrophobicContact CD1-CG 4.18Å; D84-K235 PolarHBondContact O-NZ 3.02Å; Y128-K235 HydrophobicContact CE1-CB 4.39Å; Y128-K235 HydrophobicContact CE1-CD 4.05Å; Y128-K235 WeakPolarHBondContact OH-CB 3.29Å; R233-K235 PolarHBondContact O-N 3.24Å
236	P	85.3	Confident	85.7	Confident	32 Å²	32	52.2 Å²	52.2	21%	0.208	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-56	142.2	174.3	-24.6	34.2	0	0	0	111.6	Y83 N127 Y128 I238	Y83-P236 HydrophobicContact CD2-CG 4.03Å; Y83-P236 VanDerWaalsContact CE2-CD 3.42Å; Y83-P236 HydrophobicContact CE2-CG 3.61Å; N127-P236 HydrophobicContact CB-CB 4.23Å; N127-P236 WeakPolarHBondContact ND2-CB 3.1Å; Y128-P236 HydrophobicContact CD2-CB 4.23Å; Y128-P236 HydrophobicContact CD2-CG 4.16Å; Y128-P236 HydrophobicContact CE2-CB 3.95Å; Y128-P236 HydrophobicContact CE2-CG 4.15Å; Y128-P236 WeakPolarHBondContact CE2-O 3.42Å; Y128-P236 PolarHBondContact OH-O 2.57Å; P236-I238 PolarHBondContact O-N 3.35Å
237	T	84.3	Confident	85.2	Confident	29 Å²	29	58.3 Å²	58.3	18%	0.178	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66.4	134.5	175.3	-62.7	0	0	0	0	109.7	N127 Y239	N127-T237 PolarHBondContact ND2-O 3.12Å; T237-Y239 HydrophobicContact CG2-CD1 3.86Å; T237-Y239 HydrophobicContact CG2-CE1 3.61Å
238	I	84.9	Confident	85.1	Confident	42 Å²	42	57 Å²	57	22%	0.215	27%	0.274	C	S	.	.			trans	-104.8	127.1	173.1	-49.8	172.6	0	0	0	107.3	F85 W112 P125 Y128 P236 G240	F85-I238 HydrophobicContact CD2-CD1 4.15Å; F85-I238 HydrophobicContact CE2-CD1 4.04Å; W112-I238 HydrophobicContact CH2-CG2 4.32Å; W112-I238 HydrophobicContact CZ2-CG2 3.53Å; P125-I238 HydrophobicContact CB-CD1 4.37Å; P125-I238 HydrophobicContact CB-CG1 4.31Å; P125-I238 HydrophobicContact CG-CD1 3.59Å; P125-I238 HydrophobicContact CG-CG1 4.06Å; Y128-I238 HydrophobicContact CE2-CD1 3.93Å; Y128-I238 HydrophobicContact CE2-CG1 3.75Å; P236-I238 PolarHBondContact O-N 3.35Å; I238-G240 WeakPolarHBondContact CG2-O 3.36Å; I238-G240 PolarHBondContact O-N 3.11Å
239	Y	83.3	Confident	85	Confident	52 Å²	52	56.7 Å²	56.7	20%	0.204	27%	0.274	C	S	.	.	S	Bend	trans	-89.2	84.6	-175.2	-60.1	-50.6	0	0	0	111.5	T237 K307 H308 P309 Q313	T237-Y239 HydrophobicContact CG2-CD1 3.86Å; T237-Y239 HydrophobicContact CG2-CE1 3.61Å; Y239-K307 HydrophobicContact CD1-CB 3.95Å; Y239-K307 HydrophobicContact CD1-CG 4.16Å; Y239-K307 HydrophobicContact CD2-CB 3.94Å; Y239-K307 HydrophobicContact CD2-CD 3.78Å; Y239-K307 HydrophobicContact CD2-CG 4.19Å; Y239-K307 HydrophobicContact CE1-CB 4.01Å; Y239-K307 HydrophobicContact CE2-CB 4.01Å; Y239-K307 HydrophobicContact CG-CB 3.9Å; Y239-K307 HydrophobicContact CG-CD 3.77Å; Y239-K307 HydrophobicContact CG-CG 3.87Å; Y239-H308 WeakPolarHBondContact OH-CA 3.32Å; Y239-P309 WeakPolarHBondContact OH-CD 3.4Å; Y239-Q313 HydrophobicContact CD1-CG 4.31Å; Y239-Q313 VanDerWaalsContact CD1-OE1 3.23Å
240	G	80.4	Confident	84.8	Confident	6 Å²	6	56.5 Å²	56.5	6%	0.062	27%	0.272	C	S	.	.	S	Bend	trans	90.5	177.8	-172.5	0	0	0	0	0	112.7	I238	I238-G240 WeakPolarHBondContact CG2-O 3.36Å; I238-G240 PolarHBondContact O-N 3.11Å
241	V	80.6	Confident	84.7	Confident	26 Å²	26	62.7 Å²	62.7	16%	0.158	30%	0.3	C	S	.	.	S	Bend	trans	-106.1	7.2	-171.5	-58	0	0	0	0	114.8	W274 Y277 L315	V241-W274 HydrophobicContact CG1-CH2 4.45Å; V241-W274 HydrophobicContact CG1-CZ3 4Å; V241-W274 HydrophobicContact CG2-CH2 3.65Å; V241-W274 HydrophobicContact CG2-CZ3 4.05Å; V241-Y277 HydrophobicContact CB-CE2 4.1Å; V241-Y277 HydrophobicContact CG1-CE2 4.17Å; V241-Y277 HydrophobicContact CG2-CE2 4.13Å; V241-L315 HydrophobicContact CG1-CB 4.39Å; V241-L315 HydrophobicContact CG1-CD2 4.26Å
242	S	83.3	Confident	84.9	Confident	28 Å²	28	61.5 Å²	61.5	20%	0.196	29%	0.286	C	S	.	.			trans	-137.1	141.1	-174.2	-167.5	0	0	0	0	112.6	N244	S242-N244 PolarHBondContact O-N 3.45Å; S242-N244 PolarHBondContact OG-N 2.96Å
243	P	82.3	Confident	85.3	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.019	30%	0.301	C	S	.	.	S	Bend	trans	-73.1	-15.6	170.7	31.7	-38.2	0	0	0	113.3	N107 W112 W123	N107-P243 PolarHBondContact ND2-O 2.84Å; W112-P243 HydrophobicContact CB-CB 3.74Å; W112-P243 HydrophobicContact CD2-CB 3.9Å; W112-P243 HydrophobicContact CE3-CB 4.25Å; W112-P243 HydrophobicContact CG-CB 3.69Å; W123-P243 HydrophobicContact CB-CB 4.05Å; W123-P243 HydrophobicContact CB-CG 3.76Å; W123-P243 HydrophobicContact CD2-CB 3.8Å; W123-P243 HydrophobicContact CD2-CG 4.02Å; W123-P243 HydrophobicContact CE3-CB 3.87Å; W123-P243 HydrophobicContact CG-CB 3.89Å; W123-P243 HydrophobicContact CG-CG 3.62Å
244	N	84.4	Confident	86	Confident	60 Å²	60	59.9 Å²	59.9	32%	0.321	29%	0.291	S	S	.	.	S	Bend	trans	-83.1	149.8	-176.8	-58.8	127.3	0	0	0	112.3	S242 K247	S242-N244 PolarHBondContact O-N 3.45Å; S242-N244 PolarHBondContact OG-N 2.96Å; N244-K247 HydrophobicContact CB-CD 3.74Å; N244-K247 HydrophobicContact CB-CG 3.98Å; N244-K247 WeakPolarHBondContact OD1-CE 3.47Å; N244-K247 PolarHBondContact OD1-NZ 3.2Å
245	Y	80.4	Confident	86.9	Confident	181 Å²	181	57.6 Å²	57.6	71%	0.71	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	138	177.6	-168.7	-97.8	0	0	0	113	H108 K247	H108-Y245 AromaticContact CD2-CD2 3.67Å; H108-Y245 AromaticContact NE2-CD2 3.63Å; Y245-K247 PolarHBondContact O-N 3.22Å
246	D	80.3	Confident	87.4	Confident	88 Å²	88	55.5 Å²	55.5	47%	0.471	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	18	174.6	-153.5	45.2	0	0	0	118.3	W248 K304	D246-W248 VanDerWaalsContact C-N 3.26Å; D246-W248 PolarHBondContact O-N 2.92Å; D246-W248 PolarHBondContact OD1-NE1 3.26Å; D246-W248 VanDerWaalsContact OD1-NE1 3.17Å; D246-K304 IonicContact OD1-NZ 2.63Å; D246-K304 PolarHBondContact OD1-NZ 3.21Å; D246-K304 IonicContact OD2-NZ 2.87Å; D246-K304 PolarHBondContact OD2-NZ 3.34Å
247	K	86.9	Confident	87.9	Confident	128 Å²	128	56.9 Å²	56.9	56%	0.557	28%	0.279	S	S	*	.			trans	-76.7	67.7	176.4	-71.8	-162.5	-175.9	170.7	0	113.2	N244 Y245	N244-K247 HydrophobicContact CB-CD 3.74Å; N244-K247 HydrophobicContact CB-CG 3.98Å; N244-K247 WeakPolarHBondContact OD1-CE 3.47Å; N244-K247 PolarHBondContact OD1-NZ 3.2Å; Y245-K247 PolarHBondContact O-N 3.22Å
248	W	89.7	Confident	88.4	Confident	29 Å²	29	60 Å²	60	11%	0.11	29%	0.29	C	S	.	.			trans	-96.9	-23.9	176.4	-55.9	96.7	0	0	0	114.4	D246 M250 K304 L314 G316 V317	D246-W248 VanDerWaalsContact C-N 3.26Å; D246-W248 PolarHBondContact O-N 2.92Å; D246-W248 PolarHBondContact OD1-NE1 3.26Å; D246-W248 VanDerWaalsContact OD1-NE1 3.17Å; W248-M250 PolarHBondContact O-N 3.15Å; W248-K304 HydrophobicContact CD2-CG 4.25Å; W248-K304 HydrophobicContact CG-CD 4.3Å; W248-K304 HydrophobicContact CG-CG 4.28Å; W248-K304 HydrophobicContact CZ2-CB 4.38Å; W248-K304 HydrophobicContact CZ2-CG 4.4Å; W248-L314 HydrophobicContact CD2-CD2 4.12Å; W248-L314 HydrophobicContact CE3-CD2 3.78Å; W248-L314 HydrophobicContact CE3-CG 4.01Å; W248-L314 HydrophobicContact CZ3-CB 4.14Å; W248-L314 HydrophobicContact CZ3-CD2 4.06Å; W248-L314 HydrophobicContact CZ3-CG 4.1Å; W248-L314 WeakPolarHBondContact CZ3-O 3.44Å; W248-G316 CarbonylContact O-C 3.59Å; W248-G316 WeakPolarHBondContact O-CA 3.42Å; W248-V317 HydrophobicContact CB-CG2 4.22Å; W248-V317 PolarHBondContact O-N 2.96Å
249	E	92.8	Very high	88.8	Confident	59 Å²	59	63.5 Å²	63.5	28%	0.276	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-72	121.9	179.9	-90.2	-73.5	134.2	0	0	111.5	V317 T319 R320	E249-V317 WeakPolarHBondContact CA-O 3.35Å; E249-V317 HydrophobicContact CG-CG2 4.38Å; E249-T319 PolarHBondContact OE1-N 2.95Å; E249-T319 PolarHBondContact OE1-OG1 2.66Å; E249-T319 VanDerWaalsContact OE1-OG1 3.07Å; E249-R320 VanDerWaalsContact OE2-CD 3.31Å; E249-R320 WeakPolarHBondContact OE2-CD 3.42Å; E249-R320 VanDerWaalsContact OE2-CG 3.24Å; E249-R320 WeakPolarHBondContact OE2-CG 3.3Å; E249-R320 IonicContact OE2-CZ 3.74Å; E249-R320 IonicContact OE2-NE 2.74Å; E249-R320 PolarHBondContact OE2-NE 2.89Å
250	M	90.6	Very high	89.3	Confident	20 Å²	20	65.5 Å²	65.5	10%	0.099	32%	0.315	C	S	.	.			trans	-121.2	162.4	-179.9	72.9	178.4	75	0	0	112.8	W248 I255 W274 G316 V317 C318 I327	W248-M250 PolarHBondContact O-N 3.15Å; M250-I255 HydrophobicContact SD-CD1 3.78Å; M250-I255 HydrophobicContact SD-CG1 3.99Å; M250-W274 HydrophobicContact CB-CH2 4.2Å; M250-W274 HydrophobicContact CB-CZ2 3.9Å; M250-W274 HydrophobicContact CE-CE3 4.11Å; M250-W274 HydrophobicContact CE-CH2 3.28Å; M250-W274 HydrophobicContact CE-CZ2 3.96Å; M250-W274 HydrophobicContact CE-CZ3 3.38Å; M250-W274 HydrophobicContact CG-CZ2 4.47Å; M250-W274 HydrophobicContact SD-CD2 4.26Å; M250-W274 HydrophobicContact SD-CE3 4.22Å; M250-W274 HydrophobicContact SD-CH2 3.74Å; M250-W274 HydrophobicContact SD-CZ2 3.78Å; M250-W274 HydrophobicContact SD-CZ3 3.97Å; M250-G316 VanDerWaalsContact CE-CA 3.41Å; M250-V317 PolarHBondContact N-O 2.98Å; M250-C318 VanDerWaalsContact CG-SG 3.56Å; M250-C318 PolarHBondContact O-SG 2.81Å; M250-I327 HydrophobicContact CE-CB 3.81Å; M250-I327 HydrophobicContact CE-CD1 3.87Å; M250-I327 HydrophobicContact CE-CG1 3.95Å; M250-I327 HydrophobicContact CE-CG2 4.18Å; M250-I327 HydrophobicContact CG-CD1 4.38Å; M250-I327 HydrophobicContact SD-CB 4.36Å; M250-I327 HydrophobicContact SD-CD1 3.81Å; M250-I327 HydrophobicContact SD-CG1 3.88Å
251	E	91.8	Very high	89.6	Confident	134 Å²	134	68.9 Å²	68.9	63%	0.626	33%	0.331	S	S	*	.			trans	-79.2	127.7	177	-157	-179	136.9	0	0	111.1	T253 D254	E251-T253 HydrophobicContact CG-CG2 4.32Å; E251-T253 VanDerWaalsContact CG-OG1 3.3Å; E251-T253 WeakPolarHBondContact CG-OG1 3.14Å; E251-T253 PolarHBondContact O-N 3.43Å; E251-T253 WeakPolarHBondContact OE1-CG2 3.46Å; E251-T253 PolarHBondContact OE1-OG1 2.95Å; E251-D254 VanDerWaalsContact O-CB 3.31Å; E251-D254 WeakPolarHBondContact O-CB 3.45Å; E251-D254 PolarHBondContact O-N 3.49Å
252	R	93.4	Very high	89.7	Confident	50 Å²	50	69 Å²	69	19%	0.189	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-60	-31.7	-179.4	-176.1	-176.7	-66.4	115.2	3.7	112.7	D254 I255 E321 P322 P323 Y325	R252-D254 PolarHBondContact O-N 3.32Å; R252-I255 PolarHBondContact O-N 3.17Å; R252-E321 IonicContact CZ-OE1 3.02Å; R252-E321 IonicContact NH1-OE1 3.93Å; R252-E321 PolarHBondContact NH1-OE1 3.47Å; R252-E321 PolarHBondContact NH2-O 3.42Å; R252-P322 PolarHBondContact NH1-O 3.1Å; R252-P322 VanDerWaalsContact NH2-C 3.3Å; R252-P322 PolarHBondContact NH2-O 3.24Å; R252-P323 PolarHBondContact NH2-O 3.33Å; R252-Y325 HydrophobicContact CG-CD2 4.29Å; R252-Y325 HydrophobicContact CG-CE2 3.69Å
253	T	94.6	Very high	89.1	Confident	84 Å²	84	70.2 Å²	70.2	52%	0.515	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-61.5	-24.9	-179.2	61.4	0	0	0	0	112.9	E251 I255 K275	E251-T253 HydrophobicContact CG-CG2 4.32Å; E251-T253 VanDerWaalsContact CG-OG1 3.3Å; E251-T253 WeakPolarHBondContact CG-OG1 3.14Å; E251-T253 PolarHBondContact O-N 3.43Å; E251-T253 WeakPolarHBondContact OE1-CG2 3.46Å; E251-T253 PolarHBondContact OE1-OG1 2.95Å; T253-I255 VanDerWaalsContact C-N 3.29Å; T253-K275 WeakPolarHBondContact O-CE 3.49Å; T253-K275 PolarHBondContact O-NZ 2.73Å
254	D	93.8	Very high	88.3	Confident	42 Å²	42	72.3 Å²	72.3	23%	0.225	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-74.1	-20.8	178.1	-121.7	7.2	0	0	0	112	E251 R252 W274 K275 K276	E251-D254 VanDerWaalsContact O-CB 3.31Å; E251-D254 WeakPolarHBondContact O-CB 3.45Å; E251-D254 PolarHBondContact O-N 3.49Å; R252-D254 PolarHBondContact O-N 3.32Å; D254-W274 PolarHBondContact OD2-NE1 2.71Å; D254-K275 WeakPolarHBondContact O-CB 3.44Å; D254-K275 VanDerWaalsContact O-CG 3.28Å; D254-K275 WeakPolarHBondContact O-CG 3.36Å; D254-K275 PolarHBondContact O-N 2.91Å; D254-K276 WeakPolarHBondContact OD2-CB 3.48Å
255	I	96	Very high	87.2	Confident	12 Å²	12	75.3 Å²	75.3	6%	0.062	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.5	-179.5	-58.2	-55	0	0	0	110.7	M250 R252 T253 M257 W274 V283 Y325	M250-I255 HydrophobicContact SD-CD1 3.78Å; M250-I255 HydrophobicContact SD-CG1 3.99Å; R252-I255 PolarHBondContact O-N 3.17Å; T253-I255 VanDerWaalsContact C-N 3.29Å; I255-M257 HydrophobicContact CG2-SD 3.89Å; I255-W274 HydrophobicContact CD1-CB 3.81Å; I255-W274 HydrophobicContact CD1-CD2 4.1Å; I255-W274 HydrophobicContact CD1-CG 3.75Å; I255-V283 HydrophobicContact CG2-CG2 4Å; I255-Y325 HydrophobicContact CG2-CE2 4.44Å
256	T	96.3	Very high	86.2	Confident	60 Å²	60	68 Å²	68	37%	0.368	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	105.1	169.9	-44.8	0	0	0	0	108.9	G272 V273 K275	T256-G272 CarbonylContact O-C 3.06Å; T256-G272 WeakPolarHBondContact O-CA 3.47Å; T256-V273 PolarHBondContact N-O 3.32Å; T256-V273 PolarHBondContact O-N 2.68Å; T256-V273 PolarHBondContact OG1-O 2.87Å; T256-K275 WeakPolarHBondContact OG1-CE 3.24Å; T256-K275 WeakPolarHBondContact OG1-CG 3.31Å
257	M	95.4	Very high	86	Confident	61 Å²	61	64 Å²	64	30%	0.3	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.2	173.2	-58.5	-62.7	-81.2	0	0	110.1	I255 Y270 V283 T285 Y325	I255-M257 HydrophobicContact CG2-SD 3.89Å; M257-Y270 HydrophobicContact CE-CD1 4.4Å; M257-Y270 HydrophobicContact CE-CD2 3.6Å; M257-Y270 HydrophobicContact CE-CE2 4.38Å; M257-Y270 HydrophobicContact CE-CG 3.62Å; M257-V283 HydrophobicContact CE-CB 4.1Å; M257-V283 HydrophobicContact CE-CG1 3.94Å; M257-V283 HydrophobicContact SD-CB 4.02Å; M257-V283 HydrophobicContact SD-CG1 3.86Å; M257-V283 HydrophobicContact SD-CG2 4.12Å; M257-T285 HydrophobicContact CE-CG2 3.63Å; M257-Y325 HydrophobicContact SD-CE2 3.97Å
258	K	95.6	Very high	86	Confident	96 Å²	96	59.7 Å²	59.7	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-135.3	174.8	-64.7	171.2	159.2	170.4	0	109.7	E271 V273	K258-E271 WeakPolarHBondContact CA-O 3.5Å; K258-E271 HydrophobicContact CB-CB 4.2Å; K258-E271 WeakPolarHBondContact CB-O 3.49Å; K258-E271 HydrophobicContact CD-CB 4.44Å; K258-E271 HydrophobicContact CD-CG 3.93Å; K258-E271 WeakPolarHBondContact CD-OE1 3.28Å; K258-E271 WeakPolarHBondContact CD-OE2 3.24Å; K258-E271 WeakPolarHBondContact CE-OE1 3.38Å; K258-E271 PolarHBondContact N-O 3Å; K258-E271 IonicContact NZ-OE1 3.85Å; K258-E271 PolarHBondContact NZ-OE1 3.32Å; K258-V273 HydrophobicContact CD-CG2 4.12Å
259	H	93	Very high	86	Confident	114 Å²	114	60.5 Å²	60.5	53%	0.528	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	159	-177.5	77.9	-80.5	0	0	0	112	Y270 E271	H259-Y270 WeakPolarHBondContact O-CA 3.19Å; H259-E271 IonicContact CE1-OE2 3.58Å; H259-E271 PolarHBondContact CE1-OE2 3.11Å; H259-E271 IonicContact ND1-OE2 2.76Å; H259-E271 PolarHBondContact ND1-OE2 2.59Å; H259-E271 PolarHBondContact O-N 2.98Å
260	K	93.2	Very high	86.1	Confident	94 Å²	94	60.3 Å²	60.3	41%	0.409	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124	178.4	-174.3	172.5	178.8	170.2	0	110.2	G262 E268 Y270	K260-G262 WeakPolarHBondContact CE-O 3.25Å; K260-G262 WeakPolarHBondContact CG-O 3.05Å; K260-E268 WeakPolarHBondContact CE-OE2 3.43Å; K260-E268 IonicContact NZ-OE1 3.49Å; K260-E268 PolarHBondContact NZ-OE1 3.05Å; K260-E268 IonicContact NZ-OE2 3.45Å; K260-E268 PolarHBondContact NZ-OE2 2.91Å; K260-Y270 HydrophobicContact CB-CD1 3.93Å; K260-Y270 HydrophobicContact CB-CE1 3.8Å; K260-Y270 HydrophobicContact CD-CE1 4.45Å; K260-Y270 HydrophobicContact CG-CD1 4.46Å; K260-Y270 HydrophobicContact CG-CE1 4.22Å
261	L	88.3	Confident	86.4	Confident	77 Å²	77	60.6 Å²	60.6	40%	0.403	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-36.4	175.1	-63.8	169.3	0	0	0	111.2	V269 E271 A282 F330	L261-V269 HydrophobicContact CB-CG1 4.43Å; L261-V269 HydrophobicContact CD1-CG1 4.36Å; L261-V269 PolarHBondContact N-O 2.89Å; L261-E271 HydrophobicContact CD1-CB 4.11Å; L261-E271 HydrophobicContact CD2-CB 4.17Å; L261-E271 HydrophobicContact CG-CB 4.09Å; L261-A282 HydrophobicContact CD1-CB 4.42Å; L261-F330 HydrophobicContact CD1-CD2 4.04Å; L261-F330 HydrophobicContact CD1-CE2 3.72Å; L261-F330 HydrophobicContact CD2-CE2 3.94Å; L261-F330 HydrophobicContact CG-CE2 4.49Å
262	G	81	Confident	86.6	Confident	28 Å²	28	54.2 Å²	54.2	29%	0.289	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	171.8	-177.5	0	0	0	0	0	114.1	K260 V269	K260-G262 WeakPolarHBondContact CE-O 3.25Å; K260-G262 WeakPolarHBondContact CG-O 3.05Å; G262-V269 PolarHBondContact N-O 3.47Å; G262-V269 VanDerWaalsContact N-O 3.09Å; G262-V269 PolarHBondContact O-N 3Å
263	G	70.8	Confident	86.7	Confident	55 Å²	55	52.8 Å²	52.8	57%	0.567	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	114.4	172.2	0	0	0	0	0	109.3
264	G	66.3	Low	86.6	Confident	46 Å²	46	49.2 Å²	49.2	47%	0.474	27%	0.272	S	S	.	.			trans	-102.5	-163.4	-178.6	0	0	0	0	0	112.1	G267	G264-G267 PolarHBondContact N-O 3.44Å
265	Q	60.4	Low	86.4	Confident	123 Å²	123	52.9 Å²	52.9	58%	0.575	29%	0.286	S	S	*	.	S	Bend	trans	-66.3	-51.2	165.2	-177.2	168.3	-35.7	0	0	109.7	G267	Q265-G267 PolarHBondContact O-N 3.45Å
266	Y	60.4	Low	85.9	Confident	27 Å²	27	57.1 Å²	57.1	11%	0.106	30%	0.304	C	S	.	.	S	Bend	trans	-78.4	35.4	-172.6	-45.1	-64.8	0	0	0	115.1	K284 L397	Y266-K284 WeakPolarHBondContact O-CE 3.33Å; Y266-L397 HydrophobicContact CE2-CD1 4.35Å; Y266-L397 HydrophobicContact CE2-CG 4.07Å; Y266-L397 VanDerWaalsContact OH-CD2 3.31Å; Y266-L397 WeakPolarHBondContact OH-CD2 3.5Å; Y266-L397 VanDerWaalsContact OH-CG 3.26Å; Y266-L397 WeakPolarHBondContact OH-CG 3.38Å
267	G	74.9	Confident	85.1	Confident	4 Å²	4	56.8 Å²	56.8	4%	0.041	30%	0.296	C	S	.	.			trans	102.2	-152.7	179.6	0	0	0	0	0	114.8	G264 Q265	G264-G267 PolarHBondContact N-O 3.44Å; Q265-G267 PolarHBondContact O-N 3.45Å
268	E	86.9	Confident	84.7	Confident	39 Å²	39	60.3 Å²	60.3	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.5	-170.6	-46.7	-141.5	131.9	0	0	111	K260 Y270 K284 T285 K287	K260-E268 WeakPolarHBondContact CE-OE2 3.43Å; K260-E268 IonicContact NZ-OE1 3.49Å; K260-E268 PolarHBondContact NZ-OE1 3.05Å; K260-E268 IonicContact NZ-OE2 3.45Å; K260-E268 PolarHBondContact NZ-OE2 2.91Å; E268-Y270 HydrophobicContact CB-CD2 4.47Å; E268-Y270 HydrophobicContact CB-CE2 3.7Å; E268-Y270 PolarHBondContact OE2-OH 3.38Å; E268-K284 CarbonylContact O-C 3.48Å; E268-K284 WeakPolarHBondContact O-CA 3.26Å; E268-T285 PolarHBondContact N-O 3.25Å; E268-T285 PolarHBondContact O-N 2.84Å; E268-T285 PolarHBondContact O-OG1 3.15Å; E268-K287 HydrophobicContact CG-CD 4.35Å; E268-K287 HydrophobicContact CG-CG 4.15Å; E268-K287 WeakPolarHBondContact OE1-CE 3.36Å; E268-K287 IonicContact OE1-NZ 2.75Å
269	V	91.3	Very high	84.4	Confident	45 Å²	45	59 Å²	59	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.8	-177.3	-174.9	0	0	0	0	109.6	L261 G262 A282 V283 K284	L261-V269 HydrophobicContact CB-CG1 4.43Å; L261-V269 HydrophobicContact CD1-CG1 4.36Å; L261-V269 PolarHBondContact N-O 2.89Å; G262-V269 PolarHBondContact N-O 3.47Å; G262-V269 VanDerWaalsContact N-O 3.09Å; G262-V269 PolarHBondContact O-N 3Å; V269-A282 HydrophobicContact CG1-CB 4.42Å; V269-V283 WeakPolarHBondContact CA-O 3.17Å; V269-K284 HydrophobicContact CG2-CB 4.35Å; V269-K284 HydrophobicContact CG2-CG 4.09Å
270	Y	94.1	Very high	84.5	Confident	56 Å²	56	55.9 Å²	55.9	22%	0.22	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.2	-179.1	-64.5	-97.1	0	0	0	111	M257 H259 K260 E268 A282 V283 T285	M257-Y270 HydrophobicContact CE-CD1 4.4Å; M257-Y270 HydrophobicContact CE-CD2 3.6Å; M257-Y270 HydrophobicContact CE-CE2 4.38Å; M257-Y270 HydrophobicContact CE-CG 3.62Å; H259-Y270 WeakPolarHBondContact O-CA 3.19Å; K260-Y270 HydrophobicContact CB-CD1 3.93Å; K260-Y270 HydrophobicContact CB-CE1 3.8Å; K260-Y270 HydrophobicContact CD-CE1 4.45Å; K260-Y270 HydrophobicContact CG-CD1 4.46Å; K260-Y270 HydrophobicContact CG-CE1 4.22Å; E268-Y270 HydrophobicContact CB-CD2 4.47Å; E268-Y270 HydrophobicContact CB-CE2 3.7Å; E268-Y270 PolarHBondContact OE2-OH 3.38Å; Y270-A282 WeakPolarHBondContact O-CA 3.48Å; Y270-V283 PolarHBondContact N-O 2.92Å; Y270-V283 PolarHBondContact O-N 2.93Å; Y270-T285 HydrophobicContact CD2-CG2 4Å; Y270-T285 HydrophobicContact CE2-CG2 4.22Å
271	E	96.4	Very high	84.6	Confident	26 Å²	26	51.4 Å²	51.4	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.3	158.3	-168.1	-156.4	162.2	0	0	107.6	K258 H259 L261 T280 F330	K258-E271 WeakPolarHBondContact CA-O 3.5Å; K258-E271 HydrophobicContact CB-CB 4.2Å; K258-E271 WeakPolarHBondContact CB-O 3.49Å; K258-E271 HydrophobicContact CD-CB 4.44Å; K258-E271 HydrophobicContact CD-CG 3.93Å; K258-E271 WeakPolarHBondContact CD-OE1 3.28Å; K258-E271 WeakPolarHBondContact CD-OE2 3.24Å; K258-E271 WeakPolarHBondContact CE-OE1 3.38Å; K258-E271 PolarHBondContact N-O 3Å; K258-E271 IonicContact NZ-OE1 3.85Å; K258-E271 PolarHBondContact NZ-OE1 3.32Å; H259-E271 IonicContact CE1-OE2 3.58Å; H259-E271 PolarHBondContact CE1-OE2 3.11Å; H259-E271 IonicContact ND1-OE2 2.76Å; H259-E271 PolarHBondContact ND1-OE2 2.59Å; H259-E271 PolarHBondContact O-N 2.98Å; L261-E271 HydrophobicContact CD1-CB 4.11Å; L261-E271 HydrophobicContact CD2-CB 4.17Å; L261-E271 HydrophobicContact CG-CB 4.09Å; E271-T280 HydrophobicContact CG-CG2 3.84Å; E271-F330 HydrophobicContact CG-CD2 4.37Å; E271-F330 HydrophobicContact CG-CE2 4.17Å
272	G	96.3	Very high	84.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	166.1	173.4	0	0	0	0	0	111.9	T256 T280 V281	T256-G272 CarbonylContact O-C 3.06Å; T256-G272 WeakPolarHBondContact O-CA 3.47Å; G272-T280 WeakPolarHBondContact O-CA 3.33Å; G272-V281 PolarHBondContact N-O 3.1Å; G272-V281 PolarHBondContact O-N 3.36Å
273	V	95.9	Very high	85.6	Confident	20 Å²	20	47 Å²	47	12%	0.121	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.8	166.7	171.2	0	0	0	0	109.6	T256 K258 K275 L279	T256-V273 PolarHBondContact N-O 3.32Å; T256-V273 PolarHBondContact O-N 2.68Å; T256-V273 PolarHBondContact OG1-O 2.87Å; K258-V273 HydrophobicContact CD-CG2 4.12Å; V273-K275 PolarHBondContact O-N 3.09Å; V273-L279 CarbonylContact C-O 3.49Å; V273-L279 WeakPolarHBondContact CA-O 3.45Å
274	W	93.4	Very high	86.6	Confident	8 Å²	8	45.5 Å²	45.5	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	104	169.7	-164.8	-14.8	0	0	0	108.8	V241 M250 D254 I255 K276 Y277 N278 L279 V281 L315	V241-W274 HydrophobicContact CG1-CH2 4.45Å; V241-W274 HydrophobicContact CG1-CZ3 4Å; V241-W274 HydrophobicContact CG2-CH2 3.65Å; V241-W274 HydrophobicContact CG2-CZ3 4.05Å; M250-W274 HydrophobicContact CB-CH2 4.2Å; M250-W274 HydrophobicContact CB-CZ2 3.9Å; M250-W274 HydrophobicContact CE-CE3 4.11Å; M250-W274 HydrophobicContact CE-CH2 3.28Å; M250-W274 HydrophobicContact CE-CZ2 3.96Å; M250-W274 HydrophobicContact CE-CZ3 3.38Å; M250-W274 HydrophobicContact CG-CZ2 4.47Å; M250-W274 HydrophobicContact SD-CD2 4.26Å; M250-W274 HydrophobicContact SD-CE3 4.22Å; M250-W274 HydrophobicContact SD-CH2 3.74Å; M250-W274 HydrophobicContact SD-CZ2 3.78Å; M250-W274 HydrophobicContact SD-CZ3 3.97Å; D254-W274 PolarHBondContact OD2-NE1 2.71Å; I255-W274 HydrophobicContact CD1-CB 3.81Å; I255-W274 HydrophobicContact CD1-CD2 4.1Å; I255-W274 HydrophobicContact CD1-CG 3.75Å; W274-K276 PolarHBondContact O-N 3.14Å; W274-Y277 AromaticContact CD2-CD2 3.66Å; W274-Y277 HydrophobicContact CD2-CD2 3.66Å; W274-Y277 AromaticContact CD2-CE2 3.58Å; W274-Y277 HydrophobicContact CD2-CE2 3.58Å; W274-Y277 AromaticContact CE2-CD2 3.98Å; W274-Y277 AromaticContact CE2-CE2 3.46Å; W274-Y277 VanDerWaalsContact CE2-CE2 3.46Å; W274-Y277 AromaticContact CE3-CD2 3.82Å; W274-Y277 HydrophobicContact CE3-CD2 3.82Å; W274-Y277 AromaticContact CE3-CE2 3.7Å; W274-Y277 HydrophobicContact CE3-CE2 3.7Å; W274-Y277 HydrophobicContact CG-CD2 4.03Å; W274-Y277 HydrophobicContact CG-CE2 4.33Å; W274-Y277 AromaticContact CH2-CE2 3.66Å; W274-Y277 HydrophobicContact CH2-CE2 3.66Å; W274-Y277 HydrophobicContact CZ2-CD2 4.43Å; W274-Y277 AromaticContact CZ2-CE2 3.51Å; W274-Y277 HydrophobicContact CZ2-CE2 3.51Å; W274-Y277 AromaticContact CZ2-CZ 3.92Å; W274-Y277 HydrophobicContact CZ3-CD2 4.28Å; W274-Y277 AromaticContact CZ3-CE2 3.74Å; W274-Y277 HydrophobicContact CZ3-CE2 3.74Å; W274-Y277 PolarHBondContact O-N 3.28Å; W274-N278 WeakPolarHBondContact O-CA 3.49Å; W274-N278 PolarHBondContact O-N 3.25Å; W274-L279 PolarHBondContact N-O 3.46Å; W274-L279 PolarHBondContact O-N 3.07Å; W274-V281 HydrophobicContact CB-CG1 4.45Å; W274-L315 HydrophobicContact CZ3-CB 4.25Å
275	K	89.3	Confident	87.7	Confident	120 Å²	120	44 Å²	44	52%	0.522	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-53.2	-49.1	-172.6	-67.3	167.9	-171.5	171.1	0	112.4	T253 D254 T256 V273 Y277 N278	T253-K275 WeakPolarHBondContact O-CE 3.49Å; T253-K275 PolarHBondContact O-NZ 2.73Å; D254-K275 WeakPolarHBondContact O-CB 3.44Å; D254-K275 VanDerWaalsContact O-CG 3.28Å; D254-K275 WeakPolarHBondContact O-CG 3.36Å; D254-K275 PolarHBondContact O-N 2.91Å; T256-K275 WeakPolarHBondContact OG1-CE 3.24Å; T256-K275 WeakPolarHBondContact OG1-CG 3.31Å; V273-K275 PolarHBondContact O-N 3.09Å; K275-Y277 PolarHBondContact O-N 3.49Å; K275-Y277 VanDerWaalsContact O-N 3.12Å; K275-N278 PolarHBondContact O-N 3.07Å; K275-N278 VanDerWaalsContact O-N 3.13Å
276	K	83.8	Confident	88.8	Confident	100 Å²	100	39 Å²	39	44%	0.435	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-55.2	-31.8	-176.2	-169.7	172	178.5	163.8	0	114	D90 D254 W274	D90-K276 VanDerWaalsContact OD1-CE 3.27Å; D90-K276 WeakPolarHBondContact OD1-CE 3.34Å; D90-K276 IonicContact OD1-NZ 3.39Å; D90-K276 PolarHBondContact OD1-NZ 3.15Å; D90-K276 IonicContact OD2-NZ 3.56Å; D90-K276 PolarHBondContact OD2-NZ 2.84Å; D254-K276 WeakPolarHBondContact OD2-CB 3.48Å; W274-K276 PolarHBondContact O-N 3.14Å
277	Y	80.1	Confident	89.5	Confident	53 Å²	53	41.3 Å²	41.3	21%	0.208	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-112.1	-0.1	-178.2	-44.7	-34	0	0	0	113.2	S88 V241 W274 K275 L279	S88-Y277 VanDerWaalsContact C-CE1 3.41Å; S88-Y277 WeakPolarHBondContact O-CE1 3.37Å; V241-Y277 HydrophobicContact CB-CE2 4.1Å; V241-Y277 HydrophobicContact CG1-CE2 4.17Å; V241-Y277 HydrophobicContact CG2-CE2 4.13Å; W274-Y277 AromaticContact CD2-CD2 3.66Å; W274-Y277 HydrophobicContact CD2-CD2 3.66Å; W274-Y277 AromaticContact CD2-CE2 3.58Å; W274-Y277 HydrophobicContact CD2-CE2 3.58Å; W274-Y277 AromaticContact CE2-CD2 3.98Å; W274-Y277 AromaticContact CE2-CE2 3.46Å; W274-Y277 VanDerWaalsContact CE2-CE2 3.46Å; W274-Y277 AromaticContact CE3-CD2 3.82Å; W274-Y277 HydrophobicContact CE3-CD2 3.82Å; W274-Y277 AromaticContact CE3-CE2 3.7Å; W274-Y277 HydrophobicContact CE3-CE2 3.7Å; W274-Y277 HydrophobicContact CG-CD2 4.03Å; W274-Y277 HydrophobicContact CG-CE2 4.33Å; W274-Y277 AromaticContact CH2-CE2 3.66Å; W274-Y277 HydrophobicContact CH2-CE2 3.66Å; W274-Y277 HydrophobicContact CZ2-CD2 4.43Å; W274-Y277 AromaticContact CZ2-CE2 3.51Å; W274-Y277 HydrophobicContact CZ2-CE2 3.51Å; W274-Y277 AromaticContact CZ2-CZ 3.92Å; W274-Y277 HydrophobicContact CZ3-CD2 4.28Å; W274-Y277 AromaticContact CZ3-CE2 3.74Å; W274-Y277 HydrophobicContact CZ3-CE2 3.74Å; W274-Y277 PolarHBondContact O-N 3.28Å; K275-Y277 PolarHBondContact O-N 3.49Å; K275-Y277 VanDerWaalsContact O-N 3.12Å; Y277-L279 PolarHBondContact O-N 2.86Å; Y277-L279 VanDerWaalsContact O-N 3.16Å
278	N	87	Confident	89.3	Confident	135 Å²	135	49 Å²	49	72%	0.722	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	33.9	-166.2	-166.8	46.2	0	0	0	113.5	W274 K275	W274-N278 WeakPolarHBondContact O-CA 3.49Å; W274-N278 PolarHBondContact O-N 3.25Å; K275-N278 PolarHBondContact O-N 3.07Å; K275-N278 VanDerWaalsContact O-N 3.13Å
279	L	89.3	Confident	88.4	Confident	68 Å²	68	55 Å²	55	36%	0.356	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.6	-171.3	179.4	63.6	0	0	0	110.8	V273 W274 Y277 V281 L315	V273-L279 CarbonylContact C-O 3.49Å; V273-L279 WeakPolarHBondContact CA-O 3.45Å; W274-L279 PolarHBondContact N-O 3.46Å; W274-L279 PolarHBondContact O-N 3.07Å; Y277-L279 PolarHBondContact O-N 2.86Å; Y277-L279 VanDerWaalsContact O-N 3.16Å; L279-V281 HydrophobicContact CD2-CG1 4.15Å; L279-V281 HydrophobicContact CG-CG1 4.03Å; L279-L315 HydrophobicContact CD2-CD1 3.94Å
280	T	94.8	Very high	87.1	Confident	49 Å²	49	54.8 Å²	54.8	30%	0.301	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.8	169.1	-52.8	0	0	0	0	109.8	E271 G272 F330	E271-T280 HydrophobicContact CG-CG2 3.84Å; G272-T280 WeakPolarHBondContact O-CA 3.33Å; T280-F330 HydrophobicContact CG2-CB 3.92Å; T280-F330 HydrophobicContact CG2-CD1 3.69Å; T280-F330 HydrophobicContact CG2-CD2 4.29Å; T280-F330 HydrophobicContact CG2-CE1 4.28Å; T280-F330 HydrophobicContact CG2-CG 3.69Å; T280-F330 WeakPolarHBondContact O-CB 3.24Å
281	V	95.8	Very high	85.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.2	-174.8	-65.5	0	0	0	0	110.6	G272 W274 L279 V283 L315 I327 T328	G272-V281 PolarHBondContact N-O 3.1Å; G272-V281 PolarHBondContact O-N 3.36Å; W274-V281 HydrophobicContact CB-CG1 4.45Å; L279-V281 HydrophobicContact CD2-CG1 4.15Å; L279-V281 HydrophobicContact CG-CG1 4.03Å; V281-V283 HydrophobicContact CG2-CG2 3.94Å; V281-L315 HydrophobicContact CG1-CD1 3.72Å; V281-I327 HydrophobicContact CB-CG2 3.75Å; V281-I327 HydrophobicContact CG1-CG2 3.99Å; V281-I327 HydrophobicContact CG2-CG2 3.88Å; V281-T328 WeakPolarHBondContact CA-O 3.39Å; V281-T328 WeakPolarHBondContact CB-O 3.19Å
282	A	95.6	Very high	84	Confident	13 Å²	13	63 Å²	63	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.1	165.6	0	0	0	0	0	109.4	L261 V269 Y270 I327 T328	L261-A282 HydrophobicContact CD1-CB 4.42Å; V269-A282 HydrophobicContact CG1-CB 4.42Å; Y270-A282 WeakPolarHBondContact O-CA 3.48Å; A282-I327 WeakPolarHBondContact O-CA 3.27Å; A282-T328 PolarHBondContact N-O 3.1Å; A282-T328 PolarHBondContact O-N 3.13Å
283	V	94.6	Very high	83.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	110	-175.1	-172.6	0	0	0	0	109.4	I255 M257 V269 Y270 V281 T285 Y325 I326 I327	I255-V283 HydrophobicContact CG2-CG2 4Å; M257-V283 HydrophobicContact CE-CB 4.1Å; M257-V283 HydrophobicContact CE-CG1 3.94Å; M257-V283 HydrophobicContact SD-CB 4.02Å; M257-V283 HydrophobicContact SD-CG1 3.86Å; M257-V283 HydrophobicContact SD-CG2 4.12Å; V269-V283 WeakPolarHBondContact CA-O 3.17Å; Y270-V283 PolarHBondContact N-O 2.92Å; Y270-V283 PolarHBondContact O-N 2.93Å; V281-V283 HydrophobicContact CG2-CG2 3.94Å; V283-T285 HydrophobicContact CG1-CG2 4.11Å; V283-Y325 HydrophobicContact CG1-CD1 4.21Å; V283-Y325 HydrophobicContact CG1-CD2 3.75Å; V283-Y325 HydrophobicContact CG1-CE2 4.23Å; V283-Y325 HydrophobicContact CG1-CG 3.74Å; V283-I326 WeakPolarHBondContact CA-O 3.01Å; V283-I327 HydrophobicContact CG1-CG1 4.43Å; V283-I327 HydrophobicContact CG2-CG1 4.39Å
284	K	91.8	Very high	82.6	Confident	23 Å²	23	71.1 Å²	71.1	10%	0.1	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125	171.6	-164.4	-178.5	-157.7	177.5	0	108.4	Y266 E268 V269 F296 E299 Y325 I326 D394	Y266-K284 WeakPolarHBondContact O-CE 3.33Å; E268-K284 CarbonylContact O-C 3.48Å; E268-K284 WeakPolarHBondContact O-CA 3.26Å; V269-K284 HydrophobicContact CG2-CB 4.35Å; V269-K284 HydrophobicContact CG2-CG 4.09Å; K284-F296 HydrophobicContact CD-CE2 4.48Å; K284-F296 HydrophobicContact CG-CE2 4.23Å; K284-E299 IonicContact NZ-OE1 3.78Å; K284-E299 PolarHBondContact NZ-OE1 3.2Å; K284-E299 IonicContact NZ-OE2 2.7Å; K284-E299 PolarHBondContact NZ-OE2 2.91Å; K284-Y325 WeakPolarHBondContact O-CA 3.27Å; K284-I326 HydrophobicContact CB-CB 4.29Å; K284-I326 PolarHBondContact N-O 2.61Å; K284-I326 PolarHBondContact O-N 3.07Å; K284-D394 IonicContact NZ-OD1 2.65Å; K284-D394 PolarHBondContact NZ-OD1 3.42Å
285	T	90.1	Very high	82	Confident	16 Å²	16	73 Å²	73	10%	0.098	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.3	-178.1	66.6	0	0	0	0	110.8	M257 E268 Y270 V283 Y325	M257-T285 HydrophobicContact CE-CG2 3.63Å; E268-T285 PolarHBondContact N-O 3.25Å; E268-T285 PolarHBondContact O-N 2.84Å; E268-T285 PolarHBondContact O-OG1 3.15Å; Y270-T285 HydrophobicContact CD2-CG2 4Å; Y270-T285 HydrophobicContact CE2-CG2 4.22Å; V283-T285 HydrophobicContact CG1-CG2 4.11Å; T285-Y325 HydrophobicContact CG2-CD1 3.65Å; T285-Y325 HydrophobicContact CG2-CE1 3.55Å
286	L	83.1	Confident	81.6	Confident	17 Å²	17	67.6 Å²	67.6	9%	0.089	34%	0.339	C	S	.	.			trans	-69.2	142.6	171.3	-172.8	61.4	0	0	0	110.9	T290 V293 F296 F324	L286-T290 WeakPolarHBondContact CD1-OG1 3.37Å; L286-V293 HydrophobicContact CD2-CB 4.19Å; L286-V293 HydrophobicContact CD2-CG2 3.65Å; L286-F296 HydrophobicContact CB-CD1 4.4Å; L286-F296 HydrophobicContact CB-CD2 3.91Å; L286-F296 HydrophobicContact CB-CE1 4.47Å; L286-F296 HydrophobicContact CB-CE2 3.97Å; L286-F296 HydrophobicContact CB-CG 4.12Å; L286-F296 HydrophobicContact CB-CZ 4.25Å; L286-F296 HydrophobicContact CD1-CB 4.08Å; L286-F296 HydrophobicContact CD1-CD2 4.05Å; L286-F296 HydrophobicContact CD1-CG 4.22Å; L286-F296 HydrophobicContact CD2-CB 4.29Å; L286-F296 HydrophobicContact CD2-CG 4.38Å; L286-F296 HydrophobicContact CG-CD2 4.48Å; L286-F296 HydrophobicContact CG-CG 4.48Å; L286-F324 HydrophobicContact CD2-CD2 4.03Å; L286-F324 PolarHBondContact N-O 2.89Å
287	K	75.1	Confident	81.7	Confident	75 Å²	75	66.1 Å²	66.1	33%	0.326	34%	0.335	S	S	.	.			trans	-84	132.3	175.3	-70.3	173.1	-179.3	164.6	0	110.3	E268 D289 T290	E268-K287 HydrophobicContact CG-CD 4.35Å; E268-K287 HydrophobicContact CG-CG 4.15Å; E268-K287 WeakPolarHBondContact OE1-CE 3.36Å; E268-K287 IonicContact OE1-NZ 2.75Å; K287-D289 VanDerWaalsContact C-N 3.26Å; K287-D289 PolarHBondContact O-N 2.93Å; K287-T290 HydrophobicContact CB-CG2 3.83Å; K287-T290 PolarHBondContact O-N 3.36Å; K287-T290 VanDerWaalsContact O-N 3.11Å; K287-T290 PolarHBondContact O-OG1 3.11Å
288	E	71.3	Confident	81.8	Confident	165 Å²	165	68.5 Å²	68.5	77%	0.771	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32	-171.6	-59.9	-178.5	151.6	0	0	113.3	T290	E288-T290 VanDerWaalsContact C-N 3.33Å; E288-T290 PolarHBondContact O-N 3.31Å
289	D	66.8	Low	81.7	Confident	167 Å²	167	62.6 Å²	62.6	89%	0.893	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	12	178.9	-59.7	-53.9	0	0	0	115.1	K287	K287-D289 VanDerWaalsContact C-N 3.26Å; K287-D289 PolarHBondContact O-N 2.93Å
290	T	64.2	Low	81.6	Confident	40 Å²	40	59.7 Å²	59.7	25%	0.245	30%	0.3	C	S	.	.			trans	-105.9	132.7	-175.4	59	0	0	0	0	113.6	L286 K287 E288 E292	L286-T290 WeakPolarHBondContact CD1-OG1 3.37Å; K287-T290 HydrophobicContact CB-CG2 3.83Å; K287-T290 PolarHBondContact O-N 3.36Å; K287-T290 VanDerWaalsContact O-N 3.11Å; K287-T290 PolarHBondContact O-OG1 3.11Å; E288-T290 VanDerWaalsContact C-N 3.33Å; E288-T290 PolarHBondContact O-N 3.31Å; T290-E292 PolarHBondContact O-N 3.3Å
291	M	54.4	Low	81.2	Confident	193 Å²	193	60 Å²	60	95%	0.951	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	11.9	174.1	-63.3	-177.5	67.8	0	0	113.4
292	E	71.6	Confident	80.7	Confident	61 Å²	61	61.1 Å²	61.1	29%	0.285	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	12.4	-166.1	-60.4	-179.2	168.4	0	0	113	T290 E294 E295 F296	T290-E292 PolarHBondContact O-N 3.3Å; E292-E294 PolarHBondContact O-N 3.42Å; E292-E295 PolarHBondContact O-N 2.9Å; E292-F296 PolarHBondContact O-N 3.28Å
293	V	81.1	Confident	80.3	Confident	57 Å²	57	60.9 Å²	60.9	35%	0.345	31%	0.311	S	S	.	.	H	α-helix	trans	-48.3	-45	178.1	175.2	0	0	0	0	112.3	L286 E295 F296 L297 F324	L286-V293 HydrophobicContact CD2-CB 4.19Å; L286-V293 HydrophobicContact CD2-CG2 3.65Å; V293-E295 VanDerWaalsContact C-N 3.33Å; V293-E295 PolarHBondContact O-N 3.19Å; V293-F296 PolarHBondContact O-N 3.37Å; V293-L297 HydrophobicContact CG1-CD1 3.93Å; V293-L297 HydrophobicContact CG1-CG 4.44Å; V293-L297 WeakPolarHBondContact O-CB 3.43Å; V293-L297 WeakPolarHBondContact O-CG 3.32Å; V293-L297 PolarHBondContact O-N 3.21Å; V293-F324 HydrophobicContact CG1-CD2 4.35Å; V293-F324 HydrophobicContact CG1-CE2 3.81Å
294	E	81.9	Confident	80	Confident	133 Å²	133	63.6 Å²	63.6	62%	0.621	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-35.6	177.9	-84.1	-165	-144.5	0	0	113.3	E292 K298	E292-E294 PolarHBondContact O-N 3.42Å; E294-K298 WeakPolarHBondContact O-CB 3.4Å; E294-K298 WeakPolarHBondContact O-CD 3.4Å; E294-K298 WeakPolarHBondContact O-CE 3.44Å; E294-K298 WeakPolarHBondContact O-CG 3.49Å; E294-K298 PolarHBondContact O-N 2.99Å; E294-K298 IonicContact OE2-NZ 2.63Å; E294-K298 PolarHBondContact OE2-NZ 2.88Å
295	E	79.6	Confident	79.6	Confident	48 Å²	48	68.3 Å²	68.3	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-74.7	-39.8	-179.5	-172	154.9	-156.9	0	0	110.6	E292 V293 K298 E299 R399	E292-E295 PolarHBondContact O-N 2.9Å; V293-E295 VanDerWaalsContact C-N 3.33Å; V293-E295 PolarHBondContact O-N 3.19Å; E295-K298 PolarHBondContact O-N 3.08Å; E295-E299 PolarHBondContact O-N 2.92Å; E295-R399 IonicContact OE1-CZ 2.73Å; E295-R399 IonicContact OE1-NH1 2.75Å; E295-R399 IonicContact OE1-NH2 2.63Å; E295-R399 PolarHBondContact OE1-NH2 2.8Å
296	F	82.4	Confident	79.5	Confident	7 Å²	7	67.7 Å²	67.7	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-43.7	171.9	-169.9	-89.9	0	0	0	112.5	K284 L286 E292 V293 E299 A300 F324 I326	K284-F296 HydrophobicContact CD-CE2 4.48Å; K284-F296 HydrophobicContact CG-CE2 4.23Å; L286-F296 HydrophobicContact CB-CD1 4.4Å; L286-F296 HydrophobicContact CB-CD2 3.91Å; L286-F296 HydrophobicContact CB-CE1 4.47Å; L286-F296 HydrophobicContact CB-CE2 3.97Å; L286-F296 HydrophobicContact CB-CG 4.12Å; L286-F296 HydrophobicContact CB-CZ 4.25Å; L286-F296 HydrophobicContact CD1-CB 4.08Å; L286-F296 HydrophobicContact CD1-CD2 4.05Å; L286-F296 HydrophobicContact CD1-CG 4.22Å; L286-F296 HydrophobicContact CD2-CB 4.29Å; L286-F296 HydrophobicContact CD2-CG 4.38Å; L286-F296 HydrophobicContact CG-CD2 4.48Å; L286-F296 HydrophobicContact CG-CG 4.48Å; E292-F296 PolarHBondContact O-N 3.28Å; V293-F296 PolarHBondContact O-N 3.37Å; F296-E299 PolarHBondContact O-N 2.84Å; F296-A300 PolarHBondContact O-N 2.94Å; F296-F324 HydrophobicContact CD1-CB 4.06Å; F296-F324 HydrophobicContact CE1-CB 3.59Å; F296-F324 HydrophobicContact CZ-CB 4.35Å; F296-F324 VanDerWaalsContact CZ-O 3.31Å; F296-F324 WeakPolarHBondContact CZ-O 3.4Å; F296-I326 HydrophobicContact CD1-CD1 4.19Å; F296-I326 HydrophobicContact CD1-CG1 4.47Å; F296-I326 HydrophobicContact CD2-CD1 4.27Å; F296-I326 HydrophobicContact CE1-CD1 3.89Å; F296-I326 HydrophobicContact CE1-CG1 3.75Å; F296-I326 HydrophobicContact CE2-CD1 3.99Å; F296-I326 HydrophobicContact CE2-CG1 4.36Å; F296-I326 HydrophobicContact CG-CD1 4.37Å; F296-I326 HydrophobicContact CZ-CB 4.32Å; F296-I326 HydrophobicContact CZ-CD1 3.8Å; F296-I326 HydrophobicContact CZ-CG1 3.7Å
297	L	85.1	Confident	79.9	Confident	69 Å²	69	69.1 Å²	69.1	36%	0.361	35%	0.347	S	S	.	.	H	α-helix	trans	-70.6	-30.7	175.9	-67.6	175.5	0	0	0	112.7	V293 A301 T319	V293-L297 HydrophobicContact CG1-CD1 3.93Å; V293-L297 HydrophobicContact CG1-CG 4.44Å; V293-L297 WeakPolarHBondContact O-CB 3.43Å; V293-L297 WeakPolarHBondContact O-CG 3.32Å; V293-L297 PolarHBondContact O-N 3.21Å; L297-A301 WeakPolarHBondContact O-CB 3.36Å; L297-A301 PolarHBondContact O-N 2.75Å; L297-T319 HydrophobicContact CD2-CG2 3.66Å
298	K	82.9	Confident	80.7	Confident	103 Å²	103	66.7 Å²	66.7	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-68.8	-40.6	172.2	-74.1	159.9	-161	168.1	0	111.5	E294 E295 A301 V302	E294-K298 WeakPolarHBondContact O-CB 3.4Å; E294-K298 WeakPolarHBondContact O-CD 3.4Å; E294-K298 WeakPolarHBondContact O-CE 3.44Å; E294-K298 WeakPolarHBondContact O-CG 3.49Å; E294-K298 PolarHBondContact O-N 2.99Å; E294-K298 IonicContact OE2-NZ 2.63Å; E294-K298 PolarHBondContact OE2-NZ 2.88Å; E295-K298 PolarHBondContact O-N 3.08Å; K298-A301 PolarHBondContact O-N 3.43Å; K298-V302 WeakPolarHBondContact O-CG2 3.46Å; K298-V302 PolarHBondContact O-N 3.35Å
299	E	84.6	Confident	81.8	Confident	11 Å²	11	61.2 Å²	61.2	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-58.5	-50.6	172.2	-176.1	179.1	174.1	0	0	110.9	K284 E295 F296 A301 V302 M303 I326 F395 G396	K284-E299 IonicContact NZ-OE1 3.78Å; K284-E299 PolarHBondContact NZ-OE1 3.2Å; K284-E299 IonicContact NZ-OE2 2.7Å; K284-E299 PolarHBondContact NZ-OE2 2.91Å; E295-E299 PolarHBondContact O-N 2.92Å; F296-E299 PolarHBondContact O-N 2.84Å; E299-A301 VanDerWaalsContact C-N 3.3Å; E299-A301 PolarHBondContact O-N 3.46Å; E299-V302 PolarHBondContact O-N 3.45Å; E299-M303 HydrophobicContact CG-SD 4.44Å; E299-M303 WeakPolarHBondContact O-CG 3.31Å; E299-M303 PolarHBondContact O-N 3.04Å; E299-I326 HydrophobicContact CB-CD1 4.39Å; E299-I326 HydrophobicContact CG-CD1 4.29Å; E299-F395 HydrophobicContact CG-CB 4.35Å; E299-G396 WeakPolarHBondContact OE2-CA 3.17Å
300	A	86	Confident	83.2	Confident	7 Å²	7	53.9 Å²	53.9	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-41.8	176.3	0	0	0	0	0	112.9	F296 M303 K304 V317 I326	F296-A300 PolarHBondContact O-N 2.94Å; A300-M303 PolarHBondContact O-N 3.2Å; A300-K304 PolarHBondContact O-N 3.43Å; A300-V317 HydrophobicContact CB-CG1 4.18Å; A300-I326 HydrophobicContact CB-CD1 3.92Å; A300-I326 HydrophobicContact CB-CG1 3.97Å
301	A	86.5	Confident	84.7	Confident	56 Å²	56	52 Å²	52	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-41.2	177.1	0	0	0	0	0	112.7	L297 K298 E299 M303 K304	L297-A301 WeakPolarHBondContact O-CB 3.36Å; L297-A301 PolarHBondContact O-N 2.75Å; K298-A301 PolarHBondContact O-N 3.43Å; E299-A301 VanDerWaalsContact C-N 3.3Å; E299-A301 PolarHBondContact O-N 3.46Å; A301-M303 VanDerWaalsContact C-N 3.33Å; A301-M303 PolarHBondContact O-N 2.79Å; A301-K304 PolarHBondContact O-N 3.38Å
302	V	85.4	Confident	86.6	Confident	23 Å²	23	43.2 Å²	43.2	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-41.2	174.9	167.8	0	0	0	0	111.1	K298 E299 K304 E305 I306 F372	K298-V302 WeakPolarHBondContact O-CG2 3.46Å; K298-V302 PolarHBondContact O-N 3.35Å; E299-V302 PolarHBondContact O-N 3.45Å; V302-K304 VanDerWaalsContact C-N 3.26Å; V302-K304 PolarHBondContact O-N 2.82Å; V302-E305 PolarHBondContact O-N 2.8Å; V302-E305 VanDerWaalsContact O-N 3.16Å; V302-I306 HydrophobicContact CG1-CD1 3.65Å; V302-I306 HydrophobicContact CG1-CG1 4.41Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 2.94Å; V302-F372 HydrophobicContact CB-CE1 4.3Å; V302-F372 HydrophobicContact CG1-CD1 4.16Å; V302-F372 HydrophobicContact CG1-CE1 3.64Å; V302-F372 HydrophobicContact CG1-CZ 4.07Å; V302-F372 HydrophobicContact CG2-CE1 3.75Å; V302-F372 HydrophobicContact CG2-CZ 4.26Å
303	M	87.7	Confident	87.5	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.034	21%	0.209	C	C	.	.	H	α-helix	trans	-69.6	-15	179.2	-68.5	-166.3	78.6	0	0	114.8	E299 A300 A301 V312 L314 I326 T328 F395	E299-M303 HydrophobicContact CG-SD 4.44Å; E299-M303 WeakPolarHBondContact O-CG 3.31Å; E299-M303 PolarHBondContact O-N 3.04Å; A300-M303 PolarHBondContact O-N 3.2Å; A301-M303 VanDerWaalsContact C-N 3.33Å; A301-M303 PolarHBondContact O-N 2.79Å; M303-V312 HydrophobicContact CE-CG1 4.45Å; M303-V312 VanDerWaalsContact CE-O 3.23Å; M303-V312 WeakPolarHBondContact CE-O 3.34Å; M303-L314 HydrophobicContact CB-CB 4.12Å; M303-L314 HydrophobicContact CB-CD1 4.39Å; M303-L314 HydrophobicContact CB-CD2 4.26Å; M303-I326 HydrophobicContact SD-CG2 4.16Å; M303-T328 HydrophobicContact CE-CG2 3.76Å; M303-T328 HydrophobicContact SD-CG2 4.48Å; M303-F395 HydrophobicContact CE-CD2 3.93Å; M303-F395 HydrophobicContact CE-CE2 4.02Å; M303-F395 HydrophobicContact CG-CB 4.44Å; M303-F395 HydrophobicContact CG-CD2 3.78Å; M303-F395 HydrophobicContact CG-CG 4.41Å; M303-F395 HydrophobicContact SD-CD2 4Å
304	K	87.8	Confident	88.1	Confident	58 Å²	58	37.7 Å²	37.7	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-72.1	-35.6	168.8	-71.6	-172.5	173.9	-164.9	0	112.8	D246 W248 A300 A301 V302 L314	D246-K304 IonicContact OD1-NZ 2.63Å; D246-K304 PolarHBondContact OD1-NZ 3.21Å; D246-K304 IonicContact OD2-NZ 2.87Å; D246-K304 PolarHBondContact OD2-NZ 3.34Å; W248-K304 HydrophobicContact CD2-CG 4.25Å; W248-K304 HydrophobicContact CG-CD 4.3Å; W248-K304 HydrophobicContact CG-CG 4.28Å; W248-K304 HydrophobicContact CZ2-CB 4.38Å; W248-K304 HydrophobicContact CZ2-CG 4.4Å; A300-K304 PolarHBondContact O-N 3.43Å; A301-K304 PolarHBondContact O-N 3.38Å; V302-K304 VanDerWaalsContact C-N 3.26Å; V302-K304 PolarHBondContact O-N 2.82Å; K304-L314 HydrophobicContact CG-CD2 3.79Å
305	E	85	Confident	88.5	Confident	121 Å²	121	32.2 Å²	32.2	57%	0.565	17%	0.167	S	C	*	.	H	α-helix	trans	-87.9	-14.8	-173.8	-65.8	-58	139.6	0	0	113.7	V302 K370	V302-E305 PolarHBondContact O-N 2.8Å; V302-E305 VanDerWaalsContact O-N 3.16Å; E305-K370 PolarHBondContact O-NZ 2.85Å
306	I	87.1	Confident	89.1	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.015	16%	0.156	C	C	.	.			trans	-86.9	122.2	175.8	-70.3	173.8	0	0	0	109.4	V302 L311 Q313 Y366 L367 F395	V302-I306 HydrophobicContact CG1-CD1 3.65Å; V302-I306 HydrophobicContact CG1-CG1 4.41Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 2.94Å; I306-L311 HydrophobicContact CG2-CB 3.68Å; I306-L311 HydrophobicContact CG2-CD1 3.48Å; I306-L311 VanDerWaalsContact CG2-CD1 3.48Å; I306-L311 HydrophobicContact CG2-CG 4.15Å; I306-Q313 PolarHBondContact O-OE1 2.81Å; I306-Y366 HydrophobicContact CG2-CE1 4.42Å; I306-L367 HydrophobicContact CD1-CD2 3.98Å; I306-L367 HydrophobicContact CG1-CD2 4.32Å; I306-F395 HydrophobicContact CD1-CD1 3.83Å; I306-F395 HydrophobicContact CD1-CE1 3.82Å; I306-F395 HydrophobicContact CD1-CG 4.28Å; I306-F395 HydrophobicContact CD1-CZ 4.23Å
307	K	90.7	Very high	89.7	Confident	47 Å²	47	30 Å²	30	20%	0.204	16%	0.157	C	C	.	.			trans	-142.8	97.3	175.9	-67.6	-168.7	176.5	-159.6	0	109.9	E111 Y239 Y366	E111-K307 WeakPolarHBondContact OE1-CD 3.31Å; E111-K307 IonicContact OE1-NZ 3.53Å; E111-K307 PolarHBondContact OE1-NZ 3.11Å; E111-K307 IonicContact OE2-NZ 2.7Å; E111-K307 PolarHBondContact OE2-NZ 2.67Å; Y239-K307 HydrophobicContact CD1-CB 3.95Å; Y239-K307 HydrophobicContact CD1-CG 4.16Å; Y239-K307 HydrophobicContact CD2-CB 3.94Å; Y239-K307 HydrophobicContact CD2-CD 3.78Å; Y239-K307 HydrophobicContact CD2-CG 4.19Å; Y239-K307 HydrophobicContact CE1-CB 4.01Å; Y239-K307 HydrophobicContact CE2-CB 4.01Å; Y239-K307 HydrophobicContact CG-CB 3.9Å; Y239-K307 HydrophobicContact CG-CD 3.77Å; Y239-K307 HydrophobicContact CG-CG 3.87Å; K307-Y366 PolarHBondContact N-OH 3.14Å; K307-Y366 WeakPolarHBondContact O-CE2 3.39Å; K307-Y366 PolarHBondContact O-OH 3.36Å; K307-Y366 VanDerWaalsContact O-OH 3.07Å
308	H	93.4	Very high	90.1	Very high	24 Å²	24	27 Å²	27	11%	0.111	14%	0.142	C	C	.	.			trans	-150.9	143	179.1	-165.4	-104.8	0	0	0	109.8	Y239 N310 L311 S362 Y366	Y239-H308 WeakPolarHBondContact OH-CA 3.32Å; H308-N310 PolarHBondContact ND1-N 3.29Å; H308-N310 PolarHBondContact O-N 3Å; H308-L311 HydrophobicContact CB-CB 4.06Å; H308-L311 HydrophobicContact CB-CD1 3.66Å; H308-L311 HydrophobicContact CB-CG 3.88Å; H308-L311 PolarHBondContact O-N 2.83Å; H308-S362 PolarHBondContact CE1-OG 2.79Å; H308-Y366 HydrophobicContact CB-CD1 4.14Å; H308-Y366 HydrophobicContact CB-CD2 4.05Å; H308-Y366 HydrophobicContact CB-CE1 4.41Å; H308-Y366 HydrophobicContact CB-CE2 4.3Å; H308-Y366 HydrophobicContact CB-CG 3.94Å; H308-Y366 AromaticContact CD2-CD2 3.47Å; H308-Y366 VanDerWaalsContact CD2-CD2 3.47Å; H308-Y366 WeakPolarHBondContact CD2-CD2 3.3Å; H308-Y366 AromaticContact CD2-CG 3.72Å; H308-Y366 AromaticContact CG-CG 3.9Å
309	P	93	Very high	90.6	Very high	50 Å²	50	24.4 Å²	24.4	33%	0.325	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30	178.6	23.2	-35.4	0	0	0	113.4	Y239 K391	Y239-P309 WeakPolarHBondContact OH-CD 3.4Å; P309-K391 WeakPolarHBondContact O-CE 3.21Å; P309-K391 PolarHBondContact O-NZ 3.23Å
310	N	96.4	Very high	90.8	Very high	14 Å²	14	33.5 Å²	33.5	8%	0.075	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	20.1	-178	-57.4	103.7	0	0	0	114.4	H308 Q359 A363 V390 K391 V392	H308-N310 PolarHBondContact ND1-N 3.29Å; H308-N310 PolarHBondContact O-N 3Å; N310-Q359 VanDerWaalsContact CB-O 3.31Å; N310-Q359 WeakPolarHBondContact CB-O 3.48Å; N310-Q359 WeakPolarHBondContact ND2-CB 3.48Å; N310-Q359 WeakPolarHBondContact ND2-CG 3.37Å; N310-Q359 PolarHBondContact ND2-OE1 3.25Å; N310-A363 HydrophobicContact CB-CB 3.83Å; N310-A363 WeakPolarHBondContact O-CB 3.18Å; N310-V390 WeakPolarHBondContact CB-O 3.12Å; N310-V390 PolarHBondContact ND2-O 2.81Å; N310-K391 CarbonylContact O-C 3.49Å; N310-K391 VanDerWaalsContact O-CA 3.31Å; N310-K391 WeakPolarHBondContact O-CA 3.4Å; N310-V392 PolarHBondContact O-N 2.74Å
311	L	95.5	Very high	91	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-119.3	140.3	167.9	-65.7	170	0	0	0	108.4	I306 H308 Q313 A363 Y366 L367 V392 F395	I306-L311 HydrophobicContact CG2-CB 3.68Å; I306-L311 HydrophobicContact CG2-CD1 3.48Å; I306-L311 VanDerWaalsContact CG2-CD1 3.48Å; I306-L311 HydrophobicContact CG2-CG 4.15Å; H308-L311 HydrophobicContact CB-CB 4.06Å; H308-L311 HydrophobicContact CB-CD1 3.66Å; H308-L311 HydrophobicContact CB-CG 3.88Å; H308-L311 PolarHBondContact O-N 2.83Å; L311-Q313 PolarHBondContact O-N 3.02Å; L311-A363 HydrophobicContact CD2-CB 3.82Å; L311-A363 HydrophobicContact CG-CB 4.06Å; L311-Y366 HydrophobicContact CD1-CD1 3.47Å; L311-Y366 VanDerWaalsContact CD1-CD1 3.47Å; L311-Y366 HydrophobicContact CD1-CE1 4.01Å; L311-Y366 HydrophobicContact CD1-CG 4.24Å; L311-L367 HydrophobicContact CD1-CD2 3.89Å; L311-L367 HydrophobicContact CD1-CG 4.04Å; L311-L367 HydrophobicContact CD2-CD1 4.08Å; L311-L367 HydrophobicContact CD2-CG 4.32Å; L311-V392 HydrophobicContact CD2-CB 3.94Å; L311-F395 HydrophobicContact CB-CZ 4.2Å; L311-F395 HydrophobicContact CD2-CE1 4.01Å; L311-F395 HydrophobicContact CD2-CZ 3.83Å
312	V	94.2	Very high	91	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-64.4	121	-177.4	170.2	0	0	0	0	110.3	M303 T328 E329 L383 K391 V392 A393	M303-V312 HydrophobicContact CE-CG1 4.45Å; M303-V312 VanDerWaalsContact CE-O 3.23Å; M303-V312 WeakPolarHBondContact CE-O 3.34Å; V312-T328 HydrophobicContact CG1-CG2 4.11Å; V312-E329 HydrophobicContact CG1-CG 4.37Å; V312-L383 HydrophobicContact CG2-CD1 4.07Å; V312-K391 HydrophobicContact CG2-CB 3.67Å; V312-V392 PolarHBondContact N-O 3.06Å; V312-A393 HydrophobicContact CB-CB 4.34Å; V312-A393 HydrophobicContact CG2-CB 3.68Å
313	Q	91.7	Very high	91.2	Very high	2 Å²	2	41 Å²	41	1%	0.009	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-83.7	130.3	-171.2	-173.8	49.9	53.6	0	0	112.2	Y239 I306 L311 T328 E329	Y239-Q313 HydrophobicContact CD1-CG 4.31Å; Y239-Q313 VanDerWaalsContact CD1-OE1 3.23Å; I306-Q313 PolarHBondContact O-OE1 2.81Å; L311-Q313 PolarHBondContact O-N 3.02Å; Q313-T328 WeakPolarHBondContact O-CA 3.44Å; Q313-T328 WeakPolarHBondContact O-CB 3.32Å; Q313-E329 WeakPolarHBondContact CB-OE1 3.35Å; Q313-E329 PolarHBondContact N-OE1 3.46Å; Q313-E329 PolarHBondContact O-N 3.07Å
314	L	92.6	Very high	91.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.6	164.7	-171.2	67.1	0	0	0	109.8	W248 M303 K304 G316 V317 I326	W248-L314 HydrophobicContact CD2-CD2 4.12Å; W248-L314 HydrophobicContact CE3-CD2 3.78Å; W248-L314 HydrophobicContact CE3-CG 4.01Å; W248-L314 HydrophobicContact CZ3-CB 4.14Å; W248-L314 HydrophobicContact CZ3-CD2 4.06Å; W248-L314 HydrophobicContact CZ3-CG 4.1Å; W248-L314 WeakPolarHBondContact CZ3-O 3.44Å; M303-L314 HydrophobicContact CB-CB 4.12Å; M303-L314 HydrophobicContact CB-CD1 4.39Å; M303-L314 HydrophobicContact CB-CD2 4.26Å; K304-L314 HydrophobicContact CG-CD2 3.79Å; L314-G316 WeakPolarHBondContact CD1-O 3.42Å; L314-V317 HydrophobicContact CD1-CG1 4.05Å; L314-V317 HydrophobicContact CD2-CG1 4.47Å; L314-I326 HydrophobicContact CD1-CG2 3.73Å
315	L	91.6	Very high	91.6	Very high	18 Å²	18	40.6 Å²	40.6	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-30.1	169.7	-59.4	-179.4	0	0	0	111.3	V241 W274 L279 V281 I327	V241-L315 HydrophobicContact CG1-CB 4.39Å; V241-L315 HydrophobicContact CG1-CD2 4.26Å; W274-L315 HydrophobicContact CZ3-CB 4.25Å; L279-L315 HydrophobicContact CD2-CD1 3.94Å; V281-L315 HydrophobicContact CG1-CD1 3.72Å; L315-I327 HydrophobicContact CB-CG2 4.43Å; L315-I327 PolarHBondContact N-O 3.3Å
316	G	92.5	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168	-167	169.6	0	0	0	0	0	112.8	W248 M250 L314 I327	W248-G316 CarbonylContact O-C 3.59Å; W248-G316 WeakPolarHBondContact O-CA 3.42Å; M250-G316 VanDerWaalsContact CE-CA 3.41Å; L314-G316 WeakPolarHBondContact CD1-O 3.42Å; G316-I327 PolarHBondContact N-O 3.25Å; G316-I327 PolarHBondContact O-N 3.26Å
317	V	94.4	Very high	92.3	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161	-173.9	-63.8	0	0	0	0	111.9	W248 E249 M250 A300 L314 T319 Y325 I326	W248-V317 HydrophobicContact CB-CG2 4.22Å; W248-V317 PolarHBondContact O-N 2.96Å; E249-V317 WeakPolarHBondContact CA-O 3.35Å; E249-V317 HydrophobicContact CG-CG2 4.38Å; M250-V317 PolarHBondContact N-O 2.98Å; A300-V317 HydrophobicContact CB-CG1 4.18Å; L314-V317 HydrophobicContact CD1-CG1 4.05Å; L314-V317 HydrophobicContact CD2-CG1 4.47Å; V317-T319 HydrophobicContact CB-CG2 4.03Å; V317-T319 HydrophobicContact CG2-CG2 4.14Å; V317-Y325 WeakPolarHBondContact CA-O 3.47Å; V317-I326 HydrophobicContact CG1-CG1 4.42Å
318	C	94.2	Very high	92.5	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	96.7	163.3	-57.2	0	0	0	0	108.7	M250 F324 Y325	M250-C318 VanDerWaalsContact CG-SG 3.56Å; M250-C318 PolarHBondContact O-SG 2.81Å; C318-F324 WeakPolarHBondContact O-CA 3.27Å; C318-Y325 PolarHBondContact N-O 3Å; C318-Y325 PolarHBondContact O-N 2.86Å; C318-Y325 VanDerWaalsContact O-N 3.14Å
319	T	91.8	Very high	92.4	Very high	50 Å²	50	34.3 Å²	34.3	31%	0.307	17%	0.173	S	C	.	.			trans	-117.6	1.8	-178.4	74.5	0	0	0	0	114.6	E249 L297 V317 E321 F324	E249-T319 PolarHBondContact OE1-N 2.95Å; E249-T319 PolarHBondContact OE1-OG1 2.66Å; E249-T319 VanDerWaalsContact OE1-OG1 3.07Å; L297-T319 HydrophobicContact CD2-CG2 3.66Å; V317-T319 HydrophobicContact CB-CG2 4.03Å; V317-T319 HydrophobicContact CG2-CG2 4.14Å; T319-E321 VanDerWaalsContact C-N 3.33Å; T319-E321 PolarHBondContact O-N 3.21Å; T319-F324 VanDerWaalsContact O-CE1 3.24Å; T319-F324 WeakPolarHBondContact O-CE1 3.27Å
320	R	90.1	Very high	92.5	Very high	201 Å²	201	34.8 Å²	34.8	76%	0.758	17%	0.17	S	C	*	.	S	Bend	trans	-62.6	-35.6	177.6	-72.5	165.5	-162.1	-137.1	0.3	114.2	E249	E249-R320 VanDerWaalsContact OE2-CD 3.31Å; E249-R320 WeakPolarHBondContact OE2-CD 3.42Å; E249-R320 VanDerWaalsContact OE2-CG 3.24Å; E249-R320 WeakPolarHBondContact OE2-CG 3.3Å; E249-R320 IonicContact OE2-CZ 3.74Å; E249-R320 IonicContact OE2-NE 2.74Å; E249-R320 PolarHBondContact OE2-NE 2.89Å
321	E	89.1	Confident	92.5	Very high	116 Å²	116	34.7 Å²	34.7	54%	0.542	17%	0.17	S	C	.	.	S	Bend	trans	-154.8	152.6	-175	51.2	170.1	-135.1	0	0	109.7	R252 T319 F324	R252-E321 IonicContact CZ-OE1 3.02Å; R252-E321 IonicContact NH1-OE1 3.93Å; R252-E321 PolarHBondContact NH1-OE1 3.47Å; R252-E321 PolarHBondContact NH2-O 3.42Å; T319-E321 VanDerWaalsContact C-N 3.33Å; T319-E321 PolarHBondContact O-N 3.21Å; E321-F324 VanDerWaalsContact O-CD1 3.3Å; E321-F324 WeakPolarHBondContact O-CD1 3.44Å; E321-F324 WeakPolarHBondContact O-CE1 3.46Å
322	P	87.6	Confident	92.4	Very high	88 Å²	88	37.7 Å²	37.7	57%	0.571	19%	0.188	S	C	*	.	S	Bend	trans	-63.5	160.2	172.6	-22.5	34.8	0	0	0	113.2	R252 F324	R252-P322 PolarHBondContact NH1-O 3.1Å; R252-P322 VanDerWaalsContact NH2-C 3.3Å; R252-P322 PolarHBondContact NH2-O 3.24Å; P322-F324 HydrophobicContact CG-CE1 4.32Å; P322-F324 HydrophobicContact CG-CZ 4.28Å
323	P	88.5	Confident	92.5	Very high	41 Å²	41	41.9 Å²	41.9	27%	0.266	21%	0.207	S	C	.	.	S	Bend	cis	-71.8	132.4	-13.3	29.9	-35.1	0	0	0	111	R252 Y325	R252-P323 PolarHBondContact NH2-O 3.33Å; P323-Y325 HydrophobicContact CB-CE1 4.27Å; P323-Y325 HydrophobicContact CG-CE1 3.9Å; P323-Y325 WeakPolarHBondContact O-CD1 3.36Å
324	F	90.6	Very high	92.6	Very high	31 Å²	31	43.4 Å²	43.4	14%	0.136	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-73.4	134.7	-176.5	-58.8	-41.9	0	0	0	112.1	L286 V293 F296 C318 T319 E321 P322	L286-F324 HydrophobicContact CD2-CD2 4.03Å; L286-F324 PolarHBondContact N-O 2.89Å; V293-F324 HydrophobicContact CG1-CD2 4.35Å; V293-F324 HydrophobicContact CG1-CE2 3.81Å; F296-F324 HydrophobicContact CD1-CB 4.06Å; F296-F324 HydrophobicContact CE1-CB 3.59Å; F296-F324 HydrophobicContact CZ-CB 4.35Å; F296-F324 VanDerWaalsContact CZ-O 3.31Å; F296-F324 WeakPolarHBondContact CZ-O 3.4Å; C318-F324 WeakPolarHBondContact O-CA 3.27Å; T319-F324 VanDerWaalsContact O-CE1 3.24Å; T319-F324 WeakPolarHBondContact O-CE1 3.27Å; E321-F324 VanDerWaalsContact O-CD1 3.3Å; E321-F324 WeakPolarHBondContact O-CD1 3.44Å; E321-F324 WeakPolarHBondContact O-CE1 3.46Å; P322-F324 HydrophobicContact CG-CE1 4.32Å; P322-F324 HydrophobicContact CG-CZ 4.28Å
325	Y	93.2	Very high	92.7	Very high	25 Å²	25	45.2 Å²	45.2	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.2	-179.1	-66.6	-4	0	0	0	111.5	R252 I255 M257 V283 K284 T285 V317 C318 P323	R252-Y325 HydrophobicContact CG-CD2 4.29Å; R252-Y325 HydrophobicContact CG-CE2 3.69Å; I255-Y325 HydrophobicContact CG2-CE2 4.44Å; M257-Y325 HydrophobicContact SD-CE2 3.97Å; V283-Y325 HydrophobicContact CG1-CD1 4.21Å; V283-Y325 HydrophobicContact CG1-CD2 3.75Å; V283-Y325 HydrophobicContact CG1-CE2 4.23Å; V283-Y325 HydrophobicContact CG1-CG 3.74Å; K284-Y325 WeakPolarHBondContact O-CA 3.27Å; T285-Y325 HydrophobicContact CG2-CD1 3.65Å; T285-Y325 HydrophobicContact CG2-CE1 3.55Å; V317-Y325 WeakPolarHBondContact CA-O 3.47Å; C318-Y325 PolarHBondContact N-O 3Å; C318-Y325 PolarHBondContact O-N 2.86Å; C318-Y325 VanDerWaalsContact O-N 3.14Å; P323-Y325 HydrophobicContact CB-CE1 4.27Å; P323-Y325 HydrophobicContact CG-CE1 3.9Å; P323-Y325 WeakPolarHBondContact O-CD1 3.36Å
326	I	92.9	Very high	93	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125	159.3	-67.1	166.1	0	0	0	106.7	V283 K284 F296 E299 A300 M303 L314 V317 T328	V283-I326 WeakPolarHBondContact CA-O 3.01Å; K284-I326 HydrophobicContact CB-CB 4.29Å; K284-I326 PolarHBondContact N-O 2.61Å; K284-I326 PolarHBondContact O-N 3.07Å; F296-I326 HydrophobicContact CD1-CD1 4.19Å; F296-I326 HydrophobicContact CD1-CG1 4.47Å; F296-I326 HydrophobicContact CD2-CD1 4.27Å; F296-I326 HydrophobicContact CE1-CD1 3.89Å; F296-I326 HydrophobicContact CE1-CG1 3.75Å; F296-I326 HydrophobicContact CE2-CD1 3.99Å; F296-I326 HydrophobicContact CE2-CG1 4.36Å; F296-I326 HydrophobicContact CG-CD1 4.37Å; F296-I326 HydrophobicContact CZ-CB 4.32Å; F296-I326 HydrophobicContact CZ-CD1 3.8Å; F296-I326 HydrophobicContact CZ-CG1 3.7Å; E299-I326 HydrophobicContact CB-CD1 4.39Å; E299-I326 HydrophobicContact CG-CD1 4.29Å; A300-I326 HydrophobicContact CB-CD1 3.92Å; A300-I326 HydrophobicContact CB-CG1 3.97Å; M303-I326 HydrophobicContact SD-CG2 4.16Å; L314-I326 HydrophobicContact CD1-CG2 3.73Å; V317-I326 HydrophobicContact CG1-CG1 4.42Å; I326-T328 HydrophobicContact CG2-CG2 4.12Å
327	I	94.1	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.5	-176.4	-58.1	83	0	0	0	108.7	M250 V281 A282 V283 L315 G316	M250-I327 HydrophobicContact CE-CB 3.81Å; M250-I327 HydrophobicContact CE-CD1 3.87Å; M250-I327 HydrophobicContact CE-CG1 3.95Å; M250-I327 HydrophobicContact CE-CG2 4.18Å; M250-I327 HydrophobicContact CG-CD1 4.38Å; M250-I327 HydrophobicContact SD-CB 4.36Å; M250-I327 HydrophobicContact SD-CD1 3.81Å; M250-I327 HydrophobicContact SD-CG1 3.88Å; V281-I327 HydrophobicContact CB-CG2 3.75Å; V281-I327 HydrophobicContact CG1-CG2 3.99Å; V281-I327 HydrophobicContact CG2-CG2 3.88Å; A282-I327 WeakPolarHBondContact O-CA 3.27Å; V283-I327 HydrophobicContact CG1-CG1 4.43Å; V283-I327 HydrophobicContact CG2-CG1 4.39Å; L315-I327 HydrophobicContact CB-CG2 4.43Å; L315-I327 PolarHBondContact N-O 3.3Å; G316-I327 PolarHBondContact N-O 3.25Å; G316-I327 PolarHBondContact O-N 3.26Å
328	T	94.3	Very high	93.4	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	169.5	-179.7	68.8	0	0	0	0	111.3	V281 A282 M303 V312 Q313 I326	V281-T328 WeakPolarHBondContact CA-O 3.39Å; V281-T328 WeakPolarHBondContact CB-O 3.19Å; A282-T328 PolarHBondContact N-O 3.1Å; A282-T328 PolarHBondContact O-N 3.13Å; M303-T328 HydrophobicContact CE-CG2 3.76Å; M303-T328 HydrophobicContact SD-CG2 4.48Å; V312-T328 HydrophobicContact CG1-CG2 4.11Å; Q313-T328 WeakPolarHBondContact O-CA 3.44Å; Q313-T328 WeakPolarHBondContact O-CB 3.32Å; I326-T328 HydrophobicContact CG2-CG2 4.12Å
329	E	92.3	Very high	93.6	Very high	41 Å²	41	49.3 Å²	49.3	19%	0.192	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	148.2	167	68.7	-166.5	134.5	0	0	111.8	V312 Q313 M331 K391	V312-E329 HydrophobicContact CG1-CG 4.37Å; Q313-E329 WeakPolarHBondContact CB-OE1 3.35Å; Q313-E329 PolarHBondContact N-OE1 3.46Å; Q313-E329 PolarHBondContact O-N 3.07Å; E329-M331 HydrophobicContact CG-SD 4.27Å; E329-K391 WeakPolarHBondContact OE1-CD 3.31Å; E329-K391 WeakPolarHBondContact OE1-CE 3.43Å; E329-K391 IonicContact OE1-NZ 2.81Å; E329-K391 PolarHBondContact OE1-NZ 2.91Å; E329-K391 WeakPolarHBondContact OE2-CE 3.34Å; E329-K391 IonicContact OE2-NZ 3.94Å; E329-K391 PolarHBondContact OE2-NZ 2.73Å
330	F	95	Very high	93.9	Very high	60 Å²	60	46.9 Å²	46.9	26%	0.263	24%	0.237	S	C	.	.			trans	-92.5	126	175.3	177.6	-105.2	0	0	0	110.7	L261 E271 T280 T332	L261-F330 HydrophobicContact CD1-CD2 4.04Å; L261-F330 HydrophobicContact CD1-CE2 3.72Å; L261-F330 HydrophobicContact CD2-CE2 3.94Å; L261-F330 HydrophobicContact CG-CE2 4.49Å; E271-F330 HydrophobicContact CG-CD2 4.37Å; E271-F330 HydrophobicContact CG-CE2 4.17Å; T280-F330 HydrophobicContact CG2-CB 3.92Å; T280-F330 HydrophobicContact CG2-CD1 3.69Å; T280-F330 HydrophobicContact CG2-CD2 4.29Å; T280-F330 HydrophobicContact CG2-CE1 4.28Å; T280-F330 HydrophobicContact CG2-CG 3.69Å; T280-F330 WeakPolarHBondContact O-CB 3.24Å; F330-T332 HydrophobicContact CD1-CG2 4.24Å; F330-T332 HydrophobicContact CE1-CG2 4.25Å
331	M	95.3	Very high	94.3	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.064	22%	0.223	C	C	.	.			trans	-98.6	108.9	-178.1	-64.3	-66.1	-73	0	0	109.8	E329 H333 G334 L383 V384 K391	E329-M331 HydrophobicContact CG-SD 4.27Å; M331-H333 VanDerWaalsContact C-N 3.31Å; M331-H333 PolarHBondContact O-N 2.98Å; M331-G334 PolarHBondContact O-N 2.96Å; M331-L383 HydrophobicContact CB-CB 3.68Å; M331-L383 HydrophobicContact CB-CD1 4.11Å; M331-L383 HydrophobicContact CE-CB 4.13Å; M331-L383 VanDerWaalsContact CE-O 3.29Å; M331-L383 WeakPolarHBondContact CE-O 3.48Å; M331-L383 HydrophobicContact CG-CB 3.65Å; M331-L383 HydrophobicContact CG-CD1 3.89Å; M331-L383 HydrophobicContact CG-CG 4.44Å; M331-V384 CarbonylContact C-O 3.59Å; M331-K391 HydrophobicContact CE-CB 3.91Å; M331-K391 HydrophobicContact CE-CD 4.03Å; M331-K391 HydrophobicContact CE-CG 3.65Å; M331-K391 HydrophobicContact SD-CD 3.96Å; M331-K391 HydrophobicContact SD-CG 4.26Å
332	T	94.6	Very high	94.6	Very high	62 Å²	62	45.7 Å²	45.7	38%	0.38	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.5	-161.3	47.2	0	0	0	0	115.9	F330 V384 E386	F330-T332 HydrophobicContact CD1-CG2 4.24Å; F330-T332 HydrophobicContact CE1-CG2 4.25Å; T332-V384 PolarHBondContact N-O 3.31Å; T332-E386 HydrophobicContact CG2-CG 4.42Å; T332-E386 PolarHBondContact OG1-N 2.95Å
333	H	95.1	Very high	95.1	Very high	97 Å²	97	42.6 Å²	42.6	45%	0.449	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	14.7	-178.4	-62	-79.4	0	0	0	113.2	M331 Y339 V384 G385	M331-H333 VanDerWaalsContact C-N 3.31Å; M331-H333 PolarHBondContact O-N 2.98Å; H333-Y339 HydrophobicContact CB-CD2 3.84Å; H333-Y339 HydrophobicContact CB-CE2 4.11Å; H333-V384 WeakPolarHBondContact CA-O 3.4Å; H333-V384 HydrophobicContact CB-CB 3.94Å; H333-V384 HydrophobicContact CB-CG1 3.95Å; H333-V384 WeakPolarHBondContact CB-O 3.31Å; H333-V384 PolarHBondContact N-O 3.29Å; H333-G385 PolarHBondContact CD2-O 3.04Å
334	G	94.4	Very high	95.4	Very high	34 Å²	34	44.6 Å²	44.6	35%	0.351	22%	0.223	S	C	.	.			trans	71.1	-136.7	175.8	0	0	0	0	0	112.8	M331 L383 V384	M331-G334 PolarHBondContact O-N 2.96Å; G334-L383 CarbonylContact O-C 3.53Å; G334-L383 VanDerWaalsContact O-CA 3.24Å; G334-L383 WeakPolarHBondContact O-CA 3.29Å; G334-V384 PolarHBondContact O-N 3.48Å
335	N	95.7	Very high	95.5	Very high	37 Å²	37	48.2 Å²	48.2	20%	0.198	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-98.4	150.2	-177.3	80.5	81.4	0	0	0	112.7	L337 D338 Y339 R380 C382 L383	N335-L337 VanDerWaalsContact C-N 3.32Å; N335-L337 PolarHBondContact O-N 2.73Å; N335-L337 VanDerWaalsContact OD1-CB 3.31Å; N335-L337 WeakPolarHBondContact OD1-CB 3.36Å; N335-L337 PolarHBondContact OD1-N 3.14Å; N335-D338 PolarHBondContact ND2-OD2 2.94Å; N335-D338 PolarHBondContact O-N 3.25Å; N335-D338 PolarHBondContact OD1-N 2.93Å; N335-D338 VanDerWaalsContact OD1-N 3.08Å; N335-Y339 VanDerWaalsContact O-CB 3.31Å; N335-Y339 WeakPolarHBondContact O-CB 3.39Å; N335-Y339 PolarHBondContact O-N 3.26Å; N335-R380 WeakPolarHBondContact CB-O 3.29Å; N335-C382 CarbonylContact C-O 3.57Å; N335-C382 WeakPolarHBondContact CA-O 3.43Å; N335-L383 HydrophobicContact CB-CD2 3.98Å
336	L	98.2	Very high	95.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-31.9	-174.5	179.8	64.1	0	0	0	112.8	Y339 L340 M356 I360 A379 C382 V384 V390 I445	L336-Y339 HydrophobicContact CD1-CD1 4.34Å; L336-L340 HydrophobicContact CD1-CD1 4.06Å; L336-L340 HydrophobicContact CD1-CD2 4.42Å; L336-L340 HydrophobicContact CD1-CG 3.88Å; L336-L340 HydrophobicContact CG-CD1 3.86Å; L336-L340 HydrophobicContact CG-CG 4.18Å; L336-L340 VanDerWaalsContact O-CB 3.28Å; L336-L340 WeakPolarHBondContact O-CB 3.26Å; L336-L340 WeakPolarHBondContact O-CD1 3.03Å; L336-L340 WeakPolarHBondContact O-CG 3.18Å; L336-L340 PolarHBondContact O-N 3.06Å; L336-M356 HydrophobicContact CD1-CE 4.13Å; L336-M356 HydrophobicContact CD1-SD 3.62Å; L336-I360 HydrophobicContact CD2-CD1 3.73Å; L336-A379 WeakPolarHBondContact CB-O 3.36Å; L336-A379 PolarHBondContact N-O 3.17Å; L336-C382 HydrophobicContact CB-CB 3.87Å; L336-C382 HydrophobicContact CD2-CB 3.94Å; L336-C382 PolarHBondContact N-O 3.36Å; L336-V384 HydrophobicContact CB-CG2 3.87Å; L336-V384 HydrophobicContact CD1-CG2 3.76Å; L336-V384 HydrophobicContact CG-CG2 4.44Å; L336-V390 HydrophobicContact CD2-CG1 4.42Å; L336-I445 HydrophobicContact CD2-CD1 4.26Å; L336-I445 HydrophobicContact CD2-CG1 4.21Å
337	L	97.6	Very high	95.4	Very high	18 Å²	18	60.4 Å²	60.4	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-43	-179.4	-180	59.2	0	0	0	112.2	N335 R341 A379 R380 E444	N335-L337 VanDerWaalsContact C-N 3.32Å; N335-L337 PolarHBondContact O-N 2.73Å; N335-L337 VanDerWaalsContact OD1-CB 3.31Å; N335-L337 WeakPolarHBondContact OD1-CB 3.36Å; N335-L337 PolarHBondContact OD1-N 3.14Å; L337-R341 WeakPolarHBondContact O-CD 3.45Å; L337-R341 WeakPolarHBondContact O-CG 3.37Å; L337-A379 HydrophobicContact CB-CB 3.75Å; L337-A379 HydrophobicContact CD1-CB 4.21Å; L337-A379 PolarHBondContact N-O 2.92Å; L337-R380 HydrophobicContact CD2-CB 4.24Å; L337-E444 WeakPolarHBondContact CD1-OE1 3.5Å
338	D	96.8	Very high	95.4	Very high	64 Å²	64	60.4 Å²	60.4	34%	0.342	30%	0.297	S	S	.	.	H	α-helix	trans	-81.6	-36.6	178.4	-61.2	-39	0	0	0	111.2	N335 L340 R341 E342	N335-D338 PolarHBondContact ND2-OD2 2.94Å; N335-D338 PolarHBondContact O-N 3.25Å; N335-D338 PolarHBondContact OD1-N 2.93Å; N335-D338 VanDerWaalsContact OD1-N 3.08Å; D338-L340 VanDerWaalsContact C-N 3.34Å; D338-L340 PolarHBondContact O-N 3.46Å; D338-R341 WeakPolarHBondContact O-CB 3.36Å; D338-R341 PolarHBondContact O-N 3.36Å; D338-R341 IonicContact OD1-CZ 3.31Å; D338-R341 IonicContact OD1-NH1 2.69Å; D338-R341 PolarHBondContact OD1-NH1 3.26Å; D338-E342 PolarHBondContact O-N 3.08Å; D338-E342 VanDerWaalsContact O-N 3.08Å
339	Y	98.1	Very high	95.4	Very high	36 Å²	36	61.8 Å²	61.8	14%	0.141	30%	0.303	C	S	.	.	H	α-helix	trans	-54	-46.8	170.7	-179.1	-98.5	0	0	0	112.6	H333 N335 L336 R341 E342 C343 V348 M356 V384 H388	H333-Y339 HydrophobicContact CB-CD2 3.84Å; H333-Y339 HydrophobicContact CB-CE2 4.11Å; N335-Y339 VanDerWaalsContact O-CB 3.31Å; N335-Y339 WeakPolarHBondContact O-CB 3.39Å; N335-Y339 PolarHBondContact O-N 3.26Å; L336-Y339 HydrophobicContact CD1-CD1 4.34Å; Y339-R341 PolarHBondContact O-N 3.39Å; Y339-E342 PolarHBondContact O-N 3.43Å; Y339-C343 HydrophobicContact CE1-CB 4.31Å; Y339-C343 WeakPolarHBondContact O-CB 3.42Å; Y339-C343 PolarHBondContact O-N 2.71Å; Y339-V348 HydrophobicContact CE1-CG1 4.46Å; Y339-V348 HydrophobicContact CE1-CG2 4.11Å; Y339-M356 HydrophobicContact CE1-SD 4.36Å; Y339-V384 HydrophobicContact CD1-CG1 4.24Å; Y339-V384 HydrophobicContact CD1-CG2 4.13Å; Y339-V384 HydrophobicContact CD2-CG1 4.31Å; Y339-V384 HydrophobicContact CE1-CG1 4.27Å; Y339-V384 HydrophobicContact CE2-CG1 4.33Å; Y339-V384 HydrophobicContact CG-CB 4.38Å; Y339-V384 HydrophobicContact CG-CG1 4.27Å; Y339-V384 HydrophobicContact CG-CG2 4.11Å; Y339-H388 PolarHBondContact OH-CD2 3.45Å; Y339-H388 PolarHBondContact OH-NE2 3.13Å; Y339-H388 VanDerWaalsContact OH-NE2 3.11Å
340	L	98.3	Very high	95.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-25.9	177.3	-78.3	168.7	0	0	0	113.9	L336 D338 C343 L353 M356 I445 Y448	L336-L340 HydrophobicContact CD1-CD1 4.06Å; L336-L340 HydrophobicContact CD1-CD2 4.42Å; L336-L340 HydrophobicContact CD1-CG 3.88Å; L336-L340 HydrophobicContact CG-CD1 3.86Å; L336-L340 HydrophobicContact CG-CG 4.18Å; L336-L340 VanDerWaalsContact O-CB 3.28Å; L336-L340 WeakPolarHBondContact O-CB 3.26Å; L336-L340 WeakPolarHBondContact O-CD1 3.03Å; L336-L340 WeakPolarHBondContact O-CG 3.18Å; L336-L340 PolarHBondContact O-N 3.06Å; D338-L340 VanDerWaalsContact C-N 3.34Å; D338-L340 PolarHBondContact O-N 3.46Å; L340-C343 PolarHBondContact O-SG 2.94Å; L340-L353 HydrophobicContact CD2-CD2 3.57Å; L340-M356 HydrophobicContact CD2-CE 4.01Å; L340-I445 HydrophobicContact CD1-CG1 4.2Å; L340-Y448 HydrophobicContact CD2-CD1 4.46Å; L340-Y448 WeakPolarHBondContact O-CB 3.31Å
341	R	97.9	Very high	95.5	Very high	123 Å²	123	58.4 Å²	58.4	46%	0.464	29%	0.292	S	S	.	.	H	α-helix	trans	-84.4	-31.6	179.6	-69	165.9	176.4	159.5	-0.4	112.7	L337 D338 Y339 G449	L337-R341 WeakPolarHBondContact O-CD 3.45Å; L337-R341 WeakPolarHBondContact O-CG 3.37Å; D338-R341 WeakPolarHBondContact O-CB 3.36Å; D338-R341 PolarHBondContact O-N 3.36Å; D338-R341 IonicContact OD1-CZ 3.31Å; D338-R341 IonicContact OD1-NH1 2.69Å; D338-R341 PolarHBondContact OD1-NH1 3.26Å; Y339-R341 PolarHBondContact O-N 3.39Å; R341-G449 PolarHBondContact NE-O 3.18Å; R341-G449 PolarHBondContact NH2-O 3.5Å
342	E	97.1	Very high	95.6	Very high	168 Å²	168	57.9 Å²	57.9	79%	0.785	29%	0.289	S	S	*	.	H	α-helix	trans	-100.9	-13.8	-172.6	-63.5	-176.4	179.1	0	0	113.3	D338 Y339	D338-E342 PolarHBondContact O-N 3.08Å; D338-E342 VanDerWaalsContact O-N 3.08Å; Y339-E342 PolarHBondContact O-N 3.43Å
343	C	96.1	Very high	95.7	Very high	23 Å²	23	55.9 Å²	55.9	16%	0.155	28%	0.276	C	S	.	.	S	Bend	trans	-69.3	155.7	-177.8	68.4	0	0	0	0	114.8	Y339 L340 K345 V348	Y339-C343 HydrophobicContact CE1-CB 4.31Å; Y339-C343 WeakPolarHBondContact O-CB 3.42Å; Y339-C343 PolarHBondContact O-N 2.71Å; L340-C343 PolarHBondContact O-SG 2.94Å; C343-K345 PolarHBondContact O-N 3Å; C343-V348 HydrophobicContact CB-CB 4.23Å; C343-V348 HydrophobicContact CB-CG2 3.66Å
344	N	96.1	Very high	95.8	Very high	83 Å²	83	51.6 Å²	51.6	44%	0.444	26%	0.257	S	S	.	.			trans	-72.8	120.1	164.4	-179.2	8.1	0	0	0	109.7	E346 E347 V348	N344-E346 VanDerWaalsContact C-N 3.29Å; N344-E346 PolarHBondContact O-N 2.88Å; N344-E346 PolarHBondContact OD1-N 3.43Å; N344-E346 VanDerWaalsContact OD1-N 3.08Å; N344-E347 HydrophobicContact CB-CB 4.26Å; N344-E347 PolarHBondContact O-N 3.44Å; N344-V348 PolarHBondContact O-N 3.28Å
345	K	93.5	Very high	95.9	Very high	108 Å²	108	52 Å²	52	47%	0.47	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.8	-177.6	-54.6	-165.6	176.9	-165.4	0	114.4	C343 Y448	C343-K345 PolarHBondContact O-N 3Å; K345-Y448 HydrophobicContact CB-CE1 3.99Å; K345-Y448 HydrophobicContact CD-CD1 3.79Å; K345-Y448 HydrophobicContact CD-CD2 4.14Å; K345-Y448 HydrophobicContact CD-CE1 3.77Å; K345-Y448 HydrophobicContact CD-CE2 4.13Å; K345-Y448 HydrophobicContact CD-CG 3.98Å; K345-Y448 HydrophobicContact CG-CD1 3.9Å; K345-Y448 HydrophobicContact CG-CE1 3.63Å; K345-Y448 VanDerWaalsContact NZ-CB 3.3Å; K345-Y448 VanDerWaalsContact NZ-CG 3.34Å
346	E	90.9	Very high	96	Very high	164 Å²	164	50.2 Å²	50.2	77%	0.766	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.7	171	-60.5	178.8	163	0	0	110.7	N344 N349	N344-E346 VanDerWaalsContact C-N 3.29Å; N344-E346 PolarHBondContact O-N 2.88Å; N344-E346 PolarHBondContact OD1-N 3.43Å; N344-E346 VanDerWaalsContact OD1-N 3.08Å; E346-N349 PolarHBondContact O-ND2 3.31Å
347	E	91.2	Very high	96	Very high	119 Å²	119	50.4 Å²	50.4	56%	0.556	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-55.6	173.9	-178.1	175	-168.8	0	0	110.9	N344 N349 V352	N344-E347 HydrophobicContact CB-CB 4.26Å; N344-E347 PolarHBondContact O-N 3.44Å; E347-N349 PolarHBondContact O-N 3.36Å; E347-N349 PolarHBondContact O-ND2 2.82Å; E347-V352 VanDerWaalsContact O-CG2 3.32Å; E347-V352 WeakPolarHBondContact O-CG2 3.38Å
348	V	95.7	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-83.7	59	177.5	-169	0	0	0	0	110	Y339 C343 N344 V352 L353 M356 Y448	Y339-V348 HydrophobicContact CE1-CG1 4.46Å; Y339-V348 HydrophobicContact CE1-CG2 4.11Å; C343-V348 HydrophobicContact CB-CB 4.23Å; C343-V348 HydrophobicContact CB-CG2 3.66Å; N344-V348 PolarHBondContact O-N 3.28Å; V348-V352 HydrophobicContact CG1-CB 4.22Å; V348-V352 HydrophobicContact CG1-CG1 3.98Å; V348-L353 HydrophobicContact CG1-CD2 4.03Å; V348-M356 HydrophobicContact CG1-CE 3.72Å; V348-Y448 WeakPolarHBondContact O-CE1 3.09Å; V348-Y448 PolarHBondContact O-OH 3.45Å; V348-Y448 VanDerWaalsContact O-OH 3.12Å
349	N	94.3	Very high	96.1	Very high	48 Å²	48	47.5 Å²	47.5	26%	0.257	23%	0.225	S	C	.	.			trans	-78.3	-176.5	178	63.5	63.5	0	0	0	112.3	E346 E347 V351 V352 L353	E346-N349 PolarHBondContact O-ND2 3.31Å; E347-N349 PolarHBondContact O-N 3.36Å; E347-N349 PolarHBondContact O-ND2 2.82Å; N349-V351 VanDerWaalsContact C-N 3.27Å; N349-V351 PolarHBondContact O-N 3.02Å; N349-V351 VanDerWaalsContact O-N 3.15Å; N349-V351 WeakPolarHBondContact OD1-CB 3.37Å; N349-V351 PolarHBondContact OD1-N 3.41Å; N349-V351 VanDerWaalsContact OD1-N 3.08Å; N349-V352 WeakPolarHBondContact O-CA 3.48Å; N349-V352 WeakPolarHBondContact O-CB 3.49Å; N349-V352 PolarHBondContact O-N 2.69Å; N349-L353 PolarHBondContact O-N 2.74Å
350	A	95	Very high	96.1	Very high	15 Å²	15	45.9 Å²	45.9	12%	0.124	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-33.9	-175.3	0	0	0	0	0	115	V352 L353 L354 I515 V519	A350-V352 VanDerWaalsContact C-N 3.34Å; A350-L353 PolarHBondContact O-N 2.8Å; A350-L354 WeakPolarHBondContact O-CB 3.41Å; A350-L354 PolarHBondContact O-N 3.17Å; A350-I515 HydrophobicContact CB-CD1 4.38Å; A350-I515 HydrophobicContact CB-CG1 4.22Å; A350-I515 HydrophobicContact CB-CG2 4.21Å; A350-V519 HydrophobicContact CB-CG2 3.81Å
351	V	94.2	Very high	96.1	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-39	176.4	-177.1	0	0	0	0	110.5	E151 N349 Y355 I515	E151-V351 HydrophobicContact CB-CG1 4.21Å; N349-V351 VanDerWaalsContact C-N 3.27Å; N349-V351 PolarHBondContact O-N 3.02Å; N349-V351 VanDerWaalsContact O-N 3.15Å; N349-V351 WeakPolarHBondContact OD1-CB 3.37Å; N349-V351 PolarHBondContact OD1-N 3.41Å; N349-V351 VanDerWaalsContact OD1-N 3.08Å; V351-Y355 WeakPolarHBondContact O-CB 3.39Å; V351-Y355 PolarHBondContact O-N 3.06Å; V351-I515 HydrophobicContact CB-CG2 4.44Å; V351-I515 HydrophobicContact CG2-CG2 3.85Å
352	V	96.3	Very high	96.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-71.9	-41.6	177.4	-169.4	0	0	0	0	111	Y152 E347 V348 N349 A350 L354 Y355 M356 H388	Y152-V352 HydrophobicContact CD2-CG2 4.16Å; Y152-V352 HydrophobicContact CE2-CG1 4.32Å; Y152-V352 HydrophobicContact CE2-CG2 4.14Å; E347-V352 VanDerWaalsContact O-CG2 3.32Å; E347-V352 WeakPolarHBondContact O-CG2 3.38Å; V348-V352 HydrophobicContact CG1-CB 4.22Å; V348-V352 HydrophobicContact CG1-CG1 3.98Å; N349-V352 WeakPolarHBondContact O-CA 3.48Å; N349-V352 WeakPolarHBondContact O-CB 3.49Å; N349-V352 PolarHBondContact O-N 2.69Å; A350-V352 VanDerWaalsContact C-N 3.34Å; V352-L354 VanDerWaalsContact C-N 3.34Å; V352-L354 PolarHBondContact O-N 2.97Å; V352-Y355 PolarHBondContact O-N 3.46Å; V352-M356 HydrophobicContact CG1-CE 4.28Å; V352-M356 WeakPolarHBondContact O-CG 3.24Å; V352-M356 PolarHBondContact O-N 2.63Å; V352-H388 HydrophobicContact CG1-CB 3.94Å; V352-H388 VanDerWaalsContact CG1-CD2 3.45Å; V352-H388 WeakPolarHBondContact CG1-CD2 3.36Å; V352-H388 VanDerWaalsContact CG1-CG 3.45Å
353	L	98	Very high	96.1	Very high	20 Å²	20	33.2 Å²	33.2	11%	0.105	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-44.2	173.7	-64.2	-176.7	0	0	0	111.9	L340 V348 N349 A350 M356 A357 I445 Y448	L340-L353 HydrophobicContact CD2-CD2 3.57Å; V348-L353 HydrophobicContact CG1-CD2 4.03Å; N349-L353 PolarHBondContact O-N 2.74Å; A350-L353 PolarHBondContact O-N 2.8Å; L353-M356 HydrophobicContact CD2-CE 3.84Å; L353-M356 PolarHBondContact O-N 3.07Å; L353-A357 WeakPolarHBondContact O-CB 3.44Å; L353-A357 PolarHBondContact O-N 2.89Å; L353-I445 HydrophobicContact CB-CG2 3.96Å; L353-I445 HydrophobicContact CD2-CG2 4.02Å; L353-I445 HydrophobicContact CG-CG2 4.48Å; L353-Y448 HydrophobicContact CD1-CE1 4.31Å; L353-Y448 HydrophobicContact CD1-CE2 3.99Å; L353-Y448 HydrophobicContact CD2-CE1 4.19Å
354	L	96.2	Very high	96.2	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-48	174.3	177.7	62.4	0	0	0	111.3	N148 A350 V352 M356 A357 T358 F506 F510 I515	N148-L354 HydrophobicContact CB-CD2 4.11Å; A350-L354 WeakPolarHBondContact O-CB 3.41Å; A350-L354 PolarHBondContact O-N 3.17Å; V352-L354 VanDerWaalsContact C-N 3.34Å; V352-L354 PolarHBondContact O-N 2.97Å; L354-M356 VanDerWaalsContact C-N 3.28Å; L354-M356 PolarHBondContact O-N 2.9Å; L354-A357 PolarHBondContact O-N 2.82Å; L354-A357 VanDerWaalsContact O-N 3.09Å; L354-T358 PolarHBondContact O-N 2.92Å; L354-T358 PolarHBondContact O-OG1 3.19Å; L354-T358 VanDerWaalsContact O-OG1 3.14Å; L354-F506 HydrophobicContact CD1-CD1 3.52Å; L354-F506 HydrophobicContact CD1-CE1 4.13Å; L354-F506 HydrophobicContact CD1-CG 4.33Å; L354-F510 HydrophobicContact CD1-CE2 4.37Å; L354-F510 HydrophobicContact CD2-CD2 3.76Å; L354-F510 HydrophobicContact CD2-CE2 4.03Å; L354-I515 HydrophobicContact CB-CD1 3.92Å; L354-I515 HydrophobicContact CD2-CB 4.28Å; L354-I515 HydrophobicContact CD2-CD1 4.12Å; L354-I515 HydrophobicContact CD2-CG2 4.13Å; L354-I515 HydrophobicContact CG-CD1 4.43Å
355	Y	96	Very high	96.3	Very high	42 Å²	42	30.8 Å²	30.8	17%	0.165	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-37.7	178.6	-179.1	-111.8	0	0	0	112.7	A149 Y152 V351 V352 Q359 H388	A149-Y355 HydrophobicContact CB-CE2 4.29Å; Y152-Y355 AromaticContact CD1-CD1 3.44Å; Y152-Y355 HydrophobicContact CD1-CD1 3.44Å; Y152-Y355 VanDerWaalsContact CD1-CD1 3.44Å; Y152-Y355 AromaticContact CD1-CD2 3.77Å; Y152-Y355 HydrophobicContact CD1-CD2 3.77Å; Y152-Y355 AromaticContact CD1-CE1 3.38Å; Y152-Y355 HydrophobicContact CD1-CE1 3.38Å; Y152-Y355 AromaticContact CD1-CE2 3.72Å; Y152-Y355 HydrophobicContact CD1-CE2 3.72Å; Y152-Y355 AromaticContact CD1-CG 3.64Å; Y152-Y355 HydrophobicContact CD1-CG 3.64Å; Y152-Y355 AromaticContact CD1-CZ 3.52Å; Y152-Y355 AromaticContact CD2-CD1 4Å; Y152-Y355 HydrophobicContact CD2-CD1 4Å; Y152-Y355 HydrophobicContact CD2-CG 4.15Å; Y152-Y355 AromaticContact CE1-CD1 3.55Å; Y152-Y355 HydrophobicContact CE1-CD1 3.55Å; Y152-Y355 AromaticContact CE1-CE1 3.21Å; Y152-Y355 HydrophobicContact CE1-CE1 3.21Å; Y152-Y355 HydrophobicContact CE1-CE2 4.33Å; Y152-Y355 HydrophobicContact CE1-CG 4.24Å; Y152-Y355 AromaticContact CE1-CZ 3.66Å; Y152-Y355 HydrophobicContact CE2-CD1 4.12Å; Y152-Y355 AromaticContact CG-CD1 3.68Å; Y152-Y355 HydrophobicContact CG-CD1 3.68Å; Y152-Y355 AromaticContact CG-CD2 3.96Å; Y152-Y355 HydrophobicContact CG-CD2 3.96Å; Y152-Y355 HydrophobicContact CG-CE1 4.12Å; Y152-Y355 HydrophobicContact CG-CE2 4.38Å; Y152-Y355 AromaticContact CG-CG 3.59Å; Y152-Y355 HydrophobicContact CG-CG 3.59Å; Y152-Y355 AromaticContact CZ-CD1 3.92Å; Y152-Y355 AromaticContact CZ-CE1 3.88Å; V351-Y355 WeakPolarHBondContact O-CB 3.39Å; V351-Y355 PolarHBondContact O-N 3.06Å; V352-Y355 PolarHBondContact O-N 3.46Å; Y355-Q359 VanDerWaalsContact CD1-NE2 3.27Å; Y355-Q359 VanDerWaalsContact O-CG 3.27Å; Y355-Q359 WeakPolarHBondContact O-CG 3.38Å; Y355-Q359 PolarHBondContact O-N 2.92Å; Y355-Q359 PolarHBondContact O-NE2 2.76Å; Y355-H388 HydrophobicContact CD1-CB 4.34Å
356	M	98.4	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.3	-40.3	173.3	-67.7	-169.6	-65	0	0	112.3	L336 Y339 L340 V348 V352 L353 L354 I360 H388 V390	L336-M356 HydrophobicContact CD1-CE 4.13Å; L336-M356 HydrophobicContact CD1-SD 3.62Å; Y339-M356 HydrophobicContact CE1-SD 4.36Å; L340-M356 HydrophobicContact CD2-CE 4.01Å; V348-M356 HydrophobicContact CG1-CE 3.72Å; V352-M356 HydrophobicContact CG1-CE 4.28Å; V352-M356 WeakPolarHBondContact O-CG 3.24Å; V352-M356 PolarHBondContact O-N 2.63Å; L353-M356 HydrophobicContact CD2-CE 3.84Å; L353-M356 PolarHBondContact O-N 3.07Å; L354-M356 VanDerWaalsContact C-N 3.28Å; L354-M356 PolarHBondContact O-N 2.9Å; M356-I360 WeakPolarHBondContact O-CD1 3.47Å; M356-I360 WeakPolarHBondContact O-CG1 3.47Å; M356-I360 PolarHBondContact O-N 2.99Å; M356-H388 HydrophobicContact CG-CB 4.48Å; M356-V390 HydrophobicContact CB-CG2 3.86Å; M356-V390 HydrophobicContact CG-CG2 3.57Å; M356-V390 HydrophobicContact SD-CG2 3.95Å
357	A	98.4	Very high	96.5	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-65.2	-44.4	176.7	0	0	0	0	0	112.9	L353 L354 I360 S361 L442 I445 F506	L353-A357 WeakPolarHBondContact O-CB 3.44Å; L353-A357 PolarHBondContact O-N 2.89Å; L354-A357 PolarHBondContact O-N 2.82Å; L354-A357 VanDerWaalsContact O-N 3.09Å; A357-I360 PolarHBondContact O-N 3.28Å; A357-S361 PolarHBondContact O-N 3.41Å; A357-L442 HydrophobicContact CB-CD2 3.74Å; A357-I445 HydrophobicContact CB-CD1 4.22Å; A357-F506 HydrophobicContact CB-CZ 4.3Å
358	T	97.6	Very high	96.7	Very high	10 Å²	10	16 Å²	16	6%	0.061	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-49	177.3	-58.1	0	0	0	0	111	L354 I360 S361 S362 E507	L354-T358 PolarHBondContact O-N 2.92Å; L354-T358 PolarHBondContact O-OG1 3.19Å; L354-T358 VanDerWaalsContact O-OG1 3.14Å; T358-I360 VanDerWaalsContact C-N 3.28Å; T358-I360 PolarHBondContact O-N 3.09Å; T358-S361 WeakPolarHBondContact CA-OG 3.48Å; T358-S361 PolarHBondContact O-N 3.48Å; T358-S361 PolarHBondContact O-OG 3.17Å; T358-S362 PolarHBondContact O-N 3.33Å; T358-E507 HydrophobicContact CG2-CG 4.32Å; T358-E507 WeakPolarHBondContact CG2-OE1 3.41Å
359	Q	98.1	Very high	96.6	Very high	11 Å²	11	24.1 Å²	24.1	5%	0.051	12%	0.117	C	C	.	.	H	α-helix	trans	-53.2	-42.3	176.5	-78.9	177.3	91.9	0	0	113.1	N310 Y355 S362 A363 H388 V390	N310-Q359 VanDerWaalsContact CB-O 3.31Å; N310-Q359 WeakPolarHBondContact CB-O 3.48Å; N310-Q359 WeakPolarHBondContact ND2-CB 3.48Å; N310-Q359 WeakPolarHBondContact ND2-CG 3.37Å; N310-Q359 PolarHBondContact ND2-OE1 3.25Å; Y355-Q359 VanDerWaalsContact CD1-NE2 3.27Å; Y355-Q359 VanDerWaalsContact O-CG 3.27Å; Y355-Q359 WeakPolarHBondContact O-CG 3.38Å; Y355-Q359 PolarHBondContact O-N 2.92Å; Y355-Q359 PolarHBondContact O-NE2 2.76Å; Q359-S362 PolarHBondContact O-N 2.79Å; Q359-A363 PolarHBondContact O-N 2.93Å; Q359-H388 PolarHBondContact NE2-O 2.8Å; Q359-V390 HydrophobicContact CB-CB 4.47Å
360	I	98.6	Very high	96.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-71.3	-39.9	178.3	-59	160.8	0	0	0	110.9	L336 M356 A357 T358 S362 A363 M364 L377 C382 V390 V392 F438 L441 I445	L336-I360 HydrophobicContact CD2-CD1 3.73Å; M356-I360 WeakPolarHBondContact O-CD1 3.47Å; M356-I360 WeakPolarHBondContact O-CG1 3.47Å; M356-I360 PolarHBondContact O-N 2.99Å; A357-I360 PolarHBondContact O-N 3.28Å; T358-I360 VanDerWaalsContact C-N 3.28Å; T358-I360 PolarHBondContact O-N 3.09Å; I360-S362 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 3.43Å; I360-A363 WeakPolarHBondContact O-CB 3.49Å; I360-A363 PolarHBondContact O-N 2.91Å; I360-M364 WeakPolarHBondContact O-CG 3.44Å; I360-M364 PolarHBondContact O-N 2.85Å; I360-L377 HydrophobicContact CG2-CD1 4.32Å; I360-C382 HydrophobicContact CD1-CB 4.34Å; I360-V390 HydrophobicContact CD1-CG1 3.92Å; I360-V390 HydrophobicContact CG1-CB 4.45Å; I360-V390 HydrophobicContact CG1-CG1 3.69Å; I360-V392 HydrophobicContact CB-CG2 4.42Å; I360-V392 HydrophobicContact CG1-CG2 4.42Å; I360-V392 HydrophobicContact CG2-CG2 3.72Å; I360-F438 HydrophobicContact CB-CE2 4.15Å; I360-F438 HydrophobicContact CG2-CD2 4.13Å; I360-F438 HydrophobicContact CG2-CE2 3.87Å; I360-L441 HydrophobicContact CB-CD2 4.27Å; I360-L441 HydrophobicContact CD1-CD1 4.46Å; I360-L441 HydrophobicContact CD1-CD2 3.88Å; I360-L441 HydrophobicContact CG2-CD2 3.57Å; I360-I445 HydrophobicContact CD1-CD1 4Å
361	S	98.4	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-36.6	174.6	65.1	0	0	0	0	112.7	A357 T358 M364 E365 H503	A357-S361 PolarHBondContact O-N 3.41Å; T358-S361 WeakPolarHBondContact CA-OG 3.48Å; T358-S361 PolarHBondContact O-N 3.48Å; T358-S361 PolarHBondContact O-OG 3.17Å; S361-M364 PolarHBondContact O-N 3.31Å; S361-E365 PolarHBondContact O-N 2.85Å; S361-H503 PolarHBondContact OG-CD2 2.94Å
362	S	97.8	Very high	96.1	Very high	25 Å²	25	29.9 Å²	29.9	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-44.5	174.2	-168	0	0	0	0	111.8	H308 T358 Q359 I360 M364 E365 Y366	H308-S362 PolarHBondContact CE1-OG 2.79Å; T358-S362 PolarHBondContact O-N 3.33Å; Q359-S362 PolarHBondContact O-N 2.79Å; I360-S362 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 3.43Å; S362-M364 VanDerWaalsContact C-N 3.27Å; S362-M364 PolarHBondContact O-N 3.4Å; S362-E365 PolarHBondContact O-N 3.01Å; S362-Y366 PolarHBondContact O-N 3.17Å; S362-Y366 VanDerWaalsContact O-N 3.09Å
363	A	97.3	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.6	-39.2	173.3	0	0	0	0	0	112.7	N310 L311 Q359 I360 L367 V392	N310-A363 HydrophobicContact CB-CB 3.83Å; N310-A363 WeakPolarHBondContact O-CB 3.18Å; L311-A363 HydrophobicContact CD2-CB 3.82Å; L311-A363 HydrophobicContact CG-CB 4.06Å; Q359-A363 PolarHBondContact O-N 2.93Å; I360-A363 WeakPolarHBondContact O-CB 3.49Å; I360-A363 PolarHBondContact O-N 2.91Å; A363-L367 PolarHBondContact O-N 3.22Å; A363-V392 HydrophobicContact CB-CG2 3.81Å
364	M	97.9	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-79.3	-31.3	179.6	-66	-56.3	-52.5	0	0	113.3	I360 S361 S362 Y366 L367 E368 H374 L377 I431 D434 F499	I360-M364 WeakPolarHBondContact O-CG 3.44Å; I360-M364 PolarHBondContact O-N 2.85Å; S361-M364 PolarHBondContact O-N 3.31Å; S362-M364 VanDerWaalsContact C-N 3.27Å; S362-M364 PolarHBondContact O-N 3.4Å; M364-Y366 VanDerWaalsContact C-N 3.3Å; M364-Y366 PolarHBondContact O-N 2.94Å; M364-L367 HydrophobicContact CE-CD1 4.16Å; M364-L367 PolarHBondContact O-N 3.49Å; M364-L367 HydrophobicContact SD-CD1 3.87Å; M364-E368 WeakPolarHBondContact O-CB 3.31Å; M364-E368 PolarHBondContact O-N 3.44Å; M364-H374 HydrophobicContact CE-CB 4.07Å; M364-H374 HydrophobicContact SD-CB 4.49Å; M364-L377 HydrophobicContact CE-CD2 4.09Å; M364-L377 HydrophobicContact CG-CD2 3.89Å; M364-L377 HydrophobicContact SD-CD1 4.01Å; M364-L377 HydrophobicContact SD-CD2 3.82Å; M364-L377 HydrophobicContact SD-CG 4.49Å; M364-I431 HydrophobicContact CE-CD1 4.35Å; M364-D434 HydrophobicContact CE-CB 3.9Å; M364-F499 HydrophobicContact CB-CB 4.23Å; M364-F499 HydrophobicContact CB-CD1 3.31Å; M364-F499 HydrophobicContact CB-CD2 3.77Å; M364-F499 HydrophobicContact CB-CE1 3.39Å; M364-F499 HydrophobicContact CB-CE2 3.84Å; M364-F499 HydrophobicContact CB-CG 3.5Å; M364-F499 VanDerWaalsContact CB-CG 3.5Å; M364-F499 HydrophobicContact CB-CZ 3.65Å; M364-F499 HydrophobicContact CE-CD2 4.42Å; M364-F499 HydrophobicContact CE-CE2 3.68Å; M364-F499 HydrophobicContact CE-CZ 3.79Å; M364-F499 HydrophobicContact CG-CD1 4.21Å; M364-F499 HydrophobicContact CG-CE1 3.79Å; M364-F499 HydrophobicContact CG-CE2 4.42Å; M364-F499 HydrophobicContact CG-CZ 3.89Å
365	E	97.6	Very high	95.4	Very high	56 Å²	56	29.7 Å²	29.7	26%	0.262	14%	0.138	S	C	.	.	H	α-helix	trans	-60.6	-42.2	169.3	-176.9	-172.5	157.3	0	0	110.5	S361 S362 L367 E368 K369 F499 A500 H503	S361-E365 PolarHBondContact O-N 2.85Å; S362-E365 PolarHBondContact O-N 3.01Å; E365-L367 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 3.09Å; E365-E368 PolarHBondContact O-N 3.39Å; E365-K369 VanDerWaalsContact O-CB 3.3Å; E365-K369 WeakPolarHBondContact O-CB 3.42Å; E365-K369 PolarHBondContact O-N 3.28Å; E365-F499 HydrophobicContact CB-CB 4.15Å; E365-A500 HydrophobicContact CG-CB 3.99Å; E365-H503 IonicContact OE2-CG 2.76Å; E365-H503 IonicContact OE2-ND1 3.61Å; E365-H503 PolarHBondContact OE2-ND1 3.45Å
366	Y	96.1	Very high	95.3	Very high	41 Å²	41	28.9 Å²	28.9	16%	0.161	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-43.7	174.5	-179.6	-85.3	0	0	0	112.3	I306 K307 H308 L311 S362 M364 K369 K370	I306-Y366 HydrophobicContact CG2-CE1 4.42Å; K307-Y366 PolarHBondContact N-OH 3.14Å; K307-Y366 WeakPolarHBondContact O-CE2 3.39Å; K307-Y366 PolarHBondContact O-OH 3.36Å; K307-Y366 VanDerWaalsContact O-OH 3.07Å; H308-Y366 HydrophobicContact CB-CD1 4.14Å; H308-Y366 HydrophobicContact CB-CD2 4.05Å; H308-Y366 HydrophobicContact CB-CE1 4.41Å; H308-Y366 HydrophobicContact CB-CE2 4.3Å; H308-Y366 HydrophobicContact CB-CG 3.94Å; H308-Y366 AromaticContact CD2-CD2 3.47Å; H308-Y366 VanDerWaalsContact CD2-CD2 3.47Å; H308-Y366 WeakPolarHBondContact CD2-CD2 3.3Å; H308-Y366 AromaticContact CD2-CG 3.72Å; H308-Y366 AromaticContact CG-CG 3.9Å; L311-Y366 HydrophobicContact CD1-CD1 3.47Å; L311-Y366 VanDerWaalsContact CD1-CD1 3.47Å; L311-Y366 HydrophobicContact CD1-CE1 4.01Å; L311-Y366 HydrophobicContact CD1-CG 4.24Å; S362-Y366 PolarHBondContact O-N 3.17Å; S362-Y366 VanDerWaalsContact O-N 3.09Å; M364-Y366 VanDerWaalsContact C-N 3.3Å; M364-Y366 PolarHBondContact O-N 2.94Å; Y366-K369 PolarHBondContact O-N 2.83Å; Y366-K370 HydrophobicContact CD1-CG 4.19Å; Y366-K370 HydrophobicContact CE1-CG 3.78Å; Y366-K370 WeakPolarHBondContact O-CB 3.44Å; Y366-K370 WeakPolarHBondContact O-CG 3.47Å; Y366-K370 PolarHBondContact O-N 3.3Å; Y366-K370 VanDerWaalsContact OH-CE 3.32Å; Y366-K370 WeakPolarHBondContact OH-CE 3.43Å; Y366-K370 PolarHBondContact OH-NZ 2.97Å
367	L	93.9	Very high	95.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-42.6	177.6	-67.4	177.7	0	0	0	111.9	I306 L311 A363 M364 E365 K369 K370 N371 F372 F395	I306-L367 HydrophobicContact CD1-CD2 3.98Å; I306-L367 HydrophobicContact CG1-CD2 4.32Å; L311-L367 HydrophobicContact CD1-CD2 3.89Å; L311-L367 HydrophobicContact CD1-CG 4.04Å; L311-L367 HydrophobicContact CD2-CD1 4.08Å; L311-L367 HydrophobicContact CD2-CG 4.32Å; A363-L367 PolarHBondContact O-N 3.22Å; M364-L367 HydrophobicContact CE-CD1 4.16Å; M364-L367 PolarHBondContact O-N 3.49Å; M364-L367 HydrophobicContact SD-CD1 3.87Å; E365-L367 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 3.09Å; L367-K369 PolarHBondContact O-N 3.29Å; L367-K370 CarbonylContact O-C 3.58Å; L367-K370 PolarHBondContact O-N 3.25Å; L367-K370 VanDerWaalsContact O-N 3.15Å; L367-N371 PolarHBondContact O-N 3.49Å; L367-F372 HydrophobicContact CB-CB 4.2Å; L367-F372 HydrophobicContact CD2-CB 3.9Å; L367-F372 HydrophobicContact CD2-CG 4.47Å; L367-F372 PolarHBondContact O-N 2.8Å; L367-F395 HydrophobicContact CD1-CE1 4.44Å
368	E	94.7	Very high	95.1	Very high	38 Å²	38	28.7 Å²	28.7	18%	0.178	14%	0.135	C	C	.	.	H	α-helix	trans	-54.8	-51.4	172.8	-179.8	168.7	-114.6	0	0	110.9	M364 E365 K370 N371 I431 S498 F499 A500	M364-E368 WeakPolarHBondContact O-CB 3.31Å; M364-E368 PolarHBondContact O-N 3.44Å; E365-E368 PolarHBondContact O-N 3.39Å; E368-K370 VanDerWaalsContact C-N 3.26Å; E368-K370 PolarHBondContact O-N 3.04Å; E368-N371 PolarHBondContact O-N 3.41Å; E368-I431 HydrophobicContact CB-CD1 3.92Å; E368-I431 HydrophobicContact CB-CG1 3.8Å; E368-I431 HydrophobicContact CG-CG1 3.87Å; E368-S498 WeakPolarHBondContact OE1-CA 3.42Å; E368-S498 WeakPolarHBondContact OE1-CB 3.44Å; E368-S498 WeakPolarHBondContact OE2-CB 3.44Å; E368-F499 HydrophobicContact CB-CB 4.44Å; E368-F499 HydrophobicContact CB-CD2 4.46Å; E368-F499 PolarHBondContact OE1-N 2.82Å; E368-F499 WeakPolarHBondContact OE2-CA 3.5Å; E368-F499 WeakPolarHBondContact OE2-CB 3.41Å; E368-F499 PolarHBondContact OE2-N 2.98Å; E368-A500 PolarHBondContact OE2-N 2.89Å; E368-A500 VanDerWaalsContact OE2-N 3.16Å
369	K	94.3	Very high	95.1	Very high	170 Å²	170	28.2 Å²	28.2	74%	0.739	13%	0.132	S	C	*	.	H	α-helix	trans	-63.5	-26.9	178	-173.9	173.5	-176.5	171.9	0	113.9	E365 Y366 L367	E365-K369 VanDerWaalsContact O-CB 3.3Å; E365-K369 WeakPolarHBondContact O-CB 3.42Å; E365-K369 PolarHBondContact O-N 3.28Å; Y366-K369 PolarHBondContact O-N 2.83Å; L367-K369 PolarHBondContact O-N 3.29Å
370	K	91.1	Very high	95	Very high	82 Å²	82	30.8 Å²	30.8	36%	0.357	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2	174	-74.5	-81.2	-167.2	127	0	113.4	E305 Y366 L367 E368 F372	E305-K370 PolarHBondContact O-NZ 2.85Å; Y366-K370 HydrophobicContact CD1-CG 4.19Å; Y366-K370 HydrophobicContact CE1-CG 3.78Å; Y366-K370 WeakPolarHBondContact O-CB 3.44Å; Y366-K370 WeakPolarHBondContact O-CG 3.47Å; Y366-K370 PolarHBondContact O-N 3.3Å; Y366-K370 VanDerWaalsContact OH-CE 3.32Å; Y366-K370 WeakPolarHBondContact OH-CE 3.43Å; Y366-K370 PolarHBondContact OH-NZ 2.97Å; L367-K370 CarbonylContact O-C 3.58Å; L367-K370 PolarHBondContact O-N 3.25Å; L367-K370 VanDerWaalsContact O-N 3.15Å; E368-K370 VanDerWaalsContact C-N 3.26Å; E368-K370 PolarHBondContact O-N 3.04Å; K370-F372 VanDerWaalsContact C-N 3.3Å; K370-F372 HydrophobicContact CB-CD2 3.8Å; K370-F372 HydrophobicContact CB-CE2 4.38Å; K370-F372 PolarHBondContact O-N 3.18Å
371	N	90.4	Very high	94.8	Very high	102 Å²	102	31.7 Å²	31.7	55%	0.545	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	34.1	-174.7	-56.7	-76	0	0	0	114	L367 E368 L400 M401	L367-N371 PolarHBondContact O-N 3.49Å; E368-N371 PolarHBondContact O-N 3.41Å; N371-L400 HydrophobicContact CB-CD1 4.41Å; N371-M401 HydrophobicContact CB-CB 4.38Å; N371-M401 WeakPolarHBondContact O-CB 3.39Å; N371-M401 WeakPolarHBondContact O-CG 3.43Å; N371-M401 PolarHBondContact O-N 3.29Å
372	F	90.8	Very high	94.8	Very high	16 Å²	16	31.7 Å²	31.7	7%	0.07	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.6	171.6	-82.5	-80.1	0	0	0	111.7	V302 L367 K370 R399 L400	V302-F372 HydrophobicContact CB-CE1 4.3Å; V302-F372 HydrophobicContact CG1-CD1 4.16Å; V302-F372 HydrophobicContact CG1-CE1 3.64Å; V302-F372 HydrophobicContact CG1-CZ 4.07Å; V302-F372 HydrophobicContact CG2-CE1 3.75Å; V302-F372 HydrophobicContact CG2-CZ 4.26Å; L367-F372 HydrophobicContact CB-CB 4.2Å; L367-F372 HydrophobicContact CD2-CB 3.9Å; L367-F372 HydrophobicContact CD2-CG 4.47Å; L367-F372 PolarHBondContact O-N 2.8Å; K370-F372 VanDerWaalsContact C-N 3.3Å; K370-F372 HydrophobicContact CB-CD2 3.8Å; K370-F372 HydrophobicContact CB-CE2 4.38Å; K370-F372 PolarHBondContact O-N 3.18Å; F372-R399 WeakPolarHBondContact CA-O 3.47Å; F372-R399 WeakPolarHBondContact CD1-O 3.17Å; F372-L400 HydrophobicContact CD1-CB 4.29Å; F372-L400 HydrophobicContact CD2-CD1 4.25Å; F372-L400 HydrophobicContact CE1-CB 3.78Å; F372-L400 HydrophobicContact CE1-CD1 4.3Å; F372-L400 HydrophobicContact CE2-CD1 3.93Å; F372-L400 HydrophobicContact CZ-CB 4.11Å; F372-L400 HydrophobicContact CZ-CD1 3.96Å
373	I	91.9	Very high	94.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.6	166	58	168.6	0	0	0	110.3	R375 S398 R399 M401 Y406 F429 S430 I431 D434	I373-R375 HydrophobicContact CB-CG 4.32Å; I373-R375 HydrophobicContact CD1-CG 3.7Å; I373-R375 HydrophobicContact CG1-CG 3.98Å; I373-S398 WeakPolarHBondContact O-CA 3.23Å; I373-S398 WeakPolarHBondContact O-CB 3.39Å; I373-R399 HydrophobicContact CG1-CB 4.28Å; I373-R399 PolarHBondContact N-O 3.38Å; I373-R399 PolarHBondContact O-N 3.33Å; I373-R399 VanDerWaalsContact O-N 3.12Å; I373-M401 HydrophobicContact CB-SD 4.34Å; I373-M401 HydrophobicContact CD1-SD 3.46Å; I373-M401 WeakPolarHBondContact CD1-SD 3.36Å; I373-M401 HydrophobicContact CG1-CG 4.29Å; I373-M401 HydrophobicContact CG1-SD 3.66Å; I373-M401 HydrophobicContact CG2-CE 4.46Å; I373-M401 HydrophobicContact CG2-CG 3.73Å; I373-M401 HydrophobicContact CG2-SD 3.73Å; I373-Y406 HydrophobicContact CD1-CD1 4.34Å; I373-Y406 HydrophobicContact CD1-CG 4.33Å; I373-F429 HydrophobicContact CD1-CB 3.88Å; I373-S430 VanDerWaalsContact CG2-C 3.44Å; I373-I431 HydrophobicContact CG2-CB 4.4Å; I373-I431 VanDerWaalsContact CG2-N 3.34Å; I373-D434 VanDerWaalsContact CA-OD2 3.31Å; I373-D434 WeakPolarHBondContact CA-OD2 3.5Å; I373-D434 WeakPolarHBondContact CB-OD2 3.37Å
374	H	93.2	Very high	94.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.149	C	C	.	.			trans	-91	-41.2	-175.1	-163.7	-81	0	0	0	112.5	M364 D376 L377 V392 A393 D434	M364-H374 HydrophobicContact CE-CB 4.07Å; M364-H374 HydrophobicContact SD-CB 4.49Å; H374-D376 PolarHBondContact CE1-O 3.5Å; H374-D376 VanDerWaalsContact ND1-C 3.35Å; H374-D376 PolarHBondContact ND1-O 3.32Å; H374-D376 PolarHBondContact O-N 3.43Å; H374-L377 PolarHBondContact ND1-N 2.96Å; H374-V392 WeakPolarHBondContact NE2-CG1 3.41Å; H374-A393 PolarHBondContact CE1-O 3.09Å; H374-A393 VanDerWaalsContact CE1-O 3.29Å; H374-A393 PolarHBondContact NE2-O 3.18Å; H374-D434 PolarHBondContact N-OD2 3.45Å
375	R	92	Very high	94.7	Very high	24 Å²	24	32.9 Å²	32.9	9%	0.091	15%	0.151	C	C	.	.	S	Bend	trans	65	-20.7	176.3	-57.1	169.7	57.4	-136.6	-1.8	117	I373 L397 F429 D434	I373-R375 HydrophobicContact CB-CG 4.32Å; I373-R375 HydrophobicContact CD1-CG 3.7Å; I373-R375 HydrophobicContact CG1-CG 3.98Å; R375-L397 HydrophobicContact CB-CB 4.44Å; R375-L397 WeakPolarHBondContact CD-O 3.46Å; R375-L397 PolarHBondContact NH1-O 2.7Å; R375-F429 HydrophobicContact CB-CD1 4.12Å; R375-F429 HydrophobicContact CB-CE1 4.41Å; R375-F429 HydrophobicContact CG-CB 4.15Å; R375-F429 HydrophobicContact CG-CD1 3.86Å; R375-F429 HydrophobicContact CG-CG 4.11Å; R375-D434 WeakPolarHBondContact CA-OD1 3.46Å; R375-D434 PolarHBondContact N-OD1 2.7Å
376	D	91.8	Very high	94.4	Very high	24 Å²	24	36.4 Å²	36.4	13%	0.128	17%	0.168	C	C	.	.			trans	-128.2	53.8	170.9	-165.2	23.2	0	0	0	113.1	H374 A378 R380 N381 L397 P415	H374-D376 PolarHBondContact CE1-O 3.5Å; H374-D376 VanDerWaalsContact ND1-C 3.35Å; H374-D376 PolarHBondContact ND1-O 3.32Å; H374-D376 PolarHBondContact O-N 3.43Å; D376-A378 PolarHBondContact O-N 3.19Å; D376-R380 IonicContact OD1-CZ 3.28Å; D376-R380 IonicContact OD1-NE 2.71Å; D376-R380 IonicContact OD1-NH2 2.76Å; D376-R380 PolarHBondContact OD1-NH2 3.41Å; D376-R380 IonicContact OD2-NE 3.24Å; D376-R380 IonicContact OD2-NH2 3.46Å; D376-N381 PolarHBondContact O-ND2 2.87Å; D376-N381 PolarHBondContact OD2-ND2 3.42Å; D376-L397 HydrophobicContact CB-CD1 3.86Å; D376-P415 WeakPolarHBondContact OD1-CG 3.42Å
377	L	96.9	Very high	94.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.173	C	C	.	.			trans	-79.8	115.8	176.4	-177.5	63.3	0	0	0	111	I360 M364 H374 V392 A437 F438 F499	I360-L377 HydrophobicContact CG2-CD1 4.32Å; M364-L377 HydrophobicContact CE-CD2 4.09Å; M364-L377 HydrophobicContact CG-CD2 3.89Å; M364-L377 HydrophobicContact SD-CD1 4.01Å; M364-L377 HydrophobicContact SD-CD2 3.82Å; M364-L377 HydrophobicContact SD-CG 4.49Å; H374-L377 PolarHBondContact ND1-N 2.96Å; L377-V392 HydrophobicContact CD1-CG1 3.85Å; L377-V392 HydrophobicContact CD1-CG2 4.49Å; L377-A437 HydrophobicContact CB-CB 4.11Å; L377-F438 HydrophobicContact CD2-CB 3.8Å; L377-F438 HydrophobicContact CD2-CD2 4.19Å; L377-F499 HydrophobicContact CD2-CZ 4.33Å
378	A	97.2	Very high	94.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-162.7	164	179.8	0	0	0	0	0	110.8	D376 R380 N381 C382 W418	D376-A378 PolarHBondContact O-N 3.19Å; A378-R380 HydrophobicContact CB-CG 3.81Å; A378-R380 PolarHBondContact O-N 3.34Å; A378-R380 VanDerWaalsContact O-N 3.17Å; A378-N381 PolarHBondContact O-N 2.92Å; A378-C382 PolarHBondContact O-N 3.17Å; A378-W418 HydrophobicContact CB-CD2 4.25Å; A378-W418 HydrophobicContact CB-CG 4.11Å
379	A	98	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.8	-176	0	0	0	0	0	113.4	L336 L337 N381 C382 L441 E444	L336-A379 WeakPolarHBondContact CB-O 3.36Å; L336-A379 PolarHBondContact N-O 3.17Å; L337-A379 HydrophobicContact CB-CB 3.75Å; L337-A379 HydrophobicContact CD1-CB 4.21Å; L337-A379 PolarHBondContact N-O 2.92Å; A379-N381 PolarHBondContact O-N 3.26Å; A379-C382 PolarHBondContact O-N 3.41Å; A379-L441 HydrophobicContact CB-CD1 3.88Å; A379-L441 VanDerWaalsContact N-CD1 3.28Å; A379-E444 HydrophobicContact CB-CB 4.14Å; A379-E444 PolarHBondContact N-OE2 3.33Å
380	R	95.2	Very high	94.5	Very high	65 Å²	65	29.5 Å²	29.5	25%	0.245	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-60.4	-25.7	171.6	53.1	161.4	178.2	-68.4	-7.3	114.3	N335 L337 D376 A378	N335-R380 WeakPolarHBondContact CB-O 3.29Å; L337-R380 HydrophobicContact CD2-CB 4.24Å; D376-R380 IonicContact OD1-CZ 3.28Å; D376-R380 IonicContact OD1-NE 2.71Å; D376-R380 IonicContact OD1-NH2 2.76Å; D376-R380 PolarHBondContact OD1-NH2 3.41Å; D376-R380 IonicContact OD2-NE 3.24Å; D376-R380 IonicContact OD2-NH2 3.46Å; A378-R380 HydrophobicContact CB-CG 3.81Å; A378-R380 PolarHBondContact O-N 3.34Å; A378-R380 VanDerWaalsContact O-N 3.17Å
381	N	95.4	Very high	94.9	Very high	19 Å²	19	25.7 Å²	25.7	10%	0.102	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-110.2	11.3	-174.7	-62.2	-4.9	0	0	0	111.4	D376 A378 A379 A393	D376-N381 PolarHBondContact O-ND2 2.87Å; D376-N381 PolarHBondContact OD2-ND2 3.42Å; A378-N381 PolarHBondContact O-N 2.92Å; A379-N381 PolarHBondContact O-N 3.26Å; N381-A393 WeakPolarHBondContact O-CB 3.21Å; N381-A393 PolarHBondContact O-N 3.34Å
382	C	97.8	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.8	163.9	-63.3	0	0	0	0	107.2	N335 L336 I360 A378 A379 V390 K391	N335-C382 CarbonylContact C-O 3.57Å; N335-C382 WeakPolarHBondContact CA-O 3.43Å; L336-C382 HydrophobicContact CB-CB 3.87Å; L336-C382 HydrophobicContact CD2-CB 3.94Å; L336-C382 PolarHBondContact N-O 3.36Å; I360-C382 HydrophobicContact CD1-CB 4.34Å; A378-C382 PolarHBondContact O-N 3.17Å; A379-C382 PolarHBondContact O-N 3.41Å; C382-V390 HydrophobicContact CB-CG1 3.97Å; C382-K391 CarbonylContact C-O 3.44Å
383	L	97.1	Very high	95.2	Very high	46 Å²	46	20.6 Å²	20.6	24%	0.241	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.1	180	-58.5	-175	0	0	0	111	V312 M331 G334 N335 V390 K391 A393	V312-L383 HydrophobicContact CG2-CD1 4.07Å; M331-L383 HydrophobicContact CB-CB 3.68Å; M331-L383 HydrophobicContact CB-CD1 4.11Å; M331-L383 HydrophobicContact CE-CB 4.13Å; M331-L383 VanDerWaalsContact CE-O 3.29Å; M331-L383 WeakPolarHBondContact CE-O 3.48Å; M331-L383 HydrophobicContact CG-CB 3.65Å; M331-L383 HydrophobicContact CG-CD1 3.89Å; M331-L383 HydrophobicContact CG-CG 4.44Å; G334-L383 CarbonylContact O-C 3.53Å; G334-L383 VanDerWaalsContact O-CA 3.24Å; G334-L383 WeakPolarHBondContact O-CA 3.29Å; N335-L383 HydrophobicContact CB-CD2 3.98Å; L383-V390 WeakPolarHBondContact O-CA 3.35Å; L383-K391 PolarHBondContact N-O 3.09Å; L383-K391 PolarHBondContact O-N 3.5Å; L383-A393 HydrophobicContact CD1-CB 4Å; L383-A393 HydrophobicContact CG-CB 3.92Å
384	V	97.6	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.9	-175.9	-173.4	0	0	0	0	110.1	M331 T332 H333 G334 L336 Y339 V390	M331-V384 CarbonylContact C-O 3.59Å; T332-V384 PolarHBondContact N-O 3.31Å; H333-V384 WeakPolarHBondContact CA-O 3.4Å; H333-V384 HydrophobicContact CB-CB 3.94Å; H333-V384 HydrophobicContact CB-CG1 3.95Å; H333-V384 WeakPolarHBondContact CB-O 3.31Å; H333-V384 PolarHBondContact N-O 3.29Å; G334-V384 PolarHBondContact O-N 3.48Å; L336-V384 HydrophobicContact CB-CG2 3.87Å; L336-V384 HydrophobicContact CD1-CG2 3.76Å; L336-V384 HydrophobicContact CG-CG2 4.44Å; Y339-V384 HydrophobicContact CD1-CG1 4.24Å; Y339-V384 HydrophobicContact CD1-CG2 4.13Å; Y339-V384 HydrophobicContact CD2-CG1 4.31Å; Y339-V384 HydrophobicContact CE1-CG1 4.27Å; Y339-V384 HydrophobicContact CE2-CG1 4.33Å; Y339-V384 HydrophobicContact CG-CB 4.38Å; Y339-V384 HydrophobicContact CG-CG1 4.27Å; Y339-V384 HydrophobicContact CG-CG2 4.11Å; V384-V390 HydrophobicContact CG2-CG2 4.45Å
385	G	94.9	Very high	93.7	Very high	4 Å²	4	23 Å²	23	4%	0.041	11%	0.114	C	C	.	.			trans	-112.4	-170.7	175.3	0	0	0	0	0	111.6	H333 L389	H333-G385 PolarHBondContact CD2-O 3.04Å; G385-L389 PolarHBondContact N-O 3.16Å
386	E	92.6	Very high	92.5	Very high	130 Å²	130	21.9 Å²	21.9	61%	0.607	11%	0.109	S	C	*	.	G	3₁₀ helix	trans	-57.2	147.7	-179.2	-61.7	-173.6	174.1	0	0	112.5	T332 H388 L389	T332-E386 HydrophobicContact CG2-CG 4.42Å; T332-E386 PolarHBondContact OG1-N 2.95Å; E386-H388 VanDerWaalsContact C-N 3.3Å; E386-H388 PolarHBondContact O-N 2.83Å; E386-L389 WeakPolarHBondContact O-CB 3.38Å; E386-L389 PolarHBondContact O-N 2.84Å
387	N	92.6	Very high	91.5	Very high	51 Å²	51	22.2 Å²	22.2	27%	0.273	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	49.4	45.9	179.8	-55.7	135.9	0	0	0	113.9	Y152 R233 N234 L389	Y152-N387 PolarHBondContact OH-O 2.9Å; R233-N387 VanDerWaalsContact CB-OD1 3.27Å; R233-N387 WeakPolarHBondContact CB-OD1 3.33Å; R233-N387 WeakPolarHBondContact CD-OD1 3.32Å; N234-N387 WeakPolarHBondContact OD1-CB 3.48Å; N234-N387 PolarHBondContact OD1-OD1 2.75Å; N387-L389 PolarHBondContact O-N 3.38Å; N387-L389 VanDerWaalsContact O-N 3.15Å
388	H	95.4	Very high	90.7	Very high	19 Å²	19	22.4 Å²	22.4	9%	0.088	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	56.8	26.7	176.1	-48	103.5	0	0	0	114.2	Y152 Y339 V352 Y355 M356 Q359 E386 V390	Y152-H388 HydrophobicContact CE2-CB 4.32Å; Y152-H388 AromaticContact CE2-ND1 3.52Å; Y152-H388 AromaticContact CZ-ND1 3.59Å; Y152-H388 PolarHBondContact OH-ND1 2.72Å; Y339-H388 PolarHBondContact OH-CD2 3.45Å; Y339-H388 PolarHBondContact OH-NE2 3.13Å; Y339-H388 VanDerWaalsContact OH-NE2 3.11Å; V352-H388 HydrophobicContact CG1-CB 3.94Å; V352-H388 VanDerWaalsContact CG1-CD2 3.45Å; V352-H388 WeakPolarHBondContact CG1-CD2 3.36Å; V352-H388 VanDerWaalsContact CG1-CG 3.45Å; Y355-H388 HydrophobicContact CD1-CB 4.34Å; M356-H388 HydrophobicContact CG-CB 4.48Å; Q359-H388 PolarHBondContact NE2-O 2.8Å; E386-H388 VanDerWaalsContact C-N 3.3Å; E386-H388 PolarHBondContact O-N 2.83Å; H388-V390 PolarHBondContact O-N 3.39Å
389	L	95.8	Very high	89.8	Confident	36 Å²	36	25.2 Å²	25.2	19%	0.188	12%	0.123	C	C	.	.			trans	-66.1	121	168.7	175.4	60.9	0	0	0	109.2	G385 E386 N387 K391	G385-L389 PolarHBondContact N-O 3.16Å; E386-L389 WeakPolarHBondContact O-CB 3.38Å; E386-L389 PolarHBondContact O-N 2.84Å; N387-L389 PolarHBondContact O-N 3.38Å; N387-L389 VanDerWaalsContact O-N 3.15Å; L389-K391 HydrophobicContact CG-CG 4.48Å
390	V	97.9	Very high	88.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.9	177.6	-176.5	0	0	0	0	110.7	N310 L336 M356 Q359 I360 C382 L383 V384 H388	N310-V390 WeakPolarHBondContact CB-O 3.12Å; N310-V390 PolarHBondContact ND2-O 2.81Å; L336-V390 HydrophobicContact CD2-CG1 4.42Å; M356-V390 HydrophobicContact CB-CG2 3.86Å; M356-V390 HydrophobicContact CG-CG2 3.57Å; M356-V390 HydrophobicContact SD-CG2 3.95Å; Q359-V390 HydrophobicContact CB-CB 4.47Å; I360-V390 HydrophobicContact CD1-CG1 3.92Å; I360-V390 HydrophobicContact CG1-CB 4.45Å; I360-V390 HydrophobicContact CG1-CG1 3.69Å; C382-V390 HydrophobicContact CB-CG1 3.97Å; L383-V390 WeakPolarHBondContact O-CA 3.35Å; V384-V390 HydrophobicContact CG2-CG2 4.45Å; H388-V390 PolarHBondContact O-N 3.39Å
391	K	97.6	Very high	88	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.6	175.4	-55.8	-166.9	178	-152.3	0	111.5	P309 N310 V312 E329 M331 C382 L383 L389	P309-K391 WeakPolarHBondContact O-CE 3.21Å; P309-K391 PolarHBondContact O-NZ 3.23Å; N310-K391 CarbonylContact O-C 3.49Å; N310-K391 VanDerWaalsContact O-CA 3.31Å; N310-K391 WeakPolarHBondContact O-CA 3.4Å; V312-K391 HydrophobicContact CG2-CB 3.67Å; E329-K391 WeakPolarHBondContact OE1-CD 3.31Å; E329-K391 WeakPolarHBondContact OE1-CE 3.43Å; E329-K391 IonicContact OE1-NZ 2.81Å; E329-K391 PolarHBondContact OE1-NZ 2.91Å; E329-K391 WeakPolarHBondContact OE2-CE 3.34Å; E329-K391 IonicContact OE2-NZ 3.94Å; E329-K391 PolarHBondContact OE2-NZ 2.73Å; M331-K391 HydrophobicContact CE-CB 3.91Å; M331-K391 HydrophobicContact CE-CD 4.03Å; M331-K391 HydrophobicContact CE-CG 3.65Å; M331-K391 HydrophobicContact SD-CD 3.96Å; M331-K391 HydrophobicContact SD-CG 4.26Å; C382-K391 CarbonylContact C-O 3.44Å; L383-K391 PolarHBondContact N-O 3.09Å; L383-K391 PolarHBondContact O-N 3.5Å; L389-K391 HydrophobicContact CG-CG 4.48Å
392	V	96.9	Very high	86.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143	175.1	-171.9	0	0	0	0	110.1	N310 L311 V312 I360 A363 H374 L377 F395	N310-V392 PolarHBondContact O-N 2.74Å; L311-V392 HydrophobicContact CD2-CB 3.94Å; V312-V392 PolarHBondContact N-O 3.06Å; I360-V392 HydrophobicContact CB-CG2 4.42Å; I360-V392 HydrophobicContact CG1-CG2 4.42Å; I360-V392 HydrophobicContact CG2-CG2 3.72Å; A363-V392 HydrophobicContact CB-CG2 3.81Å; H374-V392 WeakPolarHBondContact NE2-CG1 3.41Å; L377-V392 HydrophobicContact CD1-CG1 3.85Å; L377-V392 HydrophobicContact CD1-CG2 4.49Å; V392-F395 WeakPolarHBondContact O-CZ 3.38Å
393	A	91.8	Very high	85.6	Confident	11 Å²	11	36.8 Å²	36.8	9%	0.091	20%	0.204	C	C	.	.			trans	-144.6	174.4	-165.6	0	0	0	0	0	113.9	V312 H374 N381 L383	V312-A393 HydrophobicContact CB-CB 4.34Å; V312-A393 HydrophobicContact CG2-CB 3.68Å; H374-A393 PolarHBondContact CE1-O 3.09Å; H374-A393 VanDerWaalsContact CE1-O 3.29Å; H374-A393 PolarHBondContact NE2-O 3.18Å; N381-A393 WeakPolarHBondContact O-CB 3.21Å; N381-A393 PolarHBondContact O-N 3.34Å; L383-A393 HydrophobicContact CD1-CB 4Å; L383-A393 HydrophobicContact CG-CB 3.92Å
394	D	80.8	Confident	84.6	Confident	50 Å²	50	42 Å²	42	27%	0.267	23%	0.232	S	C	.	.			trans	61.7	66.8	-175.1	-157.1	17.2	0	0	0	114.9	K284 G396	K284-D394 IonicContact NZ-OD1 2.65Å; K284-D394 PolarHBondContact NZ-OD1 3.42Å; D394-G396 PolarHBondContact O-N 3.36Å; D394-G396 VanDerWaalsContact O-N 3.14Å
395	F	73.1	Confident	84	Confident	3 Å²	3	46 Å²	46	1%	0.013	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-74.3	8.1	177.7	-54.8	-77.9	0	0	0	114.3	E299 M303 I306 L311 L367 V392 L397 S398	E299-F395 HydrophobicContact CG-CB 4.35Å; M303-F395 HydrophobicContact CE-CD2 3.93Å; M303-F395 HydrophobicContact CE-CE2 4.02Å; M303-F395 HydrophobicContact CG-CB 4.44Å; M303-F395 HydrophobicContact CG-CD2 3.78Å; M303-F395 HydrophobicContact CG-CG 4.41Å; M303-F395 HydrophobicContact SD-CD2 4Å; I306-F395 HydrophobicContact CD1-CD1 3.83Å; I306-F395 HydrophobicContact CD1-CE1 3.82Å; I306-F395 HydrophobicContact CD1-CG 4.28Å; I306-F395 HydrophobicContact CD1-CZ 4.23Å; L311-F395 HydrophobicContact CB-CZ 4.2Å; L311-F395 HydrophobicContact CD2-CE1 4.01Å; L311-F395 HydrophobicContact CD2-CZ 3.83Å; L367-F395 HydrophobicContact CD1-CE1 4.44Å; V392-F395 WeakPolarHBondContact O-CZ 3.38Å; F395-L397 VanDerWaalsContact C-N 3.27Å; F395-L397 PolarHBondContact O-N 2.87Å; F395-S398 WeakPolarHBondContact CA-OG 3.32Å; F395-S398 VanDerWaalsContact O-CB 3.27Å; F395-S398 WeakPolarHBondContact O-CB 3.48Å; F395-S398 PolarHBondContact O-N 2.77Å
396	G	66.6	Low	83.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-57.9	-37.6	-179.1	0	0	0	0	0	113.3	E299 D394 R399	E299-G396 WeakPolarHBondContact OE2-CA 3.17Å; D394-G396 PolarHBondContact O-N 3.36Å; D394-G396 VanDerWaalsContact O-N 3.14Å; G396-R399 PolarHBondContact O-NH1 3.02Å
397	L	70.4	Confident	83.1	Confident	30 Å²	30	46.7 Å²	46.7	16%	0.157	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-82.4	-14.5	173.2	-79.9	170.6	0	0	0	114.2	Y266 R375 D376 F395 R399	Y266-L397 HydrophobicContact CE2-CD1 4.35Å; Y266-L397 HydrophobicContact CE2-CG 4.07Å; Y266-L397 VanDerWaalsContact OH-CD2 3.31Å; Y266-L397 WeakPolarHBondContact OH-CD2 3.5Å; Y266-L397 VanDerWaalsContact OH-CG 3.26Å; Y266-L397 WeakPolarHBondContact OH-CG 3.38Å; R375-L397 HydrophobicContact CB-CB 4.44Å; R375-L397 WeakPolarHBondContact CD-O 3.46Å; R375-L397 PolarHBondContact NH1-O 2.7Å; D376-L397 HydrophobicContact CB-CD1 3.86Å; F395-L397 VanDerWaalsContact C-N 3.27Å; F395-L397 PolarHBondContact O-N 2.87Å; L397-R399 PolarHBondContact O-NH1 2.63Å
398	S	79.3	Confident	82.7	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.035	25%	0.252	C	S	.	.			trans	-67.4	147.2	-172.9	-61.3	0	0	0	0	112.3	I373 F395	I373-S398 WeakPolarHBondContact O-CA 3.23Å; I373-S398 WeakPolarHBondContact O-CB 3.39Å; F395-S398 WeakPolarHBondContact CA-OG 3.32Å; F395-S398 VanDerWaalsContact O-CB 3.27Å; F395-S398 WeakPolarHBondContact O-CB 3.48Å; F395-S398 PolarHBondContact O-N 2.77Å
399	R	79.6	Confident	81.9	Confident	59 Å²	59	51 Å²	51	22%	0.223	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.6	-178.7	-61.1	-63.9	-179.9	-95.6	1.4	110.8	E295 F372 I373 G396 L397	E295-R399 IonicContact OE1-CZ 2.73Å; E295-R399 IonicContact OE1-NH1 2.75Å; E295-R399 IonicContact OE1-NH2 2.63Å; E295-R399 PolarHBondContact OE1-NH2 2.8Å; F372-R399 WeakPolarHBondContact CA-O 3.47Å; F372-R399 WeakPolarHBondContact CD1-O 3.17Å; I373-R399 HydrophobicContact CG1-CB 4.28Å; I373-R399 PolarHBondContact N-O 3.38Å; I373-R399 PolarHBondContact O-N 3.33Å; I373-R399 VanDerWaalsContact O-N 3.12Å; G396-R399 PolarHBondContact O-NH1 3.02Å; L397-R399 PolarHBondContact O-NH1 2.63Å
400	L	77.3	Confident	80.9	Confident	103 Å²	103	54 Å²	54	54%	0.539	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.4	166.9	-178.2	68.9	0	0	0	109	N371 F372	N371-L400 HydrophobicContact CB-CD1 4.41Å; F372-L400 HydrophobicContact CD1-CB 4.29Å; F372-L400 HydrophobicContact CD2-CD1 4.25Å; F372-L400 HydrophobicContact CE1-CB 3.78Å; F372-L400 HydrophobicContact CE1-CD1 4.3Å; F372-L400 HydrophobicContact CE2-CD1 3.93Å; F372-L400 HydrophobicContact CZ-CB 4.11Å; F372-L400 HydrophobicContact CZ-CD1 3.96Å
401	M	77.3	Confident	79.8	Confident	32 Å²	32	57.5 Å²	57.5	16%	0.158	35%	0.348	C	S	.	.			trans	-82.7	118.6	179.4	-64.1	-63	-75.4	0	0	110.6	N371 I373 G403 D404 T405	N371-M401 HydrophobicContact CB-CB 4.38Å; N371-M401 WeakPolarHBondContact O-CB 3.39Å; N371-M401 WeakPolarHBondContact O-CG 3.43Å; N371-M401 PolarHBondContact O-N 3.29Å; I373-M401 HydrophobicContact CB-SD 4.34Å; I373-M401 HydrophobicContact CD1-SD 3.46Å; I373-M401 WeakPolarHBondContact CD1-SD 3.36Å; I373-M401 HydrophobicContact CG1-CG 4.29Å; I373-M401 HydrophobicContact CG1-SD 3.66Å; I373-M401 HydrophobicContact CG2-CE 4.46Å; I373-M401 HydrophobicContact CG2-CG 3.73Å; I373-M401 HydrophobicContact CG2-SD 3.73Å; M401-G403 WeakPolarHBondContact CE-O 3.48Å; M401-D404 VanDerWaalsContact CE-C 3.47Å; M401-D404 WeakPolarHBondContact CE-O 3.42Å; M401-T405 VanDerWaalsContact CE-C 3.49Å; M401-T405 VanDerWaalsContact CE-CA 3.45Å
402	T	70.1	Confident	78.9	Confident	151 Å²	151	59.5 Å²	59.5	93%	0.926	37%	0.365	S	S	*	.	S	Bend	trans	-93.3	1.1	172.3	-32.8	0	0	0	0	112.4
403	G	72.7	Confident	78.1	Confident	42 Å²	42	68.6 Å²	68.6	43%	0.433	41%	0.405	S	S	.	.	S	Bend	trans	-174.6	-178.4	178.5	0	0	0	0	0	109.3	M401 T405	M401-G403 WeakPolarHBondContact CE-O 3.48Å; G403-T405 VanDerWaalsContact C-N 3.27Å; G403-T405 PolarHBondContact O-N 3.09Å; G403-T405 VanDerWaalsContact O-N 3.17Å
404	D	75.9	Confident	77.7	Confident	154 Å²	154	70.2 Å²	70.2	82%	0.824	41%	0.41	S	S	*	.	S	Bend	trans	-67	-21.7	-166.2	-52.7	-41.7	0	0	0	115.2	M401 S430	M401-D404 VanDerWaalsContact CE-C 3.47Å; M401-D404 WeakPolarHBondContact CE-O 3.42Å; D404-S430 WeakPolarHBondContact O-CB 3.31Å
405	T	84.6	Confident	78.3	Confident	86 Å²	86	69.9 Å²	69.9	53%	0.528	41%	0.41	S	S	.	.			trans	-140.1	144.4	-177.7	56.3	0	0	0	0	113.1	M401 G403 T428 F429	M401-T405 VanDerWaalsContact CE-C 3.49Å; M401-T405 VanDerWaalsContact CE-CA 3.45Å; G403-T405 VanDerWaalsContact C-N 3.27Å; G403-T405 PolarHBondContact O-N 3.09Å; G403-T405 VanDerWaalsContact O-N 3.17Å; T405-T428 HydrophobicContact CG2-CG2 3.77Å; T405-F429 CarbonylContact C-O 3.46Å; T405-F429 WeakPolarHBondContact CA-O 3.34Å
406	Y	85.1	Confident	79.3	Confident	59 Å²	59	72.7 Å²	72.7	23%	0.231	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.9	169.8	169.6	-98.3	0	0	0	110.4	I373 A408 F429	I373-Y406 HydrophobicContact CD1-CD1 4.34Å; I373-Y406 HydrophobicContact CD1-CG 4.33Å; Y406-A408 HydrophobicContact CE1-CB 3.89Å; Y406-F429 HydrophobicContact CD1-CB 4.36Å; Y406-F429 HydrophobicContact CD1-CD2 4.32Å; Y406-F429 PolarHBondContact N-O 2.81Å; Y406-F429 PolarHBondContact O-N 2.66Å
407	T	85.4	Confident	80.8	Confident	89 Å²	89	74.2 Å²	74.2	55%	0.546	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.9	175	-50.2	0	0	0	0	110.2
408	A	82.2	Confident	82.1	Confident	6 Å²	6	74.3 Å²	74.3	5%	0.05	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-77.3	149.9	175.9	0	0	0	0	0	111.9	Y406 F414 N427 F429	Y406-A408 HydrophobicContact CE1-CB 3.89Å; A408-F414 HydrophobicContact CB-CE1 4.35Å; A408-F414 HydrophobicContact CB-CZ 3.76Å; A408-N427 HydrophobicContact CB-CB 4.34Å; A408-N427 PolarHBondContact N-O 2.94Å; A408-N427 WeakPolarHBondContact O-CB 3.41Å; A408-N427 PolarHBondContact O-ND2 3.17Å; A408-F429 HydrophobicContact CB-CD2 4.12Å; A408-F429 HydrophobicContact CB-CE2 3.73Å
409	H	80.1	Confident	82.9	Confident	153 Å²	153	74.6 Å²	74.6	71%	0.708	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-55.7	145.8	179	-58.1	-68.2	0	0	0	112.8	A412 N427	H409-A412 VanDerWaalsContact O-CB 3.25Å; H409-A412 WeakPolarHBondContact O-CB 3.34Å; H409-A412 PolarHBondContact O-N 2.82Å; H409-N427 PolarHBondContact O-ND2 3.46Å; H409-N427 VanDerWaalsContact O-ND2 3.08Å
410	A	74.9	Confident	83.8	Confident	99 Å²	99	71.9 Å²	71.9	82%	0.818	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	142.6	175.5	0	0	0	0	0	111.1	A412	A410-A412 VanDerWaalsContact C-N 3.27Å; A410-A412 PolarHBondContact O-N 2.82Å
411	G	75.1	Confident	84.7	Confident	74 Å²	74	67 Å²	67	76%	0.763	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-2.6	-176.8	0	0	0	0	0	115.8
412	A	77.6	Confident	85.6	Confident	44 Å²	44	66.6 Å²	66.6	36%	0.364	39%	0.394	S	S	.	.			trans	-59.1	144.5	168.8	0	0	0	0	0	111.4	H409 A410 F414	H409-A412 VanDerWaalsContact O-CB 3.25Å; H409-A412 WeakPolarHBondContact O-CB 3.34Å; H409-A412 PolarHBondContact O-N 2.82Å; A410-A412 VanDerWaalsContact C-N 3.27Å; A410-A412 PolarHBondContact O-N 2.82Å; A412-F414 HydrophobicContact CB-CE1 3.85Å; A412-F414 HydrophobicContact CB-CE2 4.23Å; A412-F414 HydrophobicContact CB-CZ 3.47Å; A412-F414 VanDerWaalsContact CB-CZ 3.47Å
413	K	80.9	Confident	86.8	Confident	191 Å²	191	59.4 Å²	59.4	83%	0.83	35%	0.35	S	S	*	.			trans	-102.7	136.4	-176.6	-64.6	172.3	-175.4	166.4	0	110
414	F	83.4	Confident	87.7	Confident	44 Å²	44	59.7 Å²	59.7	19%	0.193	34%	0.341	C	S	.	.			trans	-131.4	151.5	-178	-50.9	-55.3	0	0	0	111.6	A408 A412 I416 T419 F429	A408-F414 HydrophobicContact CB-CE1 4.35Å; A408-F414 HydrophobicContact CB-CZ 3.76Å; A412-F414 HydrophobicContact CB-CE1 3.85Å; A412-F414 HydrophobicContact CB-CE2 4.23Å; A412-F414 HydrophobicContact CB-CZ 3.47Å; A412-F414 VanDerWaalsContact CB-CZ 3.47Å; F414-I416 VanDerWaalsContact C-N 3.32Å; F414-I416 PolarHBondContact O-N 3.16Å; F414-T419 HydrophobicContact CB-CG2 4.07Å; F414-F429 AromaticContact CD1-CZ 3.71Å; F414-F429 HydrophobicContact CD1-CZ 3.71Å; F414-F429 HydrophobicContact CD2-CZ 4.1Å; F414-F429 AromaticContact CE1-CE2 3.9Å; F414-F429 HydrophobicContact CE1-CE2 3.9Å; F414-F429 AromaticContact CE1-CZ 3.52Å; F414-F429 HydrophobicContact CE1-CZ 3.52Å; F414-F429 HydrophobicContact CE2-CE2 4.1Å; F414-F429 AromaticContact CE2-CZ 3.92Å; F414-F429 HydrophobicContact CE2-CZ 3.92Å; F414-F429 HydrophobicContact CG-CZ 4.02Å; F414-F429 AromaticContact CZ-CE2 3.66Å; F414-F429 HydrophobicContact CZ-CE2 3.66Å; F414-F429 AromaticContact CZ-CZ 3.63Å; F414-F429 HydrophobicContact CZ-CZ 3.63Å
415	P	91.8	Very high	88.4	Confident	43 Å²	43	53.6 Å²	53.6	28%	0.279	31%	0.312	S	S	.	.			trans	-78.7	80.7	179.8	33.1	-35	0	0	0	110.4	D376 K417 W418 T419	D376-P415 WeakPolarHBondContact OD1-CG 3.42Å; P415-K417 PolarHBondContact O-N 2.98Å; P415-W418 HydrophobicContact CB-CE3 3.99Å; P415-W418 PolarHBondContact O-N 2.9Å; P415-T419 PolarHBondContact O-N 2.86Å; P415-T419 PolarHBondContact O-OG1 3.21Å
416	I	94.8	Very high	88.7	Confident	63 Å²	63	56.5 Å²	56.5	32%	0.323	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.8	-44.6	-167.6	-63.4	169.7	0	0	0	115.4	F414 W418 T419 L424 L458 V461	F414-I416 VanDerWaalsContact C-N 3.32Å; F414-I416 PolarHBondContact O-N 3.16Å; I416-W418 VanDerWaalsContact C-N 3.28Å; I416-W418 PolarHBondContact O-N 3.42Å; I416-T419 PolarHBondContact O-N 3Å; I416-L424 HydrophobicContact CB-CD2 4.44Å; I416-L424 HydrophobicContact CG1-CD2 4.29Å; I416-L424 HydrophobicContact CG2-CD2 4.2Å; I416-L458 HydrophobicContact CB-CD2 4.47Å; I416-L458 HydrophobicContact CD1-CB 4.21Å; I416-V461 HydrophobicContact CG2-CB 4.35Å
417	K	97.4	Very high	89	Confident	31 Å²	31	55.4 Å²	55.4	14%	0.135	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.6	-178	-65.3	-175.9	172.1	-161.9	0	114.5	P415 S451 P452 Y453 L458	P415-K417 PolarHBondContact O-N 2.98Å; K417-S451 PolarHBondContact NZ-OG 3.48Å; K417-P452 HydrophobicContact CB-CB 4.35Å; K417-P452 HydrophobicContact CD-CB 4.37Å; K417-P452 VanDerWaalsContact CD-O 3.27Å; K417-P452 WeakPolarHBondContact CD-O 3.34Å; K417-P452 VanDerWaalsContact CE-O 3.26Å; K417-P452 WeakPolarHBondContact CE-O 3.4Å; K417-P452 PolarHBondContact NZ-O 3.42Å; K417-Y453 HydrophobicContact CB-CD2 4.03Å; K417-Y453 HydrophobicContact CB-CE2 4.36Å; K417-Y453 HydrophobicContact CD-CD2 4.5Å; K417-Y453 HydrophobicContact CG-CD2 4.1Å; K417-Y453 VanDerWaalsContact O-CE2 3.31Å; K417-Y453 WeakPolarHBondContact O-CE2 3.34Å; K417-L458 HydrophobicContact CD-CD2 4.09Å; K417-L458 HydrophobicContact CG-CD2 3.65Å
418	W	98	Very high	89.3	Confident	33 Å²	33	52.5 Å²	52.5	13%	0.125	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-13.9	177	-64.9	-101.2	0	0	0	112.7	A378 P415 I416 A437 V440 E444 P452	A378-W418 HydrophobicContact CB-CD2 4.25Å; A378-W418 HydrophobicContact CB-CG 4.11Å; P415-W418 HydrophobicContact CB-CE3 3.99Å; P415-W418 PolarHBondContact O-N 2.9Å; I416-W418 VanDerWaalsContact C-N 3.28Å; I416-W418 PolarHBondContact O-N 3.42Å; W418-A437 HydrophobicContact CB-CB 4.48Å; W418-A437 WeakPolarHBondContact O-CB 3.46Å; W418-V440 HydrophobicContact CD2-CG1 4.41Å; W418-V440 HydrophobicContact CG-CB 4.44Å; W418-V440 HydrophobicContact CG-CG1 4.02Å; W418-E444 WeakPolarHBondContact CZ2-OE1 3.41Å; W418-E444 PolarHBondContact NE1-OE2 2.96Å; W418-P452 HydrophobicContact CH2-CG 4.48Å; W418-P452 HydrophobicContact CZ2-CG 3.93Å
419	T	97	Very high	89.8	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.067	29%	0.293	C	S	.	.	S	Bend	trans	-79	131.9	-174.2	-48.6	0	0	0	0	111.3	F414 P415 I416 L424	F414-T419 HydrophobicContact CB-CG2 4.07Å; P415-T419 PolarHBondContact O-N 2.86Å; P415-T419 PolarHBondContact O-OG1 3.21Å; I416-T419 PolarHBondContact O-N 3Å; T419-L424 HydrophobicContact CG2-CD2 3.76Å; T419-L424 HydrophobicContact CG2-CG 3.82Å
420	A	97.9	Very high	90.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	26%	0.264	C	S	.	.			trans	-69.9	155.6	-179	0	0	0	0	0	112.7	E422 S423 L424 W436	A420-E422 VanDerWaalsContact C-N 3.34Å; A420-E422 WeakPolarHBondContact CB-OE1 3.07Å; A420-E422 WeakPolarHBondContact CB-OE2 3.43Å; A420-E422 PolarHBondContact O-N 2.94Å; A420-S423 CarbonylContact O-C 3.56Å; A420-S423 WeakPolarHBondContact O-CA 3.3Å; A420-S423 WeakPolarHBondContact O-CB 3.4Å; A420-S423 PolarHBondContact O-N 3.45Å; A420-L424 PolarHBondContact O-N 2.74Å; A420-W436 HydrophobicContact CB-CB 3.78Å; A420-W436 HydrophobicContact CB-CD2 4.15Å; A420-W436 HydrophobicContact CB-CG 3.69Å
421	P	96.9	Very high	91.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-40.4	-176.7	-26.2	34.9	0	0	0	114.3	S423 L424 A425 W436 Y462 W491	P421-S423 VanDerWaalsContact C-N 3.31Å; P421-S423 PolarHBondContact O-N 3.29Å; P421-L424 PolarHBondContact O-N 3.27Å; P421-A425 WeakPolarHBondContact O-CB 3.23Å; P421-A425 PolarHBondContact O-N 3.25Å; P421-W436 HydrophobicContact CG-CE3 4.33Å; P421-W436 HydrophobicContact CG-CH2 3.65Å; P421-W436 HydrophobicContact CG-CZ2 4.07Å; P421-W436 HydrophobicContact CG-CZ3 3.78Å; P421-Y462 HydrophobicContact CB-CE2 4.2Å; P421-W491 HydrophobicContact CB-CD2 4.45Å; P421-W491 HydrophobicContact CB-CE3 3.98Å; P421-W491 HydrophobicContact CB-CH2 3.77Å; P421-W491 HydrophobicContact CB-CZ2 4.25Å; P421-W491 HydrophobicContact CB-CZ3 3.61Å; P421-W491 HydrophobicContact CG-CE3 3.87Å; P421-W491 HydrophobicContact CG-CH2 4.46Å; P421-W491 HydrophobicContact CG-CZ3 3.81Å
422	E	95.8	Very high	92.6	Very high	23 Å²	23	41.3 Å²	41.3	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-31.8	176	72.1	-75.8	-173.5	0	0	112.8	A420 Y426 P493 R496	A420-E422 VanDerWaalsContact C-N 3.34Å; A420-E422 WeakPolarHBondContact CB-OE1 3.07Å; A420-E422 WeakPolarHBondContact CB-OE2 3.43Å; A420-E422 PolarHBondContact O-N 2.94Å; E422-Y426 HydrophobicContact CB-CD2 4.33Å; E422-Y426 WeakPolarHBondContact O-CA 3.34Å; E422-Y426 WeakPolarHBondContact O-CB 3.4Å; E422-Y426 PolarHBondContact O-N 2.97Å; E422-P493 HydrophobicContact CB-CG 4.47Å; E422-P493 HydrophobicContact CG-CG 3.92Å; E422-R496 IonicContact OE1-CZ 3.91Å; E422-R496 IonicContact OE1-NH1 3.65Å; E422-R496 PolarHBondContact OE1-NH1 3.41Å; E422-R496 IonicContact OE1-NH2 3.16Å; E422-R496 IonicContact OE2-CZ 2.59Å; E422-R496 IonicContact OE2-NH1 2.73Å; E422-R496 PolarHBondContact OE2-NH1 2.87Å; E422-R496 IonicContact OE2-NH2 2.84Å; E422-R496 PolarHBondContact OE2-NH2 3.18Å
423	S	94.8	Very high	93.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-75.7	-33.3	175.7	-49.5	0	0	0	0	111.7	A420 P421 N427 T428 S433	A420-S423 CarbonylContact O-C 3.56Å; A420-S423 WeakPolarHBondContact O-CA 3.3Å; A420-S423 WeakPolarHBondContact O-CB 3.4Å; A420-S423 PolarHBondContact O-N 3.45Å; P421-S423 VanDerWaalsContact C-N 3.31Å; P421-S423 PolarHBondContact O-N 3.29Å; S423-N427 WeakPolarHBondContact O-CA 3.35Å; S423-N427 PolarHBondContact O-N 2.89Å; S423-T428 VanDerWaalsContact CA-O 3.23Å; S423-T428 WeakPolarHBondContact CA-O 3.47Å; S423-T428 WeakPolarHBondContact CB-O 3.39Å; S423-T428 PolarHBondContact N-O 3.05Å; S423-T428 PolarHBondContact OG-O 2.78Å; S423-S433 WeakPolarHBondContact OG-CB 3.22Å
424	L	92.8	Very high	94.3	Very high	48 Å²	48	30.4 Å²	30.4	25%	0.251	15%	0.151	S	C	.	.	H	α-helix	trans	-71.9	-38.1	172.9	-72.3	174.9	0	0	0	113.1	I416 T419 A420 P421 Y462	I416-L424 HydrophobicContact CB-CD2 4.44Å; I416-L424 HydrophobicContact CG1-CD2 4.29Å; I416-L424 HydrophobicContact CG2-CD2 4.2Å; T419-L424 HydrophobicContact CG2-CD2 3.76Å; T419-L424 HydrophobicContact CG2-CG 3.82Å; A420-L424 PolarHBondContact O-N 2.74Å; P421-L424 PolarHBondContact O-N 3.27Å; L424-Y462 HydrophobicContact CB-CD2 3.98Å; L424-Y462 HydrophobicContact CB-CE2 4.47Å; L424-Y462 HydrophobicContact CD1-CD2 4.13Å
425	A	90.9	Very high	95.1	Very high	25 Å²	25	28.3 Å²	28.3	21%	0.207	14%	0.142	C	C	.	.	H	α-helix	trans	-89	-32.3	-175.1	0	0	0	0	0	114.1	P421 Y462	P421-A425 WeakPolarHBondContact O-CB 3.23Å; P421-A425 PolarHBondContact O-N 3.25Å; A425-Y462 HydrophobicContact CB-CE2 3.93Å
426	Y	90.5	Very high	95.4	Very high	148 Å²	148	26.3 Å²	26.3	58%	0.58	13%	0.129	S	C	*	.	H	α-helix	trans	-132.4	11.8	-168.3	-46.1	-61.8	0	0	0	113.7	E422 T428	E422-Y426 HydrophobicContact CB-CD2 4.33Å; E422-Y426 WeakPolarHBondContact O-CA 3.34Å; E422-Y426 WeakPolarHBondContact O-CB 3.4Å; E422-Y426 PolarHBondContact O-N 2.97Å; Y426-T428 PolarHBondContact O-N 2.86Å; Y426-T428 PolarHBondContact O-OG1 3.4Å
427	N	90.4	Very high	95.6	Very high	35 Å²	35	23.6 Å²	23.6	19%	0.187	12%	0.116	C	C	.	.			trans	50.3	23.4	-174.3	-73	13.8	0	0	0	114.1	A408 H409 S423 F429	A408-N427 HydrophobicContact CB-CB 4.34Å; A408-N427 PolarHBondContact N-O 2.94Å; A408-N427 WeakPolarHBondContact O-CB 3.41Å; A408-N427 PolarHBondContact O-ND2 3.17Å; H409-N427 PolarHBondContact O-ND2 3.46Å; H409-N427 VanDerWaalsContact O-ND2 3.08Å; S423-N427 WeakPolarHBondContact O-CA 3.35Å; S423-N427 PolarHBondContact O-N 2.89Å; N427-F429 VanDerWaalsContact O-CD2 3.27Å; N427-F429 WeakPolarHBondContact O-CD2 3.44Å; N427-F429 WeakPolarHBondContact O-CE2 3.44Å
428	T	91.5	Very high	95.6	Very high	29 Å²	29	22.1 Å²	22.1	18%	0.178	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.9	-170.6	-57.7	0	0	0	0	110	T405 S423 Y426	T405-T428 HydrophobicContact CG2-CG2 3.77Å; S423-T428 VanDerWaalsContact CA-O 3.23Å; S423-T428 WeakPolarHBondContact CA-O 3.47Å; S423-T428 WeakPolarHBondContact CB-O 3.39Å; S423-T428 PolarHBondContact N-O 3.05Å; S423-T428 PolarHBondContact OG-O 2.78Å; Y426-T428 PolarHBondContact O-N 2.86Å; Y426-T428 PolarHBondContact O-OG1 3.4Å
429	F	93.4	Very high	95.7	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.022	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149	-177.7	-63.7	-95.9	0	0	0	110.6	I373 R375 T405 Y406 A408 F414 N427 S433	I373-F429 HydrophobicContact CD1-CB 3.88Å; R375-F429 HydrophobicContact CB-CD1 4.12Å; R375-F429 HydrophobicContact CB-CE1 4.41Å; R375-F429 HydrophobicContact CG-CB 4.15Å; R375-F429 HydrophobicContact CG-CD1 3.86Å; R375-F429 HydrophobicContact CG-CG 4.11Å; T405-F429 CarbonylContact C-O 3.46Å; T405-F429 WeakPolarHBondContact CA-O 3.34Å; Y406-F429 HydrophobicContact CD1-CB 4.36Å; Y406-F429 HydrophobicContact CD1-CD2 4.32Å; Y406-F429 PolarHBondContact N-O 2.81Å; Y406-F429 PolarHBondContact O-N 2.66Å; A408-F429 HydrophobicContact CB-CD2 4.12Å; A408-F429 HydrophobicContact CB-CE2 3.73Å; F414-F429 AromaticContact CD1-CZ 3.71Å; F414-F429 HydrophobicContact CD1-CZ 3.71Å; F414-F429 HydrophobicContact CD2-CZ 4.1Å; F414-F429 AromaticContact CE1-CE2 3.9Å; F414-F429 HydrophobicContact CE1-CE2 3.9Å; F414-F429 AromaticContact CE1-CZ 3.52Å; F414-F429 HydrophobicContact CE1-CZ 3.52Å; F414-F429 HydrophobicContact CE2-CE2 4.1Å; F414-F429 AromaticContact CE2-CZ 3.92Å; F414-F429 HydrophobicContact CE2-CZ 3.92Å; F414-F429 HydrophobicContact CG-CZ 4.02Å; F414-F429 AromaticContact CZ-CE2 3.66Å; F414-F429 HydrophobicContact CZ-CE2 3.66Å; F414-F429 AromaticContact CZ-CZ 3.63Å; F414-F429 HydrophobicContact CZ-CZ 3.63Å; N427-F429 VanDerWaalsContact O-CD2 3.27Å; N427-F429 WeakPolarHBondContact O-CD2 3.44Å; N427-F429 WeakPolarHBondContact O-CE2 3.44Å; F429-S433 WeakPolarHBondContact CA-OG 3.38Å
430	S	94.8	Very high	95.8	Very high	13 Å²	13	20 Å²	20	9%	0.091	10%	0.1	C	C	.	.			trans	-157.8	175.7	175.4	64.3	0	0	0	0	109	I373 D404 K432 S433 D434	I373-S430 VanDerWaalsContact CG2-C 3.44Å; D404-S430 WeakPolarHBondContact O-CB 3.31Å; S430-K432 PolarHBondContact O-N 2.8Å; S430-K432 VanDerWaalsContact O-N 3.13Å; S430-K432 PolarHBondContact OG-N 3.41Å; S430-S433 PolarHBondContact N-OG 3.04Å; S430-S433 PolarHBondContact O-N 3.5Å; S430-S433 PolarHBondContact O-OG 3.49Å; S430-S433 PolarHBondContact OG-N 3.29Å; S430-D434 PolarHBondContact O-N 3.22Å
431	I	96.1	Very high	95.8	Very high	33 Å²	33	20 Å²	20	17%	0.169	10%	0.1	C	C	.	.	H	α-helix	trans	-57.9	-29.6	172.7	-166	67.3	0	0	0	111.6	M364 E368 I373 S433 D434 V435 F499	M364-I431 HydrophobicContact CE-CD1 4.35Å; E368-I431 HydrophobicContact CB-CD1 3.92Å; E368-I431 HydrophobicContact CB-CG1 3.8Å; E368-I431 HydrophobicContact CG-CG1 3.87Å; I373-I431 HydrophobicContact CG2-CB 4.4Å; I373-I431 VanDerWaalsContact CG2-N 3.34Å; I431-S433 VanDerWaalsContact C-N 3.33Å; I431-S433 PolarHBondContact O-N 3.21Å; I431-D434 WeakPolarHBondContact O-CB 3.32Å; I431-D434 PolarHBondContact O-N 3.19Å; I431-D434 VanDerWaalsContact O-N 3.1Å; I431-V435 WeakPolarHBondContact O-CG2 3.3Å; I431-V435 PolarHBondContact O-N 3.44Å; I431-F499 HydrophobicContact CD1-CD2 3.73Å; I431-F499 HydrophobicContact CD1-CE2 3.69Å; I431-F499 HydrophobicContact CG1-CD2 3.74Å; I431-F499 HydrophobicContact CG1-CE2 3.91Å
432	K	97.7	Very high	95.9	Very high	45 Å²	45	20.1 Å²	20.1	20%	0.196	10%	0.101	C	C	.	.	H	α-helix	trans	-71.6	-21.5	176.2	-59	-64.7	-178.7	170.8	0	113.6	S430 W436 P493 R496 P497 S498	S430-K432 PolarHBondContact O-N 2.8Å; S430-K432 VanDerWaalsContact O-N 3.13Å; S430-K432 PolarHBondContact OG-N 3.41Å; K432-W436 PolarHBondContact O-N 2.92Å; K432-P493 HydrophobicContact CB-CB 3.8Å; K432-P493 WeakPolarHBondContact CB-O 3.44Å; K432-P493 WeakPolarHBondContact CD-O 3.36Å; K432-P493 WeakPolarHBondContact CG-O 3.45Å; K432-R496 HydrophobicContact CD-CB 4.3Å; K432-R496 PolarHBondContact NZ-O 2.72Å; K432-R496 VanDerWaalsContact O-CD 3.31Å; K432-R496 WeakPolarHBondContact O-CD 3.36Å; K432-R496 PolarHBondContact O-NH1 3.06Å; K432-P497 PolarHBondContact NZ-O 3.17Å; K432-S498 VanDerWaalsContact NZ-N 3.17Å
433	S	97.5	Very high	96	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-76.6	-30.7	167.5	61.2	0	0	0	0	111.8	S423 F429 S430 I431 W436 A437	S423-S433 WeakPolarHBondContact OG-CB 3.22Å; F429-S433 WeakPolarHBondContact CA-OG 3.38Å; S430-S433 PolarHBondContact N-OG 3.04Å; S430-S433 PolarHBondContact O-N 3.5Å; S430-S433 PolarHBondContact O-OG 3.49Å; S430-S433 PolarHBondContact OG-N 3.29Å; I431-S433 VanDerWaalsContact C-N 3.33Å; I431-S433 PolarHBondContact O-N 3.21Å; S433-W436 WeakPolarHBondContact O-CB 3.45Å; S433-W436 PolarHBondContact O-N 2.9Å; S433-A437 PolarHBondContact O-N 2.88Å
434	D	97.9	Very high	96.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	10%	0.098	C	C	.	.	H	α-helix	trans	-70.9	-35	171.3	-65.2	-35.6	0	0	0	111.7	M364 I373 H374 R375 S430 I431 W436 A437 F438 F499	M364-D434 HydrophobicContact CE-CB 3.9Å; I373-D434 VanDerWaalsContact CA-OD2 3.31Å; I373-D434 WeakPolarHBondContact CA-OD2 3.5Å; I373-D434 WeakPolarHBondContact CB-OD2 3.37Å; H374-D434 PolarHBondContact N-OD2 3.45Å; R375-D434 WeakPolarHBondContact CA-OD1 3.46Å; R375-D434 PolarHBondContact N-OD1 2.7Å; S430-D434 PolarHBondContact O-N 3.22Å; I431-D434 WeakPolarHBondContact O-CB 3.32Å; I431-D434 PolarHBondContact O-N 3.19Å; I431-D434 VanDerWaalsContact O-N 3.1Å; D434-W436 VanDerWaalsContact C-N 3.3Å; D434-W436 PolarHBondContact O-N 2.86Å; D434-A437 CarbonylContact O-C 3.5Å; D434-A437 WeakPolarHBondContact O-CB 3.19Å; D434-A437 PolarHBondContact O-N 2.82Å; D434-F438 WeakPolarHBondContact O-CB 3.45Å; D434-F438 PolarHBondContact O-N 2.88Å; D434-F499 HydrophobicContact CB-CE2 4.02Å; D434-F499 HydrophobicContact CB-CZ 4.2Å
435	V	98.7	Very high	96.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-38.7	171.7	173.7	0	0	0	0	111.6	I431 F438 G439 C488 R496 P497 F499	I431-V435 WeakPolarHBondContact O-CG2 3.3Å; I431-V435 PolarHBondContact O-N 3.44Å; V435-F438 PolarHBondContact O-N 3.07Å; V435-G439 PolarHBondContact O-N 2.68Å; V435-C488 HydrophobicContact CG1-CB 4.16Å; V435-C488 WeakPolarHBondContact O-CB 3.16Å; V435-R496 HydrophobicContact CG1-CB 4.01Å; V435-P497 HydrophobicContact CG1-CG 4.18Å; V435-F499 HydrophobicContact CB-CE2 4.37Å; V435-F499 HydrophobicContact CB-CZ 4.28Å; V435-F499 HydrophobicContact CG2-CD1 4.43Å; V435-F499 HydrophobicContact CG2-CD2 3.68Å; V435-F499 HydrophobicContact CG2-CE1 4.2Å; V435-F499 HydrophobicContact CG2-CE2 3.4Å; V435-F499 VanDerWaalsContact CG2-CE2 3.4Å; V435-F499 HydrophobicContact CG2-CG 4.21Å; V435-F499 HydrophobicContact CG2-CZ 3.7Å
436	W	98.8	Very high	96.9	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-46.9	172.8	175.6	-75.9	0	0	0	111.5	A420 P421 K432 S433 D434 F438 G439 V440 L465 W489	A420-W436 HydrophobicContact CB-CB 3.78Å; A420-W436 HydrophobicContact CB-CD2 4.15Å; A420-W436 HydrophobicContact CB-CG 3.69Å; P421-W436 HydrophobicContact CG-CE3 4.33Å; P421-W436 HydrophobicContact CG-CH2 3.65Å; P421-W436 HydrophobicContact CG-CZ2 4.07Å; P421-W436 HydrophobicContact CG-CZ3 3.78Å; K432-W436 PolarHBondContact O-N 2.92Å; S433-W436 WeakPolarHBondContact O-CB 3.45Å; S433-W436 PolarHBondContact O-N 2.9Å; D434-W436 VanDerWaalsContact C-N 3.3Å; D434-W436 PolarHBondContact O-N 2.86Å; W436-F438 VanDerWaalsContact C-N 3.31Å; W436-F438 PolarHBondContact O-N 3.41Å; W436-G439 PolarHBondContact O-N 3.35Å; W436-G439 VanDerWaalsContact O-N 3.13Å; W436-V440 PolarHBondContact O-N 3.35Å; W436-L465 HydrophobicContact CH2-CD1 4.16Å; W436-L465 HydrophobicContact CH2-CD2 3.89Å; W436-L465 HydrophobicContact CZ2-CD1 3.67Å; W436-L465 HydrophobicContact CZ2-CD2 3.82Å; W436-L465 HydrophobicContact CZ2-CG 4.35Å; W436-W489 AromaticContact CD2-CD1 3.92Å; W436-W489 AromaticContact CE2-CD1 3.99Å; W436-W489 HydrophobicContact CE3-CB 4.17Å; W436-W489 HydrophobicContact CH2-CB 4.09Å; W436-W489 HydrophobicContact CZ3-CB 3.88Å; W436-W489 WeakPolarHBondContact CZ3-O 3.38Å; W436-W489 PolarHBondContact O-NE1 2.8Å
437	A	98.6	Very high	97.2	Very high	6 Å²	6	11.3 Å²	11.3	5%	0.05	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-37.2	177.6	0	0	0	0	0	112	L377 W418 S433 D434 G439 V440 L441	L377-A437 HydrophobicContact CB-CB 4.11Å; W418-A437 HydrophobicContact CB-CB 4.48Å; W418-A437 WeakPolarHBondContact O-CB 3.46Å; S433-A437 PolarHBondContact O-N 2.88Å; D434-A437 CarbonylContact O-C 3.5Å; D434-A437 WeakPolarHBondContact O-CB 3.19Å; D434-A437 PolarHBondContact O-N 2.82Å; A437-G439 PolarHBondContact O-N 3.42Å; A437-V440 WeakPolarHBondContact O-CB 3.28Å; A437-V440 PolarHBondContact O-N 2.93Å; A437-V440 VanDerWaalsContact O-N 3.1Å; A437-L441 PolarHBondContact O-N 2.88Å
438	F	98.8	Very high	97.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.5	-40.1	171.8	-176.4	-102.1	0	0	0	112.2	I360 L377 D434 V435 W436 V440 L441 L442 F499 T502 F506	I360-F438 HydrophobicContact CB-CE2 4.15Å; I360-F438 HydrophobicContact CG2-CD2 4.13Å; I360-F438 HydrophobicContact CG2-CE2 3.87Å; L377-F438 HydrophobicContact CD2-CB 3.8Å; L377-F438 HydrophobicContact CD2-CD2 4.19Å; D434-F438 WeakPolarHBondContact O-CB 3.45Å; D434-F438 PolarHBondContact O-N 2.88Å; V435-F438 PolarHBondContact O-N 3.07Å; W436-F438 VanDerWaalsContact C-N 3.31Å; W436-F438 PolarHBondContact O-N 3.41Å; F438-V440 VanDerWaalsContact C-N 3.26Å; F438-V440 PolarHBondContact O-N 3.34Å; F438-L441 HydrophobicContact CD2-CD2 3.53Å; F438-L441 HydrophobicContact CE2-CD2 3.73Å; F438-L441 WeakPolarHBondContact O-CB 3.43Å; F438-L441 PolarHBondContact O-N 2.93Å; F438-L442 HydrophobicContact CD1-CD1 4.06Å; F438-L442 HydrophobicContact CD1-CG 4.08Å; F438-L442 HydrophobicContact CE1-CD1 3.61Å; F438-L442 HydrophobicContact CE1-CD2 3.83Å; F438-L442 HydrophobicContact CE1-CG 3.68Å; F438-L442 HydrophobicContact CE2-CD2 4.32Å; F438-L442 HydrophobicContact CZ-CD1 4.3Å; F438-L442 HydrophobicContact CZ-CD2 3.63Å; F438-L442 HydrophobicContact CZ-CG 3.96Å; F438-L442 WeakPolarHBondContact O-CG 3.01Å; F438-L442 PolarHBondContact O-N 2.67Å; F438-F499 HydrophobicContact CB-CE1 3.66Å; F438-F499 HydrophobicContact CB-CZ 3.94Å; F438-F499 HydrophobicContact CD1-CE1 4.13Å; F438-F499 HydrophobicContact CD2-CE1 4.06Å; F438-F499 AromaticContact CG-CE1 3.68Å; F438-F499 HydrophobicContact CG-CE1 3.68Å; F438-F499 HydrophobicContact CG-CZ 4.45Å; F438-T502 HydrophobicContact CD1-CG2 3.89Å; F438-T502 HydrophobicContact CE1-CG2 3.38Å; F438-T502 HydrophobicContact CZ-CG2 4.25Å; F438-F506 AromaticContact CE1-CE2 3.91Å; F438-F506 HydrophobicContact CE1-CE2 3.91Å; F438-F506 HydrophobicContact CE1-CZ 4.36Å; F438-F506 AromaticContact CZ-CE2 3.83Å; F438-F506 HydrophobicContact CZ-CE2 3.83Å; F438-F506 HydrophobicContact CZ-CZ 4.37Å
439	G	98.8	Very high	97.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57.9	-38.6	171.5	0	0	0	0	0	112.7	V435 W436 A437 W443 W489	V435-G439 PolarHBondContact O-N 2.68Å; W436-G439 PolarHBondContact O-N 3.35Å; W436-G439 VanDerWaalsContact O-N 3.13Å; A437-G439 PolarHBondContact O-N 3.42Å; G439-W443 PolarHBondContact O-N 3Å; G439-W489 VanDerWaalsContact C-NE1 3.31Å; G439-W489 WeakPolarHBondContact O-CZ2 3.34Å
440	V	98.8	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.9	-42	175.4	-176.2	0	0	0	0	111.5	W418 W436 A437 F438 L442 W443 E444 P452 M471 W489	W418-V440 HydrophobicContact CD2-CG1 4.41Å; W418-V440 HydrophobicContact CG-CB 4.44Å; W418-V440 HydrophobicContact CG-CG1 4.02Å; W436-V440 PolarHBondContact O-N 3.35Å; A437-V440 WeakPolarHBondContact O-CB 3.28Å; A437-V440 PolarHBondContact O-N 2.93Å; A437-V440 VanDerWaalsContact O-N 3.1Å; F438-V440 VanDerWaalsContact C-N 3.26Å; F438-V440 PolarHBondContact O-N 3.34Å; V440-L442 PolarHBondContact O-N 3.34Å; V440-W443 WeakPolarHBondContact O-CB 3.15Å; V440-W443 PolarHBondContact O-N 3.45Å; V440-W443 VanDerWaalsContact O-N 3.11Å; V440-E444 PolarHBondContact O-N 3.28Å; V440-P452 HydrophobicContact CG1-CB 3.83Å; V440-P452 HydrophobicContact CG1-CG 3.59Å; V440-M471 HydrophobicContact CG1-CE 4.31Å; V440-W489 HydrophobicContact CG2-CZ2 4.42Å
441	L	98.8	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57	-44.4	172.2	171.1	89.2	0	0	0	112	I360 A379 A437 F438 W443 E444 I445	I360-L441 HydrophobicContact CB-CD2 4.27Å; I360-L441 HydrophobicContact CD1-CD1 4.46Å; I360-L441 HydrophobicContact CD1-CD2 3.88Å; I360-L441 HydrophobicContact CG2-CD2 3.57Å; A379-L441 HydrophobicContact CB-CD1 3.88Å; A379-L441 VanDerWaalsContact N-CD1 3.28Å; A437-L441 PolarHBondContact O-N 2.88Å; F438-L441 HydrophobicContact CD2-CD2 3.53Å; F438-L441 HydrophobicContact CE2-CD2 3.73Å; F438-L441 WeakPolarHBondContact O-CB 3.43Å; F438-L441 PolarHBondContact O-N 2.93Å; L441-W443 PolarHBondContact O-N 3.48Å; L441-E444 WeakPolarHBondContact O-CA 3.38Å; L441-E444 WeakPolarHBondContact O-CB 3.39Å; L441-E444 PolarHBondContact O-N 3.1Å; L441-I445 HydrophobicContact CD1-CD1 4.47Å; L441-I445 HydrophobicContact CD2-CD1 4.33Å; L441-I445 HydrophobicContact CG-CD1 4Å; L441-I445 WeakPolarHBondContact O-CG1 3.49Å; L441-I445 PolarHBondContact O-N 2.75Å
442	L	98.8	Very high	98.4	Very high	5 Å²	5	16 Å²	16	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-35.9	175.9	-71.3	-177.3	0	0	0	111.9	A357 F438 V440 I445 A446 L484 M485 F506	A357-L442 HydrophobicContact CB-CD2 3.74Å; F438-L442 HydrophobicContact CD1-CD1 4.06Å; F438-L442 HydrophobicContact CD1-CG 4.08Å; F438-L442 HydrophobicContact CE1-CD1 3.61Å; F438-L442 HydrophobicContact CE1-CD2 3.83Å; F438-L442 HydrophobicContact CE1-CG 3.68Å; F438-L442 HydrophobicContact CE2-CD2 4.32Å; F438-L442 HydrophobicContact CZ-CD1 4.3Å; F438-L442 HydrophobicContact CZ-CD2 3.63Å; F438-L442 HydrophobicContact CZ-CG 3.96Å; F438-L442 WeakPolarHBondContact O-CG 3.01Å; F438-L442 PolarHBondContact O-N 2.67Å; V440-L442 PolarHBondContact O-N 3.34Å; L442-I445 PolarHBondContact O-N 3.13Å; L442-A446 VanDerWaalsContact O-CB 3.27Å; L442-A446 WeakPolarHBondContact O-CB 3.45Å; L442-A446 PolarHBondContact O-N 2.95Å; L442-L484 HydrophobicContact CD1-CD2 4.42Å; L442-L484 HydrophobicContact CD1-CG 4.41Å; L442-M485 HydrophobicContact CB-CE 4.07Å; L442-M485 HydrophobicContact CB-CG 3.96Å; L442-M485 HydrophobicContact CD1-CG 4.27Å; L442-F506 HydrophobicContact CD1-CZ 3.86Å; L442-F506 HydrophobicContact CD2-CE2 4.34Å; L442-F506 HydrophobicContact CD2-CZ 3.64Å; L442-F506 HydrophobicContact CG-CZ 4.4Å
443	W	98.8	Very high	98.4	Very high	11 Å²	11	14 Å²	14	4%	0.042	8%	0.079	C	C	.	.	H	α-helix	trans	-70.4	-37.5	174	-168.3	98.7	0	0	0	111.8	G439 V440 L441 T447 M450 P452 P454 M471 E472 P474 M485 W489	G439-W443 PolarHBondContact O-N 3Å; V440-W443 WeakPolarHBondContact O-CB 3.15Å; V440-W443 PolarHBondContact O-N 3.45Å; V440-W443 VanDerWaalsContact O-N 3.11Å; L441-W443 PolarHBondContact O-N 3.48Å; W443-T447 HydrophobicContact CD2-CG2 3.91Å; W443-T447 HydrophobicContact CE3-CG2 3.95Å; W443-T447 HydrophobicContact CH2-CG2 3.93Å; W443-T447 HydrophobicContact CZ2-CG2 3.89Å; W443-T447 HydrophobicContact CZ3-CG2 3.95Å; W443-T447 WeakPolarHBondContact O-CB 3.49Å; W443-T447 VanDerWaalsContact O-CG2 3.27Å; W443-T447 WeakPolarHBondContact O-CG2 3.42Å; W443-T447 PolarHBondContact O-N 2.89Å; W443-T447 VanDerWaalsContact O-N 3.1Å; W443-T447 PolarHBondContact O-OG1 3.04Å; W443-M450 HydrophobicContact CH2-CB 4.06Å; W443-M450 HydrophobicContact CZ3-CB 3.88Å; W443-P452 HydrophobicContact CE3-CB 4.37Å; W443-P452 HydrophobicContact CE3-CG 4.3Å; W443-P452 HydrophobicContact CZ3-CB 4.42Å; W443-P452 HydrophobicContact CZ3-CG 4.44Å; W443-P454 HydrophobicContact CH2-CG 4.34Å; W443-P454 HydrophobicContact CZ2-CG 4.47Å; W443-M471 HydrophobicContact CB-CE 3.74Å; W443-M471 HydrophobicContact CD2-CE 3.74Å; W443-M471 HydrophobicContact CD2-SD 3.79Å; W443-M471 HydrophobicContact CE3-CE 4.24Å; W443-M471 HydrophobicContact CE3-SD 4.1Å; W443-M471 HydrophobicContact CG-CE 3.51Å; W443-M471 HydrophobicContact CG-SD 4.17Å; W443-M471 HydrophobicContact CZ2-SD 4.21Å; W443-M471 HydrophobicContact CZ3-SD 4.46Å; W443-E472 PolarHBondContact NE1-O 2.84Å; W443-E472 VanDerWaalsContact NE1-O 3.12Å; W443-P474 HydrophobicContact CG-CG 4.28Å; W443-M485 HydrophobicContact CB-CE 4.49Å; W443-M485 HydrophobicContact CB-SD 3.99Å; W443-M485 HydrophobicContact CG-SD 4.46Å; W443-W489 HydrophobicContact CB-CH2 4.16Å; W443-W489 HydrophobicContact CB-CZ2 4.17Å; W443-W489 AromaticContact CD1-CH2 3.99Å; W443-W489 HydrophobicContact CG-CH2 4.32Å
444	E	98.8	Very high	98.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-45.6	170.2	-63.4	-177	96.2	0	0	111.6	L337 A379 W418 V440 L441 T447 Y448 G449 P452	L337-E444 WeakPolarHBondContact CD1-OE1 3.5Å; A379-E444 HydrophobicContact CB-CB 4.14Å; A379-E444 PolarHBondContact N-OE2 3.33Å; W418-E444 WeakPolarHBondContact CZ2-OE1 3.41Å; W418-E444 PolarHBondContact NE1-OE2 2.96Å; V440-E444 PolarHBondContact O-N 3.28Å; L441-E444 WeakPolarHBondContact O-CA 3.38Å; L441-E444 WeakPolarHBondContact O-CB 3.39Å; L441-E444 PolarHBondContact O-N 3.1Å; E444-T447 PolarHBondContact O-N 3.37Å; E444-T447 PolarHBondContact O-OG1 3.15Å; E444-Y448 PolarHBondContact O-N 3.48Å; E444-G449 PolarHBondContact O-N 3.01Å; E444-P452 HydrophobicContact CG-CG 3.99Å
445	I	98.7	Very high	98.2	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-51.4	178.4	-66.4	168.3	0	0	0	110.5	L336 L340 L353 A357 I360 L441 L442 T447 Y448	L336-I445 HydrophobicContact CD2-CD1 4.26Å; L336-I445 HydrophobicContact CD2-CG1 4.21Å; L340-I445 HydrophobicContact CD1-CG1 4.2Å; L353-I445 HydrophobicContact CB-CG2 3.96Å; L353-I445 HydrophobicContact CD2-CG2 4.02Å; L353-I445 HydrophobicContact CG-CG2 4.48Å; A357-I445 HydrophobicContact CB-CD1 4.22Å; I360-I445 HydrophobicContact CD1-CD1 4Å; L441-I445 HydrophobicContact CD1-CD1 4.47Å; L441-I445 HydrophobicContact CD2-CD1 4.33Å; L441-I445 HydrophobicContact CG-CD1 4Å; L441-I445 WeakPolarHBondContact O-CG1 3.49Å; L441-I445 PolarHBondContact O-N 2.75Å; L442-I445 PolarHBondContact O-N 3.13Å; I445-T447 PolarHBondContact O-N 2.87Å; I445-T447 VanDerWaalsContact O-N 3.13Å; I445-Y448 PolarHBondContact O-N 3.25Å
446	A	98.3	Very high	98.1	Very high	23 Å²	23	22.9 Å²	22.9	19%	0.19	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-10.6	-179.6	0	0	0	0	0	114.5	L442 P474 M485	L442-A446 VanDerWaalsContact O-CB 3.27Å; L442-A446 WeakPolarHBondContact O-CB 3.45Å; L442-A446 PolarHBondContact O-N 2.95Å; A446-P474 HydrophobicContact CB-CB 4.31Å; A446-P474 HydrophobicContact CB-CG 4.04Å; A446-M485 HydrophobicContact CB-CE 3.84Å
447	T	98.2	Very high	97.9	Very high	17 Å²	17	27.6 Å²	27.6	10%	0.104	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	3	176.7	56.4	0	0	0	0	114	W443 E444 I445 M450 P474	W443-T447 HydrophobicContact CD2-CG2 3.91Å; W443-T447 HydrophobicContact CE3-CG2 3.95Å; W443-T447 HydrophobicContact CH2-CG2 3.93Å; W443-T447 HydrophobicContact CZ2-CG2 3.89Å; W443-T447 HydrophobicContact CZ3-CG2 3.95Å; W443-T447 WeakPolarHBondContact O-CB 3.49Å; W443-T447 VanDerWaalsContact O-CG2 3.27Å; W443-T447 WeakPolarHBondContact O-CG2 3.42Å; W443-T447 PolarHBondContact O-N 2.89Å; W443-T447 VanDerWaalsContact O-N 3.1Å; W443-T447 PolarHBondContact O-OG1 3.04Å; E444-T447 PolarHBondContact O-N 3.37Å; E444-T447 PolarHBondContact O-OG1 3.15Å; I445-T447 PolarHBondContact O-N 2.87Å; I445-T447 VanDerWaalsContact O-N 3.13Å; T447-M450 HydrophobicContact CG2-CB 4.48Å; T447-M450 HydrophobicContact CG2-SD 4.13Å; T447-M450 PolarHBondContact OG1-N 3.34Å; T447-P474 HydrophobicContact CG2-CB 3.75Å; T447-P474 HydrophobicContact CG2-CG 3.76Å
448	Y	98.3	Very high	97.7	Very high	48 Å²	48	31.6 Å²	31.6	19%	0.188	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	47.8	-171.7	-63.3	-97.6	0	0	0	112.7	L340 K345 V348 L353 E444 I445	L340-Y448 HydrophobicContact CD2-CD1 4.46Å; L340-Y448 WeakPolarHBondContact O-CB 3.31Å; K345-Y448 HydrophobicContact CB-CE1 3.99Å; K345-Y448 HydrophobicContact CD-CD1 3.79Å; K345-Y448 HydrophobicContact CD-CD2 4.14Å; K345-Y448 HydrophobicContact CD-CE1 3.77Å; K345-Y448 HydrophobicContact CD-CE2 4.13Å; K345-Y448 HydrophobicContact CD-CG 3.98Å; K345-Y448 HydrophobicContact CG-CD1 3.9Å; K345-Y448 HydrophobicContact CG-CE1 3.63Å; K345-Y448 VanDerWaalsContact NZ-CB 3.3Å; K345-Y448 VanDerWaalsContact NZ-CG 3.34Å; V348-Y448 WeakPolarHBondContact O-CE1 3.09Å; V348-Y448 PolarHBondContact O-OH 3.45Å; V348-Y448 VanDerWaalsContact O-OH 3.12Å; L353-Y448 HydrophobicContact CD1-CE1 4.31Å; L353-Y448 HydrophobicContact CD1-CE2 3.99Å; L353-Y448 HydrophobicContact CD2-CE1 4.19Å; E444-Y448 PolarHBondContact O-N 3.48Å; I445-Y448 PolarHBondContact O-N 3.25Å
449	G	97.8	Very high	97.5	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	80	25.8	170.4	0	0	0	0	0	116	R341 E444	R341-G449 PolarHBondContact NE-O 3.18Å; R341-G449 PolarHBondContact NH2-O 3.5Å; E444-G449 PolarHBondContact O-N 3.01Å
450	M	98.1	Very high	97.3	Very high	98 Å²	98	40.6 Å²	40.6	48%	0.483	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-62.6	154.4	169.7	-70.6	179.4	63	0	0	111.2	W443 T447 P452	W443-M450 HydrophobicContact CH2-CB 4.06Å; W443-M450 HydrophobicContact CZ3-CB 3.88Å; T447-M450 HydrophobicContact CG2-CB 4.48Å; T447-M450 HydrophobicContact CG2-SD 4.13Å; T447-M450 PolarHBondContact OG1-N 3.34Å; M450-P452 WeakPolarHBondContact O-CD 3.4Å
451	S	97.5	Very high	97.2	Very high	66 Å²	66	40.6 Å²	40.6	46%	0.462	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.5	125.4	172	-165.4	0	0	0	0	109.9	K417	K417-S451 PolarHBondContact NZ-OG 3.48Å
452	P	98.3	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-55.1	156.1	175.1	-27.9	36.8	0	0	0	112.4	K417 W418 V440 W443 E444 M450 M471	K417-P452 HydrophobicContact CB-CB 4.35Å; K417-P452 HydrophobicContact CD-CB 4.37Å; K417-P452 VanDerWaalsContact CD-O 3.27Å; K417-P452 WeakPolarHBondContact CD-O 3.34Å; K417-P452 VanDerWaalsContact CE-O 3.26Å; K417-P452 WeakPolarHBondContact CE-O 3.4Å; K417-P452 PolarHBondContact NZ-O 3.42Å; W418-P452 HydrophobicContact CH2-CG 4.48Å; W418-P452 HydrophobicContact CZ2-CG 3.93Å; V440-P452 HydrophobicContact CG1-CB 3.83Å; V440-P452 HydrophobicContact CG1-CG 3.59Å; W443-P452 HydrophobicContact CE3-CB 4.37Å; W443-P452 HydrophobicContact CE3-CG 4.3Å; W443-P452 HydrophobicContact CZ3-CB 4.42Å; W443-P452 HydrophobicContact CZ3-CG 4.44Å; E444-P452 HydrophobicContact CG-CG 3.99Å; M450-P452 WeakPolarHBondContact O-CD 3.4Å; P452-M471 HydrophobicContact CB-CE 4.15Å; P452-M471 HydrophobicContact CB-SD 3.67Å
453	Y	97.6	Very high	96.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	28%	0.284	C	S	.	.	S	Bend	trans	51.6	59.5	-178.3	-54.6	-91.8	0	0	0	112.4	K417 G455 I456 V461 L465 Y469 M471	K417-Y453 HydrophobicContact CB-CD2 4.03Å; K417-Y453 HydrophobicContact CB-CE2 4.36Å; K417-Y453 HydrophobicContact CD-CD2 4.5Å; K417-Y453 HydrophobicContact CG-CD2 4.1Å; K417-Y453 VanDerWaalsContact O-CE2 3.31Å; K417-Y453 WeakPolarHBondContact O-CE2 3.34Å; Y453-G455 PolarHBondContact O-N 3.28Å; Y453-I456 HydrophobicContact CD1-CD1 4.34Å; Y453-I456 PolarHBondContact O-N 2.91Å; Y453-V461 HydrophobicContact CD1-CG1 4.41Å; Y453-V461 HydrophobicContact CE1-CG1 4.29Å; Y453-L465 HydrophobicContact CE1-CD2 4.05Å; Y453-Y469 HydrophobicContact CD1-CE1 4.04Å; Y453-Y469 HydrophobicContact CE1-CE1 4.25Å; Y453-M471 HydrophobicContact CD1-CG 3.86Å; Y453-M471 HydrophobicContact CD1-SD 4.42Å; Y453-M471 HydrophobicContact CD2-CG 4.34Å; Y453-M471 HydrophobicContact CD2-SD 3.85Å; Y453-M471 HydrophobicContact CE1-CG 3.82Å; Y453-M471 HydrophobicContact CE1-SD 4.49Å; Y453-M471 HydrophobicContact CE2-CE 4.21Å; Y453-M471 HydrophobicContact CE2-CG 4.28Å; Y453-M471 HydrophobicContact CE2-SD 3.9Å; Y453-M471 HydrophobicContact CG-CG 4.11Å; Y453-M471 HydrophobicContact CG-SD 4.09Å; Y453-M471 PolarHBondContact N-SD 3.28Å
454	P	96.5	Very high	96.9	Very high	71 Å²	71	49.8 Å²	49.8	46%	0.461	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	136.1	178.7	27.2	-34.8	0	0	0	110.8	W443 I456	W443-P454 HydrophobicContact CH2-CG 4.34Å; W443-P454 HydrophobicContact CZ2-CG 4.47Å; P454-I456 VanDerWaalsContact C-N 3.26Å; P454-I456 PolarHBondContact O-N 2.98Å
455	G	95.5	Very high	96.8	Very high	93 Å²	93	49.8 Å²	49.8	96%	0.959	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	0	-179.9	0	0	0	0	0	116.3	Y453	Y453-G455 PolarHBondContact O-N 3.28Å
456	I	96.7	Very high	96.7	Very high	30 Å²	30	55.2 Å²	55.2	15%	0.154	32%	0.318	C	S	.	.			trans	-107.4	130.1	-177.1	-65.1	167.7	0	0	0	110.9	Y453 P454 Q460 V461 L464 Y469	Y453-I456 HydrophobicContact CD1-CD1 4.34Å; Y453-I456 PolarHBondContact O-N 2.91Å; P454-I456 VanDerWaalsContact C-N 3.26Å; P454-I456 PolarHBondContact O-N 2.98Å; I456-Q460 HydrophobicContact CG2-CB 4.33Å; I456-V461 HydrophobicContact CG2-CG2 3.9Å; I456-L464 HydrophobicContact CD1-CD1 3.98Å; I456-L464 HydrophobicContact CG1-CD1 4.17Å; I456-L464 HydrophobicContact CG2-CD1 3.68Å; I456-Y469 HydrophobicContact CD1-CD1 4.44Å; I456-Y469 HydrophobicContact CD1-CE1 3.55Å; I456-Y469 WeakPolarHBondContact CD1-OH 3.49Å
457	D	95.3	Very high	96.6	Very high	100 Å²	100	62.3 Å²	62.3	54%	0.535	34%	0.34	S	S	.	.			trans	-68.2	140.9	172.5	-77.6	-43.9	0	0	0	111.9	S459 Q460 V461	D457-S459 PolarHBondContact O-N 2.9Å; D457-S459 VanDerWaalsContact O-N 3.09Å; D457-Q460 HydrophobicContact CB-CG 4.07Å; D457-Q460 PolarHBondContact O-N 2.9Å; D457-Q460 PolarHBondContact OD2-NE2 2.83Å; D457-Q460 VanDerWaalsContact OD2-NE2 3.14Å; D457-V461 PolarHBondContact O-N 2.82Å
458	L	93.4	Very high	96.6	Very high	90 Å²	90	66.8 Å²	66.8	47%	0.471	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.2	179.8	-65.1	179.3	0	0	0	113.9	I416 K417 Q460	I416-L458 HydrophobicContact CB-CD2 4.47Å; I416-L458 HydrophobicContact CD1-CB 4.21Å; K417-L458 HydrophobicContact CD-CD2 4.09Å; K417-L458 HydrophobicContact CG-CD2 3.65Å; L458-Q460 VanDerWaalsContact C-N 3.31Å
459	S	94.1	Very high	96.5	Very high	104 Å²	104	68 Å²	68	73%	0.727	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	176.8	49	0	0	0	0	113.9	D457	D457-S459 PolarHBondContact O-N 2.9Å; D457-S459 VanDerWaalsContact O-N 3.09Å
460	Q	95.8	Very high	96.6	Very high	85 Å²	85	69.1 Å²	69.1	40%	0.397	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-20.1	-177.6	-58	-178.9	35.7	0	0	112.5	I456 D457 L458 Y462 E463 L464	I456-Q460 HydrophobicContact CG2-CB 4.33Å; D457-Q460 HydrophobicContact CB-CG 4.07Å; D457-Q460 PolarHBondContact O-N 2.9Å; D457-Q460 PolarHBondContact OD2-NE2 2.83Å; D457-Q460 VanDerWaalsContact OD2-NE2 3.14Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; Q460-Y462 PolarHBondContact O-N 3.12Å; Q460-E463 PolarHBondContact O-N 3.48Å; Q460-E463 VanDerWaalsContact O-N 3.09Å; Q460-L464 HydrophobicContact CB-CD1 4.21Å; Q460-L464 WeakPolarHBondContact O-CG 3.16Å; Q460-L464 PolarHBondContact O-N 3.31Å
461	V	95.7	Very high	96.6	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-51.1	-52.6	-173.5	174.9	0	0	0	0	112.1	I416 Y453 I456 D457 E463 L464 L465	I416-V461 HydrophobicContact CG2-CB 4.35Å; Y453-V461 HydrophobicContact CD1-CG1 4.41Å; Y453-V461 HydrophobicContact CE1-CG1 4.29Å; I456-V461 HydrophobicContact CG2-CG2 3.9Å; D457-V461 PolarHBondContact O-N 2.82Å; V461-E463 PolarHBondContact O-N 2.96Å; V461-L464 PolarHBondContact O-N 2.69Å; V461-L465 HydrophobicContact CG1-CD1 3.81Å; V461-L465 HydrophobicContact CG1-CG 4.26Å; V461-L465 WeakPolarHBondContact O-CB 3.31Å; V461-L465 VanDerWaalsContact O-CG 3.24Å; V461-L465 WeakPolarHBondContact O-CG 3.26Å; V461-L465 PolarHBondContact O-N 3.24Å
462	Y	95.8	Very high	96.6	Very high	68 Å²	68	68.7 Å²	68.7	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-42.4	-179.8	-178.5	-87.9	0	0	0	112.7	P421 L424 A425 Q460 L464 L465 Q466 W491	P421-Y462 HydrophobicContact CB-CE2 4.2Å; L424-Y462 HydrophobicContact CB-CD2 3.98Å; L424-Y462 HydrophobicContact CB-CE2 4.47Å; L424-Y462 HydrophobicContact CD1-CD2 4.13Å; A425-Y462 HydrophobicContact CB-CE2 3.93Å; Q460-Y462 PolarHBondContact O-N 3.12Å; Y462-L464 VanDerWaalsContact C-N 3.31Å; Y462-L464 PolarHBondContact O-N 2.92Å; Y462-L465 PolarHBondContact O-N 3.35Å; Y462-Q466 WeakPolarHBondContact O-CB 3.43Å; Y462-Q466 PolarHBondContact O-N 3.13Å; Y462-W491 HydrophobicContact CE2-CH2 4.06Å; Y462-W491 AromaticContact CZ-CH2 3.94Å
463	E	96.2	Very high	96.6	Very high	97 Å²	97	72 Å²	72	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-33.6	-179	-158.2	-165.9	135.5	0	0	112.1	Q460 V461 R467	Q460-E463 PolarHBondContact O-N 3.48Å; Q460-E463 VanDerWaalsContact O-N 3.09Å; V461-E463 PolarHBondContact O-N 2.96Å; E463-R467 PolarHBondContact O-N 2.69Å; E463-R467 IonicContact OE1-CZ 2.89Å; E463-R467 IonicContact OE1-NH1 3.14Å; E463-R467 PolarHBondContact OE1-NH1 2.9Å; E463-R467 IonicContact OE1-NH2 3.6Å; E463-R467 PolarHBondContact OE1-NH2 2.9Å
464	L	97.4	Very high	96.5	Very high	43 Å²	43	72.6 Å²	72.6	23%	0.225	38%	0.378	C	S	.	.	H	α-helix	trans	-73.4	-47.3	173.6	-68.7	171.2	0	0	0	111.4	I456 Q460 V461 Y462 Q466 R467 Y469	I456-L464 HydrophobicContact CD1-CD1 3.98Å; I456-L464 HydrophobicContact CG1-CD1 4.17Å; I456-L464 HydrophobicContact CG2-CD1 3.68Å; Q460-L464 HydrophobicContact CB-CD1 4.21Å; Q460-L464 WeakPolarHBondContact O-CG 3.16Å; Q460-L464 PolarHBondContact O-N 3.31Å; V461-L464 PolarHBondContact O-N 2.69Å; Y462-L464 VanDerWaalsContact C-N 3.31Å; Y462-L464 PolarHBondContact O-N 2.92Å; L464-Q466 PolarHBondContact O-N 2.87Å; L464-R467 CarbonylContact O-C 3.56Å; L464-R467 WeakPolarHBondContact O-CA 3.38Å; L464-R467 PolarHBondContact O-N 2.82Å; L464-Y469 HydrophobicContact CB-CD1 4Å; L464-Y469 HydrophobicContact CB-CG 4.24Å; L464-Y469 WeakPolarHBondContact O-CB 3.34Å; L464-Y469 PolarHBondContact O-N 3.04Å; L464-Y469 VanDerWaalsContact O-N 3.14Å
465	L	97.5	Very high	96.5	Very high	2 Å²	2	75.4 Å²	75.4	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-56.5	-37	176.2	-70.3	174.8	0	0	0	112.1	W436 Y453 V461 Y462 R467 D468 Y469 R470 W491	W436-L465 HydrophobicContact CH2-CD1 4.16Å; W436-L465 HydrophobicContact CH2-CD2 3.89Å; W436-L465 HydrophobicContact CZ2-CD1 3.67Å; W436-L465 HydrophobicContact CZ2-CD2 3.82Å; W436-L465 HydrophobicContact CZ2-CG 4.35Å; Y453-L465 HydrophobicContact CE1-CD2 4.05Å; V461-L465 HydrophobicContact CG1-CD1 3.81Å; V461-L465 HydrophobicContact CG1-CG 4.26Å; V461-L465 WeakPolarHBondContact O-CB 3.31Å; V461-L465 VanDerWaalsContact O-CG 3.24Å; V461-L465 WeakPolarHBondContact O-CG 3.26Å; V461-L465 PolarHBondContact O-N 3.24Å; Y462-L465 PolarHBondContact O-N 3.35Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.07Å; L465-D468 WeakPolarHBondContact O-CA 3.44Å; L465-D468 PolarHBondContact O-N 2.71Å; L465-D468 VanDerWaalsContact O-N 3.08Å; L465-Y469 WeakPolarHBondContact CD2-O 3.33Å; L465-R470 PolarHBondContact O-NH1 2.85Å; L465-W491 HydrophobicContact CB-CZ3 4.2Å
466	Q	96.3	Very high	96.4	Very high	120 Å²	120	71.4 Å²	71.4	56%	0.561	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.8	176.1	-169.2	177.6	5.3	0	0	113.4	Y462 L464 W491	Y462-Q466 WeakPolarHBondContact O-CB 3.43Å; Y462-Q466 PolarHBondContact O-N 3.13Å; L464-Q466 PolarHBondContact O-N 2.87Å; Q466-W491 HydrophobicContact CB-CH2 3.8Å; Q466-W491 HydrophobicContact CB-CZ3 3.99Å; Q466-W491 HydrophobicContact CG-CH2 3.95Å; Q466-W491 HydrophobicContact CG-CZ2 4.38Å; Q466-W491 HydrophobicContact CG-CZ3 4.5Å
467	R	97.2	Very high	96.4	Very high	171 Å²	171	70.3 Å²	70.3	65%	0.645	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	19.8	169.7	-64.2	-175.2	-176.7	107.1	3.4	112.9	E463 L464 L465 Y469	E463-R467 PolarHBondContact O-N 2.69Å; E463-R467 IonicContact OE1-CZ 2.89Å; E463-R467 IonicContact OE1-NH1 3.14Å; E463-R467 PolarHBondContact OE1-NH1 2.9Å; E463-R467 IonicContact OE1-NH2 3.6Å; E463-R467 PolarHBondContact OE1-NH2 2.9Å; L464-R467 CarbonylContact O-C 3.56Å; L464-R467 WeakPolarHBondContact O-CA 3.38Å; L464-R467 PolarHBondContact O-N 2.82Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.07Å; R467-Y469 PolarHBondContact O-N 2.86Å
468	D	96.7	Very high	96.4	Very high	112 Å²	112	65.9 Å²	65.9	60%	0.599	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	18.5	-174.7	-145.7	43.7	0	0	0	116.3	L465 R470	L465-D468 WeakPolarHBondContact O-CA 3.44Å; L465-D468 PolarHBondContact O-N 2.71Å; L465-D468 VanDerWaalsContact O-N 3.08Å; D468-R470 IonicContact OD1-CZ 3.7Å; D468-R470 VanDerWaalsContact OD1-CZ 3.24Å; D468-R470 IonicContact OD1-NH1 2.87Å; D468-R470 PolarHBondContact OD1-NH1 2.81Å; D468-R470 IonicContact OD1-NH2 3.7Å; D468-R470 PolarHBondContact OD1-NH2 2.66Å
469	Y	97.9	Very high	96.6	Very high	73 Å²	73	65 Å²	65	29%	0.286	31%	0.309	S	S	.	.			trans	-61.6	139.8	166.8	169.7	-89.9	0	0	0	110	Y453 I456 L464 L465 R467	Y453-Y469 HydrophobicContact CD1-CE1 4.04Å; Y453-Y469 HydrophobicContact CE1-CE1 4.25Å; I456-Y469 HydrophobicContact CD1-CD1 4.44Å; I456-Y469 HydrophobicContact CD1-CE1 3.55Å; I456-Y469 WeakPolarHBondContact CD1-OH 3.49Å; L464-Y469 HydrophobicContact CB-CD1 4Å; L464-Y469 HydrophobicContact CB-CG 4.24Å; L464-Y469 WeakPolarHBondContact O-CB 3.34Å; L464-Y469 PolarHBondContact O-N 3.04Å; L464-Y469 VanDerWaalsContact O-N 3.14Å; L465-Y469 WeakPolarHBondContact CD2-O 3.33Å; R467-Y469 PolarHBondContact O-N 2.86Å
470	R	98.2	Very high	96.7	Very high	25 Å²	25	64.7 Å²	64.7	9%	0.094	29%	0.294	C	S	.	.			trans	-137	161.4	169.8	-61.8	-63.1	-178.6	-77.8	-15.5	108.9	L465 D468 W489	L465-R470 PolarHBondContact O-NH1 2.85Å; D468-R470 IonicContact OD1-CZ 3.7Å; D468-R470 VanDerWaalsContact OD1-CZ 3.24Å; D468-R470 IonicContact OD1-NH1 2.87Å; D468-R470 PolarHBondContact OD1-NH1 2.81Å; D468-R470 IonicContact OD1-NH2 3.7Å; D468-R470 PolarHBondContact OD1-NH2 2.66Å; R470-W489 HydrophobicContact CB-CE3 4.06Å; R470-W489 HydrophobicContact CB-CZ3 4.41Å; R470-W489 HydrophobicContact CG-CE3 4.32Å; R470-W489 PolarHBondContact NE-O 3.01Å; R470-W489 PolarHBondContact NH2-O 2.69Å
471	M	98.3	Very high	96.8	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-60.9	141.6	174.8	-61.4	-172.8	-69.3	0	0	110.7	V440 W443 P452 Y453 Y482 W489	V440-M471 HydrophobicContact CG1-CE 4.31Å; W443-M471 HydrophobicContact CB-CE 3.74Å; W443-M471 HydrophobicContact CD2-CE 3.74Å; W443-M471 HydrophobicContact CD2-SD 3.79Å; W443-M471 HydrophobicContact CE3-CE 4.24Å; W443-M471 HydrophobicContact CE3-SD 4.1Å; W443-M471 HydrophobicContact CG-CE 3.51Å; W443-M471 HydrophobicContact CG-SD 4.17Å; W443-M471 HydrophobicContact CZ2-SD 4.21Å; W443-M471 HydrophobicContact CZ3-SD 4.46Å; P452-M471 HydrophobicContact CB-CE 4.15Å; P452-M471 HydrophobicContact CB-SD 3.67Å; Y453-M471 HydrophobicContact CD1-CG 3.86Å; Y453-M471 HydrophobicContact CD1-SD 4.42Å; Y453-M471 HydrophobicContact CD2-CG 4.34Å; Y453-M471 HydrophobicContact CD2-SD 3.85Å; Y453-M471 HydrophobicContact CE1-CG 3.82Å; Y453-M471 HydrophobicContact CE1-SD 4.49Å; Y453-M471 HydrophobicContact CE2-CE 4.21Å; Y453-M471 HydrophobicContact CE2-CG 4.28Å; Y453-M471 HydrophobicContact CE2-SD 3.9Å; Y453-M471 HydrophobicContact CG-CG 4.11Å; Y453-M471 HydrophobicContact CG-SD 4.09Å; Y453-M471 PolarHBondContact N-SD 3.28Å; M471-Y482 WeakPolarHBondContact O-CE2 3.45Å; M471-Y482 PolarHBondContact O-OH 3.45Å; M471-Y482 VanDerWaalsContact O-OH 3.08Å; M471-W489 HydrophobicContact CB-CH2 4.22Å; M471-W489 HydrophobicContact CB-CZ3 4.43Å; M471-W489 HydrophobicContact CE-CH2 3.54Å; M471-W489 HydrophobicContact CE-CZ2 3.38Å
472	E	97.6	Very high	96.9	Very high	154 Å²	154	62.6 Å²	62.6	72%	0.72	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-65.1	157.4	178.5	-62.3	-178.4	-176.6	0	0	112.4	W443 P474	W443-E472 PolarHBondContact NE1-O 2.84Å; W443-E472 VanDerWaalsContact NE1-O 3.12Å; E472-P474 WeakPolarHBondContact O-CD 3.35Å
473	R	98.1	Very high	97	Very high	71 Å²	71	64.8 Å²	64.8	27%	0.268	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-61.4	123.4	174.7	-179.7	151.8	69.3	80.1	-11.6	109.8	C477 E479 Y482 E522	R473-C477 WeakPolarHBondContact CD-O 3.33Å; R473-C477 HydrophobicContact CG-CB 4.06Å; R473-C477 PolarHBondContact NH1-O 3.45Å; R473-E479 IonicContact CZ-OE2 3.75Å; R473-E479 VanDerWaalsContact NE-CD 3.32Å; R473-E479 IonicContact NE-OE1 2.65Å; R473-E479 PolarHBondContact NE-OE1 3.12Å; R473-E479 IonicContact NE-OE2 2.8Å; R473-E479 PolarHBondContact NE-OE2 3.19Å; R473-E479 IonicContact NH2-OE2 3.21Å; R473-E479 PolarHBondContact NH2-OE2 2.88Å; R473-Y482 HydrophobicContact CB-CD1 3.78Å; R473-Y482 HydrophobicContact CB-CD2 3.87Å; R473-Y482 HydrophobicContact CB-CE1 3.92Å; R473-Y482 HydrophobicContact CB-CE2 4.04Å; R473-Y482 HydrophobicContact CB-CG 3.73Å; R473-Y482 VanDerWaalsContact CD-CB 3.43Å; R473-Y482 HydrophobicContact CG-CD1 4.16Å; R473-Y482 HydrophobicContact CG-CD2 4.24Å; R473-Y482 HydrophobicContact CG-CG 3.84Å; R473-E522 IonicContact CZ-OE2 3.83Å; R473-E522 IonicContact NH1-OE2 3.54Å; R473-E522 PolarHBondContact NH1-OE2 3.31Å; R473-E522 IonicContact NH2-OE2 3.29Å; R473-E522 PolarHBondContact NH2-OE2 3.01Å
474	P	97.4	Very high	97.1	Very high	13 Å²	13	60.9 Å²	60.9	8%	0.084	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-58.4	153.6	176.8	-25.4	34.5	0	0	0	113	W443 A446 T447 E472 G476 C477	W443-P474 HydrophobicContact CG-CG 4.28Å; A446-P474 HydrophobicContact CB-CB 4.31Å; A446-P474 HydrophobicContact CB-CG 4.04Å; T447-P474 HydrophobicContact CG2-CB 3.75Å; T447-P474 HydrophobicContact CG2-CG 3.76Å; E472-P474 WeakPolarHBondContact O-CD 3.35Å; P474-G476 PolarHBondContact O-N 3.28Å; P474-C477 HydrophobicContact CB-CB 3.89Å; P474-C477 HydrophobicContact CG-CB 4.27Å; P474-C477 VanDerWaalsContact O-CB 3.22Å; P474-C477 WeakPolarHBondContact O-CB 3.45Å; P474-C477 PolarHBondContact O-N 3.14Å; P474-C477 VanDerWaalsContact O-N 3.11Å
475	E	94.7	Very high	97.2	Very high	130 Å²	130	58.9 Å²	58.9	61%	0.607	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	131.8	176.1	-179.8	141.1	-120.1	0	0	111.5	C477 L523 K526	E475-C477 PolarHBondContact O-N 3Å; E475-C477 VanDerWaalsContact O-N 3.15Å; E475-L523 HydrophobicContact CG-CD2 3.86Å; E475-K526 WeakPolarHBondContact OE1-CD 3.42Å; E475-K526 WeakPolarHBondContact OE1-CE 3.39Å; E475-K526 IonicContact OE1-NZ 2.75Å; E475-K526 PolarHBondContact OE1-NZ 2.88Å; E475-K526 IonicContact OE2-NZ 3.81Å
476	G	93.4	Very high	97.2	Very high	10 Å²	10	64.6 Å²	64.6	10%	0.103	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-11.4	-175	0	0	0	0	0	115.5	P474 P478 V519	P474-G476 PolarHBondContact O-N 3.28Å; G476-P478 WeakPolarHBondContact O-CD 3.33Å; G476-V519 WeakPolarHBondContact O-CG2 3.23Å
477	C	97	Very high	97.4	Very high	7 Å²	7	60.2 Å²	60.2	5%	0.047	28%	0.275	C	S	.	.			trans	-64.8	123.1	-178.8	-178.1	0	0	0	0	111.3	R473 P474 E475	R473-C477 WeakPolarHBondContact CD-O 3.33Å; R473-C477 HydrophobicContact CG-CB 4.06Å; R473-C477 PolarHBondContact NH1-O 3.45Å; P474-C477 HydrophobicContact CB-CB 3.89Å; P474-C477 HydrophobicContact CG-CB 4.27Å; P474-C477 VanDerWaalsContact O-CB 3.22Å; P474-C477 WeakPolarHBondContact O-CB 3.45Å; P474-C477 PolarHBondContact O-N 3.14Å; P474-C477 VanDerWaalsContact O-N 3.11Å; E475-C477 PolarHBondContact O-N 3Å; E475-C477 VanDerWaalsContact O-N 3.15Å
478	P	96.4	Very high	97.4	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.045	24%	0.244	C	C	.	.			trans	-61.8	141.9	177.7	-23.3	34.7	0	0	0	112.2	G476 K480 V481 Y482 F510 I515 E518 V519	G476-P478 WeakPolarHBondContact O-CD 3.33Å; P478-K480 VanDerWaalsContact C-N 3.3Å; P478-K480 PolarHBondContact O-N 2.86Å; P478-V481 HydrophobicContact CB-CG2 4.2Å; P478-V481 HydrophobicContact CG-CG2 4.34Å; P478-V481 PolarHBondContact O-N 2.77Å; P478-Y482 PolarHBondContact O-N 2.86Å; P478-F510 HydrophobicContact CB-CE1 4.49Å; P478-F510 HydrophobicContact CB-CZ 4.33Å; P478-F510 HydrophobicContact CG-CZ 4.36Å; P478-I515 HydrophobicContact CG-CG1 4.11Å; P478-E518 HydrophobicContact CB-CB 4.2Å; P478-E518 HydrophobicContact CG-CB 4.19Å; P478-V519 HydrophobicContact CG-CG2 3.8Å
479	E	96.3	Very high	97.5	Very high	72 Å²	72	46.8 Å²	46.8	34%	0.336	22%	0.216	S	C	.	.	H	α-helix	trans	-55.8	-42.2	-175	-161.2	70.3	-116.8	0	0	112.3	R473 V481 Y482 E483	R473-E479 IonicContact CZ-OE2 3.75Å; R473-E479 VanDerWaalsContact NE-CD 3.32Å; R473-E479 IonicContact NE-OE1 2.65Å; R473-E479 PolarHBondContact NE-OE1 3.12Å; R473-E479 IonicContact NE-OE2 2.8Å; R473-E479 PolarHBondContact NE-OE2 3.19Å; R473-E479 IonicContact NH2-OE2 3.21Å; R473-E479 PolarHBondContact NH2-OE2 2.88Å; E479-V481 VanDerWaalsContact C-N 3.25Å; E479-V481 PolarHBondContact O-N 2.79Å; E479-Y482 CarbonylContact O-C 3.59Å; E479-Y482 PolarHBondContact O-N 2.7Å; E479-Y482 WeakPolarHBondContact OE1-CD1 3.46Å; E479-E483 HydrophobicContact CG-CG 4.41Å; E479-E483 WeakPolarHBondContact O-CG 3.27Å; E479-E483 PolarHBondContact O-N 2.77Å
480	K	96.6	Very high	97.6	Very high	97 Å²	97	49.7 Å²	49.7	42%	0.422	23%	0.226	S	C	.	.	H	α-helix	trans	-54.6	-36.5	176.7	-63.8	-178.1	177.6	175.9	0	113.6	P478 L484 M509	P478-K480 VanDerWaalsContact C-N 3.3Å; P478-K480 PolarHBondContact O-N 2.86Å; K480-L484 PolarHBondContact O-N 2.96Å; K480-M509 HydrophobicContact CB-CE 4.46Å; K480-M509 HydrophobicContact CB-CG 3.68Å; K480-M509 HydrophobicContact CB-SD 3.67Å; K480-M509 HydrophobicContact CD-CG 3.63Å; K480-M509 WeakPolarHBondContact CD-O 3.46Å; K480-M509 HydrophobicContact CG-CG 4.31Å; K480-M509 PolarHBondContact NZ-O 3.41Å
481	V	97.6	Very high	97.6	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-73.4	-38.6	179.2	-175	0	0	0	0	110.1	P478 E479 L484 M485 M509 F510	P478-V481 HydrophobicContact CB-CG2 4.2Å; P478-V481 HydrophobicContact CG-CG2 4.34Å; P478-V481 PolarHBondContact O-N 2.77Å; E479-V481 VanDerWaalsContact C-N 3.25Å; E479-V481 PolarHBondContact O-N 2.79Å; V481-L484 WeakPolarHBondContact O-CB 3.49Å; V481-L484 PolarHBondContact O-N 3.32Å; V481-M485 HydrophobicContact CG1-CE 4.1Å; V481-M485 WeakPolarHBondContact O-CG 3.38Å; V481-M485 PolarHBondContact O-N 2.93Å; V481-M509 HydrophobicContact CB-SD 4.43Å; V481-M509 HydrophobicContact CG2-SD 3.55Å; V481-M509 VanDerWaalsContact CG2-SD 3.55Å; V481-F510 HydrophobicContact CG2-CE2 4.46Å; V481-F510 HydrophobicContact CG2-CZ 4.11Å
482	Y	98.5	Very high	97.5	Very high	27 Å²	27	55.7 Å²	55.7	11%	0.106	25%	0.254	C	S	.	.	H	α-helix	trans	-73.6	-32.5	176.1	179.8	-114.6	0	0	0	113.2	M471 R473 P478 E479 L484 M485 R486 W489	M471-Y482 WeakPolarHBondContact O-CE2 3.45Å; M471-Y482 PolarHBondContact O-OH 3.45Å; M471-Y482 VanDerWaalsContact O-OH 3.08Å; R473-Y482 HydrophobicContact CB-CD1 3.78Å; R473-Y482 HydrophobicContact CB-CD2 3.87Å; R473-Y482 HydrophobicContact CB-CE1 3.92Å; R473-Y482 HydrophobicContact CB-CE2 4.04Å; R473-Y482 HydrophobicContact CB-CG 3.73Å; R473-Y482 VanDerWaalsContact CD-CB 3.43Å; R473-Y482 HydrophobicContact CG-CD1 4.16Å; R473-Y482 HydrophobicContact CG-CD2 4.24Å; R473-Y482 HydrophobicContact CG-CG 3.84Å; P478-Y482 PolarHBondContact O-N 2.86Å; E479-Y482 CarbonylContact O-C 3.59Å; E479-Y482 PolarHBondContact O-N 2.7Å; E479-Y482 WeakPolarHBondContact OE1-CD1 3.46Å; Y482-L484 VanDerWaalsContact C-N 3.27Å; Y482-L484 PolarHBondContact O-N 2.72Å; Y482-M485 HydrophobicContact CD2-CB 4.44Å; Y482-M485 HydrophobicContact CD2-SD 4.03Å; Y482-M485 WeakPolarHBondContact O-CB 3.42Å; Y482-M485 PolarHBondContact O-N 2.87Å; Y482-R486 HydrophobicContact CD1-CG 4.19Å; Y482-R486 HydrophobicContact CD2-CG 4.49Å; Y482-R486 HydrophobicContact CE1-CG 3.94Å; Y482-R486 HydrophobicContact CE2-CG 4.23Å; Y482-R486 HydrophobicContact CG-CG 4.48Å; Y482-R486 WeakPolarHBondContact O-CB 3.4Å; Y482-R486 WeakPolarHBondContact O-CG 3.47Å; Y482-R486 PolarHBondContact O-N 2.8Å; Y482-W489 HydrophobicContact CE2-CZ3 4.28Å
483	E	98.4	Very high	97.5	Very high	113 Å²	113	50.2 Å²	50.2	53%	0.528	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-38.8	169.3	-73.5	179.6	146.6	0	0	111.1	E479 R486 A487	E479-E483 HydrophobicContact CG-CG 4.41Å; E479-E483 WeakPolarHBondContact O-CG 3.27Å; E479-E483 PolarHBondContact O-N 2.77Å; E483-R486 PolarHBondContact O-N 3.19Å; E483-A487 WeakPolarHBondContact O-CB 3.14Å; E483-A487 PolarHBondContact O-N 3.12Å
484	L	98.4	Very high	97.4	Very high	16 Å²	16	52 Å²	52	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-44.1	172.3	-173.6	57.6	0	0	0	112	L442 K480 V481 Y482 R486 A487 C488 T502 A505 F506 M509	L442-L484 HydrophobicContact CD1-CD2 4.42Å; L442-L484 HydrophobicContact CD1-CG 4.41Å; K480-L484 PolarHBondContact O-N 2.96Å; V481-L484 WeakPolarHBondContact O-CB 3.49Å; V481-L484 PolarHBondContact O-N 3.32Å; Y482-L484 VanDerWaalsContact C-N 3.27Å; Y482-L484 PolarHBondContact O-N 2.72Å; L484-R486 VanDerWaalsContact C-N 3.3Å; L484-R486 PolarHBondContact O-N 3.24Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 2.96Å; L484-A487 VanDerWaalsContact O-N 3.15Å; L484-C488 PolarHBondContact O-N 3.09Å; L484-C488 PolarHBondContact O-SG 2.95Å; L484-C488 VanDerWaalsContact O-SG 3.36Å; L484-T502 HydrophobicContact CD1-CG2 4.32Å; L484-T502 HydrophobicContact CD2-CG2 4.25Å; L484-A505 HydrophobicContact CD2-CB 4.39Å; L484-F506 HydrophobicContact CD2-CD1 4.41Å; L484-F506 HydrophobicContact CD2-CD2 4.32Å; L484-F506 HydrophobicContact CD2-CE1 3.85Å; L484-F506 HydrophobicContact CD2-CE2 3.73Å; L484-F506 HydrophobicContact CD2-CZ 3.46Å; L484-F506 VanDerWaalsContact CD2-CZ 3.46Å; L484-M509 HydrophobicContact CD2-CE 3.97Å
485	M	98.7	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-44.2	171.1	-61.6	178.4	-162.5	0	0	111.7	L442 W443 A446 V481 Y482 A487 C488 W489	L442-M485 HydrophobicContact CB-CE 4.07Å; L442-M485 HydrophobicContact CB-CG 3.96Å; L442-M485 HydrophobicContact CD1-CG 4.27Å; W443-M485 HydrophobicContact CB-CE 4.49Å; W443-M485 HydrophobicContact CB-SD 3.99Å; W443-M485 HydrophobicContact CG-SD 4.46Å; A446-M485 HydrophobicContact CB-CE 3.84Å; V481-M485 HydrophobicContact CG1-CE 4.1Å; V481-M485 WeakPolarHBondContact O-CG 3.38Å; V481-M485 PolarHBondContact O-N 2.93Å; Y482-M485 HydrophobicContact CD2-CB 4.44Å; Y482-M485 HydrophobicContact CD2-SD 4.03Å; Y482-M485 WeakPolarHBondContact O-CB 3.42Å; Y482-M485 PolarHBondContact O-N 2.87Å; M485-A487 VanDerWaalsContact C-N 3.33Å; M485-A487 PolarHBondContact O-N 3.13Å; M485-C488 WeakPolarHBondContact O-CB 3.31Å; M485-C488 PolarHBondContact O-N 2.88Å; M485-W489 HydrophobicContact CB-CE3 4.2Å; M485-W489 HydrophobicContact CB-CH2 3.82Å; M485-W489 HydrophobicContact CB-CZ2 4.15Å; M485-W489 HydrophobicContact CB-CZ3 3.86Å; M485-W489 HydrophobicContact CG-CH2 4.36Å; M485-W489 VanDerWaalsContact O-CD2 3.25Å; M485-W489 VanDerWaalsContact O-CG 3.28Å; M485-W489 PolarHBondContact O-N 3.13Å; M485-W489 HydrophobicContact SD-CH2 4.01Å
486	R	98.7	Very high	97.7	Very high	122 Å²	122	50 Å²	50	46%	0.46	25%	0.245	S	C	.	.	H	α-helix	trans	-65.3	-33.2	178.1	-67.5	-102.5	-60.7	-66.1	-0.2	112.5	Y482 E483 L484 W489 R490	Y482-R486 HydrophobicContact CD1-CG 4.19Å; Y482-R486 HydrophobicContact CD2-CG 4.49Å; Y482-R486 HydrophobicContact CE1-CG 3.94Å; Y482-R486 HydrophobicContact CE2-CG 4.23Å; Y482-R486 HydrophobicContact CG-CG 4.48Å; Y482-R486 WeakPolarHBondContact O-CB 3.4Å; Y482-R486 WeakPolarHBondContact O-CG 3.47Å; Y482-R486 PolarHBondContact O-N 2.8Å; E483-R486 PolarHBondContact O-N 3.19Å; L484-R486 VanDerWaalsContact C-N 3.3Å; L484-R486 PolarHBondContact O-N 3.24Å; R486-W489 CarbonylContact O-C 3.58Å; R486-W489 PolarHBondContact O-N 2.97Å; R486-R490 PolarHBondContact O-N 3.01Å
487	A	98.7	Very high	97.9	Very high	29 Å²	29	50.5 Å²	50.5	24%	0.24	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-42.3	172.8	0	0	0	0	0	111.7	E483 L484 M485 W489 R490 P497	E483-A487 WeakPolarHBondContact O-CB 3.14Å; E483-A487 PolarHBondContact O-N 3.12Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 2.96Å; L484-A487 VanDerWaalsContact O-N 3.15Å; M485-A487 VanDerWaalsContact C-N 3.33Å; M485-A487 PolarHBondContact O-N 3.13Å; A487-W489 VanDerWaalsContact C-N 3.25Å; A487-W489 PolarHBondContact O-N 3.26Å; A487-R490 VanDerWaalsContact O-CG 3.27Å; A487-R490 WeakPolarHBondContact O-CG 3.33Å; A487-R490 PolarHBondContact O-N 3.45Å; A487-P497 HydrophobicContact CB-CG 4.37Å; A487-P497 WeakPolarHBondContact O-CD 3.44Å
488	C	98.8	Very high	98	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-34.8	170.9	-67.6	0	0	0	0	112.5	V435 L484 M485 R496	V435-C488 HydrophobicContact CG1-CB 4.16Å; V435-C488 WeakPolarHBondContact O-CB 3.16Å; L484-C488 PolarHBondContact O-N 3.09Å; L484-C488 PolarHBondContact O-SG 2.95Å; L484-C488 VanDerWaalsContact O-SG 3.36Å; M485-C488 WeakPolarHBondContact O-CB 3.31Å; M485-C488 PolarHBondContact O-N 2.88Å; C488-R496 VanDerWaalsContact O-CD 3.27Å; C488-R496 WeakPolarHBondContact O-CD 3.27Å; C488-R496 WeakPolarHBondContact O-CG 3.45Å
489	W	98.7	Very high	98.1	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	27.3	178.5	-51.8	-38.1	0	0	0	115.2	W436 G439 V440 W443 R470 M471 Y482 M485 R486 A487	W436-W489 AromaticContact CD2-CD1 3.92Å; W436-W489 AromaticContact CE2-CD1 3.99Å; W436-W489 HydrophobicContact CE3-CB 4.17Å; W436-W489 HydrophobicContact CH2-CB 4.09Å; W436-W489 HydrophobicContact CZ3-CB 3.88Å; W436-W489 WeakPolarHBondContact CZ3-O 3.38Å; W436-W489 PolarHBondContact O-NE1 2.8Å; G439-W489 VanDerWaalsContact C-NE1 3.31Å; G439-W489 WeakPolarHBondContact O-CZ2 3.34Å; V440-W489 HydrophobicContact CG2-CZ2 4.42Å; W443-W489 HydrophobicContact CB-CH2 4.16Å; W443-W489 HydrophobicContact CB-CZ2 4.17Å; W443-W489 AromaticContact CD1-CH2 3.99Å; W443-W489 HydrophobicContact CG-CH2 4.32Å; R470-W489 HydrophobicContact CB-CE3 4.06Å; R470-W489 HydrophobicContact CB-CZ3 4.41Å; R470-W489 HydrophobicContact CG-CE3 4.32Å; R470-W489 PolarHBondContact NE-O 3.01Å; R470-W489 PolarHBondContact NH2-O 2.69Å; M471-W489 HydrophobicContact CB-CH2 4.22Å; M471-W489 HydrophobicContact CB-CZ3 4.43Å; M471-W489 HydrophobicContact CE-CH2 3.54Å; M471-W489 HydrophobicContact CE-CZ2 3.38Å; Y482-W489 HydrophobicContact CE2-CZ3 4.28Å; M485-W489 HydrophobicContact CB-CE3 4.2Å; M485-W489 HydrophobicContact CB-CH2 3.82Å; M485-W489 HydrophobicContact CB-CZ2 4.15Å; M485-W489 HydrophobicContact CB-CZ3 3.86Å; M485-W489 HydrophobicContact CG-CH2 4.36Å; M485-W489 VanDerWaalsContact O-CD2 3.25Å; M485-W489 VanDerWaalsContact O-CG 3.28Å; M485-W489 PolarHBondContact O-N 3.13Å; M485-W489 HydrophobicContact SD-CH2 4.01Å; R486-W489 CarbonylContact O-C 3.58Å; R486-W489 PolarHBondContact O-N 2.97Å; A487-W489 VanDerWaalsContact C-N 3.25Å; A487-W489 PolarHBondContact O-N 3.26Å
490	R	98.6	Very high	98.1	Very high	134 Å²	134	49.3 Å²	49.3	51%	0.506	25%	0.248	S	C	.	.			trans	-61.4	137.7	165.3	-69.9	-76.2	178.3	-175.9	-1	109.9	R486 A487 E495 R496	R486-R490 PolarHBondContact O-N 3.01Å; A487-R490 VanDerWaalsContact O-CG 3.27Å; A487-R490 WeakPolarHBondContact O-CG 3.33Å; A487-R490 PolarHBondContact O-N 3.45Å; R490-E495 HydrophobicContact CB-CB 3.7Å; R490-E495 HydrophobicContact CG-CB 3.9Å; R490-R496 HydrophobicContact CB-CG 3.9Å; R490-R496 PolarHBondContact O-NE 3.16Å; R490-R496 PolarHBondContact O-NH2 3.22Å
491	W	98	Very high	98.1	Very high	79 Å²	79	50.2 Å²	50.2	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	-61.6	-53.2	-177.6	178.7	-92.6	0	0	0	110.9	P421 Y462 L465 Q466 R496	P421-W491 HydrophobicContact CB-CD2 4.45Å; P421-W491 HydrophobicContact CB-CE3 3.98Å; P421-W491 HydrophobicContact CB-CH2 3.77Å; P421-W491 HydrophobicContact CB-CZ2 4.25Å; P421-W491 HydrophobicContact CB-CZ3 3.61Å; P421-W491 HydrophobicContact CG-CE3 3.87Å; P421-W491 HydrophobicContact CG-CH2 4.46Å; P421-W491 HydrophobicContact CG-CZ3 3.81Å; Y462-W491 HydrophobicContact CE2-CH2 4.06Å; Y462-W491 AromaticContact CZ-CH2 3.94Å; L465-W491 HydrophobicContact CB-CZ3 4.2Å; Q466-W491 HydrophobicContact CB-CH2 3.8Å; Q466-W491 HydrophobicContact CB-CZ3 3.99Å; Q466-W491 HydrophobicContact CG-CH2 3.95Å; Q466-W491 HydrophobicContact CG-CZ2 4.38Å; Q466-W491 HydrophobicContact CG-CZ3 4.5Å; W491-R496 PolarHBondContact O-NH2 2.92Å
492	N	97.6	Very high	98.1	Very high	72 Å²	72	49.5 Å²	49.5	39%	0.385	25%	0.25	S	C	.	.	S	Bend	trans	-72.4	126.1	176.9	-64.4	-36.8	0	0	0	110.5	S494 E495	N492-S494 PolarHBondContact O-N 2.91Å; N492-E495 HydrophobicContact CB-CB 4.48Å; N492-E495 HydrophobicContact CB-CG 4.05Å; N492-E495 PolarHBondContact ND2-OE1 2.83Å; N492-E495 PolarHBondContact O-N 3.29Å
493	P	97.4	Very high	98	Very high	40 Å²	40	50.1 Å²	50.1	26%	0.26	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.6	-30.4	-177.9	-25.9	34.8	0	0	0	114.4	E422 K432 E495 R496	E422-P493 HydrophobicContact CB-CG 4.47Å; E422-P493 HydrophobicContact CG-CG 3.92Å; K432-P493 HydrophobicContact CB-CB 3.8Å; K432-P493 WeakPolarHBondContact CB-O 3.44Å; K432-P493 WeakPolarHBondContact CD-O 3.36Å; K432-P493 WeakPolarHBondContact CG-O 3.45Å; P493-E495 VanDerWaalsContact C-N 3.29Å; P493-E495 PolarHBondContact O-N 2.8Å; P493-R496 PolarHBondContact O-N 3.03Å
494	S	96.5	Very high	97.7	Very high	108 Å²	108	49.5 Å²	49.5	76%	0.755	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-71.7	-15.8	177.8	53.3	0	0	0	0	114.7	N492	N492-S494 PolarHBondContact O-N 2.91Å
495	E	98.1	Very high	97.5	Very high	97 Å²	97	50.1 Å²	50.1	45%	0.453	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-89.7	-10.1	176	-69.9	170.5	-154.9	0	0	112.8	R490 N492 P493	R490-E495 HydrophobicContact CB-CB 3.7Å; R490-E495 HydrophobicContact CG-CB 3.9Å; N492-E495 HydrophobicContact CB-CB 4.48Å; N492-E495 HydrophobicContact CB-CG 4.05Å; N492-E495 PolarHBondContact ND2-OE1 2.83Å; N492-E495 PolarHBondContact O-N 3.29Å; P493-E495 VanDerWaalsContact C-N 3.29Å; P493-E495 PolarHBondContact O-N 2.8Å
496	R	98.6	Very high	97.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.015	26%	0.258	C	S	.	.	S	Bend	trans	-79	143.9	177.7	-55.8	173.2	-165.1	153.8	10.3	109.2	E422 K432 V435 C488 R490 W491 P493	E422-R496 IonicContact OE1-CZ 3.91Å; E422-R496 IonicContact OE1-NH1 3.65Å; E422-R496 PolarHBondContact OE1-NH1 3.41Å; E422-R496 IonicContact OE1-NH2 3.16Å; E422-R496 IonicContact OE2-CZ 2.59Å; E422-R496 IonicContact OE2-NH1 2.73Å; E422-R496 PolarHBondContact OE2-NH1 2.87Å; E422-R496 IonicContact OE2-NH2 2.84Å; E422-R496 PolarHBondContact OE2-NH2 3.18Å; K432-R496 HydrophobicContact CD-CB 4.3Å; K432-R496 PolarHBondContact NZ-O 2.72Å; K432-R496 VanDerWaalsContact O-CD 3.31Å; K432-R496 WeakPolarHBondContact O-CD 3.36Å; K432-R496 PolarHBondContact O-NH1 3.06Å; V435-R496 HydrophobicContact CG1-CB 4.01Å; C488-R496 VanDerWaalsContact O-CD 3.27Å; C488-R496 WeakPolarHBondContact O-CD 3.27Å; C488-R496 WeakPolarHBondContact O-CG 3.45Å; R490-R496 HydrophobicContact CB-CG 3.9Å; R490-R496 PolarHBondContact O-NE 3.16Å; R490-R496 PolarHBondContact O-NH2 3.22Å; W491-R496 PolarHBondContact O-NH2 2.92Å; P493-R496 PolarHBondContact O-N 3.03Å
497	P	98.3	Very high	96.7	Very high	21 Å²	21	45.8 Å²	45.8	14%	0.136	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-60.8	161.6	176.3	27.5	-35.3	0	0	0	111.7	K432 V435 A487 E501	K432-P497 PolarHBondContact NZ-O 3.17Å; V435-P497 HydrophobicContact CG1-CG 4.18Å; A487-P497 HydrophobicContact CB-CG 4.37Å; A487-P497 WeakPolarHBondContact O-CD 3.44Å; P497-E501 HydrophobicContact CB-CB 4.15Å
498	S	98.3	Very high	96.2	Very high	22 Å²	22	47.4 Å²	47.4	15%	0.154	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-72.7	165.8	161.3	57.8	0	0	0	0	110.3	E368 K432 A500 E501 T502	E368-S498 WeakPolarHBondContact OE1-CA 3.42Å; E368-S498 WeakPolarHBondContact OE1-CB 3.44Å; E368-S498 WeakPolarHBondContact OE2-CB 3.44Å; K432-S498 VanDerWaalsContact NZ-N 3.17Å; S498-A500 VanDerWaalsContact C-N 3.32Å; S498-E501 WeakPolarHBondContact CB-OE2 3.34Å; S498-E501 PolarHBondContact N-OE2 2.68Å; S498-E501 WeakPolarHBondContact OG-CB 3.31Å; S498-E501 VanDerWaalsContact OG-CD 3.24Å; S498-E501 WeakPolarHBondContact OG-CG 3.27Å; S498-E501 PolarHBondContact OG-N 3.29Å; S498-E501 PolarHBondContact OG-OE2 2.83Å; S498-T502 WeakPolarHBondContact O-CB 3.25Å; S498-T502 PolarHBondContact O-N 3.38Å; S498-T502 PolarHBondContact O-OG1 2.93Å
499	F	98.3	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-32.6	171	-80	-70.2	0	0	0	111.9	M364 E365 E368 L377 I431 D434 V435 F438 T502 H503	M364-F499 HydrophobicContact CB-CB 4.23Å; M364-F499 HydrophobicContact CB-CD1 3.31Å; M364-F499 HydrophobicContact CB-CD2 3.77Å; M364-F499 HydrophobicContact CB-CE1 3.39Å; M364-F499 HydrophobicContact CB-CE2 3.84Å; M364-F499 HydrophobicContact CB-CG 3.5Å; M364-F499 VanDerWaalsContact CB-CG 3.5Å; M364-F499 HydrophobicContact CB-CZ 3.65Å; M364-F499 HydrophobicContact CE-CD2 4.42Å; M364-F499 HydrophobicContact CE-CE2 3.68Å; M364-F499 HydrophobicContact CE-CZ 3.79Å; M364-F499 HydrophobicContact CG-CD1 4.21Å; M364-F499 HydrophobicContact CG-CE1 3.79Å; M364-F499 HydrophobicContact CG-CE2 4.42Å; M364-F499 HydrophobicContact CG-CZ 3.89Å; E365-F499 HydrophobicContact CB-CB 4.15Å; E368-F499 HydrophobicContact CB-CB 4.44Å; E368-F499 HydrophobicContact CB-CD2 4.46Å; E368-F499 PolarHBondContact OE1-N 2.82Å; E368-F499 WeakPolarHBondContact OE2-CA 3.5Å; E368-F499 WeakPolarHBondContact OE2-CB 3.41Å; E368-F499 PolarHBondContact OE2-N 2.98Å; L377-F499 HydrophobicContact CD2-CZ 4.33Å; I431-F499 HydrophobicContact CD1-CD2 3.73Å; I431-F499 HydrophobicContact CD1-CE2 3.69Å; I431-F499 HydrophobicContact CG1-CD2 3.74Å; I431-F499 HydrophobicContact CG1-CE2 3.91Å; D434-F499 HydrophobicContact CB-CE2 4.02Å; D434-F499 HydrophobicContact CB-CZ 4.2Å; V435-F499 HydrophobicContact CB-CE2 4.37Å; V435-F499 HydrophobicContact CB-CZ 4.28Å; V435-F499 HydrophobicContact CG2-CD1 4.43Å; V435-F499 HydrophobicContact CG2-CD2 3.68Å; V435-F499 HydrophobicContact CG2-CE1 4.2Å; V435-F499 HydrophobicContact CG2-CE2 3.4Å; V435-F499 VanDerWaalsContact CG2-CE2 3.4Å; V435-F499 HydrophobicContact CG2-CG 4.21Å; V435-F499 HydrophobicContact CG2-CZ 3.7Å; F438-F499 HydrophobicContact CB-CE1 3.66Å; F438-F499 HydrophobicContact CB-CZ 3.94Å; F438-F499 HydrophobicContact CD1-CE1 4.13Å; F438-F499 HydrophobicContact CD2-CE1 4.06Å; F438-F499 AromaticContact CG-CE1 3.68Å; F438-F499 HydrophobicContact CG-CE1 3.68Å; F438-F499 HydrophobicContact CG-CZ 4.45Å; F499-T502 WeakPolarHBondContact O-CB 3.1Å; F499-T502 PolarHBondContact O-N 2.83Å; F499-T502 VanDerWaalsContact O-N 3.17Å; F499-H503 WeakPolarHBondContact O-CB 3.16Å; F499-H503 PolarHBondContact O-N 2.87Å
500	A	96.8	Very high	95.3	Very high	38 Å²	38	48.2 Å²	48.2	31%	0.314	25%	0.254	S	S	.	.	H	α-helix	trans	-58	-48.4	170.4	0	0	0	0	0	112.5	E365 E368 S498 T502 Q504	E365-A500 HydrophobicContact CG-CB 3.99Å; E368-A500 PolarHBondContact OE2-N 2.89Å; E368-A500 VanDerWaalsContact OE2-N 3.16Å; S498-A500 VanDerWaalsContact C-N 3.32Å; A500-T502 VanDerWaalsContact C-N 3.29Å; A500-T502 PolarHBondContact O-N 2.65Å; A500-Q504 VanDerWaalsContact O-CB 3.24Å; A500-Q504 WeakPolarHBondContact O-CB 3.41Å; A500-Q504 PolarHBondContact O-N 2.94Å
501	E	97.4	Very high	94.5	Very high	117 Å²	117	46.7 Å²	46.7	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-36.1	174.2	-72.9	161.1	132.6	0	0	111.9	P497 S498 A505	P497-E501 HydrophobicContact CB-CB 4.15Å; S498-E501 WeakPolarHBondContact CB-OE2 3.34Å; S498-E501 PolarHBondContact N-OE2 2.68Å; S498-E501 WeakPolarHBondContact OG-CB 3.31Å; S498-E501 VanDerWaalsContact OG-CD 3.24Å; S498-E501 WeakPolarHBondContact OG-CG 3.27Å; S498-E501 PolarHBondContact OG-N 3.29Å; S498-E501 PolarHBondContact OG-OE2 2.83Å; E501-A505 VanDerWaalsContact O-CB 3.28Å; E501-A505 WeakPolarHBondContact O-CB 3.49Å; E501-A505 PolarHBondContact O-N 3.49Å
502	T	97.3	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-44.2	-179.9	-59.5	0	0	0	0	112.1	F438 L484 S498 F499 A500 A505 F506	F438-T502 HydrophobicContact CD1-CG2 3.89Å; F438-T502 HydrophobicContact CE1-CG2 3.38Å; F438-T502 HydrophobicContact CZ-CG2 4.25Å; L484-T502 HydrophobicContact CD1-CG2 4.32Å; L484-T502 HydrophobicContact CD2-CG2 4.25Å; S498-T502 WeakPolarHBondContact O-CB 3.25Å; S498-T502 PolarHBondContact O-N 3.38Å; S498-T502 PolarHBondContact O-OG1 2.93Å; F499-T502 WeakPolarHBondContact O-CB 3.1Å; F499-T502 PolarHBondContact O-N 2.83Å; F499-T502 VanDerWaalsContact O-N 3.17Å; A500-T502 VanDerWaalsContact C-N 3.29Å; A500-T502 PolarHBondContact O-N 2.65Å; T502-A505 WeakPolarHBondContact O-CB 3.45Å; T502-A505 PolarHBondContact O-N 3.32Å; T502-F506 HydrophobicContact CG2-CE2 4.07Å; T502-F506 VanDerWaalsContact O-CD2 3.24Å; T502-F506 WeakPolarHBondContact O-CD2 3.02Å; T502-F506 PolarHBondContact O-N 3.29Å
503	H	95.9	Very high	93	Very high	39 Å²	39	50 Å²	50	18%	0.181	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-46.5	174.5	-179	-104.1	0	0	0	110.8	S361 E365 F499 A505 F506 E507	S361-H503 PolarHBondContact OG-CD2 2.94Å; E365-H503 IonicContact OE2-CG 2.76Å; E365-H503 IonicContact OE2-ND1 3.61Å; E365-H503 PolarHBondContact OE2-ND1 3.45Å; F499-H503 WeakPolarHBondContact O-CB 3.16Å; F499-H503 PolarHBondContact O-N 2.87Å; H503-A505 PolarHBondContact O-N 3.32Å; H503-F506 PolarHBondContact O-N 3.3Å; H503-F506 VanDerWaalsContact O-N 3.11Å; H503-E507 PolarHBondContact O-N 3.08Å
504	Q	93.2	Very high	92.6	Very high	101 Å²	101	49.1 Å²	49.1	47%	0.472	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-32.3	177.2	-173.7	60.3	93.9	0	0	112.7	A500 T508	A500-Q504 VanDerWaalsContact O-CB 3.24Å; A500-Q504 WeakPolarHBondContact O-CB 3.41Å; A500-Q504 PolarHBondContact O-N 2.94Å; Q504-T508 WeakPolarHBondContact O-CG2 3.49Å; Q504-T508 PolarHBondContact O-N 3.29Å; Q504-T508 PolarHBondContact O-OG1 3.39Å
505	A	94.5	Very high	92.4	Very high	28 Å²	28	44.5 Å²	44.5	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-45.5	173	0	0	0	0	0	111.8	L484 E501 T502 H503 E507 T508 M509	L484-A505 HydrophobicContact CD2-CB 4.39Å; E501-A505 VanDerWaalsContact O-CB 3.28Å; E501-A505 WeakPolarHBondContact O-CB 3.49Å; E501-A505 PolarHBondContact O-N 3.49Å; T502-A505 WeakPolarHBondContact O-CB 3.45Å; T502-A505 PolarHBondContact O-N 3.32Å; H503-A505 PolarHBondContact O-N 3.32Å; A505-E507 PolarHBondContact O-N 3.17Å; A505-T508 PolarHBondContact O-N 3.31Å; A505-T508 PolarHBondContact O-OG1 2.94Å; A505-T508 VanDerWaalsContact O-OG1 3.13Å; A505-M509 WeakPolarHBondContact O-CB 3.34Å; A505-M509 PolarHBondContact O-N 2.76Å
506	F	91.6	Very high	92.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-45	176	-74.1	-61.4	0	0	0	112.4	N148 L354 A357 F438 L442 L484 T502 H503 T508 M509	N148-F506 PolarHBondContact ND2-O 3.17Å; L354-F506 HydrophobicContact CD1-CD1 3.52Å; L354-F506 HydrophobicContact CD1-CE1 4.13Å; L354-F506 HydrophobicContact CD1-CG 4.33Å; A357-F506 HydrophobicContact CB-CZ 4.3Å; F438-F506 AromaticContact CE1-CE2 3.91Å; F438-F506 HydrophobicContact CE1-CE2 3.91Å; F438-F506 HydrophobicContact CE1-CZ 4.36Å; F438-F506 AromaticContact CZ-CE2 3.83Å; F438-F506 HydrophobicContact CZ-CE2 3.83Å; F438-F506 HydrophobicContact CZ-CZ 4.37Å; L442-F506 HydrophobicContact CD1-CZ 3.86Å; L442-F506 HydrophobicContact CD2-CE2 4.34Å; L442-F506 HydrophobicContact CD2-CZ 3.64Å; L442-F506 HydrophobicContact CG-CZ 4.4Å; L484-F506 HydrophobicContact CD2-CD1 4.41Å; L484-F506 HydrophobicContact CD2-CD2 4.32Å; L484-F506 HydrophobicContact CD2-CE1 3.85Å; L484-F506 HydrophobicContact CD2-CE2 3.73Å; L484-F506 HydrophobicContact CD2-CZ 3.46Å; L484-F506 VanDerWaalsContact CD2-CZ 3.46Å; T502-F506 HydrophobicContact CG2-CE2 4.07Å; T502-F506 VanDerWaalsContact O-CD2 3.24Å; T502-F506 WeakPolarHBondContact O-CD2 3.02Å; T502-F506 PolarHBondContact O-N 3.29Å; H503-F506 PolarHBondContact O-N 3.3Å; H503-F506 VanDerWaalsContact O-N 3.11Å; F506-T508 PolarHBondContact O-N 3.05Å; F506-T508 VanDerWaalsContact O-N 3.16Å; F506-M509 HydrophobicContact CD1-CE 4.04Å; F506-M509 HydrophobicContact CE1-CE 4.2Å; F506-M509 PolarHBondContact O-N 3.41Å
507	E	88.1	Confident	91.8	Very high	29 Å²	29	44 Å²	44	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-73.9	-2.8	-179.6	-58.3	-64.7	-157.1	0	0	114.8	S146 N148 T358 H503 A505	S146-E507 WeakPolarHBondContact CB-OE1 3.23Å; S146-E507 WeakPolarHBondContact CB-OE2 3.3Å; S146-E507 PolarHBondContact OG-OE1 3.04Å; S146-E507 PolarHBondContact OG-OE2 3.26Å; N148-E507 PolarHBondContact ND2-OE2 3.5Å; T358-E507 HydrophobicContact CG2-CG 4.32Å; T358-E507 WeakPolarHBondContact CG2-OE1 3.41Å; H503-E507 PolarHBondContact O-N 3.08Å; A505-E507 PolarHBondContact O-N 3.17Å
508	T	88.6	Confident	91.6	Very high	64 Å²	64	44.6 Å²	44.6	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-115.6	-12	172.9	54.1	0	0	0	0	113.9	Q504 A505 F506 F510	Q504-T508 WeakPolarHBondContact O-CG2 3.49Å; Q504-T508 PolarHBondContact O-N 3.29Å; Q504-T508 PolarHBondContact O-OG1 3.39Å; A505-T508 PolarHBondContact O-N 3.31Å; A505-T508 PolarHBondContact O-OG1 2.94Å; A505-T508 VanDerWaalsContact O-OG1 3.13Å; F506-T508 PolarHBondContact O-N 3.05Å; F506-T508 VanDerWaalsContact O-N 3.16Å; T508-F510 PolarHBondContact O-N 3.16Å
509	M	89.4	Confident	91.3	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-35.9	-169.1	-161.1	172.2	-67.8	0	0	114.2	K480 V481 L484 A505 F506	K480-M509 HydrophobicContact CB-CE 4.46Å; K480-M509 HydrophobicContact CB-CG 3.68Å; K480-M509 HydrophobicContact CB-SD 3.67Å; K480-M509 HydrophobicContact CD-CG 3.63Å; K480-M509 WeakPolarHBondContact CD-O 3.46Å; K480-M509 HydrophobicContact CG-CG 4.31Å; K480-M509 PolarHBondContact NZ-O 3.41Å; V481-M509 HydrophobicContact CB-SD 4.43Å; V481-M509 HydrophobicContact CG2-SD 3.55Å; V481-M509 VanDerWaalsContact CG2-SD 3.55Å; L484-M509 HydrophobicContact CD2-CE 3.97Å; A505-M509 WeakPolarHBondContact O-CB 3.34Å; A505-M509 PolarHBondContact O-N 2.76Å; F506-M509 HydrophobicContact CD1-CE 4.04Å; F506-M509 HydrophobicContact CE1-CE 4.2Å; F506-M509 PolarHBondContact O-N 3.41Å
510	F	87.8	Confident	91	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.013	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	49.3	-170.1	-59.2	-70.6	0	0	0	112.2	R147 L354 P478 V481 T508 S513 I515 E518	R147-F510 VanDerWaalsContact CD-O 3.3Å; R147-F510 WeakPolarHBondContact CD-O 3.42Å; R147-F510 PolarHBondContact NE-O 2.96Å; L354-F510 HydrophobicContact CD1-CE2 4.37Å; L354-F510 HydrophobicContact CD2-CD2 3.76Å; L354-F510 HydrophobicContact CD2-CE2 4.03Å; P478-F510 HydrophobicContact CB-CE1 4.49Å; P478-F510 HydrophobicContact CB-CZ 4.33Å; P478-F510 HydrophobicContact CG-CZ 4.36Å; V481-F510 HydrophobicContact CG2-CE2 4.46Å; V481-F510 HydrophobicContact CG2-CZ 4.11Å; T508-F510 PolarHBondContact O-N 3.16Å; F510-S513 CarbonylContact C-O 3.54Å; F510-S513 WeakPolarHBondContact CB-O 3.38Å; F510-I515 HydrophobicContact CD1-CB 4.19Å; F510-I515 HydrophobicContact CD2-CB 4.03Å; F510-I515 HydrophobicContact CD2-CG1 4.49Å; F510-I515 HydrophobicContact CE1-CB 4.1Å; F510-I515 HydrophobicContact CE1-CG1 4.08Å; F510-I515 HydrophobicContact CE2-CB 3.93Å; F510-I515 HydrophobicContact CE2-CD1 3.77Å; F510-I515 HydrophobicContact CE2-CG1 3.88Å; F510-I515 HydrophobicContact CG-CB 4.17Å; F510-I515 HydrophobicContact CZ-CB 3.97Å; F510-I515 HydrophobicContact CZ-CD1 3.88Å; F510-I515 HydrophobicContact CZ-CG1 3.65Å; F510-E518 HydrophobicContact CD1-CG 4.26Å; F510-E518 HydrophobicContact CE1-CB 4.23Å; F510-E518 HydrophobicContact CE1-CG 4.01Å
511	Q	82.4	Confident	90.9	Very high	101 Å²	101	54 Å²	54	47%	0.472	27%	0.274	S	S	.	.	S	Bend	trans	-80.3	-14.5	178.5	-70.3	-174.8	-2.5	0	0	114.7	R147	R147-Q511 PolarHBondContact NH1-O 3.44Å
512	E	78.9	Confident	90.7	Very high	191 Å²	191	49.2 Å²	49.2	89%	0.893	25%	0.252	S	S	*	.	S	Bend	trans	-116	-42.2	-175.4	-64.1	179.4	161.2	0	0	112.7
513	S	86.5	Confident	90.4	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.203	27%	0.272	C	S	.	.	S	Bend	trans	-113.7	163.2	171.4	49.6	0	0	0	0	111	F510 E518	F510-S513 CarbonylContact C-O 3.54Å; F510-S513 WeakPolarHBondContact CB-O 3.38Å; S513-E518 PolarHBondContact OG-OE1 2.69Å
514	S	88.5	Confident	89.9	Confident	23 Å²	23	53.3 Å²	53.3	16%	0.161	29%	0.285	C	S	.	.			trans	-80.8	159.5	167.8	79	0	0	0	0	110.8	S516 D517 E518	S514-S516 PolarHBondContact O-N 2.88Å; S514-S516 PolarHBondContact OG-N 3.24Å; S514-D517 WeakPolarHBondContact CB-OD2 3.37Å; S514-D517 PolarHBondContact N-OD2 3.47Å; S514-D517 PolarHBondContact O-N 2.87Å; S514-D517 VanDerWaalsContact OG-CG 3.29Å; S514-D517 PolarHBondContact OG-N 2.9Å; S514-D517 PolarHBondContact OG-OD2 3.21Å; S514-E518 PolarHBondContact O-N 3.17Å
515	I	92.4	Very high	89.3	Confident	11 Å²	11	53.2 Å²	53.2	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-32.4	173.1	-172.2	171.2	0	0	0	111.9	A350 V351 L354 P478 F510 E518 V519	A350-I515 HydrophobicContact CB-CD1 4.38Å; A350-I515 HydrophobicContact CB-CG1 4.22Å; A350-I515 HydrophobicContact CB-CG2 4.21Å; V351-I515 HydrophobicContact CB-CG2 4.44Å; V351-I515 HydrophobicContact CG2-CG2 3.85Å; L354-I515 HydrophobicContact CB-CD1 3.92Å; L354-I515 HydrophobicContact CD2-CB 4.28Å; L354-I515 HydrophobicContact CD2-CD1 4.12Å; L354-I515 HydrophobicContact CD2-CG2 4.13Å; L354-I515 HydrophobicContact CG-CD1 4.43Å; P478-I515 HydrophobicContact CG-CG1 4.11Å; F510-I515 HydrophobicContact CD1-CB 4.19Å; F510-I515 HydrophobicContact CD2-CB 4.03Å; F510-I515 HydrophobicContact CD2-CG1 4.49Å; F510-I515 HydrophobicContact CE1-CB 4.1Å; F510-I515 HydrophobicContact CE1-CG1 4.08Å; F510-I515 HydrophobicContact CE2-CB 3.93Å; F510-I515 HydrophobicContact CE2-CD1 3.77Å; F510-I515 HydrophobicContact CE2-CG1 3.88Å; F510-I515 HydrophobicContact CG-CB 4.17Å; F510-I515 HydrophobicContact CZ-CB 3.97Å; F510-I515 HydrophobicContact CZ-CD1 3.88Å; F510-I515 HydrophobicContact CZ-CG1 3.65Å; I515-E518 PolarHBondContact O-N 3.26Å; I515-V519 HydrophobicContact CG1-CG2 4.28Å; I515-V519 WeakPolarHBondContact O-CG2 3.46Å; I515-V519 PolarHBondContact O-N 2.76Å
516	S	91.5	Very high	87.6	Confident	40 Å²	40	57.7 Å²	57.7	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-46.2	178	-56.9	0	0	0	0	112.1	S514 E518 V519 E520	S514-S516 PolarHBondContact O-N 2.88Å; S514-S516 PolarHBondContact OG-N 3.24Å; S516-E518 VanDerWaalsContact C-N 3.26Å; S516-E518 PolarHBondContact O-N 3.22Å; S516-V519 PolarHBondContact O-N 3.21Å; S516-E520 PolarHBondContact O-N 2.7Å
517	D	91.7	Very high	85.5	Confident	51 Å²	51	60.6 Å²	60.6	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-35.4	178.3	-52.8	-70.2	0	0	0	111.3	R183 S514 K521	R183-D517 IonicContact CZ-OD1 2.69Å; R183-D517 IonicContact NE-OD1 2.72Å; R183-D517 IonicContact NH2-OD1 2.7Å; R183-D517 PolarHBondContact NH2-OD1 2.86Å; S514-D517 WeakPolarHBondContact CB-OD2 3.37Å; S514-D517 PolarHBondContact N-OD2 3.47Å; S514-D517 PolarHBondContact O-N 2.87Å; S514-D517 VanDerWaalsContact OG-CG 3.29Å; S514-D517 PolarHBondContact OG-N 2.9Å; S514-D517 PolarHBondContact OG-OD2 3.21Å; D517-K521 WeakPolarHBondContact O-CB 3.31Å; D517-K521 PolarHBondContact O-N 3.21Å; D517-K521 VanDerWaalsContact O-N 3.11Å
518	E	93.6	Very high	83.5	Confident	33 Å²	33	68.5 Å²	68.5	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-72.5	-34.3	176.4	-65	-66	144.8	0	0	112.9	P478 F510 S513 S514 I515 S516 K521 E522	P478-E518 HydrophobicContact CB-CB 4.2Å; P478-E518 HydrophobicContact CG-CB 4.19Å; F510-E518 HydrophobicContact CD1-CG 4.26Å; F510-E518 HydrophobicContact CE1-CB 4.23Å; F510-E518 HydrophobicContact CE1-CG 4.01Å; S513-E518 PolarHBondContact OG-OE1 2.69Å; S514-E518 PolarHBondContact O-N 3.17Å; I515-E518 PolarHBondContact O-N 3.26Å; S516-E518 VanDerWaalsContact C-N 3.26Å; S516-E518 PolarHBondContact O-N 3.22Å; E518-K521 IonicContact OE1-NZ 3.64Å; E518-K521 PolarHBondContact OE1-NZ 3.16Å; E518-K521 WeakPolarHBondContact OE2-CD 3.36Å; E518-K521 WeakPolarHBondContact OE2-CE 3.44Å; E518-K521 IonicContact OE2-NZ 2.68Å; E518-K521 PolarHBondContact OE2-NZ 2.59Å; E518-E522 WeakPolarHBondContact O-CG 3.37Å; E518-E522 PolarHBondContact O-N 3.14Å
519	V	93.3	Very high	81.5	Confident	32 Å²	32	73.5 Å²	73.5	19%	0.194	38%	0.377	C	S	.	.	H	α-helix	trans	-68.3	-46.2	173.9	170.5	0	0	0	0	111.2	A350 G476 P478 I515 S516 K521 E522 L523	A350-V519 HydrophobicContact CB-CG2 3.81Å; G476-V519 WeakPolarHBondContact O-CG2 3.23Å; P478-V519 HydrophobicContact CG-CG2 3.8Å; I515-V519 HydrophobicContact CG1-CG2 4.28Å; I515-V519 WeakPolarHBondContact O-CG2 3.46Å; I515-V519 PolarHBondContact O-N 2.76Å; S516-V519 PolarHBondContact O-N 3.21Å; V519-K521 VanDerWaalsContact C-N 3.28Å; V519-K521 PolarHBondContact O-N 2.97Å; V519-E522 PolarHBondContact O-N 2.77Å; V519-L523 HydrophobicContact CG1-CD1 4.08Å; V519-L523 WeakPolarHBondContact O-CG 3.17Å; V519-L523 PolarHBondContact O-N 3.46Å
520	E	92.3	Very high	79.1	Confident	128 Å²	128	78.8 Å²	78.8	60%	0.598	41%	0.411	S	S	*	.	H	α-helix	trans	-57.1	-42.9	174.9	-73.9	-179.4	-165.9	0	0	111.6	S516 L523 G524	S516-E520 PolarHBondContact O-N 2.7Å; E520-L523 PolarHBondContact O-N 3.11Å; E520-G524 PolarHBondContact O-N 2.9Å
521	K	93.8	Very high	76.9	Confident	97 Å²	97	86.8 Å²	86.8	42%	0.422	45%	0.453	S	S	.	.	H	α-helix	trans	-62.8	-38.7	176	174.7	-175.7	176.7	-167.6	0	112.8	D517 E518 V519 K525	D517-K521 WeakPolarHBondContact O-CB 3.31Å; D517-K521 PolarHBondContact O-N 3.21Å; D517-K521 VanDerWaalsContact O-N 3.11Å; E518-K521 IonicContact OE1-NZ 3.64Å; E518-K521 PolarHBondContact OE1-NZ 3.16Å; E518-K521 WeakPolarHBondContact OE2-CD 3.36Å; E518-K521 WeakPolarHBondContact OE2-CE 3.44Å; E518-K521 IonicContact OE2-NZ 2.68Å; E518-K521 PolarHBondContact OE2-NZ 2.59Å; V519-K521 VanDerWaalsContact C-N 3.28Å; V519-K521 PolarHBondContact O-N 2.97Å; K521-K525 VanDerWaalsContact O-CG 3.27Å; K521-K525 WeakPolarHBondContact O-CG 3.39Å; K521-K525 PolarHBondContact O-N 3.18Å; K521-K525 VanDerWaalsContact O-N 3.15Å
522	E	93.1	Very high	74.6	Confident	16 Å²	16	85 Å²	85	8%	0.075	46%	0.462	C	S	.	.	H	α-helix	trans	-71.1	-39.5	174.1	-73.5	-53.7	131.5	0	0	113.2	R473 E518 V519 K525	R473-E522 IonicContact CZ-OE2 3.83Å; R473-E522 IonicContact NH1-OE2 3.54Å; R473-E522 PolarHBondContact NH1-OE2 3.31Å; R473-E522 IonicContact NH2-OE2 3.29Å; R473-E522 PolarHBondContact NH2-OE2 3.01Å; E518-E522 WeakPolarHBondContact O-CG 3.37Å; E518-E522 PolarHBondContact O-N 3.14Å; V519-E522 PolarHBondContact O-N 2.77Å; E522-K525 PolarHBondContact O-N 3.02Å; E522-K525 IonicContact OE1-NZ 3.58Å; E522-K525 PolarHBondContact OE1-NZ 3.05Å
523	L	91.8	Very high	72.2	Confident	83 Å²	83	81 Å²	81	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-65.9	-44.3	174.2	-65.4	172.2	0	0	0	111.2	E475 V519 E520 K525 K526	E475-L523 HydrophobicContact CG-CD2 3.86Å; V519-L523 HydrophobicContact CG1-CD1 4.08Å; V519-L523 WeakPolarHBondContact O-CG 3.17Å; V519-L523 PolarHBondContact O-N 3.46Å; E520-L523 PolarHBondContact O-N 3.11Å; L523-K525 VanDerWaalsContact C-N 3.28Å; L523-K525 PolarHBondContact O-N 3.41Å; L523-K526 PolarHBondContact O-N 3.48Å; L523-K526 VanDerWaalsContact O-N 3.09Å
524	G	84.3	Confident	69.9	Low	42 Å²	42	87.9 Å²	87.9	43%	0.433	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-30.6	176.6	0	0	0	0	0	114.1	E520 K526 G527 K528	E520-G524 PolarHBondContact O-N 2.9Å; G524-K526 VanDerWaalsContact C-N 3.28Å; G524-K526 PolarHBondContact O-N 3.07Å; G524-G527 PolarHBondContact O-N 2.79Å; G524-K528 PolarHBondContact O-N 3.23Å
525	K	82.3	Confident	67.4	Low	99 Å²	99	95.3 Å²	95.3	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-28.9	173.6	-80.7	168.4	-176.2	178.7	0	113.3	K521 E522 L523 K529	K521-K525 VanDerWaalsContact O-CG 3.27Å; K521-K525 WeakPolarHBondContact O-CG 3.39Å; K521-K525 PolarHBondContact O-N 3.18Å; K521-K525 VanDerWaalsContact O-N 3.15Å; E522-K525 PolarHBondContact O-N 3.02Å; E522-K525 IonicContact OE1-NZ 3.58Å; E522-K525 PolarHBondContact OE1-NZ 3.05Å; L523-K525 VanDerWaalsContact C-N 3.28Å; L523-K525 PolarHBondContact O-N 3.41Å; K525-K529 WeakPolarHBondContact O-CG 3.09Å
526	K	57.4	Low	64.4	Low	123 Å²	123	103.6 Å²	103.6	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-72.6	-42.3	171	-87.4	-171	175	-174.8	0	111.6	E475 L523 G524 K528 K529	E475-K526 WeakPolarHBondContact OE1-CD 3.42Å; E475-K526 WeakPolarHBondContact OE1-CE 3.39Å; E475-K526 IonicContact OE1-NZ 2.75Å; E475-K526 PolarHBondContact OE1-NZ 2.88Å; E475-K526 IonicContact OE2-NZ 3.81Å; L523-K526 PolarHBondContact O-N 3.48Å; L523-K526 VanDerWaalsContact O-N 3.09Å; G524-K526 VanDerWaalsContact C-N 3.28Å; G524-K526 PolarHBondContact O-N 3.07Å; K526-K528 PolarHBondContact O-N 3Å; K526-K528 VanDerWaalsContact O-N 3.14Å; K526-K529 PolarHBondContact O-N 3.01Å
527	G	48.5	Very low	61.5	Low	63 Å²	63	105.8 Å²	105.8	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-57.1	-29.7	-179.4	0	0	0	0	0	114.7	G524	G524-G527 PolarHBondContact O-N 2.79Å
528	K	45.6	Very low	58.6	Low	194 Å²	194	109.7 Å²	109.7	84%	0.843	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-0.8	175.5	-71	-171.7	175.3	-177.3	0	115.3	G524 K526	G524-K528 PolarHBondContact O-N 3.23Å; K526-K528 PolarHBondContact O-N 3Å; K526-K528 VanDerWaalsContact O-N 3.14Å
529	K	46.7	Very low	55.6	Low	169 Å²	169	117.1 Å²	117.1	74%	0.735	64%	0.642	S	S	*	*			trans	-94.1	4.2	-177.6	-83.1	-176.3	174.4	-173	0	115.2	K525 K526 L531	K525-K529 WeakPolarHBondContact O-CG 3.09Å; K526-K529 PolarHBondContact O-N 3.01Å; K529-L531 VanDerWaalsContact C-N 3.3Å; K529-L531 PolarHBondContact O-N 3.27Å
530	T	39.7	Very low	52.6	Low	127 Å²	127	123.3 Å²	123.3	78%	0.779	67%	0.673	S	S	*	*	S	Bend	trans	-88.6	15.6	-180	-30.9	0	0	0	0	114
531	L	40.7	Very low	49.7	Very low	171 Å²	171	123 Å²	123	90%	0.895	68%	0.681	S	S	*	*	S	Bend	trans	-149.4	78.4	170.7	-166.4	68.1	0	0	0	112	K529	K529-L531 VanDerWaalsContact C-N 3.3Å; K529-L531 PolarHBondContact O-N 3.27Å
532	G	34.5	Very low	46.7	Very low	64 Å²	64	125.2 Å²	125.2	66%	0.66	70%	0.703	S	S	*	*	S	Bend	trans	167.8	132.5	171.6	0	0	0	0	0	114.2
533	S	29.1	Very low	43.7	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	74%	0.739	S	S	*	*			trans	61.6	83.5	175.8	-157	0	0	0	0	116.6
534	I	36.8	Very low	41	Very low	173 Å²	173	135.4 Å²	135.4	89%	0.887	76%	0.755	S	S	*	*			trans	-73.6	117	146.5	-64.1	173.4	0	0	0	106.5
535	Q	35.7	Very low	38.3	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	77%	0.774	S	S	*	*			trans	-119.2	134.6	166.4	-154.7	165.2	39.9	0	0	108.4
536	Q	31.1	Very low	35.8	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.4	137.5	-159.8	-67.8	165.9	-54.1	0	0	113
537	A	29.6	Very low	34.5	Very low	86 Å²	86	145.8 Å²	145.8	71%	0.711	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.8	145.9	160.4	0	0	0	0	0	109.9	E539	A537-E539 PolarHBondContact O-N 2.72Å
538	P	31.2	Very low	33.6	Very low	132 Å²	132	150.6 Å²	150.6	86%	0.857	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.4	120.3	176.7	30.1	-32.7	0	0	0	111.1
539	E	30.9	Very low	32.9	Very low	190 Å²	190	150.8 Å²	150.8	89%	0.888	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.2	147.7	174.4	-66.1	-168	145.9	0	0	112.5	A537	A537-E539 PolarHBondContact O-N 2.72Å
540	L	30.3	Very low	32	Very low	162 Å²	162	149 Å²	149	85%	0.848	80%	0.802	S	S	*	*			trans	-108.1	145	162.8	-80.6	171.2	0	0	0	109.7
541	P	31.8	Very low	31.7	Very low	120 Å²	120	151 Å²	151	78%	0.779	81%	0.805	S	S	*	*			trans	-81.3	136.9	-156.6	30.5	-36.6	0	0	0	114.2
542	T	29.9	Very low	31.2	Very low	144 Å²	144	150.3 Å²	150.3	88%	0.883	80%	0.797	S	S	*	*			trans	-126.8	138.5	160.7	-47.9	0	0	0	0	109.5
543	K	30.8	Very low	31	Very low	189 Å²	189	154 Å²	154	82%	0.822	80%	0.801	S	S	*	*			trans	-92.8	129.5	-166.5	-76.4	-176.9	175.5	-179.9	0	114
544	T	33.8	Very low	31.2	Very low	124 Å²	124	159.3 Å²	159.3	76%	0.761	81%	0.805	S	S	*	*			trans	66.5	128.7	140.7	-43.2	0	0	0	0	116.3
545	R	28.7	Very low	30.9	Very low	221 Å²	221	156.5 Å²	156.5	83%	0.834	79%	0.792	S	S	*	*				-173.4	125	70.9	-172	166.8	83.4	165	6.7	113.8
546	T	30	Very low	30.7	Very low	108 Å²	108	157.4 Å²	157.4	66%	0.663	79%	0.787	S	S	*	*			trans	20.3	141.2	149.8	67.8	0	0	0	0	121
547	L	28.3	Very low	30.5	Very low	154 Å²	154	154 Å²	154	81%	0.806	78%	0.775	S	S	*	*				-157	171.2	60.4	-87.1	169.9	0	0	0	115.4
548	H	30.8	Very low	30.5	Very low	164 Å²	164	154.8 Å²	154.8	76%	0.759	78%	0.776	S	S	*	*			trans	-47.1	168.3	175.3	-70.2	-88.4	0	0	0	116.7
549	K	30.4	Very low	31.2	Very low	197 Å²	197	153.7 Å²	153.7	86%	0.857	77%	0.768	S	S	*	*			cis	-158.6	163.1	35.9	-157.5	173.1	179.9	-176.2	0	115.3
550	N	28.3	Very low	31	Very low	131 Å²	131	151.4 Å²	151.4	70%	0.701	76%	0.762	S	S	*	*			trans	-63.2	152.2	-178.5	-49.2	6.2	0	0	0	115.4
551	M	32.3	Very low	31.9	Very low	170 Å²	170	149.1 Å²	149.1	84%	0.837	76%	0.757	S	S	*	*				164.6	160.5	111.3	-88.2	163.1	66.6	0	0	109.4
552	E	30.9	Very low	31.9	Very low	156 Å²	156	149.3 Å²	149.3	73%	0.729	76%	0.756	S	S	*	*			cis	-172.8	176.8	-33.8	-176.7	151	-155.5	0	0	105.9
553	N	31	Very low	31.8	Very low	141 Å²	141	150.8 Å²	150.8	75%	0.754	75%	0.753	S	S	*	*			trans	69.5	124.6	179.3	-69.7	-22.2	0	0	0	114.5
554	R	31.9	Very low	32.6	Very low	219 Å²	219	146.3 Å²	146.3	83%	0.826	74%	0.743	S	S	*	*			cis	61.7	138.7	34.6	-58.6	-165.5	-179.1	-160.7	1.8	112.5
555	N	30.6	Very low	32.3	Very low	114 Å²	114	148.3 Å²	148.3	61%	0.61	74%	0.744	S	S	*	*			cis	-162.1	154.3	10.9	-130.2	6.5	0	0	0	108.8
556	R	31.2	Very low	32.4	Very low	197 Å²	197	143.7 Å²	143.7	74%	0.743	74%	0.74	S	S	*	*			trans	53.4	155.6	137.7	-70.7	179.8	163.2	-118.8	6.4	120.4
557	D	27.9	Very low	33	Very low	115 Å²	115	143.8 Å²	143.8	62%	0.615	74%	0.743	S	S	*	*			cis	-151.6	171.1	-6.3	-112.1	-29	0	0	0	110.1
558	S	29.6	Very low	32.9	Very low	102 Å²	102	142.6 Å²	142.6	71%	0.713	74%	0.741	S	S	*	*			trans	-63.3	-173	170.5	-31.9	0	0	0	0	113.5
559	P	45.6	Very low	32.7	Very low	109 Å²	109	140 Å²	140	71%	0.708	74%	0.742	S	S	*	*			cis	-140.2	-180	1.4	35	-11.9	0	0	0	117.9
560	D	27.4	Very low	32.7	Very low	142 Å²	142	136 Å²	136	76%	0.759	74%	0.738	S	S	*	*			trans	-19.6	-178.7	147.7	-37.1	-61	0	0	0	119.4
561	P	49.6	Very low	33.4	Very low	114 Å²	114	135.1 Å²	135.1	74%	0.74	74%	0.74	S	S	*	*			cis	-140.7	-166.2	-0	26.3	1	0	0	0	116.6
562	V	31	Very low	33.5	Very low	125 Å²	125	134.9 Å²	134.9	76%	0.758	74%	0.738	S	S	*	*			trans	87.1	100.5	153.4	-150.5	0	0	0	0	120
563	E	27	Very low	33.6	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	74%	0.741	S	S	*	*				14.8	169.2	114.5	-88.1	-179	-174.4	0	0	122.4
564	P	47.7	Very low	34	Very low	96 Å²	96	133.4 Å²	133.4	62%	0.623	74%	0.741	S	S	*	*			cis	-133.1	-152.8	-12.2	27.2	-1.6	0	0	0	113
565	E	27.8	Very low	34	Very low	166 Å²	166	134.2 Å²	134.2	78%	0.776	75%	0.745	S	S	*	*			trans	85.3	121.5	161	-59.5	-56	97.5	0	0	121.7
566	V	30.1	Very low	33.8	Very low	124 Å²	124	136.9 Å²	136.9	75%	0.752	75%	0.751	S	S	*	*			trans	-77.6	176.1	161.8	-99.3	0	0	0	0	110.1
567	P	42.7	Very low	33.5	Very low	110 Å²	110	134.9 Å²	134.9	71%	0.714	75%	0.75	S	S	*	*			cis	-146.8	168.2	25.5	42.8	-21.8	0	0	0	119.9
568	V	28.1	Very low	33.9	Very low	129 Å²	129	140.4 Å²	140.4	78%	0.782	76%	0.762	S	S	*	*			trans	37.2	108.4	137.8	-177.5	0	0	0	0	120
569	S	26.3	Very low	34.2	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	76%	0.764	S	S	*	*				168.9	120.1	123.8	-77.1	0	0	0	0	115.6
570	S	29.6	Very low	33.5	Very low	111 Å²	111	143 Å²	143	78%	0.776	77%	0.767	S	S	*	*				-1.6	168	128	-57.5	0	0	0	0	121.4
571	P	44.3	Very low	33.8	Very low	113 Å²	113	143 Å²	143	73%	0.734	77%	0.766	S	S	*	*			cis	-141.2	174.2	-24.2	34.9	-14.5	0	0	0	116.4
572	M	32.9	Very low	32.8	Very low	165 Å²	165	143 Å²	143	81%	0.813	76%	0.76	S	S	*	*			trans	32.5	155.2	144.7	-63.4	-175.9	69.4	0	0	125.2
573	L	33.7	Very low	32.7	Very low	149 Å²	149	143.5 Å²	143.5	78%	0.78	76%	0.759	S	S	*	*			trans	90.3	158.8	159.2	-53.9	-176.8	0	0	0	117.4
574	P	39.8	Very low	32.9	Very low	118 Å²	118	141.2 Å²	141.2	77%	0.766	75%	0.752	S	S	*	*			cis	-128.2	-172.3	-9.2	23	1.6	0	0	0	115.3
575	R	30.5	Very low	32.1	Very low	236 Å²	236	143.8 Å²	143.8	89%	0.891	76%	0.76	S	S	*	*			trans	-46.1	159	156.1	-76.6	170.6	155.7	145	-9.8	111.2
576	K	28	Very low	32.3	Very low	170 Å²	170	142.5 Å²	142.5	74%	0.739	76%	0.759	S	S	*	*				175.9	169.2	58.6	-158.5	-168	167	-157.1	0	111.6
577	E	25.1	Very low	32.5	Very low	155 Å²	155	144.3 Å²	144.3	72%	0.724	76%	0.759	S	S	*	*			trans	87.8	161.9	155.2	-52	-161.3	164.1	0	0	123
578	R	34.7	Very low	32	Very low	231 Å²	231	145.8 Å²	145.8	87%	0.872	76%	0.76	S	S	*	*			trans	-141.2	151.9	178.5	-69	178.3	176.1	169.9	-4.2	108.6
579	P	37.4	Very low	32	Very low	117 Å²	117	144.5 Å²	144.5	76%	0.76	75%	0.749	S	S	*	*				-119.5	154.1	120.4	-4.7	25.9	0	0	0	111.2
580	L	29.1	Very low	32.2	Very low	148 Å²	148	148.5 Å²	148.5	78%	0.775	75%	0.747	S	S	*	*				68.8	129.7	54.2	-56.3	178.7	0	0	0	112.7
581	L	34.2	Very low	32.2	Very low	141 Å²	141	151 Å²	151	74%	0.738	75%	0.751	S	S	*	*			cis	-151.1	-165.6	1.4	-107.4	164.6	0	0	0	108.2
582	D	30	Very low	31.4	Very low	114 Å²	114	152.7 Å²	152.7	61%	0.61	75%	0.753	S	S	*	*			cis	-161.1	-176.4	10.1	-140.4	-46.2	0	0	0	112.3
583	N	27.1	Very low	31.9	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	75%	0.747	S	S	*	*			trans	70	146.1	161.6	-72.9	-41.7	0	0	0	121
584	N	32.1	Very low	31.7	Very low	126 Å²	126	151.2 Å²	151.2	67%	0.674	75%	0.746	S	S	*	*			cis	-168.7	167.3	-37.3	-130.4	-48.2	0	0	0	112.5
585	L	31.8	Very low	31.1	Very low	149 Å²	149	151.5 Å²	151.5	78%	0.78	74%	0.742	S	S	*	*			trans	76.5	112.9	167.5	-53.2	-178.9	0	0	0	122.3
586	N	30.7	Very low	31	Very low	140 Å²	140	147 Å²	147	75%	0.749	74%	0.735	S	S	*	*				41.5	146.9	110.6	-90.6	43.7	0	0	0	122.4
587	E	33.7	Very low	31	Very low	162 Å²	162	147.6 Å²	147.6	76%	0.757	74%	0.738	S	S	*	*			cis	-144.7	160.9	15	-60.5	-167.9	135.9	0	0	114.8
588	D	32.4	Very low	31.3	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	74%	0.741	S	S	*	*			trans	36.3	154.5	142.2	-68.8	-1.6	0	0	0	123.9
589	D	29.8	Very low	30.9	Very low	103 Å²	103	146.1 Å²	146.1	55%	0.551	74%	0.74	S	S	*	*			cis	-151.3	157.3	13.5	-156.5	7.2	0	0	0	115.5
590	R	30.6	Very low	30.5	Very low	193 Å²	193	147.9 Å²	147.9	73%	0.728	74%	0.743	S	S	*	*			trans	25.4	114.9	149.2	-83.1	164.2	-154.6	122.3	5	122.5
591	L	29.1	Very low	30.4	Very low	164 Å²	164	144.1 Å²	144.1	86%	0.859	73%	0.729	S	S	*	*				165.7	167.7	94.7	-99.4	159.8	0	0	0	116.5
592	I	27.6	Very low	29.9	Very low	149 Å²	149	145.5 Å²	145.5	76%	0.764	73%	0.729	S	S	*	*			trans	-142	157.7	-169.8	-72.5	173.6	0	0	0	106.8
593	P	43.4	Very low	29.8	Very low	106 Å²	106	148.1 Å²	148.1	69%	0.688	74%	0.742	S	S	*	*			cis	-133.5	-169.1	-1.4	30.5	-7.1	0	0	0	115.9
594	K	28.4	Very low	29.7	Very low	176 Å²	176	145.8 Å²	145.8	77%	0.765	74%	0.737	S	S	*	*				107.2	148.4	126.2	-107	177.3	-177.3	-178.5	0	122.7
595	D	28.2	Very low	29.5	Very low	125 Å²	125	150.1 Å²	150.1	67%	0.668	74%	0.744	S	S	*	*			trans	68.1	82.5	151.5	-60.4	-32.2	0	0	0	123
596	N	27	Very low	29.5	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	74%	0.744	S	S	*	*				58.8	129.2	103.9	-151.9	-6.1	0	0	0	121
597	K	29.1	Very low	29.4	Very low	181 Å²	181	151.9 Å²	151.9	79%	0.787	74%	0.744	S	S	*	*			trans	82.3	128.7	150.2	-119.1	176.4	-173.6	177.2	0	120.9
598	T	30.2	Very low	29.3	Very low	129 Å²	129	152.7 Å²	152.7	79%	0.791	75%	0.752	S	S	*	*			trans	74.2	113	156.3	-31.7	0	0	0	0	117.4
599	R	27.3	Very low	29.1	Very low	226 Å²	226	156 Å²	156	85%	0.853	76%	0.76	S	S	*	*			trans	-143.9	110.6	155.3	-164.4	169.1	-173	156.6	0.5	111
600	N	28.6	Very low	29.1	Very low	154 Å²	154	159.6 Å²	159.6	82%	0.824	77%	0.77	S	S	*	*			trans	-107.2	132.7	168.9	-156.1	0	0	0	0	108.7
601	S	27.3	Very low	29.2	Very low	69 Å²	69	160.3 Å²	160.3	48%	0.483	78%	0.779	S	S	.	*			trans	70.2	156.8	168.6	-147.7	0	0	0	0	121.6
602	F	24.5	Very low	29.5	Very low	170 Å²	170	159.1 Å²	159.1	75%	0.746	77%	0.773	S	S	*	*			trans	57.4	117.3	165.5	-56.8	-60.4	0	0	0	121.2
603	L	26.5	Very low	29.7	Very low	169 Å²	169	156.5 Å²	156.5	89%	0.885	77%	0.774	S	S	*	*				-144.2	169.3	96.6	-108.2	174.9	0	0	0	111.7
604	S	26.7	Very low	29.2	Very low	88 Å²	88	157.6 Å²	157.6	62%	0.615	78%	0.781	S	S	*	*			trans	-150.8	173.8	-169.3	65.9	0	0	0	0	112.9
605	R	27.4	Very low	29.6	Very low	218 Å²	218	153.5 Å²	153.5	82%	0.823	78%	0.78	S	S	*	*			trans	108.7	149	175.9	-64.8	170.2	169.5	176.8	-2.1	112.6
606	I	31.4	Very low	29.9	Very low	154 Å²	154	153.3 Å²	153.3	79%	0.79	79%	0.785	S	S	*	*			cis	-127.7	122.1	31.7	-67.7	172.3	0	0	0	115.8
607	K	28.2	Very low	30.3	Very low	172 Å²	172	152.5 Å²	152.5	75%	0.748	79%	0.788	S	S	*	*			trans	31	121.1	141.7	-51.2	172.5	-173.3	171.9	0	121
608	I	31.8	Very low	30.5	Very low	178 Å²	178	153.8 Å²	153.8	91%	0.913	79%	0.794	S	S	*	*			trans	-124.7	160.5	137.2	-68.2	-174.9	0	0	0	109
609	K	27.5	Very low	30.7	Very low	211 Å²	211	159.3 Å²	159.3	92%	0.917	80%	0.8	S	S	*	*			trans	-92.3	150.8	-161.7	-153.5	171.6	-176.1	177.7	0	113.1
610	K	30.6	Very low	30.6	Very low	177 Å²	177	154.1 Å²	154.1	77%	0.77	80%	0.798	S	S	*	*			trans	-108.8	140.5	-167.8	-168.4	178.1	-173.7	-178.4	0	113.9	N612	K610-N612 VanDerWaalsContact CE-OD1 3.24Å; K610-N612 WeakPolarHBondContact CE-OD1 3.39Å
611	K	32.4	Very low	30.6	Very low	209 Å²	209	152.3 Å²	152.3	91%	0.909	80%	0.798	S	S	*	*			trans	-135.3	148.5	154.1	-92	-171.8	172.8	-176.7	0	108
612	N	36.2	Very low	30.6	Very low	138 Å²	138	154.2 Å²	154.2	74%	0.738	81%	0.811	S	S	*	*			trans	-95.4	154.8	-175.5	-65	-8.7	0	0	0	112.1	K610	K610-N612 VanDerWaalsContact CE-OD1 3.24Å; K610-N612 WeakPolarHBondContact CE-OD1 3.39Å
613	A	31.3	Very low	30.6	Very low	95 Å²	95	155.5 Å²	155.5	79%	0.785	82%	0.817	S	S	*	*			trans	-133.6	156	166.9	0	0	0	0	0	109.8
614	P	33.8	Very low	30.7	Very low	128 Å²	128	153 Å²	153	83%	0.831	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-91.7	169.2	-167.6	36.4	-36.7	0	0	0	115
615	A	34.9	Very low	30.7	Very low	90 Å²	90	159.5 Å²	159.5	74%	0.744	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.4	157.4	177.6	0	0	0	0	0	113.4
616	P	36.3	Very low	30.6	Very low	121 Å²	121	154.9 Å²	154.9	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.4	151.9	-179.4	30.1	-36	0	0	0	113.5
617	P	33.9	Very low	30.2	Very low	126 Å²	126	153.6 Å²	153.6	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.4	136.1	-173.2	32	-35	0	0	0	113.8
618	K	34.3	Very low	30.2	Very low	208 Å²	208	151.9 Å²	151.9	90%	0.904	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-72.9	146.2	159.1	-60.6	-179.7	-179.2	-177.9	0	109.1
619	R	33.4	Very low	29.9	Very low	244 Å²	244	146.8 Å²	146.8	92%	0.921	79%	0.789	S	S	*	*			trans	-122.5	103.2	179.7	-139.5	178.1	-163.2	-124.6	2.2	112.2
620	S	26.4	Very low	30	Very low	117 Å²	117	142 Å²	142	82%	0.818	77%	0.768	S	S	*	*			trans	-91	158.6	158.3	-57.1	0	0	0	0	109.3
621	S	27.2	Very low	29.9	Very low	117 Å²	117	137.3 Å²	137.3	82%	0.818	75%	0.749	S	S	*	*			trans	-147.6	113.3	172.2	55	0	0	0	0	111.5
622	S	26.9	Very low	29.7	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	74%	0.74	S	S	*	*			trans	-154.4	172.1	168.9	60.3	0	0	0	0	109.9
623	F	24.6	Very low	29.2	Very low	196 Å²	196	140.6 Å²	140.6	86%	0.86	75%	0.745	S	S	*	*			trans	77.2	164.5	176.9	-88	-87.7	0	0	0	119.5
624	T	29	Very low	28.9	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	74%	0.744	S	S	*	*			trans	-139.5	145.3	-132.6	47	0	0	0	0	116
625	R	26.2	Very low	28.4	Very low	225 Å²	225	142.2 Å²	142.2	85%	0.849	74%	0.742	S	S	*	*			trans	-6.9	127.7	151.7	-177.9	-174.1	-167.1	159.6	4.7	120
626	T	25.3	Very low	27.8	Very low	122 Å²	122	143.8 Å²	143.8	75%	0.748	74%	0.743	S	S	*	*			trans	-170.3	127.5	133.5	19.5	0	0	0	0	113.2
627	D	25	Very low	28	Very low	126 Å²	126	143.7 Å²	143.7	67%	0.674	74%	0.742	S	S	*	*				33.7	149.8	118.7	-52.8	-13.5	0	0	0	120.6
628	I	27.2	Very low	27.5	Very low	136 Å²	136	144.9 Å²	144.9	70%	0.697	74%	0.742	S	S	*	*			cis	-167.6	171.7	8.7	-120.7	166.7	0	0	0	111.1
629	S	25.1	Very low	28.2	Very low	72 Å²	72	138.8 Å²	138.8	50%	0.503	72%	0.723	S	S	.	*			trans	80.3	146.7	160.1	74.8	0	0	0	0	121.9
630	F	30.4	Very low	28.1	Very low	111 Å²	111	136.9 Å²	136.9	49%	0.487	72%	0.716	S	S	.	*			trans	-161.8	171.6	-159.7	-35.6	96.3	0	0	0	113.8	P882 P883 T884	F630-P882 CarbonylContact C-O 3.31Å; F630-P882 VanDerWaalsContact C-O 3.31Å; F630-P882 HydrophobicContact CB-CB 3.81Å; F630-P882 HydrophobicContact CB-CG 4.23Å; F630-P882 WeakPolarHBondContact CB-O 3.42Å; F630-P882 HydrophobicContact CD1-CB 3.65Å; F630-P882 HydrophobicContact CD1-CG 4.05Å; F630-P882 HydrophobicContact CD2-CB 4.48Å; F630-P882 HydrophobicContact CD2-CG 4.13Å; F630-P882 HydrophobicContact CE1-CB 4.35Å; F630-P882 HydrophobicContact CE1-CG 4.47Å; F630-P882 HydrophobicContact CG-CB 3.73Å; F630-P882 HydrophobicContact CG-CG 3.87Å; F630-P883 WeakPolarHBondContact CD1-O 3.43Å; F630-P883 PolarHBondContact N-O 2.98Å; F630-P883 CarbonylContact O-C 3.54Å; F630-P883 VanDerWaalsContact O-CA 3.29Å; F630-P883 WeakPolarHBondContact O-CA 3.48Å; F630-P883 VanDerWaalsContact O-O 3.13Å; F630-T884 WeakPolarHBondContact O-CG2 3.18Å; F630-T884 PolarHBondContact O-N 3.19Å; F630-T884 VanDerWaalsContact O-N 3.16Å
631	E	28	Very low	28.3	Very low	78 Å²	78	138.2 Å²	138.2	36%	0.364	71%	0.714	S	S	.	*			trans	-169.4	165.1	164.7	-114.8	-176.5	-140.7	0	0	113.5	P881 P882 T884	E631-P881 WeakPolarHBondContact O-CG 3.25Å; E631-P882 CarbonylContact C-O 2.88Å; E631-P882 WeakPolarHBondContact CA-O 3.39Å; E631-P882 PolarHBondContact N-O 2.73Å; E631-T884 HydrophobicContact CG-CG2 4Å; E631-T884 WeakPolarHBondContact OE1-CB 3.4Å; E631-T884 WeakPolarHBondContact OE1-CG2 3.31Å; E631-T884 PolarHBondContact OE1-OG1 3.23Å
632	R	28.6	Very low	28.4	Very low	189 Å²	189	135.8 Å²	135.8	71%	0.713	71%	0.708	S	S	*	*			cis	-150.4	-127.9	-6.2	-161.8	179.4	-89.2	-98.9	-7.7	113
633	R	25.5	Very low	28.5	Very low	226 Å²	226	137.9 Å²	137.9	85%	0.853	71%	0.711	S	S	*	*			trans	-169.1	149.6	-171.8	-172.8	-165.6	-63.9	-169.6	1.1	112.8
634	V	24	Very low	28.8	Very low	127 Å²	127	134.1 Å²	134.1	77%	0.77	70%	0.7	S	S	*	*			trans	160.5	122.8	137.2	154.4	0	0	0	0	117.4
635	V	24.9	Very low	28.7	Very low	130 Å²	130	137 Å²	137	79%	0.788	70%	0.703	S	S	*	*			trans	65	156.6	144.5	179.2	0	0	0	0	123.9
636	T	21.9	Very low	28.9	Very low	124 Å²	124	132.4 Å²	132.4	76%	0.761	70%	0.695	S	S	*	*			trans	-105	-169.1	-169.1	51.9	0	0	0	0	112.7
637	P	40.8	Very low	29.1	Very low	118 Å²	118	133.5 Å²	133.5	77%	0.766	70%	0.696	S	S	*	*			cis	-138.9	-178.5	3.4	43.5	-23.3	0	0	0	118.7
638	D	23.6	Very low	29.2	Very low	151 Å²	151	130.2 Å²	130.2	81%	0.807	69%	0.692	S	S	*	*			trans	-6.6	171.3	149	-120.3	8.8	0	0	0	121.8
639	P	48	Very low	29.3	Very low	80 Å²	80	130.5 Å²	130.5	52%	0.519	70%	0.7	S	S	.	*			cis	-144.8	176.9	-1.6	41.9	-22.1	0	0	0	119.2
640	R	31.1	Very low	29.3	Very low	204 Å²	204	131.6 Å²	131.6	77%	0.77	71%	0.708	S	S	*	*			trans	86.7	152.5	131.5	-104.5	-175	-78.2	175.4	-3.7	127.9
641	D	30.9	Very low	29.2	Very low	145 Å²	145	133.5 Å²	133.5	78%	0.775	72%	0.722	S	S	*	*			trans	86.6	144.4	147.2	-59.6	-25	0	0	0	124.5
642	G	29.6	Very low	29.1	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	73%	0.732	S	S	*	*			trans	105.6	91.4	175.6	0	0	0	0	0	115.4
643	D	28.3	Very low	28.9	Very low	153 Å²	153	133 Å²	133	82%	0.818	74%	0.741	S	S	*	*				62.1	148.1	66.7	-79.6	-38.6	0	0	0	116.6
644	N	31.6	Very low	29	Very low	117 Å²	117	127.8 Å²	127.8	63%	0.626	73%	0.731	S	S	*	*			cis	-171.9	177.9	-31.8	-145.1	-40.7	0	0	0	109.8
645	F	27.2	Very low	29	Very low	177 Å²	177	128.4 Å²	128.4	78%	0.776	73%	0.73	S	S	*	*			trans	63.2	135.4	173.4	-62.9	-83.6	0	0	0	117.9
646	N	29.5	Very low	29.1	Very low	127 Å²	127	127.5 Å²	127.5	68%	0.679	73%	0.725	S	S	*	*			cis	113.1	146.6	2.1	-165.7	38.1	0	0	0	115.9
647	N	29.7	Very low	29.3	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	72%	0.722	S	S	*	*			trans	68	142.7	176.1	-65.6	-23.3	0	0	0	118.1
648	G	27.3	Very low	28.7	Very low	56 Å²	56	131 Å²	131	58%	0.577	73%	0.73	S	S	*	*			cis	158.9	167.7	-11.2	0	0	0	0	0	115.1
649	T	28.7	Very low	28.9	Very low	142 Å²	142	126.7 Å²	126.7	87%	0.871	72%	0.721	S	S	*	*			trans	62.5	147.6	163.6	40.5	0	0	0	0	118.8
650	S	26.6	Very low	27.9	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	74%	0.735	S	S	*	*			cis	-151.8	132	-5.5	42.9	0	0	0	0	110.9
651	L	28	Very low	27.5	Very low	152 Å²	152	128 Å²	128	80%	0.796	74%	0.738	S	S	*	*				58.7	112	110.2	-52.8	177.1	0	0	0	115
652	S	25.3	Very low	27.1	Very low	81 Å²	81	126.1 Å²	126.1	57%	0.566	74%	0.736	S	S	*	*			cis	91.6	128.1	45.7	72.2	0	0	0	0	113.8
653	L	25.2	Very low	26.8	Very low	174 Å²	174	128.4 Å²	128.4	91%	0.911	74%	0.742	S	S	*	*			trans	-105.7	121.1	155.7	-110.5	74.4	0	0	0	109.2
654	N	27	Very low	26.6	Very low	118 Å²	118	130 Å²	130	63%	0.631	74%	0.741	S	S	*	*			trans	-82.3	-167.9	159.2	-60.5	-7.9	0	0	0	107.6
655	D	24.9	Very low	26.1	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	75%	0.75	S	S	*	*			cis	-156.9	175.7	15.3	-137.5	-33.4	0	0	0	114.1
656	T	25.1	Very low	25.9	Very low	111 Å²	111	132.8 Å²	132.8	68%	0.681	76%	0.755	S	S	*	*			trans	-107.5	156.5	158.7	-49.3	0	0	0	0	109
657	T	28	Very low	25.7	Very low	115 Å²	115	130.1 Å²	130.1	71%	0.706	76%	0.758	S	S	*	*			trans	78.5	116.5	172.9	78.8	0	0	0	0	117.5
658	H	27.4	Very low	25.5	Very low	200 Å²	200	127.2 Å²	127.2	93%	0.926	76%	0.762	S	S	*	*				-142.4	153.2	112.1	-71.9	-73.7	0	0	0	106.2
659	G	27.1	Very low	26	Very low	61 Å²	61	131.8 Å²	131.8	63%	0.629	77%	0.773	S	S	*	*			cis	127.4	130.7	-2.1	0	0	0	0	0	111.8
660	V	27.3	Very low	26.4	Very low	135 Å²	135	131.4 Å²	131.4	82%	0.818	77%	0.766	S	S	*	*			trans	83	133.1	166.5	-171	0	0	0	0	117.7
661	E	22.4	Very low	26.8	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	78%	0.775	S	S	*	*			trans	31.3	141.5	158	-64.4	173.9	154.5	0	0	126.4
662	S	22.9	Very low	26.9	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	77%	0.774	S	S	*	*			trans	3.1	133.2	137.8	-52	0	0	0	0	121
663	S	23.2	Very low	27.1	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	79%	0.79	S	S	*	*			trans	125.8	106.8	141.3	-57	0	0	0	0	116.3
664	K	24.7	Very low	27.2	Very low	187 Å²	187	127.9 Å²	127.9	81%	0.813	79%	0.787	S	S	*	*			trans	11	132.1	146.6	-53.7	171	-177.5	174.4	0	119
665	F	21.4	Very low	27.3	Very low	186 Å²	186	125.7 Å²	125.7	82%	0.816	79%	0.792	S	S	*	*				176.8	137.4	111	-98.5	-66.7	0	0	0	113.8
666	L	22.8	Very low	27.5	Very low	165 Å²	165	126.2 Å²	126.2	86%	0.864	79%	0.794	S	S	*	*			trans	56.3	157.1	156.2	-66.4	156.3	0	0	0	119.4
667	G	24.1	Very low	27.6	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	80%	0.8	S	S	*	*			cis	120.2	125.3	-1.1	0	0	0	0	0	112.2
668	G	26.8	Very low	27.6	Very low	84 Å²	84	127.9 Å²	127.9	87%	0.866	80%	0.803	S	S	*	*			cis	-160.6	-159.4	2.8	0	0	0	0	0	112.5
669	N	36.8	Very low	27.6	Very low	153 Å²	153	122.4 Å²	122.4	82%	0.818	80%	0.8	S	S	*	*			trans	-97.8	137.1	-172.5	-160.4	43.2	0	0	0	113.9
670	N	38.3	Very low	27.3	Very low	133 Å²	133	124.1 Å²	124.1	71%	0.711	81%	0.808	S	S	*	*	S	Bend	trans	29.3	117.7	168.3	-70.8	-3.6	0	0	0	121.8
671	N	34.5	Very low	28.2	Very low	163 Å²	163	122.6 Å²	122.6	87%	0.872	80%	0.801	S	S	*	*			trans	51.1	119.6	146.5	-67.2	1	0	0	0	121.6
672	G	28.7	Very low	28.2	Very low	74 Å²	74	120.4 Å²	120.4	76%	0.763	80%	0.795	S	S	*	*				106.1	80.2	125.2	0	0	0	0	0	119.4
673	A	29.4	Very low	28.3	Very low	110 Å²	110	125.4 Å²	125.4	91%	0.909	80%	0.799	S	S	*	*			trans	51.6	129.5	146.8	0	0	0	0	0	121.8
674	G	28.3	Very low	29.4	Very low	82 Å²	82	125.1 Å²	125.1	85%	0.845	80%	0.795	S	S	*	*			trans	114.5	86.8	139.5	0	0	0	0	0	119.8
675	G	28.1	Very low	29.7	Very low	72 Å²	72	120 Å²	120	74%	0.742	80%	0.795	S	S	*	*				93.1	114.1	124	0	0	0	0	0	122.4
676	I	29.2	Very low	29.9	Very low	151 Å²	151	116.3 Å²	116.3	77%	0.774	79%	0.792	S	S	*	*			trans	66	109.7	134	-42.5	177.6	0	0	0	120.1
677	N	28.2	Very low	30	Very low	151 Å²	151	115.2 Å²	115.2	81%	0.807	79%	0.786	S	S	*	*			trans	61.2	158.1	148.7	-65	-2.9	0	0	0	121.1
678	S	28.2	Very low	30.5	Very low	110 Å²	110	121.9 Å²	121.9	77%	0.769	79%	0.791	S	S	*	*			cis	-175.5	138.4	-32.4	57.2	0	0	0	0	109.5
679	G	27.3	Very low	31.5	Very low	84 Å²	84	122.5 Å²	122.5	87%	0.866	78%	0.779	S	S	*	*			trans	138.4	144.3	159.4	0	0	0	0	0	117.8
680	A	20.8	Very low	31.2	Very low	97 Å²	97	125.5 Å²	125.5	80%	0.802	78%	0.779	S	S	*	*			trans	-134.5	-175.5	163.7	0	0	0	0	0	106.4
681	P	45.3	Very low	30.9	Very low	104 Å²	104	126.9 Å²	126.9	68%	0.675	78%	0.779	S	S	*	*			cis	-140.3	-156.2	2.8	38.6	-15.5	0	0	0	114
682	N	23.3	Very low	30.5	Very low	129 Å²	129	128.2 Å²	128.2	69%	0.69	78%	0.777	S	S	*	*			trans	78.7	119.8	142.5	-82.5	1.4	0	0	0	123.8
683	Y	24.4	Very low	30.3	Very low	210 Å²	210	127.8 Å²	127.8	82%	0.824	77%	0.773	S	S	*	*				71.6	171.4	129.7	-89	-54.9	0	0	0	119.8
684	P	46.3	Very low	31.7	Very low	111 Å²	111	128.5 Å²	128.5	72%	0.721	77%	0.768	S	S	*	*				-123.6	163.3	-128.8	43.9	-30.4	0	0	0	117.2
685	G	30.7	Very low	33.3	Very low	80 Å²	80	129.9 Å²	129.9	83%	0.825	76%	0.762	S	S	*	*			trans	53.7	106.6	141	0	0	0	0	0	120.2
686	S	26	Very low	33.3	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	77%	0.768	S	S	*	*			trans	-150.7	128.3	163.7	-162.9	0	0	0	0	114.1
687	L	25.5	Very low	33.6	Very low	141 Å²	141	132.7 Å²	132.7	74%	0.738	77%	0.77	S	S	*	*			trans	39.4	111.4	144.4	-53.3	173.3	0	0	0	121.9
688	Y	34.6	Very low	34.7	Very low	213 Å²	213	131.4 Å²	131.4	84%	0.835	77%	0.77	S	S	*	*				49.2	166.7	113.7	-75	-53.2	0	0	0	123.3
689	P	48.5	Very low	34.7	Very low	96 Å²	96	131.2 Å²	131.2	62%	0.623	77%	0.769	S	S	*	*			cis	-141.9	175.7	-23.5	35.7	-16.5	0	0	0	117.1
690	R	29.9	Very low	35.8	Very low	217 Å²	217	133.3 Å²	133.3	82%	0.819	77%	0.767	S	S	*	*			trans	71.7	162.3	149.5	-83.2	171.8	165.4	177.9	-2.2	117.1
691	K	30.9	Very low	36.1	Very low	162 Å²	162	131.8 Å²	131.8	70%	0.704	76%	0.761	S	S	*	*			cis	-159.1	165.5	10.6	-138.6	169.4	-176.5	-179.4	0	113.4
692	K	26.9	Very low	35.4	Very low	191 Å²	191	132.2 Å²	132.2	83%	0.83	77%	0.767	S	S	*	*			trans	81.6	121.7	154.8	-71.6	-175.1	174.4	-174.6	0	122.6
693	G	25	Very low	35.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	78%	0.775	S	S	*	*				-102.4	-144.4	116.5	0	0	0	0	0	108.5
694	P	58.3	Low	35.8	Very low	125 Å²	125	130 Å²	130	81%	0.812	77%	0.772	S	S	*	*			cis	-123.3	-125.9	-15.5	36.9	-14.4	0	0	0	108.8
695	P	61.8	Low	34.9	Very low	111 Å²	111	129.5 Å²	129.5	72%	0.721	78%	0.778	S	S	*	*			cis	-133.1	-177.7	-37.8	39.1	-22.1	0	0	0	115
696	S	28.3	Very low	34.8	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	78%	0.779	S	S	*	*				-179.7	162.4	122.6	62	0	0	0	0	115.4
697	L	35.7	Very low	35	Very low	159 Å²	159	133 Å²	133	83%	0.832	78%	0.779	S	S	*	*			trans	-110.4	171.8	176.6	-109.4	164.9	0	0	0	108.5
698	P	51	Low	36.2	Very low	124 Å²	124	131.8 Å²	131.8	81%	0.805	78%	0.779	S	S	*	*				-151.6	-174.4	56.7	42.1	-19.5	0	0	0	118.2
699	S	29.3	Very low	37	Very low	105 Å²	105	127 Å²	127	73%	0.734	77%	0.774	S	S	*	*			trans	-99	168	167.7	-151.1	0	0	0	0	109.9
700	P	49.8	Very low	36.1	Very low	128 Å²	128	127 Å²	127	83%	0.831	78%	0.777	S	S	*	*				-154.6	174.7	71.9	41.7	-21.9	0	0	0	117.7
701	G	27.1	Very low	36.3	Very low	66 Å²	66	125.7 Å²	125.7	68%	0.68	78%	0.78	S	S	*	*			trans	119.1	106	131.5	0	0	0	0	0	121.9
702	S	29.6	Very low	36.2	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	79%	0.789	S	S	*	*			trans	65.2	111.3	130.1	-59.8	0	0	0	0	124.9
703	K	28.1	Very low	36.5	Very low	201 Å²	201	127.6 Å²	127.6	87%	0.874	79%	0.794	S	S	*	*				64.6	137.6	123.4	-63.8	-176.3	178.2	-178	0	123.5
704	A	28	Very low	36.6	Very low	92 Å²	92	128 Å²	128	76%	0.76	80%	0.798	S	S	*	*			trans	64.9	140.4	153.1	0	0	0	0	0	118.2
705	A	27.2	Very low	35.1	Very low	100 Å²	100	128.7 Å²	128.7	83%	0.826	80%	0.8	S	S	*	*			cis	83.5	81.6	10.4	0	0	0	0	0	118.2
706	T	29	Very low	33.5	Very low	140 Å²	140	128 Å²	128	86%	0.859	80%	0.798	S	S	*	*			trans	-149.7	153.8	155.3	-22.3	0	0	0	0	111
707	T	29.7	Very low	33.4	Very low	122 Å²	122	129.5 Å²	129.5	75%	0.748	80%	0.796	S	S	*	*			trans	-107.9	-165.3	166.5	50.3	0	0	0	0	109.3
708	P	51	Low	33	Very low	114 Å²	114	128 Å²	128	74%	0.74	80%	0.798	S	S	*	*				-103.4	-144.2	-67.8	39	-23.1	0	0	0	108.6
709	P	51.7	Low	31.9	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	80%	0.8	S	S	*	*			cis	-134	-151.7	-14	43.1	-22.6	0	0	0	114.3
710	S	30.1	Very low	31.7	Very low	97 Å²	97	134.7 Å²	134.7	68%	0.678	80%	0.803	S	S	*	*			trans	85.9	97.6	160.5	79.2	0	0	0	0	122.1
711	E	32.9	Very low	30.5	Very low	188 Å²	188	135.7 Å²	135.7	88%	0.879	80%	0.795	S	S	*	*				68.7	153	118.7	-67.7	177.4	161.3	0	0	124.7
712	E	30.8	Very low	30.4	Very low	194 Å²	194	139.7 Å²	139.7	91%	0.907	80%	0.8	S	S	*	*			trans	75.4	160.9	170.6	-56.5	-130	122.3	0	0	120.4
713	E	31.7	Very low	30.1	Very low	200 Å²	200	146.9 Å²	146.9	94%	0.935	81%	0.81	S	S	*	*			trans	-100.6	160.3	-148.1	-56.3	-168	127.6	0	0	116.3
714	G	26.9	Very low	29.8	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	80%	0.803	S	S	*	*			trans	-172.9	59.4	-179	0	0	0	0	0	118.2
715	V	27.8	Very low	29.8	Very low	141 Å²	141	142.5 Å²	142.5	86%	0.855	80%	0.804	S	S	*	*			trans	28.6	135.6	148.2	-176.6	0	0	0	0	121.6
716	S	27	Very low	29.7	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	81%	0.808	S	S	*	*			trans	96.3	122.5	151.9	-96	0	0	0	0	122.5
717	N	26.7	Very low	29.6	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	80%	0.804	S	S	*	*			trans	48.1	127.2	135.2	-72.6	-25	0	0	0	122.1
718	S	26.9	Very low	29.4	Very low	127 Å²	127	145.9 Å²	145.9	89%	0.888	81%	0.81	S	S	*	*			trans	-150	123.7	143.3	-86.5	0	0	0	0	113
719	N	27.8	Very low	28.2	Very low	158 Å²	158	148 Å²	148	85%	0.845	82%	0.815	S	S	*	*			trans	-95.8	131.9	156.7	-96.5	-43.3	0	0	0	107.7
720	R	26.4	Very low	26.9	Very low	212 Å²	212	145.9 Å²	145.9	80%	0.8	81%	0.814	S	S	*	*				169.1	139.6	129.6	-95.6	170.1	172	-157.4	-3.6	115.8
721	F	23.6	Very low	26.8	Very low	150 Å²	150	152.6 Å²	152.6	66%	0.658	82%	0.824	S	S	*	*			trans	55.9	124.3	139.7	-60.3	-41.2	0	0	0	123.5
722	L	25.4	Very low	26.5	Very low	149 Å²	149	151.2 Å²	151.2	78%	0.78	82%	0.823	S	S	*	*				37.1	122.2	120.3	-55.9	167	0	0	0	119.3
723	W	23.8	Very low	26.3	Very low	265 Å²	265	144.9 Å²	144.9	100%	1.004	81%	0.81	S	S	*	*				-162.2	178.7	115.1	-109.1	-4.9	0	0	0	112.9
724	A	22.3	Very low	26.1	Very low	87 Å²	87	141.3 Å²	141.3	72%	0.719	80%	0.802	S	S	*	*			trans	-128.6	149.1	-170	0	0	0	0	0	113.9
725	S	27.2	Very low	26.1	Very low	113 Å²	113	146 Å²	146	79%	0.79	81%	0.805	S	S	*	*			trans	52.2	110.6	147.4	-56.6	0	0	0	0	121.6
726	V	25.9	Very low	26	Very low	151 Å²	151	150.5 Å²	150.5	92%	0.915	81%	0.807	S	S	*	*			trans	-139.2	150	137.1	-178.1	0	0	0	0	108.6
727	M	27	Very low	25.9	Very low	157 Å²	157	154.9 Å²	154.9	77%	0.773	81%	0.813	S	S	*	*			trans	-112.7	164.9	-173.9	-59	178.8	70.8	0	0	113.8
728	S	23.8	Very low	25.8	Very low	125 Å²	125	152.5 Å²	152.5	87%	0.874	81%	0.809	S	S	*	*			trans	-157.3	158.5	157.2	-80.7	0	0	0	0	111.2
729	N	26.9	Very low	25.6	Very low	158 Å²	158	152.4 Å²	152.4	85%	0.845	80%	0.803	S	S	*	*			trans	-122.5	157.6	-155.3	-68.4	-30.7	0	0	0	116.3
730	G	24.2	Very low	25.5	Very low	69 Å²	69	151 Å²	151	71%	0.711	80%	0.799	S	S	*	*			trans	139.4	106.1	160.9	0	0	0	0	0	112.2
731	R	28.3	Very low	25.5	Very low	238 Å²	238	149 Å²	149	90%	0.898	80%	0.804	S	S	*	*				58.9	131.3	80.1	-78.4	-170.5	172.5	176.7	-3.7	113.3
732	D	27	Very low	25.8	Very low	159 Å²	159	147 Å²	147	85%	0.85	81%	0.806	S	S	*	*			cis	-116.7	-178.2	16.6	-67.7	-48.7	0	0	0	113.1
733	G	25.8	Very low	25.9	Very low	61 Å²	61	152 Å²	152	63%	0.629	82%	0.815	S	S	*	*			cis	166.4	136.5	-13.3	0	0	0	0	0	114.4
734	T	28.3	Very low	26	Very low	126 Å²	126	146.7 Å²	146.7	77%	0.773	81%	0.806	S	S	*	*			trans	49.2	134.4	153.6	39.5	0	0	0	0	123.9
735	E	25.2	Very low	26.3	Very low	170 Å²	170	150.4 Å²	150.4	79%	0.794	81%	0.813	S	S	*	*			trans	74.3	151.8	150	-71.6	172.7	-166.1	0	0	116
736	W	25.9	Very low	26.2	Very low	236 Å²	236	148.5 Å²	148.5	89%	0.894	81%	0.811	S	S	*	*			cis	-122	155.3	35.8	-76.2	59	0	0	0	116.3
737	K	24.7	Very low	26.2	Very low	188 Å²	188	150.1 Å²	150.1	82%	0.817	81%	0.808	S	S	*	*			trans	-108.2	141	158.5	-80.3	-175.8	174.8	-179.6	0	109.7
738	S	25.5	Very low	26.1	Very low	103 Å²	103	153.2 Å²	153.2	72%	0.72	81%	0.811	S	S	*	*			trans	64.7	144.9	162.8	-51.7	0	0	0	0	116.8
739	V	23.4	Very low	26.1	Very low	126 Å²	126	154.6 Å²	154.6	76%	0.764	80%	0.804	S	S	*	*				175.2	129	105	153.7	0	0	0	0	110.3
740	T	24.6	Very low	26	Very low	127 Å²	127	155.7 Å²	155.7	78%	0.779	80%	0.801	S	S	*	*			trans	-40.2	128.5	163.7	-29.9	0	0	0	0	113.4	P742	T740-P742 WeakPolarHBondContact O-CD 3.49Å
741	L	27.1	Very low	25.9	Very low	170 Å²	170	159.2 Å²	159.2	89%	0.89	80%	0.804	S	S	*	*			trans	-86.9	126.1	166.6	-73	176.5	0	0	0	110.6
742	P	29.3	Very low	25.7	Very low	108 Å²	108	153.2 Å²	153.2	70%	0.701	80%	0.798	S	S	*	*			trans	-109.4	145.2	172.7	37.1	-28.5	0	0	0	112.6	T740	T740-P742 WeakPolarHBondContact O-CD 3.49Å
743	R	28.4	Very low	25.7	Very low	255 Å²	255	150.4 Å²	150.4	96%	0.962	79%	0.791	S	S	*	*				-167.1	168.8	126.5	-111.1	170	178	151.1	1.1	113.2
744	D	25.3	Very low	25.8	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	80%	0.8	S	S	*	*			trans	-101.3	178.4	-160.6	-146.7	-26.2	0	0	0	113.3
745	L	28.9	Very low	25.9	Very low	166 Å²	166	156 Å²	156	87%	0.869	81%	0.806	S	S	*	*			trans	-75.4	162.1	-164.6	-71.8	160.6	0	0	0	116.6
746	G	24.9	Very low	25.9	Very low	72 Å²	72	152 Å²	152	74%	0.742	81%	0.81	S	S	*	*			trans	-143.2	83.3	169.4	0	0	0	0	0	113.5
747	Q	26.2	Very low	25.9	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	81%	0.807	S	S	*	*			trans	43	127.3	159.5	-65.1	-176.1	-25.5	0	0	121.3
748	R	25.1	Very low	26.2	Very low	222 Å²	222	145.4 Å²	145.4	84%	0.838	81%	0.811	S	S	*	*				-171.3	142.1	106	-103.4	179.5	-158.2	-144.2	7.7	114.1
749	H	24	Very low	26.9	Very low	154 Å²	154	146.1 Å²	146.1	71%	0.713	81%	0.813	S	S	*	*			trans	53.5	124.4	161.9	-67.9	-79.8	0	0	0	122.5
750	F	23.6	Very low	27	Very low	180 Å²	180	144.8 Å²	144.8	79%	0.789	82%	0.815	S	S	*	*				10.9	147.3	123.1	-74.9	-105.5	0	0	0	118.2
751	D	22.4	Very low	27.4	Very low	144 Å²	144	146.8 Å²	146.8	77%	0.77	82%	0.82	S	S	*	*			cis	-158.9	-179.9	36.2	-140	-39.4	0	0	0	115.2
752	S	24.6	Very low	27.7	Very low	111 Å²	111	144.8 Å²	144.8	78%	0.776	82%	0.817	S	S	*	*			trans	91.8	132.4	154.4	-147	0	0	0	0	119.8
753	S	25.9	Very low	27.7	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	83%	0.828	S	S	*	*			trans	-103.1	168	178	55.9	0	0	0	0	111.6
754	T	29	Very low	27.5	Very low	135 Å²	135	147.9 Å²	147.9	83%	0.828	82%	0.82	S	S	*	*				160.8	152.1	120.3	-65.9	0	0	0	0	111.5
755	L	28.9	Very low	27.6	Very low	171 Å²	171	150.4 Å²	150.4	90%	0.895	82%	0.817	S	S	*	*			trans	-92.5	136.9	-176.3	-73.5	152.4	0	0	0	113.8
756	G	25.4	Very low	27.5	Very low	84 Å²	84	147.8 Å²	147.8	87%	0.866	81%	0.809	S	S	*	*			trans	76.4	154.5	131.4	0	0	0	0	0	120.7
757	G	26.5	Very low	27.7	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	79%	0.791	S	S	*	*			trans	127.2	113.7	162.2	0	0	0	0	0	116.8
758	K	31.4	Very low	28	Very low	206 Å²	206	141.2 Å²	141.2	90%	0.896	76%	0.761	S	S	*	*			trans	-97.7	170	148.7	-56.8	179.9	-179.3	178.6	0	106.8
759	P	39.9	Very low	28.2	Very low	118 Å²	118	134.4 Å²	134.4	77%	0.766	74%	0.738	S	S	*	*			cis	-144.3	-169.3	11.1	44	-24.4	0	0	0	116.4
760	A	26.2	Very low	28.5	Very low	97 Å²	97	135.1 Å²	135.1	80%	0.802	74%	0.74	S	S	*	*			trans	78.5	159.3	143.6	0	0	0	0	0	122.2
761	L	32.3	Very low	28.7	Very low	169 Å²	169	129.7 Å²	129.7	89%	0.885	74%	0.735	S	S	*	*			trans	-83.8	160.8	-178.3	-65.3	160.6	0	0	0	112.7
762	P	33.3	Very low	28.9	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	74%	0.737	S	S	*	*			trans	-132.7	170.6	133	37.1	-26.9	0	0	0	114.9
763	R	28.6	Very low	29	Very low	248 Å²	248	131.1 Å²	131.1	94%	0.936	74%	0.737	S	S	*	*			trans	-100.8	165.8	-176.6	-93.4	175.9	161.9	157.4	-7.2	113.3
764	K	25.8	Very low	29.1	Very low	181 Å²	181	130.3 Å²	130.3	79%	0.787	74%	0.736	S	S	*	*			trans	-32.4	144.2	166.9	-97.2	179.7	175.1	171.5	0	117.3
765	R	26	Very low	29	Very low	205 Å²	205	135.5 Å²	135.5	77%	0.774	74%	0.741	S	S	*	*				96.3	135.2	128	-90.3	-175.1	172.5	179.6	-3.8	122.1
766	T	27.2	Very low	28.9	Very low	111 Å²	111	138 Å²	138	68%	0.681	74%	0.738	S	S	*	*			trans	69.5	144.4	139.7	48.4	0	0	0	0	120.9
767	N	30.3	Very low	28.9	Very low	72 Å²	72	142.8 Å²	142.8	39%	0.385	74%	0.74	S	S	.	*			cis	-170.5	176.4	-20.3	-144.4	-26.5	0	0	0	111.7	R933 S934 A935	N767-R933 WeakPolarHBondContact OD1-CG 3.04Å; N767-S934 VanDerWaalsContact ND2-CA 3.28Å; N767-S934 WeakPolarHBondContact ND2-CA 3.5Å; N767-S934 PolarHBondContact ND2-O 2.83Å; N767-A935 HydrophobicContact CB-CB 3.53Å
768	E	30.8	Very low	28.9	Very low	49 Å²	49	141.9 Å²	141.9	23%	0.229	73%	0.731	C	S	.	*			trans	75.4	159.5	146.8	-88.9	-156.8	159	0	0	123.6	S934 A935 F936	E768-S934 WeakPolarHBondContact OE1-CB 3.45Å; E768-S934 PolarHBondContact OE1-OG 2.93Å; E768-A935 HydrophobicContact CB-CB 4.42Å; E768-A935 VanDerWaalsContact CD-CA 3.47Å; E768-A935 VanDerWaalsContact CD-O 3.26Å; E768-A935 HydrophobicContact CG-CB 3.94Å; E768-A935 PolarHBondContact OE1-N 3.43Å; E768-A935 VanDerWaalsContact OE1-O 3.09Å; E768-A935 WeakPolarHBondContact OE2-CA 3.24Å; E768-F936 PolarHBondContact OE2-N 3.39Å
769	Q	30.8	Very low	28.6	Very low	78 Å²	78	138.2 Å²	138.2	36%	0.364	73%	0.726	S	S	.	*			cis	-154.6	161.7	-3.1	-146.7	-174.3	58.6	0	0	115.2	F936	Q769-F936 VanDerWaalsContact CD-CZ 3.49Å; Q769-F936 VanDerWaalsContact NE2-CZ 3.28Å
770	K	30.4	Very low	28	Very low	169 Å²	169	139.8 Å²	139.8	74%	0.735	73%	0.727	S	S	*	*			trans	60.2	157	143	-106.6	-173.5	177	-178.5	0	125.4
771	G	26.1	Very low	28.2	Very low	67 Å²	67	140.9 Å²	140.9	69%	0.691	72%	0.724	S	S	*	*			trans	99.7	107.5	-178.9	0	0	0	0	0	111.8
772	E	28.1	Very low	29.1	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.813	72%	0.719	S	S	*	*			cis	58.9	125.6	40.4	-72.1	-171.9	116.7	0	0	114.1
773	S	26.4	Very low	30.4	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	71%	0.711	S	S	*	*			cis	-165.4	176	0.8	59.8	0	0	0	0	113.6
774	A	27.9	Very low	31	Very low	84 Å²	84	131.6 Å²	131.6	69%	0.694	71%	0.706	S	S	*	*			trans	121.1	135.5	138.9	0	0	0	0	0	121.2
775	R	27.5	Very low	31.3	Very low	243 Å²	243	133.8 Å²	133.8	92%	0.917	71%	0.709	S	S	*	*			trans	70.5	161.5	161.8	-56	178.5	-175.2	-163.3	0.4	119.1
776	R	26.8	Very low	31.4	Very low	224 Å²	224	131.7 Å²	131.7	85%	0.845	71%	0.712	S	S	*	*				-176.2	145.5	-58.4	-119.5	-168	-175.4	-174	3.6	109.6
777	M	24.4	Very low	31.3	Very low	184 Å²	184	132 Å²	132	91%	0.906	71%	0.71	S	S	*	*			trans	64.2	158.7	174.9	-60.3	172.8	168.5	0	0	115.1
778	G	26.7	Very low	31.1	Very low	62 Å²	62	133.8 Å²	133.8	64%	0.639	72%	0.724	S	S	*	*			cis	-169.5	143.1	-6.3	0	0	0	0	0	109.7
779	T	25.9	Very low	31.3	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	75%	0.747	S	S	*	*				100.5	105.2	90.4	-56.9	0	0	0	0	114.7
780	L	25.8	Very low	31.1	Very low	152 Å²	152	138.1 Å²	138.1	80%	0.796	77%	0.768	S	S	*	*			trans	38.5	113.7	141.3	-54	175.2	0	0	0	122.4
781	T	31.3	Very low	31.1	Very low	119 Å²	119	137.7 Å²	137.7	73%	0.73	77%	0.774	S	S	*	*				23.1	161.3	120.7	53.7	0	0	0	0	123.1
782	P	51.7	Low	31.2	Very low	120 Å²	120	140 Å²	140	78%	0.779	77%	0.774	S	S	*	*			cis	-131.8	-119.2	-12.4	26.3	1.8	0	0	0	115.5
783	P	59.1	Low	30.8	Very low	104 Å²	104	137.5 Å²	137.5	68%	0.675	78%	0.775	S	S	*	*				-123.4	-170.4	-119.2	42.5	-23.3	0	0	0	115.8
784	P	42.5	Very low	32.4	Very low	126 Å²	126	137.6 Å²	137.6	82%	0.818	77%	0.772	S	S	*	*				-137.7	-179.9	106.1	38.9	-28.1	0	0	0	115.1
785	R	30.6	Very low	32.5	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	77%	0.772	S	S	*	*			trans	-115.7	168.1	179.4	-66.8	179.3	175.5	171.1	-2.4	111.8
786	L	29	Very low	32.7	Very low	160 Å²	160	135.1 Å²	135.1	84%	0.838	77%	0.769	S	S	*	*			trans	138.6	141.2	143.6	-75.2	168	0	0	0	111.1
787	N	25.6	Very low	32.7	Very low	117 Å²	117	132 Å²	132	63%	0.626	77%	0.768	S	S	*	*			cis	-166	155.3	-28.8	-135.4	42.4	0	0	0	111
788	T	26.6	Very low	32.8	Very low	111 Å²	111	126.4 Å²	126.4	68%	0.681	76%	0.757	S	S	*	*			trans	26.9	148	142.4	55.2	0	0	0	0	122.9
789	S	32.9	Very low	32.8	Very low	103 Å²	103	131 Å²	131	72%	0.72	76%	0.76	S	S	*	*			cis	169.8	138.5	-14.8	50.4	0	0	0	0	109.9
790	S	28.2	Very low	33	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	75%	0.752	S	S	*	*			trans	176.2	117.9	150.4	54.2	0	0	0	0	114.7
791	D	29.4	Very low	33.3	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	75%	0.747	S	S	*	*				41.3	145.6	126.4	-91.4	-34.5	0	0	0	127
792	V	28.3	Very low	33.2	Very low	117 Å²	117	130.4 Å²	130.4	71%	0.709	75%	0.748	S	S	*	*			trans	84	101.8	143.2	174	0	0	0	0	122.6
793	C	21.1	Very low	32.2	Very low	121 Å²	121	129.4 Å²	129.4	82%	0.818	74%	0.744	S	S	*	*				54.6	-140	128.1	-53.2	0	0	0	0	122
794	P	58.7	Low	30.6	Very low	111 Å²	111	129.2 Å²	129.2	72%	0.721	75%	0.745	S	S	*	*				-133.4	-177.7	-106.1	42	-24.3	0	0	0	117.7
795	A	31.3	Very low	29.9	Very low	83 Å²	83	129.2 Å²	129.2	69%	0.686	75%	0.748	S	S	*	*			trans	17.4	134.5	142.6	0	0	0	0	0	123.1
796	F	30.6	Very low	29.7	Very low	193 Å²	193	121.7 Å²	121.7	85%	0.846	74%	0.741	S	S	*	*			trans	77.3	139.8	151.7	-91.4	-107.6	0	0	0	122.2
797	L	27.2	Very low	29.8	Very low	158 Å²	158	119.8 Å²	119.8	83%	0.827	74%	0.741	S	S	*	*			trans	80.4	150.6	152.1	-81.1	159.5	0	0	0	123
798	G	26.4	Very low	30.2	Very low	66 Å²	66	119.8 Å²	119.8	68%	0.68	75%	0.75	S	S	*	*			trans	124	102.7	-172.3	0	0	0	0	0	110.5
799	K	27.1	Very low	31.2	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.696	75%	0.753	S	S	*	*			cis	58.9	123.1	34.8	-66.1	-169.6	102.7	-64	0	112.1
800	D	29.5	Very low	31.1	Very low	119 Å²	119	123.4 Å²	123.4	64%	0.636	76%	0.758	S	S	*	*			cis	-142.7	178.2	-5.8	-64.6	-55.3	0	0	0	107.5
801	N	32.8	Very low	31.2	Very low	128 Å²	128	121.9 Å²	121.9	68%	0.684	75%	0.752	S	S	*	*			cis	-144.9	-161.3	4.4	-147	32	0	0	0	106.9
802	D	28.9	Very low	31.1	Very low	139 Å²	139	120 Å²	120	74%	0.743	75%	0.752	S	S	*	*			cis	-130.9	-167.7	1	-64.8	-88.4	0	0	0	107.9
803	S	29.6	Very low	31.1	Very low	100 Å²	100	120.4 Å²	120.4	70%	0.699	75%	0.754	S	S	*	*			cis	-147	154.6	3.2	51.8	0	0	0	0	112.3
804	S	27.3	Very low	32.5	Very low	99 Å²	99	119.3 Å²	119.3	69%	0.692	75%	0.746	S	S	*	*			trans	53.4	112.2	160.6	54.9	0	0	0	0	121.6
805	S	26.3	Very low	31.1	Very low	126 Å²	126	122.9 Å²	122.9	88%	0.881	75%	0.75	S	S	*	*			trans	57.4	133.4	143.2	57.6	0	0	0	0	121.4
806	G	27.1	Very low	31	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	75%	0.753	S	S	*	*			cis	161.8	137.8	-7.6	0	0	0	0	0	114.2
807	S	31.2	Very low	30.9	Very low	119 Å²	119	121.7 Å²	121.7	83%	0.832	75%	0.749	S	S	*	*			trans	64.9	102.3	163.4	-58.6	0	0	0	0	120.6
808	S	34.6	Very low	30.9	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	75%	0.746	S	S	*	*				29.6	151	113.2	-61.6	0	0	0	0	122
809	P	47.9	Very low	31	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	76%	0.756	S	S	*	*			cis	-142.2	-165.4	-7.4	41.7	-21.4	0	0	0	115.7
810	Q	30.4	Very low	31.7	Very low	179 Å²	179	129 Å²	129	84%	0.836	76%	0.762	S	S	*	*			trans	73.9	121.1	151.4	-76.6	-174.2	5.8	0	0	122.6
811	A	29.5	Very low	31.5	Very low	83 Å²	83	126.5 Å²	126.5	69%	0.686	77%	0.765	S	S	*	*				54.5	143.6	121.4	0	0	0	0	0	124.5
812	S	27	Very low	31.5	Very low	120 Å²	120	128.9 Å²	128.9	84%	0.839	78%	0.777	S	S	*	*			trans	85.6	147	141.6	72.6	0	0	0	0	122
813	T	28.5	Very low	31.5	Very low	124 Å²	124	126.9 Å²	126.9	76%	0.761	78%	0.78	S	S	*	*			trans	-72.6	175.6	162.9	60.6	0	0	0	0	110.6
814	P	50.1	Low	31.2	Very low	98 Å²	98	125.4 Å²	125.4	64%	0.636	78%	0.781	S	S	*	*			cis	-156.4	-170.8	27.1	42.9	-19	0	0	0	119.1
815	K	29.7	Very low	31.1	Very low	187 Å²	187	129.3 Å²	129.3	81%	0.813	79%	0.788	S	S	*	*			trans	51.7	116.7	138.4	-78.7	165.4	-175.9	175.2	0	120.5
816	V	28.8	Very low	30.9	Very low	123 Å²	123	130 Å²	130	75%	0.745	78%	0.777	S	S	*	*				84.9	126.7	82.3	162.7	0	0	0	0	115.9
817	V	29.2	Very low	30.7	Very low	127 Å²	127	132.1 Å²	132.1	77%	0.77	78%	0.776	S	S	*	*			trans	-175.9	114.5	139.2	141.1	0	0	0	0	106.6
818	K	26.6	Very low	30.5	Very low	173 Å²	173	131 Å²	131	75%	0.752	77%	0.768	S	S	*	*				56.3	116.5	89.6	-77.3	-177.6	176.6	179.2	0	113.3
819	R	30	Very low	30.1	Very low	236 Å²	236	134.1 Å²	134.1	89%	0.891	77%	0.767	S	S	*	*				59.9	142	92.1	-82.6	-168.2	-177.8	-178.8	2.4	113.4
820	P	40.8	Very low	29	Very low	128 Å²	128	135 Å²	135	83%	0.831	77%	0.771	S	S	*	*			cis	-120.9	-156.5	32	45	-32	0	0	0	112
821	G	25.6	Very low	28.9	Very low	68 Å²	68	132 Å²	132	70%	0.701	77%	0.769	S	S	*	*			cis	-176.2	163.4	1.7	0	0	0	0	0	113.8
822	L	32.9	Very low	28.8	Very low	177 Å²	177	131.8 Å²	131.8	93%	0.927	77%	0.768	S	S	*	*			trans	-81.1	163.5	165.3	-83.1	77.4	0	0	0	109.6
823	A	28.3	Very low	28.8	Very low	98 Å²	98	133.2 Å²	133.2	81%	0.81	77%	0.765	S	S	*	*			cis	-172.3	171.8	-17.9	0	0	0	0	0	107.9
824	G	24.1	Very low	28.8	Very low	69 Å²	69	136 Å²	136	71%	0.711	77%	0.769	S	S	*	*			trans	146.7	119	155.6	0	0	0	0	0	119.3
825	Q	24.6	Very low	28	Very low	180 Å²	180	134.9 Å²	134.9	84%	0.841	77%	0.769	S	S	*	*				71.9	164.6	129.3	-132.1	175.1	-52.8	0	0	121.8
826	E	23	Very low	28	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.664	76%	0.764	S	S	*	*			trans	84.8	103.8	153.2	-57.5	-97.5	123.6	0	0	122.6
827	T	22.4	Very low	27.8	Very low	114 Å²	114	132.8 Å²	132.8	70%	0.699	76%	0.757	S	S	*	*				81.7	148.4	126.6	72.4	0	0	0	0	125.5
828	S	25.8	Very low	27.6	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	76%	0.755	S	S	*	*			trans	80.3	98.8	138.3	-70.4	0	0	0	0	125.1
829	K	26.1	Very low	27.5	Very low	182 Å²	182	130.2 Å²	130.2	79%	0.791	75%	0.749	S	S	*	*				69.4	131.2	117.3	-70.6	178.9	177.6	177.2	0	123.5
830	T	26.6	Very low	27.1	Very low	132 Å²	132	126 Å²	126	81%	0.81	74%	0.744	S	S	*	*			trans	66.2	138.2	144.7	48.5	0	0	0	0	119.4
831	S	28	Very low	26.3	Very low	115 Å²	115	126 Å²	126	80%	0.804	74%	0.741	S	S	*	*			cis	-167.2	-170.4	-3.3	51.7	0	0	0	0	108.7
832	A	27.8	Very low	26.1	Very low	79 Å²	79	129.9 Å²	129.9	65%	0.653	75%	0.745	S	S	*	*			cis	-161.4	-176.4	14	0	0	0	0	0	112.9
833	L	26.9	Very low	26.5	Very low	150 Å²	150	126.2 Å²	126.2	79%	0.785	73%	0.732	S	S	*	*			trans	55.9	113.1	156.9	-65.1	179.2	0	0	0	122.1
834	Q	28.1	Very low	26.2	Very low	181 Å²	181	127 Å²	127	85%	0.846	73%	0.727	S	S	*	*			trans	57.3	142.2	135.4	-82.6	173.4	-38.6	0	0	120.7
835	A	32	Very low	26.2	Very low	76 Å²	76	131.6 Å²	131.6	63%	0.628	73%	0.734	S	S	*	*			cis	-148.6	138.9	-0	0	0	0	0	0	108.7
836	E	29.7	Very low	26.2	Very low	153 Å²	153	126.4 Å²	126.4	72%	0.715	73%	0.729	S	S	*	*				75.7	140.8	105.2	-73	-142.6	120.6	0	0	116.2	K838	E836-K838 IonicContact OE1-NZ 3.58Å
837	L	25.9	Very low	26.4	Very low	112 Å²	112	124.5 Å²	124.5	59%	0.586	74%	0.737	S	S	*	*			cis	-144.8	139.9	-1.5	-95.4	149.8	0	0	0	107.4
838	K	24.5	Very low	26.5	Very low	172 Å²	172	124.1 Å²	124.1	75%	0.748	75%	0.746	S	S	*	*				50.1	148	93.1	-63.6	-170.4	-151.6	123	0	116.6	E836	E836-K838 IonicContact OE1-NZ 3.58Å
839	A	24.6	Very low	26.5	Very low	74 Å²	74	123.1 Å²	123.1	61%	0.612	75%	0.75	S	S	*	*			cis	-176.3	176.5	-19.2	0	0	0	0	0	110.5
840	N	22.2	Very low	26.4	Very low	148 Å²	148	123.3 Å²	123.3	79%	0.791	75%	0.754	S	S	*	*			trans	72.5	127.1	136.7	-83.1	10.5	0	0	0	123.4
841	V	22.3	Very low	26.3	Very low	127 Å²	127	125 Å²	125	77%	0.77	75%	0.753	S	S	*	*				93.3	136.1	123.8	168	0	0	0	0	121.1
842	L	22.5	Very low	26.1	Very low	151 Å²	151	123.2 Å²	123.2	79%	0.791	74%	0.739	S	S	*	*			trans	-37	175.1	158.8	-100.1	66.4	0	0	0	117
843	P	41.1	Very low	26	Very low	99 Å²	99	130 Å²	130	64%	0.643	75%	0.748	S	S	*	*			cis	-137.7	-162	-5.8	31.9	-7.5	0	0	0	114.2
844	T	22	Very low	26.3	Very low	116 Å²	116	129.4 Å²	129.4	71%	0.712	75%	0.753	S	S	*	*			trans	6.3	150	144.9	60.2	0	0	0	0	120
845	L	25.1	Very low	26.1	Very low	165 Å²	165	131.6 Å²	131.6	86%	0.864	75%	0.754	S	S	*	*			cis	-175.7	143.6	48	-142.7	154.6	0	0	0	112.8
846	G	23.9	Very low	25.9	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	76%	0.76	S	S	*	*			trans	84.1	155.3	156.8	0	0	0	0	0	118.9
847	A	26.8	Very low	25.7	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	76%	0.757	S	S	*	*			cis	-165.6	162.7	-10.7	0	0	0	0	0	113.8
848	A	24.4	Very low	25.8	Very low	107 Å²	107	138.1 Å²	138.1	88%	0.884	76%	0.761	S	S	*	*			trans	74.9	154.7	152.5	0	0	0	0	0	123
849	G	25.7	Very low	25.9	Very low	74 Å²	74	138 Å²	138	76%	0.763	76%	0.763	S	S	*	*			trans	83.2	107.5	168.1	0	0	0	0	0	115.9
850	E	23.5	Very low	25.9	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	77%	0.766	S	S	*	*			cis	95.8	120.3	18	-152.2	175.7	-135.4	0	0	117.3
851	E	24.8	Very low	26.2	Very low	169 Å²	169	137 Å²	137	79%	0.79	77%	0.768	S	S	*	*			trans	64.8	148.2	154.7	-87.3	-122.3	131.1	0	0	126.8
852	C	23.9	Very low	26.3	Very low	76 Å²	76	138.1 Å²	138.1	51%	0.514	76%	0.764	S	S	.	*			trans	74.7	123.5	141.3	-95.5	0	0	0	0	126.1
853	R	25.2	Very low	26.4	Very low	222 Å²	222	137 Å²	137	84%	0.838	76%	0.759	S	S	*	*				42.1	140.2	116.9	-71.6	-178	177.9	157.2	1.7	120.5
854	P	33.4	Very low	25.7	Very low	137 Å²	137	136.6 Å²	136.6	89%	0.89	76%	0.764	S	S	*	*				-145.4	-166.9	85.4	38.7	-20.6	0	0	0	116.5
855	R	24.9	Very low	25.9	Very low	228 Å²	228	135.4 Å²	135.4	86%	0.86	76%	0.76	S	S	*	*			trans	-158.5	150.7	-163.6	-178.1	-173	-172.4	-172.6	6.2	111.5
856	R	27.6	Very low	25.8	Very low	203 Å²	203	134.2 Å²	134.2	77%	0.766	75%	0.754	S	S	*	*			trans	68.8	166.4	170.7	-89.3	177.5	126.6	153.6	4.3	115.3
857	N	26.5	Very low	25.9	Very low	122 Å²	122	139.8 Å²	139.8	65%	0.652	75%	0.754	S	S	*	*			cis	-157.1	-179.6	12.8	-124.4	-3.6	0	0	0	108.4
858	K	26.3	Very low	25.8	Very low	153 Å²	153	140.3 Å²	140.3	67%	0.665	74%	0.738	S	S	*	*			cis	-165.6	108.2	-9.7	173.6	-151.6	167	-169.9	0	110.9
859	H	26.8	Very low	25.9	Very low	168 Å²	168	144.8 Å²	144.8	78%	0.778	73%	0.733	S	S	*	*			trans	62.5	160.9	156.4	-49.5	-22.5	0	0	0	118.9
860	G	25.8	Very low	25.8	Very low	66 Å²	66	145.5 Å²	145.5	68%	0.68	73%	0.725	S	S	*	*			cis	156.5	-171.2	-7.5	0	0	0	0	0	112.1
861	V	27	Very low	25.9	Very low	137 Å²	137	144.8 Å²	144.8	83%	0.83	72%	0.719	S	S	*	*			trans	72.7	133.8	162.4	169.9	0	0	0	0	115
862	E	24.8	Very low	26	Very low	149 Å²	149	143 Å²	143	70%	0.696	71%	0.714	S	S	*	*			cis	-158.1	167	1.2	-129.1	-175.4	134.6	0	0	115.1
863	N	24.4	Very low	26.1	Very low	129 Å²	129	147.8 Å²	147.8	69%	0.69	73%	0.728	S	S	*	*			trans	21.7	125.7	135.8	-78.2	-24.6	0	0	0	120.8
864	A	26.1	Very low	26.4	Very low	89 Å²	89	146.2 Å²	146.2	74%	0.736	73%	0.728	S	S	*	*				99	162.6	81.5	0	0	0	0	0	112.1
865	S	26.1	Very low	26.4	Very low	91 Å²	91	146 Å²	146	64%	0.636	73%	0.726	S	S	*	*			cis	-173.5	174.1	-25.5	56.9	0	0	0	0	109.7
866	L	24.8	Very low	27	Very low	141 Å²	141	144.4 Å²	144.4	74%	0.738	73%	0.726	S	S	*	*			trans	69	159.3	162.8	-57.5	163.1	0	0	0	114.8
867	R	25.6	Very low	27.1	Very low	187 Å²	187	141 Å²	141	71%	0.706	73%	0.73	S	S	*	*			cis	-153.4	161.8	0.8	-136.4	166.2	171.5	145.1	4.3	112.8
868	E	25	Very low	27.4	Very low	112 Å²	112	139.4 Å²	139.4	52%	0.523	73%	0.734	S	S	.	*			trans	12.8	152	140.9	-68.6	179.4	105.3	0	0	121
869	R	25.5	Very low	28.1	Very low	202 Å²	202	137.8 Å²	137.8	76%	0.762	74%	0.739	S	S	*	*			cis	-166.3	160.5	15.9	-128.9	173	-156.5	-170.3	10.6	112.2
870	S	24.8	Very low	28.4	Very low	88 Å²	88	135.5 Å²	135.5	62%	0.615	74%	0.739	S	S	*	*			trans	28.9	152.4	130.9	-68.4	0	0	0	0	122.4
871	K	25.4	Very low	29	Very low	171 Å²	171	136.1 Å²	136.1	74%	0.743	73%	0.731	S	S	*	*			cis	-179.1	152.1	-4.5	-106.3	170.7	-178.8	-178.7	0	108.4
872	I	27.1	Very low	30.2	Very low	133 Å²	133	132.9 Å²	132.9	68%	0.682	71%	0.713	S	S	*	*			trans	54.1	134.3	134.1	-62	173.7	0	0	0	118.8
873	H	25.8	Very low	31.1	Very low	175 Å²	175	130.1 Å²	130.1	81%	0.81	71%	0.708	S	S	*	*			cis	-157	-172.2	11.2	-127.3	2.6	0	0	0	114.7
874	K	31.4	Very low	31.6	Very low	189 Å²	189	128.1 Å²	128.1	82%	0.822	70%	0.7	S	S	*	*			trans	-74.2	161.6	174.2	-81.9	174.9	177.5	171.4	0	113.1
875	P	33.4	Very low	32.2	Very low	132 Å²	132	126.8 Å²	126.8	86%	0.857	70%	0.696	S	S	*	*				-148.9	-172.4	72.4	39.8	-17.8	0	0	0	118.6
876	K	36.3	Very low	34	Very low	195 Å²	195	128.8 Å²	128.8	85%	0.848	71%	0.706	S	S	*	*			trans	-77.6	163.4	-177.5	-94.9	-177.7	171.6	-177.8	0	114.1
877	P	29.6	Very low	34.3	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	71%	0.713	S	S	*	*				-136	-164.9	109.2	39.6	-29.3	0	0	0	114.7
878	A	33.7	Very low	34.9	Very low	89 Å²	89	128.5 Å²	128.5	74%	0.736	72%	0.719	S	S	*	*			trans	-135.1	167.8	-177.2	0	0	0	0	0	111.6
879	P	39.8	Very low	35.1	Very low	120 Å²	120	126.7 Å²	126.7	78%	0.779	73%	0.731	S	S	*	*			trans	-107.7	155.3	-156.3	39.3	-35.3	0	0	0	117.7
880	P	33.5	Very low	35.6	Very low	120 Å²	120	126.7 Å²	126.7	78%	0.779	74%	0.736	S	S	*	*			trans	-129	-155.9	155.7	44.2	-29.3	0	0	0	111.9
881	P	39.1	Very low	35.9	Very low	79 Å²	79	130.1 Å²	130.1	51%	0.513	75%	0.746	S	S	.	*				-109.5	156.6	-115.9	10.5	15	0	0	0	117.9	E631	E631-P881 WeakPolarHBondContact O-CG 3.25Å
882	P	52.6	Low	37.1	Very low	69 Å²	69	127.4 Å²	127.4	45%	0.448	75%	0.746	S	S	.	*			trans	-78.6	-151.7	173.8	-16.6	31.2	0	0	0	117.6	F630 E631	F630-P882 CarbonylContact C-O 3.31Å; F630-P882 VanDerWaalsContact C-O 3.31Å; F630-P882 HydrophobicContact CB-CB 3.81Å; F630-P882 HydrophobicContact CB-CG 4.23Å; F630-P882 WeakPolarHBondContact CB-O 3.42Å; F630-P882 HydrophobicContact CD1-CB 3.65Å; F630-P882 HydrophobicContact CD1-CG 4.05Å; F630-P882 HydrophobicContact CD2-CB 4.48Å; F630-P882 HydrophobicContact CD2-CG 4.13Å; F630-P882 HydrophobicContact CE1-CB 4.35Å; F630-P882 HydrophobicContact CE1-CG 4.47Å; F630-P882 HydrophobicContact CG-CB 3.73Å; F630-P882 HydrophobicContact CG-CG 3.87Å; E631-P882 CarbonylContact C-O 2.88Å; E631-P882 WeakPolarHBondContact CA-O 3.39Å; E631-P882 PolarHBondContact N-O 2.73Å
883	P	43.2	Very low	37.3	Very low	90 Å²	90	133 Å²	133	58%	0.584	76%	0.759	S	S	*	*			trans	-117.9	-175.2	-179.7	43.5	-34.7	0	0	0	119.9	F630	F630-P883 WeakPolarHBondContact CD1-O 3.43Å; F630-P883 PolarHBondContact N-O 2.98Å; F630-P883 CarbonylContact O-C 3.54Å; F630-P883 VanDerWaalsContact O-CA 3.29Å; F630-P883 WeakPolarHBondContact O-CA 3.48Å; F630-P883 VanDerWaalsContact O-O 3.13Å
884	T	35.7	Very low	37.9	Very low	87 Å²	87	129.8 Å²	129.8	53%	0.534	76%	0.756	S	S	.	*			trans	-94.8	179.9	-170.9	28.2	0	0	0	0	116.3	F630 E631	F630-T884 WeakPolarHBondContact O-CG2 3.18Å; F630-T884 PolarHBondContact O-N 3.19Å; F630-T884 VanDerWaalsContact O-N 3.16Å; E631-T884 HydrophobicContact CG-CG2 4Å; E631-T884 WeakPolarHBondContact OE1-CB 3.4Å; E631-T884 WeakPolarHBondContact OE1-CG2 3.31Å; E631-T884 PolarHBondContact OE1-OG1 3.23Å
885	G	37	Very low	39.1	Very low	62 Å²	62	125.6 Å²	125.6	64%	0.639	75%	0.747	S	S	*	*			cis	-175.6	-172.9	7.5	0	0	0	0	0	115.7
886	P	64.8	Low	39	Very low	132 Å²	132	124.9 Å²	124.9	86%	0.857	74%	0.741	S	S	*	*			trans	-128.4	176.9	-157.9	43	-30.2	0	0	0	119.3
887	K	31.6	Very low	38.7	Very low	201 Å²	201	123 Å²	123	87%	0.874	74%	0.735	S	S	*	*			trans	-148	116.3	170.6	-107.9	-178.9	-177.7	178.6	0	117.5
888	S	38.3	Very low	38.4	Very low	121 Å²	121	123.4 Å²	123.4	85%	0.846	73%	0.726	S	S	*	*			trans	38.4	144.6	147.3	56.9	0	0	0	0	125
889	G	28.1	Very low	38.1	Very low	74 Å²	74	123.3 Å²	123.3	76%	0.763	72%	0.72	S	S	*	*			cis	162	160	-10.4	0	0	0	0	0	118.4
890	K	35.4	Very low	38.8	Very low	202 Å²	202	122.5 Å²	122.5	88%	0.878	71%	0.714	S	S	*	*			trans	58.3	108.2	154.5	-62.6	-175.1	178.6	-179.1	0	125.8
891	I	32.3	Very low	38.7	Very low	161 Å²	161	122.9 Å²	122.9	83%	0.826	71%	0.714	S	S	*	*				36.2	128.5	111.4	-65.5	175.1	0	0	0	119.4
892	P	50.3	Low	38.3	Very low	113 Å²	113	124.4 Å²	124.4	73%	0.734	73%	0.727	S	S	*	*				-159.3	156.9	80.4	42	-21.1	0	0	0	122.7
893	R	30.3	Very low	37.3	Very low	252 Å²	252	126.4 Å²	126.4	95%	0.951	74%	0.742	S	S	*	*			trans	58.8	153.2	144.3	-74.5	-175.9	174.1	171.4	-2.2	124.8
894	S	40.3	Very low	37.8	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	75%	0.75	S	S	*	*			trans	-115.1	-167.9	173.4	63	0	0	0	0	109.7
895	P	54.8	Low	37.4	Very low	100 Å²	100	128.4 Å²	128.4	65%	0.649	76%	0.759	S	S	*	*			cis	-151.6	-177.6	28.7	41.5	-17.3	0	0	0	120.4
896	T	32.4	Very low	37.2	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.724	77%	0.768	S	S	*	*			trans	63.8	156.5	151.9	38.4	0	0	0	0	120
897	Q	29.1	Very low	35.5	Very low	155 Å²	155	130 Å²	130	72%	0.724	76%	0.763	S	S	*	*			cis	-154.9	-173.8	13.1	-134.9	161	-49.9	0	0	109.1
898	E	24.3	Very low	36.5	Very low	140 Å²	140	125.9 Å²	125.9	65%	0.654	76%	0.758	S	S	*	*			cis	-157.3	-162.9	3.1	-170.1	34.9	-83	0	0	110.1
899	S	27.3	Very low	36.3	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	75%	0.752	S	S	*	*			trans	-148	-154.4	-172.5	65.8	0	0	0	0	110.3
900	P	53.8	Low	36.6	Very low	103 Å²	103	128.7 Å²	128.7	67%	0.669	75%	0.754	S	S	*	*			cis	-134.4	-156.1	-18.4	29	-3.3	0	0	0	113.9
901	V	33	Very low	36.6	Very low	127 Å²	127	125 Å²	125	77%	0.77	74%	0.742	S	S	*	*			trans	67.6	142	162.4	-115.3	0	0	0	0	118.1
902	S	30	Very low	36.6	Very low	112 Å²	112	126.1 Å²	126.1	78%	0.783	74%	0.741	S	S	*	*			cis	-147.3	173.1	23.8	-60.6	0	0	0	0	116.2
903	S	31.3	Very low	35.6	Very low	110 Å²	110	126.2 Å²	126.2	77%	0.769	75%	0.745	S	S	*	*			trans	-107.8	-165.5	-172.6	-19.2	0	0	0	0	113.1
904	P	54.5	Low	35.7	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	75%	0.745	S	S	*	*			cis	-137.5	-174.9	-30.9	37	-18.3	0	0	0	115
905	S	27.6	Very low	35	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	75%	0.748	S	S	*	*			trans	127.9	143.4	133.3	79.7	0	0	0	0	121.4
906	S	32.2	Very low	33.6	Very low	119 Å²	119	126.6 Å²	126.6	83%	0.832	76%	0.759	S	S	*	*			trans	64.9	155.7	151	-17.6	0	0	0	0	125
907	S	28.6	Very low	34.6	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	76%	0.755	S	S	*	*			trans	-119.9	-169.4	176.9	61.3	0	0	0	0	110.5
908	P	52.2	Low	34.5	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	76%	0.759	S	S	*	*			cis	-134.8	-161.9	-11.4	40.6	-19.6	0	0	0	115.2
909	S	35.1	Very low	34.6	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	76%	0.763	S	S	*	*			trans	-32.8	149.9	173.1	56	0	0	0	0	124.3
910	D	33.6	Very low	34.5	Very low	148 Å²	148	128.1 Å²	128.1	79%	0.791	77%	0.769	S	S	*	*			trans	-173.1	-167.6	134.3	-125.3	22.7	0	0	0	111.2
911	I	35.7	Very low	33.2	Very low	125 Å²	125	130.4 Å²	130.4	64%	0.641	78%	0.776	S	S	*	*				-156.1	173.1	-83.6	-157.7	166.8	0	0	0	113.3
912	K	31.7	Very low	33.8	Very low	184 Å²	184	129.4 Å²	129.4	80%	0.8	77%	0.772	S	S	*	*			trans	71.3	166.8	162.6	-86.7	171.8	-175.4	167.1	0	118.2
913	S	29.3	Very low	33.7	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	77%	0.769	S	S	*	*			cis	-152.6	172.1	2	14.4	0	0	0	0	113.2
914	K	33.8	Very low	33.8	Very low	219 Å²	219	133.3 Å²	133.3	95%	0.952	77%	0.765	S	S	*	*			trans	-97	159.3	172.6	-67.8	-176.9	175.7	-176.3	0	113.1
915	G	25.3	Very low	32.7	Very low	79 Å²	79	133.6 Å²	133.6	81%	0.814	77%	0.765	S	S	*	*			trans	-154.6	157.1	167.7	0	0	0	0	0	113.1
916	L	25.3	Very low	32.7	Very low	169 Å²	169	135.2 Å²	135.2	89%	0.885	77%	0.77	S	S	*	*			trans	-140.2	177	-175.1	-89.7	168.6	0	0	0	107.5
917	P	53.2	Low	32.9	Very low	97 Å²	97	134 Å²	134	63%	0.63	77%	0.767	S	S	*	*			cis	-140	-173.3	-21.5	33.1	-11.4	0	0	0	115.2
918	F	26.1	Very low	33.2	Very low	187 Å²	187	133.4 Å²	133.4	82%	0.82	77%	0.769	S	S	*	*			trans	78.9	140.8	136.3	-95.5	-52	0	0	0	125.1
919	I	26.1	Very low	32.4	Very low	145 Å²	145	133 Å²	133	74%	0.744	77%	0.769	S	S	*	*			trans	96.5	132.2	143.6	-73.5	163.8	0	0	0	121.2
920	S	26.5	Very low	32.4	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	76%	0.764	S	S	*	*			trans	67.2	117.4	155.9	67.7	0	0	0	0	123.7
921	D	25.9	Very low	32.7	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	76%	0.764	S	S	*	*			trans	-39.1	170.8	136	-61.1	-79.6	0	0	0	114.3
922	P	45.8	Very low	32.9	Very low	106 Å²	106	134 Å²	134	69%	0.688	77%	0.766	S	S	*	*			cis	-154.5	175.6	28.2	44.8	-23	0	0	0	121.5
923	H	28.7	Very low	33.1	Very low	155 Å²	155	134.5 Å²	134.5	72%	0.718	76%	0.762	S	S	*	*			trans	59.6	124.4	140.4	-79.3	-61	0	0	0	124.9
924	H	32.9	Very low	33.5	Very low	148 Å²	148	132.8 Å²	132.8	69%	0.685	75%	0.75	S	S	*	*				90	135.6	127.9	-81.3	-50	0	0	0	125.1
925	T	30.4	Very low	33.6	Very low	122 Å²	122	124.7 Å²	124.7	75%	0.748	73%	0.725	S	S	*	*			trans	69.7	157.4	146.4	51.7	0	0	0	0	118.6
926	T	28.9	Very low	33.9	Very low	138 Å²	138	127.9 Å²	127.9	85%	0.847	72%	0.716	S	S	*	*			cis	-147.7	-168.2	2.3	-12.3	0	0	0	0	110.8
927	A	35.1	Very low	34.3	Very low	93 Å²	93	124.9 Å²	124.9	77%	0.769	71%	0.705	S	S	*	*			trans	-124	167.7	178.4	0	0	0	0	0	114.7
928	A	35.5	Very low	33.3	Very low	95 Å²	95	129.7 Å²	129.7	79%	0.785	72%	0.719	S	S	*	*			trans	91.1	116.3	156.3	0	0	0	0	0	123.1
929	S	35.9	Very low	33.2	Very low	107 Å²	107	124.2 Å²	124.2	75%	0.748	72%	0.716	S	S	*	*				86.3	120.5	129.9	-71.2	0	0	0	0	126.7
930	D	35.1	Very low	34.5	Very low	121 Å²	121	122.5 Å²	122.5	65%	0.647	71%	0.714	S	S	*	*			trans	72.2	109.4	131.8	-68.9	-64.4	0	0	0	127.6
931	Q	39.2	Very low	34.8	Very low	169 Å²	169	126.5 Å²	126.5	79%	0.79	72%	0.718	S	S	*	*				64.3	164.6	122	-66	-168.2	80.3	0	0	122.4
932	V	40.9	Very low	35	Very low	110 Å²	110	129 Å²	129	67%	0.667	72%	0.721	S	S	*	*			cis	-162.6	173	-2.5	110.6	0	0	0	0	114.2
933	R	35.9	Very low	33.9	Very low	194 Å²	194	127.3 Å²	127.3	73%	0.732	72%	0.724	S	S	*	*			trans	77.4	159	164.5	-98	164.7	179.8	-179.9	-0.8	118.4	N767	N767-R933 WeakPolarHBondContact OD1-CG 3.04Å
934	S	36.3	Very low	35.5	Very low	79 Å²	79	125.6 Å²	125.6	55%	0.552	73%	0.726	S	S	*	*			cis	-137.6	-146.9	6.9	85.9	0	0	0	0	115.5	N767 E768	N767-S934 VanDerWaalsContact ND2-CA 3.28Å; N767-S934 WeakPolarHBondContact ND2-CA 3.5Å; N767-S934 PolarHBondContact ND2-O 2.83Å; E768-S934 WeakPolarHBondContact OE1-CB 3.45Å; E768-S934 PolarHBondContact OE1-OG 2.93Å
935	A	36.8	Very low	35.3	Very low	50 Å²	50	127 Å²	127	41%	0.413	74%	0.738	S	S	.	*			trans	-162.9	-157.1	-166.8	0	0	0	0	0	117	N767 E768	N767-A935 HydrophobicContact CB-CB 3.53Å; E768-A935 HydrophobicContact CB-CB 4.42Å; E768-A935 VanDerWaalsContact CD-CA 3.47Å; E768-A935 VanDerWaalsContact CD-O 3.26Å; E768-A935 HydrophobicContact CG-CB 3.94Å; E768-A935 PolarHBondContact OE1-N 3.43Å; E768-A935 VanDerWaalsContact OE1-O 3.09Å; E768-A935 WeakPolarHBondContact OE2-CA 3.24Å
936	F	31.7	Very low	35	Very low	145 Å²	145	124.2 Å²	124.2	64%	0.636	73%	0.733	S	S	*	*			trans	175.8	158.4	150.6	-113.7	-35.3	0	0	0	120.6	E768 Q769	E768-F936 PolarHBondContact OE2-N 3.39Å; Q769-F936 VanDerWaalsContact CD-CZ 3.49Å; Q769-F936 VanDerWaalsContact NE2-CZ 3.28Å
937	T	32.9	Very low	34.9	Very low	106 Å²	106	124.1 Å²	124.1	65%	0.65	74%	0.739	S	S	*	*			trans	59.6	128.9	144.5	52.8	0	0	0	0	131.5
938	E	32.4	Very low	34.5	Very low	199 Å²	199	129.2 Å²	129.2	93%	0.93	74%	0.743	S	S	*	*				78.2	161.2	129.2	-63.9	-151.6	125.8	0	0	128.7
939	G	24.3	Very low	35.3	Very low	72 Å²	72	130 Å²	130	74%	0.742	74%	0.74	S	S	*	*			trans	-119.3	-138	-166.7	0	0	0	0	0	116.4
940	P	54.2	Low	36.2	Very low	109 Å²	109	130.8 Å²	130.8	71%	0.708	74%	0.743	S	S	*	*			cis	-148.3	-169.9	6	43.9	-22.2	0	0	0	119.2
941	K	30.9	Very low	36	Very low	187 Å²	187	129.3 Å²	129.3	81%	0.813	75%	0.748	S	S	*	*			trans	79.8	150.7	163.6	-59.5	161.2	-175.2	170.2	0	118.8
942	K	30.9	Very low	35.5	Very low	203 Å²	203	128.3 Å²	128.3	88%	0.883	75%	0.746	S	S	*	*			cis	-161.1	165.5	-13.2	-114.9	-177.1	174.3	-172.2	0	111.5
943	G	22.3	Very low	34.8	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	76%	0.755	S	S	*	*			trans	-97.1	-148.5	-179.6	0	0	0	0	0	116.1
944	P	62.7	Low	34.3	Very low	119 Å²	119	126.8 Å²	126.8	77%	0.773	75%	0.75	S	S	*	*			cis	-149	-164.4	17.1	43.9	-21.3	0	0	0	118.9
945	L	28	Very low	33.7	Very low	177 Å²	177	128.1 Å²	128.1	93%	0.927	76%	0.76	S	S	*	*			trans	76.9	140.9	165.4	-62.3	159.3	0	0	0	119.3
946	G	26.1	Very low	33.3	Very low	64 Å²	64	130.2 Å²	130.2	66%	0.66	78%	0.777	S	S	*	*			cis	174.3	169.3	-11.4	0	0	0	0	0	116.3
947	S	26.3	Very low	33.1	Very low	137 Å²	137	128.4 Å²	128.4	96%	0.958	78%	0.782	S	S	*	*			trans	102.6	163	162.4	83.2	0	0	0	0	122.8
948	K	25.6	Very low	32.8	Very low	199 Å²	199	127.7 Å²	127.7	87%	0.865	79%	0.787	S	S	*	*			trans	-169.3	179.6	-167.7	-133.1	-173.4	-177	-179.2	0	106.8
949	P	54	Low	32.5	Very low	111 Å²	111	124.3 Å²	124.3	72%	0.721	78%	0.78	S	S	*	*			cis	-122.1	-141.8	-23.9	40.9	-19.7	0	0	0	109.2
950	P	54.8	Low	32.6	Very low	125 Å²	125	124.9 Å²	124.9	81%	0.812	77%	0.773	S	S	*	*			cis	-131.6	-170.3	-13	39	-17.6	0	0	0	116.6
951	A	30.5	Very low	31.3	Very low	89 Å²	89	126 Å²	126	74%	0.736	78%	0.778	S	S	*	*			trans	-99.8	-175.1	-169.6	0	0	0	0	0	115.5
952	I	27.4	Very low	31.1	Very low	149 Å²	149	122.6 Å²	122.6	76%	0.764	77%	0.772	S	S	*	*			trans	-178.5	132.1	138.3	-99.9	158	0	0	0	115.1
953	K	25.9	Very low	30.8	Very low	194 Å²	194	118.7 Å²	118.7	84%	0.843	77%	0.766	S	S	*	*			trans	54.9	156.4	153.2	-68.7	175.2	-170.5	176.2	0	121.2
954	A	25.8	Very low	31.1	Very low	77 Å²	77	120.2 Å²	120.2	64%	0.636	77%	0.765	S	S	*	*			cis	-167.8	167.3	-20.9	0	0	0	0	0	112
955	S	25.1	Very low	29.4	Very low	107 Å²	107	119.4 Å²	119.4	75%	0.748	76%	0.762	S	S	*	*			trans	45.2	114.9	147.2	58.5	0	0	0	0	120.7
956	A	27.7	Very low	29.2	Very low	95 Å²	95	120.2 Å²	120.2	79%	0.785	76%	0.759	S	S	*	*				87.5	149.8	84.7	0	0	0	0	0	113.6
957	S	27.3	Very low	29.1	Very low	106 Å²	106	121.8 Å²	121.8	74%	0.741	76%	0.759	S	S	*	*			cis	-172	147.6	-9.8	42.6	0	0	0	0	112.6
958	A	27.5	Very low	29	Very low	91 Å²	91	123.4 Å²	123.4	75%	0.752	75%	0.751	S	S	*	*			trans	59.8	179.5	154.7	0	0	0	0	0	117
959	T	25.5	Very low	29	Very low	129 Å²	129	119.1 Å²	119.1	79%	0.791	74%	0.742	S	S	*	*			cis	-158.2	158.9	0.2	3.5	0	0	0	0	104.8
960	S	26.6	Very low	27.5	Very low	83 Å²	83	123.2 Å²	123.2	58%	0.58	75%	0.751	S	S	*	*			cis	159.1	141.4	-18.2	57.1	0	0	0	0	106.4
961	V	26.3	Very low	26.1	Very low	134 Å²	134	121 Å²	121	81%	0.812	75%	0.751	S	S	*	*			trans	55.7	170.1	168.2	-90.7	0	0	0	0	116.6
962	T	26.1	Very low	25.8	Very low	114 Å²	114	120.3 Å²	120.3	70%	0.699	75%	0.753	S	S	*	*			cis	-147.6	175.7	10.4	-18.7	0	0	0	0	111.6
963	T	25.6	Very low	27.1	Very low	121 Å²	121	118.4 Å²	118.4	74%	0.742	75%	0.75	S	S	*	*			trans	-24.2	156.5	156.7	58.7	0	0	0	0	117
964	S	27.5	Very low	27.1	Very low	103 Å²	103	118.4 Å²	118.4	72%	0.72	75%	0.75	S	S	*	*			cis	-172.3	172.2	46.7	61.4	0	0	0	0	115.6
965	S	27.2	Very low	27.3	Very low	102 Å²	102	118.8 Å²	118.8	71%	0.713	75%	0.748	S	S	*	*			trans	46.9	110.5	139.2	-60.9	0	0	0	0	124.3
966	F	25.2	Very low	27.3	Very low	195 Å²	195	119.8 Å²	119.8	86%	0.855	75%	0.75	S	S	*	*				59.9	119.2	116.3	-96.6	-100.4	0	0	0	123.6
967	C	23	Very low	27.2	Very low	97 Å²	97	121.9 Å²	121.9	66%	0.655	75%	0.753	S	S	*	*			trans	82.9	147.6	131.1	-105.2	0	0	0	0	123.4
968	Q	25.5	Very low	27.1	Very low	170 Å²	170	122.1 Å²	122.1	79%	0.794	75%	0.75	S	S	*	*			trans	61.1	138.8	149.9	-71.4	178.4	1.6	0	0	119.1
969	T	23.6	Very low	27.1	Very low	110 Å²	110	122.8 Å²	122.8	68%	0.675	75%	0.749	S	S	*	*			cis	165.2	142.5	-25.2	25.7	0	0	0	0	105.2
970	Q	24.5	Very low	27.3	Very low	196 Å²	196	122.3 Å²	122.3	92%	0.916	75%	0.751	S	S	*	*			trans	65.2	156.1	169.7	-57.9	-170.6	55	0	0	117.9
971	G	23.9	Very low	27.6	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	76%	0.758	S	S	*	*			trans	137.5	56.6	130.1	0	0	0	0	0	120.5
972	G	24.1	Very low	27.8	Very low	75 Å²	75	122.3 Å²	122.3	77%	0.773	75%	0.752	S	S	*	*			trans	83.7	-175.7	143.2	0	0	0	0	0	119
973	P	55.9	Low	28.2	Very low	109 Å²	109	124 Å²	124	71%	0.708	75%	0.752	S	S	*	*			trans	-133.1	-156	-148.4	41	-21.4	0	0	0	114.2
974	F	26.2	Very low	28.3	Very low	195 Å²	195	124.5 Å²	124.5	86%	0.855	75%	0.75	S	S	*	*			trans	76.5	152.6	-177.5	-60.2	-84	0	0	0	115.5
975	S	28.9	Very low	28.5	Very low	85 Å²	85	126.9 Å²	126.9	59%	0.594	75%	0.754	S	S	*	*			cis	-172.7	143.7	-42.6	48.9	0	0	0	0	109
976	T	24.7	Very low	28.6	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	76%	0.757	S	S	*	*			trans	34.8	130.8	149.5	56.5	0	0	0	0	120.9
977	V	26.8	Very low	28.9	Very low	138 Å²	138	122.1 Å²	122.1	84%	0.836	75%	0.75	S	S	*	*				-171.3	158.4	120	140.4	0	0	0	0	111.7
978	T	25.3	Very low	29	Very low	112 Å²	112	127.2 Å²	127.2	69%	0.687	76%	0.762	S	S	*	*			trans	-65.6	173.8	-160.4	55.1	0	0	0	0	120
979	S	27.8	Very low	29	Very low	105 Å²	105	125 Å²	125	73%	0.734	76%	0.76	S	S	*	*			trans	69.4	143.4	144.6	45.2	0	0	0	0	119.2
980	S	28.2	Very low	30.2	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	76%	0.762	S	S	*	*			cis	-155.3	-176.8	-0.2	38.6	0	0	0	0	111.6
981	A	33.5	Very low	30.3	Very low	88 Å²	88	123.4 Å²	123.4	73%	0.727	76%	0.758	S	S	*	*			trans	-43.3	159.9	-180	0	0	0	0	0	115.7
982	D	30.3	Very low	30.6	Very low	129 Å²	129	124.2 Å²	124.2	69%	0.69	76%	0.757	S	S	*	*			cis	-158.5	162.1	33.6	-153.6	11.8	0	0	0	115.2
983	Q	34.2	Very low	30.8	Very low	151 Å²	151	130.2 Å²	130.2	71%	0.706	76%	0.762	S	S	*	*			trans	43.3	128	161.8	-69.2	172	69.3	0	0	119.5
984	N	28.6	Very low	29.4	Very low	130 Å²	130	131.7 Å²	131.7	70%	0.695	77%	0.769	S	S	*	*			cis	-153.7	-144.4	14.7	-142.8	-60.6	0	0	0	112.2
985	L	31	Very low	29.6	Very low	153 Å²	153	133.6 Å²	133.6	80%	0.801	77%	0.771	S	S	*	*			trans	-134.2	155.9	-158.5	-63.8	169.7	0	0	0	113.3
986	S	30.1	Very low	29.5	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	78%	0.776	S	S	*	*			cis	-165.4	162.7	-18.9	58.2	0	0	0	0	110.7
987	A	30.6	Very low	30	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	78%	0.777	S	S	*	*			trans	-152.8	-176.4	-179.1	0	0	0	0	0	113.1
988	F	26.2	Very low	30	Very low	203 Å²	203	135.5 Å²	135.5	89%	0.89	78%	0.781	S	S	*	*			trans	89.8	124.9	164.8	-77	-82.7	0	0	0	122
989	T	25	Very low	30.4	Very low	123 Å²	123	141.2 Å²	141.2	76%	0.755	79%	0.79	S	S	*	*			trans	-87.6	-171.1	145.1	41.7	0	0	0	0	109.8
990	P	48.7	Very low	30.5	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	80%	0.796	S	S	*	*				-123.3	173	-53.4	36.6	-23.3	0	0	0	111.7
991	I	26.1	Very low	30.5	Very low	160 Å²	160	145.4 Å²	145.4	82%	0.821	79%	0.789	S	S	*	*			trans	-136.2	137.3	166.3	-66.8	-175.3	0	0	0	111.7
992	A	31	Very low	30.3	Very low	95 Å²	95	147.4 Å²	147.4	79%	0.785	79%	0.792	S	S	*	*			trans	-108.3	162.2	169.8	0	0	0	0	0	111.4
993	K	27	Very low	30.9	Very low	201 Å²	201	146.6 Å²	146.6	87%	0.874	79%	0.794	S	S	*	*			trans	-140	158.4	171.1	-79.5	-165.6	175.5	-179.1	0	113.3
994	T	27.3	Very low	30.5	Very low	141 Å²	141	150.5 Å²	150.5	87%	0.865	80%	0.802	S	S	*	*			trans	-110.7	179.9	-170.5	42.1	0	0	0	0	113.1
995	R	31.1	Very low	30.4	Very low	235 Å²	235	151.9 Å²	151.9	89%	0.887	81%	0.805	S	S	*	*			trans	-25.1	153.4	162.1	-77.1	179.2	174.1	-178.5	-2.6	116.2
996	S	26.4	Very low	30.5	Very low	101 Å²	101	148.1 Å²	148.1	71%	0.706	80%	0.803	S	S	*	*			cis	-175.8	156.1	-0.3	44.6	0	0	0	0	113.3
997	S	34.2	Very low	30.5	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	80%	0.803	S	S	*	*			trans	52.9	123.8	145.3	-163.9	0	0	0	0	121.8
998	L	27.8	Very low	30.6	Very low	175 Å²	175	152.9 Å²	152.9	92%	0.916	81%	0.81	S	S	*	*			trans	-156.8	156.6	146.5	-111.6	170.8	0	0	0	110.9
999	R	32.7	Very low	30.8	Very low	233 Å²	233	154.8 Å²	154.8	88%	0.879	81%	0.812	S	S	*	*			trans	-104.9	131.7	-179.8	-73.2	177.3	172.2	168.7	-3.9	112
1000	K	31.6	Very low	31.2	Very low	200 Å²	200	154 Å²	154	87%	0.87	81%	0.807	S	S	*	*			trans	-174.5	124.4	131.9	-107.8	173.7	-179.9	-179	0	114.8
1001	T	27.9	Very low	30.6	Very low	111 Å²	111	154.6 Å²	154.6	68%	0.681	81%	0.811	S	S	*	*			trans	14.9	121	143.7	54.5	0	0	0	0	122.1
1002	T	27.7	Very low	31.4	Very low	129 Å²	129	154.4 Å²	154.4	79%	0.791	81%	0.811	S	S	*	*			trans	65.7	162.1	135	58	0	0	0	0	120.9
1003	P	43.7	Very low	32.3	Very low	113 Å²	113	154.5 Å²	154.5	73%	0.734	81%	0.806	S	S	*	*			cis	-136.9	102.8	-44.9	35.8	-17.9	0	0	0	112.5
1004	R	25.9	Very low	34.3	Very low	232 Å²	232	148.8 Å²	148.8	88%	0.875	80%	0.797	S	S	*	*			trans	-164.8	154	170.7	-110.1	174.1	-173.2	-176.9	0.1	107.8
1005	Q	26.9	Very low	36.8	Very low	159 Å²	159	143 Å²	143	74%	0.743	76%	0.761	S	S	*	*			cis	-148.3	146.9	0.4	-162	158	-14.9	0	0	107.2	S1007	Q1005-S1007 PolarHBondContact O-N 3.09Å
1006	G	33.3	Very low	39.4	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	74%	0.736	S	S	*	*			trans	-68.6	117.2	173.4	0	0	0	0	0	109.8
1007	S	30.5	Very low	42.3	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	72%	0.719	S	S	*	*			trans	-75.1	126	163.3	45.8	0	0	0	0	108.5	Q1005 R1009	Q1005-S1007 PolarHBondContact O-N 3.09Å; S1007-R1009 PolarHBondContact O-N 2.92Å
1008	E	31.2	Very low	44.9	Very low	186 Å²	186	134.2 Å²	134.2	87%	0.869	71%	0.706	S	S	*	*			trans	-63.7	107.1	179.1	-67.4	172.6	109.6	0	0	109.7	T1010	E1008-T1010 PolarHBondContact O-N 3.48Å
1009	R	31.2	Very low	47.8	Very low	244 Å²	244	128.5 Å²	128.5	92%	0.921	68%	0.675	S	S	*	*			trans	-75.1	100.8	153.9	-81.5	-172.6	172.4	174.2	-1.5	107	S1007	S1007-R1009 PolarHBondContact O-N 2.92Å
1010	T	33.2	Very low	50.6	Low	107 Å²	107	117.4 Å²	117.4	66%	0.656	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-46.1	145.8	159	40.7	0	0	0	0	109.8	E1008 N1012	E1008-T1010 PolarHBondContact O-N 3.48Å; T1010-N1012 PolarHBondContact O-N 3Å; T1010-N1012 VanDerWaalsContact O-N 3.09Å
1011	P	37.1	Very low	53.5	Low	124 Å²	124	109.7 Å²	109.7	81%	0.805	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-61.8	119	175.5	26.3	-33	0	0	0	108.5	S1013	P1011-S1013 PolarHBondContact O-N 2.96Å
1012	N	41.1	Very low	56.5	Low	157 Å²	157	110.3 Å²	110.3	84%	0.84	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-54.5	126.3	168.4	-76.9	-18.6	0	0	0	107.7	T1010 A1014	T1010-N1012 PolarHBondContact O-N 3Å; T1010-N1012 VanDerWaalsContact O-N 3.09Å; N1012-A1014 PolarHBondContact O-N 3.37Å
1013	S	51.7	Low	59.6	Low	96 Å²	96	104.3 Å²	104.3	67%	0.671	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-57.4	127.5	171.7	41.9	0	0	0	0	109	P1011 V1015	P1011-S1013 PolarHBondContact O-N 2.96Å; S1013-V1015 PolarHBondContact O-N 2.81Å; S1013-V1015 VanDerWaalsContact O-N 3.1Å
1014	A	67.1	Low	62	Low	82 Å²	82	99 Å²	99	68%	0.678	53%	0.526	S	S	*	.			trans	-62.6	115.7	172.9	0	0	0	0	0	107.9	N1012 T1016	N1012-A1014 PolarHBondContact O-N 3.37Å; A1014-T1016 PolarHBondContact O-N 3.07Å; A1014-T1016 VanDerWaalsContact O-N 3.12Å
1015	V	79.9	Confident	65.2	Low	18 Å²	18	92.6 Å²	92.6	11%	0.109	51%	0.506	C	S	.	.			trans	-59.1	118.9	179	174.3	0	0	0	0	108.2	S1013 M1019 V1020 Y1054 Y1058	S1013-V1015 PolarHBondContact O-N 2.81Å; S1013-V1015 VanDerWaalsContact O-N 3.1Å; V1015-M1019 HydrophobicContact CB-SD 4.47Å; V1015-M1019 HydrophobicContact CG1-CB 3.98Å; V1015-M1019 HydrophobicContact CG1-CE 4.49Å; V1015-M1019 HydrophobicContact CG1-SD 4.23Å; V1015-M1019 HydrophobicContact CG2-CE 4.49Å; V1015-V1020 HydrophobicContact CG1-CG2 4.1Å; V1015-Y1054 HydrophobicContact CG1-CD1 4.03Å; V1015-Y1054 HydrophobicContact CG1-CG 4.35Å; V1015-Y1054 HydrophobicContact CG2-CD1 4.27Å; V1015-Y1058 WeakPolarHBondContact O-CD2 3.33Å
1016	T	85.8	Confident	68.2	Low	60 Å²	60	89.4 Å²	89.4	37%	0.368	49%	0.494	S	S	.	.			trans	-82.4	167.7	-175.5	84.9	0	0	0	0	111.1	A1014 E1018 M1019 V1020	A1014-T1016 PolarHBondContact O-N 3.07Å; A1014-T1016 VanDerWaalsContact O-N 3.12Å; T1016-E1018 WeakPolarHBondContact CB-OE2 3.31Å; T1016-E1018 PolarHBondContact O-N 3.22Å; T1016-E1018 PolarHBondContact OG1-N 3.36Å; T1016-E1018 PolarHBondContact OG1-OE2 2.76Å; T1016-M1019 HydrophobicContact CG2-SD 4.41Å; T1016-M1019 PolarHBondContact O-N 2.98Å; T1016-M1019 PolarHBondContact OG1-N 3.1Å; T1016-V1020 PolarHBondContact O-N 3.45Å
1017	R	87.4	Confident	71	Confident	95 Å²	95	85.9 Å²	85.9	36%	0.358	46%	0.457	S	S	.	.	H	α-helix	trans	-57.4	-39.9	175.3	-176.4	-163	-160.8	-162.7	9.9	111.2	V1020 L1021 Y1058 V1115 Q1116	R1017-V1020 PolarHBondContact O-N 2.95Å; R1017-L1021 HydrophobicContact CG-CD1 4.39Å; R1017-L1021 WeakPolarHBondContact O-CG 3.3Å; R1017-L1021 PolarHBondContact O-N 3.2Å; R1017-Y1058 HydrophobicContact CB-CE2 4.05Å; R1017-V1115 HydrophobicContact CG-CG1 3.49Å; R1017-V1115 VanDerWaalsContact CG-CG1 3.49Å; R1017-V1115 VanDerWaalsContact CZ-O 3.3Å; R1017-V1115 PolarHBondContact NE-O 2.83Å; R1017-V1115 PolarHBondContact NH2-O 3.39Å; R1017-Q1116 PolarHBondContact NH2-O 2.96Å
1018	E	88.8	Confident	73.9	Confident	112 Å²	112	83.4 Å²	83.4	52%	0.523	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-42.8	-177.2	-60	63.7	-136.4	0	0	110.4	T1016 V1020 L1021 E1022	T1016-E1018 WeakPolarHBondContact CB-OE2 3.31Å; T1016-E1018 PolarHBondContact O-N 3.22Å; T1016-E1018 PolarHBondContact OG1-N 3.36Å; T1016-E1018 PolarHBondContact OG1-OE2 2.76Å; E1018-V1020 VanDerWaalsContact C-N 3.27Å; E1018-V1020 PolarHBondContact O-N 2.73Å; E1018-L1021 PolarHBondContact O-N 3.44Å; E1018-L1021 VanDerWaalsContact O-N 3.16Å; E1018-E1022 WeakPolarHBondContact O-CB 3.24Å; E1018-E1022 PolarHBondContact O-N 3.4Å
1019	M	89.3	Confident	76.6	Confident	54 Å²	54	76.2 Å²	76.2	27%	0.266	40%	0.404	S	S	.	.	H	α-helix	trans	-60.8	-33.6	176.2	-62.7	177.6	68.5	0	0	113	V1015 T1016 G1023 Y1054	V1015-M1019 HydrophobicContact CB-SD 4.47Å; V1015-M1019 HydrophobicContact CG1-CB 3.98Å; V1015-M1019 HydrophobicContact CG1-CE 4.49Å; V1015-M1019 HydrophobicContact CG1-SD 4.23Å; V1015-M1019 HydrophobicContact CG2-CE 4.49Å; T1016-M1019 HydrophobicContact CG2-SD 4.41Å; T1016-M1019 PolarHBondContact O-N 2.98Å; T1016-M1019 PolarHBondContact OG1-N 3.1Å; M1019-G1023 PolarHBondContact O-N 3.04Å; M1019-Y1054 HydrophobicContact CE-CD1 4.09Å; M1019-Y1054 HydrophobicContact CE-CE1 3.69Å
1020	V	91.6	Very high	79.2	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-72.5	-40.7	176.3	-179.9	0	0	0	0	111.1	V1015 T1016 R1017 E1018 G1023 A1024 L1051 Y1058 F1071 I1111 V1115	V1015-V1020 HydrophobicContact CG1-CG2 4.1Å; T1016-V1020 PolarHBondContact O-N 3.45Å; R1017-V1020 PolarHBondContact O-N 2.95Å; E1018-V1020 VanDerWaalsContact C-N 3.27Å; E1018-V1020 PolarHBondContact O-N 2.73Å; V1020-G1023 PolarHBondContact O-N 2.81Å; V1020-A1024 PolarHBondContact O-N 2.99Å; V1020-L1051 HydrophobicContact CG1-CD1 4.32Å; V1020-L1051 WeakPolarHBondContact O-CD1 3.27Å; V1020-Y1058 HydrophobicContact CG2-CD1 4.24Å; V1020-Y1058 HydrophobicContact CG2-CD2 4.22Å; V1020-Y1058 HydrophobicContact CG2-CG 3.79Å; V1020-F1071 HydrophobicContact CG1-CZ 4.27Å; V1020-I1111 HydrophobicContact CG1-CG2 4.16Å; V1020-V1115 HydrophobicContact CG1-CG2 3.95Å
1021	L	92.2	Very high	81.7	Confident	38 Å²	38	60.3 Å²	60.3	20%	0.199	33%	0.334	C	S	.	.	H	α-helix	trans	-70.1	-39.3	177	-65.2	174.6	0	0	0	111.9	R1017 E1018 A1024 E1025 V1115 Q1116	R1017-L1021 HydrophobicContact CG-CD1 4.39Å; R1017-L1021 WeakPolarHBondContact O-CG 3.3Å; R1017-L1021 PolarHBondContact O-N 3.2Å; E1018-L1021 PolarHBondContact O-N 3.44Å; E1018-L1021 VanDerWaalsContact O-N 3.16Å; L1021-A1024 WeakPolarHBondContact O-CB 3.17Å; L1021-A1024 PolarHBondContact O-N 2.65Å; L1021-E1025 PolarHBondContact O-N 2.78Å; L1021-V1115 HydrophobicContact CD1-CG1 4.26Å; L1021-V1115 HydrophobicContact CD2-CB 4.04Å; L1021-V1115 HydrophobicContact CD2-CG1 3.86Å; L1021-V1115 HydrophobicContact CG-CG1 3.83Å; L1021-Q1116 HydrophobicContact CD1-CG 4.3Å; L1021-Q1116 HydrophobicContact CD2-CG 4.02Å
1022	E	91.9	Very high	83.8	Confident	125 Å²	125	57.4 Å²	57.4	58%	0.584	32%	0.317	S	S	*	.	H	α-helix	trans	-62.6	-45	172.4	-175.7	176.6	-159.2	0	0	111	E1018 A1024 E1025 L1026	E1018-E1022 WeakPolarHBondContact O-CB 3.24Å; E1018-E1022 PolarHBondContact O-N 3.4Å; E1022-A1024 PolarHBondContact O-N 3.28Å; E1022-E1025 PolarHBondContact O-N 3.41Å; E1022-L1026 HydrophobicContact CG-CD1 4.14Å; E1022-L1026 HydrophobicContact CG-CG 4.46Å; E1022-L1026 WeakPolarHBondContact O-CB 3.5Å; E1022-L1026 VanDerWaalsContact O-CG 3.29Å; E1022-L1026 WeakPolarHBondContact O-CG 3.33Å; E1022-L1026 PolarHBondContact O-N 3.46Å
1023	G	92.5	Very high	85.6	Confident	3 Å²	3	56.4 Å²	56.4	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-33.9	172.4	0	0	0	0	0	113.5	M1019 V1020 L1027	M1019-G1023 PolarHBondContact O-N 3.04Å; V1020-G1023 PolarHBondContact O-N 2.81Å; G1023-L1027 PolarHBondContact O-N 2.95Å; G1023-L1027 VanDerWaalsContact O-N 3.15Å
1024	A	93.1	Very high	86.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.7	-43.5	176.1	0	0	0	0	0	111.8	V1020 L1021 E1022 L1027 R1028 L1051 V1108	V1020-A1024 PolarHBondContact O-N 2.99Å; L1021-A1024 WeakPolarHBondContact O-CB 3.17Å; L1021-A1024 PolarHBondContact O-N 2.65Å; E1022-A1024 PolarHBondContact O-N 3.28Å; A1024-L1027 PolarHBondContact O-N 3.4Å; A1024-R1028 WeakPolarHBondContact O-CG 3.37Å; A1024-R1028 PolarHBondContact O-N 2.95Å; A1024-L1051 HydrophobicContact CB-CD1 4.36Å; A1024-L1051 HydrophobicContact CB-CD2 4.41Å; A1024-V1108 HydrophobicContact CB-CG1 3.73Å; A1024-V1108 WeakPolarHBondContact O-CG1 3.42Å
1025	E	92.6	Very high	86.2	Confident	98 Å²	98	54 Å²	54	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-36.6	174.4	-66.9	-53.3	150.4	0	0	112.9	L1021 E1022 L1027 R1028 A1029	L1021-E1025 PolarHBondContact O-N 2.78Å; E1022-E1025 PolarHBondContact O-N 3.41Å; E1025-L1027 VanDerWaalsContact C-N 3.31Å; E1025-L1027 PolarHBondContact O-N 3.42Å; E1025-R1028 PolarHBondContact O-N 2.97Å; E1025-R1028 IonicContact OE1-CZ 2.69Å; E1025-R1028 IonicContact OE1-NH1 2.66Å; E1025-R1028 PolarHBondContact OE1-NH1 3.45Å; E1025-R1028 VanDerWaalsContact OE2-CD 3.26Å; E1025-R1028 WeakPolarHBondContact OE2-CD 3.46Å; E1025-R1028 IonicContact OE2-NH1 2.81Å; E1025-A1029 VanDerWaalsContact O-CB 3.31Å; E1025-A1029 WeakPolarHBondContact O-CB 3.45Å; E1025-A1029 PolarHBondContact O-N 3.05Å
1026	L	91.2	Very high	85.1	Confident	93 Å²	93	60.5 Å²	60.5	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-39.3	174.1	-74.7	171.2	0	0	0	111.9	E1022 A1030	E1022-L1026 HydrophobicContact CG-CD1 4.14Å; E1022-L1026 HydrophobicContact CG-CG 4.46Å; E1022-L1026 WeakPolarHBondContact O-CB 3.5Å; E1022-L1026 VanDerWaalsContact O-CG 3.29Å; E1022-L1026 WeakPolarHBondContact O-CG 3.33Å; E1022-L1026 PolarHBondContact O-N 3.46Å; L1026-A1030 WeakPolarHBondContact O-CB 3.31Å; L1026-A1030 PolarHBondContact O-N 3.16Å
1027	L	92.1	Very high	83.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.1	-41.9	173.4	178.6	56	0	0	0	112.2	G1023 A1024 E1025 A1029 A1030 I1031 V1044 A1047 L1051 L1078 L1104 V1108	G1023-L1027 PolarHBondContact O-N 2.95Å; G1023-L1027 VanDerWaalsContact O-N 3.15Å; A1024-L1027 PolarHBondContact O-N 3.4Å; E1025-L1027 VanDerWaalsContact C-N 3.31Å; E1025-L1027 PolarHBondContact O-N 3.42Å; L1027-A1029 PolarHBondContact O-N 3.38Å; L1027-A1030 PolarHBondContact O-N 3.05Å; L1027-I1031 HydrophobicContact CD1-CD1 4.03Å; L1027-I1031 HydrophobicContact CD1-CG1 4.18Å; L1027-I1031 HydrophobicContact CG-CD1 4.03Å; L1027-I1031 VanDerWaalsContact O-CG1 3.32Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.41Å; L1027-I1031 PolarHBondContact O-N 2.96Å; L1027-V1044 HydrophobicContact CD1-CG1 3.78Å; L1027-V1044 WeakPolarHBondContact CD1-O 3.49Å; L1027-A1047 HydrophobicContact CB-CB 4.19Å; L1027-A1047 HydrophobicContact CD1-CB 4.05Å; L1027-L1051 HydrophobicContact CB-CD2 4.48Å; L1027-L1051 HydrophobicContact CD2-CD2 3.96Å; L1027-L1078 HydrophobicContact CD2-CD1 3.86Å; L1027-L1104 HydrophobicContact CD1-CD2 4.35Å; L1027-L1104 HydrophobicContact CD2-CD1 4.23Å; L1027-L1104 HydrophobicContact CD2-CG 4.39Å; L1027-V1108 HydrophobicContact CD2-CG2 3.32Å; L1027-V1108 HydrophobicContact CG-CG2 3.99Å
1028	R	90.8	Very high	81.9	Confident	59 Å²	59	67.9 Å²	67.9	22%	0.223	35%	0.35	C	S	.	.	H	α-helix	trans	-55.6	-50.6	172.9	-74.8	168.9	179.5	175.4	4.7	111.2	A1024 E1025 A1030 I1031 S1032 L1105 V1108 S1112	A1024-R1028 WeakPolarHBondContact O-CG 3.37Å; A1024-R1028 PolarHBondContact O-N 2.95Å; E1025-R1028 PolarHBondContact O-N 2.97Å; E1025-R1028 IonicContact OE1-CZ 2.69Å; E1025-R1028 IonicContact OE1-NH1 2.66Å; E1025-R1028 PolarHBondContact OE1-NH1 3.45Å; E1025-R1028 VanDerWaalsContact OE2-CD 3.26Å; E1025-R1028 WeakPolarHBondContact OE2-CD 3.46Å; E1025-R1028 IonicContact OE2-NH1 2.81Å; R1028-A1030 VanDerWaalsContact C-N 3.32Å; R1028-A1030 PolarHBondContact O-N 3.41Å; R1028-I1031 WeakPolarHBondContact O-CB 3.4Å; R1028-I1031 PolarHBondContact O-N 3.38Å; R1028-I1031 VanDerWaalsContact O-N 3.14Å; R1028-S1032 PolarHBondContact O-N 2.9Å; R1028-S1032 PolarHBondContact O-OG 3.28Å; R1028-L1105 HydrophobicContact CG-CD2 4.42Å; R1028-V1108 HydrophobicContact CG-CG1 4.01Å; R1028-S1112 PolarHBondContact NH2-OG 3.08Å
1029	A	87.4	Confident	80.5	Confident	36 Å²	36	64.7 Å²	64.7	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-31.6	179.6	0	0	0	0	0	112.8	E1025 L1027 R1033	E1025-A1029 VanDerWaalsContact O-CB 3.31Å; E1025-A1029 WeakPolarHBondContact O-CB 3.45Å; E1025-A1029 PolarHBondContact O-N 3.05Å; L1027-A1029 PolarHBondContact O-N 3.38Å; A1029-R1033 WeakPolarHBondContact O-CG 3.19Å; A1029-R1033 PolarHBondContact O-N 3.46Å; A1029-R1033 PolarHBondContact O-NH1 2.86Å
1030	A	86.6	Confident	79.3	Confident	8 Å²	8	66.7 Å²	66.7	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-40.4	171.7	0	0	0	0	0	112.3	L1026 L1027 R1028 M1034 V1044 A1047	L1026-A1030 WeakPolarHBondContact O-CB 3.31Å; L1026-A1030 PolarHBondContact O-N 3.16Å; L1027-A1030 PolarHBondContact O-N 3.05Å; R1028-A1030 VanDerWaalsContact C-N 3.32Å; R1028-A1030 PolarHBondContact O-N 3.41Å; A1030-M1034 WeakPolarHBondContact O-CB 3.49Å; A1030-M1034 PolarHBondContact O-N 2.77Å; A1030-V1044 HydrophobicContact CB-CG2 4.22Å; A1030-A1047 HydrophobicContact CB-CB 4.12Å
1031	I	86.4	Confident	78.5	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-44.9	175.1	-65.2	161.7	0	0	0	110.6	L1027 R1028 M1034 S1035 V1044 F1101 L1104 L1105	L1027-I1031 HydrophobicContact CD1-CD1 4.03Å; L1027-I1031 HydrophobicContact CD1-CG1 4.18Å; L1027-I1031 HydrophobicContact CG-CD1 4.03Å; L1027-I1031 VanDerWaalsContact O-CG1 3.32Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.41Å; L1027-I1031 PolarHBondContact O-N 2.96Å; R1028-I1031 WeakPolarHBondContact O-CB 3.4Å; R1028-I1031 PolarHBondContact O-N 3.38Å; R1028-I1031 VanDerWaalsContact O-N 3.14Å; I1031-M1034 WeakPolarHBondContact O-CB 3.26Å; I1031-M1034 PolarHBondContact O-N 2.95Å; I1031-S1035 PolarHBondContact O-N 2.88Å; I1031-S1035 VanDerWaalsContact O-N 3.11Å; I1031-V1044 HydrophobicContact CG1-CG1 3.91Å; I1031-V1044 HydrophobicContact CG1-CG2 4.4Å; I1031-F1101 HydrophobicContact CG1-CD1 4.39Å; I1031-F1101 HydrophobicContact CG2-CB 3.69Å; I1031-F1101 HydrophobicContact CG2-CD1 4.32Å; I1031-F1101 HydrophobicContact CG2-CD2 3.95Å; I1031-F1101 HydrophobicContact CG2-CG 3.73Å; I1031-L1104 HydrophobicContact CD1-CB 4.46Å; I1031-L1104 HydrophobicContact CD1-CD2 3.7Å; I1031-L1104 HydrophobicContact CD1-CG 3.91Å; I1031-L1104 HydrophobicContact CG1-CD2 4.18Å; I1031-L1105 HydrophobicContact CB-CD2 4.44Å; I1031-L1105 HydrophobicContact CD1-CD2 3.76Å; I1031-L1105 HydrophobicContact CD1-CG 4.1Å; I1031-L1105 HydrophobicContact CG2-CD1 4.25Å; I1031-L1105 HydrophobicContact CG2-CD2 4.17Å; I1031-L1105 HydrophobicContact CG2-CG 4.28Å
1032	S	80.7	Confident	77.9	Confident	64 Å²	64	69.9 Å²	69.9	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-59.3	-49.7	176.9	-63.4	0	0	0	0	112.4	R1028 M1034 S1035 E1036	R1028-S1032 PolarHBondContact O-N 2.9Å; R1028-S1032 PolarHBondContact O-OG 3.28Å; S1032-M1034 PolarHBondContact O-N 3.3Å; S1032-S1035 WeakPolarHBondContact O-CB 3.42Å; S1032-S1035 PolarHBondContact O-N 3Å; S1032-S1035 PolarHBondContact O-OG 2.68Å; S1032-E1036 PolarHBondContact O-N 3.18Å
1033	R	78.6	Confident	77.3	Confident	136 Å²	136	66 Å²	66	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-34.2	176.6	-70.8	-176.7	-60.7	-96	1.7	112.6	A1029 S1035 E1036 Q1037	A1029-R1033 WeakPolarHBondContact O-CG 3.19Å; A1029-R1033 PolarHBondContact O-N 3.46Å; A1029-R1033 PolarHBondContact O-NH1 2.86Å; R1033-S1035 VanDerWaalsContact C-N 3.31Å; R1033-S1035 PolarHBondContact O-N 3.22Å; R1033-E1036 PolarHBondContact O-N 3.33Å; R1033-Q1037 PolarHBondContact O-N 3.35Å
1034	M	70	Confident	77	Confident	36 Å²	36	65.8 Å²	65.8	18%	0.177	38%	0.38	C	S	.	.	H	α-helix	trans	-70.4	-20.6	173.7	-94.8	-124.4	65.1	0	0	114.6	A1030 I1031 S1032 E1036 G1039 H1041 V1044 F1101	A1030-M1034 WeakPolarHBondContact O-CB 3.49Å; A1030-M1034 PolarHBondContact O-N 2.77Å; I1031-M1034 WeakPolarHBondContact O-CB 3.26Å; I1031-M1034 PolarHBondContact O-N 2.95Å; S1032-M1034 PolarHBondContact O-N 3.3Å; M1034-E1036 VanDerWaalsContact C-N 3.31Å; M1034-G1039 WeakPolarHBondContact CE-O 3.47Å; M1034-H1041 HydrophobicContact SD-CB 4.39Å; M1034-H1041 PolarHBondContact SD-ND1 3.16Å; M1034-V1044 HydrophobicContact CB-CG2 4.26Å; M1034-V1044 HydrophobicContact CG-CG2 3.75Å; M1034-V1044 HydrophobicContact SD-CG2 4.04Å; M1034-F1101 HydrophobicContact SD-CZ 4.47Å
1035	S	61.7	Low	76.7	Confident	92 Å²	92	66.9 Å²	66.9	64%	0.643	39%	0.386	S	S	*	.	H	α-helix	trans	-79.4	-15.3	172	72.3	0	0	0	0	113.4	I1031 S1032 R1033	I1031-S1035 PolarHBondContact O-N 2.88Å; I1031-S1035 VanDerWaalsContact O-N 3.11Å; S1032-S1035 WeakPolarHBondContact O-CB 3.42Å; S1032-S1035 PolarHBondContact O-N 3Å; S1032-S1035 PolarHBondContact O-OG 2.68Å; R1033-S1035 VanDerWaalsContact C-N 3.31Å; R1033-S1035 PolarHBondContact O-N 3.22Å
1036	E	56.3	Low	76.5	Confident	153 Å²	153	68 Å²	68	72%	0.715	39%	0.391	S	S	*	.	H	α-helix	trans	-103.1	-22.9	-177.5	-64.1	173.3	163.8	0	0	112.9	S1032 R1033 M1034	S1032-E1036 PolarHBondContact O-N 3.18Å; R1033-E1036 PolarHBondContact O-N 3.33Å; M1034-E1036 VanDerWaalsContact C-N 3.31Å
1037	Q	54.3	Low	76.4	Confident	147 Å²	147	64.3 Å²	64.3	69%	0.687	37%	0.374	S	S	*	.	S	Bend	trans	-137.2	127.8	-175.7	-69.7	177.8	-15.5	0	0	112.6	R1033 G1039	R1033-Q1037 PolarHBondContact O-N 3.35Å; Q1037-G1039 PolarHBondContact O-N 3.47Å
1038	T	52.8	Low	76.4	Confident	163 Å²	163	64.3 Å²	64.3	100%	1	37%	0.374	S	S	*	.			trans	-72.9	66.9	-177.7	-40.2	0	0	0	0	112.5
1039	G	58.4	Low	76.4	Confident	46 Å²	46	66.4 Å²	66.4	47%	0.474	39%	0.385	S	S	.	.			trans	-109.9	178	-179.3	0	0	0	0	0	114.4	M1034 Q1037	M1034-G1039 WeakPolarHBondContact CE-O 3.47Å; Q1037-G1039 PolarHBondContact O-N 3.47Å
1040	S	65.4	Low	76.5	Confident	95 Å²	95	67.9 Å²	67.9	66%	0.664	39%	0.388	S	S	*	.			trans	-73	140	176.7	174.1	0	0	0	0	112.4	S1042	S1040-S1042 PolarHBondContact O-N 3.12Å; S1040-S1042 PolarHBondContact OG-N 3.27Å
1041	H	73.5	Confident	76.8	Confident	35 Å²	35	67.5 Å²	67.5	16%	0.162	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-3.2	176.5	-57.2	-50.6	0	0	0	115.3	M1034 G1043 V1044 L1045 L1085	M1034-H1041 HydrophobicContact SD-CB 4.39Å; M1034-H1041 PolarHBondContact SD-ND1 3.16Å; H1041-G1043 VanDerWaalsContact C-N 3.29Å; H1041-G1043 PolarHBondContact O-N 3.34Å; H1041-V1044 PolarHBondContact O-N 3.1Å; H1041-L1045 HydrophobicContact CB-CD1 4.43Å; H1041-L1045 PolarHBondContact O-N 3.2Å; H1041-L1085 HydrophobicContact CB-CD1 4.43Å; H1041-L1085 HydrophobicContact CB-CG 4.45Å
1042	S	79.6	Confident	77.1	Confident	71 Å²	71	67.4 Å²	67.4	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-49.1	-45	-178.7	-164	0	0	0	0	113.5	S1040 V1044 L1045 E1046	S1040-S1042 PolarHBondContact O-N 3.12Å; S1040-S1042 PolarHBondContact OG-N 3.27Å; S1042-V1044 PolarHBondContact O-N 3.25Å; S1042-L1045 PolarHBondContact O-N 3Å; S1042-E1046 WeakPolarHBondContact O-CB 3.19Å; S1042-E1046 PolarHBondContact O-N 3.24Å
1043	G	80.4	Confident	77.7	Confident	42 Å²	42	71.2 Å²	71.2	43%	0.433	39%	0.393	S	S	.	.	H	α-helix	trans	-68.2	-31.2	-179.1	0	0	0	0	0	114.3	H1041 A1047	H1041-G1043 VanDerWaalsContact C-N 3.29Å; H1041-G1043 PolarHBondContact O-N 3.34Å; G1043-A1047 WeakPolarHBondContact O-CB 3.34Å; G1043-A1047 PolarHBondContact O-N 3.16Å; G1043-A1047 VanDerWaalsContact O-N 3.08Å
1044	V	85.9	Confident	78.3	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-73.6	-42.7	174.5	179.1	0	0	0	0	110.1	L1027 A1030 I1031 M1034 H1041 S1042 E1046 G1048 L1085 F1101 L1104	L1027-V1044 HydrophobicContact CD1-CG1 3.78Å; L1027-V1044 WeakPolarHBondContact CD1-O 3.49Å; A1030-V1044 HydrophobicContact CB-CG2 4.22Å; I1031-V1044 HydrophobicContact CG1-CG1 3.91Å; I1031-V1044 HydrophobicContact CG1-CG2 4.4Å; M1034-V1044 HydrophobicContact CB-CG2 4.26Å; M1034-V1044 HydrophobicContact CG-CG2 3.75Å; M1034-V1044 HydrophobicContact SD-CG2 4.04Å; H1041-V1044 PolarHBondContact O-N 3.1Å; S1042-V1044 PolarHBondContact O-N 3.25Å; V1044-E1046 VanDerWaalsContact C-N 3.34Å; V1044-E1046 PolarHBondContact O-N 3.2Å; V1044-G1048 PolarHBondContact O-N 3.09Å; V1044-L1085 HydrophobicContact CB-CD2 4.31Å; V1044-L1085 HydrophobicContact CG1-CD2 3.75Å; V1044-F1101 HydrophobicContact CG1-CE1 4.29Å; V1044-L1104 HydrophobicContact CG1-CD2 3.67Å
1045	L	87.2	Confident	79.4	Confident	23 Å²	23	66.4 Å²	66.4	12%	0.12	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-37.4	176.2	-70.8	171	0	0	0	112.3	H1041 S1042 K1049 L1082 L1085 Q1086	H1041-L1045 HydrophobicContact CB-CD1 4.43Å; H1041-L1045 PolarHBondContact O-N 3.2Å; S1042-L1045 PolarHBondContact O-N 3Å; L1045-K1049 WeakPolarHBondContact O-CB 3.13Å; L1045-K1049 VanDerWaalsContact O-CD 3.3Å; L1045-K1049 WeakPolarHBondContact O-CD 3.29Å; L1045-K1049 WeakPolarHBondContact O-CG 3.48Å; L1045-K1049 PolarHBondContact O-N 2.87Å; L1045-L1082 HydrophobicContact CD2-CD2 4.23Å; L1045-L1082 WeakPolarHBondContact CD2-O 3.45Å; L1045-L1085 HydrophobicContact CD2-CB 4.11Å; L1045-L1085 HydrophobicContact CD2-CD2 3.9Å; L1045-L1085 HydrophobicContact CD2-CG 4.02Å; L1045-L1085 HydrophobicContact CG-CD2 4.17Å; L1045-L1085 HydrophobicContact CG-CG 4.4Å; L1045-Q1086 HydrophobicContact CD1-CB 4.36Å; L1045-Q1086 HydrophobicContact CD1-CG 4.37Å; L1045-Q1086 HydrophobicContact CD2-CB 4.09Å
1046	E	88.4	Confident	80.7	Confident	120 Å²	120	67.4 Å²	67.4	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-69.8	-50.3	176.1	-176.2	170.6	-167.1	0	0	111.9	S1042 V1044 G1048 K1049 N1050	S1042-E1046 WeakPolarHBondContact O-CB 3.19Å; S1042-E1046 PolarHBondContact O-N 3.24Å; V1044-E1046 VanDerWaalsContact C-N 3.34Å; V1044-E1046 PolarHBondContact O-N 3.2Å; E1046-G1048 VanDerWaalsContact C-N 3.29Å; E1046-G1048 PolarHBondContact O-N 3.23Å; E1046-K1049 PolarHBondContact O-N 3.25Å; E1046-N1050 PolarHBondContact O-N 3.5Å; E1046-N1050 PolarHBondContact O-ND2 2.9Å
1047	A	88.8	Confident	82.2	Confident	17 Å²	17	63.2 Å²	63.2	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-57.3	-41.7	176.1	0	0	0	0	0	112	L1027 A1030 G1043 N1050 L1051	L1027-A1047 HydrophobicContact CB-CB 4.19Å; L1027-A1047 HydrophobicContact CD1-CB 4.05Å; A1030-A1047 HydrophobicContact CB-CB 4.12Å; G1043-A1047 WeakPolarHBondContact O-CB 3.34Å; G1043-A1047 PolarHBondContact O-N 3.16Å; G1043-A1047 VanDerWaalsContact O-N 3.08Å; A1047-N1050 PolarHBondContact O-N 3.07Å; A1047-L1051 PolarHBondContact O-N 3.09Å
1048	G	91.6	Very high	83.9	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-34.5	177.4	0	0	0	0	0	114.8	V1044 E1046 L1051 S1052 L1082	V1044-G1048 PolarHBondContact O-N 3.09Å; E1046-G1048 VanDerWaalsContact C-N 3.29Å; E1046-G1048 PolarHBondContact O-N 3.23Å; G1048-L1051 PolarHBondContact O-N 3.5Å; G1048-S1052 PolarHBondContact O-N 3.03Å; G1048-L1082 VanDerWaalsContact C-CD1 3.49Å
1049	K	90	Very high	85.6	Confident	103 Å²	103	50.2 Å²	50.2	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-67.5	-38.9	172.9	-75.8	165.3	-173	172.1	0	111.5	L1045 E1046 K1053	L1045-K1049 WeakPolarHBondContact O-CB 3.13Å; L1045-K1049 VanDerWaalsContact O-CD 3.3Å; L1045-K1049 WeakPolarHBondContact O-CD 3.29Å; L1045-K1049 WeakPolarHBondContact O-CG 3.48Å; L1045-K1049 PolarHBondContact O-N 2.87Å; E1046-K1049 PolarHBondContact O-N 3.25Å; K1049-K1053 WeakPolarHBondContact O-CB 2.93Å; K1049-K1053 PolarHBondContact O-N 3.49Å
1050	N	90.4	Very high	86.8	Confident	66 Å²	66	53.1 Å²	53.1	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-43.2	173.2	-71.5	-31.7	0	0	0	111.6	E1046 A1047 K1053 Y1054	E1046-N1050 PolarHBondContact O-N 3.5Å; E1046-N1050 PolarHBondContact O-ND2 2.9Å; A1047-N1050 PolarHBondContact O-N 3.07Å; N1050-K1053 WeakPolarHBondContact O-CB 3.37Å; N1050-K1053 PolarHBondContact O-N 2.96Å; N1050-Y1054 HydrophobicContact CB-CE2 4.3Å; N1050-Y1054 WeakPolarHBondContact O-CD2 3.39Å; N1050-Y1054 PolarHBondContact O-N 3.32Å
1051	L	93.3	Very high	87.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-46.7	173.9	178.9	58.6	0	0	0	112.5	V1020 A1024 L1027 A1047 G1048 K1053 Y1054 C1055 L1078 V1108 I1111	V1020-L1051 HydrophobicContact CG1-CD1 4.32Å; V1020-L1051 WeakPolarHBondContact O-CD1 3.27Å; A1024-L1051 HydrophobicContact CB-CD1 4.36Å; A1024-L1051 HydrophobicContact CB-CD2 4.41Å; L1027-L1051 HydrophobicContact CB-CD2 4.48Å; L1027-L1051 HydrophobicContact CD2-CD2 3.96Å; A1047-L1051 PolarHBondContact O-N 3.09Å; G1048-L1051 PolarHBondContact O-N 3.5Å; L1051-K1053 VanDerWaalsContact C-N 3.31Å; L1051-K1053 PolarHBondContact O-N 3.22Å; L1051-Y1054 PolarHBondContact O-N 2.91Å; L1051-C1055 VanDerWaalsContact CD1-SG 3.54Å; L1051-C1055 WeakPolarHBondContact O-CB 3.43Å; L1051-C1055 PolarHBondContact O-N 3.28Å; L1051-C1055 PolarHBondContact O-SG 2.72Å; L1051-L1078 HydrophobicContact CB-CD2 4.33Å; L1051-L1078 HydrophobicContact CD2-CD2 3.81Å; L1051-L1078 HydrophobicContact CG-CD2 3.84Å; L1051-V1108 HydrophobicContact CD2-CG1 4.37Å; L1051-V1108 HydrophobicContact CD2-CG2 3.99Å; L1051-I1111 HydrophobicContact CD1-CG2 4.46Å
1052	S	92.8	Very high	88.3	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.3	-169.6	0	0	0	0	110.5	G1048 Y1054 C1055 M1056 E1079	G1048-S1052 PolarHBondContact O-N 3.03Å; S1052-Y1054 PolarHBondContact O-N 2.73Å; S1052-C1055 PolarHBondContact O-N 2.77Å; S1052-C1055 VanDerWaalsContact O-N 3.16Å; S1052-M1056 WeakPolarHBondContact O-CB 3.44Å; S1052-M1056 WeakPolarHBondContact O-CG 3.39Å; S1052-M1056 PolarHBondContact O-N 2.82Å; S1052-E1079 PolarHBondContact OG-OE1 2.83Å
1053	K	91.8	Very high	88.2	Confident	144 Å²	144	57 Å²	57	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-57	-43.4	176.8	-176.4	-176.9	176.3	-173.2	0	113.1	K1049 N1050 L1051 S1057	K1049-K1053 WeakPolarHBondContact O-CB 2.93Å; K1049-K1053 PolarHBondContact O-N 3.49Å; N1050-K1053 WeakPolarHBondContact O-CB 3.37Å; N1050-K1053 PolarHBondContact O-N 2.96Å; L1051-K1053 VanDerWaalsContact C-N 3.31Å; L1051-K1053 PolarHBondContact O-N 3.22Å; K1053-S1057 PolarHBondContact O-N 2.73Å
1054	Y	92.3	Very high	88.2	Confident	72 Å²	72	61.2 Å²	61.2	28%	0.282	31%	0.305	S	S	.	.	H	α-helix	trans	-66.4	-46.8	174.7	-62.9	-45.7	0	0	0	111.6	V1015 M1019 N1050 L1051 S1052 M1056 S1057 Y1058	V1015-Y1054 HydrophobicContact CG1-CD1 4.03Å; V1015-Y1054 HydrophobicContact CG1-CG 4.35Å; V1015-Y1054 HydrophobicContact CG2-CD1 4.27Å; M1019-Y1054 HydrophobicContact CE-CD1 4.09Å; M1019-Y1054 HydrophobicContact CE-CE1 3.69Å; N1050-Y1054 HydrophobicContact CB-CE2 4.3Å; N1050-Y1054 WeakPolarHBondContact O-CD2 3.39Å; N1050-Y1054 PolarHBondContact O-N 3.32Å; L1051-Y1054 PolarHBondContact O-N 2.91Å; S1052-Y1054 PolarHBondContact O-N 2.73Å; Y1054-M1056 PolarHBondContact O-N 2.87Å; Y1054-S1057 PolarHBondContact O-N 2.92Å; Y1054-Y1058 WeakPolarHBondContact O-CB 3.34Å; Y1054-Y1058 PolarHBondContact O-N 3.46Å
1055	C	92.3	Very high	87.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-47.8	178.4	-64.1	0	0	0	0	111.6	L1051 S1052 S1057 Y1058 V1059 F1071 I1075	L1051-C1055 VanDerWaalsContact CD1-SG 3.54Å; L1051-C1055 WeakPolarHBondContact O-CB 3.43Å; L1051-C1055 PolarHBondContact O-N 3.28Å; L1051-C1055 PolarHBondContact O-SG 2.72Å; S1052-C1055 PolarHBondContact O-N 2.77Å; S1052-C1055 VanDerWaalsContact O-N 3.16Å; C1055-S1057 VanDerWaalsContact C-N 3.28Å; C1055-S1057 PolarHBondContact O-N 3.01Å; C1055-Y1058 CarbonylContact O-C 3.36Å; C1055-Y1058 WeakPolarHBondContact O-CA 3.48Å; C1055-Y1058 PolarHBondContact O-N 3.5Å; C1055-V1059 WeakPolarHBondContact O-CG2 3.4Å; C1055-V1059 PolarHBondContact O-N 3.16Å; C1055-F1071 HydrophobicContact CB-CE1 4.09Å; C1055-F1071 HydrophobicContact CB-CZ 3.82Å; C1055-F1071 WeakPolarHBondContact O-CE1 3.26Å; C1055-I1075 HydrophobicContact CB-CD1 3.6Å; C1055-I1075 HydrophobicContact CB-CG1 3.6Å
1056	M	88.4	Confident	87.3	Confident	112 Å²	112	75.5 Å²	75.5	55%	0.552	36%	0.363	S	S	*	.	H	α-helix	trans	-54.1	-41.1	176.5	-73.7	173.7	79.3	0	0	112.4	S1052 Y1054	S1052-M1056 WeakPolarHBondContact O-CB 3.44Å; S1052-M1056 WeakPolarHBondContact O-CG 3.39Å; S1052-M1056 PolarHBondContact O-N 2.82Å; Y1054-M1056 PolarHBondContact O-N 2.87Å
1057	S	88.7	Confident	87.1	Confident	65 Å²	65	71.2 Å²	71.2	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-76.2	-22.9	176.1	-169.6	0	0	0	0	113.5	K1053 Y1054 C1055	K1053-S1057 PolarHBondContact O-N 2.73Å; Y1054-S1057 PolarHBondContact O-N 2.92Å; C1055-S1057 VanDerWaalsContact C-N 3.28Å; C1055-S1057 PolarHBondContact O-N 3.01Å
1058	Y	89.5	Confident	87	Confident	37 Å²	37	72.3 Å²	72.3	15%	0.145	35%	0.346	C	S	.	.	H	α-helix	trans	-87.6	-22.6	-179.7	-171.3	-104.7	0	0	0	113.3	V1015 R1017 V1020 Y1054 C1055 D1060 S1061 I1062 F1071 V1115	V1015-Y1058 WeakPolarHBondContact O-CD2 3.33Å; R1017-Y1058 HydrophobicContact CB-CE2 4.05Å; V1020-Y1058 HydrophobicContact CG2-CD1 4.24Å; V1020-Y1058 HydrophobicContact CG2-CD2 4.22Å; V1020-Y1058 HydrophobicContact CG2-CG 3.79Å; Y1054-Y1058 WeakPolarHBondContact O-CB 3.34Å; Y1054-Y1058 PolarHBondContact O-N 3.46Å; C1055-Y1058 CarbonylContact O-C 3.36Å; C1055-Y1058 WeakPolarHBondContact O-CA 3.48Å; C1055-Y1058 PolarHBondContact O-N 3.5Å; Y1058-D1060 PolarHBondContact O-N 2.79Å; Y1058-D1060 VanDerWaalsContact O-N 3.1Å; Y1058-S1061 VanDerWaalsContact O-CB 3.31Å; Y1058-S1061 WeakPolarHBondContact O-CB 3.38Å; Y1058-S1061 PolarHBondContact O-N 3.18Å; Y1058-I1062 HydrophobicContact CD1-CD1 4.25Å; Y1058-I1062 HydrophobicContact CD1-CG1 4.21Å; Y1058-I1062 HydrophobicContact CE1-CD1 4.25Å; Y1058-I1062 HydrophobicContact CE1-CG1 4.02Å; Y1058-F1071 AromaticContact CD1-CE1 3.95Å; Y1058-F1071 HydrophobicContact CD1-CE1 3.95Å; Y1058-F1071 AromaticContact CD1-CZ 4Å; Y1058-F1071 HydrophobicContact CD1-CZ 4Å; Y1058-V1115 HydrophobicContact CD1-CG2 4.31Å; Y1058-V1115 HydrophobicContact CE1-CG1 4.21Å; Y1058-V1115 HydrophobicContact CE1-CG2 4.05Å
1059	V	89.8	Confident	86.7	Confident	1 Å²	1	78 Å²	78	1%	0.006	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-53.8	-38.1	-175.1	-165.9	0	0	0	0	112.8	C1055 S1061 I1062 K1068 F1071 R1072 I1075	C1055-V1059 WeakPolarHBondContact O-CG2 3.4Å; C1055-V1059 PolarHBondContact O-N 3.16Å; V1059-S1061 VanDerWaalsContact C-N 3.32Å; V1059-I1062 WeakPolarHBondContact O-CB 3.42Å; V1059-I1062 PolarHBondContact O-N 3.02Å; V1059-K1068 HydrophobicContact CG1-CG 3.8Å; V1059-K1068 VanDerWaalsContact O-CE 3.23Å; V1059-K1068 WeakPolarHBondContact O-CE 3.15Å; V1059-F1071 HydrophobicContact CB-CD1 4.25Å; V1059-F1071 HydrophobicContact CG1-CD1 4.21Å; V1059-F1071 HydrophobicContact CG2-CD1 3.9Å; V1059-F1071 HydrophobicContact CG2-CE1 3.99Å; V1059-R1072 HydrophobicContact CG1-CG 3.59Å; V1059-R1072 VanDerWaalsContact CG1-CZ 3.49Å; V1059-I1075 HydrophobicContact CG2-CD1 3.52Å
1060	D	83.1	Confident	86.5	Confident	107 Å²	107	74.4 Å²	74.4	57%	0.572	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-83.3	-7.7	-175.8	-64.9	-46.4	0	0	0	114.1	Y1058 I1062 K1068 R1072	Y1058-D1060 PolarHBondContact O-N 2.79Å; Y1058-D1060 VanDerWaalsContact O-N 3.1Å; D1060-I1062 VanDerWaalsContact C-N 3.33Å; D1060-K1068 WeakPolarHBondContact OD1-CE 3.45Å; D1060-K1068 IonicContact OD1-NZ 2.72Å; D1060-K1068 PolarHBondContact OD1-NZ 2.91Å; D1060-R1072 IonicContact OD1-NH2 3.6Å; D1060-R1072 PolarHBondContact OD1-NH2 3.3Å; D1060-R1072 VanDerWaalsContact OD1-NH2 3.16Å; D1060-R1072 IonicContact OD2-NH2 3.71Å
1061	S	84.8	Confident	86.6	Confident	69 Å²	69	71.3 Å²	71.3	48%	0.483	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-75.7	-18.9	163.3	-55.6	0	0	0	0	113	Y1058 V1059 Q1063	Y1058-S1061 VanDerWaalsContact O-CB 3.31Å; Y1058-S1061 WeakPolarHBondContact O-CB 3.38Å; Y1058-S1061 PolarHBondContact O-N 3.18Å; V1059-S1061 VanDerWaalsContact C-N 3.32Å; S1061-Q1063 PolarHBondContact O-N 3.49Å
1062	I	84.7	Confident	86.6	Confident	23 Å²	23	77.1 Å²	77.1	12%	0.118	37%	0.366	C	S	.	.			trans	-79.4	106.4	-178.9	-55.5	179.4	0	0	0	110	Y1058 V1059 D1060 N1067 K1068 F1071	Y1058-I1062 HydrophobicContact CD1-CD1 4.25Å; Y1058-I1062 HydrophobicContact CD1-CG1 4.21Å; Y1058-I1062 HydrophobicContact CE1-CD1 4.25Å; Y1058-I1062 HydrophobicContact CE1-CG1 4.02Å; V1059-I1062 WeakPolarHBondContact O-CB 3.42Å; V1059-I1062 PolarHBondContact O-N 3.02Å; D1060-I1062 VanDerWaalsContact C-N 3.33Å; I1062-N1067 HydrophobicContact CG2-CB 4.02Å; I1062-K1068 HydrophobicContact CB-CB 4.29Å; I1062-K1068 HydrophobicContact CB-CG 4.41Å; I1062-K1068 HydrophobicContact CG2-CB 4Å; I1062-K1068 WeakPolarHBondContact O-CD 3.35Å; I1062-F1071 HydrophobicContact CD1-CB 3.77Å; I1062-F1071 HydrophobicContact CD1-CD1 3.32Å; I1062-F1071 HydrophobicContact CD1-CD2 4.26Å; I1062-F1071 HydrophobicContact CD1-CE1 3.89Å; I1062-F1071 HydrophobicContact CD1-CG 3.53Å
1063	Q	78.1	Confident	86.5	Confident	189 Å²	189	82.5 Å²	82.5	88%	0.883	39%	0.39	S	S	*	.			trans	-74.8	-33.1	-178.1	-63.5	-175.1	-2.6	0	0	114	S1061 M1065	S1061-Q1063 PolarHBondContact O-N 3.49Å; Q1063-M1065 PolarHBondContact O-N 2.99Å
1064	Q	80.4	Confident	86.4	Confident	132 Å²	132	75.6 Å²	75.6	62%	0.617	36%	0.36	S	S	*	.			trans	-80.6	108.6	-178.2	-66.5	-168.8	24.2	0	0	111.1	R1066 N1067 K1068	Q1064-R1066 VanDerWaalsContact C-N 3.25Å; Q1064-R1066 PolarHBondContact O-N 3.14Å; Q1064-R1066 VanDerWaalsContact O-N 3.12Å; Q1064-N1067 HydrophobicContact CB-CB 4.36Å; Q1064-N1067 PolarHBondContact O-N 3.29Å; Q1064-K1068 PolarHBondContact O-N 3.47Å
1065	M	78.1	Confident	86.5	Confident	109 Å²	109	72.9 Å²	72.9	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-51.1	-39.3	-177.4	-74	-67.1	-77.8	0	0	113.9	Q1063 N1067 K1068 F1069	Q1063-M1065 PolarHBondContact O-N 2.99Å; M1065-N1067 PolarHBondContact O-N 3.05Å; M1065-K1068 WeakPolarHBondContact O-CB 3.16Å; M1065-K1068 PolarHBondContact O-N 3.35Å; M1065-K1068 HydrophobicContact SD-CD 4.21Å; M1065-F1069 HydrophobicContact CB-CE2 4.39Å; M1065-F1069 HydrophobicContact CE-CE2 3.81Å; M1065-F1069 HydrophobicContact CE-CZ 3.9Å; M1065-F1069 WeakPolarHBondContact O-CD2 3.04Å; M1065-F1069 PolarHBondContact O-N 3.25Å
1066	R	76.4	Confident	86.5	Confident	214 Å²	214	77.1 Å²	77.1	81%	0.808	37%	0.373	S	S	*	.	H	α-helix	trans	-60.4	-43.3	176.7	-175.9	177.1	-179.5	169.5	1.7	112.7	Q1064 A1070	Q1064-R1066 VanDerWaalsContact C-N 3.25Å; Q1064-R1066 PolarHBondContact O-N 3.14Å; Q1064-R1066 VanDerWaalsContact O-N 3.12Å; R1066-A1070 PolarHBondContact O-N 3.41Å
1067	N	83.3	Confident	86.6	Confident	30 Å²	30	74.7 Å²	74.7	16%	0.16	36%	0.362	C	S	.	.	H	α-helix	trans	-73.6	-35.4	176.9	-65.7	6.3	0	0	0	110.3	I1062 Q1064 M1065 F1069 A1070 F1071	I1062-N1067 HydrophobicContact CG2-CB 4.02Å; Q1064-N1067 HydrophobicContact CB-CB 4.36Å; Q1064-N1067 PolarHBondContact O-N 3.29Å; M1065-N1067 PolarHBondContact O-N 3.05Å; N1067-F1069 PolarHBondContact O-N 2.98Å; N1067-A1070 PolarHBondContact O-N 3.49Å; N1067-F1071 VanDerWaalsContact O-CB 3.25Å; N1067-F1071 WeakPolarHBondContact O-CB 3.44Å; N1067-F1071 PolarHBondContact O-N 3.04Å
1068	K	87.7	Confident	86.7	Confident	40 Å²	40	71.6 Å²	71.6	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-38.6	175.7	-164.6	174.1	-172.3	160.7	0	112.6	V1059 D1060 I1062 Q1064 M1065 R1072	V1059-K1068 HydrophobicContact CG1-CG 3.8Å; V1059-K1068 VanDerWaalsContact O-CE 3.23Å; V1059-K1068 WeakPolarHBondContact O-CE 3.15Å; D1060-K1068 WeakPolarHBondContact OD1-CE 3.45Å; D1060-K1068 IonicContact OD1-NZ 2.72Å; D1060-K1068 PolarHBondContact OD1-NZ 2.91Å; I1062-K1068 HydrophobicContact CB-CB 4.29Å; I1062-K1068 HydrophobicContact CB-CG 4.41Å; I1062-K1068 HydrophobicContact CG2-CB 4Å; I1062-K1068 WeakPolarHBondContact O-CD 3.35Å; Q1064-K1068 PolarHBondContact O-N 3.47Å; M1065-K1068 WeakPolarHBondContact O-CB 3.16Å; M1065-K1068 PolarHBondContact O-N 3.35Å; M1065-K1068 HydrophobicContact SD-CD 4.21Å; K1068-R1072 WeakPolarHBondContact O-CG 3.48Å; K1068-R1072 PolarHBondContact O-N 3.01Å; K1068-R1072 VanDerWaalsContact O-N 3.07Å
1069	F	84.3	Confident	86.9	Confident	118 Å²	118	72.3 Å²	72.3	52%	0.518	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-53	172.7	-78	-61.3	0	0	0	111.7	M1065 N1067 F1071 R1072 E1073	M1065-F1069 HydrophobicContact CB-CE2 4.39Å; M1065-F1069 HydrophobicContact CE-CE2 3.81Å; M1065-F1069 HydrophobicContact CE-CZ 3.9Å; M1065-F1069 WeakPolarHBondContact O-CD2 3.04Å; M1065-F1069 PolarHBondContact O-N 3.25Å; N1067-F1069 PolarHBondContact O-N 2.98Å; F1069-F1071 PolarHBondContact O-N 2.82Å; F1069-R1072 PolarHBondContact O-N 2.62Å; F1069-R1072 VanDerWaalsContact O-N 3.09Å; F1069-E1073 PolarHBondContact O-N 3.42Å
1070	A	86.3	Confident	86.9	Confident	29 Å²	29	75 Å²	75	24%	0.24	36%	0.362	C	S	.	.	H	α-helix	trans	-57.9	-34.9	177.2	0	0	0	0	0	112.3	R1066 N1067 E1073 A1074 I1114	R1066-A1070 PolarHBondContact O-N 3.41Å; N1067-A1070 PolarHBondContact O-N 3.49Å; A1070-E1073 PolarHBondContact O-N 2.89Å; A1070-A1074 WeakPolarHBondContact O-CB 3.46Å; A1070-A1074 PolarHBondContact O-N 3.41Å; A1070-I1114 HydrophobicContact CB-CD1 3.81Å; A1070-I1114 WeakPolarHBondContact O-CD1 3.13Å
1071	F	93.2	Very high	87.2	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69	-42.3	176.3	-163.4	-121.9	0	0	0	112.1	V1020 C1055 Y1058 V1059 I1062 N1067 F1069 E1073 A1074 I1075 I1111 I1114 V1115	V1020-F1071 HydrophobicContact CG1-CZ 4.27Å; C1055-F1071 HydrophobicContact CB-CE1 4.09Å; C1055-F1071 HydrophobicContact CB-CZ 3.82Å; C1055-F1071 WeakPolarHBondContact O-CE1 3.26Å; Y1058-F1071 AromaticContact CD1-CE1 3.95Å; Y1058-F1071 HydrophobicContact CD1-CE1 3.95Å; Y1058-F1071 AromaticContact CD1-CZ 4Å; Y1058-F1071 HydrophobicContact CD1-CZ 4Å; V1059-F1071 HydrophobicContact CB-CD1 4.25Å; V1059-F1071 HydrophobicContact CG1-CD1 4.21Å; V1059-F1071 HydrophobicContact CG2-CD1 3.9Å; V1059-F1071 HydrophobicContact CG2-CE1 3.99Å; I1062-F1071 HydrophobicContact CD1-CB 3.77Å; I1062-F1071 HydrophobicContact CD1-CD1 3.32Å; I1062-F1071 HydrophobicContact CD1-CD2 4.26Å; I1062-F1071 HydrophobicContact CD1-CE1 3.89Å; I1062-F1071 HydrophobicContact CD1-CG 3.53Å; N1067-F1071 VanDerWaalsContact O-CB 3.25Å; N1067-F1071 WeakPolarHBondContact O-CB 3.44Å; N1067-F1071 PolarHBondContact O-N 3.04Å; F1069-F1071 PolarHBondContact O-N 2.82Å; F1071-E1073 VanDerWaalsContact C-N 3.31Å; F1071-E1073 PolarHBondContact O-N 3.31Å; F1071-A1074 PolarHBondContact O-N 2.63Å; F1071-I1075 HydrophobicContact CD1-CD1 3.75Å; F1071-I1075 HydrophobicContact CE1-CD1 3.77Å; F1071-I1075 HydrophobicContact CG-CD1 4.33Å; F1071-I1075 HydrophobicContact CZ-CD1 4.35Å; F1071-I1075 WeakPolarHBondContact O-CD1 3.43Å; F1071-I1075 WeakPolarHBondContact O-CG1 3.28Å; F1071-I1075 PolarHBondContact O-N 2.95Å; F1071-I1111 HydrophobicContact CE2-CB 4.45Å; F1071-I1111 HydrophobicContact CE2-CG1 4.45Å; F1071-I1111 HydrophobicContact CE2-CG2 4Å; F1071-I1114 HydrophobicContact CB-CG2 4Å; F1071-I1114 HydrophobicContact CD2-CB 4.19Å; F1071-I1114 HydrophobicContact CD2-CG2 3.83Å; F1071-I1114 HydrophobicContact CG-CG2 4.28Å; F1071-V1115 HydrophobicContact CD2-CG2 4.19Å; F1071-V1115 HydrophobicContact CE2-CG2 3.36Å; F1071-V1115 HydrophobicContact CZ-CG2 3.78Å
1072	R	92.3	Very high	87.3	Confident	122 Å²	122	67.7 Å²	67.7	46%	0.46	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-35.9	173.5	-73.3	-176.8	-179.3	-80.7	-3.6	112.1	V1059 D1060 K1068 F1069 N1076	V1059-R1072 HydrophobicContact CG1-CG 3.59Å; V1059-R1072 VanDerWaalsContact CG1-CZ 3.49Å; D1060-R1072 IonicContact OD1-NH2 3.6Å; D1060-R1072 PolarHBondContact OD1-NH2 3.3Å; D1060-R1072 VanDerWaalsContact OD1-NH2 3.16Å; D1060-R1072 IonicContact OD2-NH2 3.71Å; K1068-R1072 WeakPolarHBondContact O-CG 3.48Å; K1068-R1072 PolarHBondContact O-N 3.01Å; K1068-R1072 VanDerWaalsContact O-N 3.07Å; F1069-R1072 PolarHBondContact O-N 2.62Å; F1069-R1072 VanDerWaalsContact O-N 3.09Å; R1072-N1076 WeakPolarHBondContact O-CB 3.31Å; R1072-N1076 PolarHBondContact O-N 3.39Å
1073	E	90.7	Very high	87.4	Confident	119 Å²	119	73.3 Å²	73.3	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-63.6	-50.3	173.3	-173.7	168.4	-162.7	0	0	111.3	F1069 A1070 F1071 I1075 N1076 N1077	F1069-E1073 PolarHBondContact O-N 3.42Å; A1070-E1073 PolarHBondContact O-N 2.89Å; F1071-E1073 VanDerWaalsContact C-N 3.31Å; F1071-E1073 PolarHBondContact O-N 3.31Å; E1073-I1075 VanDerWaalsContact C-N 3.35Å; E1073-I1075 PolarHBondContact O-N 2.9Å; E1073-N1076 PolarHBondContact O-N 3.29Å; E1073-N1076 VanDerWaalsContact O-N 3.08Å; E1073-N1077 VanDerWaalsContact O-CG 3.23Å; E1073-N1077 PolarHBondContact O-N 2.95Å; E1073-N1077 PolarHBondContact O-ND2 3Å
1074	A	91.1	Very high	87.7	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-36.5	177.8	0	0	0	0	0	113.4	A1070 F1071 N1077 L1078 E1110 I1111 I1114	A1070-A1074 WeakPolarHBondContact O-CB 3.46Å; A1070-A1074 PolarHBondContact O-N 3.41Å; F1071-A1074 PolarHBondContact O-N 2.63Å; A1074-N1077 PolarHBondContact O-N 2.75Å; A1074-L1078 WeakPolarHBondContact O-CB 3.39Å; A1074-L1078 PolarHBondContact O-N 2.63Å; A1074-E1110 HydrophobicContact CB-CB 4.11Å; A1074-E1110 HydrophobicContact CB-CG 3.74Å; A1074-I1111 HydrophobicContact CB-CG1 3.75Å; A1074-I1114 HydrophobicContact CB-CD1 4.2Å
1075	I	93.7	Very high	87.6	Confident	15 Å²	15	62.8 Å²	62.8	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-44.1	171.4	-67.4	162.7	0	0	0	111	C1055 V1059 F1071 E1073 N1077 L1078 E1079	C1055-I1075 HydrophobicContact CB-CD1 3.6Å; C1055-I1075 HydrophobicContact CB-CG1 3.6Å; V1059-I1075 HydrophobicContact CG2-CD1 3.52Å; F1071-I1075 HydrophobicContact CD1-CD1 3.75Å; F1071-I1075 HydrophobicContact CE1-CD1 3.77Å; F1071-I1075 HydrophobicContact CG-CD1 4.33Å; F1071-I1075 HydrophobicContact CZ-CD1 4.35Å; F1071-I1075 WeakPolarHBondContact O-CD1 3.43Å; F1071-I1075 WeakPolarHBondContact O-CG1 3.28Å; F1071-I1075 PolarHBondContact O-N 2.95Å; E1073-I1075 VanDerWaalsContact C-N 3.35Å; E1073-I1075 PolarHBondContact O-N 2.9Å; I1075-N1077 VanDerWaalsContact C-N 3.3Å; I1075-N1077 PolarHBondContact O-N 3.16Å; I1075-L1078 WeakPolarHBondContact O-CB 3.45Å; I1075-L1078 PolarHBondContact O-N 2.98Å; I1075-E1079 PolarHBondContact O-N 3.43Å
1076	N	91.2	Very high	87.7	Confident	89 Å²	89	63.2 Å²	63.2	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-34.1	178.1	-175.2	78.6	0	0	0	112.1	R1072 E1073 E1079 T1080	R1072-N1076 WeakPolarHBondContact O-CB 3.31Å; R1072-N1076 PolarHBondContact O-N 3.39Å; E1073-N1076 PolarHBondContact O-N 3.29Å; E1073-N1076 VanDerWaalsContact O-N 3.08Å; N1076-E1079 PolarHBondContact O-N 3.08Å; N1076-T1080 WeakPolarHBondContact O-CB 3.29Å; N1076-T1080 PolarHBondContact O-N 3.3Å; N1076-T1080 PolarHBondContact O-OG1 3.3Å
1077	N	90.9	Very high	87.6	Confident	60 Å²	60	59.3 Å²	59.3	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-42.5	173.2	-65.6	-20.1	0	0	0	111.4	E1073 A1074 I1075 S1081	E1073-N1077 VanDerWaalsContact O-CG 3.23Å; E1073-N1077 PolarHBondContact O-N 2.95Å; E1073-N1077 PolarHBondContact O-ND2 3Å; A1074-N1077 PolarHBondContact O-N 2.75Å; I1075-N1077 VanDerWaalsContact C-N 3.3Å; I1075-N1077 PolarHBondContact O-N 3.16Å; N1077-S1081 WeakPolarHBondContact O-CB 3.42Å; N1077-S1081 PolarHBondContact O-N 2.92Å; N1077-S1081 PolarHBondContact O-OG 3.23Å
1078	L	92.4	Very high	86.4	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-51.6	171.4	171	63.8	0	0	0	111.4	L1027 L1051 A1074 I1075 T1080 S1081 L1082 L1104 V1108 I1111	L1027-L1078 HydrophobicContact CD2-CD1 3.86Å; L1051-L1078 HydrophobicContact CB-CD2 4.33Å; L1051-L1078 HydrophobicContact CD2-CD2 3.81Å; L1051-L1078 HydrophobicContact CG-CD2 3.84Å; A1074-L1078 WeakPolarHBondContact O-CB 3.39Å; A1074-L1078 PolarHBondContact O-N 2.63Å; I1075-L1078 WeakPolarHBondContact O-CB 3.45Å; I1075-L1078 PolarHBondContact O-N 2.98Å; L1078-T1080 PolarHBondContact O-N 3.42Å; L1078-S1081 PolarHBondContact O-N 2.91Å; L1078-L1082 HydrophobicContact CD1-CD1 3.78Å; L1078-L1082 HydrophobicContact CD1-CG 4.14Å; L1078-L1082 HydrophobicContact CG-CD1 3.93Å; L1078-L1082 VanDerWaalsContact O-CG 3.31Å; L1078-L1082 WeakPolarHBondContact O-CG 3.29Å; L1078-L1082 PolarHBondContact O-N 2.98Å; L1078-L1104 HydrophobicContact CD1-CD1 3.53Å; L1078-V1108 HydrophobicContact CD1-CG2 4.29Å; L1078-I1111 HydrophobicContact CB-CD1 3.97Å; L1078-I1111 HydrophobicContact CD2-CD1 3.58Å; L1078-I1111 HydrophobicContact CG-CD1 4.35Å
1079	E	92.4	Very high	84.6	Confident	53 Å²	53	64 Å²	64	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-40	-179.7	-73.1	-153.4	174.3	0	0	113.1	S1052 I1075 N1076 S1081 L1082 R1083	S1052-E1079 PolarHBondContact OG-OE1 2.83Å; I1075-E1079 PolarHBondContact O-N 3.43Å; N1076-E1079 PolarHBondContact O-N 3.08Å; E1079-S1081 VanDerWaalsContact C-N 3.34Å; E1079-L1082 PolarHBondContact O-N 3.33Å; E1079-R1083 VanDerWaalsContact O-CG 3.29Å; E1079-R1083 WeakPolarHBondContact O-CG 3.42Å; E1079-R1083 PolarHBondContact O-N 3.21Å; E1079-R1083 IonicContact OE2-CZ 3.59Å; E1079-R1083 IonicContact OE2-NH2 3.91Å; E1079-R1083 PolarHBondContact OE2-NH2 2.88Å
1080	T	90.1	Very high	83	Confident	57 Å²	57	64.1 Å²	64.1	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-46.6	175.6	-56.9	0	0	0	0	110.5	N1076 L1078 L1082 R1083 E1084	N1076-T1080 WeakPolarHBondContact O-CB 3.29Å; N1076-T1080 PolarHBondContact O-N 3.3Å; N1076-T1080 PolarHBondContact O-OG1 3.3Å; L1078-T1080 PolarHBondContact O-N 3.42Å; T1080-L1082 VanDerWaalsContact C-N 3.32Å; T1080-L1082 PolarHBondContact O-N 3.06Å; T1080-R1083 PolarHBondContact O-N 2.58Å; T1080-R1083 VanDerWaalsContact O-N 3.16Å; T1080-E1084 PolarHBondContact O-N 3.36Å
1081	S	88.4	Confident	81	Confident	12 Å²	12	66.7 Å²	66.7	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-38.4	176.8	-57	0	0	0	0	112.5	N1077 L1078 E1079 L1085	N1077-S1081 WeakPolarHBondContact O-CB 3.42Å; N1077-S1081 PolarHBondContact O-N 2.92Å; N1077-S1081 PolarHBondContact O-OG 3.23Å; L1078-S1081 PolarHBondContact O-N 2.91Å; E1079-S1081 VanDerWaalsContact C-N 3.34Å; S1081-L1085 WeakPolarHBondContact O-CB 3.3Å; S1081-L1085 PolarHBondContact O-N 3.41Å; S1081-L1085 VanDerWaalsContact O-N 3.08Å
1082	L	88.2	Confident	78.4	Confident	10 Å²	10	73.1 Å²	73.1	5%	0.052	40%	0.397	C	S	.	.	H	α-helix	trans	-71.9	-30.5	176.3	-69.1	167.8	0	0	0	112.9	L1045 G1048 L1078 E1079 T1080 Q1086 L1104	L1045-L1082 HydrophobicContact CD2-CD2 4.23Å; L1045-L1082 WeakPolarHBondContact CD2-O 3.45Å; G1048-L1082 VanDerWaalsContact C-CD1 3.49Å; L1078-L1082 HydrophobicContact CD1-CD1 3.78Å; L1078-L1082 HydrophobicContact CD1-CG 4.14Å; L1078-L1082 HydrophobicContact CG-CD1 3.93Å; L1078-L1082 VanDerWaalsContact O-CG 3.31Å; L1078-L1082 WeakPolarHBondContact O-CG 3.29Å; L1078-L1082 PolarHBondContact O-N 2.98Å; E1079-L1082 PolarHBondContact O-N 3.33Å; T1080-L1082 VanDerWaalsContact C-N 3.32Å; T1080-L1082 PolarHBondContact O-N 3.06Å; L1082-Q1086 WeakPolarHBondContact O-CB 3.42Å; L1082-Q1086 PolarHBondContact O-N 2.92Å; L1082-Q1086 VanDerWaalsContact O-N 3.08Å; L1082-L1104 HydrophobicContact CD2-CD1 3.98Å; L1082-L1104 HydrophobicContact CD2-CD2 4.43Å; L1082-L1104 HydrophobicContact CG-CD1 4.06Å
1083	R	86.9	Confident	76	Confident	141 Å²	141	71.9 Å²	71.9	53%	0.532	42%	0.422	S	S	.	.	H	α-helix	trans	-72.1	-42.5	173.4	-69	172.8	-152	174.2	8.3	111.4	E1079 T1080 L1085 Q1086 I1087	E1079-R1083 VanDerWaalsContact O-CG 3.29Å; E1079-R1083 WeakPolarHBondContact O-CG 3.42Å; E1079-R1083 PolarHBondContact O-N 3.21Å; E1079-R1083 IonicContact OE2-CZ 3.59Å; E1079-R1083 IonicContact OE2-NH2 3.91Å; E1079-R1083 PolarHBondContact OE2-NH2 2.88Å; T1080-R1083 PolarHBondContact O-N 2.58Å; T1080-R1083 VanDerWaalsContact O-N 3.16Å; R1083-L1085 VanDerWaalsContact C-N 3.34Å; R1083-L1085 PolarHBondContact O-N 3.28Å; R1083-Q1086 PolarHBondContact O-N 3.14Å; R1083-I1087 WeakPolarHBondContact O-CD1 3.39Å; R1083-I1087 VanDerWaalsContact O-CG1 3.26Å; R1083-I1087 WeakPolarHBondContact O-CG1 3.17Å; R1083-I1087 PolarHBondContact O-N 3.07Å; R1083-I1087 VanDerWaalsContact O-N 3.13Å
1084	E	83.5	Confident	73.4	Confident	86 Å²	86	68.8 Å²	68.8	40%	0.402	42%	0.422	S	S	.	.	H	α-helix	trans	-54.3	-51.3	170.9	-71.4	-178.4	-172.8	0	0	110.7	T1080 Q1086 I1087 C1088 K1103	T1080-E1084 PolarHBondContact O-N 3.36Å; E1084-Q1086 VanDerWaalsContact C-N 3.25Å; E1084-Q1086 PolarHBondContact O-N 3.39Å; E1084-I1087 PolarHBondContact O-N 3.13Å; E1084-I1087 VanDerWaalsContact O-N 3.07Å; E1084-C1088 PolarHBondContact O-N 3.37Å; E1084-K1103 IonicContact OE1-NZ 2.69Å; E1084-K1103 PolarHBondContact OE1-NZ 2.98Å; E1084-K1103 IonicContact OE2-NZ 2.66Å; E1084-K1103 PolarHBondContact OE2-NZ 3.15Å
1085	L	79.1	Confident	71.2	Confident	15 Å²	15	73.6 Å²	73.6	8%	0.079	46%	0.462	C	S	.	.	H	α-helix	trans	-61.4	-28.7	178.6	-173.2	65	0	0	0	113.6	H1041 V1044 L1045 S1081 R1083 Q1099 F1101 L1104	H1041-L1085 HydrophobicContact CB-CD1 4.43Å; H1041-L1085 HydrophobicContact CB-CG 4.45Å; V1044-L1085 HydrophobicContact CB-CD2 4.31Å; V1044-L1085 HydrophobicContact CG1-CD2 3.75Å; L1045-L1085 HydrophobicContact CD2-CB 4.11Å; L1045-L1085 HydrophobicContact CD2-CD2 3.9Å; L1045-L1085 HydrophobicContact CD2-CG 4.02Å; L1045-L1085 HydrophobicContact CG-CD2 4.17Å; L1045-L1085 HydrophobicContact CG-CG 4.4Å; S1081-L1085 WeakPolarHBondContact O-CB 3.3Å; S1081-L1085 PolarHBondContact O-N 3.41Å; S1081-L1085 VanDerWaalsContact O-N 3.08Å; R1083-L1085 VanDerWaalsContact C-N 3.34Å; R1083-L1085 PolarHBondContact O-N 3.28Å; L1085-Q1099 VanDerWaalsContact CD1-OE1 3.27Å; L1085-F1101 HydrophobicContact CD1-CE1 3.94Å; L1085-F1101 HydrophobicContact CD2-CE1 4.1Å; L1085-L1104 HydrophobicContact CD2-CD2 4.39Å
1086	Q	78.8	Confident	68.9	Low	117 Å²	117	81 Å²	81	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-83.5	-16	177.1	-165.8	176.3	-53.2	0	0	113.4	L1045 L1082 R1083 E1084	L1045-Q1086 HydrophobicContact CD1-CB 4.36Å; L1045-Q1086 HydrophobicContact CD1-CG 4.37Å; L1045-Q1086 HydrophobicContact CD2-CB 4.09Å; L1082-Q1086 WeakPolarHBondContact O-CB 3.42Å; L1082-Q1086 PolarHBondContact O-N 2.92Å; L1082-Q1086 VanDerWaalsContact O-N 3.08Å; R1083-Q1086 PolarHBondContact O-N 3.14Å; E1084-Q1086 VanDerWaalsContact C-N 3.25Å; E1084-Q1086 PolarHBondContact O-N 3.39Å
1087	I	75.1	Confident	66.8	Low	133 Å²	133	80.9 Å²	80.9	68%	0.682	51%	0.513	S	S	*	.	H	α-helix	trans	-89.9	-24.6	-178.6	-70.8	165	0	0	0	112	R1083 E1084 P1089	R1083-I1087 WeakPolarHBondContact O-CD1 3.39Å; R1083-I1087 VanDerWaalsContact O-CG1 3.26Å; R1083-I1087 WeakPolarHBondContact O-CG1 3.17Å; R1083-I1087 PolarHBondContact O-N 3.07Å; R1083-I1087 VanDerWaalsContact O-N 3.13Å; E1084-I1087 PolarHBondContact O-N 3.13Å; E1084-I1087 VanDerWaalsContact O-N 3.07Å; I1087-P1089 WeakPolarHBondContact O-CD 3.32Å
1088	C	58.5	Low	65	Low	65 Å²	65	87.1 Å²	87.1	44%	0.439	54%	0.54	S	S	.	.	S	Bend	trans	-71.8	112.9	174.2	-68	0	0	0	0	112	E1084	E1084-C1088 PolarHBondContact O-N 3.37Å
1089	P	50	Low	63.6	Low	103 Å²	103	90.7 Å²	90.7	67%	0.669	56%	0.557	S	S	*	*			trans	-78.1	134.7	178.1	-10	28.5	0	0	0	110.7	I1087 A1091	I1087-P1089 WeakPolarHBondContact O-CD 3.32Å; P1089-A1091 HydrophobicContact CB-CB 4.09Å; P1089-A1091 PolarHBondContact O-N 3.25Å
1090	S	50.7	Low	62.6	Low	121 Å²	121	93.7 Å²	93.7	85%	0.846	58%	0.575	S	S	*	*	S	Bend	trans	-74.3	43.1	170.1	-175.6	0	0	0	0	112.3
1091	A	43.4	Very low	62.3	Low	83 Å²	83	92.4 Å²	92.4	69%	0.686	56%	0.564	S	S	*	*			trans	-133.3	41.2	-165.2	0	0	0	0	0	113	P1089	P1089-A1091 HydrophobicContact CB-CB 4.09Å; P1089-A1091 PolarHBondContact O-N 3.25Å
1092	T	40	Very low	62.2	Low	134 Å²	134	96 Å²	96	82%	0.822	59%	0.586	S	S	*	*	S	Bend	trans	-139.7	119.3	161	0.9	0	0	0	0	108.6	G1094	T1092-G1094 PolarHBondContact O-N 3.19Å
1093	G	41.7	Very low	62	Low	97 Å²	97	100.7 Å²	100.7	100%	1	61%	0.606	S	S	*	*			trans	-73.5	88.7	-176.9	0	0	0	0	0	111.9
1094	G	35.5	Very low	62	Low	54 Å²	54	94.3 Å²	94.3	56%	0.557	58%	0.582	S	S	*	*			trans	-139.9	116.3	172.7	0	0	0	0	0	110.5	T1092	T1092-G1094 PolarHBondContact O-N 3.19Å
1095	A	45.5	Very low	62.3	Low	101 Å²	101	93.5 Å²	93.5	84%	0.835	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	147.6	171.2	0	0	0	0	0	110.3
1096	N	44.9	Very low	62.8	Low	169 Å²	169	96.3 Å²	96.3	90%	0.904	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	42.1	177.5	-59.3	-3.9	0	0	0	116.8
1097	A	46	Very low	63.3	Low	87 Å²	87	91 Å²	91	72%	0.719	58%	0.577	S	S	*	*			trans	-95.6	77.6	154.8	0	0	0	0	0	110.3	Q1099	A1097-Q1099 PolarHBondContact O-N 3.08Å
1098	Q	53.6	Low	64.1	Low	192 Å²	192	84.7 Å²	84.7	90%	0.897	55%	0.545	S	S	*	.			trans	-73.8	104.2	-179.2	-170.7	168.2	-6.2	0	0	110.1
1099	Q	63.3	Low	65.7	Low	74 Å²	74	87.2 Å²	87.2	35%	0.346	55%	0.548	S	S	.	.			trans	-68.4	140	-176	-72.8	-161	3.8	0	0	112.8	L1085 A1097 F1101	L1085-Q1099 VanDerWaalsContact CD1-OE1 3.27Å; A1097-Q1099 PolarHBondContact O-N 3.08Å; Q1099-F1101 PolarHBondContact O-N 3.44Å
1100	D	72.4	Confident	67.6	Low	116 Å²	116	85.6 Å²	85.6	62%	0.62	53%	0.532	S	S	*	.			trans	-87.1	100.1	-177.3	-179.2	21.7	0	0	0	112.4	T1102	D1100-T1102 PolarHBondContact O-N 3.46Å; D1100-T1102 WeakPolarHBondContact OD1-CB 3.26Å; D1100-T1102 PolarHBondContact OD1-N 3.48Å; D1100-T1102 PolarHBondContact OD1-OG1 3.25Å
1101	F	83.5	Confident	69.6	Low	31 Å²	31	79.9 Å²	79.9	14%	0.136	49%	0.492	C	S	.	.			trans	-78.3	4.1	173.4	-65	-73.1	0	0	0	114.1	I1031 M1034 V1044 L1085 Q1099 K1103 L1104 L1105	I1031-F1101 HydrophobicContact CG1-CD1 4.39Å; I1031-F1101 HydrophobicContact CG2-CB 3.69Å; I1031-F1101 HydrophobicContact CG2-CD1 4.32Å; I1031-F1101 HydrophobicContact CG2-CD2 3.95Å; I1031-F1101 HydrophobicContact CG2-CG 3.73Å; M1034-F1101 HydrophobicContact SD-CZ 4.47Å; V1044-F1101 HydrophobicContact CG1-CE1 4.29Å; L1085-F1101 HydrophobicContact CD1-CE1 3.94Å; L1085-F1101 HydrophobicContact CD2-CE1 4.1Å; Q1099-F1101 PolarHBondContact O-N 3.44Å; F1101-K1103 PolarHBondContact O-N 3.4Å; F1101-L1104 HydrophobicContact CD1-CD2 4.13Å; F1101-L1104 WeakPolarHBondContact O-CB 3.49Å; F1101-L1104 PolarHBondContact O-N 2.96Å; F1101-L1105 HydrophobicContact CB-CD1 4.36Å; F1101-L1105 PolarHBondContact O-N 2.82Å
1102	T	84.9	Confident	71.9	Confident	88 Å²	88	76 Å²	76	54%	0.54	46%	0.459	S	S	.	.	H	α-helix	trans	-59	-40.5	-174.7	-59	0	0	0	0	113	D1100 L1104 S1106	D1100-T1102 PolarHBondContact O-N 3.46Å; D1100-T1102 WeakPolarHBondContact OD1-CB 3.26Å; D1100-T1102 PolarHBondContact OD1-N 3.48Å; D1100-T1102 PolarHBondContact OD1-OG1 3.25Å; T1102-L1104 VanDerWaalsContact C-N 3.31Å; T1102-L1104 PolarHBondContact O-N 3.49Å; T1102-S1106 VanDerWaalsContact O-CB 3.27Å; T1102-S1106 WeakPolarHBondContact O-CB 3.31Å; T1102-S1106 PolarHBondContact O-N 3Å
1103	K	84.9	Confident	74.2	Confident	108 Å²	108	72.6 Å²	72.6	47%	0.47	44%	0.436	S	S	.	.	H	α-helix	trans	-56.8	-45.3	173.5	-68.4	-176.1	-179.5	176.7	0	112.1	E1084 F1101 S1106 S1107	E1084-K1103 IonicContact OE1-NZ 2.69Å; E1084-K1103 PolarHBondContact OE1-NZ 2.98Å; E1084-K1103 IonicContact OE2-NZ 2.66Å; E1084-K1103 PolarHBondContact OE2-NZ 3.15Å; F1101-K1103 PolarHBondContact O-N 3.4Å; K1103-S1106 PolarHBondContact O-N 3.34Å; K1103-S1107 PolarHBondContact O-N 2.99Å; K1103-S1107 PolarHBondContact O-OG 3.23Å
1104	L	87.3	Confident	76.4	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-70.2	-47.4	-176.3	-170.4	61.8	0	0	0	110.5	L1027 I1031 V1044 L1078 L1082 L1085 F1101 T1102 S1106 S1107 V1108	L1027-L1104 HydrophobicContact CD1-CD2 4.35Å; L1027-L1104 HydrophobicContact CD2-CD1 4.23Å; L1027-L1104 HydrophobicContact CD2-CG 4.39Å; I1031-L1104 HydrophobicContact CD1-CB 4.46Å; I1031-L1104 HydrophobicContact CD1-CD2 3.7Å; I1031-L1104 HydrophobicContact CD1-CG 3.91Å; I1031-L1104 HydrophobicContact CG1-CD2 4.18Å; V1044-L1104 HydrophobicContact CG1-CD2 3.67Å; L1078-L1104 HydrophobicContact CD1-CD1 3.53Å; L1082-L1104 HydrophobicContact CD2-CD1 3.98Å; L1082-L1104 HydrophobicContact CD2-CD2 4.43Å; L1082-L1104 HydrophobicContact CG-CD1 4.06Å; L1085-L1104 HydrophobicContact CD2-CD2 4.39Å; F1101-L1104 HydrophobicContact CD1-CD2 4.13Å; F1101-L1104 WeakPolarHBondContact O-CB 3.49Å; F1101-L1104 PolarHBondContact O-N 2.96Å; T1102-L1104 VanDerWaalsContact C-N 3.31Å; T1102-L1104 PolarHBondContact O-N 3.49Å; L1104-S1106 VanDerWaalsContact C-N 3.33Å; L1104-S1106 PolarHBondContact O-N 3.08Å; L1104-S1107 PolarHBondContact O-N 3.17Å; L1104-V1108 VanDerWaalsContact O-CG2 3.28Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.4Å; L1104-V1108 PolarHBondContact O-N 2.93Å
1105	L	88.9	Confident	78.9	Confident	69 Å²	69	65.8 Å²	65.8	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-39.5	174.7	-71.5	168.8	0	0	0	112.3	R1028 I1031 F1101 V1108 K1109	R1028-L1105 HydrophobicContact CG-CD2 4.42Å; I1031-L1105 HydrophobicContact CB-CD2 4.44Å; I1031-L1105 HydrophobicContact CD1-CD2 3.76Å; I1031-L1105 HydrophobicContact CD1-CG 4.1Å; I1031-L1105 HydrophobicContact CG2-CD1 4.25Å; I1031-L1105 HydrophobicContact CG2-CD2 4.17Å; I1031-L1105 HydrophobicContact CG2-CG 4.28Å; F1101-L1105 HydrophobicContact CB-CD1 4.36Å; F1101-L1105 PolarHBondContact O-N 2.82Å; L1105-V1108 PolarHBondContact O-N 3.11Å; L1105-K1109 WeakPolarHBondContact O-CB 3.33Å; L1105-K1109 PolarHBondContact O-N 3.2Å
1106	S	90.8	Very high	80.8	Confident	74 Å²	74	66.5 Å²	66.5	52%	0.517	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-45.5	174.5	-169.2	0	0	0	0	111.7	T1102 K1103 L1104 V1108 K1109 E1110	T1102-S1106 VanDerWaalsContact O-CB 3.27Å; T1102-S1106 WeakPolarHBondContact O-CB 3.31Å; T1102-S1106 PolarHBondContact O-N 3Å; K1103-S1106 PolarHBondContact O-N 3.34Å; L1104-S1106 VanDerWaalsContact C-N 3.33Å; L1104-S1106 PolarHBondContact O-N 3.08Å; S1106-V1108 PolarHBondContact O-N 3.37Å; S1106-K1109 PolarHBondContact O-N 2.87Å; S1106-E1110 PolarHBondContact O-N 2.68Å
1107	S	89.4	Confident	82.4	Confident	7 Å²	7	67.6 Å²	67.6	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-42.8	178.3	-54.2	0	0	0	0	111.7	K1103 L1104 K1109 E1110 I1111	K1103-S1107 PolarHBondContact O-N 2.99Å; K1103-S1107 PolarHBondContact O-OG 3.23Å; L1104-S1107 PolarHBondContact O-N 3.17Å; S1107-K1109 VanDerWaalsContact C-N 3.34Å; S1107-K1109 PolarHBondContact O-N 3.17Å; S1107-E1110 PolarHBondContact O-N 3.47Å; S1107-I1111 WeakPolarHBondContact O-CB 3.34Å; S1107-I1111 WeakPolarHBondContact O-CG1 3.47Å; S1107-I1111 PolarHBondContact O-N 3.45Å
1108	V	91.9	Very high	84.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-35.6	176.2	177.8	0	0	0	0	111.8	A1024 L1027 R1028 L1051 L1078 L1104 L1105 S1106 S1112	A1024-V1108 HydrophobicContact CB-CG1 3.73Å; A1024-V1108 WeakPolarHBondContact O-CG1 3.42Å; L1027-V1108 HydrophobicContact CD2-CG2 3.32Å; L1027-V1108 HydrophobicContact CG-CG2 3.99Å; R1028-V1108 HydrophobicContact CG-CG1 4.01Å; L1051-V1108 HydrophobicContact CD2-CG1 4.37Å; L1051-V1108 HydrophobicContact CD2-CG2 3.99Å; L1078-V1108 HydrophobicContact CD1-CG2 4.29Å; L1104-V1108 VanDerWaalsContact O-CG2 3.28Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.4Å; L1104-V1108 PolarHBondContact O-N 2.93Å; L1105-V1108 PolarHBondContact O-N 3.11Å; S1106-V1108 PolarHBondContact O-N 3.37Å; V1108-S1112 WeakPolarHBondContact O-CB 3.36Å; V1108-S1112 PolarHBondContact O-N 3.47Å; V1108-S1112 PolarHBondContact O-OG 3.25Å
1109	K	90.8	Very high	85.9	Confident	117 Å²	117	60 Å²	60	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-65	-47.7	171.5	-173.8	179	175.6	-176.5	0	111.7	L1105 S1106 S1107 I1111 S1112 D1113	L1105-K1109 WeakPolarHBondContact O-CB 3.33Å; L1105-K1109 PolarHBondContact O-N 3.2Å; S1106-K1109 PolarHBondContact O-N 2.87Å; S1107-K1109 VanDerWaalsContact C-N 3.34Å; S1107-K1109 PolarHBondContact O-N 3.17Å; K1109-I1111 VanDerWaalsContact C-N 3.35Å; K1109-I1111 PolarHBondContact O-N 3.46Å; K1109-S1112 WeakPolarHBondContact O-CB 3.47Å; K1109-S1112 PolarHBondContact O-N 3.04Å; K1109-S1112 VanDerWaalsContact O-N 3.09Å; K1109-D1113 WeakPolarHBondContact CE-OD2 3.49Å; K1109-D1113 WeakPolarHBondContact O-CB 3.45Å; K1109-D1113 VanDerWaalsContact O-CG 3.26Å; K1109-D1113 PolarHBondContact O-N 3.06Å
1110	E	90.8	Very high	87.1	Confident	70 Å²	70	59.2 Å²	59.2	33%	0.327	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-44.1	178.8	-172.1	169.9	-136.7	0	0	112.1	A1074 S1106 S1107 S1112 D1113 I1114	A1074-E1110 HydrophobicContact CB-CB 4.11Å; A1074-E1110 HydrophobicContact CB-CG 3.74Å; S1106-E1110 PolarHBondContact O-N 2.68Å; S1107-E1110 PolarHBondContact O-N 3.47Å; E1110-S1112 PolarHBondContact O-N 3.21Å; E1110-D1113 PolarHBondContact O-N 3.46Å; E1110-I1114 HydrophobicContact CG-CD1 3.84Å; E1110-I1114 WeakPolarHBondContact O-CB 3.2Å; E1110-I1114 WeakPolarHBondContact O-CD1 3.28Å; E1110-I1114 WeakPolarHBondContact O-CG1 3.34Å; E1110-I1114 PolarHBondContact O-N 2.92Å
1111	I	92.3	Very high	88	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-49.6	170.8	-74.8	170	0	0	0	111.2	V1020 L1051 F1071 A1074 L1078 S1107 K1109 I1114 V1115	V1020-I1111 HydrophobicContact CG1-CG2 4.16Å; L1051-I1111 HydrophobicContact CD1-CG2 4.46Å; F1071-I1111 HydrophobicContact CE2-CB 4.45Å; F1071-I1111 HydrophobicContact CE2-CG1 4.45Å; F1071-I1111 HydrophobicContact CE2-CG2 4Å; A1074-I1111 HydrophobicContact CB-CG1 3.75Å; L1078-I1111 HydrophobicContact CB-CD1 3.97Å; L1078-I1111 HydrophobicContact CD2-CD1 3.58Å; L1078-I1111 HydrophobicContact CG-CD1 4.35Å; S1107-I1111 WeakPolarHBondContact O-CB 3.34Å; S1107-I1111 WeakPolarHBondContact O-CG1 3.47Å; S1107-I1111 PolarHBondContact O-N 3.45Å; K1109-I1111 VanDerWaalsContact C-N 3.35Å; K1109-I1111 PolarHBondContact O-N 3.46Å; I1111-I1114 PolarHBondContact O-N 3.2Å; I1111-V1115 VanDerWaalsContact O-CG2 3.26Å; I1111-V1115 WeakPolarHBondContact O-CG2 3.41Å; I1111-V1115 PolarHBondContact O-N 3.26Å
1112	S	91.8	Very high	88.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-49.6	179.4	-55.5	0	0	0	0	111.9	R1028 V1108 K1109 E1110 I1114 V1115 Q1116	R1028-S1112 PolarHBondContact NH2-OG 3.08Å; V1108-S1112 WeakPolarHBondContact O-CB 3.36Å; V1108-S1112 PolarHBondContact O-N 3.47Å; V1108-S1112 PolarHBondContact O-OG 3.25Å; K1109-S1112 WeakPolarHBondContact O-CB 3.47Å; K1109-S1112 PolarHBondContact O-N 3.04Å; K1109-S1112 VanDerWaalsContact O-N 3.09Å; E1110-S1112 PolarHBondContact O-N 3.21Å; S1112-I1114 PolarHBondContact O-N 3.18Å; S1112-V1115 PolarHBondContact O-N 2.8Å; S1112-V1115 VanDerWaalsContact O-N 3.16Å; S1112-Q1116 WeakPolarHBondContact O-CB 3.48Å; S1112-Q1116 VanDerWaalsContact O-CG 3.31Å; S1112-Q1116 WeakPolarHBondContact O-CG 2.98Å; S1112-Q1116 PolarHBondContact O-N 2.92Å
1113	D	88.9	Confident	88.5	Confident	63 Å²	63	55.4 Å²	55.4	34%	0.337	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-25	-177.5	-69	4.5	0	0	0	111.4	K1109 E1110 R1117	K1109-D1113 WeakPolarHBondContact CE-OD2 3.49Å; K1109-D1113 WeakPolarHBondContact O-CB 3.45Å; K1109-D1113 VanDerWaalsContact O-CG 3.26Å; K1109-D1113 PolarHBondContact O-N 3.06Å; E1110-D1113 PolarHBondContact O-N 3.46Å; D1113-R1117 PolarHBondContact O-NE 2.81Å; D1113-R1117 PolarHBondContact O-NH2 2.64Å
1114	I	86.6	Confident	88.8	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-80.3	-39.8	172.5	-67.1	163.8	0	0	0	111.6	A1070 F1071 A1074 E1110 I1111 S1112 R1117	A1070-I1114 HydrophobicContact CB-CD1 3.81Å; A1070-I1114 WeakPolarHBondContact O-CD1 3.13Å; F1071-I1114 HydrophobicContact CB-CG2 4Å; F1071-I1114 HydrophobicContact CD2-CB 4.19Å; F1071-I1114 HydrophobicContact CD2-CG2 3.83Å; F1071-I1114 HydrophobicContact CG-CG2 4.28Å; A1074-I1114 HydrophobicContact CB-CD1 4.2Å; E1110-I1114 HydrophobicContact CG-CD1 3.84Å; E1110-I1114 WeakPolarHBondContact O-CB 3.2Å; E1110-I1114 WeakPolarHBondContact O-CD1 3.28Å; E1110-I1114 WeakPolarHBondContact O-CG1 3.34Å; E1110-I1114 PolarHBondContact O-N 2.92Å; I1111-I1114 PolarHBondContact O-N 3.2Å; S1112-I1114 PolarHBondContact O-N 3.18Å; I1114-R1117 VanDerWaalsContact CG1-NH2 3.27Å; I1114-R1117 PolarHBondContact O-N 3.39Å
1115	V	88	Confident	88.9	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-75.7	-24.9	-179.6	174.6	0	0	0	0	112.3	R1017 V1020 L1021 Y1058 F1071 I1111 S1112 R1117	R1017-V1115 HydrophobicContact CG-CG1 3.49Å; R1017-V1115 VanDerWaalsContact CG-CG1 3.49Å; R1017-V1115 VanDerWaalsContact CZ-O 3.3Å; R1017-V1115 PolarHBondContact NE-O 2.83Å; R1017-V1115 PolarHBondContact NH2-O 3.39Å; V1020-V1115 HydrophobicContact CG1-CG2 3.95Å; L1021-V1115 HydrophobicContact CD1-CG1 4.26Å; L1021-V1115 HydrophobicContact CD2-CB 4.04Å; L1021-V1115 HydrophobicContact CD2-CG1 3.86Å; L1021-V1115 HydrophobicContact CG-CG1 3.83Å; Y1058-V1115 HydrophobicContact CD1-CG2 4.31Å; Y1058-V1115 HydrophobicContact CE1-CG1 4.21Å; Y1058-V1115 HydrophobicContact CE1-CG2 4.05Å; F1071-V1115 HydrophobicContact CD2-CG2 4.19Å; F1071-V1115 HydrophobicContact CE2-CG2 3.36Å; F1071-V1115 HydrophobicContact CZ-CG2 3.78Å; I1111-V1115 VanDerWaalsContact O-CG2 3.26Å; I1111-V1115 WeakPolarHBondContact O-CG2 3.41Å; I1111-V1115 PolarHBondContact O-N 3.26Å; S1112-V1115 PolarHBondContact O-N 2.8Å; S1112-V1115 VanDerWaalsContact O-N 3.16Å; V1115-R1117 VanDerWaalsContact C-N 3.34Å
1116	Q	85.6	Confident	88.9	Confident	116 Å²	116	54 Å²	54	54%	0.542	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.8	172.8	-71.8	-178.3	13.7	0	0	113.9	R1017 L1021 S1112	R1017-Q1116 PolarHBondContact NH2-O 2.96Å; L1021-Q1116 HydrophobicContact CD1-CG 4.3Å; L1021-Q1116 HydrophobicContact CD2-CG 4.02Å; S1112-Q1116 WeakPolarHBondContact O-CB 3.48Å; S1112-Q1116 VanDerWaalsContact O-CG 3.31Å; S1112-Q1116 WeakPolarHBondContact O-CG 2.98Å; S1112-Q1116 PolarHBondContact O-N 2.92Å
1117	R	79.9	Confident	88.7	Confident	192 Å²	192	52.2 Å²	52.2	73%	0.725	23%	0.231	S	C	*	.			trans	-94.3	0	175.8	-81.5	-178.8	-73.1	151.8	-2.5	113.5	D1113 I1114 V1115	D1113-R1117 PolarHBondContact O-NE 2.81Å; D1113-R1117 PolarHBondContact O-NH2 2.64Å; I1114-R1117 VanDerWaalsContact CG1-NH2 3.27Å; I1114-R1117 PolarHBondContact O-N 3.39Å; V1115-R1117 VanDerWaalsContact C-N 3.34Å

Retrieved 1,117 of 1,117 residues in 274.1 ms (Link to these results)

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