A0A024DAK3_HUMAN Loading...

Double-stranded RNA-specific adenosine deaminase

AlphaFold DB , UniProt , Accession A0A024DAK3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 1,226 aa.

						>A0A024DAK3_HUMAN|A0A024DAK3
MNPRQGYSLSGYYTHPFQGYEHRQLRYQQPGPGSSPSSFLLKQIEFLKGQLPEAPVIGKQTPSLPPSLPGLRPRFPVLLASSTRGRQVDIRGVPRGVHLGSQGLQRGFQHPSPRGRSLPQRGVDCLSSHFQELSIYQDQEQRILKFLEELGEGKATTAHDLSGKLGTPKKEINRVLYSLAKKGKLQKEAGTPPLWKIAVSTQAWNQHSGVVRPDGHSQGAPNSDPSLEPEDRNSTSVSEDLLEPFIAVSAQAWNQHSRVVRPDSHSQGSPNSDPGLEPEDSNSTSALEDPLEFLDMAEIKEKICDYLFNVSDSSALNLAKNIGLTKARDINAVLIDMERQGDVYRQGTTPPIWHSTDKKRERMQIKRNTNSVPETAPAAIPETKRNAEFLTCNIPTSNASNNMVTTEKVENGQEPVIKLENRQEARPEPARLKPPVHYNGPSKAGYVDFENGQWATDDIPDDLNSIRAAPGEFRAIMEMPSFYSHGLPRCSPYKKLTECQLKNPVSGLLEYAQFASQTCEFNMIEQSGPPHEPRFKFQVVINGREFPPAEAGSKKVAKQDAAMKAMTILLEEAKAKDSGKSEESSHYSTEKESEKTAESQTPTPSATSFFSGKSPVTTLLECMHKLGNSCEFRLLSKEGPAHEPKFQYCVAVGAQTFPSVSAPSKKVAKQMAAEEAMKALHGEATNSMASDNQPEGMISESLDNLESMMPDKVRKIGELVRYLNTNPVGGLLEYARSHGFAAEFKLVDQSGPPHEPKFVYQAKVGGRWFPAVCAHSKKQGKQEAADAALRVLIGENEKAERMGFTEVTPVTGASLRRTMLLLSRSPEAQPKTLPLTGSTFHDQIAMLSHRCFDTLTNSFQPSLLGRKILAAIIMKKDSEDMGVVVSLGTGNRCVKGDSLSLKGETVNDCHAEIISRRGFIRFLYSELMKYNSQTAKDSIFEPAKGGEKLQIKKAVSFHLYISTAPCGDGALFDKSCSDRAMESTESRHYPVFENPKQGKLRTKVENGEGTIPVESSDIVPTWDGIRLGERLRTMSCSDKILRWNVLGLQGALLTHFLQPIYLKSVTLGYLFSQGHLTRAICCRVTRDGSAFEDGLRHPFIVNHPKVGRVSIYDSKRQSGKTKETSVNWCLADGYDLEILDGTRGTVDGPRNELSRVSKKNIFLLFKKLCSFRYRRDLLRLSYGEAKKAARDYETAKNYFKKGLKDMGYGNWISKPQEEKNFYLCPV
					

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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	33.5	Very low	35.5	Very low	248 Å²	248	139.5 Å²	139.5	100%	1.222	77%	0.765	S	S	*	*				0	149.2	0	-74.6	167.8	164.9	0	0	109
2	N	33.8	Very low	34.8	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	78%	0.776	S	S	*	*			trans	-88.1	175.2	160.3	-128.1	-36.2	0	0	0	107.3
3	P	57.4	Low	34.4	Very low	102 Å²	102	151.7 Å²	151.7	66%	0.662	78%	0.779	S	S	*	*			cis	-150.3	145.2	42.6	39.4	-17.2	0	0	0	119.6
4	R	41.4	Very low	33.9	Very low	201 Å²	201	148.4 Å²	148.4	76%	0.758	77%	0.77	S	S	*	*				63.5	161.4	129.2	-63.7	173.3	-179.5	-170.2	0.4	119.2
5	Q	42.9	Very low	33.9	Very low	160 Å²	160	150.5 Å²	150.5	75%	0.748	77%	0.774	S	S	*	*			cis	-159.2	155.4	-9	-116.6	159.4	-42	0	0	107.2
6	G	31.5	Very low	34.7	Very low	57 Å²	57	148.8 Å²	148.8	59%	0.588	78%	0.776	S	S	*	*			cis	166.3	154.2	-11.1	0	0	0	0	0	113.3
7	Y	33.9	Very low	34.3	Very low	210 Å²	210	151.8 Å²	151.8	82%	0.824	78%	0.782	S	S	*	*			trans	51.3	153.8	146.8	-55.6	-75.3	0	0	0	121.9	L9	Y7-L9 HydrophobicContact CD1-CD1 3.91Å; Y7-L9 HydrophobicContact CE1-CD1 4.21Å
8	S	28.4	Very low	33.9	Very low	106 Å²	106	154.5 Å²	154.5	74%	0.741	79%	0.79	S	S	*	*			cis	-132.1	156	9.8	56.1	0	0	0	0	111
9	L	32.3	Very low	33.5	Very low	145 Å²	145	149.6 Å²	149.6	76%	0.759	78%	0.782	S	S	*	*				61.4	139.1	55.4	-63.1	172.5	0	0	0	114	Y7	Y7-L9 HydrophobicContact CD1-CD1 3.91Å; Y7-L9 HydrophobicContact CE1-CD1 4.21Å
10	S	28.7	Very low	33.2	Very low	100 Å²	100	153.6 Å²	153.6	70%	0.699	79%	0.788	S	S	*	*			cis	-141.7	171.8	4	62.1	0	0	0	0	112.4
11	G	26.9	Very low	32.8	Very low	64 Å²	64	154.9 Å²	154.9	66%	0.66	79%	0.79	S	S	*	*				107.1	140.6	95.9	0	0	0	0	0	110.5
12	Y	27.6	Very low	32.7	Very low	229 Å²	229	151.8 Å²	151.8	90%	0.898	77%	0.773	S	S	*	*			cis	-147.8	-168.2	29.1	-91.6	-89.9	0	0	0	113.6
13	Y	28.8	Very low	32.3	Very low	209 Å²	209	156.1 Å²	156.1	82%	0.82	78%	0.778	S	S	*	*			trans	-119.7	147.2	-159	-109.6	-117	0	0	0	115.9
14	T	27.2	Very low	30.9	Very low	106 Å²	106	158.5 Å²	158.5	65%	0.65	78%	0.781	S	S	*	*			trans	44.4	125.3	145.9	55.4	0	0	0	0	124.7
15	H	33.8	Very low	30.2	Very low	180 Å²	180	155.8 Å²	155.8	83%	0.833	78%	0.781	S	S	*	*				42.4	151.6	123.7	-65.8	-51.3	0	0	0	122.6
16	P	47.2	Very low	29.4	Very low	122 Å²	122	159.4 Å²	159.4	79%	0.792	79%	0.787	S	S	*	*			cis	-151.4	-159.9	44.4	44.6	-21.6	0	0	0	119.1
17	F	27.8	Very low	29.3	Very low	201 Å²	201	167.3 Å²	167.3	88%	0.882	80%	0.801	S	S	*	*			trans	-53.3	145.9	-171.7	-81.2	-107.1	0	0	0	121.4
18	Q	26.9	Very low	29	Very low	200 Å²	200	166 Å²	166	94%	0.935	80%	0.803	S	S	*	*				173.1	157.7	126.8	-96.1	174.1	-5.8	0	0	109.3
19	G	26.2	Very low	29.1	Very low	61 Å²	61	169.8 Å²	169.8	63%	0.629	81%	0.808	S	S	*	*			cis	162.5	116.4	-11.5	0	0	0	0	0	112.7
20	Y	27.3	Very low	29	Very low	229 Å²	229	168.7 Å²	168.7	90%	0.898	81%	0.81	S	S	*	*			trans	63	164.5	178.1	-66.9	-99.8	0	0	0	115.5
21	E	26.2	Very low	29	Very low	181 Å²	181	167.1 Å²	167.1	85%	0.846	81%	0.809	S	S	*	*			cis	-146.9	177.8	6.8	-152.5	172.1	-132	0	0	112.7
22	H	30	Very low	29.5	Very low	183 Å²	183	170.7 Å²	170.7	85%	0.847	82%	0.821	S	S	*	*			trans	-86.4	135.3	177.4	-83	-67.3	0	0	0	114.4
23	R	26.6	Very low	29.5	Very low	233 Å²	233	163 Å²	163	88%	0.879	81%	0.812	S	S	*	*				-162.1	146	129.3	-120.2	172.1	176.4	162.4	1.8	118.4
24	Q	27.6	Very low	30	Very low	151 Å²	151	159.6 Å²	159.6	71%	0.706	82%	0.818	S	S	*	*			trans	-32.2	141.9	173	-69.1	160.4	-40	0	0	121.4
25	L	27.3	Very low	30.4	Very low	145 Å²	145	157.9 Å²	157.9	76%	0.759	81%	0.811	S	S	*	*			trans	53.8	114.7	130.4	-63.1	166	0	0	0	121.1
26	R	25.4	Very low	30.9	Very low	236 Å²	236	154.8 Å²	154.8	89%	0.891	81%	0.807	S	S	*	*				-157	119.9	120.1	-129.3	173.2	-86.2	-163.7	-4.5	112.7
27	Y	28.6	Very low	30.9	Very low	222 Å²	222	152 Å²	152	87%	0.871	79%	0.79	S	S	*	*			trans	-93.1	143.5	161.8	-93.9	-95.9	0	0	0	108.8
28	Q	29.4	Very low	32.2	Very low	184 Å²	184	145.7 Å²	145.7	86%	0.86	77%	0.771	S	S	*	*			trans	-115	149.9	163.6	-82.3	-174	-28	0	0	110.2
29	Q	28.8	Very low	34.2	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	74%	0.741	S	S	*	*			trans	-98.7	153	-172	-61.9	-177.3	-3.2	0	0	112.8
30	P	30.5	Very low	36	Very low	122 Å²	122	141.5 Å²	141.5	79%	0.792	74%	0.737	S	S	*	*			trans	-85.8	149.2	145	2.5	17.3	0	0	0	111.2
31	G	29.6	Very low	38.1	Very low	67 Å²	67	135.2 Å²	135.2	69%	0.691	72%	0.718	S	S	*	*			trans	-74.8	-172.8	-176.4	0	0	0	0	0	116.8
32	P	36.1	Very low	40	Very low	140 Å²	140	131.7 Å²	131.7	91%	0.909	70%	0.7	S	S	*	*			trans	-85.9	128.3	-151.6	31.4	-36.2	0	0	0	115.7
33	G	28.7	Very low	41.8	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	68%	0.678	S	S	*	*			trans	-116.3	128.4	157.6	0	0	0	0	0	110.3	S35	G33-S35 PolarHBondContact O-N 2.77Å
34	S	38.1	Very low	44.1	Very low	136 Å²	136	119.3 Å²	119.3	95%	0.951	65%	0.654	S	S	*	*			trans	-67.9	129.6	-179.7	44.7	0	0	0	0	111.5
35	S	37	Very low	46.1	Very low	71 Å²	71	115.6 Å²	115.6	50%	0.497	64%	0.637	S	S	.	*			trans	-142.9	154.3	179.7	66.5	0	0	0	0	112.5	G33 S37	G33-S35 PolarHBondContact O-N 2.77Å; S35-S37 PolarHBondContact O-N 2.92Å; S35-S37 PolarHBondContact OG-OG 2.6Å
36	P	42.9	Very low	48.5	Very low	115 Å²	115	112.1 Å²	112.1	75%	0.747	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-5.1	-179.8	-23	35	0	0	0	115.7	S38 F39	P36-S38 VanDerWaalsContact C-N 3.3Å; P36-S38 PolarHBondContact O-N 2.94Å; P36-F39 PolarHBondContact O-N 2.74Å
37	S	48.7	Very low	50.3	Low	63 Å²	63	107.4 Å²	107.4	44%	0.441	61%	0.607	S	S	.	*	H	α-helix	trans	-59.3	-36.3	-176.7	58	0	0	0	0	113.6	S35 F39 L40 L41	S35-S37 PolarHBondContact O-N 2.92Å; S35-S37 PolarHBondContact OG-OG 2.6Å; S37-F39 PolarHBondContact O-N 3.19Å; S37-L40 PolarHBondContact O-N 3.48Å; S37-L41 PolarHBondContact O-N 2.93Å
38	S	54.3	Low	52.1	Low	69 Å²	69	103.5 Å²	103.5	48%	0.483	60%	0.595	S	S	.	*	H	α-helix	trans	-62.1	-40.2	-178.3	179.8	0	0	0	0	113.1	P36 K42	P36-S38 VanDerWaalsContact C-N 3.3Å; P36-S38 PolarHBondContact O-N 2.94Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 2.89Å
39	F	69.9	Low	53.6	Low	70 Å²	70	97.9 Å²	97.9	31%	0.307	59%	0.586	S	S	.	*	H	α-helix	trans	-67.1	-43.5	176.3	-174.3	-89.8	0	0	0	111.2	P36 S37 L41 K42 Q43 P55 I57	P36-F39 PolarHBondContact O-N 2.74Å; S37-F39 PolarHBondContact O-N 3.19Å; F39-L41 PolarHBondContact O-N 3.23Å; F39-K42 PolarHBondContact O-N 3.37Å; F39-Q43 WeakPolarHBondContact O-CB 3.47Å; F39-Q43 PolarHBondContact O-N 2.89Å; F39-P55 HydrophobicContact CD2-CB 4.19Å; F39-P55 HydrophobicContact CE2-CB 3.83Å; F39-P55 HydrophobicContact CE2-CG 4.11Å; F39-P55 WeakPolarHBondContact CE2-O 3.47Å; F39-P55 HydrophobicContact CZ-CB 4.4Å; F39-P55 HydrophobicContact CZ-CG 4.21Å; F39-P55 VanDerWaalsContact CZ-O 3.27Å; F39-P55 WeakPolarHBondContact CZ-O 3.37Å; F39-I57 HydrophobicContact CD2-CG1 4.13Å; F39-I57 HydrophobicContact CE2-CD1 4.35Å; F39-I57 HydrophobicContact CE2-CG1 3.51Å; F39-I57 HydrophobicContact CZ-CD1 4.18Å; F39-I57 HydrophobicContact CZ-CG1 3.76Å
40	L	62.6	Low	55.4	Low	103 Å²	103	95.7 Å²	95.7	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-64.9	-38.6	-179.3	-155.9	77.9	0	0	0	112	S37 Q43 I44	S37-L40 PolarHBondContact O-N 3.48Å; L40-Q43 PolarHBondContact O-N 3.16Å; L40-I44 HydrophobicContact CG-CD1 4.44Å; L40-I44 WeakPolarHBondContact O-CD1 3.5Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 3.39Å
41	L	72.6	Confident	57.3	Low	97 Å²	97	92.7 Å²	92.7	51%	0.508	55%	0.553	S	S	.	*	H	α-helix	trans	-61.7	-51.1	173.6	-87.2	161.4	0	0	0	111.8	S37 F39 Q43 I44 E45	S37-L41 PolarHBondContact O-N 2.93Å; F39-L41 PolarHBondContact O-N 3.23Å; L41-Q43 PolarHBondContact O-N 3.39Å; L41-I44 CarbonylContact O-C 3.55Å; L41-I44 WeakPolarHBondContact O-CA 3.31Å; L41-I44 WeakPolarHBondContact O-CB 3.37Å; L41-I44 PolarHBondContact O-N 3.03Å; L41-E45 WeakPolarHBondContact O-CG 3.16Å; L41-E45 PolarHBondContact O-N 2.68Å
42	K	66.4	Low	58.3	Low	107 Å²	107	95.4 Å²	95.4	47%	0.465	56%	0.559	S	S	.	*	H	α-helix	trans	-60.9	-34.5	176.1	-69.4	-175.6	177.5	-166.8	0	112.6	S38 F39 E45 F46 L51 P55	S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 2.89Å; F39-K42 PolarHBondContact O-N 3.37Å; K42-E45 PolarHBondContact O-N 3.34Å; K42-F46 WeakPolarHBondContact O-CB 3.37Å; K42-F46 PolarHBondContact O-N 2.67Å; K42-L51 HydrophobicContact CB-CD1 4.01Å; K42-L51 HydrophobicContact CG-CD1 4.27Å; K42-L51 WeakPolarHBondContact O-CD1 3.45Å; K42-P55 HydrophobicContact CB-CB 4.14Å; K42-P55 HydrophobicContact CB-CG 4.05Å
43	Q	67.7	Low	59.4	Low	81 Å²	81	96.3 Å²	96.3	38%	0.379	55%	0.551	S	S	.	*	H	α-helix	trans	-69	-35.1	175.6	-162.4	172.9	21.7	0	0	111.8	F39 L40 L41 L47 P55	F39-Q43 WeakPolarHBondContact O-CB 3.47Å; F39-Q43 PolarHBondContact O-N 2.89Å; L40-Q43 PolarHBondContact O-N 3.16Å; L41-Q43 PolarHBondContact O-N 3.39Å; Q43-L47 WeakPolarHBondContact O-CB 3.3Å; Q43-L47 WeakPolarHBondContact O-CD1 3.16Å; Q43-L47 WeakPolarHBondContact O-CG 3.49Å; Q43-L47 PolarHBondContact O-N 3.26Å; Q43-P55 HydrophobicContact CB-CG 4.21Å
44	I	74.8	Confident	60.8	Low	75 Å²	75	95.7 Å²	95.7	39%	0.385	54%	0.539	S	S	.	.	H	α-helix	trans	-69.7	-37.6	172.4	-70.7	162.6	0	0	0	111.5	L40 L41 L47 K48	L40-I44 HydrophobicContact CG-CD1 4.44Å; L40-I44 WeakPolarHBondContact O-CD1 3.5Å; L40-I44 VanDerWaalsContact O-CG1 3.26Å; L40-I44 WeakPolarHBondContact O-CG1 3.42Å; L40-I44 PolarHBondContact O-N 3.39Å; L41-I44 CarbonylContact O-C 3.55Å; L41-I44 WeakPolarHBondContact O-CA 3.31Å; L41-I44 WeakPolarHBondContact O-CB 3.37Å; L41-I44 PolarHBondContact O-N 3.03Å; I44-L47 PolarHBondContact O-N 3.02Å; I44-K48 HydrophobicContact CG2-CD 4.24Å; I44-K48 VanDerWaalsContact O-CG 3.27Å; I44-K48 WeakPolarHBondContact O-CG 3.36Å; I44-K48 PolarHBondContact O-N 3.18Å; I44-K48 VanDerWaalsContact O-N 3.11Å
45	E	69.4	Low	61.9	Low	72 Å²	72	90.9 Å²	90.9	34%	0.336	50%	0.504	S	S	.	.	H	α-helix	trans	-70.5	-40.8	177.7	-71.1	162.6	173.6	0	0	111.8	L41 K42 K48 G49 Q50 L51	L41-E45 WeakPolarHBondContact O-CG 3.16Å; L41-E45 PolarHBondContact O-N 2.68Å; K42-E45 PolarHBondContact O-N 3.34Å; E45-K48 PolarHBondContact O-N 2.87Å; E45-G49 PolarHBondContact O-N 3.47Å; E45-Q50 PolarHBondContact O-N 3.47Å; E45-L51 HydrophobicContact CB-CD1 3.89Å; E45-L51 HydrophobicContact CB-CG 4.04Å
46	F	78.1	Confident	63.1	Low	73 Å²	73	93.8 Å²	93.8	32%	0.32	52%	0.519	S	S	.	.	H	α-helix	trans	-60	-46.7	169.1	176.3	-105.2	0	0	0	112	K42 K48 G49 L51 E53 A54	K42-F46 WeakPolarHBondContact O-CB 3.37Å; K42-F46 PolarHBondContact O-N 2.67Å; F46-K48 PolarHBondContact O-N 3.35Å; F46-K48 VanDerWaalsContact O-N 3.13Å; F46-G49 PolarHBondContact O-N 2.77Å; F46-L51 HydrophobicContact CB-CB 4.29Å; F46-L51 WeakPolarHBondContact CD2-O 3.28Å; F46-E53 VanDerWaalsContact CD2-O 3.24Å; F46-E53 WeakPolarHBondContact CD2-O 3.22Å; F46-E53 VanDerWaalsContact CE2-C 3.45Å; F46-A54 HydrophobicContact CD1-CB 4.03Å; F46-A54 HydrophobicContact CD2-CB 4.37Å; F46-A54 HydrophobicContact CE1-CB 3.75Å; F46-A54 HydrophobicContact CE2-CB 4.13Å; F46-A54 HydrophobicContact CG-CB 4.33Å; F46-A54 HydrophobicContact CZ-CB 3.81Å
47	L	62.3	Low	63.5	Low	137 Å²	137	94.8 Å²	94.8	72%	0.717	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-10.5	176.4	-72.3	170.6	0	0	0	114.2	Q43 I44	Q43-L47 WeakPolarHBondContact O-CB 3.3Å; Q43-L47 WeakPolarHBondContact O-CD1 3.16Å; Q43-L47 WeakPolarHBondContact O-CG 3.49Å; Q43-L47 PolarHBondContact O-N 3.26Å; I44-L47 PolarHBondContact O-N 3.02Å
48	K	66.9	Low	63.2	Low	139 Å²	139	94.9 Å²	94.9	60%	0.604	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.9	169.5	-73	169.6	178.3	179.3	0	113.3	I44 E45 F46 Q50	I44-K48 HydrophobicContact CG2-CD 4.24Å; I44-K48 VanDerWaalsContact O-CG 3.27Å; I44-K48 WeakPolarHBondContact O-CG 3.36Å; I44-K48 PolarHBondContact O-N 3.18Å; I44-K48 VanDerWaalsContact O-N 3.11Å; E45-K48 PolarHBondContact O-N 2.87Å; F46-K48 PolarHBondContact O-N 3.35Å; F46-K48 VanDerWaalsContact O-N 3.13Å; K48-Q50 HydrophobicContact CB-CG 4.09Å; K48-Q50 PolarHBondContact O-N 2.75Å
49	G	60	Low	62.4	Low	66 Å²	66	101.8 Å²	101.8	68%	0.68	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	16.1	-173.4	0	0	0	0	0	114.2	E45 F46	E45-G49 PolarHBondContact O-N 3.47Å; F46-G49 PolarHBondContact O-N 2.77Å
50	Q	67	Low	60.6	Low	139 Å²	139	107.6 Å²	107.6	65%	0.65	58%	0.577	S	S	*	*	S	Bend	trans	-93.1	-7.9	-178.8	-64.5	-175	-45.5	0	0	113.1	E45 K48	E45-Q50 PolarHBondContact O-N 3.47Å; K48-Q50 HydrophobicContact CB-CG 4.09Å; K48-Q50 PolarHBondContact O-N 2.75Å
51	L	69.6	Low	59.1	Low	58 Å²	58	108.9 Å²	108.9	30%	0.304	59%	0.589	S	S	.	*	S	Bend	trans	-121.8	138.5	163.6	-66.4	172.8	0	0	0	108.3	K42 E45 F46 E53	K42-L51 HydrophobicContact CB-CD1 4.01Å; K42-L51 HydrophobicContact CG-CD1 4.27Å; K42-L51 WeakPolarHBondContact O-CD1 3.45Å; E45-L51 HydrophobicContact CB-CD1 3.89Å; E45-L51 HydrophobicContact CB-CG 4.04Å; F46-L51 HydrophobicContact CB-CB 4.29Å; F46-L51 WeakPolarHBondContact CD2-O 3.28Å; L51-E53 VanDerWaalsContact C-N 3.33Å
52	P	51.9	Low	57.3	Low	125 Å²	125	110.6 Å²	110.6	81%	0.812	61%	0.606	S	S	*	*	S	Bend	trans	-74.9	-22.2	-178.2	30	-35.4	0	0	0	113.3
53	E	59.3	Low	55.5	Low	159 Å²	159	111 Å²	111	74%	0.743	62%	0.623	S	S	*	*	S	Bend	trans	-130.5	148.8	-174	-65.6	-175	172	0	0	112.3	F46 L51	F46-E53 VanDerWaalsContact CD2-O 3.24Å; F46-E53 WeakPolarHBondContact CD2-O 3.22Å; F46-E53 VanDerWaalsContact CE2-C 3.45Å; L51-E53 VanDerWaalsContact C-N 3.33Å
54	A	56.5	Low	53.8	Low	55 Å²	55	115.1 Å²	115.1	46%	0.455	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-75.7	133.3	-179.1	0	0	0	0	0	111.2	F46 V56	F46-A54 HydrophobicContact CD1-CB 4.03Å; F46-A54 HydrophobicContact CD2-CB 4.37Å; F46-A54 HydrophobicContact CE1-CB 3.75Å; F46-A54 HydrophobicContact CE2-CB 4.13Å; F46-A54 HydrophobicContact CG-CB 4.33Å; F46-A54 HydrophobicContact CZ-CB 3.81Å; A54-V56 PolarHBondContact O-N 3.48Å
55	P	63.1	Low	52.1	Low	34 Å²	34	116.7 Å²	116.7	22%	0.221	66%	0.662	C	S	.	*	P	Polyproline II helix	trans	-66.4	125.6	179.7	26.7	-34.3	0	0	0	111.5	F39 K42 Q43	F39-P55 HydrophobicContact CD2-CB 4.19Å; F39-P55 HydrophobicContact CE2-CB 3.83Å; F39-P55 HydrophobicContact CE2-CG 4.11Å; F39-P55 WeakPolarHBondContact CE2-O 3.47Å; F39-P55 HydrophobicContact CZ-CB 4.4Å; F39-P55 HydrophobicContact CZ-CG 4.21Å; F39-P55 VanDerWaalsContact CZ-O 3.27Å; F39-P55 WeakPolarHBondContact CZ-O 3.37Å; K42-P55 HydrophobicContact CB-CB 4.14Å; K42-P55 HydrophobicContact CB-CG 4.05Å; Q43-P55 HydrophobicContact CB-CG 4.21Å
56	V	61.9	Low	50.3	Low	133 Å²	133	119.6 Å²	119.6	81%	0.806	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-98.9	140.4	-179.9	-174	0	0	0	0	111	A54 G58	A54-V56 PolarHBondContact O-N 3.48Å; V56-G58 PolarHBondContact O-N 3.28Å
57	I	51	Low	48	Very low	136 Å²	136	121.6 Å²	121.6	70%	0.697	71%	0.709	S	S	*	*			trans	-81.1	98.4	177.4	-58	177	0	0	0	109.6	F39	F39-I57 HydrophobicContact CD2-CG1 4.13Å; F39-I57 HydrophobicContact CE2-CD1 4.35Å; F39-I57 HydrophobicContact CE2-CG1 3.51Å; F39-I57 HydrophobicContact CZ-CD1 4.18Å; F39-I57 HydrophobicContact CZ-CG1 3.76Å
58	G	42	Very low	46.5	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.8	128.7	175.1	0	0	0	0	0	112.7	V56	V56-G58 PolarHBondContact O-N 3.28Å
59	K	37.7	Very low	45.2	Very low	213 Å²	213	122.4 Å²	122.4	93%	0.926	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.1	168.7	-66.7	176.2	-178.6	172.6	0	109.2
60	Q	32.3	Very low	43.8	Very low	192 Å²	192	122.6 Å²	122.6	90%	0.897	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-90.9	129.5	167.4	-73.4	-172.7	-14.2	0	0	110.8
61	T	31.4	Very low	41.9	Very low	131 Å²	131	124.8 Å²	124.8	80%	0.804	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-72.7	146	162.3	28	0	0	0	0	110.2	S63	T61-S63 PolarHBondContact O-N 2.96Å
62	P	33.7	Very low	39.8	Very low	132 Å²	132	133.2 Å²	133.2	86%	0.857	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-76.4	123.7	-175.7	29.8	-34	0	0	0	111.9
63	S	29.7	Very low	39.6	Very low	117 Å²	117	131.9 Å²	131.9	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-88	154	167.7	49.5	0	0	0	0	111.7	T61	T61-S63 PolarHBondContact O-N 2.96Å
64	L	31.9	Very low	38.1	Very low	167 Å²	167	135 Å²	135	87%	0.874	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-77.3	149.2	-179.9	-76.2	158.3	0	0	0	111.9
65	P	38.2	Very low	36.5	Very low	108 Å²	108	141.5 Å²	141.5	70%	0.701	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.2	147.8	176.6	31.9	-35	0	0	0	112.1
66	P	32.7	Very low	35.6	Very low	133 Å²	133	145.7 Å²	145.7	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.7	153	175.6	31.8	-35.3	0	0	0	112.2
67	S	28.9	Very low	34	Very low	114 Å²	114	145 Å²	145	80%	0.797	81%	0.81	S	S	*	*			trans	-124.4	145.5	178.1	57.6	0	0	0	0	111.8
68	L	31.1	Very low	32.9	Very low	170 Å²	170	145.6 Å²	145.6	89%	0.89	81%	0.814	S	S	*	*			trans	-144.9	160.2	171.5	-91.2	178.9	0	0	0	109.1
69	P	39.8	Very low	32.2	Very low	123 Å²	123	150 Å²	150	80%	0.799	82%	0.821	S	S	*	*				-119.1	169.4	-115.2	41.6	-35.5	0	0	0	115.6
70	G	29.2	Very low	31.7	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	81%	0.809	S	S	*	*			trans	-178.1	67.9	176	0	0	0	0	0	118
71	L	28.7	Very low	31.5	Very low	184 Å²	184	139.8 Å²	139.8	96%	0.963	80%	0.803	S	S	*	*			trans	64	170.3	156.1	-63	170.5	0	0	0	120.2
72	R	24.4	Very low	31.3	Very low	235 Å²	235	138.7 Å²	138.7	89%	0.887	80%	0.8	S	S	*	*			trans	-165	-177	-161.2	-119.5	-174.7	-177	-166.8	4.3	107.2
73	P	47.4	Very low	31	Very low	98 Å²	98	139.3 Å²	139.3	64%	0.636	80%	0.802	S	S	*	*			cis	-140.3	-172.4	-14.8	26.9	-1.4	0	0	0	115.6
74	R	27.6	Very low	31.2	Very low	224 Å²	224	145.8 Å²	145.8	85%	0.845	81%	0.809	S	S	*	*			trans	113.2	105.4	144.2	-61.6	-169.9	171.4	168.7	-1.8	120.5
75	F	23.5	Very low	30.9	Very low	191 Å²	191	141.5 Å²	141.5	84%	0.838	81%	0.805	S	S	*	*				19.5	145.7	119.8	-61.3	-68.7	0	0	0	120.3
76	P	44.1	Very low	30.5	Very low	123 Å²	123	147.9 Å²	147.9	80%	0.799	82%	0.815	S	S	*	*				-149.4	-165.2	54.9	43.5	-22.7	0	0	0	115.8
77	V	28.5	Very low	30.4	Very low	117 Å²	117	150.1 Å²	150.1	71%	0.709	81%	0.814	S	S	*	*			cis	-164.8	138.1	-39.7	146.4	0	0	0	0	111.6
78	L	28.6	Very low	30.4	Very low	149 Å²	149	149.8 Å²	149.8	78%	0.78	81%	0.807	S	S	*	*			trans	47.9	145.6	152	-69.9	171.5	0	0	0	127.3
79	L	27.5	Very low	30.4	Very low	157 Å²	157	148.3 Å²	148.3	82%	0.822	80%	0.799	S	S	*	*			trans	90.1	138.5	131.4	-84.2	166.5	0	0	0	127
80	A	26.8	Very low	29.9	Very low	81 Å²	81	150.5 Å²	150.5	67%	0.669	80%	0.803	S	S	*	*			trans	83.4	95.8	135.4	0	0	0	0	0	125.7
81	S	27.4	Very low	29.8	Very low	111 Å²	111	158.7 Å²	158.7	78%	0.776	81%	0.812	S	S	*	*				37.3	128.2	122.2	63.5	0	0	0	0	126.4
82	S	28.1	Very low	29.8	Very low	107 Å²	107	153 Å²	153	75%	0.748	80%	0.798	S	S	*	*				70.1	130.3	128.8	-164.3	0	0	0	0	123.4
83	T	26.9	Very low	29.9	Very low	145 Å²	145	148.5 Å²	148.5	89%	0.89	80%	0.796	S	S	*	*				179.4	179.8	118.7	29	0	0	0	0	113.7
84	R	35	Very low	30.2	Very low	254 Å²	254	148.4 Å²	148.4	96%	0.958	80%	0.795	S	S	*	*			trans	-109.7	163.3	-172.6	-72.7	174.4	165.7	171.8	-5	113.8
85	G	24.2	Very low	30.3	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	80%	0.799	S	S	*	*			trans	-151.1	161.3	163.1	0	0	0	0	0	113.1
86	R	30.7	Very low	30.5	Very low	241 Å²	241	143.7 Å²	143.7	91%	0.909	79%	0.794	S	S	*	*			trans	-160	178.4	-174.1	-147	-175.1	-172.2	-155.2	3	112.2
87	Q	29.9	Very low	29.7	Very low	180 Å²	180	144.5 Å²	144.5	84%	0.841	80%	0.796	S	S	*	*			trans	78.2	156.4	171	-66.9	-173.7	-90.7	0	0	116.8
88	V	29.7	Very low	29.7	Very low	108 Å²	108	147.5 Å²	147.5	66%	0.655	80%	0.802	S	S	*	*			cis	-151.6	175.6	-1.9	109.5	0	0	0	0	114
89	D	31.3	Very low	29.7	Very low	138 Å²	138	149 Å²	149	74%	0.738	81%	0.81	S	S	*	*			trans	-63.8	-178.5	-170.8	-38.8	-60.2	0	0	0	120.6
90	I	27.5	Very low	29.6	Very low	169 Å²	169	144.9 Å²	144.9	87%	0.867	81%	0.806	S	S	*	*				-175.4	159.9	125	-93.5	158	0	0	0	114.1
91	R	28.6	Very low	29.9	Very low	243 Å²	243	146.3 Å²	146.3	92%	0.917	81%	0.811	S	S	*	*			trans	-107.3	169.2	179.3	-67.8	170.9	165.6	173.3	-5.5	111.9
92	G	28.4	Very low	30	Very low	66 Å²	66	150.3 Å²	150.3	68%	0.68	82%	0.817	S	S	*	*			cis	151.4	179.1	-4.1	0	0	0	0	0	113.3
93	V	25.7	Very low	30	Very low	140 Å²	140	148.7 Å²	148.7	85%	0.848	82%	0.817	S	S	*	*			trans	78.2	148.7	149.8	165.3	0	0	0	0	119
94	P	53.8	Low	30	Very low	95 Å²	95	149.4 Å²	149.4	62%	0.617	82%	0.815	S	S	*	*			cis	-152.7	-170.7	-26.7	46.4	-26.4	0	0	0	120.2
95	R	31.1	Very low	29.6	Very low	247 Å²	247	144.6 Å²	144.6	93%	0.932	80%	0.803	S	S	*	*			trans	72.8	140.6	158.6	-61.8	174.6	-158.6	-97.9	2.1	118.5
96	G	27.7	Very low	29.7	Very low	70 Å²	70	152.1 Å²	152.1	72%	0.722	81%	0.808	S	S	*	*			cis	-172.8	-168.7	0.1	0	0	0	0	0	109.7
97	V	27.3	Very low	29.3	Very low	140 Å²	140	144.1 Å²	144.1	85%	0.848	80%	0.8	S	S	*	*			cis	-142.9	-122.4	-0.9	-163.6	0	0	0	0	110.5
98	H	27.3	Very low	29.2	Very low	179 Å²	179	146 Å²	146	83%	0.829	81%	0.806	S	S	*	*			trans	-152.8	143.9	-170.6	-87	-70.2	0	0	0	118.3
99	L	28.3	Very low	28.9	Very low	180 Å²	180	150 Å²	150	94%	0.942	82%	0.817	S	S	*	*			trans	162.9	158.6	135	-87.5	162.6	0	0	0	109.3
100	G	25.4	Very low	29	Very low	72 Å²	72	152.1 Å²	152.1	74%	0.742	82%	0.822	S	S	*	*			cis	-161.8	-174.3	-3.6	0	0	0	0	0	113.6
101	S	33.1	Very low	29.7	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	82%	0.817	S	S	*	*			trans	-78	138	-168.3	51.7	0	0	0	0	119.1
102	Q	30	Very low	29.7	Very low	196 Å²	196	143.3 Å²	143.3	92%	0.916	81%	0.81	S	S	*	*				163.2	147.9	113.7	-87	-165.5	24.1	0	0	114.7
103	G	27.6	Very low	30.9	Very low	72 Å²	72	145.5 Å²	145.5	74%	0.742	81%	0.812	S	S	*	*			trans	94.5	91.1	139.5	0	0	0	0	0	124.4
104	L	26.9	Very low	31.1	Very low	160 Å²	160	150.8 Å²	150.8	84%	0.838	82%	0.817	S	S	*	*			trans	48.4	126.4	143	-91.4	81.7	0	0	0	126.5
105	Q	27.8	Very low	29.8	Very low	153 Å²	153	149.9 Å²	149.9	72%	0.715	83%	0.825	S	S	*	*			trans	68	140.6	131.6	-77.8	-155.9	35.8	0	0	127
106	R	25.3	Very low	29.7	Very low	236 Å²	236	149.8 Å²	149.8	89%	0.891	83%	0.825	S	S	*	*			trans	71.7	131.7	149.8	-80.6	-177.1	175.5	-150.2	-2	121.8
107	G	23.6	Very low	29.6	Very low	72 Å²	72	152 Å²	152	74%	0.742	83%	0.829	S	S	*	*			trans	147.1	113.2	152.8	0	0	0	0	0	115.9
108	F	26.7	Very low	29.9	Very low	221 Å²	221	153.1 Å²	153.1	97%	0.969	83%	0.829	S	S	*	*			trans	-77.1	162.7	-179.1	-79.8	-95.7	0	0	0	114.6
109	Q	23.8	Very low	31.1	Very low	190 Å²	190	150 Å²	150	89%	0.888	83%	0.825	S	S	*	*			trans	-131.2	154.9	175.8	-68.7	-173.8	-17.9	0	0	114.1
110	H	34.3	Very low	30.9	Very low	183 Å²	183	150.9 Å²	150.9	85%	0.847	82%	0.824	S	S	*	*			trans	-82.7	-173.1	160.8	-81.1	-74.9	0	0	0	110
111	P	42.1	Very low	31.4	Very low	118 Å²	118	159 Å²	159	77%	0.766	83%	0.833	S	S	*	*			cis	-148.1	-131.9	20.6	44.8	-20	0	0	0	116.2
112	S	27.9	Very low	31.2	Very low	110 Å²	110	156.9 Å²	156.9	77%	0.769	83%	0.828	S	S	*	*			trans	-149.6	-171.1	178.5	-50.1	0	0	0	0	108.2
113	P	53.5	Low	31.2	Very low	112 Å²	112	154.2 Å²	154.2	73%	0.727	82%	0.824	S	S	*	*			cis	-143.1	-170.2	-2.1	39.8	-17.7	0	0	0	117.5
114	R	30.6	Very low	31.3	Very low	251 Å²	251	156.9 Å²	156.9	95%	0.947	82%	0.822	S	S	*	*			trans	84.2	132.2	159.4	-65.9	-178.5	176.2	-151.2	-0.4	121.4
115	G	25.2	Very low	31.6	Very low	76 Å²	76	154.3 Å²	154.3	78%	0.784	82%	0.816	S	S	*	*			trans	172.7	41.4	168.1	0	0	0	0	0	124.6
116	R	29.1	Very low	31.9	Very low	245 Å²	245	153.6 Å²	153.6	93%	0.925	82%	0.816	S	S	*	*			trans	50.1	145.5	160.6	-75.6	-168.1	175.3	-165.4	0.8	124.3
117	S	26.5	Very low	32.3	Very low	116 Å²	116	145 Å²	145	81%	0.811	79%	0.792	S	S	*	*			trans	91.5	148.6	149.7	-2.5	0	0	0	0	122.4
118	L	32.6	Very low	32.7	Very low	164 Å²	164	144.3 Å²	144.3	86%	0.859	78%	0.776	S	S	*	*			trans	-147.3	177	-178.1	-92.9	169.5	0	0	0	106.9
119	P	52.5	Low	33.2	Very low	112 Å²	112	139.4 Å²	139.4	73%	0.727	76%	0.756	S	S	*	*			cis	-140.1	168.3	13.9	42.1	-24.6	0	0	0	117.8
120	Q	25.1	Very low	33.7	Very low	199 Å²	199	137.8 Å²	137.8	93%	0.93	75%	0.747	S	S	*	*			trans	-154.1	-178.7	133.7	-117.3	-174.9	42.2	0	0	111.6
121	R	35	Very low	33.8	Very low	244 Å²	244	134.8 Å²	134.8	92%	0.921	73%	0.733	S	S	*	*			trans	-141.3	122	-163.2	177.5	-152.2	-87.4	-165.2	-4.9	113.4
122	G	29.9	Very low	33.7	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	72%	0.721	S	S	*	*			trans	124.5	154.2	141.3	0	0	0	0	0	117.4
123	V	29.2	Very low	34.2	Very low	139 Å²	139	134.7 Å²	134.7	84%	0.842	71%	0.713	S	S	*	*			trans	66.8	91.2	169.7	-166.3	0	0	0	0	115.8
124	D	29.8	Very low	33.9	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	70%	0.7	S	S	*	*			trans	-150.9	69.3	162.6	-126.1	-31.8	0	0	0	112.4	S127	D124-S127 VanDerWaalsContact OD1-CB 3.25Å; D124-S127 WeakPolarHBondContact OD1-CB 3.43Å
125	C	32.7	Very low	35	Very low	106 Å²	106	125.3 Å²	125.3	72%	0.716	68%	0.68	S	S	*	*	S	Bend	trans	-118.2	12.9	173.2	-63.3	0	0	0	0	113
126	L	34.4	Very low	36.4	Very low	137 Å²	137	126.3 Å²	126.3	72%	0.717	66%	0.66	S	S	*	*	S	Bend	trans	-111.6	-23.5	177	-66.7	173.6	0	0	0	112.3
127	S	33	Very low	37.7	Very low	56 Å²	56	120.7 Å²	120.7	39%	0.392	65%	0.645	S	S	.	*	H	α-helix	trans	-64.8	-37.4	177.2	-174.7	0	0	0	0	113	D124 H129 F130 Q131	D124-S127 VanDerWaalsContact OD1-CB 3.25Å; D124-S127 WeakPolarHBondContact OD1-CB 3.43Å; S127-H129 PolarHBondContact O-N 3.28Å; S127-F130 WeakPolarHBondContact O-CB 3.46Å; S127-F130 PolarHBondContact O-N 2.86Å; S127-Q131 PolarHBondContact O-N 3.44Å
128	S	33.8	Very low	39.9	Very low	58 Å²	58	118 Å²	118	41%	0.406	62%	0.621	S	S	.	*	H	α-helix	trans	-62.3	-41.5	-178.3	51	0	0	0	0	113.9	F130 Q131 E132	S128-F130 VanDerWaalsContact C-N 3.32Å; S128-F130 PolarHBondContact O-N 3.33Å; S128-Q131 WeakPolarHBondContact O-CB 3.39Å; S128-Q131 PolarHBondContact O-N 3.41Å; S128-Q131 VanDerWaalsContact O-N 3.17Å; S128-E132 PolarHBondContact O-N 2.91Å
129	H	36.7	Very low	41.8	Very low	118 Å²	118	111.8 Å²	111.8	55%	0.546	59%	0.588	S	S	.	*	H	α-helix	trans	-71.4	-25.8	177.1	-74.8	-31.2	0	0	0	112.9	S127 E132 L133	S127-H129 PolarHBondContact O-N 3.28Å; H129-E132 IonicContact CE1-OE2 2.75Å; H129-E132 PolarHBondContact CE1-OE2 2.99Å; H129-E132 IonicContact CG-OE2 2.7Å; H129-E132 IonicContact ND1-OE2 2.69Å; H129-E132 PolarHBondContact ND1-OE2 3.24Å; H129-L133 WeakPolarHBondContact O-CB 3.17Å; H129-L133 WeakPolarHBondContact O-CG 3.49Å; H129-L133 PolarHBondContact O-N 2.92Å; H129-L133 VanDerWaalsContact O-N 3.13Å
130	F	33.6	Very low	43.3	Very low	156 Å²	156	107.7 Å²	107.7	68%	0.684	56%	0.559	S	S	*	*	H	α-helix	trans	-69.3	-36.7	167.9	-96.6	-86.9	0	0	0	112.1	S127 S128 S134	S127-F130 WeakPolarHBondContact O-CB 3.46Å; S127-F130 PolarHBondContact O-N 2.86Å; S128-F130 VanDerWaalsContact C-N 3.32Å; S128-F130 PolarHBondContact O-N 3.33Å; F130-S134 PolarHBondContact O-N 3.38Å; F130-S134 PolarHBondContact O-OG 2.85Å
131	Q	37.2	Very low	45.9	Very low	119 Å²	119	104.4 Å²	104.4	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-42.7	173.2	-70.4	-177.3	-22.1	0	0	112.4	S127 S128 L133 S134 I135	S127-Q131 PolarHBondContact O-N 3.44Å; S128-Q131 WeakPolarHBondContact O-CB 3.39Å; S128-Q131 PolarHBondContact O-N 3.41Å; S128-Q131 VanDerWaalsContact O-N 3.17Å; Q131-L133 VanDerWaalsContact C-N 3.33Å; Q131-L133 PolarHBondContact O-N 3.31Å; Q131-S134 PolarHBondContact O-N 3.2Å; Q131-S134 PolarHBondContact O-OG 3.26Å; Q131-S134 VanDerWaalsContact O-OG 3.07Å; Q131-I135 WeakPolarHBondContact O-CB 3.35Å; Q131-I135 WeakPolarHBondContact O-CD1 3.4Å; Q131-I135 WeakPolarHBondContact O-CG1 3.31Å; Q131-I135 PolarHBondContact O-N 3.33Å
132	E	40.1	Very low	48.2	Very low	112 Å²	112	98.9 Å²	98.9	52%	0.523	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-41.1	175	-72.9	-176.4	118.8	0	0	112.3	S128 H129 Y136	S128-E132 PolarHBondContact O-N 2.91Å; H129-E132 IonicContact CE1-OE2 2.75Å; H129-E132 PolarHBondContact CE1-OE2 2.99Å; H129-E132 IonicContact CG-OE2 2.7Å; H129-E132 IonicContact ND1-OE2 2.69Å; H129-E132 PolarHBondContact ND1-OE2 3.24Å; E132-Y136 WeakPolarHBondContact O-CD2 3.1Å; E132-Y136 PolarHBondContact O-N 2.87Å; E132-Y136 VanDerWaalsContact O-N 3.15Å
133	L	38.5	Very low	50.8	Low	114 Å²	114	95.8 Å²	95.8	60%	0.597	49%	0.491	S	S	*	.	H	α-helix	trans	-64.4	-45.4	176.4	-76.7	168.3	0	0	0	112.2	H129 Q131 Y136 Q137	H129-L133 WeakPolarHBondContact O-CB 3.17Å; H129-L133 WeakPolarHBondContact O-CG 3.49Å; H129-L133 PolarHBondContact O-N 2.92Å; H129-L133 VanDerWaalsContact O-N 3.13Å; Q131-L133 VanDerWaalsContact C-N 3.33Å; Q131-L133 PolarHBondContact O-N 3.31Å; L133-Y136 PolarHBondContact O-N 2.92Å; L133-Q137 WeakPolarHBondContact O-CB 3.35Å; L133-Q137 PolarHBondContact O-N 3.49Å; L133-Q137 VanDerWaalsContact O-N 3.07Å
134	S	45.9	Very low	53.4	Low	65 Å²	65	90.3 Å²	90.3	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-67.5	-37.7	-179.4	63.2	0	0	0	0	112.8	F130 Q131 Y136 Q137 D138	F130-S134 PolarHBondContact O-N 3.38Å; F130-S134 PolarHBondContact O-OG 2.85Å; Q131-S134 PolarHBondContact O-N 3.2Å; Q131-S134 PolarHBondContact O-OG 3.26Å; Q131-S134 VanDerWaalsContact O-OG 3.07Å; S134-Y136 PolarHBondContact O-N 2.84Å; S134-Q137 PolarHBondContact O-N 3.17Å; S134-D138 PolarHBondContact O-N 2.85Å
135	I	53.7	Low	55.9	Low	102 Å²	102	89.8 Å²	89.8	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-41.4	174	-67.3	164.2	0	0	0	111.2	Q131 Q137 Q139	Q131-I135 WeakPolarHBondContact O-CB 3.35Å; Q131-I135 WeakPolarHBondContact O-CD1 3.4Å; Q131-I135 WeakPolarHBondContact O-CG1 3.31Å; Q131-I135 PolarHBondContact O-N 3.33Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3.01Å; I135-Q139 WeakPolarHBondContact O-CG 3.46Å; I135-Q139 PolarHBondContact O-N 3.48Å
136	Y	54.5	Low	58.4	Low	96 Å²	96	86 Å²	86	38%	0.376	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-32.5	175.3	-98.4	-83.5	0	0	0	113.1	E132 L133 S134 E140 R174 V175	E132-Y136 WeakPolarHBondContact O-CD2 3.1Å; E132-Y136 PolarHBondContact O-N 2.87Å; E132-Y136 VanDerWaalsContact O-N 3.15Å; L133-Y136 PolarHBondContact O-N 2.92Å; S134-Y136 PolarHBondContact O-N 2.84Å; Y136-E140 PolarHBondContact O-N 2.85Å; Y136-E140 VanDerWaalsContact O-N 3.1Å; Y136-R174 PolarHBondContact OH-NH1 2.99Å; Y136-V175 HydrophobicContact CE1-CG2 4.38Å
137	Q	58.1	Low	60.7	Low	128 Å²	128	79.9 Å²	79.9	60%	0.598	39%	0.387	S	S	*	.	H	α-helix	trans	-76	-38.4	-178.1	-152.8	164.1	5.2	0	0	112.1	L133 S134 I135 E140 Q141	L133-Q137 WeakPolarHBondContact O-CB 3.35Å; L133-Q137 PolarHBondContact O-N 3.49Å; L133-Q137 VanDerWaalsContact O-N 3.07Å; S134-Q137 PolarHBondContact O-N 3.17Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3.01Å; Q137-E140 PolarHBondContact O-N 3.06Å; Q137-Q141 PolarHBondContact O-N 2.98Å; Q137-Q141 VanDerWaalsContact O-N 3.11Å
138	D	70.8	Confident	62.9	Low	58 Å²	58	83 Å²	83	31%	0.31	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-45.3	170.1	170.2	56.5	0	0	0	111.8	S134 E140 Q141 R142	S134-D138 PolarHBondContact O-N 2.85Å; D138-E140 PolarHBondContact O-N 3.32Å; D138-Q141 PolarHBondContact O-N 2.95Å; D138-R142 VanDerWaalsContact CG-NH2 3.28Å; D138-R142 WeakPolarHBondContact O-CG 3.39Å; D138-R142 PolarHBondContact O-N 3.38Å; D138-R142 IonicContact OD1-CZ 3.95Å; D138-R142 VanDerWaalsContact OD1-CZ 3.29Å; D138-R142 IonicContact OD1-NE 3.19Å; D138-R142 PolarHBondContact OD1-NE 2.91Å; D138-R142 IonicContact OD1-NH2 3.97Å; D138-R142 PolarHBondContact OD1-NH2 2.8Å; D138-R142 IonicContact OD2-CZ 2.68Å; D138-R142 IonicContact OD2-NE 3.64Å; D138-R142 PolarHBondContact OD2-NE 3.37Å; D138-R142 VanDerWaalsContact OD2-NE 3.09Å; D138-R142 IonicContact OD2-NH2 2.87Å; D138-R142 PolarHBondContact OD2-NH2 3.05Å
139	Q	73.4	Confident	65	Low	35 Å²	35	86 Å²	86	16%	0.164	40%	0.404	C	S	.	.	H	α-helix	trans	-65.4	-35.1	176	-69.5	-69.2	-43.8	0	0	113.3	I135 I143 T167	I135-Q139 WeakPolarHBondContact O-CG 3.46Å; I135-Q139 PolarHBondContact O-N 3.48Å; Q139-I143 WeakPolarHBondContact O-CG1 3.26Å; Q139-I143 PolarHBondContact O-N 3.13Å; Q139-T167 PolarHBondContact OE1-OG1 2.82Å
140	E	83.4	Confident	66.9	Low	26 Å²	26	82.3 Å²	82.3	12%	0.121	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-43.3	173	-171.5	171.3	135.4	0	0	111.5	Y136 Q137 D138 L144 V175 L179 K182 K184	Y136-E140 PolarHBondContact O-N 2.85Å; Y136-E140 VanDerWaalsContact O-N 3.1Å; Q137-E140 PolarHBondContact O-N 3.06Å; D138-E140 PolarHBondContact O-N 3.32Å; E140-L144 HydrophobicContact CG-CD1 4.25Å; E140-L144 WeakPolarHBondContact O-CG 3.23Å; E140-L144 PolarHBondContact O-N 3.04Å; E140-V175 HydrophobicContact CB-CG1 4.38Å; E140-L179 HydrophobicContact CG-CD1 4.23Å; E140-L179 HydrophobicContact CG-CD2 3.47Å; E140-L179 VanDerWaalsContact CG-CD2 3.47Å; E140-L179 HydrophobicContact CG-CG 3.98Å; E140-K182 IonicContact OE1-NZ 3.86Å; E140-K182 PolarHBondContact OE1-NZ 3.5Å; E140-K182 IonicContact OE2-NZ 3.64Å; E140-K182 PolarHBondContact OE2-NZ 3.13Å; E140-K184 IonicContact OE1-NZ 2.73Å; E140-K184 PolarHBondContact OE1-NZ 2.99Å
141	Q	81	Confident	68.2	Low	129 Å²	129	76.3 Å²	76.3	60%	0.603	37%	0.37	S	S	*	.	H	α-helix	trans	-67.6	-41.9	178.7	-73	-179.4	-13.3	0	0	112.7	Q137 D138 I143 L144 K145	Q137-Q141 PolarHBondContact O-N 2.98Å; Q137-Q141 VanDerWaalsContact O-N 3.11Å; D138-Q141 PolarHBondContact O-N 2.95Å; Q141-I143 PolarHBondContact O-N 3.25Å; Q141-L144 PolarHBondContact O-N 3.22Å; Q141-K145 WeakPolarHBondContact O-CB 3.11Å; Q141-K145 PolarHBondContact O-N 3.22Å
142	R	83.5	Confident	69.3	Low	128 Å²	128	79.5 Å²	79.5	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.9	-69.8	176.3	-165.8	-150.5	6.1	112.8	D138 F146 L165	D138-R142 VanDerWaalsContact CG-NH2 3.28Å; D138-R142 WeakPolarHBondContact O-CG 3.39Å; D138-R142 PolarHBondContact O-N 3.38Å; D138-R142 IonicContact OD1-CZ 3.95Å; D138-R142 VanDerWaalsContact OD1-CZ 3.29Å; D138-R142 IonicContact OD1-NE 3.19Å; D138-R142 PolarHBondContact OD1-NE 2.91Å; D138-R142 IonicContact OD1-NH2 3.97Å; D138-R142 PolarHBondContact OD1-NH2 2.8Å; D138-R142 IonicContact OD2-CZ 2.68Å; D138-R142 IonicContact OD2-NE 3.64Å; D138-R142 PolarHBondContact OD2-NE 3.37Å; D138-R142 VanDerWaalsContact OD2-NE 3.09Å; D138-R142 IonicContact OD2-NH2 2.87Å; D138-R142 PolarHBondContact OD2-NH2 3.05Å; R142-F146 VanDerWaalsContact O-CB 3.31Å; R142-F146 WeakPolarHBondContact O-CB 3.42Å; R142-F146 PolarHBondContact O-N 2.94Å; R142-F146 VanDerWaalsContact O-N 3.08Å; R142-L165 HydrophobicContact CB-CD2 4.46Å
143	I	84.4	Confident	70.3	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-67.9	-42.2	177.4	-72.5	168.4	0	0	0	110.9	Q139 Q141 L147 L165 I172 V175 L176 L179	Q139-I143 WeakPolarHBondContact O-CG1 3.26Å; Q139-I143 PolarHBondContact O-N 3.13Å; Q141-I143 PolarHBondContact O-N 3.25Å; I143-L147 HydrophobicContact CG2-CD1 3.86Å; I143-L147 WeakPolarHBondContact O-CD1 3.46Å; I143-L147 WeakPolarHBondContact O-CG 3Å; I143-L147 PolarHBondContact O-N 3.41Å; I143-L147 VanDerWaalsContact O-N 3.17Å; I143-L165 HydrophobicContact CD1-CD1 4.46Å; I143-L165 HydrophobicContact CG1-CD1 3.5Å; I143-I172 HydrophobicContact CD1-CG1 4.37Å; I143-I172 HydrophobicContact CD1-CG2 4.22Å; I143-V175 HydrophobicContact CD1-CB 3.77Å; I143-V175 HydrophobicContact CD1-CG1 3.73Å; I143-V175 HydrophobicContact CD1-CG2 4.42Å; I143-L176 HydrophobicContact CG2-CD2 3.9Å; I143-L179 HydrophobicContact CB-CD1 4.41Å; I143-L179 HydrophobicContact CG2-CD1 3.86Å
144	L	83	Confident	71.8	Confident	25 Å²	25	78.2 Å²	78.2	13%	0.131	39%	0.391	C	S	.	.	H	α-helix	trans	-63.5	-53.5	176	-71.2	169.6	0	0	0	111.6	E140 Q141 F146 L147 E148 L179 K184 L185	E140-L144 HydrophobicContact CG-CD1 4.25Å; E140-L144 WeakPolarHBondContact O-CG 3.23Å; E140-L144 PolarHBondContact O-N 3.04Å; Q141-L144 PolarHBondContact O-N 3.22Å; L144-F146 VanDerWaalsContact C-N 3.29Å; L144-F146 PolarHBondContact O-N 3.04Å; L144-L147 CarbonylContact O-C 3.55Å; L144-L147 WeakPolarHBondContact O-CA 3.42Å; L144-L147 WeakPolarHBondContact O-CB 3.24Å; L144-L147 PolarHBondContact O-N 2.82Å; L144-E148 WeakPolarHBondContact O-CG 3.48Å; L144-E148 PolarHBondContact O-N 2.72Å; L144-L179 HydrophobicContact CD1-CD2 3.98Å; L144-L179 HydrophobicContact CD2-CD1 4.14Å; L144-L179 HydrophobicContact CD2-CD2 4Å; L144-L179 HydrophobicContact CG-CD1 4.13Å; L144-L179 HydrophobicContact CG-CD2 4.08Å; L144-K184 HydrophobicContact CD1-CD 3.97Å; L144-K184 HydrophobicContact CD2-CB 4.31Å; L144-K184 HydrophobicContact CD2-CD 4.44Å; L144-L185 HydrophobicContact CD2-CD2 4.02Å; L144-L185 HydrophobicContact CD2-CG 4.43Å
145	K	83.3	Confident	73.5	Confident	117 Å²	117	76.7 Å²	76.7	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-56.4	-41.3	180	-174.3	174.1	-172.1	-86.6	0	112.6	Q141 L147 E148 E149	Q141-K145 WeakPolarHBondContact O-CB 3.11Å; Q141-K145 PolarHBondContact O-N 3.22Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 2.91Å; K145-E148 WeakPolarHBondContact O-CB 3.4Å; K145-E148 PolarHBondContact O-N 3.25Å; K145-E149 IonicContact NZ-OE1 2.67Å; K145-E149 PolarHBondContact NZ-OE1 3.48Å; K145-E149 WeakPolarHBondContact O-CB 3.45Å; K145-E149 VanDerWaalsContact O-CG 3.31Å; K145-E149 WeakPolarHBondContact O-CG 3.35Å; K145-E149 PolarHBondContact O-N 2.9Å
146	F	84.2	Confident	75	Confident	28 Å²	28	72.7 Å²	72.7	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-67.7	-31.5	177.1	177.3	-94.1	0	0	0	113	R142 L144 L150 L161 K164	R142-F146 VanDerWaalsContact O-CB 3.31Å; R142-F146 WeakPolarHBondContact O-CB 3.42Å; R142-F146 PolarHBondContact O-N 2.94Å; R142-F146 VanDerWaalsContact O-N 3.08Å; L144-F146 VanDerWaalsContact C-N 3.29Å; L144-F146 PolarHBondContact O-N 3.04Å; F146-L150 HydrophobicContact CD1-CD1 4.38Å; F146-L150 HydrophobicContact CE1-CD1 3.69Å; F146-L150 HydrophobicContact CE1-CG 4.09Å; F146-L150 HydrophobicContact CZ-CD1 4.11Å; F146-L150 HydrophobicContact CZ-CD2 4.19Å; F146-L150 HydrophobicContact CZ-CG 4.07Å; F146-L150 PolarHBondContact O-N 2.76Å; F146-L161 HydrophobicContact CD1-CD2 3.35Å; F146-L161 HydrophobicContact CE1-CD2 3.69Å; F146-L161 HydrophobicContact CG-CD2 4.46Å; F146-K164 HydrophobicContact CE1-CD 4.19Å; F146-K164 HydrophobicContact CE2-CB 4.49Å; F146-K164 HydrophobicContact CE2-CD 3.63Å; F146-K164 HydrophobicContact CZ-CB 4.5Å; F146-K164 HydrophobicContact CZ-CD 3.28Å
147	L	81.8	Confident	76.7	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-75.6	-28.6	173.9	-67.9	166.2	0	0	0	112	I143 L144 K145 L150 T156 L161 L185 I197	I143-L147 HydrophobicContact CG2-CD1 3.86Å; I143-L147 WeakPolarHBondContact O-CD1 3.46Å; I143-L147 WeakPolarHBondContact O-CG 3Å; I143-L147 PolarHBondContact O-N 3.41Å; I143-L147 VanDerWaalsContact O-N 3.17Å; L144-L147 CarbonylContact O-C 3.55Å; L144-L147 WeakPolarHBondContact O-CA 3.42Å; L144-L147 WeakPolarHBondContact O-CB 3.24Å; L144-L147 PolarHBondContact O-N 2.82Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 2.91Å; L147-L150 HydrophobicContact CD2-CD1 4.19Å; L147-T156 HydrophobicContact CD2-CG2 3.4Å; L147-T156 VanDerWaalsContact CD2-CG2 3.4Å; L147-L161 HydrophobicContact CD2-CD2 4.41Å; L147-L185 HydrophobicContact CD1-CD1 3.73Å; L147-L185 HydrophobicContact CD1-CD2 3.54Å; L147-L185 HydrophobicContact CD1-CG 4.31Å; L147-I197 VanDerWaalsContact C-CD1 3.49Å; L147-I197 HydrophobicContact CB-CD1 3.71Å; L147-I197 HydrophobicContact CB-CG1 3.86Å
148	E	79.8	Confident	78	Confident	123 Å²	123	63.2 Å²	63.2	58%	0.575	32%	0.324	S	S	*	.	H	α-helix	trans	-67.6	-45.6	169.6	-65.9	163.2	-176.5	0	0	110.5	L144 K145 L150 G151 I197	L144-E148 WeakPolarHBondContact O-CG 3.48Å; L144-E148 PolarHBondContact O-N 2.72Å; K145-E148 WeakPolarHBondContact O-CB 3.4Å; K145-E148 PolarHBondContact O-N 3.25Å; E148-L150 PolarHBondContact O-N 2.96Å; E148-G151 PolarHBondContact O-N 3.43Å; E148-I197 HydrophobicContact CB-CD1 4.22Å; E148-I197 HydrophobicContact CG-CD1 3.44Å; E148-I197 VanDerWaalsContact CG-CD1 3.44Å
149	E	78.7	Confident	78.8	Confident	121 Å²	121	65.8 Å²	65.8	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-62.9	-18.8	177.5	-75.2	171.5	179.7	0	0	114.3	K145 G151	K145-E149 IonicContact NZ-OE1 2.67Å; K145-E149 PolarHBondContact NZ-OE1 3.48Å; K145-E149 WeakPolarHBondContact O-CB 3.45Å; K145-E149 VanDerWaalsContact O-CG 3.31Å; K145-E149 WeakPolarHBondContact O-CG 3.35Å; K145-E149 PolarHBondContact O-N 2.9Å; E149-G151 VanDerWaalsContact C-N 3.28Å
150	L	75.7	Confident	79.3	Confident	40 Å²	40	67.2 Å²	67.2	21%	0.209	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.1	171.8	-78.7	171.5	0	0	0	113.2	F146 L147 E148 K154 T156	F146-L150 HydrophobicContact CD1-CD1 4.38Å; F146-L150 HydrophobicContact CE1-CD1 3.69Å; F146-L150 HydrophobicContact CE1-CG 4.09Å; F146-L150 HydrophobicContact CZ-CD1 4.11Å; F146-L150 HydrophobicContact CZ-CD2 4.19Å; F146-L150 HydrophobicContact CZ-CG 4.07Å; F146-L150 PolarHBondContact O-N 2.76Å; L147-L150 HydrophobicContact CD2-CD1 4.19Å; E148-L150 PolarHBondContact O-N 2.96Å; L150-K154 HydrophobicContact CB-CB 4.5Å; L150-K154 WeakPolarHBondContact O-CD 3.39Å; L150-K154 PolarHBondContact O-NZ 3.39Å; L150-T156 HydrophobicContact CD1-CG2 3.92Å
151	G	60.9	Low	79.3	Confident	30 Å²	30	66 Å²	66	31%	0.309	34%	0.337	S	S	.	.			trans	83.1	149.6	-175.5	0	0	0	0	0	113.4	E148 E149 K154	E148-G151 PolarHBondContact O-N 3.43Å; E149-G151 VanDerWaalsContact C-N 3.28Å; G151-K154 PolarHBondContact O-N 2.96Å
152	E	60.1	Low	79.6	Confident	186 Å²	186	61 Å²	61	87%	0.869	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	143.9	-173.3	-61.5	-169.5	147.6	0	0	113.1	K154	E152-K154 VanDerWaalsContact C-N 3.25Å; E152-K154 PolarHBondContact O-N 3.5Å
153	G	61.8	Low	79.5	Confident	66 Å²	66	58.1 Å²	58.1	68%	0.68	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-18.6	-179.9	0	0	0	0	0	115.9
154	K	70.8	Confident	79.3	Confident	133 Å²	133	64.6 Å²	64.6	58%	0.578	36%	0.355	S	S	*	.			trans	-78.3	139.4	178.1	-55.7	-159.2	-162.8	108.4	0	111.9	L150 G151 E152 K196	L150-K154 HydrophobicContact CB-CB 4.5Å; L150-K154 WeakPolarHBondContact O-CD 3.39Å; L150-K154 PolarHBondContact O-NZ 3.39Å; G151-K154 PolarHBondContact O-N 2.96Å; E152-K154 VanDerWaalsContact C-N 3.25Å; E152-K154 PolarHBondContact O-N 3.5Å; K154-K196 WeakPolarHBondContact O-CB 3.33Å
155	A	81	Confident	79.2	Confident	33 Å²	33	65.6 Å²	65.6	27%	0.273	36%	0.36	S	S	.	.			trans	-118.7	151.7	178.2	0	0	0	0	0	111.5	E188 L194 W195 K196	A155-E188 WeakPolarHBondContact CB-OE2 3.41Å; A155-L194 HydrophobicContact CB-CB 3.87Å; A155-W195 VanDerWaalsContact CA-O 3.3Å; A155-W195 WeakPolarHBondContact CA-O 3.44Å; A155-K196 HydrophobicContact CB-CB 3.98Å; A155-K196 HydrophobicContact CB-CD 4.49Å
156	T	85.4	Confident	78.9	Confident	17 Å²	17	63.3 Å²	63.3	10%	0.104	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.3	-175.5	-171.3	0	0	0	0	111.8	L147 L150 L161 W195	L147-T156 HydrophobicContact CD2-CG2 3.4Å; L147-T156 VanDerWaalsContact CD2-CG2 3.4Å; L150-T156 HydrophobicContact CD1-CG2 3.92Å; T156-L161 HydrophobicContact CG2-CD1 3.94Å; T156-L161 HydrophobicContact CG2-CD2 4.14Å; T156-L161 HydrophobicContact CG2-CG 3.86Å; T156-W195 PolarHBondContact N-O 3.17Å; T156-W195 PolarHBondContact O-N 3.48Å
157	T	88.8	Confident	78.9	Confident	21 Å²	21	63 Å²	63	13%	0.129	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	157.5	178.5	85.5	0	0	0	0	112.2	H159 D160 L161 P192 L194	T157-H159 PolarHBondContact O-N 2.5Å; T157-H159 VanDerWaalsContact O-N 3.1Å; T157-H159 WeakPolarHBondContact OG1-CB 3.31Å; T157-H159 PolarHBondContact OG1-N 3.35Å; T157-D160 VanDerWaalsContact CB-OD2 3.27Å; T157-D160 WeakPolarHBondContact CB-OD2 3.47Å; T157-D160 WeakPolarHBondContact CG2-OD2 3.23Å; T157-D160 PolarHBondContact N-OD2 2.84Å; T157-D160 PolarHBondContact O-N 3.33Å; T157-D160 VanDerWaalsContact OG1-CG 3.24Å; T157-D160 PolarHBondContact OG1-N 3.07Å; T157-D160 PolarHBondContact OG1-OD2 2.66Å; T157-L161 PolarHBondContact O-N 3.37Å; T157-P192 HydrophobicContact CG2-CG 3.97Å; T157-L194 HydrophobicContact CG2-CD2 3.76Å
158	A	86.9	Confident	79.1	Confident	5 Å²	5	66 Å²	66	4%	0.041	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10	169.9	0	0	0	0	0	114.2	N173 L176	A158-N173 VanDerWaalsContact CB-OD1 3.22Å; A158-N173 WeakPolarHBondContact CB-OD1 3.16Å; A158-L176 HydrophobicContact CB-CD1 3.67Å
159	H	86.8	Confident	79.4	Confident	112 Å²	112	64.3 Å²	64.3	52%	0.519	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-44.8	171.8	179.7	-97.9	0	0	0	111.2	T157 S162 G163 K169	T157-H159 PolarHBondContact O-N 2.5Å; T157-H159 VanDerWaalsContact O-N 3.1Å; T157-H159 WeakPolarHBondContact OG1-CB 3.31Å; T157-H159 PolarHBondContact OG1-N 3.35Å; H159-S162 WeakPolarHBondContact O-CA 3.38Å; H159-S162 VanDerWaalsContact O-CB 3.25Å; H159-S162 WeakPolarHBondContact O-CB 3.32Å; H159-S162 PolarHBondContact O-N 2.92Å; H159-G163 PolarHBondContact O-N 3.29Å; H159-K169 HydrophobicContact CB-CD 4.32Å
160	D	83.7	Confident	79.8	Confident	65 Å²	65	67.2 Å²	67.2	35%	0.348	39%	0.392	S	S	.	.	H	α-helix	trans	-73.2	-34.9	-174.3	-42.5	-49.2	0	0	0	110.7	T157 S162 G163 K164	T157-D160 VanDerWaalsContact CB-OD2 3.27Å; T157-D160 WeakPolarHBondContact CB-OD2 3.47Å; T157-D160 WeakPolarHBondContact CG2-OD2 3.23Å; T157-D160 PolarHBondContact N-OD2 2.84Å; T157-D160 PolarHBondContact O-N 3.33Å; T157-D160 VanDerWaalsContact OG1-CG 3.24Å; T157-D160 PolarHBondContact OG1-N 3.07Å; T157-D160 PolarHBondContact OG1-OD2 2.66Å; D160-S162 VanDerWaalsContact C-N 3.26Å; D160-S162 PolarHBondContact O-N 3.35Å; D160-G163 PolarHBondContact O-N 3.48Å; D160-K164 WeakPolarHBondContact O-CB 3.26Å; D160-K164 WeakPolarHBondContact O-CG 3.47Å; D160-K164 PolarHBondContact O-N 3.46Å
161	L	83.8	Confident	80.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-58.2	-36.7	165.5	-71.6	166	0	0	0	112.3	F146 L147 T156 T157 L165 I172 L176	F146-L161 HydrophobicContact CD1-CD2 3.35Å; F146-L161 HydrophobicContact CE1-CD2 3.69Å; F146-L161 HydrophobicContact CG-CD2 4.46Å; L147-L161 HydrophobicContact CD2-CD2 4.41Å; T156-L161 HydrophobicContact CG2-CD1 3.94Å; T156-L161 HydrophobicContact CG2-CD2 4.14Å; T156-L161 HydrophobicContact CG2-CG 3.86Å; T157-L161 PolarHBondContact O-N 3.37Å; L161-L165 HydrophobicContact CD2-CD1 4.47Å; L161-L165 VanDerWaalsContact O-CB 3.27Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.43Å; L161-L165 PolarHBondContact O-N 2.86Å; L161-I172 VanDerWaalsContact C-CD1 3.44Å; L161-I172 HydrophobicContact CB-CD1 4.1Å; L161-I172 HydrophobicContact CB-CG2 3.85Å; L161-I172 HydrophobicContact CD1-CG2 4.19Å; L161-I172 WeakPolarHBondContact O-CD1 3.33Å; L161-L176 HydrophobicContact CD1-CD1 3.79Å; L161-L176 HydrophobicContact CD1-CD2 3.92Å; L161-L176 HydrophobicContact CD1-CG 4.34Å
162	S	87.4	Confident	81.3	Confident	24 Å²	24	68.4 Å²	68.4	17%	0.168	39%	0.388	C	S	.	.	H	α-helix	trans	-72	-40.7	178	-167.2	0	0	0	0	112.2	H159 D160 G166 T167 K169 I172	H159-S162 WeakPolarHBondContact O-CA 3.38Å; H159-S162 VanDerWaalsContact O-CB 3.25Å; H159-S162 WeakPolarHBondContact O-CB 3.32Å; H159-S162 PolarHBondContact O-N 2.92Å; D160-S162 VanDerWaalsContact C-N 3.26Å; D160-S162 PolarHBondContact O-N 3.35Å; S162-G166 PolarHBondContact O-N 3.49Å; S162-G166 VanDerWaalsContact O-N 3.16Å; S162-T167 WeakPolarHBondContact CA-O 3.15Å; S162-T167 WeakPolarHBondContact CB-O 3.21Å; S162-T167 PolarHBondContact OG-O 3.11Å; S162-K169 PolarHBondContact OG-N 3.35Å; S162-I172 VanDerWaalsContact CA-CD1 3.4Å
163	G	80.6	Confident	82.7	Confident	67 Å²	67	61.8 Å²	61.8	69%	0.691	36%	0.359	S	S	*	.	H	α-helix	trans	-63.3	-40	172.4	0	0	0	0	0	113.2	H159 D160	H159-G163 PolarHBondContact O-N 3.29Å; D160-G163 PolarHBondContact O-N 3.48Å
164	K	80.9	Confident	83.9	Confident	137 Å²	137	66.5 Å²	66.5	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-84	-32.1	-175.7	-70.6	-177.2	175.4	-174	0	114.9	F146 D160	F146-K164 HydrophobicContact CE1-CD 4.19Å; F146-K164 HydrophobicContact CE2-CB 4.49Å; F146-K164 HydrophobicContact CE2-CD 3.63Å; F146-K164 HydrophobicContact CZ-CB 4.5Å; F146-K164 HydrophobicContact CZ-CD 3.28Å; D160-K164 WeakPolarHBondContact O-CB 3.26Å; D160-K164 WeakPolarHBondContact O-CG 3.47Å; D160-K164 PolarHBondContact O-N 3.46Å
165	L	80.4	Confident	84.6	Confident	45 Å²	45	60.7 Å²	60.7	24%	0.236	33%	0.331	C	S	.	.	H	α-helix	trans	-95	-5.2	179.2	-61.4	174.8	0	0	0	113.6	R142 I143 L161 T167 I172	R142-L165 HydrophobicContact CB-CD2 4.46Å; I143-L165 HydrophobicContact CD1-CD1 4.46Å; I143-L165 HydrophobicContact CG1-CD1 3.5Å; L161-L165 HydrophobicContact CD2-CD1 4.47Å; L161-L165 VanDerWaalsContact O-CB 3.27Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.43Å; L161-L165 PolarHBondContact O-N 2.86Å; L165-T167 PolarHBondContact O-N 2.9Å; L165-T167 PolarHBondContact O-OG1 3.14Å; L165-I172 HydrophobicContact CB-CD1 4.35Å; L165-I172 HydrophobicContact CD1-CD1 4.26Å
166	G	78.2	Confident	85	Confident	69 Å²	69	59.1 Å²	59.1	71%	0.711	32%	0.318	S	S	*	.			trans	65.8	-3.4	-175.8	0	0	0	0	0	115.1	S162	S162-G166 PolarHBondContact O-N 3.49Å; S162-G166 VanDerWaalsContact O-N 3.16Å
167	T	83.9	Confident	85.1	Confident	22 Å²	22	64.1 Å²	64.1	14%	0.135	34%	0.336	C	S	.	.	S	Bend	trans	-86.7	137.9	-176.1	-57.2	0	0	0	0	110.1	Q139 S162 L165 K169 E171 I172	Q139-T167 PolarHBondContact OE1-OG1 2.82Å; S162-T167 WeakPolarHBondContact CA-O 3.15Å; S162-T167 WeakPolarHBondContact CB-O 3.21Å; S162-T167 PolarHBondContact OG-O 3.11Å; L165-T167 PolarHBondContact O-N 2.9Å; L165-T167 PolarHBondContact O-OG1 3.14Å; T167-K169 PolarHBondContact O-N 2.91Å; T167-E171 HydrophobicContact CG2-CB 4.08Å; T167-I172 HydrophobicContact CG2-CG1 4.03Å; T167-I172 WeakPolarHBondContact O-CD1 3.22Å
168	P	84.6	Confident	85.1	Confident	71 Å²	71	65.6 Å²	65.6	46%	0.461	35%	0.347	S	S	.	.			trans	-57.2	134.4	-177.7	-26.9	35.2	0	0	0	113.9	K170 E171 I172	P168-K170 PolarHBondContact O-N 2.94Å; P168-E171 PolarHBondContact O-N 3.3Å; P168-I172 PolarHBondContact O-N 2.87Å
169	K	87.9	Confident	85	Confident	87 Å²	87	65.3 Å²	65.3	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-48	-28.4	179.2	-179.1	170.9	-177.6	179.2	0	114.8	H159 S162 T167 N173	H159-K169 HydrophobicContact CB-CD 4.32Å; S162-K169 PolarHBondContact OG-N 3.35Å; T167-K169 PolarHBondContact O-N 2.91Å; K169-N173 VanDerWaalsContact O-CB 3.3Å; K169-N173 WeakPolarHBondContact O-CB 3.46Å; K169-N173 PolarHBondContact O-N 3.03Å; K169-N173 PolarHBondContact O-ND2 3.49Å; K169-N173 VanDerWaalsContact O-ND2 3.17Å
170	K	85.8	Confident	84.9	Confident	181 Å²	181	61.5 Å²	61.5	79%	0.787	33%	0.333	S	S	*	.	H	α-helix	trans	-65.7	-39.9	175.4	-174.4	-176.5	177.3	-171.8	0	112.7	P168 R174	P168-K170 PolarHBondContact O-N 2.94Å; K170-R174 PolarHBondContact O-N 3.46Å
171	E	82.5	Confident	84.8	Confident	95 Å²	95	67.5 Å²	67.5	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-80.1	-42.5	-179	-72.5	163.7	-165.5	0	0	110.7	T167 P168 N173 R174 V175	T167-E171 HydrophobicContact CG2-CB 4.08Å; P168-E171 PolarHBondContact O-N 3.3Å; E171-N173 VanDerWaalsContact C-N 3.34Å; E171-N173 PolarHBondContact O-N 3.49Å; E171-R174 WeakPolarHBondContact O-CA 3.33Å; E171-R174 VanDerWaalsContact O-CB 3.31Å; E171-R174 WeakPolarHBondContact O-CB 3.04Å; E171-R174 PolarHBondContact O-N 3.32Å; E171-V175 PolarHBondContact O-N 3.01Å
172	I	86.4	Confident	84.7	Confident	1 Å²	1	73 Å²	73	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-58.2	-45.2	172.5	-66.2	-176.8	0	0	0	111.2	I143 L161 S162 L165 T167 P168 R174 V175 L176	I143-I172 HydrophobicContact CD1-CG1 4.37Å; I143-I172 HydrophobicContact CD1-CG2 4.22Å; L161-I172 VanDerWaalsContact C-CD1 3.44Å; L161-I172 HydrophobicContact CB-CD1 4.1Å; L161-I172 HydrophobicContact CB-CG2 3.85Å; L161-I172 HydrophobicContact CD1-CG2 4.19Å; L161-I172 WeakPolarHBondContact O-CD1 3.33Å; S162-I172 VanDerWaalsContact CA-CD1 3.4Å; L165-I172 HydrophobicContact CB-CD1 4.35Å; L165-I172 HydrophobicContact CD1-CD1 4.26Å; T167-I172 HydrophobicContact CG2-CG1 4.03Å; T167-I172 WeakPolarHBondContact O-CD1 3.22Å; P168-I172 PolarHBondContact O-N 2.87Å; I172-R174 VanDerWaalsContact C-N 3.3Å; I172-R174 PolarHBondContact O-N 2.86Å; I172-V175 PolarHBondContact O-N 2.77Å; I172-V175 VanDerWaalsContact O-N 3.14Å; I172-L176 HydrophobicContact CG2-CD1 3.74Å; I172-L176 HydrophobicContact CG2-CG 4.08Å; I172-L176 WeakPolarHBondContact O-CB 3.48Å; I172-L176 VanDerWaalsContact O-CG 3.32Å; I172-L176 WeakPolarHBondContact O-CG 3.33Å; I172-L176 PolarHBondContact O-N 3.11Å
173	N	89.6	Confident	84.5	Confident	46 Å²	46	74.3 Å²	74.3	25%	0.246	40%	0.397	C	S	.	.	H	α-helix	trans	-54.8	-45.7	171.6	-88.3	-37.7	0	0	0	111.7	A158 K169 E171 V175 L176 Y177	A158-N173 VanDerWaalsContact CB-OD1 3.22Å; A158-N173 WeakPolarHBondContact CB-OD1 3.16Å; K169-N173 VanDerWaalsContact O-CB 3.3Å; K169-N173 WeakPolarHBondContact O-CB 3.46Å; K169-N173 PolarHBondContact O-N 3.03Å; K169-N173 PolarHBondContact O-ND2 3.49Å; K169-N173 VanDerWaalsContact O-ND2 3.17Å; E171-N173 VanDerWaalsContact C-N 3.34Å; E171-N173 PolarHBondContact O-N 3.49Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 2.75Å; N173-L176 PolarHBondContact O-N 3.26Å; N173-Y177 VanDerWaalsContact O-CD2 3.25Å; N173-Y177 WeakPolarHBondContact O-CD2 3.45Å; N173-Y177 PolarHBondContact O-N 3.44Å
174	R	86.4	Confident	84.6	Confident	166 Å²	166	75.3 Å²	75.3	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-59	-38	178.8	-173	-177.5	178.9	-178.5	0.2	112	Y136 K170 E171 I172 S178	Y136-R174 PolarHBondContact OH-NH1 2.99Å; K170-R174 PolarHBondContact O-N 3.46Å; E171-R174 WeakPolarHBondContact O-CA 3.33Å; E171-R174 VanDerWaalsContact O-CB 3.31Å; E171-R174 WeakPolarHBondContact O-CB 3.04Å; E171-R174 PolarHBondContact O-N 3.32Å; I172-R174 VanDerWaalsContact C-N 3.3Å; I172-R174 PolarHBondContact O-N 2.86Å; R174-S178 WeakPolarHBondContact O-CB 3.31Å; R174-S178 PolarHBondContact O-N 3.08Å
175	V	86.2	Confident	84.8	Confident	10 Å²	10	69 Å²	69	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-76	-42.2	176.7	-177	0	0	0	0	111.8	Y136 E140 I143 E171 I172 N173 S178 L179	Y136-V175 HydrophobicContact CE1-CG2 4.38Å; E140-V175 HydrophobicContact CB-CG1 4.38Å; I143-V175 HydrophobicContact CD1-CB 3.77Å; I143-V175 HydrophobicContact CD1-CG1 3.73Å; I143-V175 HydrophobicContact CD1-CG2 4.42Å; E171-V175 PolarHBondContact O-N 3.01Å; I172-V175 PolarHBondContact O-N 2.77Å; I172-V175 VanDerWaalsContact O-N 3.14Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 2.75Å; V175-S178 CarbonylContact O-C 3.37Å; V175-S178 WeakPolarHBondContact O-CA 3.45Å; V175-S178 WeakPolarHBondContact O-CB 3.47Å; V175-S178 PolarHBondContact O-N 3.48Å; V175-S178 VanDerWaalsContact O-N 3.12Å; V175-L179 HydrophobicContact CG1-CD1 3.97Å; V175-L179 HydrophobicContact CG1-CG 4.25Å; V175-L179 WeakPolarHBondContact O-CB 3.38Å; V175-L179 PolarHBondContact O-N 3.13Å
176	L	88.7	Confident	85	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-48.6	177.2	-72.7	171.9	0	0	0	112.7	I143 A158 L161 I172 N173 S178 L179 A180 L185 W195	I143-L176 HydrophobicContact CG2-CD2 3.9Å; A158-L176 HydrophobicContact CB-CD1 3.67Å; L161-L176 HydrophobicContact CD1-CD1 3.79Å; L161-L176 HydrophobicContact CD1-CD2 3.92Å; L161-L176 HydrophobicContact CD1-CG 4.34Å; I172-L176 HydrophobicContact CG2-CD1 3.74Å; I172-L176 HydrophobicContact CG2-CG 4.08Å; I172-L176 WeakPolarHBondContact O-CB 3.48Å; I172-L176 VanDerWaalsContact O-CG 3.32Å; I172-L176 WeakPolarHBondContact O-CG 3.33Å; I172-L176 PolarHBondContact O-N 3.11Å; N173-L176 PolarHBondContact O-N 3.26Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 3.39Å; L176-L179 PolarHBondContact O-N 3.41Å; L176-A180 PolarHBondContact O-N 2.61Å; L176-L185 HydrophobicContact CD2-CD1 3.54Å; L176-W195 HydrophobicContact CB-CD2 4.01Å; L176-W195 HydrophobicContact CB-CE3 3.9Å; L176-W195 HydrophobicContact CB-CH2 3.99Å; L176-W195 HydrophobicContact CB-CZ2 4.12Å; L176-W195 HydrophobicContact CB-CZ3 3.88Å; L176-W195 HydrophobicContact CD1-CD2 4.06Å; L176-W195 HydrophobicContact CD1-CG 4.07Å; L176-W195 HydrophobicContact CD2-CB 4.25Å; L176-W195 HydrophobicContact CD2-CD2 4.16Å; L176-W195 HydrophobicContact CD2-CE3 4.28Å; L176-W195 HydrophobicContact CD2-CG 4.14Å; L176-W195 HydrophobicContact CG-CD2 4.32Å; L176-W195 WeakPolarHBondContact O-CZ3 3.29Å
177	Y	88.5	Confident	85.4	Confident	122 Å²	122	73.6 Å²	73.6	48%	0.478	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-29.3	175.5	-78.2	-75.7	0	0	0	112.4	N173 K181 W195	N173-Y177 VanDerWaalsContact O-CD2 3.25Å; N173-Y177 WeakPolarHBondContact O-CD2 3.45Å; N173-Y177 PolarHBondContact O-N 3.44Å; Y177-K181 WeakPolarHBondContact O-CB 3.34Å; Y177-K181 PolarHBondContact O-N 2.97Å; Y177-K181 VanDerWaalsContact O-N 3.14Å; Y177-W195 AromaticContact CD1-CH2 3.66Å; Y177-W195 HydrophobicContact CD1-CH2 3.66Å; Y177-W195 HydrophobicContact CD1-CZ2 4.43Å; Y177-W195 HydrophobicContact CD2-CH2 4.01Å; Y177-W195 HydrophobicContact CD2-CZ2 4.24Å; Y177-W195 AromaticContact CE1-CH2 3.67Å; Y177-W195 HydrophobicContact CE1-CH2 3.67Å; Y177-W195 HydrophobicContact CE1-CZ2 4.08Å; Y177-W195 AromaticContact CE2-CH2 4Å; Y177-W195 HydrophobicContact CE2-CH2 4Å; Y177-W195 AromaticContact CE2-CZ2 3.85Å; Y177-W195 HydrophobicContact CE2-CZ2 3.85Å; Y177-W195 AromaticContact CG-CH2 3.82Å; Y177-W195 HydrophobicContact CG-CH2 3.82Å; Y177-W195 HydrophobicContact CG-CZ2 4.49Å; Y177-W195 AromaticContact CZ-CH2 3.82Å; Y177-W195 AromaticContact CZ-CZ2 3.75Å
178	S	87.6	Confident	85.4	Confident	52 Å²	52	75.3 Å²	75.3	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-69.2	-47	172.4	-173.9	0	0	0	0	111.5	R174 V175 L176 K181 K182	R174-S178 WeakPolarHBondContact O-CB 3.31Å; R174-S178 PolarHBondContact O-N 3.08Å; V175-S178 CarbonylContact O-C 3.37Å; V175-S178 WeakPolarHBondContact O-CA 3.45Å; V175-S178 WeakPolarHBondContact O-CB 3.47Å; V175-S178 PolarHBondContact O-N 3.48Å; V175-S178 VanDerWaalsContact O-N 3.12Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 3.39Å; S178-K181 PolarHBondContact O-N 3.3Å; S178-K182 WeakPolarHBondContact O-CG 3.35Å; S178-K182 PolarHBondContact O-N 2.81Å
179	L	84.1	Confident	84.5	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-41.4	178.5	-84	174.6	0	0	0	113	E140 I143 L144 V175 L176 K182 G183 K184 L185	E140-L179 HydrophobicContact CG-CD1 4.23Å; E140-L179 HydrophobicContact CG-CD2 3.47Å; E140-L179 VanDerWaalsContact CG-CD2 3.47Å; E140-L179 HydrophobicContact CG-CG 3.98Å; I143-L179 HydrophobicContact CB-CD1 4.41Å; I143-L179 HydrophobicContact CG2-CD1 3.86Å; L144-L179 HydrophobicContact CD1-CD2 3.98Å; L144-L179 HydrophobicContact CD2-CD1 4.14Å; L144-L179 HydrophobicContact CD2-CD2 4Å; L144-L179 HydrophobicContact CG-CD1 4.13Å; L144-L179 HydrophobicContact CG-CD2 4.08Å; V175-L179 HydrophobicContact CG1-CD1 3.97Å; V175-L179 HydrophobicContact CG1-CG 4.25Å; V175-L179 WeakPolarHBondContact O-CB 3.38Å; V175-L179 PolarHBondContact O-N 3.13Å; L176-L179 PolarHBondContact O-N 3.41Å; L179-K182 CarbonylContact O-C 3.59Å; L179-K182 WeakPolarHBondContact O-CA 3.2Å; L179-K182 WeakPolarHBondContact O-CB 3.35Å; L179-K182 PolarHBondContact O-N 3.05Å; L179-G183 PolarHBondContact O-N 2.84Å; L179-K184 HydrophobicContact CD2-CB 4.07Å; L179-K184 HydrophobicContact CD2-CD 3.56Å; L179-K184 HydrophobicContact CD2-CG 4.41Å; L179-K184 PolarHBondContact O-N 2.71Å; L179-L185 HydrophobicContact CB-CB 4.39Å; L179-L185 HydrophobicContact CB-CD1 3.69Å; L179-L185 HydrophobicContact CB-CG 3.85Å; L179-L185 HydrophobicContact CD1-CD1 3.67Å; L179-L185 HydrophobicContact CD1-CG 4.25Å; L179-L185 HydrophobicContact CG-CD1 4.31Å
180	A	85.6	Confident	83.6	Confident	31 Å²	31	74.9 Å²	74.9	26%	0.256	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-35.8	173.6	0	0	0	0	0	112.4	L176 K182 G183 L185 W195	L176-A180 PolarHBondContact O-N 2.61Å; A180-K182 PolarHBondContact O-N 3.07Å; A180-G183 PolarHBondContact O-N 3.07Å; A180-L185 VanDerWaalsContact CA-O 3.32Å; A180-L185 WeakPolarHBondContact CA-O 3.43Å; A180-L185 HydrophobicContact CB-CB 4.47Å; A180-L185 WeakPolarHBondContact CB-O 3.19Å; A180-W195 HydrophobicContact CB-CZ3 3.81Å
181	K	82.4	Confident	82.6	Confident	192 Å²	192	73.4 Å²	73.4	84%	0.835	39%	0.391	S	S	*	.	H	α-helix	trans	-65.5	-26.7	170.9	-170.8	177.5	178.7	-174.1	0	112.6	Y177 S178 G183	Y177-K181 WeakPolarHBondContact O-CB 3.34Å; Y177-K181 PolarHBondContact O-N 2.97Å; Y177-K181 VanDerWaalsContact O-N 3.14Å; S178-K181 PolarHBondContact O-N 3.3Å; K181-G183 VanDerWaalsContact C-N 3.27Å
182	K	81.8	Confident	82	Confident	115 Å²	115	72.4 Å²	72.4	50%	0.5	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.6	169.9	-67.7	176.5	178.9	-173.6	0	113.7	E140 S178 L179 A180 K184	E140-K182 IonicContact OE1-NZ 3.86Å; E140-K182 PolarHBondContact OE1-NZ 3.5Å; E140-K182 IonicContact OE2-NZ 3.64Å; E140-K182 PolarHBondContact OE2-NZ 3.13Å; S178-K182 WeakPolarHBondContact O-CG 3.35Å; S178-K182 PolarHBondContact O-N 2.81Å; L179-K182 CarbonylContact O-C 3.59Å; L179-K182 WeakPolarHBondContact O-CA 3.2Å; L179-K182 WeakPolarHBondContact O-CB 3.35Å; L179-K182 PolarHBondContact O-N 3.05Å; A180-K182 PolarHBondContact O-N 3.07Å; K182-K184 HydrophobicContact CB-CG 4.41Å; K182-K184 PolarHBondContact O-N 3.25Å
183	G	82.2	Confident	81.9	Confident	51 Å²	51	73.6 Å²	73.6	53%	0.526	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	2.2	-178.7	0	0	0	0	0	115.7	L179 A180 K181 A198	L179-G183 PolarHBondContact O-N 2.84Å; A180-G183 PolarHBondContact O-N 3.07Å; K181-G183 VanDerWaalsContact C-N 3.27Å; G183-A198 VanDerWaalsContact O-CB 3.26Å; G183-A198 WeakPolarHBondContact O-CB 3.4Å
184	K	82.3	Confident	81.8	Confident	88 Å²	88	74.6 Å²	74.6	38%	0.383	41%	0.405	S	S	.	.	S	Bend	trans	-78.3	-27.3	-176.8	-68.7	-177.8	174.2	-177.8	0	113.7	E140 L144 L179 K182 A198	E140-K184 IonicContact OE1-NZ 2.73Å; E140-K184 PolarHBondContact OE1-NZ 2.99Å; L144-K184 HydrophobicContact CD1-CD 3.97Å; L144-K184 HydrophobicContact CD2-CB 4.31Å; L144-K184 HydrophobicContact CD2-CD 4.44Å; L179-K184 HydrophobicContact CD2-CB 4.07Å; L179-K184 HydrophobicContact CD2-CD 3.56Å; L179-K184 HydrophobicContact CD2-CG 4.41Å; L179-K184 PolarHBondContact O-N 2.71Å; K182-K184 HydrophobicContact CB-CG 4.41Å; K182-K184 PolarHBondContact O-N 3.25Å; K184-A198 PolarHBondContact O-N 2.74Å
185	L	86.5	Confident	81.9	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.4	179.4	-64	-176	0	0	0	110.8	L144 L147 L176 L179 A180 K196 I197	L144-L185 HydrophobicContact CD2-CD2 4.02Å; L144-L185 HydrophobicContact CD2-CG 4.43Å; L147-L185 HydrophobicContact CD1-CD1 3.73Å; L147-L185 HydrophobicContact CD1-CD2 3.54Å; L147-L185 HydrophobicContact CD1-CG 4.31Å; L176-L185 HydrophobicContact CD2-CD1 3.54Å; L179-L185 HydrophobicContact CB-CB 4.39Å; L179-L185 HydrophobicContact CB-CD1 3.69Å; L179-L185 HydrophobicContact CB-CG 3.85Å; L179-L185 HydrophobicContact CD1-CD1 3.67Å; L179-L185 HydrophobicContact CD1-CG 4.25Å; L179-L185 HydrophobicContact CG-CD1 4.31Å; A180-L185 VanDerWaalsContact CA-O 3.32Å; A180-L185 WeakPolarHBondContact CA-O 3.43Å; A180-L185 HydrophobicContact CB-CB 4.47Å; A180-L185 WeakPolarHBondContact CB-O 3.19Å; L185-K196 CarbonylContact C-O 3.49Å; L185-K196 VanDerWaalsContact CA-O 3.29Å; L185-K196 WeakPolarHBondContact CA-O 3.42Å; L185-K196 WeakPolarHBondContact CD2-O 3.35Å; L185-I197 HydrophobicContact CD2-CB 4.41Å; L185-I197 HydrophobicContact CD2-CG1 3.71Å
186	Q	82.9	Confident	82	Confident	105 Å²	105	68.4 Å²	68.4	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.7	168.1	-163.7	175.8	23.7	0	0	109.5	K196	Q186-K196 HydrophobicContact CB-CG 4.15Å; Q186-K196 PolarHBondContact N-O 2.97Å; Q186-K196 PolarHBondContact O-N 3.49Å; Q186-K196 VanDerWaalsContact O-N 3.09Å
187	K	88.5	Confident	81.9	Confident	104 Å²	104	71.2 Å²	71.2	45%	0.452	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.9	172.7	-177.3	-136.7	166.2	-161.2	0	108.9	P193 W195	K187-P193 HydrophobicContact CD-CB 4.4Å; K187-P193 HydrophobicContact CG-CB 4.14Å; K187-W195 HydrophobicContact CB-CD2 4.44Å; K187-W195 HydrophobicContact CB-CE3 3.93Å; K187-W195 HydrophobicContact CB-CH2 4.16Å; K187-W195 HydrophobicContact CB-CZ3 3.79Å; K187-W195 HydrophobicContact CD-CH2 4.44Å; K187-W195 HydrophobicContact CG-CD2 4.3Å; K187-W195 HydrophobicContact CG-CE3 4.21Å; K187-W195 HydrophobicContact CG-CH2 3.9Å; K187-W195 HydrophobicContact CG-CZ2 3.96Å; K187-W195 HydrophobicContact CG-CZ3 4.02Å
188	E	81.9	Confident	81.5	Confident	59 Å²	59	67.2 Å²	67.2	28%	0.276	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-88.7	162.4	178.2	-63.9	179.4	145.2	0	0	111.8	A155 L194 K196	A155-E188 WeakPolarHBondContact CB-OE2 3.41Å; E188-L194 HydrophobicContact CB-CB 4.3Å; E188-L194 PolarHBondContact N-O 2.82Å; E188-K196 WeakPolarHBondContact OE1-CD 3.46Å; E188-K196 WeakPolarHBondContact OE1-CE 3.31Å; E188-K196 IonicContact OE1-NZ 2.69Å; E188-K196 PolarHBondContact OE1-NZ 2.89Å
189	A	67	Low	80.6	Confident	108 Å²	108	70.2 Å²	70.2	89%	0.893	41%	0.405	S	S	*	.	S	Bend	trans	-81.6	120.1	178.4	0	0	0	0	0	110.2
190	G	68.4	Low	78.8	Confident	41 Å²	41	75.2 Å²	75.2	42%	0.423	44%	0.439	S	S	.	.	S	Bend	trans	173	164.7	-179.2	0	0	0	0	0	112	P192 P193	G190-P192 CarbonylContact C-O 3.53Å; G190-P192 CarbonylContact O-C 3.46Å; G190-P193 WeakPolarHBondContact O-CA 3.35Å
191	T	66.1	Low	76.4	Confident	149 Å²	149	80 Å²	80	91%	0.914	47%	0.466	S	S	*	.	S	Bend	trans	-131.4	102.6	178.3	-57	0	0	0	0	109.3
192	P	68.9	Low	74	Confident	74 Å²	74	79.6 Å²	79.6	48%	0.481	47%	0.467	S	S	.	.	S	Bend	cis	-68.9	156.7	-1	31.6	-36.8	0	0	0	113.1	T157 G190	T157-P192 HydrophobicContact CG2-CG 3.97Å; G190-P192 CarbonylContact C-O 3.53Å; G190-P192 CarbonylContact O-C 3.46Å
193	P	84.4	Confident	71.5	Confident	27 Å²	27	78.6 Å²	78.6	18%	0.175	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-72.1	139.8	178.2	29.3	-35.1	0	0	0	111.9	K187 G190 W195	K187-P193 HydrophobicContact CD-CB 4.4Å; K187-P193 HydrophobicContact CG-CB 4.14Å; G190-P193 WeakPolarHBondContact O-CA 3.35Å; P193-W195 HydrophobicContact CG-CZ2 4.41Å; P193-W195 VanDerWaalsContact O-CD1 3.26Å; P193-W195 PolarHBondContact O-NE1 3.5Å
194	L	87.7	Confident	68.8	Low	66 Å²	66	88.7 Å²	88.7	35%	0.346	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.6	173.4	-68.2	169.4	0	0	0	111	A155 T157 E188	A155-L194 HydrophobicContact CB-CB 3.87Å; T157-L194 HydrophobicContact CG2-CD2 3.76Å; E188-L194 HydrophobicContact CB-CB 4.3Å; E188-L194 PolarHBondContact N-O 2.82Å
195	W	88.4	Confident	66.3	Low	1 Å²	1	90.7 Å²	90.7	0%	0.004	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.8	-175.1	-56.1	80.3	0	0	0	110.5	A155 T156 L176 Y177 A180 K187 P193	A155-W195 VanDerWaalsContact CA-O 3.3Å; A155-W195 WeakPolarHBondContact CA-O 3.44Å; T156-W195 PolarHBondContact N-O 3.17Å; T156-W195 PolarHBondContact O-N 3.48Å; L176-W195 HydrophobicContact CB-CD2 4.01Å; L176-W195 HydrophobicContact CB-CE3 3.9Å; L176-W195 HydrophobicContact CB-CH2 3.99Å; L176-W195 HydrophobicContact CB-CZ2 4.12Å; L176-W195 HydrophobicContact CB-CZ3 3.88Å; L176-W195 HydrophobicContact CD1-CD2 4.06Å; L176-W195 HydrophobicContact CD1-CG 4.07Å; L176-W195 HydrophobicContact CD2-CB 4.25Å; L176-W195 HydrophobicContact CD2-CD2 4.16Å; L176-W195 HydrophobicContact CD2-CE3 4.28Å; L176-W195 HydrophobicContact CD2-CG 4.14Å; L176-W195 HydrophobicContact CG-CD2 4.32Å; L176-W195 WeakPolarHBondContact O-CZ3 3.29Å; Y177-W195 AromaticContact CD1-CH2 3.66Å; Y177-W195 HydrophobicContact CD1-CH2 3.66Å; Y177-W195 HydrophobicContact CD1-CZ2 4.43Å; Y177-W195 HydrophobicContact CD2-CH2 4.01Å; Y177-W195 HydrophobicContact CD2-CZ2 4.24Å; Y177-W195 AromaticContact CE1-CH2 3.67Å; Y177-W195 HydrophobicContact CE1-CH2 3.67Å; Y177-W195 HydrophobicContact CE1-CZ2 4.08Å; Y177-W195 AromaticContact CE2-CH2 4Å; Y177-W195 HydrophobicContact CE2-CH2 4Å; Y177-W195 AromaticContact CE2-CZ2 3.85Å; Y177-W195 HydrophobicContact CE2-CZ2 3.85Å; Y177-W195 AromaticContact CG-CH2 3.82Å; Y177-W195 HydrophobicContact CG-CH2 3.82Å; Y177-W195 HydrophobicContact CG-CZ2 4.49Å; Y177-W195 AromaticContact CZ-CH2 3.82Å; Y177-W195 AromaticContact CZ-CZ2 3.75Å; A180-W195 HydrophobicContact CB-CZ3 3.81Å; K187-W195 HydrophobicContact CB-CD2 4.44Å; K187-W195 HydrophobicContact CB-CE3 3.93Å; K187-W195 HydrophobicContact CB-CH2 4.16Å; K187-W195 HydrophobicContact CB-CZ3 3.79Å; K187-W195 HydrophobicContact CD-CH2 4.44Å; K187-W195 HydrophobicContact CG-CD2 4.3Å; K187-W195 HydrophobicContact CG-CE3 4.21Å; K187-W195 HydrophobicContact CG-CH2 3.9Å; K187-W195 HydrophobicContact CG-CZ2 3.96Å; K187-W195 HydrophobicContact CG-CZ3 4.02Å; P193-W195 HydrophobicContact CG-CZ2 4.41Å; P193-W195 VanDerWaalsContact O-CD1 3.26Å; P193-W195 PolarHBondContact O-NE1 3.5Å
196	K	87.3	Confident	63.5	Low	46 Å²	46	97.3 Å²	97.3	20%	0.2	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	167	176.1	68.5	-173.9	-173.4	-167.8	0	111.1	K154 A155 L185 Q186 E188	K154-K196 WeakPolarHBondContact O-CB 3.33Å; A155-K196 HydrophobicContact CB-CB 3.98Å; A155-K196 HydrophobicContact CB-CD 4.49Å; L185-K196 CarbonylContact C-O 3.49Å; L185-K196 VanDerWaalsContact CA-O 3.29Å; L185-K196 WeakPolarHBondContact CA-O 3.42Å; L185-K196 WeakPolarHBondContact CD2-O 3.35Å; Q186-K196 HydrophobicContact CB-CG 4.15Å; Q186-K196 PolarHBondContact N-O 2.97Å; Q186-K196 PolarHBondContact O-N 3.49Å; Q186-K196 VanDerWaalsContact O-N 3.09Å; E188-K196 WeakPolarHBondContact OE1-CD 3.46Å; E188-K196 WeakPolarHBondContact OE1-CE 3.31Å; E188-K196 IonicContact OE1-NZ 2.69Å; E188-K196 PolarHBondContact OE1-NZ 2.89Å
197	I	87.3	Confident	60.9	Low	58 Å²	58	99.6 Å²	99.6	30%	0.297	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.2	144.8	176.5	-71.7	167.3	0	0	0	110.9	L147 E148 L185	L147-I197 VanDerWaalsContact C-CD1 3.49Å; L147-I197 HydrophobicContact CB-CD1 3.71Å; L147-I197 HydrophobicContact CB-CG1 3.86Å; E148-I197 HydrophobicContact CB-CD1 4.22Å; E148-I197 HydrophobicContact CG-CD1 3.44Å; E148-I197 VanDerWaalsContact CG-CD1 3.44Å; L185-I197 HydrophobicContact CD2-CB 4.41Å; L185-I197 HydrophobicContact CD2-CG1 3.71Å
198	A	79.8	Confident	57.9	Low	38 Å²	38	100.4 Å²	100.4	31%	0.314	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-83.8	125.8	171.8	0	0	0	0	0	110.5	G183 K184	G183-A198 VanDerWaalsContact O-CB 3.26Å; G183-A198 WeakPolarHBondContact O-CB 3.4Å; K184-A198 PolarHBondContact O-N 2.74Å
199	V	69.8	Low	55.3	Low	116 Å²	116	101.3 Å²	101.3	70%	0.703	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-75	132.3	178	-178.9	0	0	0	0	110.1	T201	V199-T201 PolarHBondContact O-N 3.36Å
200	S	45.2	Very low	53.4	Low	104 Å²	104	102.9 Å²	102.9	73%	0.727	60%	0.601	S	S	*	*			trans	-90.4	94.8	-174.6	177.5	0	0	0	0	112.7	Q202	S200-Q202 PolarHBondContact O-N 2.9Å
201	T	34.8	Very low	51.3	Low	133 Å²	133	107 Å²	107	82%	0.816	62%	0.617	S	S	*	*			trans	-81.3	105.1	170.9	51.3	0	0	0	0	111.8	V199	V199-T201 PolarHBondContact O-N 3.36Å
202	Q	32.2	Very low	49.5	Very low	183 Å²	183	110.5 Å²	110.5	86%	0.855	61%	0.614	S	S	*	*			trans	-139.4	96.8	164.8	-80.9	-164.8	-21.9	0	0	111.3	S200	S200-Q202 PolarHBondContact O-N 2.9Å
203	A	30.5	Very low	48	Very low	93 Å²	93	112.5 Å²	112.5	77%	0.769	63%	0.627	S	S	*	*			trans	-175.2	98.2	151.1	0	0	0	0	0	111.7
204	W	25.5	Very low	45.2	Very low	263 Å²	263	118.4 Å²	118.4	100%	0.996	66%	0.657	S	S	*	*				-147.8	151.9	121.1	-135.4	-73.3	0	0	0	108.7
205	N	28	Very low	42.2	Very low	131 Å²	131	119 Å²	119	70%	0.701	68%	0.679	S	S	*	*			trans	-131.7	165.2	-161.3	-153.1	-5.4	0	0	0	111.5
206	Q	29.4	Very low	39.3	Very low	144 Å²	144	127.4 Å²	127.4	67%	0.673	72%	0.718	S	S	*	*			trans	80.8	130.6	153.4	-77.8	173.8	12.1	0	0	122.9
207	H	27.5	Very low	36.3	Very low	153 Å²	153	130.1 Å²	130.1	71%	0.708	74%	0.743	S	S	*	*			trans	79.4	109.5	138.8	-68.6	-51.6	0	0	0	123.6
208	S	26.7	Very low	33.4	Very low	121 Å²	121	136.5 Å²	136.5	85%	0.846	77%	0.771	S	S	*	*			trans	66.8	127.2	132.3	61	0	0	0	0	121.3
209	G	25.3	Very low	30.8	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	79%	0.793	S	S	*	*			trans	174.5	108.1	164.8	0	0	0	0	0	111.5
210	V	27.5	Very low	28.7	Very low	140 Å²	140	137.3 Å²	137.3	85%	0.848	80%	0.798	S	S	*	*			trans	-104.1	170.3	169.1	-176.1	0	0	0	0	107.7
211	V	25.6	Very low	28.5	Very low	128 Å²	128	137.4 Å²	137.4	78%	0.776	80%	0.796	S	S	*	*			trans	93.9	125.1	166.2	-174.5	0	0	0	0	115.9
212	R	28.3	Very low	28.1	Very low	222 Å²	222	138.3 Å²	138.3	84%	0.838	80%	0.796	S	S	*	*			trans	-85.5	151.5	156.7	-76.6	179.2	168.5	-174.2	-5.4	108.9
213	P	36	Very low	27.8	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	79%	0.792	S	S	*	*				-139.2	177.4	113	36.2	-23.7	0	0	0	114.4
214	D	25.3	Very low	27.6	Very low	150 Å²	150	137.6 Å²	137.6	80%	0.802	79%	0.794	S	S	*	*			trans	-78.8	174.1	178.8	-43	-92.4	0	0	0	112.5
215	G	25.5	Very low	28.3	Very low	79 Å²	79	130.2 Å²	130.2	81%	0.814	78%	0.78	S	S	*	*			trans	161.7	83.9	168.9	0	0	0	0	0	118.4
216	H	26.8	Very low	28.1	Very low	177 Å²	177	128 Å²	128	82%	0.819	77%	0.774	S	S	*	*			trans	-29.6	142.9	167	-75.5	-83	0	0	0	121.1
217	S	26.1	Very low	27.8	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	79%	0.785	S	S	*	*			trans	62	125.1	132.5	-55.6	0	0	0	0	121.8
218	Q	25.6	Very low	27.9	Very low	192 Å²	192	129.8 Å²	129.8	90%	0.897	79%	0.788	S	S	*	*				177	161.6	93.9	-91.7	-157.7	24.9	0	0	113.4
219	G	24.1	Very low	28.4	Very low	75 Å²	75	128.9 Å²	128.9	77%	0.773	78%	0.779	S	S	*	*			trans	79.8	95.8	139	0	0	0	0	0	120.4
220	A	27.3	Very low	28.3	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	78%	0.779	S	S	*	*			trans	-91.4	161.2	136.7	0	0	0	0	0	108.2
221	P	40.5	Very low	28.2	Very low	106 Å²	106	132.1 Å²	132.1	69%	0.688	77%	0.767	S	S	*	*				-154.5	162.4	86.6	41.2	-23.3	0	0	0	117.4
222	N	26.1	Very low	28.2	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	77%	0.766	S	S	*	*			trans	65.4	157.4	156.5	-52.4	-16.1	0	0	0	117.6
223	S	26.1	Very low	28	Very low	112 Å²	112	132 Å²	132	78%	0.783	76%	0.764	S	S	*	*			cis	-141.1	146.6	8.7	-44.3	0	0	0	0	112.5
224	D	26.5	Very low	27.5	Very low	149 Å²	149	130.5 Å²	130.5	80%	0.797	76%	0.756	S	S	*	*			trans	-80.4	173	151.3	-126.4	-34.9	0	0	0	108.6
225	P	39.7	Very low	27.4	Very low	109 Å²	109	130.2 Å²	130.2	71%	0.708	76%	0.76	S	S	*	*			cis	-152.2	155.2	47.9	44.3	-23.3	0	0	0	119.9
226	S	23.3	Very low	27.5	Very low	84 Å²	84	131.2 Å²	131.2	59%	0.587	76%	0.755	S	S	*	*			trans	48	129.7	134.6	71	0	0	0	0	122.7
227	L	25.1	Very low	27.4	Very low	169 Å²	169	128.9 Å²	128.9	89%	0.885	75%	0.752	S	S	*	*				176.9	137.6	97.4	-92	174.4	0	0	0	113.5
228	E	28.4	Very low	27.2	Very low	166 Å²	166	129.4 Å²	129.4	78%	0.776	76%	0.756	S	S	*	*			trans	-77.8	166.1	157.3	-78.6	-76.8	153.9	0	0	109.4
229	P	36.6	Very low	27.3	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	76%	0.755	S	S	*	*			cis	-150	-174	37.8	44	-22.6	0	0	0	118.3
230	E	25	Very low	27.4	Very low	175 Å²	175	133.1 Å²	133.1	82%	0.818	76%	0.759	S	S	*	*			trans	32.1	139.6	142.5	-65.8	178.2	170.4	0	0	120.2
231	D	23.9	Very low	27.3	Very low	112 Å²	112	135.7 Å²	135.7	60%	0.599	76%	0.758	S	S	*	*			cis	-166.2	171.6	33.3	-160.7	-3.8	0	0	0	112.2
232	R	26.3	Very low	26.6	Very low	198 Å²	198	138 Å²	138	75%	0.747	76%	0.764	S	S	*	*			trans	61.5	115.2	152.5	-87.7	166.6	-127.9	-137.6	-5.4	123.5
233	N	24.9	Very low	26.4	Very low	148 Å²	148	139 Å²	139	79%	0.791	76%	0.764	S	S	*	*				60.5	151.3	124.8	-79.7	4.2	0	0	0	123.2
234	S	23.8	Very low	27.2	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	75%	0.753	S	S	*	*			cis	177.5	121.7	-31.9	49.9	0	0	0	0	110.1
235	T	25.1	Very low	27.1	Very low	144 Å²	144	140.6 Å²	140.6	88%	0.883	76%	0.759	S	S	*	*			trans	-159.1	145.8	152.8	6.1	0	0	0	0	113.6
236	S	26.3	Very low	26.3	Very low	100 Å²	100	143 Å²	143	70%	0.699	76%	0.764	S	S	*	*			trans	-37.9	165.6	170.2	53.5	0	0	0	0	117.4
237	V	24.4	Very low	26.3	Very low	128 Å²	128	143.2 Å²	143.2	78%	0.776	77%	0.771	S	S	*	*			cis	-151.1	141.9	37.7	-162.3	0	0	0	0	113.9
238	S	23.3	Very low	26.2	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	77%	0.771	S	S	*	*			trans	-157.9	165.8	144	-81.4	0	0	0	0	110.3
239	E	26.6	Very low	25.9	Very low	186 Å²	186	139.1 Å²	139.1	87%	0.869	77%	0.768	S	S	*	*			trans	-42	145.6	179.9	-61.4	153.6	146.9	0	0	113.5
240	D	26.1	Very low	25.3	Very low	160 Å²	160	138.4 Å²	138.4	86%	0.856	77%	0.771	S	S	*	*				-157.4	172.8	50.8	-141.2	-24.3	0	0	0	113.4
241	L	25.1	Very low	25.3	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	77%	0.77	S	S	*	*			trans	-108.5	126.2	-166.8	-74	172.1	0	0	0	117.8
242	L	25.7	Very low	25.4	Very low	156 Å²	156	137.4 Å²	137.4	82%	0.817	78%	0.779	S	S	*	*			trans	60.3	101.6	137.2	-67.5	171.9	0	0	0	121.9
243	E	22.4	Very low	25.2	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	78%	0.779	S	S	*	*			trans	-55.6	-177.2	130.8	-114.5	-171.1	-149.4	0	0	113
244	P	43.1	Very low	25.2	Very low	86 Å²	86	136.3 Å²	136.3	56%	0.558	77%	0.773	S	S	*	*			cis	-133.6	-161.2	-20.3	35.7	-16.1	0	0	0	111.6
245	F	23.6	Very low	25.3	Very low	208 Å²	208	138.8 Å²	138.8	91%	0.912	78%	0.775	S	S	*	*			trans	-156.8	151.3	131.8	-118.4	-75.6	0	0	0	112.9
246	I	23	Very low	25.4	Very low	158 Å²	158	139 Å²	139	81%	0.81	77%	0.766	S	S	*	*			trans	-108.6	162.2	-175.9	-74	175.8	0	0	0	111.3
247	A	24.4	Very low	25.2	Very low	89 Å²	89	139 Å²	139	74%	0.736	77%	0.766	S	S	*	*			trans	-80.6	-178.9	-174.5	0	0	0	0	0	115.1
248	V	22.5	Very low	25.2	Very low	149 Å²	149	144.1 Å²	144.1	90%	0.903	77%	0.771	S	S	*	*			trans	135.1	145.2	172.4	157.8	0	0	0	0	108.6
249	S	22.9	Very low	25.3	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	77%	0.769	S	S	*	*			cis	-171.8	169.5	-29.9	-170.3	0	0	0	0	108.4
250	A	23.5	Very low	25.2	Very low	87 Å²	87	142.5 Å²	142.5	72%	0.719	77%	0.769	S	S	*	*			trans	64	164.5	158.4	0	0	0	0	0	119.2
251	Q	24.3	Very low	25.4	Very low	169 Å²	169	145.7 Å²	145.7	79%	0.79	77%	0.769	S	S	*	*			cis	-167.3	127.3	-48.8	-124.5	178.7	-3.7	0	0	110.1
252	A	25.2	Very low	26.1	Very low	96 Å²	96	143.2 Å²	143.2	79%	0.793	76%	0.762	S	S	*	*			trans	-170.4	114.8	154.2	0	0	0	0	0	107.1
253	W	24	Very low	26.1	Very low	200 Å²	200	142.4 Å²	142.4	76%	0.758	76%	0.758	S	S	*	*				90.1	133.5	51.4	-84.9	63	0	0	0	114.9
254	N	24.1	Very low	26.3	Very low	123 Å²	123	140 Å²	140	66%	0.658	76%	0.761	S	S	*	*			trans	71.3	145.6	172.2	-62.8	-8.6	0	0	0	119.7
255	Q	26.5	Very low	25.6	Very low	139 Å²	139	145 Å²	145	65%	0.65	78%	0.776	S	S	*	*			cis	-172.3	158.8	-43	-121.5	176.1	17.5	0	0	109.8
256	H	25.4	Very low	25.8	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.685	77%	0.773	S	S	*	*			trans	60.7	121.2	160.2	-74.5	-60.8	0	0	0	118.6
257	S	23.4	Very low	26	Very low	100 Å²	100	143 Å²	143	70%	0.699	78%	0.78	S	S	*	*				74.3	147.1	82.1	-57.1	0	0	0	0	113.9
258	R	24	Very low	26	Very low	235 Å²	235	142.7 Å²	142.7	89%	0.887	79%	0.785	S	S	*	*			cis	-151.6	156.6	7.7	-143.5	175.3	-176.2	178.7	-0.6	112.3
259	V	26.3	Very low	26.2	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	78%	0.781	S	S	*	*			trans	-35	141	154.2	175.2	0	0	0	0	114.1
260	V	23.8	Very low	27.2	Very low	141 Å²	141	141 Å²	141	86%	0.855	78%	0.778	S	S	*	*			trans	-158.5	126	135.9	133.6	0	0	0	0	111.3
261	R	29.6	Very low	27.3	Very low	226 Å²	226	143.8 Å²	143.8	85%	0.853	78%	0.781	S	S	*	*			trans	-96.3	161.9	148.7	-89.7	-173	178.2	-176.8	-0.4	105.8
262	P	40.5	Very low	27.5	Very low	98 Å²	98	141.4 Å²	141.4	64%	0.636	78%	0.782	S	S	*	*			cis	-153.8	-165.7	37.4	48.2	-27.5	0	0	0	116.9
263	D	25.1	Very low	27.6	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	78%	0.784	S	S	*	*			trans	45.4	131.4	146	-50.7	-26.3	0	0	0	123.4
264	S	27.3	Very low	28.5	Very low	122 Å²	122	140.9 Å²	140.9	85%	0.853	79%	0.788	S	S	*	*				-167.3	162.2	104.2	26.8	0	0	0	0	112.3
265	H	27.3	Very low	28.5	Very low	189 Å²	189	138.6 Å²	138.6	88%	0.875	79%	0.793	S	S	*	*			trans	-92.4	152.8	-173.2	-55.1	-100.7	0	0	0	113.6
266	S	28.2	Very low	28.5	Very low	123 Å²	123	139.9 Å²	139.9	86%	0.86	80%	0.804	S	S	*	*			trans	-159.8	154.5	134.7	50.8	0	0	0	0	111.4
267	Q	26.9	Very low	28.6	Very low	202 Å²	202	140.8 Å²	140.8	94%	0.944	81%	0.809	S	S	*	*			trans	-92.4	159.9	179.9	-65	176	-32.8	0	0	111.6
268	G	24.8	Very low	29.5	Very low	83 Å²	83	141 Å²	141	86%	0.856	81%	0.808	S	S	*	*			trans	178.1	115.4	167.1	0	0	0	0	0	115.2
269	S	26.2	Very low	29.7	Very low	117 Å²	117	138.7 Å²	138.7	82%	0.818	81%	0.807	S	S	*	*			trans	-155.8	171.2	165.2	72.4	0	0	0	0	107.9
270	P	44.8	Very low	29.8	Very low	97 Å²	97	140.3 Å²	140.3	63%	0.63	81%	0.811	S	S	*	*			cis	-137.2	-168.9	-1.2	41.9	-23.6	0	0	0	115.2
271	N	26.1	Very low	30	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	81%	0.812	S	S	*	*			trans	80.6	145.1	149.9	-65	-12.8	0	0	0	123.9
272	S	26.9	Very low	29.8	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	82%	0.815	S	S	*	*			trans	101.7	114.4	145.7	-28.4	0	0	0	0	120.9
273	D	28.9	Very low	29.1	Very low	157 Å²	157	137.9 Å²	137.9	84%	0.84	82%	0.824	S	S	*	*			trans	-70.7	-179.6	146.7	-76.3	-60.6	0	0	0	111.5
274	P	42.2	Very low	29	Very low	128 Å²	128	137.8 Å²	137.8	83%	0.831	83%	0.829	S	S	*	*			cis	-132.8	176.6	-7.8	38.1	-21.2	0	0	0	115.8
275	G	23.5	Very low	28.9	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	83%	0.827	S	S	*	*			trans	135	110.4	139.7	0	0	0	0	0	121.6
276	L	27.8	Very low	28.8	Very low	166 Å²	166	133.3 Å²	133.3	87%	0.869	83%	0.825	S	S	*	*			trans	32.1	120.3	142.8	-57.7	172.1	0	0	0	123.1
277	E	27.1	Very low	28.8	Very low	168 Å²	168	135.8 Å²	135.8	79%	0.785	83%	0.828	S	S	*	*				37.7	150	127.4	-57.5	-57.9	142.9	0	0	122.9
278	P	43.1	Very low	28.8	Very low	105 Å²	105	135.5 Å²	135.5	68%	0.682	83%	0.827	S	S	*	*			cis	-139.6	-163.6	-6.5	34.2	-9.8	0	0	0	115.6
279	E	28.1	Very low	28.8	Very low	185 Å²	185	138.6 Å²	138.6	86%	0.864	82%	0.823	S	S	*	*			trans	92.3	111.2	160.7	-56.5	-146.3	151.8	0	0	122.3
280	D	26.6	Very low	29	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	82%	0.822	S	S	*	*			trans	9.1	129.8	148.7	-66.9	-0.2	0	0	0	123.3
281	S	28.5	Very low	28.2	Very low	126 Å²	126	141.5 Å²	141.5	88%	0.881	83%	0.83	S	S	*	*				-167.4	157.8	118.3	32.8	0	0	0	0	113
282	N	25.3	Very low	28.7	Very low	170 Å²	170	143.7 Å²	143.7	91%	0.909	84%	0.836	S	S	*	*			trans	-85.4	140.9	-168.2	-76.8	-63.2	0	0	0	115.3
283	S	25.7	Very low	29.3	Very low	119 Å²	119	148.1 Å²	148.1	83%	0.832	84%	0.84	S	S	*	*			trans	-155.7	135	144.7	65	0	0	0	0	112.5
284	T	23.6	Very low	30.3	Very low	138 Å²	138	143.3 Å²	143.3	85%	0.847	82%	0.815	S	S	*	*			trans	-98.7	137.7	-175.1	49.5	0	0	0	0	114.1
285	S	26.1	Very low	32	Very low	116 Å²	116	142 Å²	142	81%	0.811	80%	0.8	S	S	*	*			trans	-172.7	129.2	134.7	58.7	0	0	0	0	114.5
286	A	24.8	Very low	34.3	Very low	101 Å²	101	143.2 Å²	143.2	84%	0.835	79%	0.787	S	S	*	*			trans	34.9	118.3	150.2	0	0	0	0	0	121.3
287	L	28.3	Very low	36.7	Very low	175 Å²	175	138.2 Å²	138.2	92%	0.916	77%	0.77	S	S	*	*			trans	-98	147.8	155	-71.5	165.1	0	0	0	109.9
288	E	26.4	Very low	39.4	Very low	196 Å²	196	133.9 Å²	133.9	92%	0.916	75%	0.75	S	S	*	*			trans	-94.2	135.1	160.2	-72.9	-162.2	141.4	0	0	110
289	D	24.7	Very low	41.4	Very low	148 Å²	148	129.4 Å²	129.4	79%	0.791	72%	0.72	S	S	*	*			trans	-128.2	113.3	-167.7	-157.9	6	0	0	0	112.5	L291	D289-L291 PolarHBondContact O-N 3.15Å
290	P	31.3	Very low	44.3	Very low	120 Å²	120	123.1 Å²	123.1	78%	0.779	69%	0.689	S	S	*	*			trans	-78.4	69.4	-175	-20.9	36.1	0	0	0	117.5
291	L	28	Very low	47.2	Very low	155 Å²	155	120.1 Å²	120.1	81%	0.812	67%	0.67	S	S	*	*			trans	58.6	113.4	145.8	-59.3	171.9	0	0	0	120.2	D289	D289-L291 PolarHBondContact O-N 3.15Å
292	E	35.7	Very low	50.1	Low	191 Å²	191	117.7 Å²	117.7	89%	0.893	64%	0.644	S	S	*	*			trans	-72.5	163.4	164.5	-60.5	-168.1	117.9	0	0	114.1
293	F	39.5	Very low	53.1	Low	211 Å²	211	109.6 Å²	109.6	93%	0.925	60%	0.601	S	S	*	*			trans	-92.6	110.8	170.9	-83.6	-89.5	0	0	0	111.8
294	L	50.7	Low	56	Low	57 Å²	57	104.3 Å²	104.3	30%	0.298	56%	0.564	S	S	.	*			trans	-54.2	147.7	177.3	-66.7	163.5	0	0	0	114.1	E298 I299 L324	L294-E298 WeakPolarHBondContact CD2-OE1 3.48Å; L294-E298 VanDerWaalsContact CD2-OE2 3.3Å; L294-E298 WeakPolarHBondContact CD2-OE2 3.46Å; L294-I299 HydrophobicContact CB-CD1 4.02Å; L294-I299 HydrophobicContact CB-CG1 3.88Å; L294-L324 HydrophobicContact CD1-CD2 4.23Å; L294-L324 HydrophobicContact CD1-CG 4.44Å
295	D	76.4	Confident	58.9	Low	99 Å²	99	100.4 Å²	100.4	53%	0.529	54%	0.538	S	S	.	.			trans	-76.2	152.2	176.9	-179.8	51.9	0	0	0	113.3	A297 E298 I299	D295-A297 VanDerWaalsContact C-N 3.28Å; D295-A297 PolarHBondContact O-N 3.17Å; D295-A297 WeakPolarHBondContact OD2-CB 3.3Å; D295-A297 PolarHBondContact OD2-N 2.97Å; D295-E298 HydrophobicContact CB-CB 4.45Å; D295-E298 PolarHBondContact O-N 3.36Å; D295-I299 VanDerWaalsContact O-CG1 3.29Å; D295-I299 WeakPolarHBondContact O-CG1 3.2Å; D295-I299 PolarHBondContact O-N 2.85Å
296	M	73.3	Confident	61.8	Low	101 Å²	101	97.5 Å²	97.5	50%	0.498	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-24.5	179.8	-65.9	-74.7	-78	0	0	113.4	K300 V333	M296-K300 VanDerWaalsContact O-CG 3.3Å; M296-K300 WeakPolarHBondContact O-CG 3.42Å; M296-K300 PolarHBondContact O-N 3.17Å; M296-V333 HydrophobicContact CE-CG2 3.55Å; M296-V333 HydrophobicContact SD-CG2 3.7Å
297	A	77.6	Confident	64.8	Low	61 Å²	61	92.7 Å²	92.7	50%	0.504	47%	0.47	S	S	.	.	H	α-helix	trans	-76.1	-40.6	171.5	0	0	0	0	0	111.6	D295 K300 E301	D295-A297 VanDerWaalsContact C-N 3.28Å; D295-A297 PolarHBondContact O-N 3.17Å; D295-A297 WeakPolarHBondContact OD2-CB 3.3Å; D295-A297 PolarHBondContact OD2-N 2.97Å; A297-K300 WeakPolarHBondContact O-CB 3.48Å; A297-K300 PolarHBondContact O-N 3.09Å; A297-E301 PolarHBondContact O-N 2.75Å
298	E	83.4	Confident	67.4	Low	78 Å²	78	85.6 Å²	85.6	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-42	178.1	-165.5	-169.4	166.8	0	0	111.8	L294 D295 K300 E301 K302	L294-E298 WeakPolarHBondContact CD2-OE1 3.48Å; L294-E298 VanDerWaalsContact CD2-OE2 3.3Å; L294-E298 WeakPolarHBondContact CD2-OE2 3.46Å; D295-E298 HydrophobicContact CB-CB 4.45Å; D295-E298 PolarHBondContact O-N 3.36Å; E298-K300 VanDerWaalsContact C-N 3.28Å; E298-K300 PolarHBondContact O-N 3.31Å; E298-E301 PolarHBondContact O-N 3.33Å; E298-K302 HydrophobicContact CG-CD 4.44Å; E298-K302 WeakPolarHBondContact O-CG 3.21Å; E298-K302 PolarHBondContact O-N 3.44Å; E298-K302 WeakPolarHBondContact OE1-CE 3.32Å; E298-K302 IonicContact OE1-NZ 3.28Å; E298-K302 PolarHBondContact OE1-NZ 3.38Å
299	I	86.2	Confident	70	Confident	11 Å²	11	81.8 Å²	81.8	6%	0.056	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-39	172.4	-66.7	165.3	0	0	0	110.5	L294 D295 I303 I322 L324 I330 V333	L294-I299 HydrophobicContact CB-CD1 4.02Å; L294-I299 HydrophobicContact CB-CG1 3.88Å; D295-I299 VanDerWaalsContact O-CG1 3.29Å; D295-I299 WeakPolarHBondContact O-CG1 3.2Å; D295-I299 PolarHBondContact O-N 2.85Å; I299-I303 HydrophobicContact CG2-CD1 3.77Å; I299-I303 HydrophobicContact CG2-CG1 4.46Å; I299-I303 WeakPolarHBondContact O-CB 3.12Å; I299-I303 WeakPolarHBondContact O-CD1 3.37Å; I299-I303 WeakPolarHBondContact O-CG1 3.31Å; I299-I303 PolarHBondContact O-N 3.25Å; I299-I322 HydrophobicContact CG2-CD1 3.92Å; I299-L324 HydrophobicContact CD1-CD1 4.23Å; I299-L324 HydrophobicContact CG1-CD1 4.39Å; I299-I330 HydrophobicContact CG2-CG2 4.29Å; I299-V333 HydrophobicContact CG2-CB 4.37Å; I299-V333 HydrophobicContact CG2-CG1 4.25Å; I299-V333 HydrophobicContact CG2-CG2 3.95Å
300	K	88.2	Confident	72.7	Confident	52 Å²	52	77.2 Å²	77.2	23%	0.226	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-46.7	173.4	-79.8	-179.4	175.8	-170.9	0	111.8	M296 A297 E298 I303 C304 V333 D336 M337	M296-K300 VanDerWaalsContact O-CG 3.3Å; M296-K300 WeakPolarHBondContact O-CG 3.42Å; M296-K300 PolarHBondContact O-N 3.17Å; A297-K300 WeakPolarHBondContact O-CB 3.48Å; A297-K300 PolarHBondContact O-N 3.09Å; E298-K300 VanDerWaalsContact C-N 3.28Å; E298-K300 PolarHBondContact O-N 3.31Å; K300-I303 PolarHBondContact O-N 3.39Å; K300-C304 WeakPolarHBondContact O-CB 3.44Å; K300-C304 PolarHBondContact O-N 3.16Å; K300-C304 PolarHBondContact O-SG 2.85Å; K300-V333 HydrophobicContact CB-CG1 4.47Å; K300-V333 HydrophobicContact CD-CG1 4.46Å; K300-V333 HydrophobicContact CG-CG1 3.42Å; K300-V333 VanDerWaalsContact CG-CG1 3.42Å; K300-D336 WeakPolarHBondContact CE-OD2 3.5Å; K300-D336 IonicContact NZ-OD2 3.63Å; K300-D336 PolarHBondContact NZ-OD2 3.28Å; K300-M337 HydrophobicContact CB-SD 4.39Å; K300-M337 HydrophobicContact CD-CG 4.37Å; K300-M337 HydrophobicContact CG-CG 4.16Å; K300-M337 HydrophobicContact CG-SD 3.89Å
301	E	87.6	Confident	74.4	Confident	97 Å²	97	75.1 Å²	75.1	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-46.3	-179.3	-169	146.5	-132.7	0	0	111.4	A297 E298 I303 C304 D305 K366	A297-E301 PolarHBondContact O-N 2.75Å; E298-E301 PolarHBondContact O-N 3.33Å; E301-I303 PolarHBondContact O-N 3.07Å; E301-C304 WeakPolarHBondContact O-CA 3.37Å; E301-C304 WeakPolarHBondContact O-CB 3.45Å; E301-C304 PolarHBondContact O-N 3.37Å; E301-D305 PolarHBondContact O-N 3.15Å; E301-K366 IonicContact OE1-NZ 2.61Å; E301-K366 PolarHBondContact OE1-NZ 2.73Å
302	K	89.3	Confident	76.9	Confident	75 Å²	75	71.1 Å²	71.1	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-38.8	175.4	-67.7	178.3	-176.9	173.3	0	113.3	E298 Y306 I322	E298-K302 HydrophobicContact CG-CD 4.44Å; E298-K302 WeakPolarHBondContact O-CG 3.21Å; E298-K302 PolarHBondContact O-N 3.44Å; E298-K302 WeakPolarHBondContact OE1-CE 3.32Å; E298-K302 IonicContact OE1-NZ 3.28Å; E298-K302 PolarHBondContact OE1-NZ 3.38Å; K302-Y306 WeakPolarHBondContact O-CB 3.34Å; K302-Y306 PolarHBondContact O-N 2.93Å; K302-Y306 VanDerWaalsContact O-N 3.1Å; K302-I322 HydrophobicContact CB-CB 3.96Å; K302-I322 HydrophobicContact CB-CG2 3.75Å; K302-I322 HydrophobicContact CD-CB 4.48Å
303	I	88.8	Confident	79.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-40.6	172.4	-72.1	169.6	0	0	0	111.1	I299 K300 E301 L307 I322 I330 V333 L334 M337	I299-I303 HydrophobicContact CG2-CD1 3.77Å; I299-I303 HydrophobicContact CG2-CG1 4.46Å; I299-I303 WeakPolarHBondContact O-CB 3.12Å; I299-I303 WeakPolarHBondContact O-CD1 3.37Å; I299-I303 WeakPolarHBondContact O-CG1 3.31Å; I299-I303 PolarHBondContact O-N 3.25Å; K300-I303 PolarHBondContact O-N 3.39Å; E301-I303 PolarHBondContact O-N 3.07Å; I303-L307 HydrophobicContact CG2-CD1 3.88Å; I303-L307 WeakPolarHBondContact O-CB 3.38Å; I303-L307 WeakPolarHBondContact O-CG 3.08Å; I303-L307 PolarHBondContact O-N 2.99Å; I303-I322 HydrophobicContact CD1-CD1 4.1Å; I303-I322 HydrophobicContact CG1-CD1 3.66Å; I303-I330 HydrophobicContact CD1-CB 4.21Å; I303-I330 HydrophobicContact CD1-CD1 4.39Å; I303-V333 HydrophobicContact CD1-CB 4.37Å; I303-V333 HydrophobicContact CD1-CG1 4Å; I303-L334 HydrophobicContact CD1-CD2 4.24Å; I303-L334 HydrophobicContact CD1-CG 4.41Å; I303-L334 HydrophobicContact CG2-CD2 3.81Å; I303-M337 HydrophobicContact CG2-CE 3.97Å; I303-M337 HydrophobicContact CG2-SD 4.08Å
304	C	85.3	Confident	81.7	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-49	178.2	-67.6	0	0	0	0	111.7	K300 E301 Y306 L307 F308 M337 K359 M363	K300-C304 WeakPolarHBondContact O-CB 3.44Å; K300-C304 PolarHBondContact O-N 3.16Å; K300-C304 PolarHBondContact O-SG 2.85Å; E301-C304 WeakPolarHBondContact O-CA 3.37Å; E301-C304 WeakPolarHBondContact O-CB 3.45Å; E301-C304 PolarHBondContact O-N 3.37Å; C304-Y306 VanDerWaalsContact C-N 3.33Å; C304-Y306 PolarHBondContact O-N 3.4Å; C304-L307 PolarHBondContact O-N 3.07Å; C304-F308 VanDerWaalsContact O-CB 3.29Å; C304-F308 WeakPolarHBondContact O-CB 3.43Å; C304-F308 PolarHBondContact O-N 3.11Å; C304-M337 WeakPolarHBondContact SG-CE 3.48Å; C304-K359 WeakPolarHBondContact SG-CE 3.49Å; C304-K359 PolarHBondContact SG-NZ 3.23Å; C304-M363 HydrophobicContact CB-CE 3.94Å; C304-M363 HydrophobicContact CB-SD 3.72Å
305	D	85.4	Confident	83.4	Confident	55 Å²	55	51.1 Å²	51.1	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-34.5	-179.5	-77.3	-53.3	0	0	0	112.4	E301 N309 M363 R367	E301-D305 PolarHBondContact O-N 3.15Å; D305-N309 PolarHBondContact O-N 3.35Å; D305-M363 WeakPolarHBondContact OD1-CE 3.31Å; D305-R367 IonicContact OD1-CZ 3.89Å; D305-R367 IonicContact OD1-NE 2.71Å; D305-R367 IonicContact OD1-NH2 2.91Å; D305-R367 PolarHBondContact OD1-NH2 2.8Å
306	Y	87.8	Confident	83.9	Confident	55 Å²	55	50.1 Å²	50.1	22%	0.216	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-50.5	172.1	-171.1	-82.8	0	0	0	112.1	K302 C304 F308 N309 V310 L318 N321	K302-Y306 WeakPolarHBondContact O-CB 3.34Å; K302-Y306 PolarHBondContact O-N 2.93Å; K302-Y306 VanDerWaalsContact O-N 3.1Å; C304-Y306 VanDerWaalsContact C-N 3.33Å; C304-Y306 PolarHBondContact O-N 3.4Å; Y306-F308 PolarHBondContact O-N 2.86Å; Y306-N309 PolarHBondContact O-N 3.24Å; Y306-N309 VanDerWaalsContact O-N 3.11Å; Y306-V310 HydrophobicContact CD1-CB 4.23Å; Y306-V310 HydrophobicContact CD1-CG2 4.37Å; Y306-V310 HydrophobicContact CE1-CB 3.76Å; Y306-V310 HydrophobicContact CE1-CG1 4.12Å; Y306-V310 HydrophobicContact CE1-CG2 3.83Å; Y306-V310 HydrophobicContact CE2-CG2 4.24Å; Y306-V310 PolarHBondContact O-N 2.8Å; Y306-L318 HydrophobicContact CD1-CD2 3.45Å; Y306-L318 VanDerWaalsContact CD1-CD2 3.45Å; Y306-L318 HydrophobicContact CE1-CD2 4.03Å; Y306-L318 HydrophobicContact CG-CD2 4.18Å; Y306-N321 HydrophobicContact CD2-CB 3.62Å; Y306-N321 HydrophobicContact CE2-CB 3.34Å; Y306-N321 PolarHBondContact OH-ND2 3.48Å
307	L	86.6	Confident	84.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-72.9	-9.6	178.6	-68.6	175.9	0	0	0	113.9	I303 C304 V310 L318 V343 W353 R360	I303-L307 HydrophobicContact CG2-CD1 3.88Å; I303-L307 WeakPolarHBondContact O-CB 3.38Å; I303-L307 WeakPolarHBondContact O-CG 3.08Å; I303-L307 PolarHBondContact O-N 2.99Å; C304-L307 PolarHBondContact O-N 3.07Å; L307-V310 CarbonylContact C-O 3.57Å; L307-V310 VanDerWaalsContact CA-O 3.32Å; L307-V310 WeakPolarHBondContact CA-O 3.32Å; L307-L318 HydrophobicContact CD1-CD1 4.38Å; L307-L318 HydrophobicContact CD1-CD2 4.36Å; L307-L318 HydrophobicContact CD2-CD1 4.42Å; L307-L318 HydrophobicContact CD2-CD2 3.88Å; L307-L318 HydrophobicContact CG-CD2 3.85Å; L307-V343 HydrophobicContact CD1-CG1 3.86Å; L307-W353 WeakPolarHBondContact CD2-O 3.06Å; L307-R360 PolarHBondContact O-NH2 2.89Å
308	F	84.3	Confident	85	Confident	25 Å²	25	46 Å²	46	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-75.2	-46.9	165.5	-169.6	-78.3	0	0	0	110.3	C304 Y306 R360 M363 R367	C304-F308 VanDerWaalsContact O-CB 3.29Å; C304-F308 WeakPolarHBondContact O-CB 3.43Å; C304-F308 PolarHBondContact O-N 3.11Å; Y306-F308 PolarHBondContact O-N 2.86Å; F308-R360 HydrophobicContact CD2-CG 4.2Å; F308-R360 HydrophobicContact CE2-CG 3.89Å; F308-R360 WeakPolarHBondContact CE2-O 3.46Å; F308-R360 PolarHBondContact O-NH1 3.29Å; F308-M363 HydrophobicContact CB-CE 3.94Å; F308-M363 HydrophobicContact CB-SD 4.37Å; F308-M363 HydrophobicContact CD2-CB 3.56Å; F308-M363 HydrophobicContact CD2-CE 4.03Å; F308-M363 HydrophobicContact CD2-CG 4.37Å; F308-M363 HydrophobicContact CD2-SD 3.97Å; F308-M363 HydrophobicContact CE2-CB 3.59Å; F308-M363 HydrophobicContact CG-CE 4.22Å; F308-R367 VanDerWaalsContact CD1-NH1 3.25Å; F308-R367 VanDerWaalsContact CE1-NH1 3.34Å
309	N	79.8	Confident	85.2	Confident	117 Å²	117	42.3 Å²	42.3	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	-81.4	-26.8	-176.9	-63.2	-7.7	0	0	0	113.1	D305 Y306 R367	D305-N309 PolarHBondContact O-N 3.35Å; Y306-N309 PolarHBondContact O-N 3.24Å; Y306-N309 VanDerWaalsContact O-N 3.11Å; N309-R367 PolarHBondContact OD1-NH1 2.85Å
310	V	81.7	Confident	85.3	Confident	51 Å²	51	48.2 Å²	48.2	31%	0.309	25%	0.249	S	C	.	.	S	Bend	trans	-119.7	127.6	178.4	-175	0	0	0	0	109.2	Y306 L307 D312	Y306-V310 HydrophobicContact CD1-CB 4.23Å; Y306-V310 HydrophobicContact CD1-CG2 4.37Å; Y306-V310 HydrophobicContact CE1-CB 3.76Å; Y306-V310 HydrophobicContact CE1-CG1 4.12Å; Y306-V310 HydrophobicContact CE1-CG2 3.83Å; Y306-V310 HydrophobicContact CE2-CG2 4.24Å; Y306-V310 PolarHBondContact O-N 2.8Å; L307-V310 CarbonylContact C-O 3.57Å; L307-V310 VanDerWaalsContact CA-O 3.32Å; L307-V310 WeakPolarHBondContact CA-O 3.32Å; V310-D312 VanDerWaalsContact C-N 3.28Å; V310-D312 WeakPolarHBondContact CG1-O 3.47Å; V310-D312 PolarHBondContact O-N 3.24Å
311	S	67.8	Low	85.1	Confident	76 Å²	76	50.3 Å²	50.3	53%	0.531	26%	0.263	S	S	.	.	S	Bend	trans	-59.7	-33.5	-173.7	36.7	0	0	0	0	114.8	H354	S311-H354 PolarHBondContact O-ND1 2.69Å
312	D	79.7	Confident	85	Confident	71 Å²	71	46.4 Å²	46.4	38%	0.38	24%	0.244	S	C	.	.			trans	-159.7	140.6	-164.6	64.8	-71.5	0	0	0	110.6	V310 I352 W353 H354	V310-D312 VanDerWaalsContact C-N 3.28Å; V310-D312 WeakPolarHBondContact CG1-O 3.47Å; V310-D312 PolarHBondContact O-N 3.24Å; D312-I352 HydrophobicContact CB-CG2 3.73Å; D312-W353 WeakPolarHBondContact CA-O 3.23Å; D312-H354 WeakPolarHBondContact CB-CE1 3.45Å; D312-H354 VanDerWaalsContact CB-ND1 3.33Å; D312-H354 WeakPolarHBondContact CB-ND1 3.32Å
313	S	85.7	Confident	84.6	Confident	8 Å²	8	45.9 Å²	45.9	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	149.5	178.2	-167.7	0	0	0	0	113.6	N317 W353	S313-N317 WeakPolarHBondContact OG-CB 3.39Å; S313-W353 PolarHBondContact N-O 3.43Å; S313-W353 PolarHBondContact O-N 3.18Å
314	S	89.5	Confident	84.4	Confident	23 Å²	23	47.5 Å²	47.5	16%	0.161	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	152.8	174.2	80	0	0	0	0	111.3	L316 N317 L318	S314-L316 PolarHBondContact O-N 2.96Å; S314-L316 VanDerWaalsContact O-N 3.08Å; S314-N317 PolarHBondContact O-N 3.02Å; S314-N317 PolarHBondContact OG-N 3.42Å; S314-L318 PolarHBondContact O-N 2.99Å
315	A	87.1	Confident	84	Confident	8 Å²	8	52 Å²	52	7%	0.066	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-20.5	177.2	0	0	0	0	0	114.1	A319 A327 I330 N331 L334	A315-A319 WeakPolarHBondContact O-CB 3.33Å; A315-A319 PolarHBondContact O-N 2.79Å; A315-A327 HydrophobicContact CB-CB 4.08Å; A315-A327 WeakPolarHBondContact O-CA 3.36Å; A315-I330 HydrophobicContact CB-CD1 4.45Å; A315-I330 VanDerWaalsContact O-CD1 3.29Å; A315-I330 WeakPolarHBondContact O-CD1 3.3Å; A315-N331 VanDerWaalsContact CB-OD1 3.28Å; A315-N331 WeakPolarHBondContact CB-OD1 3.47Å; A315-L334 HydrophobicContact CB-CD1 3.92Å
316	L	87.4	Confident	83.9	Confident	78 Å²	78	54.2 Å²	54.2	41%	0.408	30%	0.304	S	S	.	.	H	α-helix	trans	-79.9	-39	173.6	-174.1	62	0	0	0	112	S314 A319 K320 A327	S314-L316 PolarHBondContact O-N 2.96Å; S314-L316 VanDerWaalsContact O-N 3.08Å; L316-A319 PolarHBondContact O-N 2.86Å; L316-K320 WeakPolarHBondContact O-CG 3.33Å; L316-K320 PolarHBondContact O-N 3.13Å; L316-K320 VanDerWaalsContact O-N 3.15Å; L316-A327 HydrophobicContact CB-CB 4.11Å; L316-A327 HydrophobicContact CD1-CB 4.23Å
317	N	84.8	Confident	83.7	Confident	76 Å²	76	52.8 Å²	52.8	41%	0.406	30%	0.303	S	S	.	.	H	α-helix	trans	-71	-41.3	177.3	-69.2	-0.9	0	0	0	110.6	S313 S314 A319 K320 N321	S313-N317 WeakPolarHBondContact OG-CB 3.39Å; S314-N317 PolarHBondContact O-N 3.02Å; S314-N317 PolarHBondContact OG-N 3.42Å; N317-A319 PolarHBondContact O-N 3.15Å; N317-K320 PolarHBondContact O-N 2.87Å; N317-N321 PolarHBondContact O-N 2.8Å; N317-N321 PolarHBondContact O-ND2 3.28Å
318	L	87.9	Confident	83.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-56.4	-48	171.5	-76.4	167	0	0	0	111.8	Y306 L307 S314 K320 N321 I322 I330 L334 W353	Y306-L318 HydrophobicContact CD1-CD2 3.45Å; Y306-L318 VanDerWaalsContact CD1-CD2 3.45Å; Y306-L318 HydrophobicContact CE1-CD2 4.03Å; Y306-L318 HydrophobicContact CG-CD2 4.18Å; L307-L318 HydrophobicContact CD1-CD1 4.38Å; L307-L318 HydrophobicContact CD1-CD2 4.36Å; L307-L318 HydrophobicContact CD2-CD1 4.42Å; L307-L318 HydrophobicContact CD2-CD2 3.88Å; L307-L318 HydrophobicContact CG-CD2 3.85Å; S314-L318 PolarHBondContact O-N 2.99Å; L318-K320 PolarHBondContact O-N 3.16Å; L318-N321 PolarHBondContact O-N 3.09Å; L318-I322 WeakPolarHBondContact O-CG1 3.49Å; L318-I322 PolarHBondContact O-N 2.72Å; L318-I330 HydrophobicContact CB-CD1 3.42Å; L318-I330 VanDerWaalsContact CB-CD1 3.42Å; L318-I330 HydrophobicContact CD1-CD1 4.45Å; L318-L334 HydrophobicContact CD1-CD1 4.09Å; L318-L334 HydrophobicContact CD1-CD2 4.14Å; L318-W353 HydrophobicContact CD1-CB 4Å; L318-W353 HydrophobicContact CD1-CG 4.39Å
319	A	87.9	Confident	83.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.6	-51.4	178.7	0	0	0	0	0	111.1	A315 L316 N317 N321 I322 G323 L324 I330	A315-A319 WeakPolarHBondContact O-CB 3.33Å; A315-A319 PolarHBondContact O-N 2.79Å; L316-A319 PolarHBondContact O-N 2.86Å; N317-A319 PolarHBondContact O-N 3.15Å; A319-N321 PolarHBondContact O-N 3.01Å; A319-I322 PolarHBondContact O-N 2.93Å; A319-G323 PolarHBondContact O-N 3.48Å; A319-L324 CarbonylContact C-O 3.53Å; A319-L324 HydrophobicContact CB-CB 4.19Å; A319-L324 WeakPolarHBondContact CB-O 3.39Å; A319-L324 WeakPolarHBondContact O-CA 3.34Å; A319-L324 PolarHBondContact O-N 2.84Å; A319-I330 HydrophobicContact CB-CD1 4.21Å; A319-I330 HydrophobicContact CB-CG1 4.32Å; A319-I330 HydrophobicContact CB-CG2 4.32Å
320	K	88.1	Confident	83.9	Confident	136 Å²	136	56.9 Å²	56.9	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-56.5	-46.8	179.3	-74.1	179.5	175.5	-173.7	0	112.7	L316 N317 L318 I322 G323 L324	L316-K320 WeakPolarHBondContact O-CG 3.33Å; L316-K320 PolarHBondContact O-N 3.13Å; L316-K320 VanDerWaalsContact O-N 3.15Å; N317-K320 PolarHBondContact O-N 2.87Å; L318-K320 PolarHBondContact O-N 3.16Å; K320-I322 VanDerWaalsContact C-N 3.28Å; K320-I322 PolarHBondContact O-N 3Å; K320-G323 PolarHBondContact O-N 2.91Å; K320-L324 PolarHBondContact N-O 3.15Å
321	N	85.6	Confident	84.2	Confident	96 Å²	96	57.2 Å²	57.2	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-71.9	-17.6	-176	-75.9	-81	0	0	0	114	Y306 N317 L318 A319	Y306-N321 HydrophobicContact CD2-CB 3.62Å; Y306-N321 HydrophobicContact CE2-CB 3.34Å; Y306-N321 PolarHBondContact OH-ND2 3.48Å; N317-N321 PolarHBondContact O-N 2.8Å; N317-N321 PolarHBondContact O-ND2 3.28Å; L318-N321 PolarHBondContact O-N 3.09Å; A319-N321 PolarHBondContact O-N 3.01Å
322	I	85.3	Confident	85.1	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.072	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	10.7	173.8	76.1	-178.7	0	0	0	113.5	I299 K302 I303 L318 A319 K320 L324 I330	I299-I322 HydrophobicContact CG2-CD1 3.92Å; K302-I322 HydrophobicContact CB-CB 3.96Å; K302-I322 HydrophobicContact CB-CG2 3.75Å; K302-I322 HydrophobicContact CD-CB 4.48Å; I303-I322 HydrophobicContact CD1-CD1 4.1Å; I303-I322 HydrophobicContact CG1-CD1 3.66Å; L318-I322 WeakPolarHBondContact O-CG1 3.49Å; L318-I322 PolarHBondContact O-N 2.72Å; A319-I322 PolarHBondContact O-N 2.93Å; K320-I322 VanDerWaalsContact C-N 3.28Å; K320-I322 PolarHBondContact O-N 3Å; I322-L324 HydrophobicContact CD1-CD1 4.19Å; I322-L324 HydrophobicContact CG1-CD1 4.24Å; I322-L324 HydrophobicContact CG1-CG 4.35Å; I322-I330 HydrophobicContact CD1-CG2 3.85Å
323	G	81.1	Confident	85.5	Confident	65 Å²	65	53.3 Å²	53.3	67%	0.67	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	12.9	176.3	0	0	0	0	0	115.9	A319 K320	A319-G323 PolarHBondContact O-N 3.48Å; K320-G323 PolarHBondContact O-N 2.91Å
324	L	84	Confident	85.7	Confident	34 Å²	34	53 Å²	53	18%	0.178	29%	0.293	C	S	.	.			trans	-110.3	138.5	-177.5	-65.9	176.3	0	0	0	112.8	L294 I299 A319 K320 I322 I330	L294-L324 HydrophobicContact CD1-CD2 4.23Å; L294-L324 HydrophobicContact CD1-CG 4.44Å; I299-L324 HydrophobicContact CD1-CD1 4.23Å; I299-L324 HydrophobicContact CG1-CD1 4.39Å; A319-L324 CarbonylContact C-O 3.53Å; A319-L324 HydrophobicContact CB-CB 4.19Å; A319-L324 WeakPolarHBondContact CB-O 3.39Å; A319-L324 WeakPolarHBondContact O-CA 3.34Å; A319-L324 PolarHBondContact O-N 2.84Å; K320-L324 PolarHBondContact N-O 3.15Å; I322-L324 HydrophobicContact CD1-CD1 4.19Å; I322-L324 HydrophobicContact CG1-CD1 4.24Å; I322-L324 HydrophobicContact CG1-CG 4.35Å; L324-I330 HydrophobicContact CD1-CG2 3.54Å
325	T	76.8	Confident	85.6	Confident	104 Å²	104	56 Å²	56	64%	0.638	31%	0.307	S	S	*	.	S	Bend	trans	-82.5	-18.2	-170.3	56.3	0	0	0	0	115.3
326	K	83.8	Confident	85.6	Confident	101 Å²	101	57.5 Å²	57.5	44%	0.439	31%	0.314	S	S	.	.			trans	-138	130.5	-172.2	-60.4	141.4	-167.8	158.7	0	112.4	R328 D329	K326-R328 HydrophobicContact CB-CG 4.09Å; K326-R328 PolarHBondContact O-N 2.76Å; K326-R328 VanDerWaalsContact O-N 3.07Å; K326-D329 WeakPolarHBondContact CB-OD2 3.21Å; K326-D329 WeakPolarHBondContact O-CB 3.31Å; K326-D329 PolarHBondContact O-N 3.06Å
327	A	82.9	Confident	85.7	Confident	24 Å²	24	53.9 Å²	53.9	20%	0.198	30%	0.295	C	S	.	.	H	α-helix	trans	-52	-34.1	176.8	0	0	0	0	0	114.4	A315 L316 D329 I330 N331	A315-A327 HydrophobicContact CB-CB 4.08Å; A315-A327 WeakPolarHBondContact O-CA 3.36Å; L316-A327 HydrophobicContact CB-CB 4.11Å; L316-A327 HydrophobicContact CD1-CB 4.23Å; A327-D329 PolarHBondContact O-N 2.89Å; A327-I330 WeakPolarHBondContact O-CG1 3.48Å; A327-I330 PolarHBondContact O-N 3.02Å; A327-N331 PolarHBondContact O-N 2.97Å; A327-N331 PolarHBondContact O-OD1 2.82Å
328	R	84.6	Confident	86	Confident	170 Å²	170	52.8 Å²	52.8	64%	0.642	29%	0.287	S	S	*	.	H	α-helix	trans	-57.4	-31.3	178.9	81.5	-172.3	-175.2	164.4	9.1	112.6	K326 I330	K326-R328 HydrophobicContact CB-CG 4.09Å; K326-R328 PolarHBondContact O-N 2.76Å; K326-R328 VanDerWaalsContact O-N 3.07Å; R328-I330 VanDerWaalsContact C-N 3.29Å; R328-I330 PolarHBondContact O-N 2.78Å
329	D	82.2	Confident	86	Confident	59 Å²	59	61.6 Å²	61.6	32%	0.316	32%	0.32	S	S	.	.	H	α-helix	trans	-76	-22.6	-172	-56.8	-28.1	0	0	0	110.4	K326 A327	K326-D329 WeakPolarHBondContact CB-OD2 3.21Å; K326-D329 WeakPolarHBondContact O-CB 3.31Å; K326-D329 PolarHBondContact O-N 3.06Å; A327-D329 PolarHBondContact O-N 2.89Å
330	I	88.5	Confident	85.9	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-103.2	-17.9	173.6	72	163.7	0	0	0	114.6	I299 I303 A315 L318 A319 I322 L324 A327 R328 A332 V333 L334	I299-I330 HydrophobicContact CG2-CG2 4.29Å; I303-I330 HydrophobicContact CD1-CB 4.21Å; I303-I330 HydrophobicContact CD1-CD1 4.39Å; A315-I330 HydrophobicContact CB-CD1 4.45Å; A315-I330 VanDerWaalsContact O-CD1 3.29Å; A315-I330 WeakPolarHBondContact O-CD1 3.3Å; L318-I330 HydrophobicContact CB-CD1 3.42Å; L318-I330 VanDerWaalsContact CB-CD1 3.42Å; L318-I330 HydrophobicContact CD1-CD1 4.45Å; A319-I330 HydrophobicContact CB-CD1 4.21Å; A319-I330 HydrophobicContact CB-CG1 4.32Å; A319-I330 HydrophobicContact CB-CG2 4.32Å; I322-I330 HydrophobicContact CD1-CG2 3.85Å; L324-I330 HydrophobicContact CD1-CG2 3.54Å; A327-I330 WeakPolarHBondContact O-CG1 3.48Å; A327-I330 PolarHBondContact O-N 3.02Å; R328-I330 VanDerWaalsContact C-N 3.29Å; R328-I330 PolarHBondContact O-N 2.78Å; I330-A332 PolarHBondContact O-N 3.33Å; I330-A332 VanDerWaalsContact O-N 3.13Å; I330-V333 WeakPolarHBondContact O-CA 3.17Å; I330-V333 WeakPolarHBondContact O-CB 3.12Å; I330-V333 PolarHBondContact O-N 2.9Å; I330-L334 HydrophobicContact CD1-CD1 3.65Å; I330-L334 HydrophobicContact CD1-CG 4.35Å; I330-L334 HydrophobicContact CG1-CD1 3.94Å; I330-L334 PolarHBondContact O-N 2.83Å
331	N	87.9	Confident	85.8	Confident	59 Å²	59	61.5 Å²	61.5	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-54.5	-35.8	-176.9	-82.7	-17.2	0	0	0	112.9	A315 A327 V333 I335	A315-N331 VanDerWaalsContact CB-OD1 3.28Å; A315-N331 WeakPolarHBondContact CB-OD1 3.47Å; A327-N331 PolarHBondContact O-N 2.97Å; A327-N331 PolarHBondContact O-OD1 2.82Å; N331-V333 VanDerWaalsContact C-N 3.35Å; N331-I335 WeakPolarHBondContact O-CB 3.44Å; N331-I335 WeakPolarHBondContact O-CD1 3.37Å; N331-I335 VanDerWaalsContact O-CG1 3.26Å; N331-I335 WeakPolarHBondContact O-CG1 3.39Å; N331-I335 PolarHBondContact O-N 2.94Å; N331-I335 VanDerWaalsContact O-N 3.07Å
332	A	85.8	Confident	85.8	Confident	65 Å²	65	57.9 Å²	57.9	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-35.6	175.7	0	0	0	0	0	112.8	I330 D336	I330-A332 PolarHBondContact O-N 3.33Å; I330-A332 VanDerWaalsContact O-N 3.13Å; A332-D336 WeakPolarHBondContact O-CB 3.41Å; A332-D336 PolarHBondContact O-N 3.36Å; A332-D336 VanDerWaalsContact O-N 3.17Å
333	V	88.6	Confident	86.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-45.6	176.3	-179.5	0	0	0	0	110.6	M296 I299 K300 I303 I330 N331 I335 D336 M337	M296-V333 HydrophobicContact CE-CG2 3.55Å; M296-V333 HydrophobicContact SD-CG2 3.7Å; I299-V333 HydrophobicContact CG2-CB 4.37Å; I299-V333 HydrophobicContact CG2-CG1 4.25Å; I299-V333 HydrophobicContact CG2-CG2 3.95Å; K300-V333 HydrophobicContact CB-CG1 4.47Å; K300-V333 HydrophobicContact CD-CG1 4.46Å; K300-V333 HydrophobicContact CG-CG1 3.42Å; K300-V333 VanDerWaalsContact CG-CG1 3.42Å; I303-V333 HydrophobicContact CD1-CB 4.37Å; I303-V333 HydrophobicContact CD1-CG1 4Å; I330-V333 WeakPolarHBondContact O-CA 3.17Å; I330-V333 WeakPolarHBondContact O-CB 3.12Å; I330-V333 PolarHBondContact O-N 2.9Å; N331-V333 VanDerWaalsContact C-N 3.35Å; V333-I335 PolarHBondContact O-N 2.86Å; V333-D336 WeakPolarHBondContact O-CB 3.3Å; V333-D336 PolarHBondContact O-N 2.74Å; V333-D336 VanDerWaalsContact O-N 3.13Å; V333-M337 HydrophobicContact CG1-CG 4.35Å; V333-M337 HydrophobicContact CG1-SD 3.78Å; V333-M337 WeakPolarHBondContact O-CG 3.39Å; V333-M337 PolarHBondContact O-N 3.14Å
334	L	89.1	Confident	86.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-43.3	179	-70.8	170.9	0	0	0	112.2	I303 A315 L318 I330 D336 M337 E338 W353	I303-L334 HydrophobicContact CD1-CD2 4.24Å; I303-L334 HydrophobicContact CD1-CG 4.41Å; I303-L334 HydrophobicContact CG2-CD2 3.81Å; A315-L334 HydrophobicContact CB-CD1 3.92Å; L318-L334 HydrophobicContact CD1-CD1 4.09Å; L318-L334 HydrophobicContact CD1-CD2 4.14Å; I330-L334 HydrophobicContact CD1-CD1 3.65Å; I330-L334 HydrophobicContact CD1-CG 4.35Å; I330-L334 HydrophobicContact CG1-CD1 3.94Å; I330-L334 PolarHBondContact O-N 2.83Å; L334-D336 VanDerWaalsContact C-N 3.32Å; L334-D336 PolarHBondContact O-N 3.25Å; L334-M337 PolarHBondContact O-N 3.28Å; L334-E338 WeakPolarHBondContact O-CB 3.28Å; L334-E338 PolarHBondContact O-N 3.22Å; L334-W353 HydrophobicContact CB-CD2 4.08Å; L334-W353 HydrophobicContact CB-CE3 4.02Å; L334-W353 HydrophobicContact CB-CH2 3.75Å; L334-W353 HydrophobicContact CB-CZ2 3.81Å; L334-W353 HydrophobicContact CB-CZ3 3.86Å; L334-W353 HydrophobicContact CD1-CD2 3.99Å; L334-W353 HydrophobicContact CD1-CG 4.07Å; L334-W353 HydrophobicContact CD1-CZ2 4.37Å; L334-W353 HydrophobicContact CD2-CD2 4.16Å; L334-W353 HydrophobicContact CD2-CE3 4.22Å; L334-W353 HydrophobicContact CD2-CG 4.33Å; L334-W353 HydrophobicContact CG-CD2 4.32Å
335	I	88.7	Confident	86.7	Confident	88 Å²	88	63.7 Å²	63.7	45%	0.451	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-33	174.9	-67	165.6	0	0	0	111.7	N331 V333 R339 W353	N331-I335 WeakPolarHBondContact O-CB 3.44Å; N331-I335 WeakPolarHBondContact O-CD1 3.37Å; N331-I335 VanDerWaalsContact O-CG1 3.26Å; N331-I335 WeakPolarHBondContact O-CG1 3.39Å; N331-I335 PolarHBondContact O-N 2.94Å; N331-I335 VanDerWaalsContact O-N 3.07Å; V333-I335 PolarHBondContact O-N 2.86Å; I335-R339 PolarHBondContact O-N 2.67Å; I335-R339 VanDerWaalsContact O-N 3.14Å; I335-W353 HydrophobicContact CG1-CH2 4.25Å
336	D	87.6	Confident	86.9	Confident	39 Å²	39	64.1 Å²	64.1	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-44.4	174.5	-167	65.1	0	0	0	111.2	K300 A332 V333 L334 R339 Q340	K300-D336 WeakPolarHBondContact CE-OD2 3.5Å; K300-D336 IonicContact NZ-OD2 3.63Å; K300-D336 PolarHBondContact NZ-OD2 3.28Å; A332-D336 WeakPolarHBondContact O-CB 3.41Å; A332-D336 PolarHBondContact O-N 3.36Å; A332-D336 VanDerWaalsContact O-N 3.17Å; V333-D336 WeakPolarHBondContact O-CB 3.3Å; V333-D336 PolarHBondContact O-N 2.74Å; V333-D336 VanDerWaalsContact O-N 3.13Å; L334-D336 VanDerWaalsContact C-N 3.32Å; L334-D336 PolarHBondContact O-N 3.25Å; D336-R339 WeakPolarHBondContact O-CB 3.21Å; D336-R339 PolarHBondContact O-N 3.15Å; D336-R339 IonicContact OD1-CZ 3.11Å; D336-R339 IonicContact OD1-NH1 2.7Å; D336-R339 PolarHBondContact OD1-NH1 2.73Å; D336-R339 IonicContact OD1-NH2 2.66Å; D336-R339 PolarHBondContact OD1-NH2 2.75Å; D336-Q340 PolarHBondContact O-N 3.19Å; D336-Q340 VanDerWaalsContact O-N 3.12Å; D336-Q340 PolarHBondContact O-NE2 3.13Å; D336-Q340 PolarHBondContact OD2-NE2 2.9Å
337	M	88.9	Confident	86.2	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-35	175.8	-66.7	170.6	70.7	0	0	112.6	K300 I303 C304 V333 L334 Q340 G341 D342 V343	K300-M337 HydrophobicContact CB-SD 4.39Å; K300-M337 HydrophobicContact CD-CG 4.37Å; K300-M337 HydrophobicContact CG-CG 4.16Å; K300-M337 HydrophobicContact CG-SD 3.89Å; I303-M337 HydrophobicContact CG2-CE 3.97Å; I303-M337 HydrophobicContact CG2-SD 4.08Å; C304-M337 WeakPolarHBondContact SG-CE 3.48Å; V333-M337 HydrophobicContact CG1-CG 4.35Å; V333-M337 HydrophobicContact CG1-SD 3.78Å; V333-M337 WeakPolarHBondContact O-CG 3.39Å; V333-M337 PolarHBondContact O-N 3.14Å; L334-M337 PolarHBondContact O-N 3.28Å; M337-Q340 CarbonylContact O-C 3.59Å; M337-Q340 WeakPolarHBondContact O-CA 3.47Å; M337-Q340 WeakPolarHBondContact O-CB 3.12Å; M337-Q340 PolarHBondContact O-N 3.11Å; M337-Q340 VanDerWaalsContact O-N 3.11Å; M337-G341 PolarHBondContact O-N 3.13Å; M337-D342 HydrophobicContact CB-CB 4.43Å; M337-D342 PolarHBondContact O-N 3.07Å; M337-D342 VanDerWaalsContact O-N 3.08Å; M337-V343 HydrophobicContact CB-CG2 3.61Å; M337-V343 HydrophobicContact CE-CG1 3.92Å
338	E	91.2	Very high	85	Confident	53 Å²	53	67.4 Å²	67.4	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-47.2	171.2	-167.2	-178.3	-149.8	0	0	110.8	L334 Q340 G341 V343 R345 W353	L334-E338 WeakPolarHBondContact O-CB 3.28Å; L334-E338 PolarHBondContact O-N 3.22Å; E338-Q340 PolarHBondContact O-N 2.83Å; E338-G341 PolarHBondContact O-N 2.84Å; E338-V343 WeakPolarHBondContact CA-O 3.29Å; E338-V343 HydrophobicContact CB-CG2 4.44Å; E338-R345 VanDerWaalsContact CD-NH1 3.25Å; E338-R345 WeakPolarHBondContact OE1-CD 3.4Å; E338-R345 WeakPolarHBondContact OE1-CG 3.4Å; E338-R345 IonicContact OE1-CZ 2.71Å; E338-R345 IonicContact OE1-NE 2.89Å; E338-R345 PolarHBondContact OE1-NE 3.24Å; E338-R345 IonicContact OE1-NH1 2.62Å; E338-R345 PolarHBondContact OE1-NH1 2.88Å; E338-R345 IonicContact OE1-NH2 3.23Å; E338-R345 PolarHBondContact OE1-NH2 2.91Å; E338-R345 IonicContact OE2-CZ 2.68Å; E338-R345 IonicContact OE2-NH1 2.71Å; E338-R345 PolarHBondContact OE2-NH1 3.48Å; E338-R345 IonicContact OE2-NH2 3.42Å; E338-W353 HydrophobicContact CB-CZ3 4.07Å; E338-W353 HydrophobicContact CG-CZ3 4.32Å
339	R	88.3	Confident	84.3	Confident	184 Å²	184	65.4 Å²	65.4	69%	0.694	35%	0.353	S	S	*	.	H	α-helix	trans	-65.5	-19.9	175.2	-160.4	-172.9	71.3	-107.5	-8.3	113.2	I335 D336	I335-R339 PolarHBondContact O-N 2.67Å; I335-R339 VanDerWaalsContact O-N 3.14Å; D336-R339 WeakPolarHBondContact O-CB 3.21Å; D336-R339 PolarHBondContact O-N 3.15Å; D336-R339 IonicContact OD1-CZ 3.11Å; D336-R339 IonicContact OD1-NH1 2.7Å; D336-R339 PolarHBondContact OD1-NH1 2.73Å; D336-R339 IonicContact OD1-NH2 2.66Å; D336-R339 PolarHBondContact OD1-NH2 2.75Å
340	Q	84.1	Confident	83.4	Confident	94 Å²	94	67.3 Å²	67.3	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-89	-11.7	173.3	-91	139.9	95.7	0	0	113.3	D336 M337 E338 D342	D336-Q340 PolarHBondContact O-N 3.19Å; D336-Q340 VanDerWaalsContact O-N 3.12Å; D336-Q340 PolarHBondContact O-NE2 3.13Å; D336-Q340 PolarHBondContact OD2-NE2 2.9Å; M337-Q340 CarbonylContact O-C 3.59Å; M337-Q340 WeakPolarHBondContact O-CA 3.47Å; M337-Q340 WeakPolarHBondContact O-CB 3.12Å; M337-Q340 PolarHBondContact O-N 3.11Å; M337-Q340 VanDerWaalsContact O-N 3.11Å; E338-Q340 PolarHBondContact O-N 2.83Å; Q340-D342 VanDerWaalsContact C-N 3.29Å
341	G	86.2	Confident	83	Confident	40 Å²	40	69.2 Å²	69.2	41%	0.412	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	16.5	-175.6	0	0	0	0	0	114.4	M337 E338 T356	M337-G341 PolarHBondContact O-N 3.13Å; E338-G341 PolarHBondContact O-N 2.84Å; G341-T356 VanDerWaalsContact O-CG2 3.25Å; G341-T356 WeakPolarHBondContact O-CG2 3.41Å; G341-T356 PolarHBondContact O-OG1 2.62Å
342	D	86.6	Confident	83	Confident	21 Å²	21	69.6 Å²	69.6	11%	0.112	38%	0.382	C	S	.	.	S	Bend	trans	-84.3	-26	177.6	-87.8	2.7	0	0	0	112.1	M337 Q340 T356 K359 R362	M337-D342 HydrophobicContact CB-CB 4.43Å; M337-D342 PolarHBondContact O-N 3.07Å; M337-D342 VanDerWaalsContact O-N 3.08Å; Q340-D342 VanDerWaalsContact C-N 3.29Å; D342-T356 PolarHBondContact O-N 2.61Å; D342-T356 VanDerWaalsContact O-N 3.1Å; D342-T356 PolarHBondContact O-OG1 2.91Å; D342-K359 HydrophobicContact CB-CB 4.43Å; D342-K359 HydrophobicContact CB-CD 4.14Å; D342-K359 HydrophobicContact CB-CG 4.19Å; D342-K359 WeakPolarHBondContact O-CB 3.44Å; D342-K359 WeakPolarHBondContact OD2-CE 3.42Å; D342-K359 IonicContact OD2-NZ 3.69Å; D342-K359 PolarHBondContact OD2-NZ 2.95Å; D342-R362 IonicContact OD1-NH1 2.62Å
343	V	90.2	Very high	83.2	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.4	173.6	-62.7	0	0	0	0	110.5	L307 M337 E338 W353 H354	L307-V343 HydrophobicContact CD1-CG1 3.86Å; M337-V343 HydrophobicContact CB-CG2 3.61Å; M337-V343 HydrophobicContact CE-CG1 3.92Å; E338-V343 WeakPolarHBondContact CA-O 3.29Å; E338-V343 HydrophobicContact CB-CG2 4.44Å; V343-W353 HydrophobicContact CB-CE3 4.49Å; V343-W353 HydrophobicContact CG2-CE3 3.92Å; V343-W353 HydrophobicContact CG2-CZ3 4.04Å; V343-H354 CarbonylContact C-O 3.57Å; V343-H354 WeakPolarHBondContact CA-O 3.42Å; V343-H354 WeakPolarHBondContact CB-O 3.36Å
344	Y	88.4	Confident	83.1	Confident	102 Å²	102	68 Å²	68	40%	0.4	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	166.5	165.8	71	-86.8	0	0	0	110.5	Q346 W353 H354 T356	Y344-Q346 HydrophobicContact CE2-CB 4.49Å; Y344-W353 WeakPolarHBondContact O-CA 3.23Å; Y344-H354 HydrophobicContact CD1-CB 3.89Å; Y344-H354 HydrophobicContact CD2-CB 4.37Å; Y344-H354 HydrophobicContact CE1-CB 3.41Å; Y344-H354 VanDerWaalsContact CE1-CB 3.41Å; Y344-H354 HydrophobicContact CE2-CB 3.92Å; Y344-H354 AromaticContact CE2-CD2 3.43Å; Y344-H354 VanDerWaalsContact CE2-CD2 3.43Å; Y344-H354 WeakPolarHBondContact CE2-CD2 3.41Å; Y344-H354 AromaticContact CE2-CG 3.79Å; Y344-H354 HydrophobicContact CG-CB 4.35Å; Y344-H354 VanDerWaalsContact CZ-CB 3.42Å; Y344-H354 AromaticContact CZ-CD2 3.74Å; Y344-H354 AromaticContact CZ-CG 3.59Å; Y344-H354 PolarHBondContact N-O 3.27Å; Y344-H354 PolarHBondContact O-N 2.9Å; Y344-T356 HydrophobicContact CD1-CG2 4Å
345	R	89.4	Confident	83.1	Confident	127 Å²	127	68.3 Å²	68.3	48%	0.479	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148	176.2	73.2	-175.1	174.4	-120.5	-19.2	112.7	E338 P351 I352 W353	E338-R345 VanDerWaalsContact CD-NH1 3.25Å; E338-R345 WeakPolarHBondContact OE1-CD 3.4Å; E338-R345 WeakPolarHBondContact OE1-CG 3.4Å; E338-R345 IonicContact OE1-CZ 2.71Å; E338-R345 IonicContact OE1-NE 2.89Å; E338-R345 PolarHBondContact OE1-NE 3.24Å; E338-R345 IonicContact OE1-NH1 2.62Å; E338-R345 PolarHBondContact OE1-NH1 2.88Å; E338-R345 IonicContact OE1-NH2 3.23Å; E338-R345 PolarHBondContact OE1-NH2 2.91Å; E338-R345 IonicContact OE2-CZ 2.68Å; E338-R345 IonicContact OE2-NH1 2.71Å; E338-R345 PolarHBondContact OE2-NH1 3.48Å; E338-R345 IonicContact OE2-NH2 3.42Å; R345-P351 HydrophobicContact CB-CB 4.18Å; R345-I352 CarbonylContact C-O 3.55Å; R345-I352 WeakPolarHBondContact CA-O 3.44Å; R345-W353 HydrophobicContact CB-CD2 4Å; R345-W353 HydrophobicContact CB-CE3 3.91Å; R345-W353 HydrophobicContact CB-CH2 4.21Å; R345-W353 HydrophobicContact CB-CZ2 4.28Å; R345-W353 HydrophobicContact CB-CZ3 4.01Å
346	Q	80.9	Confident	83.1	Confident	113 Å²	113	65.5 Å²	65.5	53%	0.528	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.5	-179.6	-164.1	161.9	-11.9	0	0	110.5	Y344 I352	Y344-Q346 HydrophobicContact CE2-CB 4.49Å; Q346-I352 PolarHBondContact N-O 2.99Å; Q346-I352 PolarHBondContact O-N 3.33Å
347	G	71	Confident	82.9	Confident	59 Å²	59	69.8 Å²	69.8	61%	0.608	38%	0.375	S	S	*	.	S	Bend	trans	79.1	161.1	-179.2	0	0	0	0	0	115.6
348	T	56.5	Low	82.7	Confident	135 Å²	135	76.9 Å²	76.9	83%	0.828	41%	0.406	S	S	*	.	S	Bend	trans	-107.5	105.5	-178.6	47.1	0	0	0	0	111.4
349	T	70.1	Confident	82.5	Confident	129 Å²	129	76.1 Å²	76.1	79%	0.791	40%	0.402	S	S	*	.	S	Bend	trans	56.2	105	168.6	44.6	0	0	0	0	117.5
350	P	63.2	Low	82.4	Confident	99 Å²	99	70.9 Å²	70.9	64%	0.643	38%	0.382	S	S	*	.	S	Bend	cis	-72.6	139.9	-7.5	30.5	-34.1	0	0	0	111.3
351	P	81.3	Confident	82.3	Confident	39 Å²	39	72.2 Å²	72.2	25%	0.253	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-66.6	136.4	174.2	27.9	-33.5	0	0	0	111.1	R345	R345-P351 HydrophobicContact CB-CB 4.18Å
352	I	86.2	Confident	82.2	Confident	68 Å²	68	77.8 Å²	77.8	35%	0.349	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	138	170	-56.6	178.1	0	0	0	107.7	D312 R345 Q346	D312-I352 HydrophobicContact CB-CG2 3.73Å; R345-I352 CarbonylContact C-O 3.55Å; R345-I352 WeakPolarHBondContact CA-O 3.44Å; Q346-I352 PolarHBondContact N-O 2.99Å; Q346-I352 PolarHBondContact O-N 3.33Å
353	W	90.1	Very high	82.1	Confident	5 Å²	5	77.8 Å²	77.8	2%	0.019	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.2	-175.7	-66.3	85.8	0	0	0	111.2	L307 D312 S313 L318 L334 I335 E338 V343 Y344 R345	L307-W353 WeakPolarHBondContact CD2-O 3.06Å; D312-W353 WeakPolarHBondContact CA-O 3.23Å; S313-W353 PolarHBondContact N-O 3.43Å; S313-W353 PolarHBondContact O-N 3.18Å; L318-W353 HydrophobicContact CD1-CB 4Å; L318-W353 HydrophobicContact CD1-CG 4.39Å; L334-W353 HydrophobicContact CB-CD2 4.08Å; L334-W353 HydrophobicContact CB-CE3 4.02Å; L334-W353 HydrophobicContact CB-CH2 3.75Å; L334-W353 HydrophobicContact CB-CZ2 3.81Å; L334-W353 HydrophobicContact CB-CZ3 3.86Å; L334-W353 HydrophobicContact CD1-CD2 3.99Å; L334-W353 HydrophobicContact CD1-CG 4.07Å; L334-W353 HydrophobicContact CD1-CZ2 4.37Å; L334-W353 HydrophobicContact CD2-CD2 4.16Å; L334-W353 HydrophobicContact CD2-CE3 4.22Å; L334-W353 HydrophobicContact CD2-CG 4.33Å; L334-W353 HydrophobicContact CG-CD2 4.32Å; I335-W353 HydrophobicContact CG1-CH2 4.25Å; E338-W353 HydrophobicContact CB-CZ3 4.07Å; E338-W353 HydrophobicContact CG-CZ3 4.32Å; V343-W353 HydrophobicContact CB-CE3 4.49Å; V343-W353 HydrophobicContact CG2-CE3 3.92Å; V343-W353 HydrophobicContact CG2-CZ3 4.04Å; Y344-W353 WeakPolarHBondContact O-CA 3.23Å; R345-W353 HydrophobicContact CB-CD2 4Å; R345-W353 HydrophobicContact CB-CE3 3.91Å; R345-W353 HydrophobicContact CB-CH2 4.21Å; R345-W353 HydrophobicContact CB-CZ2 4.28Å; R345-W353 HydrophobicContact CB-CZ3 4.01Å
354	H	88.1	Confident	81.6	Confident	25 Å²	25	81.8 Å²	81.8	12%	0.116	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.4	-175.7	-54.8	-92.9	0	0	0	110.1	S311 D312 V343 Y344	S311-H354 PolarHBondContact O-ND1 2.69Å; D312-H354 WeakPolarHBondContact CB-CE1 3.45Å; D312-H354 VanDerWaalsContact CB-ND1 3.33Å; D312-H354 WeakPolarHBondContact CB-ND1 3.32Å; V343-H354 CarbonylContact C-O 3.57Å; V343-H354 WeakPolarHBondContact CA-O 3.42Å; V343-H354 WeakPolarHBondContact CB-O 3.36Å; Y344-H354 HydrophobicContact CD1-CB 3.89Å; Y344-H354 HydrophobicContact CD2-CB 4.37Å; Y344-H354 HydrophobicContact CE1-CB 3.41Å; Y344-H354 VanDerWaalsContact CE1-CB 3.41Å; Y344-H354 HydrophobicContact CE2-CB 3.92Å; Y344-H354 AromaticContact CE2-CD2 3.43Å; Y344-H354 VanDerWaalsContact CE2-CD2 3.43Å; Y344-H354 WeakPolarHBondContact CE2-CD2 3.41Å; Y344-H354 AromaticContact CE2-CG 3.79Å; Y344-H354 HydrophobicContact CG-CB 4.35Å; Y344-H354 VanDerWaalsContact CZ-CB 3.42Å; Y344-H354 AromaticContact CZ-CD2 3.74Å; Y344-H354 AromaticContact CZ-CG 3.59Å; Y344-H354 PolarHBondContact N-O 3.27Å; Y344-H354 PolarHBondContact O-N 2.9Å
355	S	88.9	Confident	81.3	Confident	8 Å²	8	81.8 Å²	81.8	6%	0.056	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.1	168.7	-177.2	0	0	0	0	110.8	K359	S355-K359 WeakPolarHBondContact OG-CG 3.32Å
356	T	88.3	Confident	80.8	Confident	29 Å²	29	81.2 Å²	81.2	18%	0.178	42%	0.422	C	S	.	.			trans	-74.4	154	174.7	61	0	0	0	0	111.9	G341 D342 Y344 K358 K359 R360	G341-T356 VanDerWaalsContact O-CG2 3.25Å; G341-T356 WeakPolarHBondContact O-CG2 3.41Å; G341-T356 PolarHBondContact O-OG1 2.62Å; D342-T356 PolarHBondContact O-N 2.61Å; D342-T356 VanDerWaalsContact O-N 3.1Å; D342-T356 PolarHBondContact O-OG1 2.91Å; Y344-T356 HydrophobicContact CD1-CG2 4Å; T356-K358 VanDerWaalsContact C-N 3.26Å; T356-K358 PolarHBondContact O-N 3.05Å; T356-K359 WeakPolarHBondContact O-CA 3.34Å; T356-K359 WeakPolarHBondContact O-CB 3.27Å; T356-K359 PolarHBondContact O-N 3.32Å; T356-R360 PolarHBondContact O-N 2.97Å
357	D	83.7	Confident	80.5	Confident	129 Å²	129	80.2 Å²	80.2	69%	0.69	41%	0.413	S	S	*	.	H	α-helix	trans	-59.5	-38.6	179.7	-51.5	-60.4	0	0	0	112	K359 R360 E361	D357-K359 PolarHBondContact O-N 3.15Å; D357-R360 WeakPolarHBondContact O-CB 3.49Å; D357-R360 PolarHBondContact O-N 3.48Å; D357-R360 VanDerWaalsContact O-N 3.17Å; D357-E361 WeakPolarHBondContact O-CB 3.46Å; D357-E361 PolarHBondContact O-N 3.17Å
358	K	83.6	Confident	80.6	Confident	151 Å²	151	82.1 Å²	82.1	66%	0.657	41%	0.409	S	S	*	.	H	α-helix	trans	-61.6	-29	174.8	-66.3	-179.2	178.6	177.1	0	113.1	T356 R362	T356-K358 VanDerWaalsContact C-N 3.26Å; T356-K358 PolarHBondContact O-N 3.05Å; K358-R362 VanDerWaalsContact O-CD 3.27Å; K358-R362 WeakPolarHBondContact O-CD 3.2Å; K358-R362 WeakPolarHBondContact O-CG 3.36Å; K358-R362 PolarHBondContact O-N 2.81Å
359	K	88.1	Confident	81.3	Confident	37 Å²	37	80.8 Å²	80.8	16%	0.161	40%	0.401	C	S	.	.	H	α-helix	trans	-80	-41.8	174.4	-179.9	58.6	166	-154.2	0	111.1	C304 D342 S355 T356 D357 R362 M363	C304-K359 WeakPolarHBondContact SG-CE 3.49Å; C304-K359 PolarHBondContact SG-NZ 3.23Å; D342-K359 HydrophobicContact CB-CB 4.43Å; D342-K359 HydrophobicContact CB-CD 4.14Å; D342-K359 HydrophobicContact CB-CG 4.19Å; D342-K359 WeakPolarHBondContact O-CB 3.44Å; D342-K359 WeakPolarHBondContact OD2-CE 3.42Å; D342-K359 IonicContact OD2-NZ 3.69Å; D342-K359 PolarHBondContact OD2-NZ 2.95Å; S355-K359 WeakPolarHBondContact OG-CG 3.32Å; T356-K359 WeakPolarHBondContact O-CA 3.34Å; T356-K359 WeakPolarHBondContact O-CB 3.27Å; T356-K359 PolarHBondContact O-N 3.32Å; D357-K359 PolarHBondContact O-N 3.15Å; K359-R362 PolarHBondContact O-N 2.94Å; K359-M363 HydrophobicContact CD-SD 4.45Å; K359-M363 HydrophobicContact CG-SD 4.41Å; K359-M363 WeakPolarHBondContact O-CG 3.37Å; K359-M363 PolarHBondContact O-N 2.9Å
360	R	84.7	Confident	80.5	Confident	73 Å²	73	80.7 Å²	80.7	28%	0.275	40%	0.396	S	S	.	.	H	α-helix	trans	-59	-48.4	174.7	-170.7	174.9	-64.7	-72.1	-6.3	111.5	L307 F308 T356 D357 R362 M363 Q364	L307-R360 PolarHBondContact O-NH2 2.89Å; F308-R360 HydrophobicContact CD2-CG 4.2Å; F308-R360 HydrophobicContact CE2-CG 3.89Å; F308-R360 WeakPolarHBondContact CE2-O 3.46Å; F308-R360 PolarHBondContact O-NH1 3.29Å; T356-R360 PolarHBondContact O-N 2.97Å; D357-R360 WeakPolarHBondContact O-CB 3.49Å; D357-R360 PolarHBondContact O-N 3.48Å; D357-R360 VanDerWaalsContact O-N 3.17Å; R360-R362 PolarHBondContact O-N 3.06Å; R360-M363 PolarHBondContact O-N 2.91Å; R360-M363 VanDerWaalsContact O-N 3.17Å; R360-Q364 PolarHBondContact O-N 3.33Å
361	E	83.3	Confident	79.5	Confident	123 Å²	123	80.1 Å²	80.1	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-55.6	-51.1	175.2	-178.1	-178.3	-147.2	0	0	112.1	D357 M363 Q364 I365	D357-E361 WeakPolarHBondContact O-CB 3.46Å; D357-E361 PolarHBondContact O-N 3.17Å; E361-M363 VanDerWaalsContact C-N 3.28Å; E361-M363 PolarHBondContact O-N 2.59Å; E361-Q364 PolarHBondContact O-N 3.29Å; E361-I365 HydrophobicContact CG-CD1 4.13Å; E361-I365 WeakPolarHBondContact O-CG1 3.23Å; E361-I365 PolarHBondContact O-N 2.88Å
362	R	83.8	Confident	77.4	Confident	157 Å²	157	84.6 Å²	84.6	59%	0.592	42%	0.421	S	S	*	.	H	α-helix	trans	-57.6	-38.4	176.2	-73.8	168.5	176.3	175	-4.3	112.9	D342 K358 K359 R360 K366	D342-R362 IonicContact OD1-NH1 2.62Å; K358-R362 VanDerWaalsContact O-CD 3.27Å; K358-R362 WeakPolarHBondContact O-CD 3.2Å; K358-R362 WeakPolarHBondContact O-CG 3.36Å; K358-R362 PolarHBondContact O-N 2.81Å; K359-R362 PolarHBondContact O-N 2.94Å; R360-R362 PolarHBondContact O-N 3.06Å; R362-K366 PolarHBondContact O-N 3.38Å
363	M	83.7	Confident	75.4	Confident	20 Å²	20	86.8 Å²	86.8	10%	0.099	44%	0.439	C	S	.	.	H	α-helix	trans	-74.9	-36.1	178.2	-72.4	-178.3	70.4	0	0	112.7	C304 D305 F308 K359 R360 E361 I365 K366 R367	C304-M363 HydrophobicContact CB-CE 3.94Å; C304-M363 HydrophobicContact CB-SD 3.72Å; D305-M363 WeakPolarHBondContact OD1-CE 3.31Å; F308-M363 HydrophobicContact CB-CE 3.94Å; F308-M363 HydrophobicContact CB-SD 4.37Å; F308-M363 HydrophobicContact CD2-CB 3.56Å; F308-M363 HydrophobicContact CD2-CE 4.03Å; F308-M363 HydrophobicContact CD2-CG 4.37Å; F308-M363 HydrophobicContact CD2-SD 3.97Å; F308-M363 HydrophobicContact CE2-CB 3.59Å; F308-M363 HydrophobicContact CG-CE 4.22Å; K359-M363 HydrophobicContact CD-SD 4.45Å; K359-M363 HydrophobicContact CG-SD 4.41Å; K359-M363 WeakPolarHBondContact O-CG 3.37Å; K359-M363 PolarHBondContact O-N 2.9Å; R360-M363 PolarHBondContact O-N 2.91Å; R360-M363 VanDerWaalsContact O-N 3.17Å; E361-M363 VanDerWaalsContact C-N 3.28Å; E361-M363 PolarHBondContact O-N 2.59Å; M363-I365 VanDerWaalsContact C-N 3.33Å; M363-K366 PolarHBondContact O-N 2.86Å; M363-R367 WeakPolarHBondContact O-CG 3.04Å; M363-R367 PolarHBondContact O-N 3.45Å
364	Q	80.2	Confident	72.5	Confident	89 Å²	89	96 Å²	96	42%	0.416	48%	0.483	S	S	.	.	H	α-helix	trans	-61.7	-44	172.4	-168.4	68.9	62.7	0	0	110.5	R360 E361 R367 N368	R360-Q364 PolarHBondContact O-N 3.33Å; E361-Q364 PolarHBondContact O-N 3.29Å; Q364-R367 PolarHBondContact O-N 3.43Å; Q364-N368 PolarHBondContact NE2-OD1 2.86Å; Q364-N368 WeakPolarHBondContact O-CB 3.29Å; Q364-N368 PolarHBondContact O-N 3.26Å; Q364-N368 PolarHBondContact O-OD1 2.75Å; Q364-N368 VanDerWaalsContact O-OD1 3.07Å
365	I	81.4	Confident	69.8	Low	103 Å²	103	101.3 Å²	101.3	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-44.5	174.3	-64.5	164.1	0	0	0	110.9	E361 M363 R367 N368 T369	E361-I365 HydrophobicContact CG-CD1 4.13Å; E361-I365 WeakPolarHBondContact O-CG1 3.23Å; E361-I365 PolarHBondContact O-N 2.88Å; M363-I365 VanDerWaalsContact C-N 3.33Å; I365-R367 VanDerWaalsContact C-N 3.35Å; I365-R367 PolarHBondContact O-N 3.39Å; I365-N368 PolarHBondContact O-N 2.74Å; I365-T369 PolarHBondContact O-N 2.58Å; I365-T369 PolarHBondContact O-OG1 3.18Å
366	K	78.6	Confident	67	Low	114 Å²	114	105.2 Å²	105.2	50%	0.496	55%	0.55	S	S	.	.	H	α-helix	trans	-60.2	-40.6	175.9	-173.4	-175.8	173.7	-175.6	0	112.3	E301 R362 M363	E301-K366 IonicContact OE1-NZ 2.61Å; E301-K366 PolarHBondContact OE1-NZ 2.73Å; R362-K366 PolarHBondContact O-N 3.38Å; M363-K366 PolarHBondContact O-N 2.86Å
367	R	76.5	Confident	64.8	Low	93 Å²	93	109.9 Å²	109.9	35%	0.351	58%	0.58	S	S	.	*	H	α-helix	trans	-72.6	-44.2	178.9	-71.3	-177	-177.7	179.7	4.1	111.9	D305 F308 N309 M363 Q364 I365 T369 N370	D305-R367 IonicContact OD1-CZ 3.89Å; D305-R367 IonicContact OD1-NE 2.71Å; D305-R367 IonicContact OD1-NH2 2.91Å; D305-R367 PolarHBondContact OD1-NH2 2.8Å; F308-R367 VanDerWaalsContact CD1-NH1 3.25Å; F308-R367 VanDerWaalsContact CE1-NH1 3.34Å; N309-R367 PolarHBondContact OD1-NH1 2.85Å; M363-R367 WeakPolarHBondContact O-CG 3.04Å; M363-R367 PolarHBondContact O-N 3.45Å; Q364-R367 PolarHBondContact O-N 3.43Å; I365-R367 VanDerWaalsContact C-N 3.35Å; I365-R367 PolarHBondContact O-N 3.39Å; R367-T369 VanDerWaalsContact C-N 3.3Å; R367-T369 PolarHBondContact O-N 2.74Å; R367-N370 PolarHBondContact O-N 3.44Å; R367-N370 VanDerWaalsContact O-N 3.08Å
368	N	72.4	Confident	62.1	Low	98 Å²	98	108.6 Å²	108.6	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-63.9	-30.8	-179.5	-69.3	13.9	0	0	0	113.3	Q364 I365 N370 S371	Q364-N368 PolarHBondContact NE2-OD1 2.86Å; Q364-N368 WeakPolarHBondContact O-CB 3.29Å; Q364-N368 PolarHBondContact O-N 3.26Å; Q364-N368 PolarHBondContact O-OD1 2.75Å; Q364-N368 VanDerWaalsContact O-OD1 3.07Å; I365-N368 PolarHBondContact O-N 2.74Å; N368-N370 VanDerWaalsContact C-N 3.26Å; N368-N370 PolarHBondContact O-N 3.24Å; N368-S371 PolarHBondContact O-OG 3.16Å
369	T	69.9	Low	59.3	Low	108 Å²	108	106.5 Å²	106.5	66%	0.663	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-18.9	175.9	-56.5	0	0	0	0	113	I365 R367	I365-T369 PolarHBondContact O-N 2.58Å; I365-T369 PolarHBondContact O-OG1 3.18Å; R367-T369 VanDerWaalsContact C-N 3.3Å; R367-T369 PolarHBondContact O-N 2.74Å
370	N	54	Low	56.4	Low	126 Å²	126	112.5 Å²	112.5	67%	0.674	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	4.3	-173.7	-73.9	11.2	0	0	0	113.9	R367 N368	R367-N370 PolarHBondContact O-N 3.44Å; R367-N370 VanDerWaalsContact O-N 3.08Å; N368-N370 VanDerWaalsContact C-N 3.26Å; N368-N370 PolarHBondContact O-N 3.24Å
371	S	42.8	Very low	54.3	Low	88 Å²	88	113.8 Å²	113.8	62%	0.615	65%	0.649	S	S	*	*			trans	-105.9	90.1	-177.2	58.4	0	0	0	0	112.7	N368	N368-S371 PolarHBondContact O-OG 3.16Å
372	V	37.1	Very low	51.5	Low	133 Å²	133	116 Å²	116	81%	0.806	66%	0.659	S	S	*	*			trans	-123.6	128.7	161.2	179.9	0	0	0	0	107.4
373	P	43.7	Very low	48.7	Very low	113 Å²	113	113.2 Å²	113.2	73%	0.734	66%	0.659	S	S	*	*			trans	-79.3	140.9	-174.2	-11.9	28.4	0	0	0	113.3
374	E	29.5	Very low	46	Very low	199 Å²	199	121 Å²	121	93%	0.93	69%	0.693	S	S	*	*			trans	-72.8	147.6	158.7	-68.1	-175.4	117.9	0	0	110.4
375	T	31.4	Very low	43.4	Very low	136 Å²	136	127.5 Å²	127.5	83%	0.834	71%	0.713	S	S	*	*			trans	-118.3	128.9	179.6	-48.5	0	0	0	0	110.3
376	A	31.2	Very low	40.8	Very low	91 Å²	91	128.1 Å²	128.1	75%	0.752	72%	0.718	S	S	*	*			trans	-71.3	154.9	175.8	0	0	0	0	0	112.1
377	P	41.3	Very low	38.3	Very low	126 Å²	126	127.2 Å²	127.2	82%	0.818	73%	0.732	S	S	*	*			trans	-93.4	166.4	-163.8	36.2	-37.7	0	0	0	116.3
378	A	26.8	Very low	36	Very low	103 Å²	103	128.9 Å²	128.9	85%	0.851	74%	0.744	S	S	*	*			trans	79.2	102.8	155.2	0	0	0	0	0	120.3
379	A	25.7	Very low	33.7	Very low	106 Å²	106	132.9 Å²	132.9	88%	0.876	76%	0.756	S	S	*	*				-156.1	157.7	124.8	0	0	0	0	0	111.5
380	I	26.8	Very low	31.6	Very low	163 Å²	163	133.9 Å²	133.9	84%	0.836	76%	0.757	S	S	*	*			trans	-123.4	153	-170.7	-67	170	0	0	0	106.4
381	P	40.3	Very low	30.2	Very low	101 Å²	101	133.7 Å²	133.7	66%	0.656	76%	0.761	S	S	*	*			cis	-137.7	-158.5	-17.5	38.1	-16.5	0	0	0	114.6
382	E	24.2	Very low	29.3	Very low	170 Å²	170	134.4 Å²	134.4	79%	0.794	76%	0.764	S	S	*	*			trans	98.4	112.2	136	-87.5	-174.6	-137.4	0	0	124.8
383	T	24.8	Very low	28.7	Very low	97 Å²	97	134 Å²	134	60%	0.595	76%	0.758	S	S	*	*				76.4	106.6	128.2	-41.7	0	0	0	0	122.8
384	K	26.5	Very low	27.8	Very low	185 Å²	185	135.1 Å²	135.1	80%	0.804	76%	0.756	S	S	*	*			trans	41.3	145.8	131.7	-48.5	170.3	-170	164.2	0	119.5
385	R	26.2	Very low	28.7	Very low	224 Å²	224	130.9 Å²	130.9	85%	0.845	75%	0.746	S	S	*	*			cis	-163.8	148.8	33.2	-156.5	173	-177.3	175.2	-1.2	115.1
386	N	26.7	Very low	28.5	Very low	116 Å²	116	129.8 Å²	129.8	62%	0.62	74%	0.74	S	S	*	*			trans	-14.1	144.4	164.5	-44.2	20.8	0	0	0	122	E388	N386-E388 WeakPolarHBondContact CB-OE1 3.38Å; N386-E388 PolarHBondContact ND2-OE1 3.35Å
387	A	26.1	Very low	28.3	Very low	95 Å²	95	130 Å²	130	79%	0.785	74%	0.735	S	S	*	*				-156.7	124	103.8	0	0	0	0	0	107.9
388	E	29.5	Very low	27.6	Very low	129 Å²	129	131 Å²	131	60%	0.603	73%	0.734	S	S	*	*				68.3	126.1	65.4	-66.3	168.9	-140.4	0	0	111.6	N386	N386-E388 WeakPolarHBondContact CB-OE1 3.38Å; N386-E388 PolarHBondContact ND2-OE1 3.35Å
389	F	23.3	Very low	27.6	Very low	181 Å²	181	130.2 Å²	130.2	79%	0.794	73%	0.727	S	S	*	*			cis	-118.6	142.5	33.5	-81.6	-112.7	0	0	0	113
390	L	26.2	Very low	27.6	Very low	129 Å²	129	129.6 Å²	129.6	68%	0.675	72%	0.717	S	S	*	*				66.9	135.5	70.1	-63.4	178	0	0	0	113.4
391	T	24	Very low	27.6	Very low	122 Å²	122	128.2 Å²	128.2	75%	0.748	71%	0.711	S	S	*	*			cis	-162.3	169.1	4.7	22.5	0	0	0	0	106.6
392	C	24.7	Very low	26.8	Very low	103 Å²	103	129.8 Å²	129.8	70%	0.696	71%	0.714	S	S	*	*			cis	-168.9	-177.6	-5	-105.7	0	0	0	0	105.6
393	N	24.9	Very low	26.8	Very low	124 Å²	124	128.5 Å²	128.5	66%	0.663	71%	0.71	S	S	*	*			cis	-160.4	159.1	-3.6	-114.3	5.7	0	0	0	106.1
394	I	24.4	Very low	27	Very low	137 Å²	137	130.9 Å²	130.9	70%	0.703	72%	0.723	S	S	*	*			cis	79.9	131.4	25.3	-55.7	167.4	0	0	0	113.3
395	P	48	Very low	26.8	Very low	110 Å²	110	126.7 Å²	126.7	71%	0.714	71%	0.713	S	S	*	*			cis	-112.9	-140.1	-1.8	28	-3.8	0	0	0	111
396	T	26.3	Very low	26.7	Very low	114 Å²	114	121.4 Å²	121.4	70%	0.699	71%	0.706	S	S	*	*			cis	-161.7	139.3	1.9	2.3	0	0	0	0	106.2
397	S	28.2	Very low	26.4	Very low	94 Å²	94	122.5 Å²	122.5	66%	0.657	71%	0.708	S	S	*	*				80.1	149.1	70.8	100.2	0	0	0	0	115.8
398	N	26.3	Very low	26.3	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	70%	0.702	S	S	*	*			cis	-167.7	163.5	5.8	-132.9	-6.8	0	0	0	112.9
399	A	27.1	Very low	26	Very low	87 Å²	87	124.4 Å²	124.4	72%	0.719	71%	0.705	S	S	*	*			trans	60.7	164.8	147.3	0	0	0	0	0	121
400	S	25.7	Very low	26	Very low	93 Å²	93	123.3 Å²	123.3	65%	0.65	70%	0.703	S	S	*	*			cis	-173.2	159.6	-32	61.7	0	0	0	0	112.4
401	N	25.5	Very low	26.1	Very low	133 Å²	133	124.2 Å²	124.2	71%	0.711	71%	0.708	S	S	*	*			trans	70.3	117.9	142.6	-66.4	-4.3	0	0	0	123.9
402	N	24.9	Very low	26.1	Very low	134 Å²	134	122.1 Å²	122.1	72%	0.717	71%	0.711	S	S	*	*				87.5	135.5	116.6	-68.4	-4	0	0	0	125.8
403	M	23.1	Very low	26.2	Very low	144 Å²	144	125.4 Å²	125.4	71%	0.709	72%	0.716	S	S	*	*			trans	83.3	135.8	139.2	-80	176.8	72.2	0	0	122.7	T405	M403-T405 HydrophobicContact CE-CG2 4.22Å; M403-T405 VanDerWaalsContact CE-OG1 3.28Å; M403-T405 WeakPolarHBondContact CE-OG1 3.46Å
404	V	29.3	Very low	26.1	Very low	146 Å²	146	127.6 Å²	127.6	89%	0.885	72%	0.722	S	S	*	*			trans	-126.2	113.2	154.9	172.2	0	0	0	0	108.4
405	T	22.8	Very low	27.3	Very low	97 Å²	97	126 Å²	126	60%	0.595	72%	0.721	S	S	*	*			trans	-150	142.1	159.3	44.9	0	0	0	0	104.9	M403	M403-T405 HydrophobicContact CE-CG2 4.22Å; M403-T405 VanDerWaalsContact CE-OG1 3.28Å; M403-T405 WeakPolarHBondContact CE-OG1 3.46Å
406	T	23.1	Very low	26.1	Very low	114 Å²	114	126.7 Å²	126.7	70%	0.699	72%	0.723	S	S	*	*			cis	-154.4	174.8	21.9	-15.2	0	0	0	0	110.4
407	E	21.9	Very low	26	Very low	139 Å²	139	127.2 Å²	127.2	65%	0.65	72%	0.72	S	S	*	*			trans	5	155.5	133.5	-69.5	-173.6	149.4	0	0	120.2
408	K	22	Very low	25.8	Very low	154 Å²	154	131.2 Å²	131.2	67%	0.67	73%	0.726	S	S	*	*			cis	-160.9	142.4	14.2	-120.1	156.9	-175.4	148.9	0	108.1
409	V	23.6	Very low	25.8	Very low	110 Å²	110	130.2 Å²	130.2	67%	0.667	72%	0.72	S	S	*	*				72	116.6	97.2	169.8	0	0	0	0	117
410	E	24.7	Very low	25.6	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	72%	0.72	S	S	*	*			trans	63	140.7	145.7	-75.1	-173.9	117.8	0	0	126.3
411	N	27	Very low	25.6	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	72%	0.721	S	S	*	*			trans	68.4	146.6	142.7	-67.1	-33.3	0	0	0	121.6
412	G	25.4	Very low	25.5	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	73%	0.726	S	S	*	*			trans	153.8	72.9	-176.1	0	0	0	0	0	112.3
413	Q	25.6	Very low	25.4	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	72%	0.723	S	S	*	*			trans	-88.5	158.3	169.7	-81.4	-176.4	-110.3	0	0	111.3
414	E	22.8	Very low	25.5	Very low	170 Å²	170	140 Å²	140	79%	0.794	73%	0.725	S	S	*	*			trans	69.5	167	156.8	-80.3	-167.9	-172.3	0	0	117.5
415	P	49.1	Very low	25.1	Very low	103 Å²	103	136.9 Å²	136.9	67%	0.669	71%	0.714	S	S	*	*				-133.8	-145.8	-63.5	36.3	-16.7	0	0	0	111.5
416	V	23.1	Very low	25.1	Very low	126 Å²	126	142.9 Å²	142.9	76%	0.764	73%	0.726	S	S	*	*			trans	74.3	140.2	163.3	164.5	0	0	0	0	117.2
417	I	23.9	Very low	25.3	Very low	125 Å²	125	143.5 Å²	143.5	64%	0.641	73%	0.732	S	S	*	*			cis	-164.9	140.3	-33.2	-130.3	172.9	0	0	0	110.6
418	K	25.5	Very low	25.4	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	74%	0.737	S	S	*	*			trans	59.1	172.8	159.7	-61	176.2	-173.5	179.5	0	116.9
419	L	25.1	Very low	26.7	Very low	126 Å²	126	142.2 Å²	142.2	66%	0.66	74%	0.738	S	S	*	*			cis	-149.9	133.6	11.3	-169.2	70.5	0	0	0	112.1
420	E	24.2	Very low	26.6	Very low	157 Å²	157	141.2 Å²	141.2	73%	0.734	74%	0.741	S	S	*	*			trans	46.6	160.4	148.9	-62.5	177.2	-178.4	0	0	122.3
421	N	24.1	Very low	26.7	Very low	126 Å²	126	144.9 Å²	144.9	67%	0.674	75%	0.748	S	S	*	*			cis	-151.4	169.6	13.4	-144.9	-48	0	0	0	113.5
422	R	24.7	Very low	26.4	Very low	213 Å²	213	146.2 Å²	146.2	80%	0.804	75%	0.754	S	S	*	*			trans	68.4	102.5	163.9	-124.6	160.1	-171	-178.8	1.5	117.6
423	Q	23.5	Very low	26.3	Very low	143 Å²	143	151.4 Å²	151.4	67%	0.668	76%	0.755	S	S	*	*				70.9	136.8	73.2	-71.4	-172.8	-62.4	0	0	115.5
424	E	23.4	Very low	27.4	Very low	159 Å²	159	148.9 Å²	148.9	74%	0.743	75%	0.753	S	S	*	*			cis	-162.7	157.6	-15.9	-130.2	176.5	131.8	0	0	113.8
425	A	22.2	Very low	27.7	Very low	80 Å²	80	145.9 Å²	145.9	66%	0.661	75%	0.748	S	S	*	*			trans	44.1	121	146.5	0	0	0	0	0	124.4
426	R	22.6	Very low	26.5	Very low	222 Å²	222	147.2 Å²	147.2	84%	0.838	75%	0.754	S	S	*	*				28	144.8	116.3	-101.2	-174.6	163.7	174.1	-5.6	120.2
427	P	27.1	Very low	26.6	Very low	128 Å²	128	148.6 Å²	148.6	83%	0.831	75%	0.752	S	S	*	*				-141.8	-163.8	59.5	41.6	-24	0	0	0	116.3
428	E	23.6	Very low	26.5	Very low	161 Å²	161	153.2 Å²	153.2	75%	0.752	76%	0.763	S	S	*	*			trans	-99.8	-143	-176	-156.5	-164.4	-98.7	0	0	111
429	P	50.1	Low	26.3	Very low	105 Å²	105	151.2 Å²	151.2	68%	0.682	76%	0.761	S	S	*	*				-117.7	157.8	-128.1	40.3	-24.4	0	0	0	117.4
430	A	21.9	Very low	26.2	Very low	89 Å²	89	148.9 Å²	148.9	74%	0.736	77%	0.767	S	S	*	*			trans	-142.3	124.1	157.3	0	0	0	0	0	108.6
431	R	26.1	Very low	26.6	Very low	234 Å²	234	147.1 Å²	147.1	88%	0.883	77%	0.769	S	S	*	*				59.8	119.7	71.2	-70	-171.8	177.3	-165.1	2.2	114
432	L	21	Very low	26.6	Very low	176 Å²	176	145.8 Å²	145.8	92%	0.921	77%	0.769	S	S	*	*				-173.2	168.6	110.1	-96.9	165.6	0	0	0	112.8
433	K	22.5	Very low	26.5	Very low	188 Å²	188	145.5 Å²	145.5	82%	0.817	77%	0.774	S	S	*	*			trans	-123.1	-179.7	167.8	-69.5	-177.4	174.6	-176.8	0	107.4
434	P	49.8	Very low	26.5	Very low	117 Å²	117	143.6 Å²	143.6	76%	0.76	78%	0.783	S	S	*	*			cis	-107.4	-143.2	-47	27.7	-5.8	0	0	0	107.8
435	P	28.9	Very low	26.6	Very low	108 Å²	108	139.4 Å²	139.4	70%	0.701	78%	0.782	S	S	*	*				-157.9	174.5	71.7	43	-21.6	0	0	0	118.9
436	V	22.4	Very low	26.6	Very low	130 Å²	130	145.2 Å²	145.2	79%	0.788	79%	0.789	S	S	*	*			trans	71.7	140.3	141.4	161.4	0	0	0	0	122.9
437	H	25.7	Very low	26.7	Very low	155 Å²	155	140.2 Å²	140.2	72%	0.718	78%	0.782	S	S	*	*			trans	-87.9	165.3	175.4	-60.1	-122.1	0	0	0	112.8
438	Y	22.3	Very low	26.7	Very low	222 Å²	222	138.9 Å²	138.9	87%	0.871	77%	0.768	S	S	*	*				-159.6	124.5	120	-103.6	-87	0	0	0	106.4
439	N	21.6	Very low	26.8	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	77%	0.769	S	S	*	*				86.9	88.5	54.2	-92.7	6	0	0	0	116
440	G	23.1	Very low	25.9	Very low	76 Å²	76	141.9 Å²	141.9	78%	0.784	77%	0.771	S	S	*	*			trans	88.9	173.6	144.4	0	0	0	0	0	118.7
441	P	32	Very low	26.4	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	77%	0.767	S	S	*	*			cis	-124.8	-176.3	5.9	43.2	-30	0	0	0	115.8
442	S	24.4	Very low	26.4	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	75%	0.75	S	S	*	*			trans	6.8	137.6	154.7	54	0	0	0	0	121.1
443	K	23.3	Very low	26.9	Very low	207 Å²	207	134.8 Å²	134.8	90%	0.9	75%	0.745	S	S	*	*			cis	69	98.6	41.5	-166.6	-157.2	-173.5	-169.1	0	115
444	A	23	Very low	27.2	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	75%	0.75	S	S	*	*			trans	-173.5	150.4	145.5	0	0	0	0	0	112.3
445	G	24.6	Very low	26	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	75%	0.745	S	S	*	*			trans	78.4	116.2	171.5	0	0	0	0	0	115.5
446	Y	22.7	Very low	26	Very low	202 Å²	202	136.3 Å²	136.3	79%	0.792	75%	0.748	S	S	*	*			cis	64.3	151	-0.6	-138.3	-90.5	0	0	0	117.7
447	V	25	Very low	26.2	Very low	116 Å²	116	137 Å²	137	70%	0.703	75%	0.747	S	S	*	*			trans	61.6	132.3	-170.9	-52.9	0	0	0	0	117.4
448	D	26.6	Very low	26.4	Very low	100 Å²	100	137 Å²	137	54%	0.535	75%	0.752	S	S	.	*			cis	-169.1	161.2	-22.8	-110.5	-14.3	0	0	0	112
449	F	26	Very low	26.9	Very low	177 Å²	177	133.4 Å²	133.4	78%	0.776	75%	0.747	S	S	*	*			trans	51.4	163.9	149.9	-71.8	-57.9	0	0	0	120.7
450	E	30.9	Very low	27.3	Very low	153 Å²	153	132.5 Å²	132.5	72%	0.715	75%	0.748	S	S	*	*			cis	-154.4	168.4	-2	-127.7	-166	-96.5	0	0	106.2
451	N	31.7	Very low	27.7	Very low	122 Å²	122	136.8 Å²	136.8	65%	0.652	75%	0.754	S	S	*	*			cis	-159.2	-172.2	-14.4	-140.1	-14.7	0	0	0	106
452	G	27.8	Very low	27.8	Very low	51 Å²	51	138.1 Å²	138.1	53%	0.526	75%	0.754	S	S	.	*			cis	174.6	151.8	-6.9	0	0	0	0	0	113.4
453	Q	29.9	Very low	28.1	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.822	77%	0.765	S	S	*	*			trans	61.1	157	150.2	-66.3	177.6	-11.3	0	0	118.6
454	W	28.7	Very low	28.5	Very low	241 Å²	241	139.6 Å²	139.6	91%	0.913	76%	0.763	S	S	*	*			cis	-120.7	160.3	33.2	-63.6	10.9	0	0	0	115.8
455	A	26.3	Very low	28.8	Very low	81 Å²	81	139.8 Å²	139.8	67%	0.669	76%	0.758	S	S	*	*			trans	49.3	129.8	152.9	0	0	0	0	0	120.1
456	T	28.8	Very low	29	Very low	123 Å²	123	143.2 Å²	143.2	76%	0.755	76%	0.758	S	S	*	*			cis	70.2	127.7	24.5	88	0	0	0	0	113.7
457	D	26.1	Very low	29.2	Very low	145 Å²	145	145 Å²	145	78%	0.775	76%	0.763	S	S	*	*				-153.2	160	57.3	-74.9	-12	0	0	0	115.5
458	D	30.4	Very low	29.8	Very low	154 Å²	154	144.5 Å²	144.5	82%	0.824	77%	0.772	S	S	*	*			trans	-25.2	163.5	174.9	-60.2	-25	0	0	0	125.1
459	I	31.3	Very low	29.7	Very low	148 Å²	148	144.1 Å²	144.1	76%	0.759	78%	0.783	S	S	*	*			trans	-98	128.7	162.4	-61.2	170.5	0	0	0	109	D461	I459-D461 PolarHBondContact O-N 3Å
460	P	31.4	Very low	30.4	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	79%	0.788	S	S	*	*			trans	-74.7	114	168.3	-17.7	32.5	0	0	0	112.2	D462	P460-D462 PolarHBondContact O-N 2.84Å
461	D	31.2	Very low	30.6	Very low	167 Å²	167	138.4 Å²	138.4	89%	0.893	79%	0.79	S	S	*	*			trans	-77.6	64.3	174.5	-100.3	-34.4	0	0	0	111.9	I459	I459-D461 PolarHBondContact O-N 3Å
462	D	33.4	Very low	30.6	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	80%	0.799	S	S	*	*			trans	-149.9	78.5	176.7	-133.8	-15.9	0	0	0	113.4	P460	P460-D462 PolarHBondContact O-N 2.84Å
463	L	31.4	Very low	30.8	Very low	174 Å²	174	149.5 Å²	149.5	91%	0.911	82%	0.821	S	S	*	*	S	Bend	trans	-176.1	54.3	153.4	-106.2	168.1	0	0	0	112.8
464	N	30.7	Very low	31	Very low	162 Å²	162	152.5 Å²	152.5	87%	0.866	83%	0.825	S	S	*	*			trans	-145.7	44.1	177.7	-133.3	-17.4	0	0	0	115.5
465	S	29.9	Very low	31.1	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	81%	0.81	S	S	*	*			trans	-170.7	153.8	163.6	-83.7	0	0	0	0	110.8
466	I	28.9	Very low	31.4	Very low	142 Å²	142	148.9 Å²	148.9	73%	0.728	82%	0.821	S	S	*	*			cis	-156.6	140.4	-18.8	-97.3	154.8	0	0	0	104.8
467	R	26.6	Very low	31.4	Very low	239 Å²	239	151 Å²	151	90%	0.902	82%	0.824	S	S	*	*			trans	-179.8	126.3	136.8	-100.6	156.6	-151.4	-108.4	2.4	111.7
468	A	37	Very low	31.5	Very low	107 Å²	107	152.6 Å²	152.6	88%	0.884	83%	0.827	S	S	*	*			trans	-94	132.1	153.8	0	0	0	0	0	108.2
469	A	25.6	Very low	31.3	Very low	92 Å²	92	152.6 Å²	152.6	76%	0.76	82%	0.824	S	S	*	*			trans	-137.2	150.8	167.4	0	0	0	0	0	107.9
470	P	39.6	Very low	31.5	Very low	135 Å²	135	150 Å²	150	88%	0.877	82%	0.816	S	S	*	*			trans	-97.3	140.6	-146.7	34.6	-34.7	0	0	0	114.8
471	G	36.8	Very low	32.1	Very low	75 Å²	75	149 Å²	149	77%	0.773	81%	0.812	S	S	*	*			trans	116.6	71.2	150.7	0	0	0	0	0	117.2
472	E	31.6	Very low	31.8	Very low	178 Å²	178	147.6 Å²	147.6	83%	0.832	80%	0.799	S	S	*	*			trans	-142.7	35.1	156.5	-134.4	163.2	-131.3	0	0	113.6	R474	E472-R474 PolarHBondContact O-N 2.8Å
473	F	31.6	Very low	31.7	Very low	228 Å²	228	149 Å²	149	100%	1	79%	0.794	S	S	*	*			trans	-73.3	45.2	173	-110.1	-84	0	0	0	112.5
474	R	34.1	Very low	31.5	Very low	238 Å²	238	145.5 Å²	145.5	90%	0.898	78%	0.784	S	S	*	*	S	Bend	trans	-156.9	36.9	-174.9	-138.3	176.8	-170.5	-173.9	1.3	117.1	E472	E472-R474 PolarHBondContact O-N 2.8Å
475	A	30.7	Very low	32.1	Very low	73 Å²	73	147.4 Å²	147.4	60%	0.603	79%	0.787	S	S	*	*	S	Bend	trans	-140.5	9.5	-179.7	0	0	0	0	0	116.7
476	I	31.6	Very low	32.5	Very low	173 Å²	173	145.3 Å²	145.3	89%	0.887	78%	0.783	S	S	*	*	S	Bend	trans	-126.8	12	178.1	-45.3	-178.8	0	0	0	111.6
477	M	28.8	Very low	32.9	Very low	168 Å²	168	146.5 Å²	146.5	83%	0.828	79%	0.79	S	S	*	*	S	Bend	trans	-126.3	140.5	155.5	-73.3	-169.2	-74.2	0	0	106.5
478	E	28.8	Very low	33.7	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	77%	0.774	S	S	*	*			trans	68.1	131.9	-161.9	-51.8	166.1	-172.1	0	0	112.9
479	M	26.8	Very low	34.3	Very low	153 Å²	153	145.3 Å²	145.3	75%	0.754	77%	0.774	S	S	*	*			cis	-166.8	-179.8	-19.3	-108.9	-68.3	85.8	0	0	104.8
480	P	35.1	Very low	36.2	Very low	93 Å²	93	142.8 Å²	142.8	60%	0.604	75%	0.75	S	S	*	*			cis	-126.3	170.5	6.9	26.9	-3	0	0	0	116.2	F482	P480-F482 HydrophobicContact CB-CD2 3.99Å; P480-F482 HydrophobicContact CB-CE2 3.82Å; P480-F482 HydrophobicContact CG-CD2 3.91Å; P480-F482 HydrophobicContact CG-CE2 3.67Å
481	S	43.8	Very low	38	Very low	97 Å²	97	138 Å²	138	68%	0.678	72%	0.72	S	S	*	*			trans	-79.4	109.5	177.2	51.2	0	0	0	0	113.9
482	F	25.1	Very low	39.9	Very low	137 Å²	137	137.2 Å²	137.2	60%	0.601	70%	0.701	S	S	*	*			trans	-141.4	120.3	177.7	-79.6	-113.2	0	0	0	109.7	P480	P480-F482 HydrophobicContact CB-CD2 3.99Å; P480-F482 HydrophobicContact CB-CE2 3.82Å; P480-F482 HydrophobicContact CG-CD2 3.91Å; P480-F482 HydrophobicContact CG-CE2 3.67Å
483	Y	32.3	Very low	42.4	Very low	179 Å²	179	132.2 Å²	132.2	70%	0.702	68%	0.675	S	S	*	*			cis	-155.5	168.3	-0.3	-113.2	-43.7	0	0	0	111.8
484	S	26.2	Very low	44.8	Very low	100 Å²	100	128.2 Å²	128.2	70%	0.699	66%	0.657	S	S	*	*			trans	-47.7	179.4	165.1	-44.7	0	0	0	0	116.9	G486	S484-G486 PolarHBondContact O-N 3.39Å
485	H	44.6	Very low	47.3	Very low	201 Å²	201	118.3 Å²	118.3	93%	0.931	62%	0.621	S	S	*	*	S	Bend	trans	-55	122.9	168.6	-60.2	-103.4	0	0	0	112.2
486	G	37	Very low	49.8	Very low	64 Å²	64	114.8 Å²	114.8	66%	0.66	59%	0.592	S	S	*	*			trans	165.6	122.2	171.3	0	0	0	0	0	115	S484	S484-G486 PolarHBondContact O-N 3.39Å
487	L	36.7	Very low	52.3	Low	168 Å²	168	109.3 Å²	109.3	88%	0.88	57%	0.567	S	S	*	*			trans	55.3	153	172.7	-74.6	95.5	0	0	0	119.6
488	P	43.6	Very low	55	Low	86 Å²	86	105.4 Å²	105.4	56%	0.558	55%	0.546	S	S	*	.			trans	-81	132.4	-178.9	-8	26.8	0	0	0	112.6	C490 F514	P488-C490 PolarHBondContact O-N 2.75Å; P488-F514 HydrophobicContact CB-CE2 4Å; P488-F514 HydrophobicContact CB-CZ 3.71Å; P488-F514 HydrophobicContact CG-CZ 4.48Å
489	R	51.2	Low	57.7	Low	234 Å²	234	96.9 Å²	96.9	88%	0.883	51%	0.507	S	S	*	.	S	Bend	trans	-76.7	27.8	174.3	-66.7	-177.1	173	178.7	-3.1	114
490	C	64.3	Low	60.3	Low	40 Å²	40	94.1 Å²	94.1	27%	0.27	49%	0.492	S	S	.	.	S	Bend	trans	-159.2	138.7	-175.3	-164.1	0	0	0	0	109.2	P488 F514	P488-C490 PolarHBondContact O-N 2.75Å; C490-F514 HydrophobicContact CB-CE2 4.29Å; C490-F514 HydrophobicContact CB-CZ 4.13Å
491	S	77.8	Confident	62.5	Low	35 Å²	35	97.2 Å²	97.2	25%	0.245	50%	0.502	C	S	.	.			trans	-71.3	149.8	173.6	75.9	0	0	0	0	110.9	Y493 K494 K495 D577	S491-Y493 PolarHBondContact O-N 3.44Å; S491-K494 PolarHBondContact O-N 3.47Å; S491-K494 VanDerWaalsContact O-N 3.13Å; S491-K494 WeakPolarHBondContact OG-CB 3.17Å; S491-K494 PolarHBondContact OG-N 3.4Å; S491-K495 PolarHBondContact O-N 3.41Å; S491-D577 WeakPolarHBondContact CB-OD1 3.45Å; S491-D577 WeakPolarHBondContact CB-OD2 3.4Å; S491-D577 PolarHBondContact OG-OD2 2.94Å
492	P	77.1	Confident	64.5	Low	58 Å²	58	95.7 Å²	95.7	38%	0.377	48%	0.484	S	S	.	.	H	α-helix	trans	-55.9	-38.2	178.2	-26.1	35.4	0	0	0	112.8	K495 L496 Y511 A573	P492-K495 PolarHBondContact O-N 3.04Å; P492-L496 WeakPolarHBondContact O-CB 3.13Å; P492-L496 WeakPolarHBondContact O-CG 3.47Å; P492-L496 PolarHBondContact O-N 3.06Å; P492-Y511 HydrophobicContact CB-CE2 4.16Å; P492-A573 HydrophobicContact CB-CB 4.25Å
493	Y	82.4	Confident	67.6	Low	72 Å²	72	92.6 Å²	92.6	28%	0.282	47%	0.473	S	S	.	.	H	α-helix	trans	-61.3	-47.1	176.5	176.6	-108.2	0	0	0	112	S491 K495 L496 T497 L570 A573 K574 D577	S491-Y493 PolarHBondContact O-N 3.44Å; Y493-K495 VanDerWaalsContact C-N 3.31Å; Y493-K495 PolarHBondContact O-N 3.1Å; Y493-L496 PolarHBondContact O-N 2.75Å; Y493-T497 WeakPolarHBondContact O-CB 3.36Å; Y493-T497 PolarHBondContact O-N 3.1Å; Y493-T497 PolarHBondContact O-OG1 3.25Å; Y493-L570 HydrophobicContact CD2-CD1 3.47Å; Y493-L570 VanDerWaalsContact CD2-CD1 3.47Å; Y493-L570 HydrophobicContact CD2-CG 4.15Å; Y493-L570 HydrophobicContact CE2-CD1 3.54Å; Y493-L570 HydrophobicContact CE2-CG 3.94Å; Y493-L570 HydrophobicContact CG-CD1 4.46Å; Y493-A573 HydrophobicContact CD2-CB 4.47Å; Y493-K574 HydrophobicContact CD2-CB 3.63Å; Y493-K574 HydrophobicContact CD2-CG 4.16Å; Y493-K574 HydrophobicContact CE2-CB 3.53Å; Y493-K574 HydrophobicContact CE2-CD 3.91Å; Y493-K574 HydrophobicContact CE2-CG 3.64Å; Y493-D577 WeakPolarHBondContact CB-OD2 3.41Å
494	K	83.5	Confident	70.3	Confident	145 Å²	145	85.1 Å²	85.1	63%	0.63	45%	0.446	S	S	*	.	H	α-helix	trans	-63.4	-36.4	177.8	-173.5	171.2	-177.4	173.1	0	111.9	S491 E498	S491-K494 PolarHBondContact O-N 3.47Å; S491-K494 VanDerWaalsContact O-N 3.13Å; S491-K494 WeakPolarHBondContact OG-CB 3.17Å; S491-K494 PolarHBondContact OG-N 3.4Å; K494-E498 PolarHBondContact O-N 2.87Å
495	K	85.8	Confident	73.3	Confident	29 Å²	29	81.4 Å²	81.4	13%	0.126	42%	0.419	C	S	.	.	H	α-helix	trans	-72.6	-40.3	175.7	-172.6	65.4	-167.4	171.9	0	113	S491 P492 Y493 T497 E498 C499 E510 Y511 F514	S491-K495 PolarHBondContact O-N 3.41Å; P492-K495 PolarHBondContact O-N 3.04Å; Y493-K495 VanDerWaalsContact C-N 3.31Å; Y493-K495 PolarHBondContact O-N 3.1Å; K495-T497 VanDerWaalsContact C-N 3.32Å; K495-T497 PolarHBondContact O-N 3.03Å; K495-E498 WeakPolarHBondContact CD-OE2 3.32Å; K495-E498 VanDerWaalsContact NZ-CD 3.28Å; K495-E498 IonicContact NZ-OE1 2.73Å; K495-E498 PolarHBondContact NZ-OE1 3.27Å; K495-E498 IonicContact NZ-OE2 3.14Å; K495-E498 PolarHBondContact NZ-OE2 2.88Å; K495-E498 WeakPolarHBondContact O-CB 3.48Å; K495-E498 PolarHBondContact O-N 2.96Å; K495-C499 PolarHBondContact O-N 3.31Å; K495-C499 VanDerWaalsContact O-N 3.09Å; K495-C499 PolarHBondContact O-SG 3.25Å; K495-E510 VanDerWaalsContact CE-OE1 3.29Å; K495-E510 WeakPolarHBondContact CE-OE1 3.3Å; K495-E510 IonicContact NZ-OE1 3.92Å; K495-E510 PolarHBondContact NZ-OE1 2.91Å; K495-Y511 HydrophobicContact CG-CD2 4.45Å; K495-F514 HydrophobicContact CB-CD1 4.05Å; K495-F514 HydrophobicContact CB-CE1 3.85Å; K495-F514 HydrophobicContact CB-CE2 4.46Å; K495-F514 HydrophobicContact CB-CG 4.44Å; K495-F514 HydrophobicContact CB-CZ 4.07Å; K495-F514 HydrophobicContact CD-CD2 4.3Å; K495-F514 HydrophobicContact CD-CG 4.44Å; K495-F514 HydrophobicContact CG-CB 4.23Å; K495-F514 HydrophobicContact CG-CD1 3.78Å; K495-F514 HydrophobicContact CG-CD2 4Å; K495-F514 HydrophobicContact CG-CE1 4.08Å; K495-F514 HydrophobicContact CG-CE2 4.28Å; K495-F514 HydrophobicContact CG-CG 3.74Å; K495-F514 HydrophobicContact CG-CZ 4.32Å
496	L	84.3	Confident	75.4	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-60.5	-41.6	173.5	-80.4	158.8	0	0	0	112	P492 Y493 E498 C499 Q500 Y511 M566 L569 L570 A573	P492-L496 WeakPolarHBondContact O-CB 3.13Å; P492-L496 WeakPolarHBondContact O-CG 3.47Å; P492-L496 PolarHBondContact O-N 3.06Å; Y493-L496 PolarHBondContact O-N 2.75Å; L496-E498 VanDerWaalsContact C-N 3.32Å; L496-E498 PolarHBondContact O-N 2.81Å; L496-C499 CarbonylContact O-C 3.55Å; L496-C499 WeakPolarHBondContact O-CA 3.29Å; L496-C499 WeakPolarHBondContact O-CB 3.42Å; L496-C499 PolarHBondContact O-N 2.87Å; L496-Q500 PolarHBondContact O-N 2.91Å; L496-Y511 HydrophobicContact CD1-CD2 4.27Å; L496-Y511 HydrophobicContact CD1-CE1 4.18Å; L496-Y511 HydrophobicContact CD1-CE2 3.77Å; L496-Y511 HydrophobicContact CD2-CD1 3.64Å; L496-Y511 HydrophobicContact CD2-CD2 3.73Å; L496-Y511 HydrophobicContact CD2-CE1 3.98Å; L496-Y511 HydrophobicContact CD2-CE2 4.06Å; L496-Y511 HydrophobicContact CD2-CG 3.48Å; L496-Y511 VanDerWaalsContact CD2-CG 3.48Å; L496-Y511 HydrophobicContact CG-CD1 4.22Å; L496-Y511 HydrophobicContact CG-CD2 3.52Å; L496-Y511 HydrophobicContact CG-CE1 4.23Å; L496-Y511 HydrophobicContact CG-CE2 3.53Å; L496-Y511 HydrophobicContact CG-CG 3.86Å; L496-M566 HydrophobicContact CD2-CG 3.84Å; L496-L569 HydrophobicContact CD1-CB 4.02Å; L496-L569 WeakPolarHBondContact CD1-O 3.45Å; L496-L569 HydrophobicContact CD2-CB 4.09Å; L496-L570 HydrophobicContact CB-CD1 3.63Å; L496-A573 HydrophobicContact CD1-CB 3.76Å
497	T	83.6	Confident	77.9	Confident	58 Å²	58	72 Å²	72	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-40.5	175.8	-52.1	0	0	0	0	111.7	Y493 K495 C499 Q500	Y493-T497 WeakPolarHBondContact O-CB 3.36Å; Y493-T497 PolarHBondContact O-N 3.1Å; Y493-T497 PolarHBondContact O-OG1 3.25Å; K495-T497 VanDerWaalsContact C-N 3.32Å; K495-T497 PolarHBondContact O-N 3.03Å; T497-C499 VanDerWaalsContact C-N 3.28Å; T497-C499 PolarHBondContact O-N 3.4Å; T497-Q500 PolarHBondContact O-N 2.96Å
498	E	85.4	Confident	80.5	Confident	86 Å²	86	64 Å²	64	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-31.2	172.5	-163.4	-145.8	128.5	0	0	112.4	K494 K495 L496 K502	K494-E498 PolarHBondContact O-N 2.87Å; K495-E498 WeakPolarHBondContact CD-OE2 3.32Å; K495-E498 VanDerWaalsContact NZ-CD 3.28Å; K495-E498 IonicContact NZ-OE1 2.73Å; K495-E498 PolarHBondContact NZ-OE1 3.27Å; K495-E498 IonicContact NZ-OE2 3.14Å; K495-E498 PolarHBondContact NZ-OE2 2.88Å; K495-E498 WeakPolarHBondContact O-CB 3.48Å; K495-E498 PolarHBondContact O-N 2.96Å; L496-E498 VanDerWaalsContact C-N 3.32Å; L496-E498 PolarHBondContact O-N 2.81Å; E498-K502 IonicContact OE1-NZ 2.71Å; E498-K502 PolarHBondContact OE1-NZ 3.28Å
499	C	85.7	Confident	82.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-78.3	-22.4	-180	-64.7	0	0	0	0	113.5	K495 L496 T497 L501 K502 M566	K495-C499 PolarHBondContact O-N 3.31Å; K495-C499 VanDerWaalsContact O-N 3.09Å; K495-C499 PolarHBondContact O-SG 3.25Å; L496-C499 CarbonylContact O-C 3.55Å; L496-C499 WeakPolarHBondContact O-CA 3.29Å; L496-C499 WeakPolarHBondContact O-CB 3.42Å; L496-C499 PolarHBondContact O-N 2.87Å; T497-C499 VanDerWaalsContact C-N 3.28Å; T497-C499 PolarHBondContact O-N 3.4Å; C499-L501 PolarHBondContact O-N 3.44Å; C499-K502 PolarHBondContact O-N 3.36Å; C499-M566 HydrophobicContact CB-SD 4.15Å
500	Q	80.6	Confident	84.5	Confident	94 Å²	94	55.2 Å²	55.2	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-24.7	171.9	-79.4	-172.1	-39.7	0	0	113.7	L496 T497 K502 M566	L496-Q500 PolarHBondContact O-N 2.91Å; T497-Q500 PolarHBondContact O-N 2.96Å; Q500-K502 PolarHBondContact O-N 3.21Å; Q500-M566 HydrophobicContact CB-CE 4.39Å; Q500-M566 HydrophobicContact CG-CE 3.86Å
501	L	81.3	Confident	85.6	Confident	158 Å²	158	54.3 Å²	54.3	83%	0.827	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	4.9	176.5	-59.3	178.3	0	0	0	113.5	C499	C499-L501 PolarHBondContact O-N 3.44Å
502	K	86.5	Confident	86.1	Confident	66 Å²	66	52.7 Å²	52.7	29%	0.287	27%	0.268	S	S	.	.	S	Bend	trans	-119.4	170.2	-176.3	-60.3	168.9	-169.5	162.8	0	109.5	E498 C499 Q500 E510	E498-K502 IonicContact OE1-NZ 2.71Å; E498-K502 PolarHBondContact OE1-NZ 3.28Å; C499-K502 PolarHBondContact O-N 3.36Å; Q500-K502 PolarHBondContact O-N 3.21Å; K502-E510 VanDerWaalsContact CD-OE2 3.27Å; K502-E510 WeakPolarHBondContact CD-OE2 3.46Å; K502-E510 WeakPolarHBondContact CE-OE2 3.35Å; K502-E510 IonicContact NZ-OE1 2.75Å; K502-E510 PolarHBondContact NZ-OE1 2.94Å; K502-E510 IonicContact NZ-OE2 3.17Å; K502-E510 PolarHBondContact NZ-OE2 3.1Å
503	N	90.5	Very high	86.4	Confident	71 Å²	71	57.5 Å²	57.5	38%	0.38	29%	0.286	S	S	.	.			trans	-60.9	133.4	175.3	-171.5	-104	0	0	0	110	V505 S506 G507 Q559	N503-V505 VanDerWaalsContact C-N 3.3Å; N503-V505 PolarHBondContact O-N 3.01Å; N503-V505 VanDerWaalsContact O-N 3.11Å; N503-S506 CarbonylContact O-C 3.51Å; N503-S506 WeakPolarHBondContact O-CA 3.16Å; N503-S506 WeakPolarHBondContact O-CB 3.44Å; N503-S506 PolarHBondContact O-N 3.1Å; N503-G507 PolarHBondContact O-N 2.9Å; N503-Q559 PolarHBondContact ND2-NE2 2.88Å; N503-Q559 PolarHBondContact OD1-NE2 3.37Å
504	P	87.5	Confident	86.6	Confident	22 Å²	22	57.1 Å²	57.1	14%	0.143	29%	0.285	C	S	.	.	H	α-helix	trans	-52	-42.4	-170	-32.4	36.4	0	0	0	114.8	S506 G507 L508 A562 M563	P504-S506 VanDerWaalsContact C-N 3.33Å; P504-S506 PolarHBondContact O-N 3.26Å; P504-G507 PolarHBondContact O-N 3.11Å; P504-L508 VanDerWaalsContact O-CB 3.24Å; P504-L508 WeakPolarHBondContact O-CB 3.43Å; P504-L508 PolarHBondContact O-N 2.8Å; P504-A562 HydrophobicContact CB-CB 3.87Å; P504-M563 HydrophobicContact CB-CB 4.32Å; P504-M563 HydrophobicContact CG-CB 4.46Å; P504-M563 HydrophobicContact CG-CE 4.01Å
505	V	89.3	Confident	86.4	Confident	22 Å²	22	51.7 Å²	51.7	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-38.9	177.1	178.6	0	0	0	0	111.7	N503 L509 F521 K558 Q559 A562	N503-V505 VanDerWaalsContact C-N 3.3Å; N503-V505 PolarHBondContact O-N 3.01Å; N503-V505 VanDerWaalsContact O-N 3.11Å; V505-L509 HydrophobicContact CG1-CD1 4.23Å; V505-L509 WeakPolarHBondContact O-CB 3.23Å; V505-L509 WeakPolarHBondContact O-CD1 3.22Å; V505-L509 VanDerWaalsContact O-CG 3.25Å; V505-L509 WeakPolarHBondContact O-CG 3.39Å; V505-L509 PolarHBondContact O-N 3.47Å; V505-F521 HydrophobicContact CB-CZ 4.47Å; V505-F521 HydrophobicContact CG1-CE1 4.44Å; V505-F521 HydrophobicContact CG1-CE2 4.15Å; V505-F521 HydrophobicContact CG1-CZ 3.9Å; V505-F521 HydrophobicContact CG2-CE1 4.45Å; V505-K558 HydrophobicContact CG2-CG 4.03Å; V505-K558 WeakPolarHBondContact CG2-O 3.48Å; V505-Q559 HydrophobicContact CG2-CB 4.49Å; V505-Q559 HydrophobicContact CG2-CG 3.79Å; V505-A562 HydrophobicContact CB-CB 4.44Å; V505-A562 HydrophobicContact CG2-CB 3.84Å
506	S	90.2	Very high	86.2	Confident	68 Å²	68	55.7 Å²	55.7	48%	0.476	30%	0.299	S	S	.	.	H	α-helix	trans	-75.5	-41.6	179	-56	0	0	0	0	112.4	N503 P504 L509 E510	N503-S506 CarbonylContact O-C 3.51Å; N503-S506 WeakPolarHBondContact O-CA 3.16Å; N503-S506 WeakPolarHBondContact O-CB 3.44Å; N503-S506 PolarHBondContact O-N 3.1Å; P504-S506 VanDerWaalsContact C-N 3.33Å; P504-S506 PolarHBondContact O-N 3.26Å; S506-L509 PolarHBondContact O-N 3.39Å; S506-E510 WeakPolarHBondContact O-CB 3.48Å; S506-E510 PolarHBondContact O-N 3.21Å
507	G	89.4	Confident	86.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-41.9	177.3	0	0	0	0	0	111.9	N503 P504 E510 Y511	N503-G507 PolarHBondContact O-N 2.9Å; P504-G507 PolarHBondContact O-N 3.11Å; G507-E510 PolarHBondContact O-N 3.38Å; G507-Y511 PolarHBondContact O-N 3.49Å
508	L	89.8	Confident	86.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-36.3	178	-170.3	60.3	0	0	0	112.7	P504 A512 F521 V539 I541 A562 A565 M566 L569	P504-L508 VanDerWaalsContact O-CB 3.24Å; P504-L508 WeakPolarHBondContact O-CB 3.43Å; P504-L508 PolarHBondContact O-N 2.8Å; L508-A512 WeakPolarHBondContact O-CB 3.35Å; L508-A512 PolarHBondContact O-N 3.36Å; L508-F521 HydrophobicContact CD2-CZ 4.3Å; L508-V539 HydrophobicContact CD2-CB 4.5Å; L508-V539 HydrophobicContact CD2-CG1 3.87Å; L508-V539 HydrophobicContact CD2-CG2 4.25Å; L508-I541 HydrophobicContact CD1-CD1 3.7Å; L508-I541 HydrophobicContact CD2-CD1 4.15Å; L508-I541 HydrophobicContact CG-CD1 3.97Å; L508-A562 HydrophobicContact CD2-CB 4.02Å; L508-A565 HydrophobicContact CD2-CB 3.74Å; L508-M566 HydrophobicContact CB-SD 4.25Å; L508-M566 HydrophobicContact CD1-CB 4.08Å; L508-M566 HydrophobicContact CD1-CG 4.19Å; L508-L569 HydrophobicContact CD1-CD1 3.64Å
509	L	90.3	Very high	86.5	Confident	76 Å²	76	57.4 Å²	57.4	40%	0.398	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-39.5	172	-76.2	169.4	0	0	0	112.2	V505 S506 A512 Q513 C519 F521	V505-L509 HydrophobicContact CG1-CD1 4.23Å; V505-L509 WeakPolarHBondContact O-CB 3.23Å; V505-L509 WeakPolarHBondContact O-CD1 3.22Å; V505-L509 VanDerWaalsContact O-CG 3.25Å; V505-L509 WeakPolarHBondContact O-CG 3.39Å; V505-L509 PolarHBondContact O-N 3.47Å; S506-L509 PolarHBondContact O-N 3.39Å; L509-A512 PolarHBondContact O-N 3.27Å; L509-Q513 WeakPolarHBondContact O-CB 3.41Å; L509-Q513 PolarHBondContact O-N 3.31Å; L509-C519 HydrophobicContact CD2-CB 4.07Å; L509-F521 HydrophobicContact CD1-CE2 4.38Å; L509-F521 HydrophobicContact CD2-CE2 4.13Å; L509-F521 HydrophobicContact CG-CE2 4.1Å
510	E	89.4	Confident	86.7	Confident	60 Å²	60	62.9 Å²	62.9	28%	0.28	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-39.7	175.4	-168.8	-175.5	142.6	0	0	111.7	K495 K502 S506 G507 F514	K495-E510 VanDerWaalsContact CE-OE1 3.29Å; K495-E510 WeakPolarHBondContact CE-OE1 3.3Å; K495-E510 IonicContact NZ-OE1 3.92Å; K495-E510 PolarHBondContact NZ-OE1 2.91Å; K502-E510 VanDerWaalsContact CD-OE2 3.27Å; K502-E510 WeakPolarHBondContact CD-OE2 3.46Å; K502-E510 WeakPolarHBondContact CE-OE2 3.35Å; K502-E510 IonicContact NZ-OE1 2.75Å; K502-E510 PolarHBondContact NZ-OE1 2.94Å; K502-E510 IonicContact NZ-OE2 3.17Å; K502-E510 PolarHBondContact NZ-OE2 3.1Å; S506-E510 WeakPolarHBondContact O-CB 3.48Å; S506-E510 PolarHBondContact O-N 3.21Å; G507-E510 PolarHBondContact O-N 3.38Å; E510-F514 WeakPolarHBondContact O-CB 3.48Å; E510-F514 PolarHBondContact O-N 2.79Å
511	Y	87.3	Confident	87.3	Confident	20 Å²	20	59.8 Å²	59.8	8%	0.078	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-45.1	174	176.4	-105.5	0	0	0	112.5	P492 K495 L496 G507 Q513 F514 A515 L569	P492-Y511 HydrophobicContact CB-CE2 4.16Å; K495-Y511 HydrophobicContact CG-CD2 4.45Å; L496-Y511 HydrophobicContact CD1-CD2 4.27Å; L496-Y511 HydrophobicContact CD1-CE1 4.18Å; L496-Y511 HydrophobicContact CD1-CE2 3.77Å; L496-Y511 HydrophobicContact CD2-CD1 3.64Å; L496-Y511 HydrophobicContact CD2-CD2 3.73Å; L496-Y511 HydrophobicContact CD2-CE1 3.98Å; L496-Y511 HydrophobicContact CD2-CE2 4.06Å; L496-Y511 HydrophobicContact CD2-CG 3.48Å; L496-Y511 VanDerWaalsContact CD2-CG 3.48Å; L496-Y511 HydrophobicContact CG-CD1 4.22Å; L496-Y511 HydrophobicContact CG-CD2 3.52Å; L496-Y511 HydrophobicContact CG-CE1 4.23Å; L496-Y511 HydrophobicContact CG-CE2 3.53Å; L496-Y511 HydrophobicContact CG-CG 3.86Å; G507-Y511 PolarHBondContact O-N 3.49Å; Y511-Q513 VanDerWaalsContact C-N 3.29Å; Y511-Q513 PolarHBondContact O-N 3.46Å; Y511-F514 HydrophobicContact CD2-CD1 4.19Å; Y511-F514 HydrophobicContact CE2-CD1 4.18Å; Y511-F514 WeakPolarHBondContact O-CB 3.48Å; Y511-F514 PolarHBondContact O-N 2.82Å; Y511-F514 VanDerWaalsContact O-N 3.09Å; Y511-A515 HydrophobicContact CE1-CB 4.43Å; Y511-A515 WeakPolarHBondContact O-CB 3.42Å; Y511-A515 PolarHBondContact O-N 3.11Å; Y511-L569 HydrophobicContact CD1-CD1 4.02Å; Y511-L569 HydrophobicContact CE1-CD1 3.92Å; Y511-L569 HydrophobicContact CE1-CD2 4.29Å; Y511-L569 HydrophobicContact CE1-CG 4.49Å
512	A	87.6	Confident	87.7	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-42.2	176	0	0	0	0	0	111.3	L508 L509 F514 A515 S516 Q517 C519	L508-A512 WeakPolarHBondContact O-CB 3.35Å; L508-A512 PolarHBondContact O-N 3.36Å; L509-A512 PolarHBondContact O-N 3.27Å; A512-F514 PolarHBondContact O-N 3.01Å; A512-A515 CarbonylContact O-C 3.54Å; A512-A515 PolarHBondContact O-N 2.87Å; A512-S516 PolarHBondContact O-N 2.96Å; A512-Q517 CarbonylContact C-O 3.2Å; A512-Q517 PolarHBondContact O-N 2.94Å; A512-C519 HydrophobicContact CB-CB 3.49Å; A512-C519 VanDerWaalsContact CB-CB 3.49Å
513	Q	83.3	Confident	87.8	Confident	159 Å²	159	56.3 Å²	56.3	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-61.9	-41.3	173.3	-172.8	177.3	11.2	0	0	112.5	L509 Y511 S516	L509-Q513 WeakPolarHBondContact O-CB 3.41Å; L509-Q513 PolarHBondContact O-N 3.31Å; Y511-Q513 VanDerWaalsContact C-N 3.29Å; Y511-Q513 PolarHBondContact O-N 3.46Å; Q513-S516 PolarHBondContact O-N 2.99Å
514	F	86.6	Confident	87.7	Confident	63 Å²	63	57.2 Å²	57.2	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-39.9	174.7	169.2	-94.3	0	0	0	112.5	P488 C490 K495 E510 Y511 A512 S516	P488-F514 HydrophobicContact CB-CE2 4Å; P488-F514 HydrophobicContact CB-CZ 3.71Å; P488-F514 HydrophobicContact CG-CZ 4.48Å; C490-F514 HydrophobicContact CB-CE2 4.29Å; C490-F514 HydrophobicContact CB-CZ 4.13Å; K495-F514 HydrophobicContact CB-CD1 4.05Å; K495-F514 HydrophobicContact CB-CE1 3.85Å; K495-F514 HydrophobicContact CB-CE2 4.46Å; K495-F514 HydrophobicContact CB-CG 4.44Å; K495-F514 HydrophobicContact CB-CZ 4.07Å; K495-F514 HydrophobicContact CD-CD2 4.3Å; K495-F514 HydrophobicContact CD-CG 4.44Å; K495-F514 HydrophobicContact CG-CB 4.23Å; K495-F514 HydrophobicContact CG-CD1 3.78Å; K495-F514 HydrophobicContact CG-CD2 4Å; K495-F514 HydrophobicContact CG-CE1 4.08Å; K495-F514 HydrophobicContact CG-CE2 4.28Å; K495-F514 HydrophobicContact CG-CG 3.74Å; K495-F514 HydrophobicContact CG-CZ 4.32Å; E510-F514 WeakPolarHBondContact O-CB 3.48Å; E510-F514 PolarHBondContact O-N 2.79Å; Y511-F514 HydrophobicContact CD2-CD1 4.19Å; Y511-F514 HydrophobicContact CE2-CD1 4.18Å; Y511-F514 WeakPolarHBondContact O-CB 3.48Å; Y511-F514 PolarHBondContact O-N 2.82Å; Y511-F514 VanDerWaalsContact O-N 3.09Å; A512-F514 PolarHBondContact O-N 3.01Å; F514-S516 PolarHBondContact O-N 3.29Å
515	A	81.3	Confident	87.7	Confident	32 Å²	32	59.9 Å²	59.9	26%	0.264	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.9	177.4	0	0	0	0	0	113.9	Y511 A512 Q517	Y511-A515 HydrophobicContact CE1-CB 4.43Å; Y511-A515 WeakPolarHBondContact O-CB 3.42Å; Y511-A515 PolarHBondContact O-N 3.11Å; A512-A515 CarbonylContact O-C 3.54Å; A512-A515 PolarHBondContact O-N 2.87Å; A515-Q517 VanDerWaalsContact C-N 3.25Å; A515-Q517 HydrophobicContact CB-CB 4.42Å; A515-Q517 HydrophobicContact CB-CG 4.03Å; A515-Q517 PolarHBondContact O-N 3.5Å
516	S	81.1	Confident	87.7	Confident	112 Å²	112	64.3 Å²	64.3	78%	0.783	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	32.7	-172.2	-49	0	0	0	0	114.2	A512 Q513 F514	A512-S516 PolarHBondContact O-N 2.96Å; Q513-S516 PolarHBondContact O-N 2.99Å; F514-S516 PolarHBondContact O-N 3.29Å
517	Q	86.3	Confident	87.5	Confident	74 Å²	74	62.7 Å²	62.7	35%	0.346	33%	0.328	S	S	.	.			trans	-107	144.6	-177.8	-70.8	177.1	-5.9	0	0	111.6	A512 A515 I541 N542	A512-Q517 CarbonylContact C-O 3.2Å; A512-Q517 PolarHBondContact O-N 2.94Å; A515-Q517 VanDerWaalsContact C-N 3.25Å; A515-Q517 HydrophobicContact CB-CB 4.42Å; A515-Q517 HydrophobicContact CB-CG 4.03Å; A515-Q517 PolarHBondContact O-N 3.5Å; Q517-I541 HydrophobicContact CB-CG2 3.89Å; Q517-N542 HydrophobicContact CB-CB 4.08Å; Q517-N542 HydrophobicContact CG-CB 3.97Å
518	T	82.3	Confident	87.1	Confident	85 Å²	85	65 Å²	65	52%	0.521	35%	0.352	S	S	.	.			trans	-70.4	147.5	167.3	52.8	0	0	0	0	110.3	I541 N542	T518-I541 CarbonylContact O-C 3.22Å; T518-I541 VanDerWaalsContact O-CA 3.22Å; T518-I541 WeakPolarHBondContact O-CA 3.48Å; T518-I541 WeakPolarHBondContact O-CG2 3.17Å; T518-N542 PolarHBondContact O-N 3.21Å
519	C	90.5	Very high	86.4	Confident	22 Å²	22	67.6 Å²	67.6	15%	0.149	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	114.1	179.7	174.6	0	0	0	0	110.1	L509 A512 V540 I541	L509-C519 HydrophobicContact CD2-CB 4.07Å; A512-C519 HydrophobicContact CB-CB 3.49Å; A512-C519 VanDerWaalsContact CB-CB 3.49Å; C519-V540 WeakPolarHBondContact CA-O 3.36Å; C519-I541 HydrophobicContact CB-CG1 4.18Å
520	E	89.8	Confident	85.6	Confident	115 Å²	115	70.2 Å²	70.2	54%	0.537	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.8	-173.5	-61.3	-170.1	172.7	0	0	111.2	V539 V540	E520-V539 WeakPolarHBondContact O-CA 3.22Å; E520-V539 VanDerWaalsContact O-CG1 3.3Å; E520-V539 WeakPolarHBondContact O-CG1 3.45Å; E520-V540 PolarHBondContact N-O 3.24Å; E520-V540 PolarHBondContact O-N 3.48Å
521	F	93.4	Very high	84.9	Confident	29 Å²	29	75.2 Å²	75.2	13%	0.127	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	91.5	-171.4	-77.1	-86.1	0	0	0	110.3	V505 L508 L509 Q538 V539 K558 A562	V505-F521 HydrophobicContact CB-CZ 4.47Å; V505-F521 HydrophobicContact CG1-CE1 4.44Å; V505-F521 HydrophobicContact CG1-CE2 4.15Å; V505-F521 HydrophobicContact CG1-CZ 3.9Å; V505-F521 HydrophobicContact CG2-CE1 4.45Å; L508-F521 HydrophobicContact CD2-CZ 4.3Å; L509-F521 HydrophobicContact CD1-CE2 4.38Å; L509-F521 HydrophobicContact CD2-CE2 4.13Å; L509-F521 HydrophobicContact CG-CE2 4.1Å; F521-Q538 CarbonylContact C-O 3.15Å; F521-Q538 WeakPolarHBondContact CA-O 3.36Å; F521-V539 HydrophobicContact CD1-CB 4.48Å; F521-V539 HydrophobicContact CD1-CG1 4.21Å; F521-V539 HydrophobicContact CD1-CG2 3.83Å; F521-V539 HydrophobicContact CE1-CB 4.37Å; F521-V539 HydrophobicContact CE1-CG1 3.93Å; F521-V539 HydrophobicContact CE1-CG2 3.56Å; F521-V539 HydrophobicContact CE2-CG1 4.5Å; F521-V539 HydrophobicContact CZ-CG1 4.1Å; F521-V539 HydrophobicContact CZ-CG2 4.43Å; F521-K558 HydrophobicContact CB-CD 4.12Å; F521-K558 HydrophobicContact CD1-CD 4.11Å; F521-K558 HydrophobicContact CD1-CG 3.74Å; F521-K558 HydrophobicContact CE1-CG 4.19Å; F521-K558 HydrophobicContact CG-CD 4.19Å; F521-K558 HydrophobicContact CG-CG 4.33Å; F521-A562 HydrophobicContact CE1-CB 3.93Å; F521-A562 HydrophobicContact CZ-CB 4.27Å
522	N	88.9	Confident	84.2	Confident	68 Å²	68	79.8 Å²	79.8	36%	0.364	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.5	-171.6	-64.8	-18.9	0	0	0	110.2	F537 Q538	N522-F537 CarbonylContact O-C 3.58Å; N522-F537 WeakPolarHBondContact O-CA 3.29Å; N522-Q538 PolarHBondContact N-O 2.98Å; N522-Q538 PolarHBondContact O-N 2.88Å
523	M	90.1	Very high	84.2	Confident	82 Å²	82	81.7 Å²	81.7	40%	0.404	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	95.6	173.1	-173.6	-173.8	81.4	0	0	107.1	K536 F537 K554	M523-K536 CarbonylContact C-O 3.47Å; M523-K536 WeakPolarHBondContact CA-O 3.39Å; M523-F537 HydrophobicContact CB-CD1 4.25Å; M523-F537 HydrophobicContact CB-CD2 4.48Å; M523-F537 HydrophobicContact CB-CE1 3.74Å; M523-F537 HydrophobicContact CB-CE2 4.01Å; M523-F537 HydrophobicContact CB-CZ 3.62Å; M523-F537 HydrophobicContact CG-CD2 4.2Å; M523-F537 HydrophobicContact CG-CE1 4.32Å; M523-F537 HydrophobicContact CG-CE2 3.64Å; M523-F537 HydrophobicContact CG-CZ 3.73Å; M523-F537 HydrophobicContact SD-CE2 4.11Å; M523-F537 HydrophobicContact SD-CZ 4.07Å; M523-K554 HydrophobicContact SD-CD 3.78Å; M523-K554 VanDerWaalsContact SD-CE 3.56Å; M523-K554 PolarHBondContact SD-NZ 3.03Å
524	I	87.7	Confident	84.4	Confident	90 Å²	90	79.4 Å²	79.4	46%	0.462	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-46.6	-177.3	-57.4	178.3	0	0	0	109.9	K536 Q538 P548	I524-K536 PolarHBondContact N-O 3.05Å; I524-Q538 HydrophobicContact CD1-CB 3.81Å; I524-Q538 HydrophobicContact CD1-CG 4.18Å; I524-Q538 HydrophobicContact CG1-CB 4.05Å; I524-P548 HydrophobicContact CD1-CB 4.12Å; I524-P548 HydrophobicContact CD1-CG 4.48Å
525	E	86.9	Confident	84.7	Confident	78 Å²	78	77.4 Å²	77.4	36%	0.364	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.3	-161.7	-148.9	-178.5	146.1	0	0	111.3	K536	E525-K536 HydrophobicContact CB-CB 3.63Å; E525-K536 HydrophobicContact CB-CD 3.7Å; E525-K536 HydrophobicContact CB-CG 4.35Å; E525-K536 PolarHBondContact O-N 2.87Å; E525-K536 WeakPolarHBondContact OE2-CD 3.43Å; E525-K536 WeakPolarHBondContact OE2-CE 3.3Å; E525-K536 IonicContact OE2-NZ 3.08Å; E525-K536 PolarHBondContact OE2-NZ 2.83Å
526	Q	89.9	Confident	85.3	Confident	115 Å²	115	78.8 Å²	78.8	54%	0.537	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	114.3	167.4	173.9	176.6	-35.7	0	0	107.1	R534 F535 K554	Q526-R534 WeakPolarHBondContact CA-O 3.29Å; Q526-F535 HydrophobicContact CB-CD1 4.12Å; Q526-F535 VanDerWaalsContact CD-CE1 3.44Å; Q526-F535 HydrophobicContact CG-CD1 3.66Å; Q526-F535 HydrophobicContact CG-CE1 3.63Å; Q526-K554 VanDerWaalsContact OE1-CE 3.29Å
527	S	84.8	Confident	85.9	Confident	34 Å²	34	74.3 Å²	74.3	24%	0.238	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-176.7	-170.3	61	0	0	0	0	110.5	R534	S527-R534 PolarHBondContact N-O 2.66Å; S527-R534 PolarHBondContact O-N 3.25Å
528	G	80.9	Confident	86.4	Confident	49 Å²	49	71.7 Å²	71.7	51%	0.505	38%	0.378	S	S	.	.	S	Bend	trans	80.2	164	-178	0	0	0	0	0	114.4
529	P	75.9	Confident	87	Confident	54 Å²	54	67.6 Å²	67.6	35%	0.351	35%	0.353	S	S	.	.			trans	-71.9	162.8	-179.2	31.1	-35.9	0	0	0	112	H531 E532	P529-H531 VanDerWaalsContact CG-NE2 3.28Å; P529-H531 WeakPolarHBondContact CG-NE2 3.42Å; P529-H531 PolarHBondContact O-N 2.61Å; P529-E532 HydrophobicContact CG-CB 4.14Å; P529-E532 CarbonylContact O-C 3.49Å; P529-E532 PolarHBondContact O-N 3.11Å
530	P	73.6	Confident	87	Confident	132 Å²	132	67.4 Å²	67.4	86%	0.857	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.4	-177.8	-26.9	35.9	0	0	0	115.7
531	H	74.4	Confident	87.1	Confident	164 Å²	164	62.1 Å²	62.1	76%	0.759	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.6	175.4	53.3	-108.2	0	0	0	113.9	P529	P529-H531 VanDerWaalsContact CG-NE2 3.28Å; P529-H531 WeakPolarHBondContact CG-NE2 3.42Å; P529-H531 PolarHBondContact O-N 2.61Å
532	E	73.3	Confident	86.6	Confident	116 Å²	116	65.7 Å²	65.7	54%	0.542	35%	0.347	S	S	.	.	S	Bend	trans	-137.7	67.2	175	-161.9	-170.3	165.1	0	0	111.1	P529 R534	P529-E532 HydrophobicContact CG-CB 4.14Å; P529-E532 CarbonylContact O-C 3.49Å; P529-E532 PolarHBondContact O-N 3.11Å; E532-R534 PolarHBondContact O-N 3.12Å
533	P	86.9	Confident	86	Confident	42 Å²	42	65.6 Å²	65.6	27%	0.273	36%	0.361	S	S	.	.			trans	-76	121.1	-176.5	31.1	-35.2	0	0	0	110.9	F535 G552	P533-F535 HydrophobicContact CB-CE1 4.38Å; P533-F535 HydrophobicContact CB-CE2 3.98Å; P533-F535 HydrophobicContact CB-CZ 3.68Å; P533-F535 HydrophobicContact CG-CE2 4.03Å; P533-F535 HydrophobicContact CG-CZ 3.95Å; P533-F535 WeakPolarHBondContact O-CD2 3.37Å; P533-F535 WeakPolarHBondContact O-CE2 3.48Å; P533-G552 CarbonylContact O-C 3.58Å; P533-G552 WeakPolarHBondContact O-CA 3.19Å
534	R	88.8	Confident	85.9	Confident	111 Å²	111	67.1 Å²	67.1	42%	0.419	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.5	177.8	-50.7	179.3	112.7	-128.4	9.5	109.8	Q526 S527 E532 E550	Q526-R534 WeakPolarHBondContact CA-O 3.29Å; S527-R534 PolarHBondContact N-O 2.66Å; S527-R534 PolarHBondContact O-N 3.25Å; E532-R534 PolarHBondContact O-N 3.12Å; R534-E550 HydrophobicContact CB-CG 4.2Å; R534-E550 WeakPolarHBondContact CB-OE1 3.45Å; R534-E550 WeakPolarHBondContact CD-OE1 3.44Å; R534-E550 IonicContact CZ-OE1 2.68Å; R534-E550 IonicContact NE-OE1 2.84Å; R534-E550 IonicContact NH1-OE1 2.78Å; R534-E550 PolarHBondContact NH1-OE1 3.41Å; R534-E550 IonicContact NH1-OE2 2.97Å; R534-E550 PolarHBondContact NH1-OE2 3.21Å; R534-E550 VanDerWaalsContact NH1-OE2 3.08Å
535	F	92.7	Very high	86.1	Confident	22 Å²	22	68.9 Å²	68.9	10%	0.096	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.3	-176.4	-51.5	-82.1	0	0	0	110.1	Q526 P533 F537 E550 A551 S553 K554 A557	Q526-F535 HydrophobicContact CB-CD1 4.12Å; Q526-F535 VanDerWaalsContact CD-CE1 3.44Å; Q526-F535 HydrophobicContact CG-CD1 3.66Å; Q526-F535 HydrophobicContact CG-CE1 3.63Å; P533-F535 HydrophobicContact CB-CE1 4.38Å; P533-F535 HydrophobicContact CB-CE2 3.98Å; P533-F535 HydrophobicContact CB-CZ 3.68Å; P533-F535 HydrophobicContact CG-CE2 4.03Å; P533-F535 HydrophobicContact CG-CZ 3.95Å; P533-F535 WeakPolarHBondContact O-CD2 3.37Å; P533-F535 WeakPolarHBondContact O-CE2 3.48Å; F535-F537 HydrophobicContact CB-CE2 4.46Å; F535-E550 VanDerWaalsContact O-CA 3.3Å; F535-E550 WeakPolarHBondContact O-CA 3.34Å; F535-A551 PolarHBondContact N-O 3.29Å; F535-A551 PolarHBondContact O-N 3.03Å; F535-A551 VanDerWaalsContact O-N 3.16Å; F535-S553 VanDerWaalsContact CD2-C 3.44Å; F535-S553 VanDerWaalsContact CD2-CA 3.41Å; F535-K554 HydrophobicContact CB-CG 3.99Å; F535-K554 HydrophobicContact CD1-CD 3.98Å; F535-K554 HydrophobicContact CD1-CG 3.44Å; F535-K554 VanDerWaalsContact CD1-CG 3.44Å; F535-K554 HydrophobicContact CD2-CG 3.99Å; F535-K554 HydrophobicContact CE1-CD 4.11Å; F535-K554 HydrophobicContact CE1-CG 3.76Å; F535-K554 HydrophobicContact CE2-CG 4.3Å; F535-K554 HydrophobicContact CG-CG 3.52Å; F535-K554 HydrophobicContact CZ-CG 4.17Å; F535-A557 HydrophobicContact CB-CB 4.43Å; F535-A557 WeakPolarHBondContact O-CB 3.47Å
536	K	92.9	Very high	86.4	Confident	60 Å²	60	65.5 Å²	65.5	26%	0.261	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.1	-175.2	-160.3	178.5	-166.3	176.8	0	109.5	M523 I524 E525 P548 A549 E550	M523-K536 CarbonylContact C-O 3.47Å; M523-K536 WeakPolarHBondContact CA-O 3.39Å; I524-K536 PolarHBondContact N-O 3.05Å; E525-K536 HydrophobicContact CB-CB 3.63Å; E525-K536 HydrophobicContact CB-CD 3.7Å; E525-K536 HydrophobicContact CB-CG 4.35Å; E525-K536 PolarHBondContact O-N 2.87Å; E525-K536 WeakPolarHBondContact OE2-CD 3.43Å; E525-K536 WeakPolarHBondContact OE2-CE 3.3Å; E525-K536 IonicContact OE2-NZ 3.08Å; E525-K536 PolarHBondContact OE2-NZ 2.83Å; K536-P548 HydrophobicContact CG-CB 4.26Å; K536-A549 WeakPolarHBondContact CA-O 3.2Å; K536-E550 HydrophobicContact CB-CG 4.34Å; K536-E550 HydrophobicContact CG-CB 4.44Å
537	F	94.8	Very high	86.5	Confident	18 Å²	18	63.1 Å²	63.1	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.5	179.1	-89.7	-94.2	0	0	0	111.3	N522 M523 F535 P548 A549 K554 A557 K558 A561	N522-F537 CarbonylContact O-C 3.58Å; N522-F537 WeakPolarHBondContact O-CA 3.29Å; M523-F537 HydrophobicContact CB-CD1 4.25Å; M523-F537 HydrophobicContact CB-CD2 4.48Å; M523-F537 HydrophobicContact CB-CE1 3.74Å; M523-F537 HydrophobicContact CB-CE2 4.01Å; M523-F537 HydrophobicContact CB-CZ 3.62Å; M523-F537 HydrophobicContact CG-CD2 4.2Å; M523-F537 HydrophobicContact CG-CE1 4.32Å; M523-F537 HydrophobicContact CG-CE2 3.64Å; M523-F537 HydrophobicContact CG-CZ 3.73Å; M523-F537 HydrophobicContact SD-CE2 4.11Å; M523-F537 HydrophobicContact SD-CZ 4.07Å; F535-F537 HydrophobicContact CB-CE2 4.46Å; F537-P548 CarbonylContact O-C 3.57Å; F537-P548 WeakPolarHBondContact O-CA 3.22Å; F537-P548 WeakPolarHBondContact O-CB 3.42Å; F537-A549 PolarHBondContact N-O 3.43Å; F537-A549 PolarHBondContact O-N 3.05Å; F537-K554 HydrophobicContact CE2-CB 3.77Å; F537-K554 HydrophobicContact CE2-CG 4.04Å; F537-K554 HydrophobicContact CZ-CB 4.19Å; F537-A557 HydrophobicContact CB-CB 4.27Å; F537-A557 HydrophobicContact CD2-CB 3.82Å; F537-A557 HydrophobicContact CG-CB 4.46Å; F537-K558 HydrophobicContact CB-CB 4.43Å; F537-K558 HydrophobicContact CD1-CB 3.96Å; F537-K558 HydrophobicContact CD1-CD 4.28Å; F537-K558 HydrophobicContact CD1-CG 4.27Å; F537-K558 HydrophobicContact CD2-CB 4.4Å; F537-K558 HydrophobicContact CE1-CB 4.3Å; F537-K558 HydrophobicContact CE1-CD 4.12Å; F537-K558 HydrophobicContact CG-CB 4Å; F537-A561 HydrophobicContact CB-CB 4.13Å; F537-A561 WeakPolarHBondContact O-CB 3.27Å
538	Q	95.1	Very high	86.8	Confident	19 Å²	19	63.7 Å²	63.7	9%	0.089	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.1	178.1	-160.4	-172.1	28.2	0	0	108.8	F521 N522 I524 E545 F546 P548	F521-Q538 CarbonylContact C-O 3.15Å; F521-Q538 WeakPolarHBondContact CA-O 3.36Å; N522-Q538 PolarHBondContact N-O 2.98Å; N522-Q538 PolarHBondContact O-N 2.88Å; I524-Q538 HydrophobicContact CD1-CB 3.81Å; I524-Q538 HydrophobicContact CD1-CG 4.18Å; I524-Q538 HydrophobicContact CG1-CB 4.05Å; Q538-E545 PolarHBondContact NE2-OE2 3.36Å; Q538-F546 WeakPolarHBondContact CG-O 2.99Å; Q538-P548 HydrophobicContact CB-CB 4.32Å; Q538-P548 HydrophobicContact CG-CB 4.36Å
539	V	95.4	Very high	87.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.8	170.4	-160.5	0	0	0	0	108.6	L508 E520 F521 I541 F546 A561 A565	L508-V539 HydrophobicContact CD2-CB 4.5Å; L508-V539 HydrophobicContact CD2-CG1 3.87Å; L508-V539 HydrophobicContact CD2-CG2 4.25Å; E520-V539 WeakPolarHBondContact O-CA 3.22Å; E520-V539 VanDerWaalsContact O-CG1 3.3Å; E520-V539 WeakPolarHBondContact O-CG1 3.45Å; F521-V539 HydrophobicContact CD1-CB 4.48Å; F521-V539 HydrophobicContact CD1-CG1 4.21Å; F521-V539 HydrophobicContact CD1-CG2 3.83Å; F521-V539 HydrophobicContact CE1-CB 4.37Å; F521-V539 HydrophobicContact CE1-CG1 3.93Å; F521-V539 HydrophobicContact CE1-CG2 3.56Å; F521-V539 HydrophobicContact CE2-CG1 4.5Å; F521-V539 HydrophobicContact CZ-CG1 4.1Å; F521-V539 HydrophobicContact CZ-CG2 4.43Å; V539-I541 HydrophobicContact CG1-CD1 4.21Å; V539-I541 HydrophobicContact CG1-CG1 3.93Å; V539-F546 PolarHBondContact O-N 3.19Å; V539-A561 HydrophobicContact CG2-CB 3.92Å; V539-A561 WeakPolarHBondContact CG2-O 3.45Å; V539-A565 HydrophobicContact CB-CB 4.13Å; V539-A565 HydrophobicContact CG2-CB 4.08Å
540	V	92	Very high	88.1	Confident	17 Å²	17	62.6 Å²	62.6	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.4	173	-170.3	0	0	0	0	107.6	C519 E520 R544 E545	C519-V540 WeakPolarHBondContact CA-O 3.36Å; E520-V540 PolarHBondContact N-O 3.24Å; E520-V540 PolarHBondContact O-N 3.48Å; V540-R544 CarbonylContact C-O 3.55Å; V540-R544 VanDerWaalsContact CA-O 3.32Å; V540-R544 WeakPolarHBondContact CA-O 3.45Å; V540-E545 HydrophobicContact CG1-CG 4.38Å; V540-E545 HydrophobicContact CG2-CG 4.1Å
541	I	90.1	Very high	89	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.9	-178.9	-54	176.7	0	0	0	108.7	L508 Q517 T518 C519 V539 G543 R544 F546 L569	L508-I541 HydrophobicContact CD1-CD1 3.7Å; L508-I541 HydrophobicContact CD2-CD1 4.15Å; L508-I541 HydrophobicContact CG-CD1 3.97Å; Q517-I541 HydrophobicContact CB-CG2 3.89Å; T518-I541 CarbonylContact O-C 3.22Å; T518-I541 VanDerWaalsContact O-CA 3.22Å; T518-I541 WeakPolarHBondContact O-CA 3.48Å; T518-I541 WeakPolarHBondContact O-CG2 3.17Å; C519-I541 HydrophobicContact CB-CG1 4.18Å; V539-I541 HydrophobicContact CG1-CD1 4.21Å; V539-I541 HydrophobicContact CG1-CG1 3.93Å; I541-G543 PolarHBondContact O-N 2.85Å; I541-R544 PolarHBondContact N-O 2.78Å; I541-R544 WeakPolarHBondContact O-CB 3.21Å; I541-R544 PolarHBondContact O-N 3.44Å; I541-F546 HydrophobicContact CB-CD2 4.49Å; I541-F546 HydrophobicContact CB-CE2 3.8Å; I541-F546 HydrophobicContact CD1-CD2 4.38Å; I541-F546 HydrophobicContact CD1-CE2 4.02Å; I541-F546 HydrophobicContact CD1-CZ 4.43Å; I541-F546 HydrophobicContact CG1-CD2 4.26Å; I541-F546 HydrophobicContact CG1-CE2 3.95Å; I541-L569 HydrophobicContact CD1-CD1 3.85Å
542	N	83.4	Confident	89.5	Confident	104 Å²	104	52.1 Å²	52.1	56%	0.556	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	42.6	-174.5	-160.8	70.2	0	0	0	113.5	Q517 T518 R544	Q517-N542 HydrophobicContact CB-CB 4.08Å; Q517-N542 HydrophobicContact CG-CB 3.97Å; T518-N542 PolarHBondContact O-N 3.21Å; N542-R544 VanDerWaalsContact C-N 3.26Å; N542-R544 PolarHBondContact O-N 2.85Å
543	G	76.6	Confident	90.3	Very high	65 Å²	65	48.6 Å²	48.6	67%	0.67	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-10.2	-177.3	0	0	0	0	0	115.6	I541	I541-G543 PolarHBondContact O-N 2.85Å
544	R	88.1	Confident	90.5	Very high	115 Å²	115	50.5 Å²	50.5	43%	0.434	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.6	173.7	-177.4	179.9	178.2	-162.3	-0.3	110.6	V540 I541 N542 F546 E572	V540-R544 CarbonylContact C-O 3.55Å; V540-R544 VanDerWaalsContact CA-O 3.32Å; V540-R544 WeakPolarHBondContact CA-O 3.45Å; I541-R544 PolarHBondContact N-O 2.78Å; I541-R544 WeakPolarHBondContact O-CB 3.21Å; I541-R544 PolarHBondContact O-N 3.44Å; N542-R544 VanDerWaalsContact C-N 3.26Å; N542-R544 PolarHBondContact O-N 2.85Å; R544-F546 HydrophobicContact CB-CE2 4.19Å; R544-F546 HydrophobicContact CG-CE2 4.01Å; R544-F546 HydrophobicContact CG-CZ 4.32Å; R544-F546 WeakPolarHBondContact O-CD2 3.42Å; R544-F546 WeakPolarHBondContact O-CE2 3.43Å; R544-E572 IonicContact CZ-OE1 3.97Å; R544-E572 IonicContact CZ-OE2 3.14Å; R544-E572 IonicContact NH1-OE1 2.91Å; R544-E572 PolarHBondContact NH1-OE1 2.93Å; R544-E572 IonicContact NH1-OE2 3.23Å; R544-E572 PolarHBondContact NH1-OE2 3.17Å; R544-E572 IonicContact NH2-OE1 3.97Å; R544-E572 PolarHBondContact NH2-OE1 3.31Å
545	E	91.1	Very high	90.6	Very high	127 Å²	127	52.3 Å²	52.3	59%	0.593	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.4	172.7	-60.2	-166.1	177.3	0	0	112	Q538 V540	Q538-E545 PolarHBondContact NE2-OE2 3.36Å; V540-E545 HydrophobicContact CG1-CG 4.38Å; V540-E545 HydrophobicContact CG2-CG 4.1Å
546	F	93	Very high	90.4	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.031	30%	0.303	C	S	.	.			trans	-111.5	155.7	174.7	-70.2	-98.6	0	0	0	110.8	Q538 V539 I541 R544 A565 I568 L569	Q538-F546 WeakPolarHBondContact CG-O 2.99Å; V539-F546 PolarHBondContact O-N 3.19Å; I541-F546 HydrophobicContact CB-CD2 4.49Å; I541-F546 HydrophobicContact CB-CE2 3.8Å; I541-F546 HydrophobicContact CD1-CD2 4.38Å; I541-F546 HydrophobicContact CD1-CE2 4.02Å; I541-F546 HydrophobicContact CD1-CZ 4.43Å; I541-F546 HydrophobicContact CG1-CD2 4.26Å; I541-F546 HydrophobicContact CG1-CE2 3.95Å; R544-F546 HydrophobicContact CB-CE2 4.19Å; R544-F546 HydrophobicContact CG-CE2 4.01Å; R544-F546 HydrophobicContact CG-CZ 4.32Å; R544-F546 WeakPolarHBondContact O-CD2 3.42Å; R544-F546 WeakPolarHBondContact O-CE2 3.43Å; F546-A565 HydrophobicContact CB-CB 3.72Å; F546-A565 HydrophobicContact CD1-CB 3.78Å; F546-A565 HydrophobicContact CD2-CB 4.4Å; F546-A565 HydrophobicContact CG-CB 3.68Å; F546-I568 HydrophobicContact CD1-CB 4.37Å; F546-I568 HydrophobicContact CD1-CD1 4.27Å; F546-I568 HydrophobicContact CD1-CG2 4.32Å; F546-I568 HydrophobicContact CE1-CB 4.39Å; F546-I568 HydrophobicContact CE1-CG2 4.06Å; F546-L569 HydrophobicContact CE1-CD1 4.47Å; F546-L569 HydrophobicContact CE1-CD2 4.19Å; F546-L569 HydrophobicContact CE1-CG 3.93Å; F546-L569 HydrophobicContact CZ-CD1 4.38Å; F546-L569 HydrophobicContact CZ-CD2 3.96Å; F546-L569 HydrophobicContact CZ-CG 4.07Å
547	P	92.1	Very high	90.3	Very high	64 Å²	64	51.3 Å²	51.3	42%	0.416	29%	0.29	S	S	.	.			trans	-57.8	130.1	-172.7	-27.5	36.6	0	0	0	113	K564 I568	P547-K564 HydrophobicContact CB-CD 4.43Å; P547-I568 VanDerWaalsContact CD-CD1 3.44Å; P547-I568 HydrophobicContact CG-CD1 3.76Å
548	P	91.9	Very high	90.3	Very high	47 Å²	47	53.6 Å²	53.6	31%	0.305	30%	0.3	S	S	.	.			trans	-66.9	156.7	-177.7	26.9	-34.3	0	0	0	112.3	I524 K536 F537 Q538 K564	I524-P548 HydrophobicContact CD1-CB 4.12Å; I524-P548 HydrophobicContact CD1-CG 4.48Å; K536-P548 HydrophobicContact CG-CB 4.26Å; F537-P548 CarbonylContact O-C 3.57Å; F537-P548 WeakPolarHBondContact O-CA 3.22Å; F537-P548 WeakPolarHBondContact O-CB 3.42Å; Q538-P548 HydrophobicContact CB-CB 4.32Å; Q538-P548 HydrophobicContact CG-CB 4.36Å; P548-K564 PolarHBondContact O-NZ 3.02Å
549	A	92.6	Very high	90.2	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.6	170.8	0	0	0	0	0	110.5	K536 F537 D560 A561 K564	K536-A549 WeakPolarHBondContact CA-O 3.2Å; F537-A549 PolarHBondContact N-O 3.43Å; F537-A549 PolarHBondContact O-N 3.05Å; A549-D560 HydrophobicContact CB-CB 3.54Å; A549-A561 HydrophobicContact CB-CB 4.04Å; A549-A561 VanDerWaalsContact CB-N 3.35Å; A549-K564 HydrophobicContact CB-CD 4.18Å
550	E	91.5	Very high	90.1	Very high	76 Å²	76	57.3 Å²	57.3	36%	0.355	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132	-174.1	-167.5	-170.6	169.3	0	0	109.7	R534 F535 K536	R534-E550 HydrophobicContact CB-CG 4.2Å; R534-E550 WeakPolarHBondContact CB-OE1 3.45Å; R534-E550 WeakPolarHBondContact CD-OE1 3.44Å; R534-E550 IonicContact CZ-OE1 2.68Å; R534-E550 IonicContact NE-OE1 2.84Å; R534-E550 IonicContact NH1-OE1 2.78Å; R534-E550 PolarHBondContact NH1-OE1 3.41Å; R534-E550 IonicContact NH1-OE2 2.97Å; R534-E550 PolarHBondContact NH1-OE2 3.21Å; R534-E550 VanDerWaalsContact NH1-OE2 3.08Å; F535-E550 VanDerWaalsContact O-CA 3.3Å; F535-E550 WeakPolarHBondContact O-CA 3.34Å; K536-E550 HydrophobicContact CB-CG 4.34Å; K536-E550 HydrophobicContact CG-CB 4.44Å
551	A	91.8	Very high	90.1	Very high	17 Å²	17	56.5 Å²	56.5	14%	0.14	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.4	178.3	0	0	0	0	0	111.8	F535 S553 V556 A557	F535-A551 PolarHBondContact N-O 3.29Å; F535-A551 PolarHBondContact O-N 3.03Å; F535-A551 VanDerWaalsContact O-N 3.16Å; A551-S553 PolarHBondContact O-N 2.97Å; A551-V556 HydrophobicContact CB-CB 3.99Å; A551-V556 HydrophobicContact CB-CG1 3.64Å; A551-A557 HydrophobicContact CB-CB 4.04Å
552	G	86.4	Confident	90.3	Very high	58 Å²	58	56.2 Å²	56.2	60%	0.598	31%	0.313	S	S	*	.	S	Bend	trans	-65.7	7.6	178.3	0	0	0	0	0	116.3	P533	P533-G552 CarbonylContact O-C 3.58Å; P533-G552 WeakPolarHBondContact O-CA 3.19Å
553	S	90.4	Very high	90.7	Very high	42 Å²	42	56 Å²	56	29%	0.294	31%	0.31	S	S	.	.	S	Bend	trans	-150.9	144.9	166.7	77.9	0	0	0	0	112.7	F535 A551 K555 V556 A557	F535-S553 VanDerWaalsContact CD2-C 3.44Å; F535-S553 VanDerWaalsContact CD2-CA 3.41Å; A551-S553 PolarHBondContact O-N 2.97Å; S553-K555 PolarHBondContact O-N 3.06Å; S553-V556 PolarHBondContact O-N 2.87Å; S553-V556 VanDerWaalsContact O-N 3.11Å; S553-V556 WeakPolarHBondContact OG-CG2 3.09Å; S553-V556 PolarHBondContact OG-N 3.27Å; S553-A557 PolarHBondContact O-N 3.11Å
554	K	90.4	Very high	91.4	Very high	82 Å²	82	57.4 Å²	57.4	36%	0.357	30%	0.297	S	S	.	.	H	α-helix	trans	-56.2	-23.1	175.5	-59.2	-167.1	-179.4	-161.6	0	113.8	M523 Q526 F535 F537 K558	M523-K554 HydrophobicContact SD-CD 3.78Å; M523-K554 VanDerWaalsContact SD-CE 3.56Å; M523-K554 PolarHBondContact SD-NZ 3.03Å; Q526-K554 VanDerWaalsContact OE1-CE 3.29Å; F535-K554 HydrophobicContact CB-CG 3.99Å; F535-K554 HydrophobicContact CD1-CD 3.98Å; F535-K554 HydrophobicContact CD1-CG 3.44Å; F535-K554 VanDerWaalsContact CD1-CG 3.44Å; F535-K554 HydrophobicContact CD2-CG 3.99Å; F535-K554 HydrophobicContact CE1-CD 4.11Å; F535-K554 HydrophobicContact CE1-CG 3.76Å; F535-K554 HydrophobicContact CE2-CG 4.3Å; F535-K554 HydrophobicContact CG-CG 3.52Å; F535-K554 HydrophobicContact CZ-CG 4.17Å; F537-K554 HydrophobicContact CE2-CB 3.77Å; F537-K554 HydrophobicContact CE2-CG 4.04Å; F537-K554 HydrophobicContact CZ-CB 4.19Å; K554-K558 VanDerWaalsContact O-CB 3.27Å; K554-K558 WeakPolarHBondContact O-CB 3.48Å
555	K	90.6	Very high	91.7	Very high	150 Å²	150	51.9 Å²	51.9	65%	0.652	28%	0.277	S	S	*	.	H	α-helix	trans	-77.3	-47.6	176.9	-175.9	-171.4	170.6	-164.2	0	111.5	S553 Q559	S553-K555 PolarHBondContact O-N 3.06Å; K555-Q559 WeakPolarHBondContact O-CG 3.33Å; K555-Q559 PolarHBondContact O-N 3.45Å
556	V	88.9	Confident	91.6	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.37	25%	0.251	S	S	.	.	H	α-helix	trans	-69.4	-50.5	-178.4	175	0	0	0	0	109.8	A551 S553 K558 Q559 D560	A551-V556 HydrophobicContact CB-CB 3.99Å; A551-V556 HydrophobicContact CB-CG1 3.64Å; S553-V556 PolarHBondContact O-N 2.87Å; S553-V556 VanDerWaalsContact O-N 3.11Å; S553-V556 WeakPolarHBondContact OG-CG2 3.09Å; S553-V556 PolarHBondContact OG-N 3.27Å; V556-K558 PolarHBondContact O-N 2.83Å; V556-K558 VanDerWaalsContact O-N 3.12Å; V556-Q559 CarbonylContact O-C 3.59Å; V556-Q559 WeakPolarHBondContact O-CA 3.33Å; V556-Q559 WeakPolarHBondContact O-CB 3.28Å; V556-Q559 PolarHBondContact O-N 3.1Å; V556-D560 VanDerWaalsContact CG1-OD2 3.29Å; V556-D560 WeakPolarHBondContact CG1-OD2 3.37Å; V556-D560 VanDerWaalsContact O-CG 3.24Å; V556-D560 PolarHBondContact O-N 3.17Å
557	A	90.8	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.6	-39.3	178.2	0	0	0	0	0	113.3	F535 F537 A551 S553 A561	F535-A557 HydrophobicContact CB-CB 4.43Å; F535-A557 WeakPolarHBondContact O-CB 3.47Å; F537-A557 HydrophobicContact CB-CB 4.27Å; F537-A557 HydrophobicContact CD2-CB 3.82Å; F537-A557 HydrophobicContact CG-CB 4.46Å; A551-A557 HydrophobicContact CB-CB 4.04Å; S553-A557 PolarHBondContact O-N 3.11Å; A557-A561 VanDerWaalsContact O-CB 3.29Å; A557-A561 WeakPolarHBondContact O-CB 3.32Å; A557-A561 PolarHBondContact O-N 3.22Å
558	K	93.8	Very high	91.4	Very high	65 Å²	65	47.7 Å²	47.7	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-70.8	-30.2	175.3	-179.8	163.5	174.6	153.9	0	113.3	V505 F521 F537 K554 V556 A562	V505-K558 HydrophobicContact CG2-CG 4.03Å; V505-K558 WeakPolarHBondContact CG2-O 3.48Å; F521-K558 HydrophobicContact CB-CD 4.12Å; F521-K558 HydrophobicContact CD1-CD 4.11Å; F521-K558 HydrophobicContact CD1-CG 3.74Å; F521-K558 HydrophobicContact CE1-CG 4.19Å; F521-K558 HydrophobicContact CG-CD 4.19Å; F521-K558 HydrophobicContact CG-CG 4.33Å; F537-K558 HydrophobicContact CB-CB 4.43Å; F537-K558 HydrophobicContact CD1-CB 3.96Å; F537-K558 HydrophobicContact CD1-CD 4.28Å; F537-K558 HydrophobicContact CD1-CG 4.27Å; F537-K558 HydrophobicContact CD2-CB 4.4Å; F537-K558 HydrophobicContact CE1-CB 4.3Å; F537-K558 HydrophobicContact CE1-CD 4.12Å; F537-K558 HydrophobicContact CG-CB 4Å; K554-K558 VanDerWaalsContact O-CB 3.27Å; K554-K558 WeakPolarHBondContact O-CB 3.48Å; V556-K558 PolarHBondContact O-N 2.83Å; V556-K558 VanDerWaalsContact O-N 3.12Å; K558-A562 WeakPolarHBondContact O-CB 3.48Å; K558-A562 PolarHBondContact O-N 2.95Å
559	Q	94.2	Very high	91.3	Very high	44 Å²	44	46 Å²	46	21%	0.206	25%	0.245	C	C	.	.	H	α-helix	trans	-75.2	-38.5	174	-75	177.2	-39.1	0	0	111.7	N503 V505 K555 V556 A562 M563	N503-Q559 PolarHBondContact ND2-NE2 2.88Å; N503-Q559 PolarHBondContact OD1-NE2 3.37Å; V505-Q559 HydrophobicContact CG2-CB 4.49Å; V505-Q559 HydrophobicContact CG2-CG 3.79Å; K555-Q559 WeakPolarHBondContact O-CG 3.33Å; K555-Q559 PolarHBondContact O-N 3.45Å; V556-Q559 CarbonylContact O-C 3.59Å; V556-Q559 WeakPolarHBondContact O-CA 3.33Å; V556-Q559 WeakPolarHBondContact O-CB 3.28Å; V556-Q559 PolarHBondContact O-N 3.1Å; Q559-A562 WeakPolarHBondContact O-CB 3.29Å; Q559-A562 PolarHBondContact O-N 2.92Å; Q559-M563 WeakPolarHBondContact O-CB 3.46Å; Q559-M563 PolarHBondContact O-N 3.19Å
560	D	91.7	Very high	91.1	Very high	53 Å²	53	47.1 Å²	47.1	28%	0.283	25%	0.25	S	S	.	.	H	α-helix	trans	-69.9	-40.6	177.3	-56.3	-21.1	0	0	0	111.3	A549 V556 A562 M563 K564	A549-D560 HydrophobicContact CB-CB 3.54Å; V556-D560 VanDerWaalsContact CG1-OD2 3.29Å; V556-D560 WeakPolarHBondContact CG1-OD2 3.37Å; V556-D560 VanDerWaalsContact O-CG 3.24Å; V556-D560 PolarHBondContact O-N 3.17Å; D560-A562 VanDerWaalsContact C-N 3.34Å; D560-A562 PolarHBondContact O-N 3.35Å; D560-M563 WeakPolarHBondContact O-CB 3.43Å; D560-M563 PolarHBondContact O-N 2.98Å; D560-M563 VanDerWaalsContact O-N 3.14Å; D560-K564 WeakPolarHBondContact O-CG 3.26Å; D560-K564 PolarHBondContact O-N 3.01Å
561	A	93.8	Very high	90.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-41.8	173.5	0	0	0	0	0	111.4	F537 V539 A549 A557 M563 A565	F537-A561 HydrophobicContact CB-CB 4.13Å; F537-A561 WeakPolarHBondContact O-CB 3.27Å; V539-A561 HydrophobicContact CG2-CB 3.92Å; V539-A561 WeakPolarHBondContact CG2-O 3.45Å; A549-A561 HydrophobicContact CB-CB 4.04Å; A549-A561 VanDerWaalsContact CB-N 3.35Å; A557-A561 VanDerWaalsContact O-CB 3.29Å; A557-A561 WeakPolarHBondContact O-CB 3.32Å; A557-A561 PolarHBondContact O-N 3.22Å; A561-M563 VanDerWaalsContact C-N 3.33Å; A561-M563 PolarHBondContact O-N 3.03Å; A561-A565 WeakPolarHBondContact O-CB 3.48Å; A561-A565 PolarHBondContact O-N 3.4Å; A561-A565 VanDerWaalsContact O-N 3.09Å
562	A	93.4	Very high	90.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-39.1	172.6	0	0	0	0	0	112.3	P504 V505 L508 F521 K558 Q559 D560 M566	P504-A562 HydrophobicContact CB-CB 3.87Å; V505-A562 HydrophobicContact CB-CB 4.44Å; V505-A562 HydrophobicContact CG2-CB 3.84Å; L508-A562 HydrophobicContact CD2-CB 4.02Å; F521-A562 HydrophobicContact CE1-CB 3.93Å; F521-A562 HydrophobicContact CZ-CB 4.27Å; K558-A562 WeakPolarHBondContact O-CB 3.48Å; K558-A562 PolarHBondContact O-N 2.95Å; Q559-A562 WeakPolarHBondContact O-CB 3.29Å; Q559-A562 PolarHBondContact O-N 2.92Å; D560-A562 VanDerWaalsContact C-N 3.34Å; D560-A562 PolarHBondContact O-N 3.35Å; A562-M566 WeakPolarHBondContact O-CB 3.33Å; A562-M566 PolarHBondContact O-N 3.19Å
563	M	91.6	Very high	90.3	Very high	98 Å²	98	48.9 Å²	48.9	48%	0.483	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-48	178.6	-163.9	-177.7	-59.6	0	0	111.4	P504 Q559 D560 A561 A565 M566 T567	P504-M563 HydrophobicContact CB-CB 4.32Å; P504-M563 HydrophobicContact CG-CB 4.46Å; P504-M563 HydrophobicContact CG-CE 4.01Å; Q559-M563 WeakPolarHBondContact O-CB 3.46Å; Q559-M563 PolarHBondContact O-N 3.19Å; D560-M563 WeakPolarHBondContact O-CB 3.43Å; D560-M563 PolarHBondContact O-N 2.98Å; D560-M563 VanDerWaalsContact O-N 3.14Å; A561-M563 VanDerWaalsContact C-N 3.33Å; A561-M563 PolarHBondContact O-N 3.03Å; M563-A565 PolarHBondContact O-N 3.33Å; M563-M566 PolarHBondContact O-N 3.33Å; M563-T567 PolarHBondContact O-N 3.41Å; M563-T567 PolarHBondContact O-OG1 3.22Å
564	K	92.1	Very high	89.8	Confident	95 Å²	95	52.7 Å²	52.7	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-55.1	-49.4	174.7	-70.5	-174.1	-176.1	-170.7	0	111.9	P547 P548 A549 D560 M566 T567 I568	P547-K564 HydrophobicContact CB-CD 4.43Å; P548-K564 PolarHBondContact O-NZ 3.02Å; A549-K564 HydrophobicContact CB-CD 4.18Å; D560-K564 WeakPolarHBondContact O-CG 3.26Å; D560-K564 PolarHBondContact O-N 3.01Å; K564-M566 PolarHBondContact O-N 2.7Å; K564-T567 PolarHBondContact O-N 3.45Å; K564-I568 WeakPolarHBondContact O-CD1 2.97Å; K564-I568 WeakPolarHBondContact O-CG1 3.47Å; K564-I568 PolarHBondContact O-N 2.79Å
565	A	93.1	Very high	89.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-40.9	179.2	0	0	0	0	0	112.6	L508 V539 F546 A561 M563 L569	L508-A565 HydrophobicContact CD2-CB 3.74Å; V539-A565 HydrophobicContact CB-CB 4.13Å; V539-A565 HydrophobicContact CG2-CB 4.08Å; F546-A565 HydrophobicContact CB-CB 3.72Å; F546-A565 HydrophobicContact CD1-CB 3.78Å; F546-A565 HydrophobicContact CD2-CB 4.4Å; F546-A565 HydrophobicContact CG-CB 3.68Å; A561-A565 WeakPolarHBondContact O-CB 3.48Å; A561-A565 PolarHBondContact O-N 3.4Å; A561-A565 VanDerWaalsContact O-N 3.09Å; M563-A565 PolarHBondContact O-N 3.33Å; A565-L569 WeakPolarHBondContact O-CG 3.47Å; A565-L569 PolarHBondContact O-N 2.89Å; A565-L569 VanDerWaalsContact O-N 3.1Å
566	M	89.8	Confident	88	Confident	11 Å²	11	52.1 Å²	52.1	5%	0.054	26%	0.261	C	S	.	.	H	α-helix	trans	-73.8	-29.4	-178.6	-155.7	164.5	73.3	0	0	113.2	L496 C499 Q500 L508 A562 M563 K564 L570	L496-M566 HydrophobicContact CD2-CG 3.84Å; C499-M566 HydrophobicContact CB-SD 4.15Å; Q500-M566 HydrophobicContact CB-CE 4.39Å; Q500-M566 HydrophobicContact CG-CE 3.86Å; L508-M566 HydrophobicContact CB-SD 4.25Å; L508-M566 HydrophobicContact CD1-CB 4.08Å; L508-M566 HydrophobicContact CD1-CG 4.19Å; A562-M566 WeakPolarHBondContact O-CB 3.33Å; A562-M566 PolarHBondContact O-N 3.19Å; M563-M566 PolarHBondContact O-N 3.33Å; K564-M566 PolarHBondContact O-N 2.7Å; M566-L570 WeakPolarHBondContact O-CB 3.45Å; M566-L570 PolarHBondContact O-N 2.73Å; M566-L570 VanDerWaalsContact O-N 3.07Å
567	T	89.8	Confident	86.9	Confident	58 Å²	58	53.3 Å²	53.3	36%	0.356	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-49.8	170.9	-60.5	0	0	0	0	111.3	M563 K564 L569 L570 E571	M563-T567 PolarHBondContact O-N 3.41Å; M563-T567 PolarHBondContact O-OG1 3.22Å; K564-T567 PolarHBondContact O-N 3.45Å; T567-L569 VanDerWaalsContact C-N 3.33Å; T567-L569 PolarHBondContact O-N 3.48Å; T567-L570 WeakPolarHBondContact O-CB 3.35Å; T567-L570 PolarHBondContact O-N 3.03Å; T567-E571 PolarHBondContact O-N 3.37Å
568	I	91.1	Very high	85.5	Confident	41 Å²	41	57 Å²	57	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-45.6	179.2	-66.9	163.4	0	0	0	110.8	F546 P547 K564 L570 E571 E572	F546-I568 HydrophobicContact CD1-CB 4.37Å; F546-I568 HydrophobicContact CD1-CD1 4.27Å; F546-I568 HydrophobicContact CD1-CG2 4.32Å; F546-I568 HydrophobicContact CE1-CB 4.39Å; F546-I568 HydrophobicContact CE1-CG2 4.06Å; P547-I568 VanDerWaalsContact CD-CD1 3.44Å; P547-I568 HydrophobicContact CG-CD1 3.76Å; K564-I568 WeakPolarHBondContact O-CD1 2.97Å; K564-I568 WeakPolarHBondContact O-CG1 3.47Å; K564-I568 PolarHBondContact O-N 2.79Å; I568-L570 VanDerWaalsContact C-N 3.3Å; I568-L570 PolarHBondContact O-N 3.38Å; I568-E571 PolarHBondContact O-N 3.15Å; I568-E572 WeakPolarHBondContact CG2-OE1 3.3Å; I568-E572 WeakPolarHBondContact O-CG 3.49Å; I568-E572 PolarHBondContact O-N 2.89Å
569	L	90.3	Very high	83.7	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-35.2	175.8	-73.8	169.2	0	0	0	113	L496 L508 Y511 I541 F546 A565 T567 A573	L496-L569 HydrophobicContact CD1-CB 4.02Å; L496-L569 WeakPolarHBondContact CD1-O 3.45Å; L496-L569 HydrophobicContact CD2-CB 4.09Å; L508-L569 HydrophobicContact CD1-CD1 3.64Å; Y511-L569 HydrophobicContact CD1-CD1 4.02Å; Y511-L569 HydrophobicContact CE1-CD1 3.92Å; Y511-L569 HydrophobicContact CE1-CD2 4.29Å; Y511-L569 HydrophobicContact CE1-CG 4.49Å; I541-L569 HydrophobicContact CD1-CD1 3.85Å; F546-L569 HydrophobicContact CE1-CD1 4.47Å; F546-L569 HydrophobicContact CE1-CD2 4.19Å; F546-L569 HydrophobicContact CE1-CG 3.93Å; F546-L569 HydrophobicContact CZ-CD1 4.38Å; F546-L569 HydrophobicContact CZ-CD2 3.96Å; F546-L569 HydrophobicContact CZ-CG 4.07Å; A565-L569 WeakPolarHBondContact O-CG 3.47Å; A565-L569 PolarHBondContact O-N 2.89Å; A565-L569 VanDerWaalsContact O-N 3.1Å; T567-L569 VanDerWaalsContact C-N 3.33Å; T567-L569 PolarHBondContact O-N 3.48Å; L569-A573 WeakPolarHBondContact O-CB 3.37Å; L569-A573 PolarHBondContact O-N 3.25Å
570	L	87.9	Confident	81	Confident	26 Å²	26	64.6 Å²	64.6	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-69.5	-40.5	176.9	-174.2	72.2	0	0	0	111.5	Y493 L496 M566 T567 I568 A573 K574	Y493-L570 HydrophobicContact CD2-CD1 3.47Å; Y493-L570 VanDerWaalsContact CD2-CD1 3.47Å; Y493-L570 HydrophobicContact CD2-CG 4.15Å; Y493-L570 HydrophobicContact CE2-CD1 3.54Å; Y493-L570 HydrophobicContact CE2-CG 3.94Å; Y493-L570 HydrophobicContact CG-CD1 4.46Å; L496-L570 HydrophobicContact CB-CD1 3.63Å; M566-L570 WeakPolarHBondContact O-CB 3.45Å; M566-L570 PolarHBondContact O-N 2.73Å; M566-L570 VanDerWaalsContact O-N 3.07Å; T567-L570 WeakPolarHBondContact O-CB 3.35Å; T567-L570 PolarHBondContact O-N 3.03Å; I568-L570 VanDerWaalsContact C-N 3.3Å; I568-L570 PolarHBondContact O-N 3.38Å; L570-A573 PolarHBondContact O-N 3.36Å; L570-K574 WeakPolarHBondContact O-CB 3.49Å; L570-K574 PolarHBondContact O-N 3.35Å
571	E	84.1	Confident	78.3	Confident	125 Å²	125	67.5 Å²	67.5	58%	0.584	37%	0.369	S	S	*	.	H	α-helix	trans	-64.5	-45.2	176.2	-70.8	175	167	0	0	111.4	T567 I568 A573 K574 A575	T567-E571 PolarHBondContact O-N 3.37Å; I568-E571 PolarHBondContact O-N 3.15Å; E571-A573 PolarHBondContact O-N 3.24Å; E571-K574 PolarHBondContact O-N 3.25Å; E571-A575 PolarHBondContact O-N 3.45Å
572	E	86	Confident	76	Confident	56 Å²	56	76.2 Å²	76.2	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-40.9	174.6	-73	174.5	-163.4	0	0	113	R544 I568 K576	R544-E572 IonicContact CZ-OE1 3.97Å; R544-E572 IonicContact CZ-OE2 3.14Å; R544-E572 IonicContact NH1-OE1 2.91Å; R544-E572 PolarHBondContact NH1-OE1 2.93Å; R544-E572 IonicContact NH1-OE2 3.23Å; R544-E572 PolarHBondContact NH1-OE2 3.17Å; R544-E572 IonicContact NH2-OE1 3.97Å; R544-E572 PolarHBondContact NH2-OE1 3.31Å; I568-E572 WeakPolarHBondContact CG2-OE1 3.3Å; I568-E572 WeakPolarHBondContact O-CG 3.49Å; I568-E572 PolarHBondContact O-N 2.89Å; E572-K576 WeakPolarHBondContact O-CG 3.3Å; E572-K576 PolarHBondContact O-N 2.82Å
573	A	82.6	Confident	73	Confident	8 Å²	8	85.4 Å²	85.4	7%	0.066	45%	0.452	C	S	.	.	H	α-helix	trans	-69.5	-35.5	176.5	0	0	0	0	0	111.9	P492 Y493 L496 L569 L570 E571 K576 D577	P492-A573 HydrophobicContact CB-CB 4.25Å; Y493-A573 HydrophobicContact CD2-CB 4.47Å; L496-A573 HydrophobicContact CD1-CB 3.76Å; L569-A573 WeakPolarHBondContact O-CB 3.37Å; L569-A573 PolarHBondContact O-N 3.25Å; L570-A573 PolarHBondContact O-N 3.36Å; E571-A573 PolarHBondContact O-N 3.24Å; A573-K576 PolarHBondContact O-N 3.19Å; A573-D577 PolarHBondContact O-N 2.85Å
574	K	79.8	Confident	70.3	Confident	121 Å²	121	85.9 Å²	85.9	53%	0.526	47%	0.466	S	S	.	.	H	α-helix	trans	-67.1	-40.4	176	-167.8	178.1	-178.3	-176.5	0	111.8	Y493 L570 E571 K576 S578	Y493-K574 HydrophobicContact CD2-CB 3.63Å; Y493-K574 HydrophobicContact CD2-CG 4.16Å; Y493-K574 HydrophobicContact CE2-CB 3.53Å; Y493-K574 HydrophobicContact CE2-CD 3.91Å; Y493-K574 HydrophobicContact CE2-CG 3.64Å; L570-K574 WeakPolarHBondContact O-CB 3.49Å; L570-K574 PolarHBondContact O-N 3.35Å; E571-K574 PolarHBondContact O-N 3.25Å; K574-K576 VanDerWaalsContact C-N 3.34Å; K574-S578 VanDerWaalsContact O-CB 3.3Å; K574-S578 WeakPolarHBondContact O-CB 3.39Å; K574-S578 PolarHBondContact O-N 3.11Å; K574-S578 PolarHBondContact O-OG 2.81Å
575	A	75.9	Confident	67.2	Low	58 Å²	58	87.3 Å²	87.3	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-47.4	173.2	0	0	0	0	0	110.7	E571 S578	E571-A575 PolarHBondContact O-N 3.45Å; A575-S578 PolarHBondContact O-N 3.43Å; A575-S578 PolarHBondContact O-OG 2.94Å
576	K	68.1	Low	64	Low	163 Å²	163	95.4 Å²	95.4	71%	0.709	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-37.7	-178.5	-72.1	169	-179.4	171.6	0	114.1	E572 A573 K574 S578	E572-K576 WeakPolarHBondContact O-CG 3.3Å; E572-K576 PolarHBondContact O-N 2.82Å; A573-K576 PolarHBondContact O-N 3.19Å; K574-K576 VanDerWaalsContact C-N 3.34Å; K576-S578 PolarHBondContact O-N 3.01Å
577	D	64.8	Low	60.8	Low	86 Å²	86	105 Å²	105	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-72.7	-9.4	172.5	-87.7	13.9	0	0	0	113	S491 Y493 A573	S491-D577 WeakPolarHBondContact CB-OD1 3.45Å; S491-D577 WeakPolarHBondContact CB-OD2 3.4Å; S491-D577 PolarHBondContact OG-OD2 2.94Å; Y493-D577 WeakPolarHBondContact CB-OD2 3.41Å; A573-D577 PolarHBondContact O-N 2.85Å
578	S	60.7	Low	57.9	Low	78 Å²	78	106.1 Å²	106.1	55%	0.545	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.2	-6.4	-171.8	75.9	0	0	0	0	116.9	K574 A575 K576	K574-S578 VanDerWaalsContact O-CB 3.3Å; K574-S578 WeakPolarHBondContact O-CB 3.39Å; K574-S578 PolarHBondContact O-N 3.11Å; K574-S578 PolarHBondContact O-OG 2.81Å; A575-S578 PolarHBondContact O-N 3.43Å; A575-S578 PolarHBondContact O-OG 2.94Å; K576-S578 PolarHBondContact O-N 3.01Å
579	G	56.2	Low	54.7	Low	74 Å²	74	110.3 Å²	110.3	76%	0.763	60%	0.6	S	S	*	*			trans	65.8	45.5	165.8	0	0	0	0	0	116.6
580	K	37.5	Very low	51.6	Low	194 Å²	194	118.2 Å²	118.2	84%	0.843	64%	0.637	S	S	*	*			trans	-121.7	149.2	166.2	-72.2	-168.9	174.7	-172.8	0	111.2
581	S	35.5	Very low	48.7	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	67%	0.665	S	S	*	*			trans	-64.4	149.7	-175.2	-160.8	0	0	0	0	112.3
582	E	45.3	Very low	45.9	Very low	182 Å²	182	125.9 Å²	125.9	85%	0.85	67%	0.67	S	S	*	*			trans	-67.7	135.8	150.6	-66.4	-176.6	165.3	0	0	108.4
583	E	31.7	Very low	43.1	Very low	193 Å²	193	127.7 Å²	127.7	90%	0.902	69%	0.688	S	S	*	*			trans	-152.2	156.2	155.9	-147.4	166.5	-136.1	0	0	108.6
584	S	35	Very low	40.4	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	72%	0.718	S	S	*	*			trans	-80.7	154.2	-159.6	58.3	0	0	0	0	115.2
585	S	25.5	Very low	37.8	Very low	125 Å²	125	135.7 Å²	135.7	87%	0.874	72%	0.724	S	S	*	*			trans	-128.6	134.1	147.9	58.2	0	0	0	0	109.6
586	H	27.3	Very low	35.3	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.787	74%	0.739	S	S	*	*			trans	-132.4	118.1	-171.9	-150.1	-66.4	0	0	0	108.9
587	Y	22.7	Very low	33.2	Very low	211 Å²	211	135.2 Å²	135.2	83%	0.827	74%	0.737	S	S	*	*			trans	-157.3	107.5	167.8	-134.8	-98.1	0	0	0	105.2
588	S	28.4	Very low	31.3	Very low	82 Å²	82	140.2 Å²	140.2	57%	0.573	76%	0.758	S	S	*	*				66.2	130.8	72.8	-54.5	0	0	0	0	111.4
589	T	23.1	Very low	29.6	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	77%	0.765	S	S	*	*			cis	-146.7	157.8	25.5	-44.4	0	0	0	0	112.3
590	E	25.8	Very low	28.1	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	77%	0.769	S	S	*	*			trans	-76	165.5	169.2	-57.2	-179.6	128.5	0	0	113.5
591	K	27.6	Very low	27.5	Very low	167 Å²	167	143.6 Å²	143.6	73%	0.726	77%	0.768	S	S	*	*			trans	154	144.1	150.6	-87.7	176.6	164.6	-75.2	0	108.4
592	E	24.3	Very low	27.1	Very low	146 Å²	146	144.1 Å²	144.1	68%	0.682	77%	0.769	S	S	*	*			cis	-169	153.7	-8	-112	162.8	169.6	0	0	106.8
593	S	26.5	Very low	26	Very low	93 Å²	93	141.7 Å²	141.7	65%	0.65	77%	0.767	S	S	*	*			cis	-167.8	160.6	-15.6	-132.1	0	0	0	0	111.1
594	E	26.5	Very low	26.4	Very low	149 Å²	149	138 Å²	138	70%	0.696	76%	0.76	S	S	*	*			trans	64.2	159	154.6	-70.8	-169.9	150.2	0	0	119.2
595	K	25.9	Very low	25.8	Very low	148 Å²	148	139 Å²	139	64%	0.643	77%	0.767	S	S	*	*			cis	-156.5	143.4	7.5	-134.3	160	-173.3	139	0	112.7
596	T	22.3	Very low	26.1	Very low	132 Å²	132	137.6 Å²	137.6	81%	0.81	76%	0.762	S	S	*	*			trans	43.1	149.6	146.6	46.6	0	0	0	0	122.5
597	A	25.1	Very low	26.1	Very low	80 Å²	80	136.4 Å²	136.4	66%	0.661	77%	0.767	S	S	*	*			cis	-148.9	162.5	16	0	0	0	0	0	114.5
598	E	25.1	Very low	26.2	Very low	191 Å²	191	132 Å²	132	89%	0.893	77%	0.768	S	S	*	*			trans	19.4	154	140.3	-61.1	-177.4	144.7	0	0	123.2
599	S	23.9	Very low	26.5	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	78%	0.778	S	S	*	*			cis	-174.7	172.1	-22	-168.9	0	0	0	0	110.2
600	Q	24.9	Very low	27	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	77%	0.774	S	S	*	*			trans	77	153.3	167	-51.1	-171.9	13.8	0	0	119.2
601	T	25.8	Very low	27.3	Very low	134 Å²	134	135.9 Å²	135.9	82%	0.822	78%	0.777	S	S	*	*			trans	-118.2	158.8	-176.9	50.4	0	0	0	0	111.1
602	P	25.6	Very low	28.2	Very low	126 Å²	126	132.1 Å²	132.1	82%	0.818	79%	0.785	S	S	*	*				-143.7	171.5	101.3	38.3	-23.8	0	0	0	115.3
603	T	22.4	Very low	29.8	Very low	130 Å²	130	129.8 Å²	129.8	80%	0.798	77%	0.773	S	S	*	*			trans	-90.4	173.5	171.8	39.4	0	0	0	0	112.2
604	P	40.7	Very low	32.3	Very low	117 Å²	117	127.7 Å²	127.7	76%	0.76	76%	0.759	S	S	*	*			cis	-125.9	176.2	-36.8	35.8	-21.2	0	0	0	111.7
605	S	22.7	Very low	34.8	Very low	130 Å²	130	122.1 Å²	122.1	91%	0.909	74%	0.735	S	S	*	*			trans	-146.8	138.5	165.8	-73.5	0	0	0	0	110.9
606	A	31	Very low	37.4	Very low	94 Å²	94	116.6 Å²	116.6	78%	0.777	71%	0.714	S	S	*	*			trans	-102.6	124.7	-169.3	0	0	0	0	0	112.5
607	T	28.2	Very low	40.2	Very low	145 Å²	145	113.8 Å²	113.8	89%	0.89	70%	0.697	S	S	*	*			trans	-174.5	123.5	135.2	15	0	0	0	0	110.9
608	S	25.4	Very low	42.8	Very low	120 Å²	120	112.1 Å²	112.1	84%	0.839	68%	0.678	S	S	*	*			trans	-159.3	78.6	164.7	-173.3	0	0	0	0	110.1
609	F	33.5	Very low	45.5	Very low	181 Å²	181	103 Å²	103	79%	0.794	64%	0.636	S	S	*	*			trans	-114.4	145.4	166.6	-87.5	-81.9	0	0	0	109.3
610	F	33.5	Very low	48.2	Very low	162 Å²	162	102 Å²	102	71%	0.711	62%	0.622	S	S	*	*			trans	72.4	78.4	174.2	-43.8	-66.5	0	0	0	117.8
611	S	33.1	Very low	50.8	Low	127 Å²	127	96.7 Å²	96.7	89%	0.888	60%	0.597	S	S	*	*			trans	-85.5	142.9	148.8	54.8	0	0	0	0	110.9
612	G	45.4	Very low	53.1	Low	88 Å²	88	92.3 Å²	92.3	91%	0.907	57%	0.572	S	S	*	*	S	Bend	trans	100.9	-6.9	163.8	0	0	0	0	0	119.5
613	K	59.2	Low	55.7	Low	96 Å²	96	86.6 Å²	86.6	42%	0.417	53%	0.534	S	S	.	.			trans	-86.5	149.1	170.8	-74.6	-175.1	-179.7	178.2	0	111.8	E621	K613-E621 IonicContact NZ-OE1 3.81Å; K613-E621 PolarHBondContact NZ-OE1 2.97Å; K613-E621 IonicContact NZ-OE2 3.29Å; K613-E621 PolarHBondContact NZ-OE2 2.81Å
614	S	78.3	Confident	57.9	Low	50 Å²	50	88.1 Å²	88.1	35%	0.35	53%	0.532	S	S	.	.			trans	-77.6	137.4	174.2	-179.8	0	0	0	0	110.8	V616 T617 T618	S614-V616 PolarHBondContact O-N 3.24Å; S614-V616 VanDerWaalsContact O-N 3.14Å; S614-T617 PolarHBondContact N-OG1 2.85Å; S614-T617 WeakPolarHBondContact O-CA 3.14Å; S614-T617 PolarHBondContact O-N 3.05Å; S614-T617 PolarHBondContact O-OG1 2.82Å; S614-T618 PolarHBondContact O-N 2.82Å; S614-T618 PolarHBondContact O-OG1 2.94Å
615	P	77.9	Confident	59.3	Low	32 Å²	32	89.7 Å²	89.7	21%	0.208	53%	0.526	C	S	.	.	H	α-helix	trans	-53.3	-36.6	-179.3	-31.9	38	0	0	0	114.7	T617 T618 L619 Q670 A673 E674	P615-T617 VanDerWaalsContact C-N 3.32Å; P615-T617 PolarHBondContact O-N 2.86Å; P615-T618 PolarHBondContact O-N 2.78Å; P615-L619 WeakPolarHBondContact O-CB 3.5Å; P615-L619 PolarHBondContact O-N 3.25Å; P615-Q670 HydrophobicContact CB-CG 4.21Å; P615-Q670 HydrophobicContact CG-CG 4.03Å; P615-A673 HydrophobicContact CB-CB 4.35Å; P615-E674 HydrophobicContact CB-CG 3.57Å; P615-E674 HydrophobicContact CG-CG 3.69Å; P615-E674 WeakPolarHBondContact CG-OE1 3.32Å
616	V	81.8	Confident	61.3	Low	32 Å²	32	88.7 Å²	88.7	19%	0.194	51%	0.51	C	S	.	.	H	α-helix	trans	-60	-41.6	174.2	-175.8	0	0	0	0	111.5	S614 L620 F632 Q670 A673	S614-V616 PolarHBondContact O-N 3.24Å; S614-V616 VanDerWaalsContact O-N 3.14Å; V616-L620 HydrophobicContact CG1-CD1 4.23Å; V616-L620 WeakPolarHBondContact O-CB 3.41Å; V616-L620 WeakPolarHBondContact O-CD1 3.14Å; V616-L620 VanDerWaalsContact O-CG 3.27Å; V616-L620 WeakPolarHBondContact O-CG 3.42Å; V616-L620 PolarHBondContact O-N 2.73Å; V616-F632 HydrophobicContact CG1-CE1 4.41Å; V616-F632 HydrophobicContact CG1-CE2 4.1Å; V616-F632 HydrophobicContact CG1-CZ 3.83Å; V616-Q670 HydrophobicContact CG2-CB 4.3Å; V616-A673 HydrophobicContact CB-CB 4.42Å; V616-A673 HydrophobicContact CG2-CB 4.02Å
617	T	81.3	Confident	62.6	Low	73 Å²	73	87.7 Å²	87.7	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-74.3	-35.1	176.6	49	0	0	0	0	112.4	S614 P615 E621	S614-T617 PolarHBondContact N-OG1 2.85Å; S614-T617 WeakPolarHBondContact O-CA 3.14Å; S614-T617 PolarHBondContact O-N 3.05Å; S614-T617 PolarHBondContact O-OG1 2.82Å; P615-T617 VanDerWaalsContact C-N 3.32Å; P615-T617 PolarHBondContact O-N 2.86Å; T617-E621 VanDerWaalsContact O-CB 3.31Å; T617-E621 WeakPolarHBondContact O-CB 3.45Å; T617-E621 PolarHBondContact O-N 2.59Å
618	T	79.9	Confident	64.6	Low	44 Å²	44	84.8 Å²	84.8	27%	0.27	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-44.7	177.1	-49.5	0	0	0	0	111.5	S614 P615 E621 C622 M677	S614-T618 PolarHBondContact O-N 2.82Å; S614-T618 PolarHBondContact O-OG1 2.94Å; P615-T618 PolarHBondContact O-N 2.78Å; T618-E621 PolarHBondContact O-N 2.94Å; T618-C622 VanDerWaalsContact O-CB 3.29Å; T618-C622 WeakPolarHBondContact O-CB 3.4Å; T618-C622 PolarHBondContact O-N 2.91Å; T618-M677 HydrophobicContact CG2-CE 3.84Å
619	L	80.8	Confident	66.6	Low	0 Å²	0	83.6 Å²	83.6	0%	0	48%	0.48	C	S	.	.	H	α-helix	trans	-63.5	-45.4	176.1	179.1	59.7	0	0	0	111.6	P615 E621 C622 M623 F632 V650 A673 A676 M677 L680	P615-L619 WeakPolarHBondContact O-CB 3.5Å; P615-L619 PolarHBondContact O-N 3.25Å; L619-E621 VanDerWaalsContact C-N 3.34Å; L619-E621 PolarHBondContact O-N 3.26Å; L619-C622 PolarHBondContact O-N 3.35Å; L619-M623 HydrophobicContact CD1-CE 4.01Å; L619-M623 HydrophobicContact CD1-CG 3.76Å; L619-M623 HydrophobicContact CD1-SD 4.25Å; L619-M623 HydrophobicContact CG-CG 4.29Å; L619-M623 VanDerWaalsContact O-CG 3.3Å; L619-M623 WeakPolarHBondContact O-CG 3.34Å; L619-M623 PolarHBondContact O-N 3.27Å; L619-F632 HydrophobicContact CD2-CZ 4.25Å; L619-V650 HydrophobicContact CD2-CG1 4.21Å; L619-V650 HydrophobicContact CD2-CG2 4.44Å; L619-A673 HydrophobicContact CB-CB 4.35Å; L619-A673 HydrophobicContact CD2-CB 3.93Å; L619-A676 HydrophobicContact CD2-CB 3.89Å; L619-M677 HydrophobicContact CB-CG 3.96Å; L619-M677 HydrophobicContact CB-SD 3.87Å; L619-M677 HydrophobicContact CD1-CG 3.99Å; L619-M677 HydrophobicContact CD1-SD 3.72Å; L619-M677 HydrophobicContact CG-CG 4.39Å; L619-M677 HydrophobicContact CG-SD 4.37Å; L619-L680 HydrophobicContact CD1-CD1 4.06Å
620	L	81.8	Confident	68.9	Low	77 Å²	77	76.4 Å²	76.4	40%	0.403	45%	0.452	S	S	.	.	H	α-helix	trans	-63.5	-38.2	177.1	-72.4	170.7	0	0	0	112.5	V616 H624 C630 F632	V616-L620 HydrophobicContact CG1-CD1 4.23Å; V616-L620 WeakPolarHBondContact O-CB 3.41Å; V616-L620 WeakPolarHBondContact O-CD1 3.14Å; V616-L620 VanDerWaalsContact O-CG 3.27Å; V616-L620 WeakPolarHBondContact O-CG 3.42Å; V616-L620 PolarHBondContact O-N 2.73Å; L620-H624 VanDerWaalsContact O-CB 3.23Å; L620-H624 WeakPolarHBondContact O-CB 3.49Å; L620-H624 PolarHBondContact O-N 3.04Å; L620-H624 VanDerWaalsContact O-N 3.12Å; L620-C630 HydrophobicContact CD2-CB 4.14Å; L620-F632 HydrophobicContact CD1-CE2 4.49Å; L620-F632 HydrophobicContact CD2-CE2 4.26Å; L620-F632 HydrophobicContact CG-CE2 4.31Å
621	E	78.7	Confident	71.2	Confident	73 Å²	73	73.5 Å²	73.5	34%	0.341	44%	0.441	S	S	.	.	H	α-helix	trans	-68.3	-36.5	174.6	-170	-175	141.3	0	0	112.2	K613 T617 T618 L619 K625	K613-E621 IonicContact NZ-OE1 3.81Å; K613-E621 PolarHBondContact NZ-OE1 2.97Å; K613-E621 IonicContact NZ-OE2 3.29Å; K613-E621 PolarHBondContact NZ-OE2 2.81Å; T617-E621 VanDerWaalsContact O-CB 3.31Å; T617-E621 WeakPolarHBondContact O-CB 3.45Å; T617-E621 PolarHBondContact O-N 2.59Å; T618-E621 PolarHBondContact O-N 2.94Å; L619-E621 VanDerWaalsContact C-N 3.34Å; L619-E621 PolarHBondContact O-N 3.26Å; E621-K625 HydrophobicContact CG-CD 4.45Å; E621-K625 WeakPolarHBondContact O-CD 3.34Å; E621-K625 VanDerWaalsContact O-CG 3.3Å; E621-K625 WeakPolarHBondContact O-CG 3.44Å; E621-K625 PolarHBondContact O-N 3.44Å; E621-K625 IonicContact OE1-NZ 3.6Å; E621-K625 PolarHBondContact OE1-NZ 3.4Å
622	C	74.8	Confident	73.9	Confident	42 Å²	42	68.9 Å²	68.9	28%	0.284	41%	0.405	S	S	.	.	H	α-helix	trans	-69.1	-49.5	177.2	-173.5	0	0	0	0	111.6	T618 L619 H624 K625 L626	T618-C622 VanDerWaalsContact O-CB 3.29Å; T618-C622 WeakPolarHBondContact O-CB 3.4Å; T618-C622 PolarHBondContact O-N 2.91Å; L619-C622 PolarHBondContact O-N 3.35Å; C622-H624 VanDerWaalsContact C-N 3.34Å; C622-H624 PolarHBondContact O-N 3.24Å; C622-K625 WeakPolarHBondContact O-CB 3.35Å; C622-K625 PolarHBondContact O-N 3.43Å; C622-L626 PolarHBondContact O-N 2.89Å; C622-L626 VanDerWaalsContact O-N 3.14Å
623	M	79.3	Confident	75.8	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-37.6	-179.7	-63	-58.3	99.7	0	0	111.9	L619 K625 L626 G627 N628 C630 V652 L680	L619-M623 HydrophobicContact CD1-CE 4.01Å; L619-M623 HydrophobicContact CD1-CG 3.76Å; L619-M623 HydrophobicContact CD1-SD 4.25Å; L619-M623 HydrophobicContact CG-CG 4.29Å; L619-M623 VanDerWaalsContact O-CG 3.3Å; L619-M623 WeakPolarHBondContact O-CG 3.34Å; L619-M623 PolarHBondContact O-N 3.27Å; M623-K625 VanDerWaalsContact C-N 3.27Å; M623-K625 PolarHBondContact O-N 3.24Å; M623-L626 HydrophobicContact CE-CD1 3.79Å; M623-L626 CarbonylContact O-C 3.59Å; M623-L626 PolarHBondContact O-N 2.94Å; M623-G627 PolarHBondContact O-N 3.18Å; M623-N628 CarbonylContact C-O 3.55Å; M623-N628 WeakPolarHBondContact CB-O 3.35Å; M623-N628 PolarHBondContact O-N 2.93Å; M623-C630 HydrophobicContact CB-CB 4.13Å; M623-C630 HydrophobicContact CG-CB 4.05Å; M623-V652 HydrophobicContact CG-CG1 4.4Å; M623-V652 HydrophobicContact CG-CG2 4.29Å; M623-V652 HydrophobicContact SD-CB 4.48Å; M623-V652 HydrophobicContact SD-CG1 3.6Å; M623-V652 HydrophobicContact SD-CG2 4.06Å; M623-L680 HydrophobicContact CE-CD1 3.64Å; M623-L680 HydrophobicContact SD-CD1 3.94Å
624	H	68.8	Low	77.2	Confident	162 Å²	162	68.6 Å²	68.6	75%	0.75	38%	0.379	S	S	*	.	H	α-helix	trans	-63.8	-28.7	172.6	-172.2	-50.3	0	0	0	113	L620 C622 L626	L620-H624 VanDerWaalsContact O-CB 3.23Å; L620-H624 WeakPolarHBondContact O-CB 3.49Å; L620-H624 PolarHBondContact O-N 3.04Å; L620-H624 VanDerWaalsContact O-N 3.12Å; C622-H624 VanDerWaalsContact C-N 3.34Å; C622-H624 PolarHBondContact O-N 3.24Å; H624-L626 VanDerWaalsContact C-N 3.34Å
625	K	69.6	Low	77.3	Confident	149 Å²	149	70.8 Å²	70.8	65%	0.648	39%	0.386	S	S	*	.	H	α-helix	trans	-78.1	-19.5	173.3	-75.6	166.8	174.6	171.1	0	113.1	E621 C622 M623	E621-K625 HydrophobicContact CG-CD 4.45Å; E621-K625 WeakPolarHBondContact O-CD 3.34Å; E621-K625 VanDerWaalsContact O-CG 3.3Å; E621-K625 WeakPolarHBondContact O-CG 3.44Å; E621-K625 PolarHBondContact O-N 3.44Å; E621-K625 IonicContact OE1-NZ 3.6Å; E621-K625 PolarHBondContact OE1-NZ 3.4Å; C622-K625 WeakPolarHBondContact O-CB 3.35Å; C622-K625 PolarHBondContact O-N 3.43Å; M623-K625 VanDerWaalsContact C-N 3.27Å; M623-K625 PolarHBondContact O-N 3.24Å
626	L	66	Low	77.4	Confident	109 Å²	109	70.4 Å²	70.4	57%	0.571	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	15.6	178.8	-65	170.5	0	0	0	112.8	C622 M623 H624 N628	C622-L626 PolarHBondContact O-N 2.89Å; C622-L626 VanDerWaalsContact O-N 3.14Å; M623-L626 HydrophobicContact CE-CD1 3.79Å; M623-L626 CarbonylContact O-C 3.59Å; M623-L626 PolarHBondContact O-N 2.94Å; H624-L626 VanDerWaalsContact C-N 3.34Å; L626-N628 PolarHBondContact O-N 3Å; L626-N628 PolarHBondContact O-ND2 3.4Å
627	G	56.5	Low	77.5	Confident	74 Å²	74	75.3 Å²	75.3	76%	0.763	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-3.1	-179.5	0	0	0	0	0	116	M623	M623-G627 PolarHBondContact O-N 3.18Å
628	N	71.4	Confident	77.2	Confident	84 Å²	84	77.4 Å²	77.4	45%	0.449	41%	0.408	S	S	.	.			trans	-92.2	137.8	-169	-81.3	-47.1	0	0	0	113.2	M623 L626 V652	M623-N628 CarbonylContact C-O 3.55Å; M623-N628 WeakPolarHBondContact CB-O 3.35Å; M623-N628 PolarHBondContact O-N 2.93Å; L626-N628 PolarHBondContact O-N 3Å; L626-N628 PolarHBondContact O-ND2 3.4Å; N628-V652 HydrophobicContact CB-CG1 3.85Å
629	S	68.2	Low	76.7	Confident	95 Å²	95	77.6 Å²	77.6	66%	0.664	42%	0.418	S	S	*	.			trans	-84.2	137.8	174.4	70.7	0	0	0	0	111.8	V652 G653	S629-V652 WeakPolarHBondContact O-CA 3.33Å; S629-G653 PolarHBondContact O-N 2.93Å
630	C	80.8	Confident	76.1	Confident	29 Å²	29	80.3 Å²	80.3	20%	0.196	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.1	-173.5	173.5	0	0	0	0	111.1	L620 M623 V650 A651 V652	L620-C630 HydrophobicContact CD2-CB 4.14Å; M623-C630 HydrophobicContact CB-CB 4.13Å; M623-C630 HydrophobicContact CG-CB 4.05Å; C630-V650 WeakPolarHBondContact SG-CG1 3.49Å; C630-A651 CarbonylContact C-O 3.55Å; C630-A651 WeakPolarHBondContact CA-O 3.28Å; C630-V652 HydrophobicContact CB-CG2 4.17Å
631	E	82.8	Confident	75.4	Confident	102 Å²	102	81.6 Å²	81.6	48%	0.477	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.2	-176.1	-170.6	-173.9	-167.1	0	0	112.2	R633 V650 A651	E631-R633 HydrophobicContact CG-CG 4.11Å; E631-R633 IonicContact OE2-CZ 3.81Å; E631-R633 IonicContact OE2-NE 3.44Å; E631-R633 PolarHBondContact OE2-NE 3.27Å; E631-R633 IonicContact OE2-NH2 2.61Å; E631-R633 PolarHBondContact OE2-NH2 3.38Å; E631-V650 CarbonylContact O-C 3.59Å; E631-V650 WeakPolarHBondContact O-CA 3.16Å; E631-A651 PolarHBondContact N-O 3.05Å; E631-A651 PolarHBondContact O-N 3.41Å
632	F	88.6	Confident	74.8	Confident	30 Å²	30	86.2 Å²	86.2	13%	0.132	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	96.9	176.1	-73	-95.9	0	0	0	111.6	V616 L619 L620 V650 K669 A673	V616-F632 HydrophobicContact CG1-CE1 4.41Å; V616-F632 HydrophobicContact CG1-CE2 4.1Å; V616-F632 HydrophobicContact CG1-CZ 3.83Å; L619-F632 HydrophobicContact CD2-CZ 4.25Å; L620-F632 HydrophobicContact CD1-CE2 4.49Å; L620-F632 HydrophobicContact CD2-CE2 4.26Å; L620-F632 HydrophobicContact CG-CE2 4.31Å; F632-V650 HydrophobicContact CD1-CG2 3.72Å; F632-V650 HydrophobicContact CE1-CG2 3.49Å; F632-V650 VanDerWaalsContact CE1-CG2 3.49Å; F632-V650 HydrophobicContact CG-CG2 4.44Å; F632-V650 HydrophobicContact CZ-CG2 4.07Å; F632-K669 HydrophobicContact CB-CD 4.2Å; F632-K669 HydrophobicContact CB-CG 4.43Å; F632-K669 HydrophobicContact CD1-CB 4.18Å; F632-K669 HydrophobicContact CD1-CD 4.36Å; F632-K669 HydrophobicContact CD1-CG 4.05Å; F632-K669 WeakPolarHBondContact CE1-O 3.48Å; F632-K669 HydrophobicContact CG-CD 4.39Å; F632-A673 HydrophobicContact CE1-CB 3.89Å; F632-A673 HydrophobicContact CZ-CB 3.9Å
633	R	86.4	Confident	74.4	Confident	100 Å²	100	88.3 Å²	88.3	38%	0.377	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.4	-176.2	-62.1	178.3	-179.5	150.7	7.7	111.3	E631 Y648 C649	E631-R633 HydrophobicContact CG-CG 4.11Å; E631-R633 IonicContact OE2-CZ 3.81Å; E631-R633 IonicContact OE2-NE 3.44Å; E631-R633 PolarHBondContact OE2-NE 3.27Å; E631-R633 IonicContact OE2-NH2 2.61Å; E631-R633 PolarHBondContact OE2-NH2 3.38Å; R633-Y648 WeakPolarHBondContact O-CA 3.26Å; R633-Y648 WeakPolarHBondContact O-CD1 3.49Å; R633-C649 PolarHBondContact N-O 3.34Å; R633-C649 PolarHBondContact O-N 3.07Å
634	L	87	Confident	74.4	Confident	78 Å²	78	89.5 Å²	89.5	41%	0.408	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.9	170.2	175.4	68.9	0	0	0	107.7	S636 Y648	L634-S636 WeakPolarHBondContact CD1-O 3.32Å; L634-Y648 HydrophobicContact CB-CD1 4.35Å; L634-Y648 HydrophobicContact CB-CE1 3.69Å; L634-Y648 HydrophobicContact CB-CE2 4.38Å; L634-Y648 HydrophobicContact CD1-CD2 3.96Å; L634-Y648 HydrophobicContact CD1-CE1 4.35Å; L634-Y648 HydrophobicContact CD1-CE2 3.49Å; L634-Y648 VanDerWaalsContact CD1-CE2 3.49Å; L634-Y648 HydrophobicContact CG-CE2 4.49Å
635	L	81.8	Confident	75.1	Confident	95 Å²	95	85.8 Å²	85.8	50%	0.497	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-46.1	-178.2	-61	-179.7	0	0	0	111.8	Q647 C649 S659	L635-Q647 HydrophobicContact CB-CB 4.48Å; L635-Q647 HydrophobicContact CB-CG 4.37Å; L635-Q647 PolarHBondContact N-O 2.94Å; L635-C649 HydrophobicContact CD1-CB 4.09Å; L635-S659 VanDerWaalsContact CD1-CB 3.49Å
636	S	80.4	Confident	75.9	Confident	24 Å²	24	79.8 Å²	79.8	17%	0.168	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.2	177.1	82.4	0	0	0	0	113.6	L634 E638 Q647	L634-S636 WeakPolarHBondContact CD1-O 3.32Å; S636-E638 WeakPolarHBondContact CB-OE1 3.39Å; S636-E638 PolarHBondContact OG-OE1 3.1Å; S636-Q647 PolarHBondContact O-N 2.58Å; S636-Q647 WeakPolarHBondContact OG-CB 3.39Å; S636-Q647 PolarHBondContact OG-OE1 3.17Å
637	K	83.9	Confident	76.9	Confident	135 Å²	135	77.3 Å²	77.3	59%	0.587	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.9	163.9	-179.2	-152.7	173.6	-146.1	0	107.6	K645 F646	K637-K645 WeakPolarHBondContact CA-O 3.3Å; K637-F646 HydrophobicContact CB-CD1 4.12Å; K637-F646 HydrophobicContact CB-CE1 4.3Å; K637-F646 HydrophobicContact CD-CE1 3.84Å; K637-F646 HydrophobicContact CD-CZ 4.45Å; K637-F646 HydrophobicContact CG-CD1 3.76Å; K637-F646 HydrophobicContact CG-CE1 3.55Å; K637-F646 HydrophobicContact CG-CZ 4.29Å
638	E	73.3	Confident	78.5	Confident	117 Å²	117	74.6 Å²	74.6	55%	0.547	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	175.1	-174.1	-71.8	164.7	-129	0	0	110.9	S636 K645	S636-E638 WeakPolarHBondContact CB-OE1 3.39Å; S636-E638 PolarHBondContact OG-OE1 3.1Å; E638-K645 PolarHBondContact N-O 3.25Å; E638-K645 PolarHBondContact O-N 3.34Å
639	G	70.8	Confident	79.2	Confident	48 Å²	48	70.8 Å²	70.8	50%	0.495	38%	0.381	S	S	.	.	S	Bend	trans	83.5	170	-179.5	0	0	0	0	0	115
640	P	68.5	Low	80.2	Confident	58 Å²	58	66.3 Å²	66.3	38%	0.377	35%	0.349	S	S	.	.			trans	-63.8	164.5	-174.9	-22.1	34.2	0	0	0	113.9	H642 E643	P640-H642 VanDerWaalsContact CB-NE2 3.35Å; P640-H642 WeakPolarHBondContact CB-NE2 3.46Å; P640-H642 PolarHBondContact O-N 2.92Å; P640-E643 CarbonylContact O-C 3.54Å; P640-E643 VanDerWaalsContact O-C 3.3Å; P640-E643 PolarHBondContact O-N 3.33Å; P640-E643 VanDerWaalsContact O-N 3.07Å
641	A	65.4	Low	80.2	Confident	104 Å²	104	65 Å²	65	86%	0.86	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.1	175.2	0	0	0	0	0	113.4
642	H	65.9	Low	80.2	Confident	169 Å²	169	60.8 Å²	60.8	78%	0.782	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-16.3	176.4	53.9	-111.3	0	0	0	114.4	P640	P640-H642 VanDerWaalsContact CB-NE2 3.35Å; P640-H642 WeakPolarHBondContact CB-NE2 3.46Å; P640-H642 PolarHBondContact O-N 2.92Å
643	E	66.7	Low	79.4	Confident	87 Å²	87	61.6 Å²	61.6	41%	0.407	34%	0.339	S	S	.	.	S	Bend	trans	-138.5	64.6	178	-160.5	-150.6	172.8	0	0	112.1	P640 K645	P640-E643 CarbonylContact O-C 3.54Å; P640-E643 VanDerWaalsContact O-C 3.3Å; P640-E643 PolarHBondContact O-N 3.33Å; P640-E643 VanDerWaalsContact O-N 3.07Å; E643-K645 PolarHBondContact O-N 2.96Å; E643-K645 WeakPolarHBondContact OE1-CE 3.5Å; E643-K645 IonicContact OE1-NZ 3.23Å; E643-K645 PolarHBondContact OE1-NZ 3.38Å; E643-K645 IonicContact OE2-NZ 2.76Å; E643-K645 PolarHBondContact OE2-NZ 3.35Å
644	P	79.2	Confident	78.4	Confident	31 Å²	31	62.1 Å²	62.1	20%	0.201	36%	0.364	C	S	.	.			trans	-76.1	116.1	-174.7	30.4	-35.4	0	0	0	112.3	F646 P663	P644-F646 HydrophobicContact CB-CE2 3.84Å; P644-F646 HydrophobicContact CB-CZ 4Å; P644-F646 HydrophobicContact CG-CE2 3.95Å; P644-F646 HydrophobicContact CG-CZ 4.31Å; P644-F646 VanDerWaalsContact O-CD2 3.31Å; P644-F646 WeakPolarHBondContact O-CD2 3.43Å; P644-F646 WeakPolarHBondContact O-CE2 3.47Å; P644-P663 CarbonylContact O-C 3.34Å; P644-P663 WeakPolarHBondContact O-CA 3.42Å
645	K	83.1	Confident	77.7	Confident	83 Å²	83	62.4 Å²	62.4	36%	0.361	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.4	176.5	-73.6	162.7	178.9	148.2	0	109.8	K637 E638 E643	K637-K645 WeakPolarHBondContact CA-O 3.3Å; E638-K645 PolarHBondContact N-O 3.25Å; E638-K645 PolarHBondContact O-N 3.34Å; E643-K645 PolarHBondContact O-N 2.96Å; E643-K645 WeakPolarHBondContact OE1-CE 3.5Å; E643-K645 IonicContact OE1-NZ 3.23Å; E643-K645 PolarHBondContact OE1-NZ 3.38Å; E643-K645 IonicContact OE2-NZ 2.76Å; E643-K645 PolarHBondContact OE2-NZ 3.35Å
646	F	87.4	Confident	77.6	Confident	24 Å²	24	61.6 Å²	61.6	11%	0.105	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.4	-178.7	-60.3	-88.2	0	0	0	109.9	K637 P644 Y648 S661 A662 K665 A668	K637-F646 HydrophobicContact CB-CD1 4.12Å; K637-F646 HydrophobicContact CB-CE1 4.3Å; K637-F646 HydrophobicContact CD-CE1 3.84Å; K637-F646 HydrophobicContact CD-CZ 4.45Å; K637-F646 HydrophobicContact CG-CD1 3.76Å; K637-F646 HydrophobicContact CG-CE1 3.55Å; K637-F646 HydrophobicContact CG-CZ 4.29Å; P644-F646 HydrophobicContact CB-CE2 3.84Å; P644-F646 HydrophobicContact CB-CZ 4Å; P644-F646 HydrophobicContact CG-CE2 3.95Å; P644-F646 HydrophobicContact CG-CZ 4.31Å; P644-F646 VanDerWaalsContact O-CD2 3.31Å; P644-F646 WeakPolarHBondContact O-CD2 3.43Å; P644-F646 WeakPolarHBondContact O-CE2 3.47Å; F646-Y648 HydrophobicContact CB-CD2 4.5Å; F646-Y648 HydrophobicContact CB-CE2 4.48Å; F646-S661 WeakPolarHBondContact O-CA 3.21Å; F646-A662 PolarHBondContact N-O 3.31Å; F646-A662 PolarHBondContact O-N 3.36Å; F646-A662 VanDerWaalsContact O-N 3.1Å; F646-K665 HydrophobicContact CB-CG 4.26Å; F646-K665 HydrophobicContact CD1-CD 4.11Å; F646-K665 HydrophobicContact CD1-CG 3.4Å; F646-K665 HydrophobicContact CD2-CG 4.15Å; F646-K665 HydrophobicContact CE1-CD 4.07Å; F646-K665 HydrophobicContact CE1-CG 3.63Å; F646-K665 HydrophobicContact CE2-CG 4.34Å; F646-K665 HydrophobicContact CG-CG 3.67Å; F646-K665 HydrophobicContact CZ-CG 4.09Å; F646-A668 HydrophobicContact CB-CB 4.38Å; F646-A668 VanDerWaalsContact O-CB 3.26Å; F646-A668 WeakPolarHBondContact O-CB 3.45Å
647	Q	86.2	Confident	77.8	Confident	56 Å²	56	60.9 Å²	60.9	26%	0.262	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123	-179.4	-168.2	169	-5.2	0	0	110.8	L635 S636 S659 V660	L635-Q647 HydrophobicContact CB-CB 4.48Å; L635-Q647 HydrophobicContact CB-CG 4.37Å; L635-Q647 PolarHBondContact N-O 2.94Å; S636-Q647 PolarHBondContact O-N 2.58Å; S636-Q647 WeakPolarHBondContact OG-CB 3.39Å; S636-Q647 PolarHBondContact OG-OE1 3.17Å; Q647-S659 PolarHBondContact NE2-OG 2.85Å; Q647-V660 CarbonylContact C-O 3.51Å; Q647-V660 WeakPolarHBondContact CA-O 3.49Å
648	Y	90.1	Very high	77.6	Confident	18 Å²	18	58.5 Å²	58.5	7%	0.071	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.9	-179.3	-91.3	-84.4	0	0	0	111.3	R633 L634 F646 S659 V660 K665 A668 K669	R633-Y648 WeakPolarHBondContact O-CA 3.26Å; R633-Y648 WeakPolarHBondContact O-CD1 3.49Å; L634-Y648 HydrophobicContact CB-CD1 4.35Å; L634-Y648 HydrophobicContact CB-CE1 3.69Å; L634-Y648 HydrophobicContact CB-CE2 4.38Å; L634-Y648 HydrophobicContact CD1-CD2 3.96Å; L634-Y648 HydrophobicContact CD1-CE1 4.35Å; L634-Y648 HydrophobicContact CD1-CE2 3.49Å; L634-Y648 VanDerWaalsContact CD1-CE2 3.49Å; L634-Y648 HydrophobicContact CG-CE2 4.49Å; F646-Y648 HydrophobicContact CB-CD2 4.5Å; F646-Y648 HydrophobicContact CB-CE2 4.48Å; Y648-S659 CarbonylContact O-C 3.57Å; Y648-S659 WeakPolarHBondContact O-CA 3.44Å; Y648-V660 PolarHBondContact N-O 3.01Å; Y648-V660 PolarHBondContact O-N 2.9Å; Y648-K665 HydrophobicContact CE2-CB 4.03Å; Y648-K665 HydrophobicContact CE2-CG 4.1Å; Y648-A668 HydrophobicContact CD2-CB 3.59Å; Y648-A668 HydrophobicContact CE2-CB 4.46Å; Y648-A668 HydrophobicContact CG-CB 4.31Å; Y648-K669 HydrophobicContact CD1-CD 4.49Å; Y648-K669 HydrophobicContact CD1-CG 3.76Å; Y648-K669 HydrophobicContact CD2-CG 4.17Å; Y648-K669 HydrophobicContact CE1-CD 4.15Å; Y648-K669 HydrophobicContact CE1-CG 3.85Å; Y648-K669 HydrophobicContact CE2-CG 4.17Å; Y648-K669 HydrophobicContact CG-CG 3.95Å; Y648-K669 VanDerWaalsContact CZ-CE 3.48Å
649	C	85.9	Confident	78	Confident	4 Å²	4	55.4 Å²	55.4	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	169.1	164.2	71.5	0	0	0	0	110.6	R633 L635 T656 F657	R633-C649 PolarHBondContact N-O 3.34Å; R633-C649 PolarHBondContact O-N 3.07Å; L635-C649 HydrophobicContact CD1-CB 4.09Å; C649-T656 HydrophobicContact CB-CG2 4.49Å; C649-F657 WeakPolarHBondContact CB-O 3.4Å
650	V	89.9	Confident	78.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.7	170.2	-176.9	0	0	0	0	108.9	L619 C630 E631 F632 V652 F657 A672 A676	L619-V650 HydrophobicContact CD2-CG1 4.21Å; L619-V650 HydrophobicContact CD2-CG2 4.44Å; C630-V650 WeakPolarHBondContact SG-CG1 3.49Å; E631-V650 CarbonylContact O-C 3.59Å; E631-V650 WeakPolarHBondContact O-CA 3.16Å; F632-V650 HydrophobicContact CD1-CG2 3.72Å; F632-V650 HydrophobicContact CE1-CG2 3.49Å; F632-V650 VanDerWaalsContact CE1-CG2 3.49Å; F632-V650 HydrophobicContact CG-CG2 4.44Å; F632-V650 HydrophobicContact CZ-CG2 4.07Å; V650-V652 HydrophobicContact CG1-CG2 4.06Å; V650-F657 HydrophobicContact CB-CD2 4.33Å; V650-F657 HydrophobicContact CG1-CD2 4.5Å; V650-F657 PolarHBondContact O-N 3.3Å; V650-A672 HydrophobicContact CG2-CB 3.92Å; V650-A672 VanDerWaalsContact CG2-O 3.27Å; V650-A672 WeakPolarHBondContact CG2-O 3.3Å; V650-A676 HydrophobicContact CB-CB 3.98Å; V650-A676 HydrophobicContact CG1-CB 4.27Å; V650-A676 HydrophobicContact CG2-CB 4.17Å
651	A	82	Confident	79.5	Confident	3 Å²	3	54.7 Å²	54.7	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.3	164.2	0	0	0	0	0	109.7	C630 E631 Q655	C630-A651 CarbonylContact C-O 3.55Å; C630-A651 WeakPolarHBondContact CA-O 3.28Å; E631-A651 PolarHBondContact N-O 3.05Å; E631-A651 PolarHBondContact O-N 3.41Å; A651-Q655 CarbonylContact C-O 3.57Å; A651-Q655 VanDerWaalsContact CA-O 3.32Å; A651-Q655 WeakPolarHBondContact CA-O 3.45Å
652	V	81.5	Confident	80.6	Confident	13 Å²	13	50 Å²	50	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.3	173	179.7	0	0	0	0	107.6	M623 N628 S629 C630 V650 A654 Q655 F657	M623-V652 HydrophobicContact CG-CG1 4.4Å; M623-V652 HydrophobicContact CG-CG2 4.29Å; M623-V652 HydrophobicContact SD-CB 4.48Å; M623-V652 HydrophobicContact SD-CG1 3.6Å; M623-V652 HydrophobicContact SD-CG2 4.06Å; N628-V652 HydrophobicContact CB-CG1 3.85Å; S629-V652 WeakPolarHBondContact O-CA 3.33Å; C630-V652 HydrophobicContact CB-CG2 4.17Å; V650-V652 HydrophobicContact CG1-CG2 4.06Å; V652-A654 PolarHBondContact O-N 3.38Å; V652-Q655 PolarHBondContact N-O 3.02Å; V652-Q655 PolarHBondContact O-N 2.92Å; V652-F657 HydrophobicContact CB-CE2 3.99Å; V652-F657 HydrophobicContact CG2-CD2 4.44Å; V652-F657 HydrophobicContact CG2-CE2 3.79Å
653	G	73.1	Confident	81.2	Confident	47 Å²	47	46.3 Å²	46.3	49%	0.485	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	-121.1	-171.9	0	0	0	0	0	111.9	S629	S629-G653 PolarHBondContact O-N 2.93Å
654	A	64	Low	82.1	Confident	110 Å²	110	44.1 Å²	44.1	91%	0.909	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.3	176.9	0	0	0	0	0	114.2	V652	V652-A654 PolarHBondContact O-N 3.38Å
655	Q	72.5	Confident	82.4	Confident	85 Å²	85	47.5 Å²	47.5	40%	0.397	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.5	-171.5	-162.6	168.4	1.2	0	0	110.8	A651 V652 F657 E683	A651-Q655 CarbonylContact C-O 3.57Å; A651-Q655 VanDerWaalsContact CA-O 3.32Å; A651-Q655 WeakPolarHBondContact CA-O 3.45Å; V652-Q655 PolarHBondContact N-O 3.02Å; V652-Q655 PolarHBondContact O-N 2.92Å; Q655-F657 HydrophobicContact CG-CE1 4.46Å; Q655-F657 HydrophobicContact CG-CZ 4.23Å; Q655-E683 PolarHBondContact NE2-OE1 2.96Å
656	T	80.8	Confident	82.4	Confident	77 Å²	77	51.5 Å²	51.5	47%	0.472	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.7	178.2	-58.7	0	0	0	0	109.5	C649	C649-T656 HydrophobicContact CB-CG2 4.49Å
657	F	83.9	Confident	82.2	Confident	10 Å²	10	53.3 Å²	53.3	4%	0.044	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-81.1	159.8	-176.3	-64.5	-76.2	0	0	0	112	C649 V650 V652 Q655 A676 A679 L680	C649-F657 WeakPolarHBondContact CB-O 3.4Å; V650-F657 HydrophobicContact CB-CD2 4.33Å; V650-F657 HydrophobicContact CG1-CD2 4.5Å; V650-F657 PolarHBondContact O-N 3.3Å; V652-F657 HydrophobicContact CB-CE2 3.99Å; V652-F657 HydrophobicContact CG2-CD2 4.44Å; V652-F657 HydrophobicContact CG2-CE2 3.79Å; Q655-F657 HydrophobicContact CG-CE1 4.46Å; Q655-F657 HydrophobicContact CG-CZ 4.23Å; F657-A676 HydrophobicContact CB-CB 4.09Å; F657-A676 HydrophobicContact CD1-CB 4.38Å; F657-A676 HydrophobicContact CD2-CB 3.65Å; F657-A676 HydrophobicContact CE2-CB 4.23Å; F657-A676 HydrophobicContact CG-CB 3.75Å; F657-A679 HydrophobicContact CD1-CB 3.55Å; F657-A679 HydrophobicContact CE1-CB 3.54Å; F657-L680 HydrophobicContact CE1-CG 4.27Å; F657-L680 HydrophobicContact CZ-CD1 4.26Å; F657-L680 HydrophobicContact CZ-CD2 3.82Å; F657-L680 HydrophobicContact CZ-CG 3.78Å
658	P	79	Confident	82.2	Confident	84 Å²	84	50.7 Å²	50.7	55%	0.545	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-52.4	145.3	-179.2	-28.6	36.4	0	0	0	113.8
659	S	82.2	Confident	82.1	Confident	52 Å²	52	53.1 Å²	53.1	36%	0.364	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-83.3	132.8	178.3	66	0	0	0	0	111.9	L635 Q647 Y648	L635-S659 VanDerWaalsContact CD1-CB 3.49Å; Q647-S659 PolarHBondContact NE2-OG 2.85Å; Y648-S659 CarbonylContact O-C 3.57Å; Y648-S659 WeakPolarHBondContact O-CA 3.44Å
660	V	86.6	Confident	82.3	Confident	29 Å²	29	56 Å²	56	18%	0.176	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.3	175.4	-59.7	0	0	0	0	111	Q647 Y648 A668 M671 A672 E675	Q647-V660 CarbonylContact C-O 3.51Å; Q647-V660 WeakPolarHBondContact CA-O 3.49Å; Y648-V660 PolarHBondContact N-O 3.01Å; Y648-V660 PolarHBondContact O-N 2.9Å; V660-A668 WeakPolarHBondContact CG2-O 3.49Å; V660-M671 HydrophobicContact CB-CB 4.45Å; V660-M671 HydrophobicContact CG2-CB 3.84Å; V660-A672 HydrophobicContact CG2-CB 3.77Å; V660-E675 HydrophobicContact CG1-CB 4.47Å
661	S	84.6	Confident	82.1	Confident	63 Å²	63	59 Å²	59	44%	0.441	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.8	-178.7	-167.7	0	0	0	0	111.5	F646 M671	F646-S661 WeakPolarHBondContact O-CA 3.21Å; S661-M671 WeakPolarHBondContact O-CE 3.47Å
662	A	88.3	Confident	82.5	Confident	4 Å²	4	59 Å²	59	3%	0.033	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	158	-179.2	0	0	0	0	0	113	F646 S664 V667 A668 M671	F646-A662 PolarHBondContact N-O 3.31Å; F646-A662 PolarHBondContact O-N 3.36Å; F646-A662 VanDerWaalsContact O-N 3.1Å; A662-S664 PolarHBondContact O-N 3.13Å; A662-V667 HydrophobicContact CB-CB 4.02Å; A662-V667 HydrophobicContact CB-CG1 3.89Å; A662-A668 HydrophobicContact CB-CB 3.67Å; A662-M671 HydrophobicContact CB-CE 3.54Å
663	P	78.6	Confident	82.8	Confident	92 Å²	92	58.3 Å²	58.3	60%	0.597	34%	0.344	S	S	*	.	S	Bend	trans	-69.5	0.4	179	29.2	-36.9	0	0	0	114.7	P644	P644-P663 CarbonylContact O-C 3.34Å; P644-P663 WeakPolarHBondContact O-CA 3.42Å
664	S	85.3	Confident	83.4	Confident	42 Å²	42	59.1 Å²	59.1	29%	0.294	34%	0.336	S	S	.	.	S	Bend	trans	-150.1	148.6	169.5	76.6	0	0	0	0	112.7	A662 K666 V667 A668	A662-S664 PolarHBondContact O-N 3.13Å; S664-K666 PolarHBondContact O-N 2.92Å; S664-V667 PolarHBondContact O-N 2.93Å; S664-V667 WeakPolarHBondContact OG-CG2 3.46Å; S664-V667 PolarHBondContact OG-N 3.01Å; S664-A668 WeakPolarHBondContact O-CB 3.33Å; S664-A668 PolarHBondContact O-N 3.06Å
665	K	84.8	Confident	84.4	Confident	102 Å²	102	57.1 Å²	57.1	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-55.4	-24.2	173.3	-62.3	-171.5	175.3	-175.5	0	113.9	F646 Y648 K669	F646-K665 HydrophobicContact CB-CG 4.26Å; F646-K665 HydrophobicContact CD1-CD 4.11Å; F646-K665 HydrophobicContact CD1-CG 3.4Å; F646-K665 HydrophobicContact CD2-CG 4.15Å; F646-K665 HydrophobicContact CE1-CD 4.07Å; F646-K665 HydrophobicContact CE1-CG 3.63Å; F646-K665 HydrophobicContact CE2-CG 4.34Å; F646-K665 HydrophobicContact CG-CG 3.67Å; F646-K665 HydrophobicContact CZ-CG 4.09Å; Y648-K665 HydrophobicContact CE2-CB 4.03Å; Y648-K665 HydrophobicContact CE2-CG 4.1Å; K665-K669 WeakPolarHBondContact O-CB 3.21Å; K665-K669 WeakPolarHBondContact O-CG 3.41Å; K665-K669 PolarHBondContact O-N 2.83Å
666	K	83.6	Confident	85	Confident	167 Å²	167	53 Å²	53	73%	0.726	29%	0.288	S	S	*	.	H	α-helix	trans	-76.6	-49.2	178	-172.1	-173.9	174.7	-167	0	111	S664 Q670	S664-K666 PolarHBondContact O-N 2.92Å; K666-Q670 PolarHBondContact O-N 2.94Å; K666-Q670 VanDerWaalsContact O-N 3.08Å
667	V	83.7	Confident	85	Confident	62 Å²	62	51.2 Å²	51.2	38%	0.376	28%	0.275	S	S	.	.	H	α-helix	trans	-68.7	-41.7	179.5	178.4	0	0	0	0	110.6	A662 S664 K669 Q670 M671	A662-V667 HydrophobicContact CB-CB 4.02Å; A662-V667 HydrophobicContact CB-CG1 3.89Å; S664-V667 PolarHBondContact O-N 2.93Å; S664-V667 WeakPolarHBondContact OG-CG2 3.46Å; S664-V667 PolarHBondContact OG-N 3.01Å; V667-K669 PolarHBondContact O-N 3.32Å; V667-Q670 PolarHBondContact O-N 3.09Å; V667-M671 HydrophobicContact CG1-CE 4.23Å; V667-M671 HydrophobicContact CG1-CG 4.3Å; V667-M671 HydrophobicContact CG1-SD 4.12Å; V667-M671 PolarHBondContact O-N 3.3Å
668	A	86.1	Confident	84.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-44.1	176.8	0	0	0	0	0	112.3	F646 Y648 V660 A662 S664 Q670 A672	F646-A668 HydrophobicContact CB-CB 4.38Å; F646-A668 VanDerWaalsContact O-CB 3.26Å; F646-A668 WeakPolarHBondContact O-CB 3.45Å; Y648-A668 HydrophobicContact CD2-CB 3.59Å; Y648-A668 HydrophobicContact CE2-CB 4.46Å; Y648-A668 HydrophobicContact CG-CB 4.31Å; V660-A668 WeakPolarHBondContact CG2-O 3.49Å; A662-A668 HydrophobicContact CB-CB 3.67Å; S664-A668 WeakPolarHBondContact O-CB 3.33Å; S664-A668 PolarHBondContact O-N 3.06Å; A668-Q670 VanDerWaalsContact C-N 3.33Å; A668-Q670 PolarHBondContact O-N 2.83Å; A668-A672 VanDerWaalsContact O-CB 3.23Å; A668-A672 WeakPolarHBondContact O-CB 3.18Å; A668-A672 PolarHBondContact O-N 2.71Å
669	K	88.9	Confident	84.6	Confident	70 Å²	70	54.4 Å²	54.4	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-33.4	172.9	-78.1	-167.5	172.3	-152.6	0	113.5	F632 Y648 K665 V667 A673	F632-K669 HydrophobicContact CB-CD 4.2Å; F632-K669 HydrophobicContact CB-CG 4.43Å; F632-K669 HydrophobicContact CD1-CB 4.18Å; F632-K669 HydrophobicContact CD1-CD 4.36Å; F632-K669 HydrophobicContact CD1-CG 4.05Å; F632-K669 WeakPolarHBondContact CE1-O 3.48Å; F632-K669 HydrophobicContact CG-CD 4.39Å; Y648-K669 HydrophobicContact CD1-CD 4.49Å; Y648-K669 HydrophobicContact CD1-CG 3.76Å; Y648-K669 HydrophobicContact CD2-CG 4.17Å; Y648-K669 HydrophobicContact CE1-CD 4.15Å; Y648-K669 HydrophobicContact CE1-CG 3.85Å; Y648-K669 HydrophobicContact CE2-CG 4.17Å; Y648-K669 HydrophobicContact CG-CG 3.95Å; Y648-K669 VanDerWaalsContact CZ-CE 3.48Å; K665-K669 WeakPolarHBondContact O-CB 3.21Å; K665-K669 WeakPolarHBondContact O-CG 3.41Å; K665-K669 PolarHBondContact O-N 2.83Å; V667-K669 PolarHBondContact O-N 3.32Å; K669-A673 PolarHBondContact O-N 3.33Å; K669-A673 VanDerWaalsContact O-N 3.11Å
670	Q	89.4	Confident	84.3	Confident	65 Å²	65	54 Å²	54	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-51.3	177.7	-167.8	-176.3	-53.5	0	0	111.2	P615 V616 K666 V667 A668 A672 A673 E674	P615-Q670 HydrophobicContact CB-CG 4.21Å; P615-Q670 HydrophobicContact CG-CG 4.03Å; V616-Q670 HydrophobicContact CG2-CB 4.3Å; K666-Q670 PolarHBondContact O-N 2.94Å; K666-Q670 VanDerWaalsContact O-N 3.08Å; V667-Q670 PolarHBondContact O-N 3.09Å; A668-Q670 VanDerWaalsContact C-N 3.33Å; A668-Q670 PolarHBondContact O-N 2.83Å; Q670-A672 VanDerWaalsContact C-N 3.27Å; Q670-A672 PolarHBondContact O-N 3.22Å; Q670-A673 WeakPolarHBondContact O-CB 3.42Å; Q670-A673 PolarHBondContact O-N 2.86Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.39Å; Q670-E674 PolarHBondContact NE2-OE1 3.19Å; Q670-E674 WeakPolarHBondContact O-CG 3.27Å; Q670-E674 PolarHBondContact O-N 3.17Å
671	M	85.9	Confident	83.5	Confident	62 Å²	62	58 Å²	58	31%	0.305	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-34.9	176.9	-62.9	-174.1	-44.7	0	0	111.6	V660 S661 A662 V667 A673 E674 E675	V660-M671 HydrophobicContact CB-CB 4.45Å; V660-M671 HydrophobicContact CG2-CB 3.84Å; S661-M671 WeakPolarHBondContact O-CE 3.47Å; A662-M671 HydrophobicContact CB-CE 3.54Å; V667-M671 HydrophobicContact CG1-CE 4.23Å; V667-M671 HydrophobicContact CG1-CG 4.3Å; V667-M671 HydrophobicContact CG1-SD 4.12Å; V667-M671 PolarHBondContact O-N 3.3Å; M671-A673 VanDerWaalsContact C-N 3.29Å; M671-A673 PolarHBondContact O-N 3.24Å; M671-E674 PolarHBondContact O-N 2.73Å; M671-E675 WeakPolarHBondContact O-CB 3.47Å; M671-E675 PolarHBondContact O-N 3.42Å
672	A	89.4	Confident	81.9	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-34.3	175.1	0	0	0	0	0	112	V650 V660 A668 Q670 A676	V650-A672 HydrophobicContact CG2-CB 3.92Å; V650-A672 VanDerWaalsContact CG2-O 3.27Å; V650-A672 WeakPolarHBondContact CG2-O 3.3Å; V660-A672 HydrophobicContact CG2-CB 3.77Å; A668-A672 VanDerWaalsContact O-CB 3.23Å; A668-A672 WeakPolarHBondContact O-CB 3.18Å; A668-A672 PolarHBondContact O-N 2.71Å; Q670-A672 VanDerWaalsContact C-N 3.27Å; Q670-A672 PolarHBondContact O-N 3.22Å; A672-A676 WeakPolarHBondContact O-CB 3.4Å; A672-A676 PolarHBondContact O-N 3.09Å; A672-A676 VanDerWaalsContact O-N 3.16Å
673	A	88.6	Confident	80.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-71.9	-40.8	172.6	0	0	0	0	0	112.2	P615 V616 L619 F632 K669 Q670 M671 E675 M677	P615-A673 HydrophobicContact CB-CB 4.35Å; V616-A673 HydrophobicContact CB-CB 4.42Å; V616-A673 HydrophobicContact CG2-CB 4.02Å; L619-A673 HydrophobicContact CB-CB 4.35Å; L619-A673 HydrophobicContact CD2-CB 3.93Å; F632-A673 HydrophobicContact CE1-CB 3.89Å; F632-A673 HydrophobicContact CZ-CB 3.9Å; K669-A673 PolarHBondContact O-N 3.33Å; K669-A673 VanDerWaalsContact O-N 3.11Å; Q670-A673 WeakPolarHBondContact O-CB 3.42Å; Q670-A673 PolarHBondContact O-N 2.86Å; M671-A673 VanDerWaalsContact C-N 3.29Å; M671-A673 PolarHBondContact O-N 3.24Å; A673-E675 VanDerWaalsContact C-N 3.35Å; A673-M677 WeakPolarHBondContact O-CB 3.39Å; A673-M677 WeakPolarHBondContact O-CG 3.38Å; A673-M677 PolarHBondContact O-N 3Å
674	E	86.5	Confident	79.1	Confident	64 Å²	64	59.4 Å²	59.4	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175.6	-68.7	164.2	-168.8	0	0	111.3	P615 Q670 M671 M677 K678	P615-E674 HydrophobicContact CB-CG 3.57Å; P615-E674 HydrophobicContact CG-CG 3.69Å; P615-E674 WeakPolarHBondContact CG-OE1 3.32Å; Q670-E674 WeakPolarHBondContact CG-OE1 3.39Å; Q670-E674 PolarHBondContact NE2-OE1 3.19Å; Q670-E674 WeakPolarHBondContact O-CG 3.27Å; Q670-E674 PolarHBondContact O-N 3.17Å; M671-E674 PolarHBondContact O-N 2.73Å; E674-M677 WeakPolarHBondContact O-CB 3.39Å; E674-M677 PolarHBondContact O-N 2.76Å; E674-K678 WeakPolarHBondContact O-CG 3.43Å; E674-K678 PolarHBondContact O-N 2.98Å
675	E	83.5	Confident	77	Confident	67 Å²	67	62.7 Å²	62.7	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-71	-41.9	-179.2	-154.3	63.6	-165.8	0	0	112.7	V660 M671 A673 M677 K678 A679	V660-E675 HydrophobicContact CG1-CB 4.47Å; M671-E675 WeakPolarHBondContact O-CB 3.47Å; M671-E675 PolarHBondContact O-N 3.42Å; A673-E675 VanDerWaalsContact C-N 3.35Å; E675-M677 VanDerWaalsContact C-N 3.32Å; E675-M677 PolarHBondContact O-N 2.63Å; E675-K678 PolarHBondContact O-N 2.76Å; E675-K678 WeakPolarHBondContact OE2-CE 3.42Å; E675-K678 IonicContact OE2-NZ 2.7Å; E675-K678 PolarHBondContact OE2-NZ 2.79Å; E675-A679 PolarHBondContact O-N 3.16Å
676	A	85.3	Confident	75	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-38.8	172	0	0	0	0	0	111.9	L619 V650 F657 A672 A679 L680	L619-A676 HydrophobicContact CD2-CB 3.89Å; V650-A676 HydrophobicContact CB-CB 3.98Å; V650-A676 HydrophobicContact CG1-CB 4.27Å; V650-A676 HydrophobicContact CG2-CB 4.17Å; F657-A676 HydrophobicContact CB-CB 4.09Å; F657-A676 HydrophobicContact CD1-CB 4.38Å; F657-A676 HydrophobicContact CD2-CB 3.65Å; F657-A676 HydrophobicContact CE2-CB 4.23Å; F657-A676 HydrophobicContact CG-CB 3.75Å; A672-A676 WeakPolarHBondContact O-CB 3.4Å; A672-A676 PolarHBondContact O-N 3.09Å; A672-A676 VanDerWaalsContact O-N 3.16Å; A676-A679 PolarHBondContact O-N 3.49Å; A676-L680 WeakPolarHBondContact O-CB 3.4Å; A676-L680 WeakPolarHBondContact O-CD1 3.11Å; A676-L680 VanDerWaalsContact O-CG 3.29Å; A676-L680 WeakPolarHBondContact O-CG 3.33Å; A676-L680 PolarHBondContact O-N 3.49Å; A676-L680 VanDerWaalsContact O-N 3.13Å
677	M	80.9	Confident	72.9	Confident	38 Å²	38	60.9 Å²	60.9	19%	0.187	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-47	173.3	-73.1	-81.5	-70.2	0	0	111.5	T618 L619 A673 E674 E675 A679 L680 H681	T618-M677 HydrophobicContact CG2-CE 3.84Å; L619-M677 HydrophobicContact CB-CG 3.96Å; L619-M677 HydrophobicContact CB-SD 3.87Å; L619-M677 HydrophobicContact CD1-CG 3.99Å; L619-M677 HydrophobicContact CD1-SD 3.72Å; L619-M677 HydrophobicContact CG-CG 4.39Å; L619-M677 HydrophobicContact CG-SD 4.37Å; A673-M677 WeakPolarHBondContact O-CB 3.39Å; A673-M677 WeakPolarHBondContact O-CG 3.38Å; A673-M677 PolarHBondContact O-N 3Å; E674-M677 WeakPolarHBondContact O-CB 3.39Å; E674-M677 PolarHBondContact O-N 2.76Å; E675-M677 VanDerWaalsContact C-N 3.32Å; E675-M677 PolarHBondContact O-N 2.63Å; M677-A679 PolarHBondContact O-N 3.18Å; M677-L680 PolarHBondContact O-N 3.17Å; M677-H681 PolarHBondContact O-N 2.97Å; M677-H681 VanDerWaalsContact O-N 3.13Å; M677-H681 PolarHBondContact O-ND1 3.37Å
678	K	79.8	Confident	70.7	Confident	127 Å²	127	66.4 Å²	66.4	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-57.9	-48.8	177.4	-70	173	-160.8	162.8	0	112	E674 E675 L680 H681 G682	E674-K678 WeakPolarHBondContact O-CG 3.43Å; E674-K678 PolarHBondContact O-N 2.98Å; E675-K678 PolarHBondContact O-N 2.76Å; E675-K678 WeakPolarHBondContact OE2-CE 3.42Å; E675-K678 IonicContact OE2-NZ 2.7Å; E675-K678 PolarHBondContact OE2-NZ 2.79Å; K678-L680 PolarHBondContact O-N 3.39Å; K678-H681 PolarHBondContact O-N 2.89Å; K678-G682 PolarHBondContact O-N 2.94Å
679	A	75.8	Confident	68.3	Low	34 Å²	34	70.9 Å²	70.9	28%	0.281	40%	0.397	S	S	.	.	H	α-helix	trans	-58.7	-47.8	-178.7	0	0	0	0	0	111.6	F657 E675 A676 M677 H681 G682 E683	F657-A679 HydrophobicContact CD1-CB 3.55Å; F657-A679 HydrophobicContact CE1-CB 3.54Å; E675-A679 PolarHBondContact O-N 3.16Å; A676-A679 PolarHBondContact O-N 3.49Å; M677-A679 PolarHBondContact O-N 3.18Å; A679-H681 VanDerWaalsContact C-N 3.28Å; A679-H681 PolarHBondContact O-N 3.21Å; A679-G682 PolarHBondContact O-N 3.24Å; A679-G682 VanDerWaalsContact O-N 3.09Å; A679-E683 PolarHBondContact O-N 3.29Å
680	L	75.3	Confident	65.5	Low	44 Å²	44	73.7 Å²	73.7	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-62.4	-30.3	177.6	-71.3	166.2	0	0	0	113.6	L619 M623 F657 A676 M677 K678 A684	L619-L680 HydrophobicContact CD1-CD1 4.06Å; M623-L680 HydrophobicContact CE-CD1 3.64Å; M623-L680 HydrophobicContact SD-CD1 3.94Å; F657-L680 HydrophobicContact CE1-CG 4.27Å; F657-L680 HydrophobicContact CZ-CD1 4.26Å; F657-L680 HydrophobicContact CZ-CD2 3.82Å; F657-L680 HydrophobicContact CZ-CG 3.78Å; A676-L680 WeakPolarHBondContact O-CB 3.4Å; A676-L680 WeakPolarHBondContact O-CD1 3.11Å; A676-L680 VanDerWaalsContact O-CG 3.29Å; A676-L680 WeakPolarHBondContact O-CG 3.33Å; A676-L680 PolarHBondContact O-N 3.49Å; A676-L680 VanDerWaalsContact O-N 3.13Å; M677-L680 PolarHBondContact O-N 3.17Å; K678-L680 PolarHBondContact O-N 3.39Å; L680-A684 PolarHBondContact O-N 3.17Å
681	H	69.1	Low	62.7	Low	114 Å²	114	77.2 Å²	77.2	53%	0.528	45%	0.446	S	S	.	.	H	α-helix	trans	-77.7	-33.9	173.7	-71.7	66.6	0	0	0	112.1	M677 K678 A679 A684 T685	M677-H681 PolarHBondContact O-N 2.97Å; M677-H681 VanDerWaalsContact O-N 3.13Å; M677-H681 PolarHBondContact O-ND1 3.37Å; K678-H681 PolarHBondContact O-N 2.89Å; A679-H681 VanDerWaalsContact C-N 3.28Å; A679-H681 PolarHBondContact O-N 3.21Å; H681-A684 PolarHBondContact O-N 2.8Å; H681-T685 PolarHBondContact O-N 3.48Å; H681-T685 PolarHBondContact O-OG1 3.17Å
682	G	50.8	Low	60	Low	31 Å²	31	81 Å²	81	32%	0.32	47%	0.468	S	S	.	.	H	α-helix	trans	-70.7	-31.8	176.3	0	0	0	0	0	113.8	K678 A679 T685 N686	K678-G682 PolarHBondContact O-N 2.94Å; A679-G682 PolarHBondContact O-N 3.24Å; A679-G682 VanDerWaalsContact O-N 3.09Å; G682-T685 PolarHBondContact O-OG1 2.98Å; G682-N686 PolarHBondContact O-ND2 3.47Å
683	E	57	Low	57.2	Low	94 Å²	94	89 Å²	89	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-69	-42.2	172.1	-71.1	174	149.9	0	0	111	Q655 A679 T685 N686	Q655-E683 PolarHBondContact NE2-OE1 2.96Å; A679-E683 PolarHBondContact O-N 3.29Å; E683-T685 VanDerWaalsContact C-N 3.26Å; E683-T685 PolarHBondContact O-N 3.2Å; E683-N686 PolarHBondContact O-N 3.4Å
684	A	52.4	Low	54.7	Low	63 Å²	63	94 Å²	94	52%	0.521	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-24.7	179.5	0	0	0	0	0	114.6	L680 H681 S687	L680-A684 PolarHBondContact O-N 3.17Å; H681-A684 PolarHBondContact O-N 2.8Å; A684-S687 PolarHBondContact O-OG 2.96Å
685	T	40.3	Very low	51.8	Low	111 Å²	111	99.8 Å²	99.8	68%	0.681	56%	0.564	S	S	*	*	H	α-helix	trans	-85.1	-18.2	176.9	50.1	0	0	0	0	114.1	H681 G682 E683	H681-T685 PolarHBondContact O-N 3.48Å; H681-T685 PolarHBondContact O-OG1 3.17Å; G682-T685 PolarHBondContact O-OG1 2.98Å; E683-T685 VanDerWaalsContact C-N 3.26Å; E683-T685 PolarHBondContact O-N 3.2Å
686	N	43	Very low	49	Very low	136 Å²	136	100.4 Å²	100.4	73%	0.727	59%	0.588	S	S	*	*	H	α-helix	trans	-93.4	-7.9	-176.4	-76.9	-56.5	0	0	0	113.6	G682 E683	G682-N686 PolarHBondContact O-ND2 3.47Å; E683-N686 PolarHBondContact O-N 3.4Å
687	S	40.1	Very low	46.1	Very low	95 Å²	95	108.7 Å²	108.7	66%	0.664	63%	0.629	S	S	*	*	S	Bend	trans	-93.6	14.8	-174.2	62.3	0	0	0	0	115.4	A684	A684-S687 PolarHBondContact O-OG 2.96Å
688	M	36.4	Very low	43.6	Very low	177 Å²	177	114 Å²	114	87%	0.872	66%	0.657	S	S	*	*	S	Bend	trans	-116.9	34.8	-175.8	-65.4	-153.6	126.8	0	0	114.3
689	A	36	Very low	41	Very low	95 Å²	95	113.2 Å²	113.2	79%	0.785	67%	0.667	S	S	*	*			trans	-147.1	53.5	-176.2	0	0	0	0	0	115.6
690	S	30.3	Very low	38.7	Very low	128 Å²	128	121.1 Å²	121.1	90%	0.895	70%	0.698	S	S	*	*			trans	-159.2	153.8	160.2	58.5	0	0	0	0	110.8
691	D	30.8	Very low	36.4	Very low	140 Å²	140	123.3 Å²	123.3	75%	0.749	72%	0.717	S	S	*	*			trans	-129.4	158.6	-154.4	-166.6	19.7	0	0	0	115.5
692	N	28.8	Very low	34.6	Very low	142 Å²	142	126 Å²	126	76%	0.759	73%	0.734	S	S	*	*			trans	75.7	155.9	166.8	-70.7	-60.7	0	0	0	123.1
693	Q	30	Very low	33.4	Very low	168 Å²	168	132.1 Å²	132.1	79%	0.785	76%	0.76	S	S	*	*			trans	-86.6	176.4	-173.5	-79.1	-76.9	-43.1	0	0	112.7
694	P	36.5	Very low	32	Very low	106 Å²	106	135 Å²	135	69%	0.688	78%	0.778	S	S	*	*			cis	-142.3	173.5	21.4	42.7	-22.9	0	0	0	119.8
695	E	25.8	Very low	31.2	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	79%	0.792	S	S	*	*			trans	41	124.3	149.6	-67.1	-176.7	157.4	0	0	122.2
696	G	23.8	Very low	30.6	Very low	79 Å²	79	143 Å²	143	81%	0.814	80%	0.801	S	S	*	*			trans	173.7	60.7	170.3	0	0	0	0	0	120
697	M	25.9	Very low	29.9	Very low	175 Å²	175	141.6 Å²	141.6	86%	0.862	80%	0.802	S	S	*	*			trans	34.2	133.5	157.4	-102.5	-170.1	171.4	0	0	124.4
698	I	28.8	Very low	29.3	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	81%	0.811	S	S	*	*			trans	72.5	106.6	149.1	-55.5	163.8	0	0	0	119
699	S	24.9	Very low	29	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	80%	0.799	S	S	*	*				-171.2	106.6	118	179.7	0	0	0	0	110.7
700	E	25.8	Very low	29.1	Very low	200 Å²	200	142.5 Å²	142.5	94%	0.935	79%	0.788	S	S	*	*			trans	-87.7	133.6	172.9	-65.7	-172	133.7	0	0	111.6
701	S	28.7	Very low	29.5	Very low	90 Å²	90	140.5 Å²	140.5	63%	0.629	77%	0.768	S	S	*	*			trans	-151.7	113.1	167	64.3	0	0	0	0	115.1	D703	S701-D703 PolarHBondContact O-N 2.73Å; S701-D703 VanDerWaalsContact O-N 3.13Å
702	L	30.4	Very low	30	Very low	171 Å²	171	141 Å²	141	90%	0.895	76%	0.763	S	S	*	*	S	Bend	trans	70.2	-12	140.2	-82	161.2	0	0	0	123.8	N704	L702-N704 PolarHBondContact O-N 2.83Å
703	D	25.9	Very low	30.4	Very low	160 Å²	160	137.4 Å²	137.4	86%	0.856	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-79.9	-9.3	-176.5	-80.7	-31.6	0	0	0	116.5	S701 L705	S701-D703 PolarHBondContact O-N 2.73Å; S701-D703 VanDerWaalsContact O-N 3.13Å; D703-L705 PolarHBondContact O-N 3.29Å
704	N	28.2	Very low	31.2	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-95	21.2	-166.7	-106.5	-29.8	0	0	0	116.6	L702	L702-N704 PolarHBondContact O-N 2.83Å
705	L	34.1	Very low	31.9	Very low	156 Å²	156	135 Å²	135	82%	0.817	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-117.5	-11.7	-175.8	-157.1	62.2	0	0	0	116.4	D703	D703-L705 PolarHBondContact O-N 3.29Å
706	E	28.2	Very low	32.9	Very low	188 Å²	188	127.4 Å²	127.4	88%	0.879	68%	0.684	S	S	*	*	S	Bend	trans	-87.6	-13.4	177.2	-76.1	-154.5	132	0	0	114.8	M708	E706-M708 VanDerWaalsContact C-N 3.26Å; E706-M708 PolarHBondContact O-N 3.48Å
707	S	28.8	Very low	33.9	Very low	105 Å²	105	125.7 Å²	125.7	73%	0.734	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-4.3	-173.5	63.5	0	0	0	0	115.5
708	M	28.1	Very low	35.2	Very low	175 Å²	175	120 Å²	120	86%	0.862	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	25.7	-169.8	-149.5	-171.4	-179.2	0	0	115.3	E706	E706-M708 VanDerWaalsContact C-N 3.26Å; E706-M708 PolarHBondContact O-N 3.48Å
709	M	29.6	Very low	36.3	Very low	124 Å²	124	113.5 Å²	113.5	61%	0.611	60%	0.604	S	S	*	*	S	Bend	trans	-108.5	131.1	176.7	-82.5	-69.4	-174.9	0	0	113.1	D711	M709-D711 PolarHBondContact O-N 2.7Å
710	P	37.6	Very low	37.6	Very low	87 Å²	87	111 Å²	111	57%	0.565	59%	0.585	S	S	*	*			trans	-65.3	132.7	179	-22.5	33.5	0	0	0	113.5	K712 V713	P710-K712 PolarHBondContact O-N 3.27Å; P710-V713 HydrophobicContact CB-CG2 4.42Å; P710-V713 PolarHBondContact O-N 2.98Å
711	D	39.6	Very low	38.7	Very low	87 Å²	87	107.3 Å²	107.3	47%	0.465	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-5.8	-170.1	-151.2	37.6	0	0	0	115.6	M709 R714 K715	M709-D711 PolarHBondContact O-N 2.7Å; D711-R714 IonicContact OD1-CZ 2.59Å; D711-R714 VanDerWaalsContact OD1-CZ 3.23Å; D711-R714 IonicContact OD1-NE 2.7Å; D711-R714 PolarHBondContact OD1-NE 3.13Å; D711-R714 IonicContact OD1-NH2 2.76Å; D711-R714 PolarHBondContact OD1-NH2 2.61Å; D711-R714 IonicContact OD2-NH2 3.69Å; D711-K715 WeakPolarHBondContact O-CE 3.44Å; D711-K715 WeakPolarHBondContact O-CG 3.44Å
712	K	41.3	Very low	39.9	Very low	149 Å²	149	105.1 Å²	105.1	65%	0.648	54%	0.54	S	S	*	.	H	α-helix	trans	-83.7	-37.7	170.3	-70.5	-176.3	176.4	179.6	0	113.1	P710 R714 K715 I716	P710-K712 PolarHBondContact O-N 3.27Å; K712-R714 VanDerWaalsContact C-N 3.29Å; K712-R714 PolarHBondContact O-N 2.71Å; K712-K715 PolarHBondContact O-N 3.23Å; K712-K715 VanDerWaalsContact O-N 3.16Å; K712-I716 PolarHBondContact O-N 3.48Å
713	V	37	Very low	40.9	Very low	67 Å²	67	97.9 Å²	97.9	41%	0.406	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-41.2	-178.5	-177.5	0	0	0	0	110.4	P710 K715 I716 G717	P710-V713 HydrophobicContact CB-CG2 4.42Å; P710-V713 PolarHBondContact O-N 2.98Å; V713-K715 VanDerWaalsContact C-N 3.3Å; V713-K715 PolarHBondContact O-N 2.89Å; V713-I716 PolarHBondContact O-N 3.04Å; V713-G717 PolarHBondContact O-N 3.27Å
714	R	46.7	Very low	41.9	Very low	134 Å²	134	93.7 Å²	93.7	51%	0.506	48%	0.48	S	S	.	.	H	α-helix	trans	-53.4	-43	174.7	-172.1	168	64.9	89.4	-16.3	112.8	D711 K712 I716 G717 E718	D711-R714 IonicContact OD1-CZ 2.59Å; D711-R714 VanDerWaalsContact OD1-CZ 3.23Å; D711-R714 IonicContact OD1-NE 2.7Å; D711-R714 PolarHBondContact OD1-NE 3.13Å; D711-R714 IonicContact OD1-NH2 2.76Å; D711-R714 PolarHBondContact OD1-NH2 2.61Å; D711-R714 IonicContact OD2-NH2 3.69Å; K712-R714 VanDerWaalsContact C-N 3.29Å; K712-R714 PolarHBondContact O-N 2.71Å; R714-I716 PolarHBondContact O-N 3.22Å; R714-G717 PolarHBondContact O-N 3.13Å; R714-E718 IonicContact CZ-OE1 3.61Å; R714-E718 IonicContact NH1-OE1 3.64Å; R714-E718 PolarHBondContact NH1-OE1 3.48Å; R714-E718 WeakPolarHBondContact O-CG 3.29Å; R714-E718 PolarHBondContact O-N 3.23Å
715	K	50	Low	43.2	Very low	89 Å²	89	90.1 Å²	90.1	39%	0.387	46%	0.464	S	S	.	.	H	α-helix	trans	-68.8	-33	-177.5	-64.7	175	-172.4	-180	0	113	D711 K712 V713 L719	D711-K715 WeakPolarHBondContact O-CE 3.44Å; D711-K715 WeakPolarHBondContact O-CG 3.44Å; K712-K715 PolarHBondContact O-N 3.23Å; K712-K715 VanDerWaalsContact O-N 3.16Å; V713-K715 VanDerWaalsContact C-N 3.3Å; V713-K715 PolarHBondContact O-N 2.89Å; K715-L719 WeakPolarHBondContact O-CG 3.41Å; K715-L719 PolarHBondContact O-N 2.81Å; K715-L719 VanDerWaalsContact O-N 3.13Å
716	I	48.5	Very low	45.2	Very low	27 Å²	27	86.5 Å²	86.5	14%	0.138	45%	0.445	C	S	.	.	H	α-helix	trans	-67.7	-44.4	172.7	-57.6	178	0	0	0	110.2	K712 V713 R714 E718 L719 V720 N796 E800	K712-I716 PolarHBondContact O-N 3.48Å; V713-I716 PolarHBondContact O-N 3.04Å; R714-I716 PolarHBondContact O-N 3.22Å; I716-E718 VanDerWaalsContact C-N 3.32Å; I716-E718 PolarHBondContact O-N 3.49Å; I716-L719 PolarHBondContact O-N 3.08Å; I716-L719 VanDerWaalsContact O-N 3.13Å; I716-V720 HydrophobicContact CG2-CG2 4.31Å; I716-V720 WeakPolarHBondContact O-CG2 3.27Å; I716-V720 PolarHBondContact O-N 3.41Å; I716-N796 WeakPolarHBondContact CD1-ND2 3.3Å; I716-E800 WeakPolarHBondContact CD1-OE2 3.45Å
717	G	43.6	Very low	47.3	Very low	44 Å²	44	77.8 Å²	77.8	45%	0.454	41%	0.405	S	S	.	.	H	α-helix	trans	-57.5	-42.8	175.3	0	0	0	0	0	112.7	V713 R714 L719 V720 R721	V713-G717 PolarHBondContact O-N 3.27Å; R714-G717 PolarHBondContact O-N 3.13Å; G717-L719 PolarHBondContact O-N 2.89Å; G717-V720 PolarHBondContact O-N 3.07Å; G717-R721 WeakPolarHBondContact O-CB 3.41Å; G717-R721 PolarHBondContact O-N 2.99Å
718	E	52.9	Low	49.9	Very low	54 Å²	54	74.4 Å²	74.4	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-41.5	174.2	-70.5	168	-178.5	0	0	112.3	R714 I716 R721 Y722	R714-E718 IonicContact CZ-OE1 3.61Å; R714-E718 IonicContact NH1-OE1 3.64Å; R714-E718 PolarHBondContact NH1-OE1 3.48Å; R714-E718 WeakPolarHBondContact O-CG 3.29Å; R714-E718 PolarHBondContact O-N 3.23Å; I716-E718 VanDerWaalsContact C-N 3.32Å; I716-E718 PolarHBondContact O-N 3.49Å; E718-R721 WeakPolarHBondContact O-CB 3.49Å; E718-R721 PolarHBondContact O-N 2.86Å; E718-Y722 HydrophobicContact CB-CE2 4.32Å; E718-Y722 WeakPolarHBondContact O-CD2 3.39Å; E718-Y722 VanDerWaalsContact O-CG 3.3Å; E718-Y722 PolarHBondContact O-N 3.01Å
719	L	53.1	Low	52.4	Low	14 Å²	14	67.1 Å²	67.1	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-70.1	-40.8	178.1	-69.4	166.9	0	0	0	113.5	K715 I716 G717 R721 Y722 L723 Y734 L789 I793	K715-L719 WeakPolarHBondContact O-CG 3.41Å; K715-L719 PolarHBondContact O-N 2.81Å; K715-L719 VanDerWaalsContact O-N 3.13Å; I716-L719 PolarHBondContact O-N 3.08Å; I716-L719 VanDerWaalsContact O-N 3.13Å; G717-L719 PolarHBondContact O-N 2.89Å; L719-R721 VanDerWaalsContact C-N 3.33Å; L719-Y722 PolarHBondContact O-N 3.18Å; L719-L723 PolarHBondContact O-N 3.09Å; L719-Y734 HydrophobicContact CD1-CD2 3.69Å; L719-Y734 HydrophobicContact CD1-CE2 3.84Å; L719-Y734 HydrophobicContact CD2-CD2 3.38Å; L719-Y734 HydrophobicContact CD2-CE2 4.33Å; L719-Y734 HydrophobicContact CD2-CG 3.82Å; L719-Y734 HydrophobicContact CG-CD2 4.1Å; L719-L789 HydrophobicContact CD2-CD2 3.82Å; L719-I793 HydrophobicContact CB-CD1 3.9Å; L719-I793 HydrophobicContact CB-CG1 3.95Å; L719-I793 HydrophobicContact CD1-CG1 4.34Å
720	V	51.7	Low	54.7	Low	58 Å²	58	61.2 Å²	61.2	35%	0.352	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-39.1	174.9	173.6	0	0	0	0	110.7	I716 G717 N724 I793	I716-V720 HydrophobicContact CG2-CG2 4.31Å; I716-V720 WeakPolarHBondContact O-CG2 3.27Å; I716-V720 PolarHBondContact O-N 3.41Å; G717-V720 PolarHBondContact O-N 3.07Å; V720-N724 PolarHBondContact O-ND2 2.62Å; V720-I793 HydrophobicContact CG2-CD1 4.11Å
721	R	49.5	Very low	56.6	Low	121 Å²	121	57 Å²	57	46%	0.457	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-46.6	170	177.3	-178.2	72.9	-173.2	2.9	111.5	G717 E718 L719 N724 T725	G717-R721 WeakPolarHBondContact O-CB 3.41Å; G717-R721 PolarHBondContact O-N 2.99Å; E718-R721 WeakPolarHBondContact O-CB 3.49Å; E718-R721 PolarHBondContact O-N 2.86Å; L719-R721 VanDerWaalsContact C-N 3.33Å; R721-N724 PolarHBondContact O-N 2.87Å; R721-T725 PolarHBondContact O-N 2.69Å; R721-T725 VanDerWaalsContact O-N 3.11Å
722	Y	53.1	Low	58.8	Low	45 Å²	45	56.5 Å²	56.5	18%	0.176	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-34.3	-177.9	-64.1	-44	0	0	0	114.6	E718 L719 N724 N726 P727 E733	E718-Y722 HydrophobicContact CB-CE2 4.32Å; E718-Y722 WeakPolarHBondContact O-CD2 3.39Å; E718-Y722 VanDerWaalsContact O-CG 3.3Å; E718-Y722 PolarHBondContact O-N 3.01Å; L719-Y722 PolarHBondContact O-N 3.18Å; Y722-N724 VanDerWaalsContact C-N 3.25Å; Y722-N724 PolarHBondContact O-N 2.72Å; Y722-N726 CarbonylContact O-C 3.6Å; Y722-N726 PolarHBondContact O-N 3.41Å; Y722-P727 WeakPolarHBondContact O-CA 3.45Å; Y722-E733 HydrophobicContact CE2-CB 4.37Å; Y722-E733 HydrophobicContact CE2-CG 4.2Å; Y722-E733 PolarHBondContact OH-OE1 2.85Å
723	L	52.6	Low	60.6	Low	18 Å²	18	52.4 Å²	52.4	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-51.2	-47.1	172.9	-98.3	180	0	0	0	112.1	L719 D786 L789 R790 I793	L719-L723 PolarHBondContact O-N 3.09Å; L723-D786 HydrophobicContact CD2-CB 4.33Å; L723-D786 WeakPolarHBondContact CD2-OD1 3.46Å; L723-L789 HydrophobicContact CD2-CB 3.48Å; L723-L789 VanDerWaalsContact CD2-CB 3.48Å; L723-L789 HydrophobicContact CD2-CD1 3.98Å; L723-L789 HydrophobicContact CD2-CG 4.4Å; L723-L789 HydrophobicContact CG-CB 3.79Å; L723-L789 HydrophobicContact CG-CD1 4.1Å; L723-R790 HydrophobicContact CD1-CG 4.08Å; L723-R790 HydrophobicContact CD2-CG 4.1Å; L723-I793 HydrophobicContact CD1-CD1 3.52Å; L723-I793 HydrophobicContact CG-CD1 4.24Å
724	N	45.9	Very low	62.4	Low	72 Å²	72	50.6 Å²	50.6	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-84.5	-36.9	-171	-65.5	-64.2	0	0	0	112.5	V720 R721 Y722 D1113	V720-N724 PolarHBondContact O-ND2 2.62Å; R721-N724 PolarHBondContact O-N 2.87Å; Y722-N724 VanDerWaalsContact C-N 3.25Å; Y722-N724 PolarHBondContact O-N 2.72Å; N724-D1113 HydrophobicContact CB-CB 3.71Å; N724-D1113 WeakPolarHBondContact CB-OD1 3.49Å
725	T	55.6	Low	63.9	Low	79 Å²	79	44.3 Å²	44.3	49%	0.485	24%	0.236	S	C	.	.	H	α-helix	trans	-84	-48.2	-179.6	-79.2	0	0	0	0	113.9	R721 D1113	R721-T725 PolarHBondContact O-N 2.69Å; R721-T725 VanDerWaalsContact O-N 3.11Å; T725-D1113 WeakPolarHBondContact CA-OD1 3.39Å; T725-D1113 PolarHBondContact N-OD1 3.17Å; T725-D1113 VanDerWaalsContact N-OD1 3.09Å; T725-D1113 PolarHBondContact OG1-OD1 2.85Å; T725-D1113 PolarHBondContact OG1-OD2 2.67Å
726	N	76.2	Confident	65.3	Low	79 Å²	79	47.6 Å²	47.6	42%	0.422	25%	0.246	S	C	.	.			trans	-162.9	88.6	-176.9	176	13.8	0	0	0	111	Y722 V728 G729 G730	Y722-N726 CarbonylContact O-C 3.6Å; Y722-N726 PolarHBondContact O-N 3.41Å; N726-V728 VanDerWaalsContact C-N 3.28Å; N726-V728 PolarHBondContact O-N 2.81Å; N726-V728 PolarHBondContact OD1-N 3.23Å; N726-G729 PolarHBondContact O-N 2.81Å; N726-G729 PolarHBondContact OD1-N 2.84Å; N726-G730 PolarHBondContact O-N 3.46Å
727	P	72.6	Confident	66.2	Low	5 Å²	5	50.5 Å²	50.5	3%	0.032	27%	0.268	C	S	.	.	H	α-helix	trans	-67.8	-27.6	-172.1	25.8	-34.6	0	0	0	112.8	Y722 G730 L731 Q782 A785 D786 L789	Y722-P727 WeakPolarHBondContact O-CA 3.45Å; P727-G730 PolarHBondContact O-N 3.36Å; P727-L731 PolarHBondContact O-N 3.16Å; P727-Q782 HydrophobicContact CG-CG 3.7Å; P727-A785 VanDerWaalsContact C-CB 3.47Å; P727-A785 HydrophobicContact CB-CB 4.04Å; P727-A785 WeakPolarHBondContact O-CB 3.48Å; P727-D786 HydrophobicContact CB-CB 4.11Å; P727-D786 HydrophobicContact CG-CB 4.24Å; P727-L789 HydrophobicContact CB-CD1 3.93Å; P727-L789 WeakPolarHBondContact O-CD1 3.35Å
728	V	83.1	Confident	67.2	Low	34 Å²	34	52 Å²	52	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-46	175.2	-174.5	0	0	0	0	110.6	N726 G730 L732 F744 Q782 A785	N726-V728 VanDerWaalsContact C-N 3.28Å; N726-V728 PolarHBondContact O-N 2.81Å; N726-V728 PolarHBondContact OD1-N 3.23Å; V728-G730 VanDerWaalsContact C-N 3.34Å; V728-L732 HydrophobicContact CG1-CD1 4.06Å; V728-L732 WeakPolarHBondContact O-CB 3.44Å; V728-L732 WeakPolarHBondContact O-CD1 3.42Å; V728-L732 VanDerWaalsContact O-CG 3.27Å; V728-L732 WeakPolarHBondContact O-CG 3.47Å; V728-L732 PolarHBondContact O-N 3.31Å; V728-L732 VanDerWaalsContact O-N 3.16Å; V728-F744 HydrophobicContact CG1-CE2 3.92Å; V728-F744 HydrophobicContact CG1-CZ 4.02Å; V728-Q782 HydrophobicContact CG2-CB 4.11Å; V728-Q782 HydrophobicContact CG2-CG 4.33Å; V728-A785 HydrophobicContact CB-CB 4.4Å; V728-A785 HydrophobicContact CG2-CB 4.01Å
729	G	81.1	Confident	67.8	Low	22 Å²	22	52.9 Å²	52.9	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-43.2	173.1	0	0	0	0	0	111.6	N726 L732 E733	N726-G729 PolarHBondContact O-N 2.81Å; N726-G729 PolarHBondContact OD1-N 2.84Å; G729-L732 PolarHBondContact O-N 3.1Å; G729-E733 WeakPolarHBondContact O-CB 3.37Å; G729-E733 PolarHBondContact O-N 2.95Å
730	G	76.4	Confident	68.9	Low	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-49.1	176.1	0	0	0	0	0	114.4	N726 P727 V728 E733 Y734	N726-G730 PolarHBondContact O-N 3.46Å; P727-G730 PolarHBondContact O-N 3.36Å; V728-G730 VanDerWaalsContact C-N 3.34Å; G730-E733 PolarHBondContact O-N 3.15Å; G730-Y734 WeakPolarHBondContact O-CB 3.18Å; G730-Y734 PolarHBondContact O-N 3.41Å
731	L	79	Confident	69.9	Low	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-39.6	179.9	-163.1	77.3	0	0	0	111.5	P727 E733 A735 F744 A762 V764 A785 A788 L789 L792	P727-L731 PolarHBondContact O-N 3.16Å; L731-E733 VanDerWaalsContact C-N 3.27Å; L731-E733 PolarHBondContact O-N 3.45Å; L731-A735 WeakPolarHBondContact O-CB 3.1Å; L731-A735 PolarHBondContact O-N 3.37Å; L731-F744 HydrophobicContact CD2-CE1 4.13Å; L731-F744 HydrophobicContact CD2-CZ 3.78Å; L731-A762 HydrophobicContact CD2-CB 3.8Å; L731-V764 HydrophobicContact CD1-CG2 3.73Å; L731-V764 HydrophobicContact CD2-CG2 3.71Å; L731-V764 HydrophobicContact CG-CG2 3.66Å; L731-A785 HydrophobicContact CB-CB 4.28Å; L731-A785 HydrophobicContact CD2-CB 4.46Å; L731-A788 HydrophobicContact CD1-CB 3.57Å; L731-A788 HydrophobicContact CD2-CB 3.88Å; L731-A788 HydrophobicContact CG-CB 4.4Å; L731-L789 HydrophobicContact CB-CD2 4.47Å; L731-L789 HydrophobicContact CB-CG 4.27Å; L731-L789 HydrophobicContact CD1-CD2 3.95Å; L731-L789 HydrophobicContact CD1-CG 3.89Å; L731-L792 HydrophobicContact CD1-CD1 3.69Å
732	L	85.3	Confident	71.5	Confident	76 Å²	76	52.8 Å²	52.8	40%	0.398	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-26.9	174.7	-72	166.7	0	0	0	112.9	V728 G729 R736 A742 F744	V728-L732 HydrophobicContact CG1-CD1 4.06Å; V728-L732 WeakPolarHBondContact O-CB 3.44Å; V728-L732 WeakPolarHBondContact O-CD1 3.42Å; V728-L732 VanDerWaalsContact O-CG 3.27Å; V728-L732 WeakPolarHBondContact O-CG 3.47Å; V728-L732 PolarHBondContact O-N 3.31Å; V728-L732 VanDerWaalsContact O-N 3.16Å; G729-L732 PolarHBondContact O-N 3.1Å; L732-R736 WeakPolarHBondContact O-CB 3.44Å; L732-R736 PolarHBondContact O-N 3.48Å; L732-A742 HydrophobicContact CD2-CB 4.18Å; L732-F744 HydrophobicContact CG-CE2 4.45Å
733	E	79.3	Confident	73	Confident	62 Å²	62	54.6 Å²	54.6	29%	0.29	31%	0.312	S	S	.	.	H	α-helix	trans	-86.4	-42.7	177.6	-170.5	145.4	126.1	0	0	112.8	Y722 G729 G730 L731 A735 R736 S737	Y722-E733 HydrophobicContact CE2-CB 4.37Å; Y722-E733 HydrophobicContact CE2-CG 4.2Å; Y722-E733 PolarHBondContact OH-OE1 2.85Å; G729-E733 WeakPolarHBondContact O-CB 3.37Å; G729-E733 PolarHBondContact O-N 2.95Å; G730-E733 PolarHBondContact O-N 3.15Å; L731-E733 VanDerWaalsContact C-N 3.27Å; L731-E733 PolarHBondContact O-N 3.45Å; E733-A735 VanDerWaalsContact C-N 3.31Å; E733-A735 PolarHBondContact O-N 3.23Å; E733-R736 PolarHBondContact O-N 3.15Å; E733-R736 IonicContact OE2-CZ 2.85Å; E733-R736 IonicContact OE2-NH1 3.09Å; E733-R736 PolarHBondContact OE2-NH1 3Å; E733-R736 IonicContact OE2-NH2 2.67Å; E733-R736 PolarHBondContact OE2-NH2 2.72Å; E733-S737 WeakPolarHBondContact O-CB 3.23Å; E733-S737 PolarHBondContact O-N 3.04Å; E733-S737 PolarHBondContact O-OG 3.3Å; E733-S737 VanDerWaalsContact O-OG 3.11Å
734	Y	74.7	Confident	75	Confident	30 Å²	30	55.5 Å²	55.5	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-54.5	-48.8	169.8	177	-98.8	0	0	0	111.2	L719 G730 R736 S737 H738 L792	L719-Y734 HydrophobicContact CD1-CD2 3.69Å; L719-Y734 HydrophobicContact CD1-CE2 3.84Å; L719-Y734 HydrophobicContact CD2-CD2 3.38Å; L719-Y734 HydrophobicContact CD2-CE2 4.33Å; L719-Y734 HydrophobicContact CD2-CG 3.82Å; L719-Y734 HydrophobicContact CG-CD2 4.1Å; G730-Y734 WeakPolarHBondContact O-CB 3.18Å; G730-Y734 PolarHBondContact O-N 3.41Å; Y734-R736 PolarHBondContact O-N 2.94Å; Y734-S737 PolarHBondContact O-N 2.8Å; Y734-S737 PolarHBondContact O-OG 2.93Å; Y734-S737 VanDerWaalsContact O-OG 3.08Å; Y734-H738 AromaticContact CD2-CE1 3.44Å; Y734-H738 VanDerWaalsContact CD2-CE1 3.44Å; Y734-H738 WeakPolarHBondContact CD2-CE1 3.49Å; Y734-H738 AromaticContact CD2-ND1 3.55Å; Y734-H738 AromaticContact CE2-CE1 3.24Å; Y734-H738 WeakPolarHBondContact CE2-CE1 3.37Å; Y734-H738 AromaticContact CE2-ND1 3.54Å; Y734-H738 AromaticContact CE2-NE2 3.6Å; Y734-H738 AromaticContact CZ-CE1 4Å; Y734-H738 AromaticContact CZ-ND1 3.98Å; Y734-H738 WeakPolarHBondContact O-CB 3.08Å; Y734-H738 PolarHBondContact O-N 3.47Å; Y734-H738 VanDerWaalsContact O-N 3.11Å; Y734-H738 PolarHBondContact O-ND1 3.17Å; Y734-L792 HydrophobicContact CD1-CD1 3.68Å; Y734-L792 HydrophobicContact CE1-CB 4.43Å; Y734-L792 HydrophobicContact CE1-CD1 3.57Å; Y734-L792 HydrophobicContact CE1-CD2 3.68Å; Y734-L792 HydrophobicContact CE1-CG 4.09Å
735	A	78.9	Confident	77.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-50.5	178.6	0	0	0	0	0	110.7	L731 E733 S737 H738 G739 F740 A742 V764	L731-A735 WeakPolarHBondContact O-CB 3.1Å; L731-A735 PolarHBondContact O-N 3.37Å; E733-A735 VanDerWaalsContact C-N 3.31Å; E733-A735 PolarHBondContact O-N 3.23Å; A735-S737 PolarHBondContact O-N 3Å; A735-H738 CarbonylContact O-C 3.49Å; A735-H738 PolarHBondContact O-N 3.46Å; A735-H738 VanDerWaalsContact O-N 3.11Å; A735-G739 PolarHBondContact O-N 2.9Å; A735-G739 VanDerWaalsContact O-N 3.12Å; A735-F740 CarbonylContact C-O 3.58Å; A735-F740 HydrophobicContact CB-CB 4.18Å; A735-F740 VanDerWaalsContact CB-O 3.26Å; A735-F740 WeakPolarHBondContact CB-O 3.45Å; A735-F740 PolarHBondContact O-N 3.44Å; A735-F740 VanDerWaalsContact O-O 3.12Å; A735-A742 HydrophobicContact CB-CB 3.61Å; A735-V764 HydrophobicContact CB-CG1 3.66Å
736	R	78.3	Confident	79	Confident	159 Å²	159	56.6 Å²	56.6	60%	0.6	31%	0.312	S	S	*	.	H	α-helix	trans	-57.4	-43.3	177.8	-163.4	-163.8	-39	132	15	112.9	L732 E733 Y734 H738 G739	L732-R736 WeakPolarHBondContact O-CB 3.44Å; L732-R736 PolarHBondContact O-N 3.48Å; E733-R736 PolarHBondContact O-N 3.15Å; E733-R736 IonicContact OE2-CZ 2.85Å; E733-R736 IonicContact OE2-NH1 3.09Å; E733-R736 PolarHBondContact OE2-NH1 3Å; E733-R736 IonicContact OE2-NH2 2.67Å; E733-R736 PolarHBondContact OE2-NH2 2.72Å; Y734-R736 PolarHBondContact O-N 2.94Å; R736-H738 PolarHBondContact O-N 3.2Å; R736-G739 PolarHBondContact O-N 3.45Å
737	S	67.2	Low	79.6	Confident	87 Å²	87	56.4 Å²	56.4	61%	0.608	31%	0.314	S	S	*	.	H	α-helix	trans	-75	-11.5	-179.9	63.4	0	0	0	0	114.3	E733 Y734 A735	E733-S737 WeakPolarHBondContact O-CB 3.23Å; E733-S737 PolarHBondContact O-N 3.04Å; E733-S737 PolarHBondContact O-OG 3.3Å; E733-S737 VanDerWaalsContact O-OG 3.11Å; Y734-S737 PolarHBondContact O-N 2.8Å; Y734-S737 PolarHBondContact O-OG 2.93Å; Y734-S737 VanDerWaalsContact O-OG 3.08Å; A735-S737 PolarHBondContact O-N 3Å
738	H	65.8	Low	80.3	Confident	75 Å²	75	59.5 Å²	59.5	35%	0.347	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.5	175.1	-63.3	71.9	0	0	0	112.5	Y734 A735 R736 F740	Y734-H738 AromaticContact CD2-CE1 3.44Å; Y734-H738 VanDerWaalsContact CD2-CE1 3.44Å; Y734-H738 WeakPolarHBondContact CD2-CE1 3.49Å; Y734-H738 AromaticContact CD2-ND1 3.55Å; Y734-H738 AromaticContact CE2-CE1 3.24Å; Y734-H738 WeakPolarHBondContact CE2-CE1 3.37Å; Y734-H738 AromaticContact CE2-ND1 3.54Å; Y734-H738 AromaticContact CE2-NE2 3.6Å; Y734-H738 AromaticContact CZ-CE1 4Å; Y734-H738 AromaticContact CZ-ND1 3.98Å; Y734-H738 WeakPolarHBondContact O-CB 3.08Å; Y734-H738 PolarHBondContact O-N 3.47Å; Y734-H738 VanDerWaalsContact O-N 3.11Å; Y734-H738 PolarHBondContact O-ND1 3.17Å; A735-H738 CarbonylContact O-C 3.49Å; A735-H738 PolarHBondContact O-N 3.46Å; A735-H738 VanDerWaalsContact O-N 3.11Å; R736-H738 PolarHBondContact O-N 3.2Å; H738-F740 VanDerWaalsContact C-N 3.27Å; H738-F740 HydrophobicContact CB-CD2 3.68Å; H738-F740 HydrophobicContact CB-CE2 3.83Å; H738-F740 PolarHBondContact O-N 2.86Å
739	G	64.3	Low	80.8	Confident	74 Å²	74	63.1 Å²	63.1	76%	0.763	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	12.5	177.2	0	0	0	0	0	115.4	A735 R736	A735-G739 PolarHBondContact O-N 2.9Å; A735-G739 VanDerWaalsContact O-N 3.12Å; R736-G739 PolarHBondContact O-N 3.45Å
740	F	76.2	Confident	81	Confident	101 Å²	101	64.4 Å²	64.4	44%	0.443	35%	0.35	S	S	.	.			trans	-102.4	147.4	-176.2	-60.7	-49	0	0	0	113.1	A735 H738 V764 G765	A735-F740 CarbonylContact C-O 3.58Å; A735-F740 HydrophobicContact CB-CB 4.18Å; A735-F740 VanDerWaalsContact CB-O 3.26Å; A735-F740 WeakPolarHBondContact CB-O 3.45Å; A735-F740 PolarHBondContact O-N 3.44Å; A735-F740 VanDerWaalsContact O-O 3.12Å; H738-F740 VanDerWaalsContact C-N 3.27Å; H738-F740 HydrophobicContact CB-CD2 3.68Å; H738-F740 HydrophobicContact CB-CE2 3.83Å; H738-F740 PolarHBondContact O-N 2.86Å; F740-V764 HydrophobicContact CB-CG1 3.91Å; F740-V764 HydrophobicContact CD2-CG1 4.28Å; F740-V764 HydrophobicContact CG-CG1 4.42Å; F740-G765 VanDerWaalsContact CD1-CA 3.44Å
741	A	73.1	Confident	81.2	Confident	68 Å²	68	66.8 Å²	66.8	56%	0.562	38%	0.375	S	S	*	.			trans	-78.3	146.6	160.3	0	0	0	0	0	110.6	V764 G765	A741-V764 WeakPolarHBondContact O-CA 3.49Å; A741-G765 PolarHBondContact O-N 3.02Å; A741-G765 VanDerWaalsContact O-N 3.08Å
742	A	82.1	Confident	80.8	Confident	21 Å²	21	69.1 Å²	69.1	17%	0.174	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.5	169.5	0	0	0	0	0	111.7	L732 A735 K763 V764	L732-A742 HydrophobicContact CD2-CB 4.18Å; A735-A742 HydrophobicContact CB-CB 3.61Å; A742-K763 CarbonylContact C-O 3.56Å; A742-K763 WeakPolarHBondContact CA-O 3.35Å; A742-V764 HydrophobicContact CB-CG2 4.01Å
743	E	86.1	Confident	80.2	Confident	83 Å²	83	71.9 Å²	71.9	39%	0.388	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.5	-175	-62.2	159.2	-138.4	0	0	110.9	A762 K763	E743-A762 WeakPolarHBondContact O-CA 3.47Å; E743-K763 HydrophobicContact CB-CB 4.21Å; E743-K763 HydrophobicContact CB-CD 4.24Å; E743-K763 VanDerWaalsContact CD-CD 3.46Å; E743-K763 HydrophobicContact CG-CD 4.33Å; E743-K763 PolarHBondContact N-O 2.92Å; E743-K763 PolarHBondContact O-N 3.16Å; E743-K763 IonicContact OE1-NZ 3.21Å; E743-K763 PolarHBondContact OE1-NZ 3.13Å; E743-K763 WeakPolarHBondContact OE2-CD 3.44Å; E743-K763 IonicContact OE2-NZ 2.72Å; E743-K763 PolarHBondContact OE2-NZ 2.89Å
744	F	94.2	Very high	79.7	Confident	38 Å²	38	76.7 Å²	76.7	17%	0.167	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	106.7	175.8	-68.3	-83.7	0	0	0	111.4	V728 L731 L732 Q761 A762 K781 A784 A785	V728-F744 HydrophobicContact CG1-CE2 3.92Å; V728-F744 HydrophobicContact CG1-CZ 4.02Å; L731-F744 HydrophobicContact CD2-CE1 4.13Å; L731-F744 HydrophobicContact CD2-CZ 3.78Å; L732-F744 HydrophobicContact CG-CE2 4.45Å; F744-Q761 WeakPolarHBondContact CA-O 3.38Å; F744-A762 HydrophobicContact CD1-CB 3.98Å; F744-A762 HydrophobicContact CE1-CB 3.77Å; F744-K781 HydrophobicContact CB-CD 4.07Å; F744-K781 HydrophobicContact CB-CG 4Å; F744-K781 HydrophobicContact CD1-CB 4.29Å; F744-K781 HydrophobicContact CD1-CG 4.37Å; F744-K781 WeakPolarHBondContact CE1-O 3.32Å; F744-K781 HydrophobicContact CG-CD 4.42Å; F744-K781 HydrophobicContact CG-CG 4.26Å; F744-A784 HydrophobicContact CD1-CB 4.27Å; F744-A784 HydrophobicContact CE1-CB 4.37Å; F744-A785 HydrophobicContact CE1-CB 3.75Å; F744-A785 HydrophobicContact CZ-CB 3.78Å
745	K	93.4	Very high	79.3	Confident	117 Å²	117	79.3 Å²	79.3	51%	0.509	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.3	-179.4	-172.6	171.7	179.6	-177.7	0	111.2	Y760 Q761 W768	K745-Y760 WeakPolarHBondContact O-CA 3.42Å; K745-Y760 WeakPolarHBondContact O-CD1 3.23Å; K745-Q761 PolarHBondContact N-O 2.91Å; K745-Q761 PolarHBondContact O-N 2.81Å; K745-W768 HydrophobicContact CB-CH2 3.66Å; K745-W768 HydrophobicContact CB-CZ3 3.57Å; K745-W768 HydrophobicContact CD-CH2 3.68Å; K745-W768 HydrophobicContact CD-CZ2 4.3Å; K745-W768 HydrophobicContact CD-CZ3 4.2Å; K745-W768 HydrophobicContact CG-CH2 4.29Å
746	L	92	Very high	79.2	Confident	56 Å²	56	81.1 Å²	81.1	29%	0.293	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.2	161.4	178.9	68.6	0	0	0	106.8	D748 Q749 F758 Y760	L746-D748 VanDerWaalsContact CD1-O 3.25Å; L746-D748 WeakPolarHBondContact CD1-O 3.26Å; L746-Q749 HydrophobicContact CD2-CB 4.49Å; L746-F758 HydrophobicContact CD1-CB 3.97Å; L746-F758 HydrophobicContact CD1-CD1 4.27Å; L746-Y760 HydrophobicContact CB-CE1 3.99Å; L746-Y760 HydrophobicContact CB-CE2 4.34Å; L746-Y760 HydrophobicContact CD1-CD2 3.98Å; L746-Y760 HydrophobicContact CD1-CE2 3.48Å; L746-Y760 VanDerWaalsContact CD1-CE2 3.48Å; L746-Y760 HydrophobicContact CG-CE2 4.47Å
747	V	87.9	Confident	79.2	Confident	76 Å²	76	77.1 Å²	77.1	46%	0.461	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-40.7	-175.7	-179	0	0	0	0	111.2	V759 Q761	V747-V759 HydrophobicContact CB-CB 4.34Å; V747-V759 HydrophobicContact CB-CG1 4.16Å; V747-V759 PolarHBondContact N-O 3.35Å; V747-Q761 HydrophobicContact CG2-CB 3.65Å
748	D	88.7	Confident	80.3	Confident	69 Å²	69	74 Å²	74	37%	0.369	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.5	175.5	167	56	0	0	0	110.4	L746 S750 V759	L746-D748 VanDerWaalsContact CD1-O 3.25Å; L746-D748 WeakPolarHBondContact CD1-O 3.26Å; D748-S750 VanDerWaalsContact OD2-CB 3.29Å; D748-S750 WeakPolarHBondContact OD2-CB 3.17Å; D748-S750 PolarHBondContact OD2-OG 2.83Å; D748-V759 HydrophobicContact CB-CB 3.93Å; D748-V759 HydrophobicContact CB-CG2 3.74Å; D748-V759 PolarHBondContact O-N 2.68Å
749	Q	92.2	Very high	81.3	Confident	110 Å²	110	71.5 Å²	71.5	51%	0.514	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	109	167.9	178.4	-178.5	-48.1	0	0	109.3	L746 K757 F758	L746-Q749 HydrophobicContact CD2-CB 4.49Å; Q749-K757 CarbonylContact C-O 3.49Å; Q749-K757 WeakPolarHBondContact CA-O 3.49Å; Q749-F758 HydrophobicContact CB-CD1 4.23Å; Q749-F758 VanDerWaalsContact CD-CE1 3.49Å; Q749-F758 HydrophobicContact CG-CD1 3.66Å; Q749-F758 HydrophobicContact CG-CE1 3.63Å
750	S	86.2	Confident	82.6	Confident	49 Å²	49	68.7 Å²	68.7	34%	0.343	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	177.4	-171.4	52.3	0	0	0	0	112.1	D748 K757	D748-S750 VanDerWaalsContact OD2-CB 3.29Å; D748-S750 WeakPolarHBondContact OD2-CB 3.17Å; D748-S750 PolarHBondContact OD2-OG 2.83Å; S750-K757 PolarHBondContact N-O 2.95Å; S750-K757 PolarHBondContact O-N 2.86Å
751	G	80.9	Confident	83.1	Confident	50 Å²	50	66 Å²	66	52%	0.515	37%	0.367	S	S	.	.	S	Bend	trans	84.1	164.1	-179.5	0	0	0	0	0	115
752	P	70.4	Confident	83.8	Confident	49 Å²	49	62.8 Å²	62.8	32%	0.318	34%	0.34	S	S	.	.			trans	-74	160.9	-176.8	32	-36.1	0	0	0	112	H754 E755 P756	P752-H754 WeakPolarHBondContact CG-NE2 3.5Å; P752-H754 PolarHBondContact O-N 3.25Å; P752-E755 HydrophobicContact CG-CB 4.06Å; P752-E755 CarbonylContact O-C 3.57Å; P752-E755 PolarHBondContact O-N 2.77Å; P752-P756 VanDerWaalsContact O-N 3.14Å
753	P	72.5	Confident	83.9	Confident	134 Å²	134	63.7 Å²	63.7	87%	0.87	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.7	-177.4	-27.8	36	0	0	0	116.2
754	H	69.4	Low	83.5	Confident	164 Å²	164	60 Å²	60	76%	0.759	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.7	175.9	56.9	-103.8	0	0	0	114.1	P752	P752-H754 WeakPolarHBondContact CG-NE2 3.5Å; P752-H754 PolarHBondContact O-N 3.25Å
755	E	65.1	Low	82.2	Confident	85 Å²	85	60.1 Å²	60.1	40%	0.397	34%	0.335	S	S	.	.	S	Bend	trans	-140.9	59.9	173.2	-163.4	-150.5	146	0	0	110.6	P752 K757	P752-E755 HydrophobicContact CG-CB 4.06Å; P752-E755 CarbonylContact O-C 3.57Å; P752-E755 PolarHBondContact O-N 2.77Å; E755-K757 WeakPolarHBondContact OE1-CE 3.35Å; E755-K757 IonicContact OE1-NZ 2.86Å; E755-K757 PolarHBondContact OE1-NZ 3.22Å; E755-K757 IonicContact OE2-NZ 2.77Å
756	P	77.6	Confident	80.8	Confident	38 Å²	38	57 Å²	57	25%	0.247	34%	0.336	C	S	.	.			trans	-68.1	148.1	-178.2	30.6	-36.6	0	0	0	111.1	P752 F758 H775	P752-P756 VanDerWaalsContact O-N 3.14Å; P756-F758 HydrophobicContact CB-CE2 3.72Å; P756-F758 HydrophobicContact CB-CZ 3.78Å; P756-F758 HydrophobicContact CG-CE2 3.9Å; P756-F758 HydrophobicContact CG-CZ 4.2Å; P756-H775 WeakPolarHBondContact O-CA 3.28Å; P756-H775 PolarHBondContact O-ND1 3Å
757	K	78.7	Confident	79.8	Confident	76 Å²	76	59.8 Å²	59.8	33%	0.33	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.1	178.6	-70.5	165.8	-177.9	159.1	0	108	Q749 S750 E755	Q749-K757 CarbonylContact C-O 3.49Å; Q749-K757 WeakPolarHBondContact CA-O 3.49Å; S750-K757 PolarHBondContact N-O 2.95Å; S750-K757 PolarHBondContact O-N 2.86Å; E755-K757 WeakPolarHBondContact OE1-CE 3.35Å; E755-K757 IonicContact OE1-NZ 2.86Å; E755-K757 PolarHBondContact OE1-NZ 3.22Å; E755-K757 IonicContact OE2-NZ 2.77Å
758	F	89.3	Confident	79.3	Confident	22 Å²	22	61 Å²	61	10%	0.096	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.5	178.9	-52.9	-85.1	0	0	0	108	L746 Q749 P756 Y760 A774 S776 K777	L746-F758 HydrophobicContact CD1-CB 3.97Å; L746-F758 HydrophobicContact CD1-CD1 4.27Å; Q749-F758 HydrophobicContact CB-CD1 4.23Å; Q749-F758 VanDerWaalsContact CD-CE1 3.49Å; Q749-F758 HydrophobicContact CG-CD1 3.66Å; Q749-F758 HydrophobicContact CG-CE1 3.63Å; P756-F758 HydrophobicContact CB-CE2 3.72Å; P756-F758 HydrophobicContact CB-CZ 3.78Å; P756-F758 HydrophobicContact CG-CE2 3.9Å; P756-F758 HydrophobicContact CG-CZ 4.2Å; F758-Y760 HydrophobicContact CB-CD2 4.13Å; F758-Y760 HydrophobicContact CB-CE2 4.07Å; F758-A774 WeakPolarHBondContact CD2-O 3.39Å; F758-A774 PolarHBondContact N-O 2.98Å; F758-A774 PolarHBondContact O-N 3.4Å; F758-S776 VanDerWaalsContact CD2-CA 3.46Å; F758-K777 HydrophobicContact CB-CG 4.5Å; F758-K777 HydrophobicContact CD1-CD 4.12Å; F758-K777 VanDerWaalsContact CD1-CE 3.4Å; F758-K777 HydrophobicContact CD1-CG 3.5Å; F758-K777 VanDerWaalsContact CD1-CG 3.5Å; F758-K777 HydrophobicContact CD2-CG 4.37Å; F758-K777 HydrophobicContact CE1-CD 4.11Å; F758-K777 HydrophobicContact CE1-CG 3.67Å; F758-K777 HydrophobicContact CG-CG 3.87Å; F758-K777 HydrophobicContact CZ-CG 4.19Å
759	V	86.7	Confident	78.8	Confident	21 Å²	21	58 Å²	58	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.8	176.1	-172.4	0	0	0	0	108.3	V747 D748 A771 V772	V747-V759 HydrophobicContact CB-CB 4.34Å; V747-V759 HydrophobicContact CB-CG1 4.16Å; V747-V759 PolarHBondContact N-O 3.35Å; D748-V759 HydrophobicContact CB-CB 3.93Å; D748-V759 HydrophobicContact CB-CG2 3.74Å; D748-V759 PolarHBondContact O-N 2.68Å; V759-A771 HydrophobicContact CG1-CB 3.95Å; V759-V772 CarbonylContact C-O 3.5Å; V759-V772 VanDerWaalsContact CA-O 3.28Å; V759-V772 WeakPolarHBondContact CA-O 3.13Å
760	Y	90.9	Very high	77.7	Confident	16 Å²	16	56.3 Å²	56.3	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.4	-179.5	-95.6	-83.3	0	0	0	111.6	K745 L746 F758 A771 V772 K777 G780 K781	K745-Y760 WeakPolarHBondContact O-CA 3.42Å; K745-Y760 WeakPolarHBondContact O-CD1 3.23Å; L746-Y760 HydrophobicContact CB-CE1 3.99Å; L746-Y760 HydrophobicContact CB-CE2 4.34Å; L746-Y760 HydrophobicContact CD1-CD2 3.98Å; L746-Y760 HydrophobicContact CD1-CE2 3.48Å; L746-Y760 VanDerWaalsContact CD1-CE2 3.48Å; L746-Y760 HydrophobicContact CG-CE2 4.47Å; F758-Y760 HydrophobicContact CB-CD2 4.13Å; F758-Y760 HydrophobicContact CB-CE2 4.07Å; Y760-A771 CarbonylContact O-C 3.44Å; Y760-A771 VanDerWaalsContact O-CA 3.32Å; Y760-A771 WeakPolarHBondContact O-CA 3.42Å; Y760-V772 PolarHBondContact N-O 3.03Å; Y760-V772 PolarHBondContact O-N 3.48Å; Y760-K777 HydrophobicContact CE2-CB 3.88Å; Y760-K777 HydrophobicContact CE2-CG 4.04Å; Y760-G780 VanDerWaalsContact CB-C 3.41Å; Y760-G780 WeakPolarHBondContact CB-O 3.16Å; Y760-K781 HydrophobicContact CD1-CG 3.64Å; Y760-K781 HydrophobicContact CE1-CD 4.22Å; Y760-K781 HydrophobicContact CE1-CG 3.57Å; Y760-K781 HydrophobicContact CG-CG 4.27Å
761	Q	87.1	Confident	77	Confident	45 Å²	45	56 Å²	56	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.2	177.2	-158.7	176.7	17	0	0	109.9	F744 K745 V747 W768 F769 A771	F744-Q761 WeakPolarHBondContact CA-O 3.38Å; K745-Q761 PolarHBondContact N-O 2.91Å; K745-Q761 PolarHBondContact O-N 2.81Å; V747-Q761 HydrophobicContact CG2-CB 3.65Å; Q761-W768 HydrophobicContact CB-CE3 4.19Å; Q761-W768 HydrophobicContact CB-CZ3 4.43Å; Q761-W768 HydrophobicContact CG-CE3 3.87Å; Q761-F769 WeakPolarHBondContact CG-O 3.43Å; Q761-F769 PolarHBondContact NE2-O 2.87Å; Q761-A771 HydrophobicContact CB-CB 4.19Å; Q761-A771 HydrophobicContact CG-CB 4.11Å
762	A	88.1	Confident	76.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	151.3	172.9	0	0	0	0	0	110.3	L731 E743 F744 F769 A784 A788	L731-A762 HydrophobicContact CD2-CB 3.8Å; E743-A762 WeakPolarHBondContact O-CA 3.47Å; F744-A762 HydrophobicContact CD1-CB 3.98Å; F744-A762 HydrophobicContact CE1-CB 3.77Å; A762-F769 PolarHBondContact O-N 2.87Å; A762-A784 HydrophobicContact CB-CB 4.06Å; A762-A784 WeakPolarHBondContact CB-O 3.37Å; A762-A788 HydrophobicContact CB-CB 4.01Å
763	K	83.9	Confident	76.6	Confident	39 Å²	39	56.1 Å²	56.1	17%	0.17	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.2	173.7	-174.8	-157.3	-175.9	-168.4	0	108.3	A742 E743 G766 R767 W768	A742-K763 CarbonylContact C-O 3.56Å; A742-K763 WeakPolarHBondContact CA-O 3.35Å; E743-K763 HydrophobicContact CB-CB 4.21Å; E743-K763 HydrophobicContact CB-CD 4.24Å; E743-K763 VanDerWaalsContact CD-CD 3.46Å; E743-K763 HydrophobicContact CG-CD 4.33Å; E743-K763 PolarHBondContact N-O 2.92Å; E743-K763 PolarHBondContact O-N 3.16Å; E743-K763 IonicContact OE1-NZ 3.21Å; E743-K763 PolarHBondContact OE1-NZ 3.13Å; E743-K763 WeakPolarHBondContact OE2-CD 3.44Å; E743-K763 IonicContact OE2-NZ 2.72Å; E743-K763 PolarHBondContact OE2-NZ 2.89Å; K763-G766 WeakPolarHBondContact CE-O 3.32Å; K763-R767 CarbonylContact C-O 3.5Å; K763-R767 WeakPolarHBondContact CA-O 3.4Å; K763-R767 WeakPolarHBondContact CG-O 3.26Å; K763-W768 HydrophobicContact CB-CD2 3.95Å; K763-W768 HydrophobicContact CB-CE3 3.64Å; K763-W768 HydrophobicContact CB-CH2 4.11Å; K763-W768 HydrophobicContact CB-CZ2 4.43Å; K763-W768 HydrophobicContact CB-CZ3 3.72Å; K763-W768 HydrophobicContact CD-CD2 4.43Å; K763-W768 HydrophobicContact CD-CH2 4.05Å; K763-W768 HydrophobicContact CD-CZ2 3.82Å; K763-W768 HydrophobicContact CD-CZ3 4.48Å; K763-W768 HydrophobicContact CG-CD2 4.01Å; K763-W768 HydrophobicContact CG-CE3 4.22Å; K763-W768 HydrophobicContact CG-CG 4.41Å; K763-W768 HydrophobicContact CG-CH2 4.47Å; K763-W768 HydrophobicContact CG-CZ2 4.31Å; K763-W768 HydrophobicContact CG-CZ3 4.44Å
764	V	78.3	Confident	77	Confident	7 Å²	7	50 Å²	50	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132	172.9	-172.4	0	0	0	0	108.5	L731 A735 F740 A741 A742 G766 R767 F769	L731-V764 HydrophobicContact CD1-CG2 3.73Å; L731-V764 HydrophobicContact CD2-CG2 3.71Å; L731-V764 HydrophobicContact CG-CG2 3.66Å; A735-V764 HydrophobicContact CB-CG1 3.66Å; F740-V764 HydrophobicContact CB-CG1 3.91Å; F740-V764 HydrophobicContact CD2-CG1 4.28Å; F740-V764 HydrophobicContact CG-CG1 4.42Å; A741-V764 WeakPolarHBondContact O-CA 3.49Å; A742-V764 HydrophobicContact CB-CG2 4.01Å; V764-G766 VanDerWaalsContact C-N 3.29Å; V764-G766 PolarHBondContact O-N 2.93Å; V764-R767 PolarHBondContact N-O 3.03Å; V764-R767 WeakPolarHBondContact O-CB 3.42Å; V764-R767 PolarHBondContact O-N 3.06Å; V764-F769 HydrophobicContact CB-CE2 3.75Å; V764-F769 HydrophobicContact CB-CZ 4.39Å; V764-F769 HydrophobicContact CG2-CD2 4.37Å; V764-F769 HydrophobicContact CG2-CE2 3.86Å
765	G	67.9	Low	77.3	Confident	39 Å²	39	48 Å²	48	40%	0.402	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	39.8	175	0	0	0	0	0	113.1	F740 A741 R767	F740-G765 VanDerWaalsContact CD1-CA 3.44Å; A741-G765 PolarHBondContact O-N 3.02Å; A741-G765 VanDerWaalsContact O-N 3.08Å; G765-R767 PolarHBondContact O-N 3.45Å; G765-R767 VanDerWaalsContact O-N 3.15Å
766	G	62.9	Low	78.3	Confident	52 Å²	52	46.2 Å²	46.2	54%	0.536	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-32.5	-174.5	0	0	0	0	0	114.8	K763 V764	K763-G766 WeakPolarHBondContact CE-O 3.32Å; V764-G766 VanDerWaalsContact C-N 3.29Å; V764-G766 PolarHBondContact O-N 2.93Å
767	R	71.4	Confident	78.8	Confident	115 Å²	115	48.7 Å²	48.7	43%	0.434	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.2	-176.2	178.4	179.8	176.6	-165.1	0.6	112.8	K763 V764 G765 F769 E795	K763-R767 CarbonylContact C-O 3.5Å; K763-R767 WeakPolarHBondContact CA-O 3.4Å; K763-R767 WeakPolarHBondContact CG-O 3.26Å; V764-R767 PolarHBondContact N-O 3.03Å; V764-R767 WeakPolarHBondContact O-CB 3.42Å; V764-R767 PolarHBondContact O-N 3.06Å; G765-R767 PolarHBondContact O-N 3.45Å; G765-R767 VanDerWaalsContact O-N 3.15Å; R767-F769 HydrophobicContact CB-CE2 4.42Å; R767-F769 HydrophobicContact CG-CE2 4.25Å; R767-F769 HydrophobicContact CG-CZ 4.4Å; R767-F769 WeakPolarHBondContact O-CE2 3.26Å; R767-E795 IonicContact CZ-OE1 2.78Å; R767-E795 IonicContact CZ-OE2 2.77Å; R767-E795 IonicContact NH1-OE1 2.65Å; R767-E795 PolarHBondContact NH1-OE1 3.08Å; R767-E795 IonicContact NH1-OE2 2.63Å; R767-E795 PolarHBondContact NH1-OE2 3.04Å; R767-E795 IonicContact NH2-OE1 3.27Å; R767-E795 PolarHBondContact NH2-OE1 3.02Å; R767-E795 IonicContact NH2-OE2 2.62Å
768	W	77.1	Confident	79.1	Confident	101 Å²	101	53 Å²	53	38%	0.383	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.2	168.3	-65.1	97.1	0	0	0	111.8	K745 Q761 K763	K745-W768 HydrophobicContact CB-CH2 3.66Å; K745-W768 HydrophobicContact CB-CZ3 3.57Å; K745-W768 HydrophobicContact CD-CH2 3.68Å; K745-W768 HydrophobicContact CD-CZ2 4.3Å; K745-W768 HydrophobicContact CD-CZ3 4.2Å; K745-W768 HydrophobicContact CG-CH2 4.29Å; Q761-W768 HydrophobicContact CB-CE3 4.19Å; Q761-W768 HydrophobicContact CB-CZ3 4.43Å; Q761-W768 HydrophobicContact CG-CE3 3.87Å; K763-W768 HydrophobicContact CB-CD2 3.95Å; K763-W768 HydrophobicContact CB-CE3 3.64Å; K763-W768 HydrophobicContact CB-CH2 4.11Å; K763-W768 HydrophobicContact CB-CZ2 4.43Å; K763-W768 HydrophobicContact CB-CZ3 3.72Å; K763-W768 HydrophobicContact CD-CD2 4.43Å; K763-W768 HydrophobicContact CD-CH2 4.05Å; K763-W768 HydrophobicContact CD-CZ2 3.82Å; K763-W768 HydrophobicContact CD-CZ3 4.48Å; K763-W768 HydrophobicContact CG-CD2 4.01Å; K763-W768 HydrophobicContact CG-CE3 4.22Å; K763-W768 HydrophobicContact CG-CG 4.41Å; K763-W768 HydrophobicContact CG-CH2 4.47Å; K763-W768 HydrophobicContact CG-CZ2 4.31Å; K763-W768 HydrophobicContact CG-CZ3 4.44Å
769	F	78	Confident	78.4	Confident	7 Å²	7	55.7 Å²	55.7	3%	0.031	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-99.9	173	175.9	-70.2	-92.4	0	0	0	110.4	Q761 A762 V764 R767 A771 A788 V791 L792	Q761-F769 WeakPolarHBondContact CG-O 3.43Å; Q761-F769 PolarHBondContact NE2-O 2.87Å; A762-F769 PolarHBondContact O-N 2.87Å; V764-F769 HydrophobicContact CB-CE2 3.75Å; V764-F769 HydrophobicContact CB-CZ 4.39Å; V764-F769 HydrophobicContact CG2-CD2 4.37Å; V764-F769 HydrophobicContact CG2-CE2 3.86Å; R767-F769 HydrophobicContact CB-CE2 4.42Å; R767-F769 HydrophobicContact CG-CE2 4.25Å; R767-F769 HydrophobicContact CG-CZ 4.4Å; R767-F769 WeakPolarHBondContact O-CE2 3.26Å; F769-A771 PolarHBondContact O-N 2.81Å; F769-A788 HydrophobicContact CB-CB 3.78Å; F769-A788 HydrophobicContact CD1-CB 3.74Å; F769-A788 HydrophobicContact CD2-CB 3.99Å; F769-A788 HydrophobicContact CE1-CB 4.38Å; F769-A788 HydrophobicContact CG-CB 3.52Å; F769-V791 HydrophobicContact CD1-CB 4.03Å; F769-V791 HydrophobicContact CD1-CG1 4.05Å; F769-V791 HydrophobicContact CE1-CB 4.1Å; F769-V791 HydrophobicContact CE1-CG1 3.85Å; F769-L792 HydrophobicContact CE1-CD1 4.31Å; F769-L792 HydrophobicContact CE1-CD2 4.08Å; F769-L792 HydrophobicContact CE1-CG 3.85Å; F769-L792 HydrophobicContact CZ-CD1 4.14Å; F769-L792 HydrophobicContact CZ-CD2 3.82Å; F769-L792 HydrophobicContact CZ-CG 3.95Å
770	P	70.1	Confident	78	Confident	74 Å²	74	54.7 Å²	54.7	48%	0.481	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-56.4	139.9	179.6	-27.3	36.8	0	0	0	113
771	A	70.7	Confident	77.9	Confident	43 Å²	43	58 Å²	58	36%	0.355	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-79.6	144.8	174	0	0	0	0	0	111	V759 Y760 Q761 F769	V759-A771 HydrophobicContact CG1-CB 3.95Å; Y760-A771 CarbonylContact O-C 3.44Å; Y760-A771 VanDerWaalsContact O-CA 3.32Å; Y760-A771 WeakPolarHBondContact O-CA 3.42Å; Q761-A771 HydrophobicContact CB-CB 4.19Å; Q761-A771 HydrophobicContact CG-CB 4.11Å; F769-A771 PolarHBondContact O-N 2.81Å
772	V	71	Confident	77.6	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.6	-176.6	-59.6	0	0	0	0	111.4	V759 Y760 E783 A784 A787 L864	V759-V772 CarbonylContact C-O 3.5Å; V759-V772 VanDerWaalsContact CA-O 3.28Å; V759-V772 WeakPolarHBondContact CA-O 3.13Å; Y760-V772 PolarHBondContact N-O 3.03Å; Y760-V772 PolarHBondContact O-N 3.48Å; V772-E783 HydrophobicContact CB-CB 4.31Å; V772-E783 HydrophobicContact CG2-CB 3.77Å; V772-A784 HydrophobicContact CG2-CB 3.89Å; V772-A787 HydrophobicContact CG1-CB 4.16Å; V772-L864 HydrophobicContact CG1-CD1 3.98Å
773	C	71.2	Confident	77	Confident	97 Å²	97	61.3 Å²	61.3	66%	0.655	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.4	-177.2	-54	0	0	0	0	110.8
774	A	80.9	Confident	76.7	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.1	-176.3	0	0	0	0	0	113.2	F758 S776 Q779 G780	F758-A774 WeakPolarHBondContact CD2-O 3.39Å; F758-A774 PolarHBondContact N-O 2.98Å; F758-A774 PolarHBondContact O-N 3.4Å; A774-S776 VanDerWaalsContact C-N 3.32Å; A774-S776 PolarHBondContact O-N 3.25Å; A774-Q779 HydrophobicContact CB-CB 3.99Å; A774-Q779 HydrophobicContact CB-CG 3.91Å; A774-G780 VanDerWaalsContact CB-CA 3.5Å
775	H	77.1	Confident	76.8	Confident	122 Å²	122	59.1 Å²	59.1	57%	0.565	32%	0.315	S	S	*	.	S	Bend	trans	-84.1	4.1	-178.5	-58.8	-68.2	0	0	0	115.2	P756	P756-H775 WeakPolarHBondContact O-CA 3.28Å; P756-H775 PolarHBondContact O-ND1 3Å
776	S	85.1	Confident	77	Confident	48 Å²	48	58.9 Å²	58.9	34%	0.336	31%	0.305	S	S	.	.	S	Bend	trans	-151.2	153.1	168.5	75.3	0	0	0	0	111.8	F758 A774 K778 Q779 G780	F758-S776 VanDerWaalsContact CD2-CA 3.46Å; A774-S776 VanDerWaalsContact C-N 3.32Å; A774-S776 PolarHBondContact O-N 3.25Å; S776-K778 PolarHBondContact O-N 2.98Å; S776-Q779 PolarHBondContact O-N 3.15Å; S776-Q779 VanDerWaalsContact O-N 3.14Å; S776-Q779 VanDerWaalsContact OG-CB 3.29Å; S776-Q779 WeakPolarHBondContact OG-CB 3.47Å; S776-Q779 PolarHBondContact OG-N 3.37Å; S776-Q779 VanDerWaalsContact OG-N 3.1Å; S776-G780 PolarHBondContact O-N 2.75Å
777	K	87.6	Confident	77	Confident	91 Å²	91	57 Å²	57	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-26.4	177.3	-60.2	-167.5	179.9	-171.4	0	113.6	F758 Y760 K781	F758-K777 HydrophobicContact CB-CG 4.5Å; F758-K777 HydrophobicContact CD1-CD 4.12Å; F758-K777 VanDerWaalsContact CD1-CE 3.4Å; F758-K777 HydrophobicContact CD1-CG 3.5Å; F758-K777 VanDerWaalsContact CD1-CG 3.5Å; F758-K777 HydrophobicContact CD2-CG 4.37Å; F758-K777 HydrophobicContact CE1-CD 4.11Å; F758-K777 HydrophobicContact CE1-CG 3.67Å; F758-K777 HydrophobicContact CG-CG 3.87Å; F758-K777 HydrophobicContact CZ-CG 4.19Å; Y760-K777 HydrophobicContact CE2-CB 3.88Å; Y760-K777 HydrophobicContact CE2-CG 4.04Å; K777-K781 WeakPolarHBondContact O-CG 3.37Å; K777-K781 PolarHBondContact O-N 2.86Å
778	K	85.7	Confident	77	Confident	167 Å²	167	51.5 Å²	51.5	73%	0.726	26%	0.263	S	S	*	.	H	α-helix	trans	-73.5	-47	173.2	-173.7	177.8	179.2	178.7	0	111.4	S776 K781 Q782	S776-K778 PolarHBondContact O-N 2.98Å; K778-K781 PolarHBondContact O-N 3.4Å; K778-Q782 PolarHBondContact O-N 2.97Å; K778-Q782 VanDerWaalsContact O-N 3.17Å
779	Q	75.4	Confident	76.5	Confident	78 Å²	78	46.7 Å²	46.7	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-43.6	179.3	-171.7	67.6	18.2	0	0	111.4	A774 S776 K781 Q782 E783	A774-Q779 HydrophobicContact CB-CB 3.99Å; A774-Q779 HydrophobicContact CB-CG 3.91Å; S776-Q779 PolarHBondContact O-N 3.15Å; S776-Q779 VanDerWaalsContact O-N 3.14Å; S776-Q779 VanDerWaalsContact OG-CB 3.29Å; S776-Q779 WeakPolarHBondContact OG-CB 3.47Å; S776-Q779 PolarHBondContact OG-N 3.37Å; S776-Q779 VanDerWaalsContact OG-N 3.1Å; Q779-K781 PolarHBondContact O-N 3.47Å; Q779-Q782 WeakPolarHBondContact O-CA 3.49Å; Q779-Q782 WeakPolarHBondContact O-CB 3.25Å; Q779-Q782 PolarHBondContact O-N 3.29Å; Q779-E783 HydrophobicContact CG-CG 4.33Å; Q779-E783 WeakPolarHBondContact CG-OE1 3.33Å; Q779-E783 PolarHBondContact NE2-OE1 2.82Å; Q779-E783 PolarHBondContact O-N 3.03Å
780	G	78.5	Confident	75.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-41	179.4	0	0	0	0	0	113.2	Y760 A774 S776 Q782 A784	Y760-G780 VanDerWaalsContact CB-C 3.41Å; Y760-G780 WeakPolarHBondContact CB-O 3.16Å; A774-G780 VanDerWaalsContact CB-CA 3.5Å; S776-G780 PolarHBondContact O-N 2.75Å; G780-Q782 VanDerWaalsContact C-N 3.33Å; G780-Q782 PolarHBondContact O-N 2.85Å; G780-A784 WeakPolarHBondContact O-CB 3.2Å; G780-A784 PolarHBondContact O-N 2.75Å
781	K	87.4	Confident	75.6	Confident	85 Å²	85	49.1 Å²	49.1	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-39.2	171.6	-71.3	-170.4	175.2	-168.6	0	112.5	F744 Y760 K777 K778 Q779 A785	F744-K781 HydrophobicContact CB-CD 4.07Å; F744-K781 HydrophobicContact CB-CG 4Å; F744-K781 HydrophobicContact CD1-CB 4.29Å; F744-K781 HydrophobicContact CD1-CG 4.37Å; F744-K781 WeakPolarHBondContact CE1-O 3.32Å; F744-K781 HydrophobicContact CG-CD 4.42Å; F744-K781 HydrophobicContact CG-CG 4.26Å; Y760-K781 HydrophobicContact CD1-CG 3.64Å; Y760-K781 HydrophobicContact CE1-CD 4.22Å; Y760-K781 HydrophobicContact CE1-CG 3.57Å; Y760-K781 HydrophobicContact CG-CG 4.27Å; K777-K781 WeakPolarHBondContact O-CG 3.37Å; K777-K781 PolarHBondContact O-N 2.86Å; K778-K781 PolarHBondContact O-N 3.4Å; Q779-K781 PolarHBondContact O-N 3.47Å; K781-A785 WeakPolarHBondContact O-CB 3.39Å; K781-A785 PolarHBondContact O-N 2.86Å; K781-A785 VanDerWaalsContact O-N 3.11Å
782	Q	82.1	Confident	75.3	Confident	72 Å²	72	47.7 Å²	47.7	34%	0.336	24%	0.236	S	C	.	.	H	α-helix	trans	-69.4	-41.7	-179.7	-168.1	173.4	-19.7	0	0	112.6	P727 V728 K778 Q779 G780 A785 D786	P727-Q782 HydrophobicContact CG-CG 3.7Å; V728-Q782 HydrophobicContact CG2-CB 4.11Å; V728-Q782 HydrophobicContact CG2-CG 4.33Å; K778-Q782 PolarHBondContact O-N 2.97Å; K778-Q782 VanDerWaalsContact O-N 3.17Å; Q779-Q782 WeakPolarHBondContact O-CA 3.49Å; Q779-Q782 WeakPolarHBondContact O-CB 3.25Å; Q779-Q782 PolarHBondContact O-N 3.29Å; G780-Q782 VanDerWaalsContact C-N 3.33Å; G780-Q782 PolarHBondContact O-N 2.85Å; Q782-A785 PolarHBondContact O-N 2.86Å; Q782-D786 PolarHBondContact O-N 2.72Å; Q782-D786 VanDerWaalsContact O-N 3.07Å
783	E	74.1	Confident	74.9	Confident	42 Å²	42	48.3 Å²	48.3	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-71.7	-35.6	176.2	-70.9	175.1	-177.9	0	0	112	V772 Q779 A785 D786 A787	V772-E783 HydrophobicContact CB-CB 4.31Å; V772-E783 HydrophobicContact CG2-CB 3.77Å; Q779-E783 HydrophobicContact CG-CG 4.33Å; Q779-E783 WeakPolarHBondContact CG-OE1 3.33Å; Q779-E783 PolarHBondContact NE2-OE1 2.82Å; Q779-E783 PolarHBondContact O-N 3.03Å; E783-A785 VanDerWaalsContact C-N 3.25Å; E783-A785 PolarHBondContact O-N 3.34Å; E783-D786 PolarHBondContact O-N 3.16Å; E783-A787 WeakPolarHBondContact O-CB 3.33Å; E783-A787 PolarHBondContact O-N 3.22Å
784	A	77.4	Confident	73.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-33.3	174.5	0	0	0	0	0	111.5	F744 A762 V772 G780 A788	F744-A784 HydrophobicContact CD1-CB 4.27Å; F744-A784 HydrophobicContact CE1-CB 4.37Å; A762-A784 HydrophobicContact CB-CB 4.06Å; A762-A784 WeakPolarHBondContact CB-O 3.37Å; V772-A784 HydrophobicContact CG2-CB 3.89Å; G780-A784 WeakPolarHBondContact O-CB 3.2Å; G780-A784 PolarHBondContact O-N 2.75Å; A784-A788 WeakPolarHBondContact O-CB 3.27Å; A784-A788 PolarHBondContact O-N 2.99Å; A784-A788 VanDerWaalsContact O-N 3.11Å
785	A	80.3	Confident	72.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-73.6	-40.9	175.9	0	0	0	0	0	112.8	P727 V728 L731 F744 K781 Q782 E783 A788 L789	P727-A785 VanDerWaalsContact C-CB 3.47Å; P727-A785 HydrophobicContact CB-CB 4.04Å; P727-A785 WeakPolarHBondContact O-CB 3.48Å; V728-A785 HydrophobicContact CB-CB 4.4Å; V728-A785 HydrophobicContact CG2-CB 4.01Å; L731-A785 HydrophobicContact CB-CB 4.28Å; L731-A785 HydrophobicContact CD2-CB 4.46Å; F744-A785 HydrophobicContact CE1-CB 3.75Å; F744-A785 HydrophobicContact CZ-CB 3.78Å; K781-A785 WeakPolarHBondContact O-CB 3.39Å; K781-A785 PolarHBondContact O-N 2.86Å; K781-A785 VanDerWaalsContact O-N 3.11Å; Q782-A785 PolarHBondContact O-N 2.86Å; E783-A785 VanDerWaalsContact C-N 3.25Å; E783-A785 PolarHBondContact O-N 3.34Å; A785-A788 PolarHBondContact O-N 3.01Å; A785-L789 WeakPolarHBondContact O-CB 3.2Å; A785-L789 WeakPolarHBondContact O-CG 3.13Å; A785-L789 PolarHBondContact O-N 3.01Å
786	D	72.7	Confident	71.5	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-47.9	173.9	173.5	93.8	0	0	0	110.9	L723 P727 Q782 E783 A788 L789 R790	L723-D786 HydrophobicContact CD2-CB 4.33Å; L723-D786 WeakPolarHBondContact CD2-OD1 3.46Å; P727-D786 HydrophobicContact CB-CB 4.11Å; P727-D786 HydrophobicContact CG-CB 4.24Å; Q782-D786 PolarHBondContact O-N 2.72Å; Q782-D786 VanDerWaalsContact O-N 3.07Å; E783-D786 PolarHBondContact O-N 3.16Å; D786-A788 VanDerWaalsContact C-N 3.34Å; D786-A788 PolarHBondContact O-N 3.21Å; D786-L789 PolarHBondContact O-N 3.35Å; D786-R790 VanDerWaalsContact CG-NE 3.34Å; D786-R790 WeakPolarHBondContact O-CG 3.44Å; D786-R790 PolarHBondContact O-N 3.06Å; D786-R790 IonicContact OD1-CZ 2.75Å; D786-R790 IonicContact OD1-NE 3.94Å; D786-R790 PolarHBondContact OD1-NE 3.33Å; D786-R790 IonicContact OD1-NH2 2.84Å; D786-R790 PolarHBondContact OD1-NH2 3.46Å; D786-R790 IonicContact OD2-CZ 2.94Å; D786-R790 IonicContact OD2-NE 2.81Å; D786-R790 PolarHBondContact OD2-NE 3.08Å; D786-R790 IonicContact OD2-NH2 3.23Å
787	A	64.3	Low	69.8	Low	12 Å²	12	45.9 Å²	45.9	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-41.7	176.3	0	0	0	0	0	112.6	V772 E783 V791	V772-A787 HydrophobicContact CG1-CB 4.16Å; E783-A787 WeakPolarHBondContact O-CB 3.33Å; E783-A787 PolarHBondContact O-N 3.22Å; A787-V791 WeakPolarHBondContact O-CG2 3.47Å; A787-V791 PolarHBondContact O-N 3.16Å
788	A	70.6	Confident	67.9	Low	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-45.9	177.9	0	0	0	0	0	112.6	L731 A762 F769 A784 A785 D786 R790 V791 L792	L731-A788 HydrophobicContact CD1-CB 3.57Å; L731-A788 HydrophobicContact CD2-CB 3.88Å; L731-A788 HydrophobicContact CG-CB 4.4Å; A762-A788 HydrophobicContact CB-CB 4.01Å; F769-A788 HydrophobicContact CB-CB 3.78Å; F769-A788 HydrophobicContact CD1-CB 3.74Å; F769-A788 HydrophobicContact CD2-CB 3.99Å; F769-A788 HydrophobicContact CE1-CB 4.38Å; F769-A788 HydrophobicContact CG-CB 3.52Å; A784-A788 WeakPolarHBondContact O-CB 3.27Å; A784-A788 PolarHBondContact O-N 2.99Å; A784-A788 VanDerWaalsContact O-N 3.11Å; A785-A788 PolarHBondContact O-N 3.01Å; D786-A788 VanDerWaalsContact C-N 3.34Å; D786-A788 PolarHBondContact O-N 3.21Å; A788-R790 PolarHBondContact O-N 3.17Å; A788-V791 PolarHBondContact O-N 2.93Å; A788-L792 WeakPolarHBondContact O-CD1 3.42Å; A788-L792 VanDerWaalsContact O-CG 3.32Å; A788-L792 WeakPolarHBondContact O-CG 3.49Å; A788-L792 PolarHBondContact O-N 2.87Å
789	L	65.6	Low	65.9	Low	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-39.8	177.3	-78.4	174.2	0	0	0	112.5	L719 L723 P727 L731 A785 D786 V791 L792 I793	L719-L789 HydrophobicContact CD2-CD2 3.82Å; L723-L789 HydrophobicContact CD2-CB 3.48Å; L723-L789 VanDerWaalsContact CD2-CB 3.48Å; L723-L789 HydrophobicContact CD2-CD1 3.98Å; L723-L789 HydrophobicContact CD2-CG 4.4Å; L723-L789 HydrophobicContact CG-CB 3.79Å; L723-L789 HydrophobicContact CG-CD1 4.1Å; P727-L789 HydrophobicContact CB-CD1 3.93Å; P727-L789 WeakPolarHBondContact O-CD1 3.35Å; L731-L789 HydrophobicContact CB-CD2 4.47Å; L731-L789 HydrophobicContact CB-CG 4.27Å; L731-L789 HydrophobicContact CD1-CD2 3.95Å; L731-L789 HydrophobicContact CD1-CG 3.89Å; A785-L789 WeakPolarHBondContact O-CB 3.2Å; A785-L789 WeakPolarHBondContact O-CG 3.13Å; A785-L789 PolarHBondContact O-N 3.01Å; D786-L789 PolarHBondContact O-N 3.35Å; L789-V791 VanDerWaalsContact C-N 3.34Å; L789-V791 PolarHBondContact O-N 2.78Å; L789-L792 PolarHBondContact O-N 3.45Å; L789-I793 WeakPolarHBondContact O-CG1 3.49Å; L789-I793 PolarHBondContact O-N 3.46Å
790	R	67	Low	64.6	Low	91 Å²	91	42.2 Å²	42.2	34%	0.343	22%	0.215	S	C	.	.	H	α-helix	trans	-60.5	-41.8	175.4	-73.3	177.4	-165.8	-74.6	-22.7	112.5	L723 D786 A788 G794 D853	L723-R790 HydrophobicContact CD1-CG 4.08Å; L723-R790 HydrophobicContact CD2-CG 4.1Å; D786-R790 VanDerWaalsContact CG-NE 3.34Å; D786-R790 WeakPolarHBondContact O-CG 3.44Å; D786-R790 PolarHBondContact O-N 3.06Å; D786-R790 IonicContact OD1-CZ 2.75Å; D786-R790 IonicContact OD1-NE 3.94Å; D786-R790 PolarHBondContact OD1-NE 3.33Å; D786-R790 IonicContact OD1-NH2 2.84Å; D786-R790 PolarHBondContact OD1-NH2 3.46Å; D786-R790 IonicContact OD2-CZ 2.94Å; D786-R790 IonicContact OD2-NE 2.81Å; D786-R790 PolarHBondContact OD2-NE 3.08Å; D786-R790 IonicContact OD2-NH2 3.23Å; A788-R790 PolarHBondContact O-N 3.17Å; R790-G794 PolarHBondContact O-N 3.27Å; R790-D853 IonicContact NH1-OD1 3.9Å
791	V	62.9	Low	63	Low	41 Å²	41	48.9 Å²	48.9	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-45.9	175.9	171.1	0	0	0	0	110.7	F769 A787 A788 L789 G794 E795	F769-V791 HydrophobicContact CD1-CB 4.03Å; F769-V791 HydrophobicContact CD1-CG1 4.05Å; F769-V791 HydrophobicContact CE1-CB 4.1Å; F769-V791 HydrophobicContact CE1-CG1 3.85Å; A787-V791 WeakPolarHBondContact O-CG2 3.47Å; A787-V791 PolarHBondContact O-N 3.16Å; A788-V791 PolarHBondContact O-N 2.93Å; L789-V791 VanDerWaalsContact C-N 3.34Å; L789-V791 PolarHBondContact O-N 2.78Å; V791-G794 CarbonylContact O-C 3.49Å; V791-G794 PolarHBondContact O-N 2.97Å; V791-E795 WeakPolarHBondContact CG1-OE1 3.42Å; V791-E795 WeakPolarHBondContact O-CB 3.47Å; V791-E795 VanDerWaalsContact O-CG 3.31Å; V791-E795 WeakPolarHBondContact O-CG 3.44Å; V791-E795 PolarHBondContact O-N 3.25Å
792	L	64.9	Low	60.7	Low	14 Å²	14	51.7 Å²	51.7	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-44	-178.6	-70.5	162.7	0	0	0	112.8	L731 Y734 F769 A788 L789 E795 N796	L731-L792 HydrophobicContact CD1-CD1 3.69Å; Y734-L792 HydrophobicContact CD1-CD1 3.68Å; Y734-L792 HydrophobicContact CE1-CB 4.43Å; Y734-L792 HydrophobicContact CE1-CD1 3.57Å; Y734-L792 HydrophobicContact CE1-CD2 3.68Å; Y734-L792 HydrophobicContact CE1-CG 4.09Å; F769-L792 HydrophobicContact CE1-CD1 4.31Å; F769-L792 HydrophobicContact CE1-CD2 4.08Å; F769-L792 HydrophobicContact CE1-CG 3.85Å; F769-L792 HydrophobicContact CZ-CD1 4.14Å; F769-L792 HydrophobicContact CZ-CD2 3.82Å; F769-L792 HydrophobicContact CZ-CG 3.95Å; A788-L792 WeakPolarHBondContact O-CD1 3.42Å; A788-L792 VanDerWaalsContact O-CG 3.32Å; A788-L792 WeakPolarHBondContact O-CG 3.49Å; A788-L792 PolarHBondContact O-N 2.87Å; L789-L792 PolarHBondContact O-N 3.45Å; L792-E795 PolarHBondContact O-N 3.3Å; L792-N796 PolarHBondContact O-N 3.23Å
793	I	61.7	Low	58.7	Low	16 Å²	16	51.6 Å²	51.6	8%	0.082	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-48	174.6	-66.2	167.6	0	0	0	110.2	L719 V720 L723 L789 E795 N796 E797	L719-I793 HydrophobicContact CB-CD1 3.9Å; L719-I793 HydrophobicContact CB-CG1 3.95Å; L719-I793 HydrophobicContact CD1-CG1 4.34Å; V720-I793 HydrophobicContact CG2-CD1 4.11Å; L723-I793 HydrophobicContact CD1-CD1 3.52Å; L723-I793 HydrophobicContact CG-CD1 4.24Å; L789-I793 WeakPolarHBondContact O-CG1 3.49Å; L789-I793 PolarHBondContact O-N 3.46Å; I793-E795 PolarHBondContact O-N 3.1Å; I793-E795 VanDerWaalsContact O-N 3.1Å; I793-N796 PolarHBondContact O-N 2.99Å; I793-E797 WeakPolarHBondContact O-CB 3.28Å; I793-E797 PolarHBondContact O-N 2.93Å
794	G	50.7	Low	56.5	Low	22 Å²	22	58.4 Å²	58.4	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-4.1	178	0	0	0	0	0	115.3	R790 V791 K798	R790-G794 PolarHBondContact O-N 3.27Å; V791-G794 CarbonylContact O-C 3.49Å; V791-G794 PolarHBondContact O-N 2.97Å; G794-K798 WeakPolarHBondContact O-CD 3.49Å; G794-K798 WeakPolarHBondContact O-CE 3.18Å; G794-K798 WeakPolarHBondContact O-CG 3.44Å; G794-K798 PolarHBondContact O-NZ 3.11Å
795	E	54.7	Low	54.5	Low	67 Å²	67	64.2 Å²	64.2	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-101.4	-42.4	170.7	-76.9	170.6	175	0	0	111.6	R767 V791 L792 I793 E797 K798 A799	R767-E795 IonicContact CZ-OE1 2.78Å; R767-E795 IonicContact CZ-OE2 2.77Å; R767-E795 IonicContact NH1-OE1 2.65Å; R767-E795 PolarHBondContact NH1-OE1 3.08Å; R767-E795 IonicContact NH1-OE2 2.63Å; R767-E795 PolarHBondContact NH1-OE2 3.04Å; R767-E795 IonicContact NH2-OE1 3.27Å; R767-E795 PolarHBondContact NH2-OE1 3.02Å; R767-E795 IonicContact NH2-OE2 2.62Å; V791-E795 WeakPolarHBondContact CG1-OE1 3.42Å; V791-E795 WeakPolarHBondContact O-CB 3.47Å; V791-E795 VanDerWaalsContact O-CG 3.31Å; V791-E795 WeakPolarHBondContact O-CG 3.44Å; V791-E795 PolarHBondContact O-N 3.25Å; L792-E795 PolarHBondContact O-N 3.3Å; I793-E795 PolarHBondContact O-N 3.1Å; I793-E795 VanDerWaalsContact O-N 3.1Å; E795-E797 VanDerWaalsContact C-N 3.32Å; E795-E797 PolarHBondContact O-N 2.85Å; E795-K798 WeakPolarHBondContact O-CA 3.32Å; E795-K798 WeakPolarHBondContact O-CB 3.5Å; E795-K798 PolarHBondContact O-N 3.35Å; E795-A799 PolarHBondContact O-N 2.75Å
796	N	52.8	Low	52.4	Low	58 Å²	58	73.3 Å²	73.3	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-44.7	172.2	-168.4	82.2	0	0	0	111.2	I716 L792 I793 K798 A799 E800	I716-N796 WeakPolarHBondContact CD1-ND2 3.3Å; L792-N796 PolarHBondContact O-N 3.23Å; I793-N796 PolarHBondContact O-N 2.99Å; N796-K798 PolarHBondContact O-N 2.77Å; N796-K798 VanDerWaalsContact O-N 3.12Å; N796-A799 PolarHBondContact O-N 2.93Å; N796-E800 PolarHBondContact ND2-OE1 2.89Å; N796-E800 WeakPolarHBondContact O-CG 3.17Å; N796-E800 PolarHBondContact O-N 3.24Å
797	E	50.4	Low	50.2	Low	73 Å²	73	77.9 Å²	77.9	34%	0.341	41%	0.411	S	S	.	.	H	α-helix	trans	-55.6	-25.9	171	-86.4	-166.8	-146.7	0	0	114.4	I793 E795 R801	I793-E797 WeakPolarHBondContact O-CB 3.28Å; I793-E797 PolarHBondContact O-N 2.93Å; E795-E797 VanDerWaalsContact C-N 3.32Å; E795-E797 PolarHBondContact O-N 2.85Å; E797-R801 WeakPolarHBondContact O-CB 3.42Å; E797-R801 PolarHBondContact O-NH1 2.71Å; E797-R801 PolarHBondContact O-NH2 2.91Å; E797-R801 IonicContact OE2-NH2 3.3Å; E797-R801 PolarHBondContact OE2-NH2 2.73Å; E797-R801 VanDerWaalsContact OE2-NH2 3.14Å
798	K	46.9	Very low	48.5	Very low	121 Å²	121	82.9 Å²	82.9	53%	0.526	44%	0.44	S	S	.	.	H	α-helix	trans	-86.7	-40.5	177.4	-71.4	169.7	-170.4	151.9	0	111.2	G794 E795 N796 R801 M802	G794-K798 WeakPolarHBondContact O-CD 3.49Å; G794-K798 WeakPolarHBondContact O-CE 3.18Å; G794-K798 WeakPolarHBondContact O-CG 3.44Å; G794-K798 PolarHBondContact O-NZ 3.11Å; E795-K798 WeakPolarHBondContact O-CA 3.32Å; E795-K798 WeakPolarHBondContact O-CB 3.5Å; E795-K798 PolarHBondContact O-N 3.35Å; N796-K798 PolarHBondContact O-N 2.77Å; N796-K798 VanDerWaalsContact O-N 3.12Å; K798-R801 PolarHBondContact O-N 3.32Å; K798-R801 VanDerWaalsContact O-N 3.13Å; K798-M802 VanDerWaalsContact O-CG 3.24Å; K798-M802 WeakPolarHBondContact O-CG 3.26Å; K798-M802 PolarHBondContact O-N 2.99Å
799	A	44	Very low	46.7	Very low	59 Å²	59	89 Å²	89	49%	0.488	48%	0.48	S	S	.	.	H	α-helix	trans	-59.1	-47.6	175.6	0	0	0	0	0	111.2	E795 N796 R801 M802 G803	E795-A799 PolarHBondContact O-N 2.75Å; N796-A799 PolarHBondContact O-N 2.93Å; A799-R801 PolarHBondContact O-N 3.27Å; A799-R801 VanDerWaalsContact O-N 3.17Å; A799-M802 PolarHBondContact O-N 3.38Å; A799-M802 VanDerWaalsContact O-N 3.13Å; A799-G803 PolarHBondContact O-N 3.12Å; A799-G803 VanDerWaalsContact O-N 3.16Å
800	E	47.8	Very low	45	Very low	80 Å²	80	94.1 Å²	94.1	37%	0.374	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-23.1	176.4	-70.5	175.1	171.5	0	0	113.5	I716 N796	I716-E800 WeakPolarHBondContact CD1-OE2 3.45Å; N796-E800 PolarHBondContact ND2-OE1 2.89Å; N796-E800 WeakPolarHBondContact O-CG 3.17Å; N796-E800 PolarHBondContact O-N 3.24Å
801	R	45.6	Very low	43.5	Very low	139 Å²	139	95.3 Å²	95.3	53%	0.525	53%	0.528	S	S	.	.	H	α-helix	trans	-91.9	-10.7	-180	-157.7	178.8	-61.9	116.5	-2.9	113.7	E797 K798 A799	E797-R801 WeakPolarHBondContact O-CB 3.42Å; E797-R801 PolarHBondContact O-NH1 2.71Å; E797-R801 PolarHBondContact O-NH2 2.91Å; E797-R801 IonicContact OE2-NH2 3.3Å; E797-R801 PolarHBondContact OE2-NH2 2.73Å; E797-R801 VanDerWaalsContact OE2-NH2 3.14Å; K798-R801 PolarHBondContact O-N 3.32Å; K798-R801 VanDerWaalsContact O-N 3.13Å; A799-R801 PolarHBondContact O-N 3.27Å; A799-R801 VanDerWaalsContact O-N 3.17Å
802	M	38.9	Very low	42.1	Very low	145 Å²	145	96 Å²	96	71%	0.714	54%	0.544	S	S	*	.	H	α-helix	trans	-114.8	-19.8	-174.4	-66.4	-68.4	-68.8	0	0	113.7	K798 A799 F804	K798-M802 VanDerWaalsContact O-CG 3.24Å; K798-M802 WeakPolarHBondContact O-CG 3.26Å; K798-M802 PolarHBondContact O-N 2.99Å; A799-M802 PolarHBondContact O-N 3.38Å; A799-M802 VanDerWaalsContact O-N 3.13Å; M802-F804 PolarHBondContact O-N 2.82Å
803	G	38.7	Very low	40.5	Very low	69 Å²	69	99.4 Å²	99.4	71%	0.711	57%	0.574	S	S	*	*			trans	68.1	7.2	167.5	0	0	0	0	0	116.6	A799	A799-G803 PolarHBondContact O-N 3.12Å; A799-G803 VanDerWaalsContact O-N 3.16Å
804	F	29.3	Very low	39.1	Very low	185 Å²	185	101.6 Å²	101.6	81%	0.811	59%	0.59	S	S	*	*	S	Bend	trans	-138.4	143.3	-178.3	-132.9	-98.5	0	0	0	110.5	M802	M802-F804 PolarHBondContact O-N 2.82Å
805	T	34.5	Very low	38.5	Very low	122 Å²	122	106 Å²	106	75%	0.748	61%	0.608	S	S	*	*	S	Bend	trans	-82	147	172.8	40.1	0	0	0	0	111.3
806	E	35.9	Very low	37.8	Very low	191 Å²	191	112.8 Å²	112.8	89%	0.893	63%	0.631	S	S	*	*			trans	63.9	111.8	179.5	-56.2	-158.8	120.9	0	0	117.9
807	V	28.2	Very low	36.8	Very low	131 Å²	131	119.6 Å²	119.6	79%	0.794	65%	0.652	S	S	*	*			trans	-143.7	141.7	145.1	-168.1	0	0	0	0	109.3
808	T	27.4	Very low	36.2	Very low	117 Å²	117	119.7 Å²	119.7	72%	0.718	66%	0.658	S	S	*	*			trans	-67.2	163.3	176.2	31.1	0	0	0	0	114.3	V810	T808-V810 PolarHBondContact O-N 3.07Å
809	P	32.9	Very low	35.8	Very low	129 Å²	129	118 Å²	118	84%	0.838	65%	0.653	S	S	*	*			trans	-72.9	114.6	-174.7	28.6	-35.4	0	0	0	113.2
810	V	29.5	Very low	35.5	Very low	106 Å²	106	120.2 Å²	120.2	64%	0.642	66%	0.656	S	S	*	*			trans	-89.2	135.3	177.4	-176.9	0	0	0	0	111.5	T808	T808-V810 PolarHBondContact O-N 3.07Å
811	T	35.5	Very low	34.6	Very low	117 Å²	117	122.3 Å²	122.3	72%	0.718	67%	0.669	S	S	*	*			trans	-74.9	155.1	-175.8	52.3	0	0	0	0	113.9	A813 S814	T811-A813 PolarHBondContact O-N 3.46Å; T811-S814 PolarHBondContact O-N 3.47Å
812	G	34.6	Very low	34.1	Very low	56 Å²	56	120.8 Å²	120.8	58%	0.577	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-3.3	-162.5	0	0	0	0	0	118.2
813	A	31.1	Very low	33.9	Very low	85 Å²	85	117.8 Å²	117.8	70%	0.702	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-37.3	175.5	0	0	0	0	0	112.6	T811	T811-A813 PolarHBondContact O-N 3.46Å
814	S	31.7	Very low	33.5	Very low	61 Å²	61	124.6 Å²	124.6	43%	0.427	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-39.1	-173.1	-165.5	0	0	0	0	112.9	T811 R816 R817 T818	T811-S814 PolarHBondContact O-N 3.47Å; S814-R816 PolarHBondContact O-N 2.73Å; S814-R816 VanDerWaalsContact O-N 3.12Å; S814-R817 PolarHBondContact O-N 3.4Å; S814-T818 PolarHBondContact O-N 3.41Å
815	L	39.3	Very low	33.3	Very low	114 Å²	114	118.1 Å²	118.1	60%	0.597	65%	0.646	S	S	*	*	H	α-helix	trans	-52	-38.5	-179.6	-85.7	165.9	0	0	0	113.7	R817 T818 M819	L815-R817 VanDerWaalsContact C-N 3.27Å; L815-R817 PolarHBondContact O-N 2.98Å; L815-T818 PolarHBondContact O-N 3.13Å; L815-M819 WeakPolarHBondContact O-CG 3.34Å; L815-M819 PolarHBondContact O-N 3.17Å
816	R	40	Very low	33.2	Very low	210 Å²	210	118 Å²	118	79%	0.792	65%	0.647	S	S	*	*	H	α-helix	trans	-62.8	-31.6	178.3	-77.5	-174.6	167.5	177.5	2.6	112.9	S814 L820	S814-R816 PolarHBondContact O-N 2.73Å; S814-R816 VanDerWaalsContact O-N 3.12Å; R816-L820 WeakPolarHBondContact O-CB 3.43Å; R816-L820 PolarHBondContact O-N 3.24Å
817	R	31.9	Very low	32.8	Very low	202 Å²	202	117.1 Å²	117.1	76%	0.762	64%	0.643	S	S	*	*	H	α-helix	trans	-80.2	-42.5	-179.4	-158.4	172.7	-169.8	129.2	-0.2	111.1	S814 L815 L820 L821	S814-R817 PolarHBondContact O-N 3.4Å; L815-R817 VanDerWaalsContact C-N 3.27Å; L815-R817 PolarHBondContact O-N 2.98Å; R817-L820 PolarHBondContact O-N 3.34Å; R817-L821 PolarHBondContact O-N 3.23Å
818	T	35.8	Very low	32.8	Very low	74 Å²	74	113 Å²	113	45%	0.454	62%	0.622	S	S	.	*	H	α-helix	trans	-68.2	-41.5	179.3	-44.5	0	0	0	0	112.3	S814 L815 L820 L821 L822	S814-T818 PolarHBondContact O-N 3.41Å; L815-T818 PolarHBondContact O-N 3.13Å; T818-L820 VanDerWaalsContact C-N 3.32Å; T818-L820 PolarHBondContact O-N 3.44Å; T818-L821 PolarHBondContact O-N 2.9Å; T818-L822 PolarHBondContact O-N 3.32Å; T818-L822 VanDerWaalsContact O-N 3.16Å
819	M	40.2	Very low	32.8	Very low	86 Å²	86	115 Å²	115	42%	0.424	62%	0.623	S	S	.	*	H	α-helix	trans	-67	-31.8	175.4	-67.6	-167.6	82.7	0	0	112.9	L815 L822 S823 Y1134	L815-M819 WeakPolarHBondContact O-CG 3.34Å; L815-M819 PolarHBondContact O-N 3.17Å; M819-L822 PolarHBondContact O-N 3Å; M819-S823 PolarHBondContact O-N 3.18Å; M819-S823 VanDerWaalsContact O-N 3.16Å; M819-Y1134 HydrophobicContact CE-CE1 4.26Å; M819-Y1134 WeakPolarHBondContact CE-OH 3.42Å
820	L	36.4	Very low	32.6	Very low	105 Å²	105	112.8 Å²	112.8	55%	0.55	61%	0.609	S	S	.	*	H	α-helix	trans	-66.1	-38.2	174.8	-109.4	166.3	0	0	0	112.3	R816 R817 T818 S823	R816-L820 WeakPolarHBondContact O-CB 3.43Å; R816-L820 PolarHBondContact O-N 3.24Å; R817-L820 PolarHBondContact O-N 3.34Å; T818-L820 VanDerWaalsContact C-N 3.32Å; T818-L820 PolarHBondContact O-N 3.44Å; L820-S823 PolarHBondContact O-N 2.75Å; L820-S823 PolarHBondContact O-OG 3.2Å
821	L	30.3	Very low	32.5	Very low	125 Å²	125	117.5 Å²	117.5	65%	0.654	62%	0.621	S	S	*	*	H	α-helix	trans	-65.8	-45.3	175.3	-78.2	162.2	0	0	0	111.9	R817 T818 S823 R824	R817-L821 PolarHBondContact O-N 3.23Å; T818-L821 PolarHBondContact O-N 2.9Å; L821-S823 PolarHBondContact O-N 2.81Å; L821-R824 PolarHBondContact O-N 3.11Å; L821-R824 VanDerWaalsContact O-N 3.08Å
822	L	33.8	Very low	32.4	Very low	106 Å²	106	115.7 Å²	115.7	56%	0.555	61%	0.61	S	S	*	*	H	α-helix	trans	-60.4	-27.7	175.4	-69.2	171.1	0	0	0	112.9	T818 M819 R824	T818-L822 PolarHBondContact O-N 3.32Å; T818-L822 VanDerWaalsContact O-N 3.16Å; M819-L822 PolarHBondContact O-N 3Å; L822-R824 VanDerWaalsContact C-N 3.25Å; L822-R824 PolarHBondContact O-N 3.07Å
823	S	35.7	Very low	32.3	Very low	83 Å²	83	117.7 Å²	117.7	58%	0.58	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	5.8	176.3	71.2	0	0	0	0	115.5	M819 L820 L821	M819-S823 PolarHBondContact O-N 3.18Å; M819-S823 VanDerWaalsContact O-N 3.16Å; L820-S823 PolarHBondContact O-N 2.75Å; L820-S823 PolarHBondContact O-OG 3.2Å; L821-S823 PolarHBondContact O-N 2.81Å
824	R	29.2	Very low	32.3	Very low	212 Å²	212	118.3 Å²	118.3	80%	0.8	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	-3.2	-175	-79.8	-169.6	171.6	-161.5	-2.4	116.8	L821 L822	L821-R824 PolarHBondContact O-N 3.11Å; L821-R824 VanDerWaalsContact O-N 3.08Å; L822-R824 VanDerWaalsContact C-N 3.25Å; L822-R824 PolarHBondContact O-N 3.07Å
825	S	26.2	Very low	32.7	Very low	49 Å²	49	117.8 Å²	117.8	34%	0.343	60%	0.596	S	S	.	*			trans	-104.2	125.5	169.9	170.8	0	0	0	0	110.3	E827 A828	S825-E827 PolarHBondContact O-N 3.1Å; S825-E827 PolarHBondContact OG-N 3.04Å; S825-A828 PolarHBondContact OG-N 3.03Å
826	P	31.9	Very low	32.5	Very low	118 Å²	118	117.7 Å²	117.7	77%	0.766	60%	0.6	S	S	*	*	S	Bend	trans	-65.1	-21.7	171.5	-21.3	34	0	0	0	113.8
827	E	27.2	Very low	32.9	Very low	174 Å²	174	111.6 Å²	111.6	81%	0.813	60%	0.603	S	S	*	*	S	Bend	trans	-97	-17.2	-170.9	-66	145.3	175.2	0	0	112.5	S825 Q829	S825-E827 PolarHBondContact O-N 3.1Å; S825-E827 PolarHBondContact OG-N 3.04Å; E827-Q829 PolarHBondContact O-N 3.14Å
828	A	28.2	Very low	34.4	Very low	43 Å²	43	103.9 Å²	103.9	36%	0.355	58%	0.58	S	S	.	*			trans	-77.9	49.3	178.4	0	0	0	0	0	113	S825 P830	S825-A828 PolarHBondContact OG-N 3.03Å; A828-P830 WeakPolarHBondContact O-CD 3.23Å
829	Q	27.1	Very low	36.5	Very low	159 Å²	159	102 Å²	102	74%	0.743	57%	0.569	S	S	*	*			trans	-62	124.9	168.5	-69.7	-157.3	21.4	0	0	109.5	E827 K831	E827-Q829 PolarHBondContact O-N 3.14Å; Q829-K831 PolarHBondContact O-N 3.37Å
830	P	28.9	Very low	38.7	Very low	83 Å²	83	100.7 Å²	100.7	54%	0.539	56%	0.561	S	S	.	*			trans	-70.5	100.9	174.9	28.6	-32.5	0	0	0	108.3	A828 T832	A828-P830 WeakPolarHBondContact O-CD 3.23Å; P830-T832 PolarHBondContact O-N 2.75Å
831	K	28.5	Very low	41	Very low	205 Å²	205	96.4 Å²	96.4	89%	0.891	54%	0.538	S	S	*	.			trans	-40.9	111	179.9	-70.5	-176.5	177.1	-179.2	0	110	Q829	Q829-K831 PolarHBondContact O-N 3.37Å
832	T	33.3	Very low	43.4	Very low	79 Å²	79	91.7 Å²	91.7	49%	0.485	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-70.1	156.4	-178.7	42.2	0	0	0	0	110.1	P830	P830-T832 PolarHBondContact O-N 2.75Å
833	L	30.9	Very low	45.7	Very low	99 Å²	99	88.5 Å²	88.5	52%	0.518	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-51	143.5	162.2	-71.1	165.6	0	0	0	109.1	L835	L833-L835 PolarHBondContact O-N 3.25Å; L833-L835 VanDerWaalsContact O-N 3.17Å
834	P	32	Very low	48.2	Very low	98 Å²	98	84.7 Å²	84.7	64%	0.636	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-59.7	121.4	179.7	24.1	-33	0	0	0	109.9	T836	P834-T836 PolarHBondContact O-N 3.48Å
835	L	40.5	Very low	50.8	Low	49 Å²	49	75 Å²	75	26%	0.257	43%	0.433	S	S	.	.			trans	-85.8	13.4	-173.4	-71.4	174.7	0	0	0	113.7	L833 G837 S838 M846 M881	L833-L835 PolarHBondContact O-N 3.25Å; L833-L835 VanDerWaalsContact O-N 3.17Å; L835-G837 PolarHBondContact O-N 2.69Å; L835-S838 WeakPolarHBondContact CB-OG 3.42Å; L835-S838 WeakPolarHBondContact O-CB 3.34Å; L835-S838 PolarHBondContact O-N 3.45Å; L835-S838 PolarHBondContact O-OG 3.45Å; L835-M846 HydrophobicContact CD2-CE 3.7Å; L835-M846 HydrophobicContact CD2-SD 4.29Å; L835-M881 HydrophobicContact CD1-CE 3.45Å; L835-M881 VanDerWaalsContact CD1-CE 3.45Å; L835-M881 HydrophobicContact CD1-SD 3.74Å
836	T	35.3	Very low	53.5	Low	112 Å²	112	76.2 Å²	76.2	69%	0.687	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	115.1	-177.9	-31.9	0	0	0	0	110.4	P834	P834-T836 PolarHBondContact O-N 3.48Å
837	G	47.7	Very low	56.1	Low	83 Å²	83	72 Å²	72	86%	0.856	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	0.5	-176.7	0	0	0	0	0	116.3	L835	L835-G837 PolarHBondContact O-N 2.69Å
838	S	64	Low	59.1	Low	40 Å²	40	63.7 Å²	63.7	28%	0.28	37%	0.367	S	S	.	.			trans	-85.3	130.2	174.4	69.3	0	0	0	0	112.1	L835 Q843	L835-S838 WeakPolarHBondContact CB-OG 3.42Å; L835-S838 WeakPolarHBondContact O-CB 3.34Å; L835-S838 PolarHBondContact O-N 3.45Å; L835-S838 PolarHBondContact O-OG 3.45Å; S838-Q843 PolarHBondContact O-NE2 2.81Å
839	T	79.3	Confident	61.8	Low	35 Å²	35	65.3 Å²	65.3	22%	0.215	37%	0.367	C	S	.	.			trans	-73.9	159.3	179.3	75.1	0	0	0	0	111.7	H841 D842 Q843 S1110	T839-H841 PolarHBondContact O-N 3.38Å; T839-H841 VanDerWaalsContact O-N 3.12Å; T839-H841 PolarHBondContact OG1-N 3.45Å; T839-D842 WeakPolarHBondContact CB-OD2 3.38Å; T839-D842 WeakPolarHBondContact CG2-OD2 3.38Å; T839-D842 PolarHBondContact N-OD2 2.59Å; T839-D842 VanDerWaalsContact N-OD2 3.16Å; T839-D842 WeakPolarHBondContact O-CB 3.44Å; T839-D842 PolarHBondContact O-N 2.88Å; T839-D842 VanDerWaalsContact OG1-CG 3.31Å; T839-D842 PolarHBondContact OG1-N 3.02Å; T839-D842 VanDerWaalsContact OG1-N 3.11Å; T839-D842 PolarHBondContact OG1-OD2 2.87Å; T839-Q843 WeakPolarHBondContact O-CG 3.41Å; T839-Q843 PolarHBondContact O-N 2.88Å; T839-S1110 VanDerWaalsContact CG2-OG 3.3Å; T839-S1110 WeakPolarHBondContact CG2-OG 3.3Å
840	F	85.4	Confident	64.4	Low	58 Å²	58	63.4 Å²	63.4	25%	0.254	35%	0.353	S	S	.	.	H	α-helix	trans	-49.4	-35.9	168	166.7	-99.9	0	0	0	113.1	I844 K875 H958 S1064	F840-I844 HydrophobicContact CD2-CG1 4.5Å; F840-I844 HydrophobicContact CE1-CG1 4.29Å; F840-I844 HydrophobicContact CE2-CD1 4.28Å; F840-I844 HydrophobicContact CE2-CG1 3.99Å; F840-I844 HydrophobicContact CZ-CD1 4.32Å; F840-I844 HydrophobicContact CZ-CG1 3.87Å; F840-I844 WeakPolarHBondContact O-CG1 3.43Å; F840-I844 PolarHBondContact O-N 2.62Å; F840-K875 HydrophobicContact CE2-CD 4.39Å; F840-H958 AromaticContact CZ-CE1 3.92Å; F840-H958 AromaticContact CZ-ND1 3.65Å; F840-S1064 WeakPolarHBondContact CZ-OG 3.46Å
841	H	85.3	Confident	67.2	Low	15 Å²	15	60.4 Å²	60.4	7%	0.069	33%	0.334	C	S	.	.	H	α-helix	trans	-75.2	-35.7	-179.9	-69.2	-72.9	0	0	0	112.1	T839 I844 A845 T1066 K1105 G1107 R1108	T839-H841 PolarHBondContact O-N 3.38Å; T839-H841 VanDerWaalsContact O-N 3.12Å; T839-H841 PolarHBondContact OG1-N 3.45Å; H841-I844 PolarHBondContact O-N 3.02Å; H841-A845 PolarHBondContact O-N 3.01Å; H841-A845 VanDerWaalsContact O-N 3.09Å; H841-T1066 HydrophobicContact CB-CG2 3.82Å; H841-T1066 PolarHBondContact ND1-OG1 2.9Å; H841-T1066 WeakPolarHBondContact O-CG2 3.28Å; H841-K1105 WeakPolarHBondContact NE2-CE 3.49Å; H841-G1107 VanDerWaalsContact CE1-CA 3.48Å; H841-G1107 WeakPolarHBondContact CE1-CA 3.35Å; H841-G1107 PolarHBondContact CE1-N 2.89Å; H841-R1108 WeakPolarHBondContact CB-O 3.32Å
842	D	80.5	Confident	69.9	Low	26 Å²	26	52.1 Å²	52.1	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-41.3	171.7	-61.5	-58.2	0	0	0	111.6	T839 I844 A845 M846 V1109 S1110	T839-D842 WeakPolarHBondContact CB-OD2 3.38Å; T839-D842 WeakPolarHBondContact CG2-OD2 3.38Å; T839-D842 PolarHBondContact N-OD2 2.59Å; T839-D842 VanDerWaalsContact N-OD2 3.16Å; T839-D842 WeakPolarHBondContact O-CB 3.44Å; T839-D842 PolarHBondContact O-N 2.88Å; T839-D842 VanDerWaalsContact OG1-CG 3.31Å; T839-D842 PolarHBondContact OG1-N 3.02Å; T839-D842 VanDerWaalsContact OG1-N 3.11Å; T839-D842 PolarHBondContact OG1-OD2 2.87Å; D842-I844 PolarHBondContact O-N 2.9Å; D842-A845 PolarHBondContact O-N 3.11Å; D842-M846 VanDerWaalsContact O-CB 3.28Å; D842-M846 WeakPolarHBondContact O-CB 3.2Å; D842-M846 PolarHBondContact O-N 3.47Å; D842-V1109 WeakPolarHBondContact OD1-CA 3.49Å; D842-V1109 WeakPolarHBondContact OD1-CB 3.49Å; D842-S1110 PolarHBondContact OD1-N 2.65Å; D842-S1110 VanDerWaalsContact OD2-CB 3.3Å; D842-S1110 WeakPolarHBondContact OD2-CB 3.42Å; D842-S1110 PolarHBondContact OD2-OG 2.78Å
843	Q	82.3	Confident	72.2	Confident	39 Å²	39	50.7 Å²	50.7	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-46.6	177.4	-65.4	168.4	15.9	0	0	111.9	S838 T839 A845 M846 L847 M881	S838-Q843 PolarHBondContact O-NE2 2.81Å; T839-Q843 WeakPolarHBondContact O-CG 3.41Å; T839-Q843 PolarHBondContact O-N 2.88Å; Q843-A845 VanDerWaalsContact C-N 3.32Å; Q843-A845 PolarHBondContact O-N 2.91Å; Q843-M846 HydrophobicContact CB-CE 4.45Å; Q843-M846 HydrophobicContact CG-CE 4.43Å; Q843-M846 PolarHBondContact O-N 3.25Å; Q843-L847 WeakPolarHBondContact O-CG 3.45Å; Q843-L847 PolarHBondContact O-N 3.34Å; Q843-M881 HydrophobicContact CB-CE 4.26Å; Q843-M881 HydrophobicContact CG-CE 4.14Å
844	I	88.4	Confident	74.7	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-38.7	175.6	-70.2	-62.4	0	0	0	111.9	F840 H841 D842 S848 I873 H958 T1066	F840-I844 HydrophobicContact CD2-CG1 4.5Å; F840-I844 HydrophobicContact CE1-CG1 4.29Å; F840-I844 HydrophobicContact CE2-CD1 4.28Å; F840-I844 HydrophobicContact CE2-CG1 3.99Å; F840-I844 HydrophobicContact CZ-CD1 4.32Å; F840-I844 HydrophobicContact CZ-CG1 3.87Å; F840-I844 WeakPolarHBondContact O-CG1 3.43Å; F840-I844 PolarHBondContact O-N 2.62Å; H841-I844 PolarHBondContact O-N 3.02Å; D842-I844 PolarHBondContact O-N 2.9Å; I844-S848 PolarHBondContact O-N 3.22Å; I844-S848 PolarHBondContact O-OG 2.97Å; I844-I873 HydrophobicContact CD1-CB 3.95Å; I844-I873 HydrophobicContact CD1-CG1 4.03Å; I844-I873 HydrophobicContact CD1-CG2 3.97Å; I844-I873 HydrophobicContact CG2-CD1 3.86Å; I844-I873 HydrophobicContact CG2-CG1 4.4Å; I844-H958 HydrophobicContact CD1-CB 3.74Å; I844-H958 HydrophobicContact CG1-CB 4.41Å; I844-T1066 HydrophobicContact CG2-CG2 4.48Å
845	A	84.6	Confident	77	Confident	7 Å²	7	45 Å²	45	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-72	-44.2	176.3	0	0	0	0	0	112.7	H841 D842 Q843 L847 S848 H849 Y960 V1109	H841-A845 PolarHBondContact O-N 3.01Å; H841-A845 VanDerWaalsContact O-N 3.09Å; D842-A845 PolarHBondContact O-N 3.11Å; Q843-A845 VanDerWaalsContact C-N 3.32Å; Q843-A845 PolarHBondContact O-N 2.91Å; A845-L847 PolarHBondContact O-N 2.98Å; A845-S848 WeakPolarHBondContact O-CB 3.47Å; A845-S848 PolarHBondContact O-N 2.84Å; A845-S848 VanDerWaalsContact O-N 3.15Å; A845-H849 PolarHBondContact O-CD2 3.18Å; A845-H849 VanDerWaalsContact O-CD2 3.25Å; A845-H849 PolarHBondContact O-N 2.76Å; A845-Y960 HydrophobicContact CB-CD2 3.84Å; A845-Y960 HydrophobicContact CB-CE2 3.46Å; A845-Y960 VanDerWaalsContact CB-CE2 3.46Å; A845-V1109 HydrophobicContact CB-CG1 3.4Å; A845-V1109 VanDerWaalsContact CB-CG1 3.4Å
846	M	82.6	Confident	78.7	Confident	76 Å²	76	43.7 Å²	43.7	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-56	-49.3	176.4	170.7	-176.2	51.2	0	0	111.1	L835 D842 Q843 S848 H849 R850	L835-M846 HydrophobicContact CD2-CE 3.7Å; L835-M846 HydrophobicContact CD2-SD 4.29Å; D842-M846 VanDerWaalsContact O-CB 3.28Å; D842-M846 WeakPolarHBondContact O-CB 3.2Å; D842-M846 PolarHBondContact O-N 3.47Å; Q843-M846 HydrophobicContact CB-CE 4.45Å; Q843-M846 HydrophobicContact CG-CE 4.43Å; Q843-M846 PolarHBondContact O-N 3.25Å; M846-S848 VanDerWaalsContact C-N 3.27Å; M846-S848 PolarHBondContact O-N 2.85Å; M846-H849 PolarHBondContact O-N 3.18Å; M846-R850 WeakPolarHBondContact O-CB 3.42Å; M846-R850 PolarHBondContact O-N 3.27Å
847	L	86.2	Confident	80.4	Confident	29 Å²	29	44.5 Å²	44.5	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-39.9	177.4	-71.4	167.2	0	0	0	111.7	Q843 A845 C851 I873 M881 V884	Q843-L847 WeakPolarHBondContact O-CG 3.45Å; Q843-L847 PolarHBondContact O-N 3.34Å; A845-L847 PolarHBondContact O-N 2.98Å; L847-C851 WeakPolarHBondContact O-CB 3.39Å; L847-C851 PolarHBondContact O-N 2.71Å; L847-I873 HydrophobicContact CD1-CG2 4.24Å; L847-M881 WeakPolarHBondContact CD1-O 3.34Å; L847-V884 HydrophobicContact CB-CG2 4.18Å; L847-V884 WeakPolarHBondContact O-CG2 3.27Å
848	S	90.2	Very high	80.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-48.9	178.7	-57.7	0	0	0	0	112.6	I844 A845 M846 F852 A871 I873 Y960	I844-S848 PolarHBondContact O-N 3.22Å; I844-S848 PolarHBondContact O-OG 2.97Å; A845-S848 WeakPolarHBondContact O-CB 3.47Å; A845-S848 PolarHBondContact O-N 2.84Å; A845-S848 VanDerWaalsContact O-N 3.15Å; M846-S848 VanDerWaalsContact C-N 3.27Å; M846-S848 PolarHBondContact O-N 2.85Å; S848-F852 PolarHBondContact O-N 2.82Å; S848-A871 WeakPolarHBondContact OG-CB 3.11Å; S848-I873 WeakPolarHBondContact OG-CD1 3.47Å; S848-Y960 WeakPolarHBondContact OG-CB 3.46Å; S848-Y960 WeakPolarHBondContact OG-CD1 3.38Å
849	H	84.6	Confident	80.3	Confident	77 Å²	77	46 Å²	46	36%	0.356	24%	0.236	S	C	.	.	H	α-helix	trans	-70.6	-44.4	178.6	-71.4	-71.1	0	0	0	112	A845 M846 C851 F852 D853 L869 Y960	A845-H849 PolarHBondContact O-CD2 3.18Å; A845-H849 VanDerWaalsContact O-CD2 3.25Å; A845-H849 PolarHBondContact O-N 2.76Å; M846-H849 PolarHBondContact O-N 3.18Å; H849-C851 VanDerWaalsContact C-N 3.27Å; H849-C851 PolarHBondContact O-N 3.18Å; H849-F852 CarbonylContact O-C 3.55Å; H849-F852 WeakPolarHBondContact O-CA 3.24Å; H849-F852 WeakPolarHBondContact O-CB 3.25Å; H849-F852 PolarHBondContact O-N 2.88Å; H849-D853 PolarHBondContact O-N 2.81Å; H849-L869 WeakPolarHBondContact ND1-CD2 3.02Å; H849-Y960 AromaticContact NE2-CE1 3.95Å; H849-Y960 AromaticContact NE2-CZ 3.74Å; H849-Y960 PolarHBondContact NE2-OH 2.98Å
850	R	81.6	Confident	79.1	Confident	118 Å²	118	51.1 Å²	51.1	45%	0.445	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-40.1	175.8	-177.5	177.5	174.1	-169.5	-2.1	111.8	M846 T854	M846-R850 WeakPolarHBondContact O-CB 3.42Å; M846-R850 PolarHBondContact O-N 3.27Å; R850-T854 WeakPolarHBondContact O-CB 3.25Å; R850-T854 PolarHBondContact O-N 3.19Å; R850-T854 PolarHBondContact O-OG1 2.88Å
851	C	87.8	Confident	77.3	Confident	20 Å²	20	52.7 Å²	52.7	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-46.1	173	178.6	0	0	0	0	111.7	L847 H849 L855 V884 L887	L847-C851 WeakPolarHBondContact O-CB 3.39Å; L847-C851 PolarHBondContact O-N 2.71Å; H849-C851 VanDerWaalsContact C-N 3.27Å; H849-C851 PolarHBondContact O-N 3.18Å; C851-L855 WeakPolarHBondContact O-CB 3.4Å; C851-L855 VanDerWaalsContact O-CG 3.3Å; C851-L855 WeakPolarHBondContact O-CG 3.27Å; C851-L855 PolarHBondContact O-N 3.34Å; C851-L855 VanDerWaalsContact O-N 3.09Å; C851-V884 HydrophobicContact CB-CB 4Å; C851-V884 HydrophobicContact CB-CG1 4.29Å; C851-V884 HydrophobicContact CB-CG2 3.67Å; C851-L887 HydrophobicContact CB-CD1 4.45Å
852	F	85.9	Confident	75.7	Confident	31 Å²	31	54.5 Å²	54.5	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-58.3	175.7	-175.3	-113.6	0	0	0	111.9	S848 H849 T854 L855 T856 K867 L869 L887 T889	S848-F852 PolarHBondContact O-N 2.82Å; H849-F852 CarbonylContact O-C 3.55Å; H849-F852 WeakPolarHBondContact O-CA 3.24Å; H849-F852 WeakPolarHBondContact O-CB 3.25Å; H849-F852 PolarHBondContact O-N 2.88Å; F852-T854 VanDerWaalsContact C-N 3.33Å; F852-T854 PolarHBondContact O-N 2.86Å; F852-L855 CarbonylContact O-C 3.57Å; F852-L855 PolarHBondContact O-N 3.06Å; F852-T856 HydrophobicContact CD2-CG2 4.03Å; F852-T856 HydrophobicContact CE1-CG2 4.15Å; F852-T856 HydrophobicContact CE2-CG2 3.6Å; F852-T856 HydrophobicContact CG-CG2 4.47Å; F852-T856 HydrophobicContact CZ-CG2 3.68Å; F852-T856 PolarHBondContact O-N 3.09Å; F852-T856 PolarHBondContact O-OG1 3.02Å; F852-K867 HydrophobicContact CZ-CD 4.03Å; F852-L869 HydrophobicContact CB-CD1 4.18Å; F852-L869 HydrophobicContact CB-CD2 3.97Å; F852-L869 HydrophobicContact CD2-CD1 3.93Å; F852-L869 HydrophobicContact CG-CD1 4.11Å; F852-L869 HydrophobicContact CG-CD2 4.25Å; F852-L887 HydrophobicContact CB-CD1 3.83Å; F852-L887 HydrophobicContact CD2-CD1 4.14Å; F852-L887 HydrophobicContact CD2-CD2 3.9Å; F852-L887 HydrophobicContact CG-CD1 4.49Å; F852-T889 HydrophobicContact CD2-CG2 4.11Å; F852-T889 HydrophobicContact CE2-CG2 3.53Å; F852-T889 HydrophobicContact CZ-CG2 4.2Å
853	D	81.6	Confident	74.7	Confident	49 Å²	49	53.8 Å²	53.8	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-41.1	-177.2	-70.3	-42.9	0	0	0	111.3	R790 H849 L855 T856 N857	R790-D853 IonicContact NH1-OD1 3.9Å; H849-D853 PolarHBondContact O-N 2.81Å; D853-L855 VanDerWaalsContact C-N 3.3Å; D853-L855 PolarHBondContact O-N 3.36Å; D853-T856 PolarHBondContact O-N 3.06Å; D853-T856 PolarHBondContact O-OG1 3.05Å; D853-N857 WeakPolarHBondContact O-CB 3.15Å; D853-N857 PolarHBondContact O-N 3.12Å; D853-N857 PolarHBondContact O-ND2 3.01Å
854	T	82.5	Confident	73.5	Confident	72 Å²	72	54.6 Å²	54.6	44%	0.442	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-40.3	175	-60.4	0	0	0	0	112.1	R850 F852	R850-T854 WeakPolarHBondContact O-CB 3.25Å; R850-T854 PolarHBondContact O-N 3.19Å; R850-T854 PolarHBondContact O-OG1 2.88Å; F852-T854 VanDerWaalsContact C-N 3.33Å; F852-T854 PolarHBondContact O-N 2.86Å
855	L	81.3	Confident	72	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-79.9	-27.1	179.4	-68.5	167.6	0	0	0	113.2	C851 F852 D853 S858 W1128 Y1134 L1136	C851-L855 WeakPolarHBondContact O-CB 3.4Å; C851-L855 VanDerWaalsContact O-CG 3.3Å; C851-L855 WeakPolarHBondContact O-CG 3.27Å; C851-L855 PolarHBondContact O-N 3.34Å; C851-L855 VanDerWaalsContact O-N 3.09Å; F852-L855 CarbonylContact O-C 3.57Å; F852-L855 PolarHBondContact O-N 3.06Å; D853-L855 VanDerWaalsContact C-N 3.3Å; D853-L855 PolarHBondContact O-N 3.36Å; L855-S858 PolarHBondContact O-OG 2.89Å; L855-S858 VanDerWaalsContact O-OG 3.08Å; L855-W1128 HydrophobicContact CD1-CB 4.38Å; L855-W1128 HydrophobicContact CD1-CD2 3.54Å; L855-W1128 HydrophobicContact CD1-CE3 3.96Å; L855-W1128 HydrophobicContact CD1-CG 3.73Å; L855-W1128 HydrophobicContact CD1-CZ2 4.27Å; L855-W1128 HydrophobicContact CD1-CZ3 4.49Å; L855-Y1134 HydrophobicContact CD2-CD1 4.48Å; L855-L1136 HydrophobicContact CB-CD1 4.14Å; L855-L1136 HydrophobicContact CB-CD2 3.88Å; L855-L1136 HydrophobicContact CB-CG 4.14Å; L855-L1136 HydrophobicContact CD1-CD2 4.09Å; L855-L1136 HydrophobicContact CG-CD2 4.4Å; L855-L1136 VanDerWaalsContact O-CD1 3.28Å; L855-L1136 WeakPolarHBondContact O-CD1 3.32Å
856	T	76.3	Confident	71	Confident	20 Å²	20	60.7 Å²	60.7	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-89.9	-25.6	178.5	56.6	0	0	0	0	114	F852 D853 S858 F859 L863 L1136	F852-T856 HydrophobicContact CD2-CG2 4.03Å; F852-T856 HydrophobicContact CE1-CG2 4.15Å; F852-T856 HydrophobicContact CE2-CG2 3.6Å; F852-T856 HydrophobicContact CG-CG2 4.47Å; F852-T856 HydrophobicContact CZ-CG2 3.68Å; F852-T856 PolarHBondContact O-N 3.09Å; F852-T856 PolarHBondContact O-OG1 3.02Å; D853-T856 PolarHBondContact O-N 3.06Å; D853-T856 PolarHBondContact O-OG1 3.05Å; T856-S858 PolarHBondContact O-N 3.03Å; T856-S858 VanDerWaalsContact O-N 3.15Å; T856-F859 CarbonylContact O-C 3.52Å; T856-F859 PolarHBondContact O-N 3.09Å; T856-L863 HydrophobicContact CG2-CD1 3.69Å; T856-L1136 HydrophobicContact CG2-CD1 4.23Å
857	N	69.8	Low	70.7	Confident	130 Å²	130	58.6 Å²	58.6	70%	0.695	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.4	177.1	-76.4	-24.8	0	0	0	113.2	D853	D853-N857 WeakPolarHBondContact O-CB 3.15Å; D853-N857 PolarHBondContact O-N 3.12Å; D853-N857 PolarHBondContact O-ND2 3.01Å
858	S	55.9	Low	70.8	Confident	69 Å²	69	58.7 Å²	58.7	48%	0.483	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-12.7	170.6	46	0	0	0	0	114.4	L855 T856	L855-S858 PolarHBondContact O-OG 2.89Å; L855-S858 VanDerWaalsContact O-OG 3.08Å; T856-S858 PolarHBondContact O-N 3.03Å; T856-S858 VanDerWaalsContact O-N 3.15Å
859	F	53.3	Low	71	Confident	86 Å²	86	59 Å²	59	38%	0.377	31%	0.314	S	S	.	.	S	Bend	trans	-137.8	83.6	-168.7	-69.8	-72.7	0	0	0	114.5	T856 L863 Y1134 L1136	T856-F859 CarbonylContact O-C 3.52Å; T856-F859 PolarHBondContact O-N 3.09Å; F859-L863 WeakPolarHBondContact O-CD1 3.32Å; F859-Y1134 WeakPolarHBondContact CE2-O 3.4Å; F859-L1136 HydrophobicContact CD2-CD1 4.44Å
860	Q	54.4	Low	71.6	Confident	141 Å²	141	55.4 Å²	55.4	66%	0.659	30%	0.298	S	S	*	.			trans	67.1	143.1	154.8	-63.7	-171.3	-8.8	0	0	121.3	S862 L863	Q860-S862 VanDerWaalsContact CB-OG 3.25Å; Q860-S862 WeakPolarHBondContact CB-OG 3.28Å; Q860-S862 PolarHBondContact O-N 2.77Å; Q860-S862 VanDerWaalsContact O-N 3.11Å; Q860-S862 PolarHBondContact OE1-OG 2.81Å; Q860-L863 PolarHBondContact O-N 2.65Å
861	P	47.7	Very low	72.4	Confident	92 Å²	92	49.8 Å²	49.8	60%	0.597	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59.1	-17.4	166.7	-24.5	34.9	0	0	0	115.6	L863 L864	P861-L863 PolarHBondContact O-N 3.02Å; P861-L863 VanDerWaalsContact O-N 3.13Å; P861-L864 HydrophobicContact CB-CD1 3.93Å; P861-L864 WeakPolarHBondContact O-CB 3.3Å; P861-L864 WeakPolarHBondContact O-CG 3.4Å; P861-L864 PolarHBondContact O-N 2.94Å
862	S	52.6	Low	72.9	Confident	52 Å²	52	48.9 Å²	48.9	36%	0.364	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-56.8	-27.2	176	56.1	0	0	0	0	112.3	Q860 K1122	Q860-S862 VanDerWaalsContact CB-OG 3.25Å; Q860-S862 WeakPolarHBondContact CB-OG 3.28Å; Q860-S862 PolarHBondContact O-N 2.77Å; Q860-S862 VanDerWaalsContact O-N 3.11Å; Q860-S862 PolarHBondContact OE1-OG 2.81Å; S862-K1122 PolarHBondContact O-NZ 3.19Å
863	L	60.3	Low	73.5	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.063	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-84.4	-5.7	179	-63.4	-171.7	0	0	0	115.4	T856 F859 Q860 P861 K867 V1126 L1136 I1138	T856-L863 HydrophobicContact CG2-CD1 3.69Å; F859-L863 WeakPolarHBondContact O-CD1 3.32Å; Q860-L863 PolarHBondContact O-N 2.65Å; P861-L863 PolarHBondContact O-N 3.02Å; P861-L863 VanDerWaalsContact O-N 3.13Å; L863-K867 WeakPolarHBondContact O-CE 3.39Å; L863-K867 PolarHBondContact O-NZ 3.36Å; L863-V1126 HydrophobicContact CD1-CG2 4.35Å; L863-V1126 HydrophobicContact CD2-CG2 3.8Å; L863-L1136 HydrophobicContact CD1-CD1 4.18Å; L863-I1138 HydrophobicContact CD2-CD1 3.76Å; L863-I1138 HydrophobicContact CD2-CG1 4.07Å; L863-I1138 HydrophobicContact CD2-CG2 4.48Å; L863-I1138 HydrophobicContact CG-CD1 4.34Å
864	L	55.1	Low	74.3	Confident	56 Å²	56	45.5 Å²	45.5	29%	0.293	25%	0.254	S	S	.	.			trans	-63.3	160.6	176.9	-66.4	172	0	0	0	112.8	V772 P861 K1122	V772-L864 HydrophobicContact CG1-CD1 3.98Å; P861-L864 HydrophobicContact CB-CD1 3.93Å; P861-L864 WeakPolarHBondContact O-CB 3.3Å; P861-L864 WeakPolarHBondContact O-CG 3.4Å; P861-L864 PolarHBondContact O-N 2.94Å; L864-K1122 WeakPolarHBondContact O-CD 3.25Å; L864-K1122 WeakPolarHBondContact O-CE 3.13Å; L864-K1122 PolarHBondContact O-NZ 3.26Å
865	G	58.1	Low	74.9	Confident	43 Å²	43	43.1 Å²	43.1	44%	0.443	24%	0.237	S	C	.	.	S	Bend	trans	86.7	175.4	177	0	0	0	0	0	114.4	K867	G865-K867 PolarHBondContact O-N 3.45Å
866	R	64.1	Low	75.5	Confident	95 Å²	95	48.1 Å²	48.1	36%	0.358	26%	0.258	S	S	.	.			trans	-69	129.7	-161.2	-161.5	-171.9	-164.8	-172.6	12.4	114.2	Q1117 K1122	R866-Q1117 PolarHBondContact NH1-O 2.77Å; R866-K1122 PolarHBondContact O-N 3.47Å
867	K	76.1	Confident	76.1	Confident	31 Å²	31	50.5 Å²	50.5	14%	0.135	27%	0.27	C	S	.	.			trans	-133	154.9	174.1	-71.6	166.3	175.6	168.5	0	110.8	F852 L863 G865 T889	F852-K867 HydrophobicContact CZ-CD 4.03Å; L863-K867 WeakPolarHBondContact O-CE 3.39Å; L863-K867 PolarHBondContact O-NZ 3.36Å; G865-K867 PolarHBondContact O-N 3.45Å; K867-T889 HydrophobicContact CD-CG2 4.35Å
868	I	88.4	Confident	76.6	Confident	31 Å²	31	48.6 Å²	48.6	16%	0.159	27%	0.267	C	S	.	.			trans	-84.3	134.5	154.2	-58.1	-177.7	0	0	0	106.7	T889 G890 N891 A911 I961 T963	I868-T889 WeakPolarHBondContact O-CA 3.2Å; I868-T889 VanDerWaalsContact O-CB 3.25Å; I868-T889 WeakPolarHBondContact O-CB 3.25Å; I868-G890 PolarHBondContact O-N 3.45Å; I868-G890 VanDerWaalsContact O-N 3.11Å; I868-N891 HydrophobicContact CD1-CB 3.79Å; I868-N891 HydrophobicContact CG1-CB 4.35Å; I868-A911 HydrophobicContact CB-CB 4.24Å; I868-A911 HydrophobicContact CG2-CB 3.79Å; I868-A911 WeakPolarHBondContact O-CB 3.47Å; I868-I961 HydrophobicContact CG2-CG2 4.3Å; I868-T963 HydrophobicContact CD1-CG2 3.74Å; I868-T963 HydrophobicContact CG1-CG2 4Å; I868-T963 HydrophobicContact CG2-CG2 3.99Å
869	L	92.7	Very high	77.9	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.4	174.5	173.3	64.9	0	0	0	109.2	H849 F852 L887 T889 Y960 S962	H849-L869 WeakPolarHBondContact ND1-CD2 3.02Å; F852-L869 HydrophobicContact CB-CD1 4.18Å; F852-L869 HydrophobicContact CB-CD2 3.97Å; F852-L869 HydrophobicContact CD2-CD1 3.93Å; F852-L869 HydrophobicContact CG-CD1 4.11Å; F852-L869 HydrophobicContact CG-CD2 4.25Å; L869-L887 HydrophobicContact CD1-CD1 3.89Å; L869-L887 HydrophobicContact CD1-CD2 3.9Å; L869-L887 HydrophobicContact CD1-CG 3.74Å; L869-T889 HydrophobicContact CD1-CG2 3.91Å; L869-Y960 HydrophobicContact CD2-CE1 4.28Å; L869-Y960 HydrophobicContact CG-CE1 4.43Å; L869-S962 PolarHBondContact N-OG 2.88Å; L869-S962 PolarHBondContact O-N 2.94Å; L869-S962 PolarHBondContact O-OG 3.38Å
870	A	97.6	Very high	79.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.6	167.5	0	0	0	0	0	110.2	G888 A911 E912 Y960 I961	A870-G888 PolarHBondContact N-O 2.94Å; A870-G888 PolarHBondContact O-N 3.41Å; A870-G888 VanDerWaalsContact O-O 3.13Å; A870-A911 VanDerWaalsContact CB-C 3.5Å; A870-A911 HydrophobicContact CB-CB 3.71Å; A870-E912 HydrophobicContact CB-CB 4.02Å; A870-Y960 CarbonylContact C-O 3.56Å; A870-Y960 WeakPolarHBondContact CA-O 3.31Å; A870-Y960 WeakPolarHBondContact CB-O 3.33Å; A870-I961 HydrophobicContact CB-CG1 4.5Å; A870-I961 HydrophobicContact CB-CG2 4.23Å
871	A	98.3	Very high	80.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.3	-178.6	0	0	0	0	0	111.1	S848 I873 V884 S886 S915 L959 Y960	S848-A871 WeakPolarHBondContact OG-CB 3.11Å; A871-I873 HydrophobicContact CB-CD1 4.23Å; A871-V884 HydrophobicContact CB-CG1 3.97Å; A871-S886 CarbonylContact C-O 3.47Å; A871-S886 VanDerWaalsContact CA-O 3.26Å; A871-S886 WeakPolarHBondContact CA-O 3.41Å; A871-S915 WeakPolarHBondContact CA-OG 3.48Å; A871-L959 WeakPolarHBondContact O-CA 3.35Å; A871-Y960 PolarHBondContact N-O 2.69Å; A871-Y960 PolarHBondContact O-N 3.12Å
872	I	98.8	Very high	82.9	Confident	2 Å²	2	43 Å²	43	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.7	170.2	-67.4	166.4	0	0	0	107.4	V885 S886 S915 R916 F919 F957 H958 L959	I872-V885 HydrophobicContact CB-CG2 4.33Å; I872-V885 HydrophobicContact CG2-CG2 3.82Å; I872-V885 VanDerWaalsContact O-CG2 3.22Å; I872-V885 WeakPolarHBondContact O-CG2 3.44Å; I872-V885 PolarHBondContact O-N 3.47Å; I872-S886 PolarHBondContact N-O 3.14Å; I872-S886 PolarHBondContact O-N 2.87Å; I872-S915 PolarHBondContact N-OG 3.06Å; I872-R916 HydrophobicContact CD1-CB 4.48Å; I872-F919 HydrophobicContact CD1-CB 3.66Å; I872-F919 HydrophobicContact CD1-CD1 4.23Å; I872-F919 HydrophobicContact CD1-CG 3.93Å; I872-F919 HydrophobicContact CG2-CD2 3.91Å; I872-F919 HydrophobicContact CG2-CE2 4.21Å; I872-F919 HydrophobicContact CG2-CG 4.3Å; I872-F957 HydrophobicContact CG2-CB 4.26Å; I872-F957 HydrophobicContact CG2-CD1 4.27Å; I872-H958 CarbonylContact C-O 3.57Å; I872-H958 WeakPolarHBondContact CA-O 3.08Å; I872-L959 HydrophobicContact CG1-CD1 3.83Å
873	I	98.4	Very high	84.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.5	176.5	-55.7	66.6	0	0	0	107.1	I844 L847 S848 A871 V883 V884 F957 H958	I844-I873 HydrophobicContact CD1-CB 3.95Å; I844-I873 HydrophobicContact CD1-CG1 4.03Å; I844-I873 HydrophobicContact CD1-CG2 3.97Å; I844-I873 HydrophobicContact CG2-CD1 3.86Å; I844-I873 HydrophobicContact CG2-CG1 4.4Å; L847-I873 HydrophobicContact CD1-CG2 4.24Å; S848-I873 WeakPolarHBondContact OG-CD1 3.47Å; A871-I873 HydrophobicContact CB-CD1 4.23Å; I873-V883 CarbonylContact C-O 3.56Å; I873-V883 WeakPolarHBondContact CA-O 3.36Å; I873-V884 HydrophobicContact CG1-CG2 4.28Å; I873-F957 CarbonylContact O-C 3.59Å; I873-F957 WeakPolarHBondContact O-CA 3.49Å; I873-H958 HydrophobicContact CB-CB 4.35Å; I873-H958 PolarHBondContact N-O 3.46Å; I873-H958 PolarHBondContact O-N 3.03Å
874	M	98.1	Very high	86.7	Confident	9 Å²	9	43.1 Å²	43.1	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.3	170.1	-179.7	179.7	76.3	0	0	109	K876 G882 V883 V885 F922 I939 V955 S956 F957	M874-K876 HydrophobicContact CE-CG 4.46Å; M874-G882 CarbonylContact O-C 3.52Å; M874-G882 WeakPolarHBondContact O-CA 3.44Å; M874-V883 HydrophobicContact CB-CG1 4.35Å; M874-V883 HydrophobicContact CE-CG1 3.82Å; M874-V883 PolarHBondContact N-O 3.13Å; M874-V883 PolarHBondContact O-N 3.29Å; M874-V885 HydrophobicContact CB-CG1 3.56Å; M874-V885 HydrophobicContact CB-CG2 4.18Å; M874-V885 HydrophobicContact CE-CG1 4.15Å; M874-V885 HydrophobicContact CG-CG1 4.48Å; M874-V885 HydrophobicContact SD-CG1 4.15Å; M874-F922 HydrophobicContact CE-CZ 4.36Å; M874-F922 HydrophobicContact SD-CE1 4.25Å; M874-F922 HydrophobicContact SD-CZ 3.9Å; M874-I939 HydrophobicContact CE-CG2 4.17Å; M874-I939 HydrophobicContact SD-CG2 3.65Å; M874-V955 HydrophobicContact CG-CG1 3.9Å; M874-V955 HydrophobicContact SD-CG1 4.09Å; M874-S956 WeakPolarHBondContact CA-O 3.4Å; M874-F957 HydrophobicContact CB-CD1 3.82Å; M874-F957 HydrophobicContact CB-CE1 3.67Å; M874-F957 HydrophobicContact CG-CD1 3.99Å; M874-F957 HydrophobicContact CG-CE1 3.48Å; M874-F957 VanDerWaalsContact CG-CE1 3.48Å; M874-F957 HydrophobicContact CG-CZ 4.23Å; M874-F957 HydrophobicContact SD-CE1 3.72Å; M874-F957 HydrophobicContact SD-CZ 4.18Å
875	K	95.9	Very high	88.8	Confident	21 Å²	21	40.4 Å²	40.4	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.7	161.3	-69.9	176.9	51.7	100.9	0	108.4	F840 D877 S878 D880 V955 S956	F840-K875 HydrophobicContact CE2-CD 4.39Å; K875-D877 WeakPolarHBondContact CB-O 3.48Å; K875-D877 WeakPolarHBondContact CE-O 3.44Å; K875-S878 VanDerWaalsContact CE-O 3.31Å; K875-S878 WeakPolarHBondContact CE-O 3.45Å; K875-S878 PolarHBondContact NZ-O 3.4Å; K875-D880 WeakPolarHBondContact CA-OD2 3.5Å; K875-D880 WeakPolarHBondContact CD-O 3.35Å; K875-D880 WeakPolarHBondContact CE-O 3.3Å; K875-D880 VanDerWaalsContact CG-O 3.3Å; K875-D880 WeakPolarHBondContact CG-O 3.13Å; K875-D880 PolarHBondContact NZ-O 3.14Å; K875-V955 CarbonylContact O-C 3.11Å; K875-V955 WeakPolarHBondContact O-CA 3.48Å; K875-S956 PolarHBondContact N-O 3.33Å; K875-S956 PolarHBondContact O-N 3.06Å
876	K	92.5	Very high	90.7	Very high	113 Å²	113	38.4 Å²	38.4	49%	0.491	20%	0.195	S	C	.	.	S	Bend	trans	-82.3	-24.7	177.5	-73.4	-172.5	174.7	-172.9	0	113.8	M874 D880 A954 V955	M874-K876 HydrophobicContact CE-CG 4.46Å; K876-D880 PolarHBondContact N-OD2 3.45Å; K876-A954 CarbonylContact C-O 3.54Å; K876-A954 CarbonylContact O-C 3.56Å; K876-A954 WeakPolarHBondContact O-CB 3.38Å; K876-A954 VanDerWaalsContact O-O 3.12Å; K876-V955 PolarHBondContact O-N 3.13Å
877	D	89.4	Confident	92.2	Very high	70 Å²	70	33.9 Å²	33.9	37%	0.374	18%	0.178	S	C	.	.	S	Bend	trans	-154.6	-167.7	-179.2	54.2	71.5	0	0	0	109.3	K875 E879 D880 A954	K875-D877 WeakPolarHBondContact CB-O 3.48Å; K875-D877 WeakPolarHBondContact CE-O 3.44Å; D877-E879 PolarHBondContact OD1-N 3.37Å; D877-D880 PolarHBondContact OD1-N 3.49Å; D877-A954 HydrophobicContact CB-CB 4.47Å
878	S	81.7	Confident	93.2	Very high	89 Å²	89	32.4 Å²	32.4	62%	0.622	17%	0.172	S	C	*	.	S	Bend	trans	-75.8	-28.9	-179.1	51.1	0	0	0	0	113.9	K875	K875-S878 VanDerWaalsContact CE-O 3.31Å; K875-S878 WeakPolarHBondContact CE-O 3.45Å; K875-S878 PolarHBondContact NZ-O 3.4Å
879	E	82.3	Confident	93.4	Very high	152 Å²	152	31 Å²	31	71%	0.71	16%	0.164	S	C	*	.	S	Bend	trans	-97.1	-27.9	-171.5	-49.1	-42.9	119.3	0	0	112.4	D877 M881	D877-E879 PolarHBondContact OD1-N 3.37Å; E879-M881 PolarHBondContact O-N 3.44Å; E879-M881 VanDerWaalsContact O-N 3.13Å
880	D	86.6	Confident	93.4	Very high	47 Å²	47	30.7 Å²	30.7	25%	0.251	16%	0.163	S	C	.	.			trans	-49	117.7	173.3	173.6	18.3	0	0	0	111	K875 K876 D877 G882	K875-D880 WeakPolarHBondContact CA-OD2 3.5Å; K875-D880 WeakPolarHBondContact CD-O 3.35Å; K875-D880 WeakPolarHBondContact CE-O 3.3Å; K875-D880 VanDerWaalsContact CG-O 3.3Å; K875-D880 WeakPolarHBondContact CG-O 3.13Å; K875-D880 PolarHBondContact NZ-O 3.14Å; K876-D880 PolarHBondContact N-OD2 3.45Å; D877-D880 PolarHBondContact OD1-N 3.49Å; D880-G882 PolarHBondContact O-N 3.13Å; D880-G882 WeakPolarHBondContact OD1-CA 3.35Å; D880-G882 PolarHBondContact OD1-N 3.5Å
881	M	82.3	Confident	93.1	Very high	61 Å²	61	31 Å²	31	30%	0.3	17%	0.165	S	C	.	.			trans	-51.9	-31.3	175.3	-75.2	-58.5	-48.1	0	0	112.5	L835 Q843 L847 E879	L835-M881 HydrophobicContact CD1-CE 3.45Å; L835-M881 VanDerWaalsContact CD1-CE 3.45Å; L835-M881 HydrophobicContact CD1-SD 3.74Å; Q843-M881 HydrophobicContact CB-CE 4.26Å; Q843-M881 HydrophobicContact CG-CE 4.14Å; L847-M881 WeakPolarHBondContact CD1-O 3.34Å; E879-M881 PolarHBondContact O-N 3.44Å; E879-M881 VanDerWaalsContact O-N 3.13Å
882	G	91.7	Very high	92.7	Very high	10 Å²	10	31.8 Å²	31.8	10%	0.103	17%	0.168	C	C	.	.			trans	95.6	153.2	175.2	0	0	0	0	0	113.7	M874 D880	M874-G882 CarbonylContact O-C 3.52Å; M874-G882 WeakPolarHBondContact O-CA 3.44Å; D880-G882 PolarHBondContact O-N 3.13Å; D880-G882 WeakPolarHBondContact OD1-CA 3.35Å; D880-G882 PolarHBondContact OD1-N 3.5Å
883	V	95.4	Very high	92.4	Very high	57 Å²	57	32.7 Å²	32.7	35%	0.345	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.3	-177.3	62.6	0	0	0	0	111.1	I873 M874 V885 L1130	I873-V883 CarbonylContact C-O 3.56Å; I873-V883 WeakPolarHBondContact CA-O 3.36Å; M874-V883 HydrophobicContact CB-CG1 4.35Å; M874-V883 HydrophobicContact CE-CG1 3.82Å; M874-V883 PolarHBondContact N-O 3.13Å; M874-V883 PolarHBondContact O-N 3.29Å; V883-V885 HydrophobicContact CG1-CG1 4.18Å; V883-V885 PolarHBondContact O-N 3.05Å; V883-V885 VanDerWaalsContact O-N 3.17Å; V883-L1130 HydrophobicContact CG2-CD1 4.49Å; V883-L1130 HydrophobicContact CG2-CD2 4.24Å
884	V	97.3	Very high	92.1	Very high	10 Å²	10	32.8 Å²	32.8	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	113.3	173.4	-174.5	0	0	0	0	108.9	L847 C851 A871 I873 W1128	L847-V884 HydrophobicContact CB-CG2 4.18Å; L847-V884 WeakPolarHBondContact O-CG2 3.27Å; C851-V884 HydrophobicContact CB-CB 4Å; C851-V884 HydrophobicContact CB-CG1 4.29Å; C851-V884 HydrophobicContact CB-CG2 3.67Å; A871-V884 HydrophobicContact CB-CG1 3.97Å; I873-V884 HydrophobicContact CG1-CG2 4.28Å; V884-W1128 HydrophobicContact CB-CZ3 4.46Å; V884-W1128 HydrophobicContact CG1-CZ3 4.11Å; V884-W1128 WeakPolarHBondContact O-CH2 3.21Å; V884-W1128 WeakPolarHBondContact O-CZ3 3.35Å
885	V	98.2	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-23.6	179.5	-69.2	0	0	0	0	112.8	I872 M874 V883 F919 F922 F957 C1129 L1130	I872-V885 HydrophobicContact CB-CG2 4.33Å; I872-V885 HydrophobicContact CG2-CG2 3.82Å; I872-V885 VanDerWaalsContact O-CG2 3.22Å; I872-V885 WeakPolarHBondContact O-CG2 3.44Å; I872-V885 PolarHBondContact O-N 3.47Å; M874-V885 HydrophobicContact CB-CG1 3.56Å; M874-V885 HydrophobicContact CB-CG2 4.18Å; M874-V885 HydrophobicContact CE-CG1 4.15Å; M874-V885 HydrophobicContact CG-CG1 4.48Å; M874-V885 HydrophobicContact SD-CG1 4.15Å; V883-V885 HydrophobicContact CG1-CG1 4.18Å; V883-V885 PolarHBondContact O-N 3.05Å; V883-V885 VanDerWaalsContact O-N 3.17Å; V885-F919 HydrophobicContact CG2-CD2 3.82Å; V885-F919 HydrophobicContact CG2-CE2 4.12Å; V885-F922 HydrophobicContact CB-CD1 3.97Å; V885-F922 HydrophobicContact CB-CD2 4.18Å; V885-F922 HydrophobicContact CB-CE1 4.01Å; V885-F922 HydrophobicContact CB-CE2 4.23Å; V885-F922 HydrophobicContact CB-CG 4.05Å; V885-F922 HydrophobicContact CB-CZ 4.14Å; V885-F922 HydrophobicContact CG1-CD1 4.34Å; V885-F922 HydrophobicContact CG1-CD2 4.3Å; V885-F922 HydrophobicContact CG1-CE1 3.89Å; V885-F922 HydrophobicContact CG1-CE2 3.85Å; V885-F922 HydrophobicContact CG1-CZ 3.62Å; V885-F922 HydrophobicContact CG2-CD1 4.28Å; V885-F922 HydrophobicContact CG2-CE1 4.32Å; V885-F957 HydrophobicContact CG2-CD1 4.44Å; V885-F957 HydrophobicContact CG2-CE1 4.49Å; V885-C1129 CarbonylContact O-C 3.56Å; V885-C1129 VanDerWaalsContact O-CA 3.3Å; V885-C1129 WeakPolarHBondContact O-CA 3.49Å; V885-C1129 VanDerWaalsContact O-CB 3.32Å; V885-C1129 WeakPolarHBondContact O-CB 3.27Å; V885-L1130 HydrophobicContact CG1-CD2 4.21Å; V885-L1130 PolarHBondContact O-N 3.47Å
886	S	98.4	Very high	91	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	146.5	169.2	-173.6	0	0	0	0	114.4	A871 I872 S915 G918 F919 W1128	A871-S886 CarbonylContact C-O 3.47Å; A871-S886 VanDerWaalsContact CA-O 3.26Å; A871-S886 WeakPolarHBondContact CA-O 3.41Å; I872-S886 PolarHBondContact N-O 3.14Å; I872-S886 PolarHBondContact O-N 2.87Å; S886-S915 WeakPolarHBondContact CB-O 3.46Å; S886-S915 PolarHBondContact O-OG 3.14Å; S886-S915 VanDerWaalsContact O-OG 3.09Å; S886-S915 PolarHBondContact OG-O 3.35Å; S886-G918 WeakPolarHBondContact OG-CA 3.37Å; S886-F919 VanDerWaalsContact CB-N 3.28Å; S886-F919 PolarHBondContact OG-N 3.44Å; S886-F919 VanDerWaalsContact OG-N 3.17Å; S886-W1128 WeakPolarHBondContact CA-O 3.32Å; S886-W1128 PolarHBondContact OG-O 3.03Å
887	L	96.8	Very high	90.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.6	-176.5	-175.2	150.8	0	0	0	110.6	C851 F852 L869 T889 W1128	C851-L887 HydrophobicContact CB-CD1 4.45Å; F852-L887 HydrophobicContact CB-CD1 3.83Å; F852-L887 HydrophobicContact CD2-CD1 4.14Å; F852-L887 HydrophobicContact CD2-CD2 3.9Å; F852-L887 HydrophobicContact CG-CD1 4.49Å; L869-L887 HydrophobicContact CD1-CD1 3.89Å; L869-L887 HydrophobicContact CD1-CD2 3.9Å; L869-L887 HydrophobicContact CD1-CG 3.74Å; L887-T889 HydrophobicContact CD2-CG2 4.26Å; L887-W1128 HydrophobicContact CB-CB 4.48Å; L887-W1128 HydrophobicContact CB-CE3 3.99Å; L887-W1128 PolarHBondContact N-O 3.1Å; L887-W1128 PolarHBondContact O-N 2.93Å
888	G	96.1	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.9	172.4	0	0	0	0	0	112.5	A870 A911 V1126	A870-G888 PolarHBondContact N-O 2.94Å; A870-G888 PolarHBondContact O-N 3.41Å; A870-G888 VanDerWaalsContact O-O 3.13Å; G888-A911 WeakPolarHBondContact O-CB 3.49Å; G888-V1126 CarbonylContact C-O 3.32Å; G888-V1126 WeakPolarHBondContact CA-O 3.44Å
889	T	93.9	Very high	91.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.1	168.5	77.9	0	0	0	0	112.2	F852 K867 I868 L869 L887 S1125 V1126	F852-T889 HydrophobicContact CD2-CG2 4.11Å; F852-T889 HydrophobicContact CE2-CG2 3.53Å; F852-T889 HydrophobicContact CZ-CG2 4.2Å; K867-T889 HydrophobicContact CD-CG2 4.35Å; I868-T889 WeakPolarHBondContact O-CA 3.2Å; I868-T889 VanDerWaalsContact O-CB 3.25Å; I868-T889 WeakPolarHBondContact O-CB 3.25Å; L869-T889 HydrophobicContact CD1-CG2 3.91Å; L887-T889 HydrophobicContact CD2-CG2 4.26Å; T889-S1125 VanDerWaalsContact O-CA 3.28Å; T889-S1125 WeakPolarHBondContact O-CA 3.42Å; T889-S1125 VanDerWaalsContact O-CB 3.25Å; T889-S1125 WeakPolarHBondContact O-CB 3.27Å; T889-S1125 PolarHBondContact O-OG 3.02Å; T889-V1126 HydrophobicContact CG2-CB 4.19Å; T889-V1126 PolarHBondContact N-O 3.37Å; T889-V1126 PolarHBondContact OG1-N 3.11Å
890	G	91.1	Very high	91.6	Very high	2 Å²	2	24 Å²	24	2%	0.021	13%	0.133	C	C	.	.			trans	118.2	172.3	170.4	0	0	0	0	0	113.7	I868 C909 H910 A911	I868-G890 PolarHBondContact O-N 3.45Å; I868-G890 VanDerWaalsContact O-N 3.11Å; G890-C909 CarbonylContact C-O 3.53Å; G890-C909 WeakPolarHBondContact CA-O 3.43Å; G890-H910 WeakPolarHBondContact O-CA 3.18Å; G890-A911 PolarHBondContact O-N 3.13Å
891	N	90.8	Very high	91.9	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	30.1	-178.3	71.6	-28.6	0	0	0	113.5	I868 C909 H910 E1008 T1121	I868-N891 HydrophobicContact CD1-CB 3.79Å; I868-N891 HydrophobicContact CG1-CB 4.35Å; N891-C909 PolarHBondContact N-O 3.24Å; N891-H910 VanDerWaalsContact C-CD2 3.47Å; N891-H910 PolarHBondContact O-NE2 3.02Å; N891-E1008 WeakPolarHBondContact ND2-CG 3.32Å; N891-E1008 PolarHBondContact ND2-OE2 2.99Å; N891-T1121 WeakPolarHBondContact ND2-CG2 3.46Å; N891-T1121 PolarHBondContact ND2-OG1 3.24Å; N891-T1121 WeakPolarHBondContact OD1-CB 3.48Å; N891-T1121 PolarHBondContact OD1-OG1 3.12Å
892	R	91.3	Very high	92.4	Very high	17 Å²	17	28.4 Å²	28.4	6%	0.064	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	160.3	176.8	-59.7	-66.9	175.8	-139.8	-18.2	110.8	C909 H910 E1008 T1121 E1123 G1141 T1142	R892-C909 CarbonylContact O-C 3.42Å; R892-C909 WeakPolarHBondContact O-CA 3.29Å; R892-C909 PolarHBondContact O-N 2.89Å; R892-H910 PolarHBondContact O-CD2 2.91Å; R892-E1008 IonicContact CZ-OE1 2.69Å; R892-E1008 VanDerWaalsContact CZ-OE1 3.26Å; R892-E1008 IonicContact NH1-OE1 2.81Å; R892-E1008 PolarHBondContact NH1-OE1 2.99Å; R892-E1008 IonicContact NH2-OE1 3.44Å; R892-E1008 PolarHBondContact NH2-OE1 3.39Å; R892-T1121 PolarHBondContact NH2-O 2.57Å; R892-T1121 VanDerWaalsContact NH2-O 3.11Å; R892-T1121 PolarHBondContact NH2-OG1 3.46Å; R892-E1123 HydrophobicContact CG-CB 4.11Å; R892-E1123 HydrophobicContact CG-CG 4.43Å; R892-E1123 IonicContact NE-OE1 3.15Å; R892-G1141 CarbonylContact C-O 3.55Å; R892-G1141 VanDerWaalsContact CB-O 3.3Å; R892-G1141 WeakPolarHBondContact CB-O 3.41Å; R892-T1142 HydrophobicContact CB-CG2 4.46Å; R892-T1142 HydrophobicContact CG-CG2 4.37Å
893	C	92.3	Very high	92.5	Very high	21 Å²	21	28 Å²	28	14%	0.142	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.6	168.4	-69.7	0	0	0	0	108.8	N907 D908 K1003 G1141	C893-N907 WeakPolarHBondContact CA-O 3.39Å; C893-N907 WeakPolarHBondContact CB-O 3.34Å; C893-D908 PolarHBondContact SG-OD1 3.45Å; C893-K1003 WeakPolarHBondContact SG-CD 3.35Å; C893-G1141 CarbonylContact C-O 3.57Å; C893-G1141 PolarHBondContact N-O 3.25Å
894	V	91.4	Very high	92.5	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	14%	0.14	C	C	.	.			trans	-68	153.2	179.8	-54	0	0	0	0	112	V906 N907 L1031 T1142	V894-V906 WeakPolarHBondContact CG1-O 3.44Å; V894-N907 HydrophobicContact CG2-CB 4.22Å; V894-N907 PolarHBondContact N-O 3.49Å; V894-L1031 HydrophobicContact CG2-CD2 3.68Å; V894-L1031 WeakPolarHBondContact O-CD2 3.48Å; V894-T1142 VanDerWaalsContact CA-O 3.23Å; V894-T1142 WeakPolarHBondContact CA-O 3.3Å
895	K	86.8	Confident	92.4	Very high	81 Å²	81	27.4 Å²	27.4	35%	0.352	14%	0.141	S	C	.	.			trans	-74.4	159.5	167.1	-65.2	169.7	-178	165.8	0	111.5	D897 S898 E1005 N1006 T1142	K895-D897 VanDerWaalsContact C-N 3.3Å; K895-D897 PolarHBondContact O-N 3.32Å; K895-S898 PolarHBondContact O-N 3.48Å; K895-E1005 WeakPolarHBondContact CA-OE1 3.41Å; K895-N1006 WeakPolarHBondContact CE-OD1 3.47Å; K895-N1006 WeakPolarHBondContact CG-OD1 3.32Å; K895-T1142 PolarHBondContact N-O 3.27Å; K895-T1142 VanDerWaalsContact N-O 3.14Å
896	G	85.6	Confident	92.3	Very high	6 Å²	6	27.4 Å²	27.4	6%	0.062	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-47.1	-48.7	175.1	0	0	0	0	0	113.5	S898 L899 E1005	G896-S898 PolarHBondContact O-N 3.26Å; G896-L899 WeakPolarHBondContact O-CB 3.29Å; G896-L899 PolarHBondContact O-N 3.48Å; G896-L899 VanDerWaalsContact O-N 3.11Å; G896-E1005 PolarHBondContact N-OE1 3.36Å
897	D	85.5	Confident	92.1	Very high	127 Å²	127	28.1 Å²	28.1	68%	0.679	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-63.2	-25.2	-179.2	-51.2	-54	0	0	0	114.3	K895 L899	K895-D897 VanDerWaalsContact C-N 3.3Å; K895-D897 PolarHBondContact O-N 3.32Å; D897-L899 VanDerWaalsContact C-N 3.3Å
898	S	88.6	Confident	92.1	Very high	31 Å²	31	28.3 Å²	28.3	22%	0.217	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-89.4	8.2	179.9	-64.6	0	0	0	0	113.1	K895 G896 T905	K895-S898 PolarHBondContact O-N 3.48Å; G896-S898 PolarHBondContact O-N 3.26Å; S898-T905 WeakPolarHBondContact O-CB 3.23Å; S898-T905 WeakPolarHBondContact O-CG2 3.34Å; S898-T905 PolarHBondContact O-OG1 3.13Å
899	L	90.9	Very high	92.1	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	15%	0.146	C	C	.	.			trans	-76.1	127.7	174.2	-163.8	67.3	0	0	0	110.8	G896 D897 N907 W1022 I1025 L1031 K1214 E1218	G896-L899 WeakPolarHBondContact O-CB 3.29Å; G896-L899 PolarHBondContact O-N 3.48Å; G896-L899 VanDerWaalsContact O-N 3.11Å; D897-L899 VanDerWaalsContact C-N 3.3Å; L899-N907 WeakPolarHBondContact CD1-ND2 3.5Å; L899-W1022 HydrophobicContact CB-CH2 4.06Å; L899-W1022 HydrophobicContact CB-CZ3 4.22Å; L899-W1022 HydrophobicContact CD2-CE3 3.9Å; L899-W1022 HydrophobicContact CD2-CH2 4.04Å; L899-W1022 HydrophobicContact CD2-CZ3 3.37Å; L899-W1022 HydrophobicContact CG-CH2 3.87Å; L899-W1022 HydrophobicContact CG-CZ3 3.55Å; L899-W1022 WeakPolarHBondContact O-CH2 3.29Å; L899-I1025 HydrophobicContact CD2-CD1 4.24Å; L899-I1025 HydrophobicContact CD2-CG2 4.32Å; L899-L1031 HydrophobicContact CD1-CD1 4.37Å; L899-L1031 HydrophobicContact CD1-CD2 4.32Å; L899-L1031 HydrophobicContact CD2-CD1 3.94Å; L899-K1214 HydrophobicContact CD1-CD 4.35Å; L899-E1218 HydrophobicContact CD1-CG 4.28Å; L899-E1218 WeakPolarHBondContact CD1-OE1 3.39Å; L899-E1218 HydrophobicContact CG-CG 4.36Å
900	S	92.7	Very high	92.2	Very high	16 Å²	16	28.6 Å²	28.6	11%	0.112	15%	0.147	C	C	.	.			trans	-110.1	123.6	-177.8	174.1	0	0	0	0	113.7	K902 G903 E904 T905	S900-K902 PolarHBondContact O-N 3.03Å; S900-K902 PolarHBondContact OG-N 3.32Å; S900-K902 VanDerWaalsContact OG-N 3.16Å; S900-G903 PolarHBondContact O-N 3.09Å; S900-E904 WeakPolarHBondContact OG-CB 3.37Å; S900-E904 PolarHBondContact OG-N 3.3Å; S900-E904 PolarHBondContact OG-OE2 3.16Å; S900-T905 PolarHBondContact N-OG1 3.46Å
901	L	92.8	Very high	92.4	Very high	73 Å²	73	28.5 Å²	28.5	38%	0.382	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32	169.2	-69.7	175.5	0	0	0	113.1	G903 W1022 E1217 F1221	L901-G903 VanDerWaalsContact C-N 3.25Å; L901-G903 PolarHBondContact O-N 3.23Å; L901-W1022 HydrophobicContact CB-CH2 4.5Å; L901-W1022 HydrophobicContact CD1-CZ2 4.04Å; L901-W1022 HydrophobicContact CD2-CD2 3.63Å; L901-W1022 HydrophobicContact CD2-CE3 3.66Å; L901-W1022 HydrophobicContact CD2-CG 4.42Å; L901-W1022 HydrophobicContact CD2-CH2 3.61Å; L901-W1022 HydrophobicContact CD2-CZ2 3.59Å; L901-W1022 HydrophobicContact CD2-CZ3 3.62Å; L901-W1022 HydrophobicContact CG-CD2 4.37Å; L901-W1022 HydrophobicContact CG-CH2 3.61Å; L901-W1022 HydrophobicContact CG-CZ2 3.4Å; L901-W1022 VanDerWaalsContact CG-CZ2 3.4Å; L901-W1022 HydrophobicContact CG-CZ3 4.15Å; L901-E1217 HydrophobicContact CD2-CB 3.56Å; L901-F1221 WeakPolarHBondContact O-CB 3.43Å; L901-F1221 WeakPolarHBondContact O-CD1 3.3Å
902	K	93.1	Very high	92.7	Very high	129 Å²	129	28.3 Å²	28.3	56%	0.561	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	7	-177.9	-64.4	176.2	-179.3	175.9	0	112.9	S900 E904	S900-K902 PolarHBondContact O-N 3.03Å; S900-K902 PolarHBondContact OG-N 3.32Å; S900-K902 VanDerWaalsContact OG-N 3.16Å; K902-E904 VanDerWaalsContact CB-CD 3.46Å; K902-E904 HydrophobicContact CB-CG 3.88Å; K902-E904 WeakPolarHBondContact CB-OE2 3.49Å; K902-E904 PolarHBondContact O-N 3.22Å
903	G	94.3	Very high	93.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	69.4	18	-178.8	0	0	0	0	0	114.7	S900 L901 K1158 K1159	S900-G903 PolarHBondContact O-N 3.09Å; L901-G903 VanDerWaalsContact C-N 3.25Å; L901-G903 PolarHBondContact O-N 3.23Å; G903-K1158 WeakPolarHBondContact O-CA 3.44Å; G903-K1158 WeakPolarHBondContact O-CB 3.37Å; G903-K1158 PolarHBondContact O-N 2.63Å; G903-K1159 PolarHBondContact O-N 2.97Å
904	E	94.3	Very high	93.4	Very high	43 Å²	43	27.1 Å²	27.1	20%	0.201	14%	0.138	C	C	.	.			trans	-75.5	-28.4	-169.9	-75.3	163	160.7	0	0	113.3	S900 K902 L1153 S1157 K1159	S900-E904 WeakPolarHBondContact OG-CB 3.37Å; S900-E904 PolarHBondContact OG-N 3.3Å; S900-E904 PolarHBondContact OG-OE2 3.16Å; K902-E904 VanDerWaalsContact CB-CD 3.46Å; K902-E904 HydrophobicContact CB-CG 3.88Å; K902-E904 WeakPolarHBondContact CB-OE2 3.49Å; K902-E904 PolarHBondContact O-N 3.22Å; E904-L1153 HydrophobicContact CB-CD2 3.57Å; E904-L1153 HydrophobicContact CG-CD1 4.28Å; E904-L1153 HydrophobicContact CG-CD2 3.75Å; E904-S1157 VanDerWaalsContact O-CB 3.26Å; E904-S1157 WeakPolarHBondContact O-CB 3.21Å; E904-K1159 HydrophobicContact CG-CD 3.48Å; E904-K1159 VanDerWaalsContact CG-CD 3.48Å; E904-K1159 IonicContact OE1-NZ 3.25Å; E904-K1159 PolarHBondContact OE1-NZ 3.17Å
905	T	94.5	Very high	93.7	Very high	13 Å²	13	27 Å²	27	8%	0.08	14%	0.137	C	C	.	.	S	Bend	trans	-100.3	151.6	-179.6	56.2	0	0	0	0	113.9	S898 S900 R1143 G1144 T1145 K1158	S898-T905 WeakPolarHBondContact O-CB 3.23Å; S898-T905 WeakPolarHBondContact O-CG2 3.34Å; S898-T905 PolarHBondContact O-OG1 3.13Å; S900-T905 PolarHBondContact N-OG1 3.46Å; T905-R1143 WeakPolarHBondContact CG2-O 3.4Å; T905-G1144 WeakPolarHBondContact CA-O 3.3Å; T905-T1145 HydrophobicContact CG2-CG2 3.96Å; T905-K1158 PolarHBondContact O-NZ 2.78Å
906	V	96.8	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.			trans	-95.3	96.7	177	-178.7	0	0	0	0	108.8	V894 D908 C909 I914 L1139 G1144 V1156	V894-V906 WeakPolarHBondContact CG1-O 3.44Å; V906-D908 PolarHBondContact O-N 2.74Å; V906-C909 PolarHBondContact O-SG 3.44Å; V906-I914 HydrophobicContact CG1-CD1 3.73Å; V906-L1139 HydrophobicContact CB-CD1 4.4Å; V906-L1139 HydrophobicContact CG1-CD1 4.39Å; V906-L1139 HydrophobicContact CG2-CD1 4.25Å; V906-G1144 PolarHBondContact N-O 2.86Å; V906-G1144 WeakPolarHBondContact O-CA 3.44Å; V906-V1156 HydrophobicContact CG2-CG2 4.16Å
907	N	95.3	Very high	94.9	Very high	14 Å²	14	26.2 Å²	26.2	8%	0.075	13%	0.131	C	C	.	.	S	Bend	trans	-59.6	-22.8	-169	-48	63.1	0	0	0	116.4	C893 V894 L899 K1158 E1218	C893-N907 WeakPolarHBondContact CA-O 3.39Å; C893-N907 WeakPolarHBondContact CB-O 3.34Å; V894-N907 HydrophobicContact CG2-CB 4.22Å; V894-N907 PolarHBondContact N-O 3.49Å; L899-N907 WeakPolarHBondContact CD1-ND2 3.5Å; N907-K1158 VanDerWaalsContact OD1-CE 3.23Å; N907-K1158 WeakPolarHBondContact OD1-CE 3.35Å; N907-K1158 PolarHBondContact OD1-NZ 3.27Å; N907-E1218 PolarHBondContact ND2-OE1 3.48Å; N907-E1218 PolarHBondContact OD1-OE1 3.2Å
908	D	96.4	Very high	95.5	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.027	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	112.4	-168.6	-174.4	-19.9	0	0	0	107.5	C893 V906 H910 I913 K1003 T1033 K1039	C893-D908 PolarHBondContact SG-OD1 3.45Å; V906-D908 PolarHBondContact O-N 2.74Å; D908-H910 WeakPolarHBondContact OD1-CB 3.47Å; D908-H910 IonicContact OD1-CD2 2.73Å; D908-H910 PolarHBondContact OD1-CD2 2.96Å; D908-H910 VanDerWaalsContact OD1-CD2 3.23Å; D908-H910 IonicContact OD1-CG 3.78Å; D908-H910 PolarHBondContact OD1-N 2.69Å; D908-H910 VanDerWaalsContact OD1-N 3.15Å; D908-I913 HydrophobicContact CB-CG2 4.21Å; D908-K1003 IonicContact OD1-NZ 3.45Å; D908-K1003 PolarHBondContact OD1-NZ 3.45Å; D908-K1003 WeakPolarHBondContact OD2-CE 3.46Å; D908-K1003 IonicContact OD2-NZ 2.85Å; D908-K1003 PolarHBondContact OD2-NZ 2.9Å; D908-T1033 HydrophobicContact CB-CG2 4.4Å; D908-K1039 IonicContact OD2-NZ 3.87Å; D908-K1039 PolarHBondContact OD2-NZ 3.11Å
909	C	95.8	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	35	-174.3	-64.6	0	0	0	0	110.8	G890 N891 R892 V906 I914	G890-C909 CarbonylContact C-O 3.53Å; G890-C909 WeakPolarHBondContact CA-O 3.43Å; N891-C909 PolarHBondContact N-O 3.24Å; R892-C909 CarbonylContact O-C 3.42Å; R892-C909 WeakPolarHBondContact O-CA 3.29Å; R892-C909 PolarHBondContact O-N 2.89Å; V906-C909 PolarHBondContact O-SG 3.44Å; C909-I914 HydrophobicContact CB-CD1 4.38Å; C909-I914 HydrophobicContact CB-CG1 4.47Å
910	H	96	Very high	96.4	Very high	6 Å²	6	19 Å²	19	3%	0.028	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.1	162.9	-77.7	-127.9	0	0	0	110.8	G890 N891 R892 D908 E912 I913 I914 C966 K1003	G890-H910 WeakPolarHBondContact O-CA 3.18Å; N891-H910 VanDerWaalsContact C-CD2 3.47Å; N891-H910 PolarHBondContact O-NE2 3.02Å; R892-H910 PolarHBondContact O-CD2 2.91Å; D908-H910 WeakPolarHBondContact OD1-CB 3.47Å; D908-H910 IonicContact OD1-CD2 2.73Å; D908-H910 PolarHBondContact OD1-CD2 2.96Å; D908-H910 VanDerWaalsContact OD1-CD2 3.23Å; D908-H910 IonicContact OD1-CG 3.78Å; D908-H910 PolarHBondContact OD1-N 2.69Å; D908-H910 VanDerWaalsContact OD1-N 3.15Å; H910-E912 VanDerWaalsContact C-N 3.33Å; H910-E912 PolarHBondContact O-N 3.39Å; H910-I913 HydrophobicContact CB-CG1 3.96Å; H910-I913 WeakPolarHBondContact O-CA 3.38Å; H910-I913 WeakPolarHBondContact O-CB 3.42Å; H910-I913 PolarHBondContact O-N 3.18Å; H910-I914 WeakPolarHBondContact O-CG1 3.49Å; H910-I914 PolarHBondContact O-N 2.83Å; H910-C966 PolarHBondContact CE1-SG 2.65Å; H910-K1003 PolarHBondContact CD2-NZ 3.03Å; H910-K1003 PolarHBondContact CE1-NZ 3.18Å; H910-K1003 PolarHBondContact ND1-NZ 3.08Å; H910-K1003 PolarHBondContact NE2-NZ 3.18Å; H910-K1003 VanDerWaalsContact NE2-NZ 3.1Å
911	A	96.3	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-44.6	-51.7	-175.8	0	0	0	0	0	114	I868 A870 G888 G890 I913 I914 S915	I868-A911 HydrophobicContact CB-CB 4.24Å; I868-A911 HydrophobicContact CG2-CB 3.79Å; I868-A911 WeakPolarHBondContact O-CB 3.47Å; A870-A911 VanDerWaalsContact CB-C 3.5Å; A870-A911 HydrophobicContact CB-CB 3.71Å; G888-A911 WeakPolarHBondContact O-CB 3.49Å; G890-A911 PolarHBondContact O-N 3.13Å; A911-I913 VanDerWaalsContact C-N 3.31Å; A911-I913 PolarHBondContact O-N 3.17Å; A911-I914 PolarHBondContact O-N 3Å; A911-S915 WeakPolarHBondContact O-CB 2.97Å; A911-S915 PolarHBondContact O-N 3.45Å
912	E	97	Very high	96.9	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-67.9	-28.5	-178.1	63.8	-85.9	-143.2	0	0	112.8	A870 H910 R916 I961 C1036 W1043	A870-E912 HydrophobicContact CB-CB 4.02Å; H910-E912 VanDerWaalsContact C-N 3.33Å; H910-E912 PolarHBondContact O-N 3.39Å; E912-R916 PolarHBondContact O-N 2.84Å; E912-I961 HydrophobicContact CB-CD1 3.98Å; E912-I961 HydrophobicContact CB-CG1 4.3Å; E912-I961 HydrophobicContact CB-CG2 4.47Å; E912-I961 HydrophobicContact CG-CD1 4.37Å; E912-C1036 VanDerWaalsContact CD-SG 3.51Å; E912-C1036 HydrophobicContact CG-CB 3.89Å; E912-C1036 WeakPolarHBondContact OE1-CB 3.45Å; E912-C1036 PolarHBondContact OE1-SG 3.23Å; E912-W1043 WeakPolarHBondContact O-CH2 3.2Å
913	I	98.4	Very high	97.1	Very high	12 Å²	12	10.6 Å²	10.6	6%	0.062	5%	0.047	C	C	.	.	H	α-helix	trans	-76.8	-40.2	174.7	-50.3	-52.8	0	0	0	110.4	D908 H910 A911 R917 C1036 K1039 W1043	D908-I913 HydrophobicContact CB-CG2 4.21Å; H910-I913 HydrophobicContact CB-CG1 3.96Å; H910-I913 WeakPolarHBondContact O-CA 3.38Å; H910-I913 WeakPolarHBondContact O-CB 3.42Å; H910-I913 PolarHBondContact O-N 3.18Å; A911-I913 VanDerWaalsContact C-N 3.31Å; A911-I913 PolarHBondContact O-N 3.17Å; I913-R917 WeakPolarHBondContact O-CG 3.41Å; I913-R917 PolarHBondContact O-N 3.13Å; I913-C1036 HydrophobicContact CD1-CB 4.47Å; I913-K1039 HydrophobicContact CD1-CB 4.1Å; I913-K1039 HydrophobicContact CD1-CD 3.58Å; I913-K1039 HydrophobicContact CD1-CG 4.48Å; I913-K1039 HydrophobicContact CG1-CD 4.44Å; I913-W1043 HydrophobicContact CD1-CH2 3.72Å; I913-W1043 HydrophobicContact CD1-CZ2 3.72Å
914	I	98.4	Very high	97.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-67.7	-48.1	177.5	-68.2	-58.4	0	0	0	111.6	V906 C909 H910 A911 R916 R917 G918 N1127 L1139 V1156	V906-I914 HydrophobicContact CG1-CD1 3.73Å; C909-I914 HydrophobicContact CB-CD1 4.38Å; C909-I914 HydrophobicContact CB-CG1 4.47Å; H910-I914 WeakPolarHBondContact O-CG1 3.49Å; H910-I914 PolarHBondContact O-N 2.83Å; A911-I914 PolarHBondContact O-N 3Å; I914-R916 VanDerWaalsContact C-N 3.3Å; I914-R916 PolarHBondContact O-N 2.97Å; I914-R917 WeakPolarHBondContact O-CA 3.42Å; I914-R917 WeakPolarHBondContact O-CB 3.33Å; I914-R917 PolarHBondContact O-N 2.67Å; I914-G918 PolarHBondContact O-N 3.28Å; I914-N1127 HydrophobicContact CG2-CB 3.22Å; I914-L1139 HydrophobicContact CD1-CD1 4.22Å; I914-V1156 HydrophobicContact CD1-CG2 4.47Å
915	S	98.6	Very high	97.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.8	-42.3	176.5	177.6	0	0	0	0	111.3	A871 I872 S886 A911 R917 G918 F919	A871-S915 WeakPolarHBondContact CA-OG 3.48Å; I872-S915 PolarHBondContact N-OG 3.06Å; S886-S915 WeakPolarHBondContact CB-O 3.46Å; S886-S915 PolarHBondContact O-OG 3.14Å; S886-S915 VanDerWaalsContact O-OG 3.09Å; S886-S915 PolarHBondContact OG-O 3.35Å; A911-S915 WeakPolarHBondContact O-CB 2.97Å; A911-S915 PolarHBondContact O-N 3.45Å; S915-R917 VanDerWaalsContact C-N 3.34Å; S915-R917 PolarHBondContact O-N 3.04Å; S915-G918 PolarHBondContact O-N 2.86Å; S915-F919 WeakPolarHBondContact O-CB 3.27Å; S915-F919 PolarHBondContact O-N 2.76Å
916	R	98.8	Very high	97.5	Very high	39 Å²	39	10.9 Å²	10.9	15%	0.147	5%	0.051	C	C	.	.	H	α-helix	trans	-62.4	-36.9	171.8	179.6	176.5	164.5	-103.5	-5.3	113.3	I872 E912 I914 F919 I920 W1043 L1048	I872-R916 HydrophobicContact CD1-CB 4.48Å; E912-R916 PolarHBondContact O-N 2.84Å; I914-R916 VanDerWaalsContact C-N 3.3Å; I914-R916 PolarHBondContact O-N 2.97Å; R916-F919 PolarHBondContact O-N 2.74Å; R916-I920 HydrophobicContact CG-CD1 4.3Å; R916-I920 WeakPolarHBondContact O-CG1 3.42Å; R916-I920 PolarHBondContact O-N 3.45Å; R916-W1043 HydrophobicContact CB-CH2 3.98Å; R916-W1043 HydrophobicContact CB-CZ2 4.37Å; R916-W1043 HydrophobicContact CB-CZ3 4.18Å; R916-W1043 VanDerWaalsContact CD-CZ2 3.41Å; R916-W1043 HydrophobicContact CG-CH2 4.48Å; R916-W1043 HydrophobicContact CG-CZ2 4.49Å; R916-L1048 HydrophobicContact CG-CD2 4.31Å; R916-L1048 PolarHBondContact NE-O 3.04Å; R916-L1048 PolarHBondContact NH2-O 2.95Å
917	R	98.7	Very high	97.4	Very high	32 Å²	32	11 Å²	11	12%	0.121	5%	0.051	C	C	.	.	H	α-helix	trans	-70.7	-34.8	178.9	-68.6	172.7	83.6	132.8	3.9	112.1	I913 I914 S915 R921 V1156 I1161	I913-R917 WeakPolarHBondContact O-CG 3.41Å; I913-R917 PolarHBondContact O-N 3.13Å; I914-R917 WeakPolarHBondContact O-CA 3.42Å; I914-R917 WeakPolarHBondContact O-CB 3.33Å; I914-R917 PolarHBondContact O-N 2.67Å; S915-R917 VanDerWaalsContact C-N 3.34Å; S915-R917 PolarHBondContact O-N 3.04Å; R917-R921 PolarHBondContact O-N 3.46Å; R917-V1156 HydrophobicContact CB-CB 3.87Å; R917-V1156 HydrophobicContact CB-CG1 3.88Å; R917-V1156 PolarHBondContact NE-O 3.41Å; R917-V1156 PolarHBondContact NH2-O 3.28Å; R917-I1161 HydrophobicContact CB-CD1 4.39Å
918	G	98.4	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.5	-37.8	169.4	0	0	0	0	0	112.3	S886 I914 S915 I920 R921 F922 C1129	S886-G918 WeakPolarHBondContact OG-CA 3.37Å; I914-G918 PolarHBondContact O-N 3.28Å; S915-G918 PolarHBondContact O-N 2.86Å; G918-I920 VanDerWaalsContact C-N 3.31Å; G918-I920 PolarHBondContact O-N 3.06Å; G918-R921 CarbonylContact O-C 3.15Å; G918-R921 WeakPolarHBondContact O-CA 3.44Å; G918-R921 WeakPolarHBondContact O-CB 3.39Å; G918-R921 PolarHBondContact O-N 3.4Å; G918-F922 PolarHBondContact O-N 2.97Å; G918-C1129 WeakPolarHBondContact O-CB 3.29Å
919	F	98.8	Very high	97.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.6	-38.4	172.3	176.8	-111.9	0	0	0	112.5	I872 V885 S886 S915 R916 R921 F922 L923 F957 L1048 I1060	I872-F919 HydrophobicContact CD1-CB 3.66Å; I872-F919 HydrophobicContact CD1-CD1 4.23Å; I872-F919 HydrophobicContact CD1-CG 3.93Å; I872-F919 HydrophobicContact CG2-CD2 3.91Å; I872-F919 HydrophobicContact CG2-CE2 4.21Å; I872-F919 HydrophobicContact CG2-CG 4.3Å; V885-F919 HydrophobicContact CG2-CD2 3.82Å; V885-F919 HydrophobicContact CG2-CE2 4.12Å; S886-F919 VanDerWaalsContact CB-N 3.28Å; S886-F919 PolarHBondContact OG-N 3.44Å; S886-F919 VanDerWaalsContact OG-N 3.17Å; S915-F919 WeakPolarHBondContact O-CB 3.27Å; S915-F919 PolarHBondContact O-N 2.76Å; R916-F919 PolarHBondContact O-N 2.74Å; F919-R921 VanDerWaalsContact C-N 3.28Å; F919-R921 PolarHBondContact O-N 3.36Å; F919-F922 AromaticContact CD2-CD1 3.83Å; F919-F922 HydrophobicContact CD2-CD1 3.83Å; F919-F922 AromaticContact CE2-CD1 3.82Å; F919-F922 HydrophobicContact CE2-CD1 3.82Å; F919-F922 HydrophobicContact CE2-CE1 4.14Å; F919-F922 WeakPolarHBondContact O-CB 3.28Å; F919-F922 PolarHBondContact O-N 3.47Å; F919-L923 HydrophobicContact CD1-CD1 4.13Å; F919-L923 HydrophobicContact CE1-CD1 3.65Å; F919-L923 HydrophobicContact CE1-CD2 4.47Å; F919-L923 HydrophobicContact CE1-CG 4.11Å; F919-L923 HydrophobicContact CE2-CD2 4.3Å; F919-L923 HydrophobicContact CE2-CG 4.31Å; F919-L923 HydrophobicContact CZ-CD1 3.99Å; F919-L923 HydrophobicContact CZ-CD2 3.96Å; F919-L923 HydrophobicContact CZ-CG 4.01Å; F919-L923 WeakPolarHBondContact O-CG 3.32Å; F919-L923 PolarHBondContact O-N 2.8Å; F919-F957 AromaticContact CE2-CD1 3.63Å; F919-F957 HydrophobicContact CE2-CD1 3.63Å; F919-F957 HydrophobicContact CE2-CD2 4.48Å; F919-F957 AromaticContact CE2-CE1 3.51Å; F919-F957 HydrophobicContact CE2-CE1 3.51Å; F919-F957 HydrophobicContact CE2-CE2 4.38Å; F919-F957 HydrophobicContact CE2-CG 4.14Å; F919-F957 AromaticContact CE2-CZ 3.92Å; F919-F957 HydrophobicContact CE2-CZ 3.92Å; F919-F957 AromaticContact CZ-CD1 3.95Å; F919-F957 HydrophobicContact CZ-CD1 3.95Å; F919-F957 AromaticContact CZ-CD2 3.99Å; F919-F957 HydrophobicContact CZ-CD2 3.99Å; F919-F957 AromaticContact CZ-CE1 3.93Å; F919-F957 HydrophobicContact CZ-CE1 3.93Å; F919-F957 AromaticContact CZ-CE2 3.97Å; F919-F957 HydrophobicContact CZ-CE2 3.97Å; F919-F957 AromaticContact CZ-CG 3.99Å; F919-F957 HydrophobicContact CZ-CG 3.99Å; F919-F957 AromaticContact CZ-CZ 3.94Å; F919-F957 HydrophobicContact CZ-CZ 3.94Å; F919-L1048 HydrophobicContact CD1-CB 4.19Å; F919-L1048 HydrophobicContact CD1-CD1 4.16Å; F919-L1048 HydrophobicContact CE1-CB 3.88Å; F919-L1048 HydrophobicContact CE1-CD1 3.63Å; F919-L1048 HydrophobicContact CE1-CG 4.4Å; F919-L1048 HydrophobicContact CZ-CD1 4.36Å; F919-I1060 HydrophobicContact CE1-CG2 4.37Å; F919-I1060 HydrophobicContact CZ-CG2 4.24Å
920	I	98.7	Very high	97	Very high	15 Å²	15	19.3 Å²	19.3	8%	0.077	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-37.2	171.1	-73.2	166.2	0	0	0	111.4	R916 G918 L923 Y924 L1053 I1161	R916-I920 HydrophobicContact CG-CD1 4.3Å; R916-I920 WeakPolarHBondContact O-CG1 3.42Å; R916-I920 PolarHBondContact O-N 3.45Å; G918-I920 VanDerWaalsContact C-N 3.31Å; G918-I920 PolarHBondContact O-N 3.06Å; I920-L923 PolarHBondContact O-N 3.11Å; I920-Y924 HydrophobicContact CG2-CD2 4.01Å; I920-Y924 HydrophobicContact CG2-CE2 3.71Å; I920-Y924 WeakPolarHBondContact O-CD2 3.41Å; I920-Y924 PolarHBondContact O-N 2.78Å; I920-Y924 VanDerWaalsContact O-N 3.1Å; I920-L1053 HydrophobicContact CG2-CD1 4.09Å; I920-I1161 HydrophobicContact CG2-CG2 4.14Å
921	R	98.3	Very high	96.4	Very high	38 Å²	38	22 Å²	22	14%	0.143	10%	0.103	C	C	.	.	H	α-helix	trans	-69.1	-38.2	174	-65.9	178.3	61.6	-107.7	-6.1	112.4	R917 G918 F919 Y924 S925 C1129 D1132 R1155 V1156 L1164	R917-R921 PolarHBondContact O-N 3.46Å; G918-R921 CarbonylContact O-C 3.15Å; G918-R921 WeakPolarHBondContact O-CA 3.44Å; G918-R921 WeakPolarHBondContact O-CB 3.39Å; G918-R921 PolarHBondContact O-N 3.4Å; F919-R921 VanDerWaalsContact C-N 3.28Å; F919-R921 PolarHBondContact O-N 3.36Å; R921-Y924 PolarHBondContact O-N 3.44Å; R921-S925 PolarHBondContact O-N 2.9Å; R921-C1129 PolarHBondContact NH1-SG 2.85Å; R921-D1132 IonicContact CZ-OD1 3.26Å; R921-D1132 VanDerWaalsContact CZ-OD1 3.23Å; R921-D1132 IonicContact CZ-OD2 2.8Å; R921-D1132 IonicContact NH1-OD1 2.86Å; R921-D1132 PolarHBondContact NH1-OD1 2.89Å; R921-D1132 IonicContact NH1-OD2 2.74Å; R921-D1132 PolarHBondContact NH1-OD2 3.03Å; R921-D1132 IonicContact NH2-OD1 3.83Å; R921-D1132 PolarHBondContact NH2-OD1 2.9Å; R921-D1132 IonicContact NH2-OD2 3.39Å; R921-R1155 WeakPolarHBondContact CD-O 3.39Å; R921-R1155 VanDerWaalsContact NH1-CD 3.27Å; R921-V1156 HydrophobicContact CG-CG1 4.48Å; R921-L1164 HydrophobicContact CB-CD1 4.31Å; R921-L1164 HydrophobicContact CG-CD1 3.85Å
922	F	98.1	Very high	95.6	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-48.2	170.7	165.8	-103	0	0	0	111.4	M874 V885 G918 F919 Y924 S925 E926 I939 F957 C1129 L1130	M874-F922 HydrophobicContact CE-CZ 4.36Å; M874-F922 HydrophobicContact SD-CE1 4.25Å; M874-F922 HydrophobicContact SD-CZ 3.9Å; V885-F922 HydrophobicContact CB-CD1 3.97Å; V885-F922 HydrophobicContact CB-CD2 4.18Å; V885-F922 HydrophobicContact CB-CE1 4.01Å; V885-F922 HydrophobicContact CB-CE2 4.23Å; V885-F922 HydrophobicContact CB-CG 4.05Å; V885-F922 HydrophobicContact CB-CZ 4.14Å; V885-F922 HydrophobicContact CG1-CD1 4.34Å; V885-F922 HydrophobicContact CG1-CD2 4.3Å; V885-F922 HydrophobicContact CG1-CE1 3.89Å; V885-F922 HydrophobicContact CG1-CE2 3.85Å; V885-F922 HydrophobicContact CG1-CZ 3.62Å; V885-F922 HydrophobicContact CG2-CD1 4.28Å; V885-F922 HydrophobicContact CG2-CE1 4.32Å; G918-F922 PolarHBondContact O-N 2.97Å; F919-F922 AromaticContact CD2-CD1 3.83Å; F919-F922 HydrophobicContact CD2-CD1 3.83Å; F919-F922 AromaticContact CE2-CD1 3.82Å; F919-F922 HydrophobicContact CE2-CD1 3.82Å; F919-F922 HydrophobicContact CE2-CE1 4.14Å; F919-F922 WeakPolarHBondContact O-CB 3.28Å; F919-F922 PolarHBondContact O-N 3.47Å; F922-Y924 VanDerWaalsContact C-N 3.3Å; F922-Y924 PolarHBondContact O-N 2.69Å; F922-S925 WeakPolarHBondContact O-CA 3.4Å; F922-S925 VanDerWaalsContact O-CB 3.29Å; F922-S925 WeakPolarHBondContact O-CB 3.38Å; F922-S925 PolarHBondContact O-N 3.27Å; F922-E926 HydrophobicContact CD2-CG 4.15Å; F922-E926 HydrophobicContact CE1-CG 4.15Å; F922-E926 HydrophobicContact CE2-CG 3.63Å; F922-E926 HydrophobicContact CZ-CG 3.64Å; F922-E926 PolarHBondContact O-N 2.76Å; F922-I939 HydrophobicContact CE1-CD1 3.9Å; F922-I939 HydrophobicContact CZ-CD1 4.09Å; F922-F957 HydrophobicContact CE1-CE1 4.27Å; F922-C1129 HydrophobicContact CB-CB 4.34Å; F922-L1130 HydrophobicContact CD2-CB 4.36Å; F922-L1130 HydrophobicContact CE2-CD2 4.32Å
923	L	98.4	Very high	94.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-38.3	175	-68.5	175.5	0	0	0	112.8	F919 I920 S925 E926 L927 I939 F940 Q1049 L1053 I1060	F919-L923 HydrophobicContact CD1-CD1 4.13Å; F919-L923 HydrophobicContact CE1-CD1 3.65Å; F919-L923 HydrophobicContact CE1-CD2 4.47Å; F919-L923 HydrophobicContact CE1-CG 4.11Å; F919-L923 HydrophobicContact CE2-CD2 4.3Å; F919-L923 HydrophobicContact CE2-CG 4.31Å; F919-L923 HydrophobicContact CZ-CD1 3.99Å; F919-L923 HydrophobicContact CZ-CD2 3.96Å; F919-L923 HydrophobicContact CZ-CG 4.01Å; F919-L923 WeakPolarHBondContact O-CG 3.32Å; F919-L923 PolarHBondContact O-N 2.8Å; I920-L923 PolarHBondContact O-N 3.11Å; L923-S925 VanDerWaalsContact C-N 3.35Å; L923-E926 PolarHBondContact O-N 2.74Å; L923-L927 WeakPolarHBondContact O-CB 3.26Å; L923-L927 VanDerWaalsContact O-CG 3.31Å; L923-L927 WeakPolarHBondContact O-CG 3.49Å; L923-L927 PolarHBondContact O-N 2.77Å; L923-I939 HydrophobicContact CD2-CD1 4.33Å; L923-F940 HydrophobicContact CD2-CE1 4.21Å; L923-F940 HydrophobicContact CD2-CZ 3.93Å; L923-Q1049 HydrophobicContact CD1-CB 4.22Å; L923-L1053 HydrophobicContact CB-CD1 3.91Å; L923-L1053 HydrophobicContact CD1-CD1 3.89Å; L923-I1060 HydrophobicContact CD1-CD1 3.86Å; L923-I1060 HydrophobicContact CD2-CD1 3.77Å
924	Y	98.3	Very high	93.7	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-36.3	171.6	-81.1	-65.3	0	0	0	112.7	I920 R921 F922 M928 L1053 I1161 L1164 F1165 L1168	I920-Y924 HydrophobicContact CG2-CD2 4.01Å; I920-Y924 HydrophobicContact CG2-CE2 3.71Å; I920-Y924 WeakPolarHBondContact O-CD2 3.41Å; I920-Y924 PolarHBondContact O-N 2.78Å; I920-Y924 VanDerWaalsContact O-N 3.1Å; R921-Y924 PolarHBondContact O-N 3.44Å; F922-Y924 VanDerWaalsContact C-N 3.3Å; F922-Y924 PolarHBondContact O-N 2.69Å; Y924-M928 WeakPolarHBondContact O-CG 3.28Å; Y924-M928 PolarHBondContact O-N 2.92Å; Y924-L1053 HydrophobicContact CD1-CD2 3.89Å; Y924-L1053 HydrophobicContact CD2-CD2 4.45Å; Y924-L1053 HydrophobicContact CE1-CD2 3.41Å; Y924-L1053 VanDerWaalsContact CE1-CD2 3.41Å; Y924-L1053 HydrophobicContact CE1-CG 4.23Å; Y924-L1053 HydrophobicContact CE2-CD1 4.26Å; Y924-L1053 HydrophobicContact CE2-CD2 4.04Å; Y924-L1053 HydrophobicContact CE2-CG 4.08Å; Y924-L1053 HydrophobicContact CG-CD2 4.36Å; Y924-L1053 VanDerWaalsContact CZ-CD2 3.47Å; Y924-I1161 HydrophobicContact CE2-CG2 4.09Å; Y924-L1164 HydrophobicContact CD1-CB 4.14Å; Y924-L1164 HydrophobicContact CD2-CB 3.89Å; Y924-L1164 HydrophobicContact CD2-CD1 4.13Å; Y924-L1164 HydrophobicContact CE2-CB 4.33Å; Y924-L1164 HydrophobicContact CG-CB 3.83Å; Y924-L1164 HydrophobicContact CG-CD1 4.41Å; Y924-F1165 HydrophobicContact CE1-CB 4.19Å; Y924-L1168 HydrophobicContact CD1-CB 4.2Å; Y924-L1168 HydrophobicContact CD1-CD2 3.87Å; Y924-L1168 HydrophobicContact CE1-CB 4.29Å; Y924-L1168 HydrophobicContact CE1-CD2 3.81Å
925	S	96.3	Very high	92.8	Very high	32 Å²	32	38.1 Å²	38.1	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-48.6	175	-166.2	0	0	0	0	111.4	R921 F922 L923 L927 M928 K929	R921-S925 PolarHBondContact O-N 2.9Å; F922-S925 WeakPolarHBondContact O-CA 3.4Å; F922-S925 VanDerWaalsContact O-CB 3.29Å; F922-S925 WeakPolarHBondContact O-CB 3.38Å; F922-S925 PolarHBondContact O-N 3.27Å; L923-S925 VanDerWaalsContact C-N 3.35Å; S925-L927 PolarHBondContact O-N 3.26Å; S925-M928 PolarHBondContact O-N 3.04Å; S925-K929 WeakPolarHBondContact O-CG 3.45Å; S925-K929 PolarHBondContact O-N 3.45Å; S925-K929 WeakPolarHBondContact OG-CE 3.35Å
926	E	95.7	Very high	92	Very high	25 Å²	25	47 Å²	47	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-37.9	-179.9	-62.5	-51.7	117.9	0	0	112.6	F922 L923 M928 K929 Y930 I939 F940	F922-E926 HydrophobicContact CD2-CG 4.15Å; F922-E926 HydrophobicContact CE1-CG 4.15Å; F922-E926 HydrophobicContact CE2-CG 3.63Å; F922-E926 HydrophobicContact CZ-CG 3.64Å; F922-E926 PolarHBondContact O-N 2.76Å; L923-E926 PolarHBondContact O-N 2.74Å; E926-M928 PolarHBondContact O-N 2.81Å; E926-K929 PolarHBondContact O-N 3.48Å; E926-K929 VanDerWaalsContact O-N 3.11Å; E926-K929 WeakPolarHBondContact OE1-CE 3.43Å; E926-K929 IonicContact OE1-NZ 3.46Å; E926-K929 PolarHBondContact OE1-NZ 3.1Å; E926-Y930 PolarHBondContact O-N 3.49Å; E926-I939 HydrophobicContact CB-CD1 3.99Å; E926-I939 HydrophobicContact CB-CG1 4.14Å; E926-I939 HydrophobicContact CG-CD1 3.82Å; E926-I939 HydrophobicContact CG-CG1 4.2Å; E926-F940 HydrophobicContact CB-CD2 4.4Å; E926-F940 HydrophobicContact CB-CE2 3.54Å; E926-F940 HydrophobicContact CB-CZ 4.17Å
927	L	95.3	Very high	91.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-23.5	177	-80.6	173.4	0	0	0	114	L923 S925 F940 L949 L1053 F1056 L1057 L1168 R1172	L923-L927 WeakPolarHBondContact O-CB 3.26Å; L923-L927 VanDerWaalsContact O-CG 3.31Å; L923-L927 WeakPolarHBondContact O-CG 3.49Å; L923-L927 PolarHBondContact O-N 2.77Å; S925-L927 PolarHBondContact O-N 3.26Å; L927-F940 HydrophobicContact CB-CE2 4.49Å; L927-F940 HydrophobicContact CD2-CD2 4.15Å; L927-F940 HydrophobicContact CD2-CE2 3.78Å; L927-F940 HydrophobicContact CD2-CZ 4.06Å; L927-F940 HydrophobicContact CG-CE2 3.76Å; L927-F940 HydrophobicContact CG-CZ 3.9Å; L927-L949 HydrophobicContact CD2-CD1 3.93Å; L927-L1053 HydrophobicContact CD1-CD2 3.57Å; L927-F1056 HydrophobicContact CD1-CB 4.45Å; L927-L1057 HydrophobicContact CD1-CD1 3.81Å; L927-L1057 HydrophobicContact CD1-CG 4.11Å; L927-L1057 HydrophobicContact CD2-CD2 4.1Å; L927-L1057 HydrophobicContact CD2-CG 4.29Å; L927-L1057 HydrophobicContact CG-CD1 4.43Å; L927-L1168 HydrophobicContact CB-CD1 3.92Å; L927-L1168 HydrophobicContact CB-CD2 4.23Å; L927-L1168 HydrophobicContact CD1-CD2 3.76Å; L927-R1172 PolarHBondContact O-NH2 3.23Å
928	M	94.2	Very high	91	Very high	59 Å²	59	50.5 Å²	50.5	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-83.2	-26.8	173.1	-66.4	-73.1	-150.9	0	0	112.6	Y924 S925 E926 K1167 L1168 F1171	Y924-M928 WeakPolarHBondContact O-CG 3.28Å; Y924-M928 PolarHBondContact O-N 2.92Å; S925-M928 PolarHBondContact O-N 3.04Å; E926-M928 PolarHBondContact O-N 2.81Å; M928-K1167 VanDerWaalsContact CE-C 3.45Å; M928-K1167 HydrophobicContact CE-CB 3.62Å; M928-L1168 HydrophobicContact CE-CB 4.09Å; M928-L1168 VanDerWaalsContact CE-N 3.34Å; M928-L1168 HydrophobicContact CG-CD1 4.41Å; M928-L1168 HydrophobicContact SD-CD1 3.93Å; M928-F1171 HydrophobicContact CE-CB 4.43Å; M928-F1171 WeakPolarHBondContact O-CE1 3.23Å; M928-F1171 VanDerWaalsContact O-CZ 3.23Å; M928-F1171 WeakPolarHBondContact O-CZ 3.49Å; M928-F1171 HydrophobicContact SD-CB 3.73Å; M928-F1171 HydrophobicContact SD-CD1 3.61Å; M928-F1171 HydrophobicContact SD-CD2 4.4Å; M928-F1171 HydrophobicContact SD-CE1 4.32Å; M928-F1171 HydrophobicContact SD-CG 3.66Å
929	K	92.4	Very high	90.9	Very high	113 Å²	113	50.8 Å²	50.8	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-80.1	-29.9	174.7	-63.9	169.6	-167.9	172.7	0	112.6	S925 E926 N931 T934	S925-K929 WeakPolarHBondContact O-CG 3.45Å; S925-K929 PolarHBondContact O-N 3.45Å; S925-K929 WeakPolarHBondContact OG-CE 3.35Å; E926-K929 PolarHBondContact O-N 3.48Å; E926-K929 VanDerWaalsContact O-N 3.11Å; E926-K929 WeakPolarHBondContact OE1-CE 3.43Å; E926-K929 IonicContact OE1-NZ 3.46Å; E926-K929 PolarHBondContact OE1-NZ 3.1Å; K929-N931 PolarHBondContact O-N 2.92Å; K929-T934 PolarHBondContact O-OG1 3.39Å
930	Y	91.6	Very high	90.7	Very high	22 Å²	22	50.8 Å²	50.8	9%	0.086	26%	0.262	C	S	.	.			trans	-62.6	118.7	-179.7	-177.5	-78	0	0	0	111.5	E926 A935 F940 L949 R1172	E926-Y930 PolarHBondContact O-N 3.49Å; Y930-A935 HydrophobicContact CE2-CB 4.15Å; Y930-F940 HydrophobicContact CD2-CB 3.82Å; Y930-F940 HydrophobicContact CD2-CD2 4.35Å; Y930-F940 HydrophobicContact CE2-CB 3.96Å; Y930-L949 HydrophobicContact CD1-CD1 3.78Å; Y930-L949 HydrophobicContact CD2-CD1 4Å; Y930-L949 HydrophobicContact CE1-CD1 3.84Å; Y930-L949 HydrophobicContact CE1-CD2 3.92Å; Y930-L949 HydrophobicContact CE2-CD1 4.06Å; Y930-L949 HydrophobicContact CE2-CD2 4.19Å; Y930-L949 HydrophobicContact CG-CD1 3.86Å; Y930-R1172 PolarHBondContact O-NH2 3.48Å
931	N	84.9	Confident	90.4	Very high	64 Å²	64	52.5 Å²	52.5	34%	0.342	27%	0.27	S	S	.	.			trans	-133.8	174.4	160.7	68.2	60.8	0	0	0	109.1	K929 Q933 T934 A935	K929-N931 PolarHBondContact O-N 2.92Å; N931-Q933 VanDerWaalsContact C-N 3.26Å; N931-Q933 PolarHBondContact O-N 3.15Å; N931-Q933 WeakPolarHBondContact OD1-CA 3.34Å; N931-Q933 WeakPolarHBondContact OD1-CB 3.47Å; N931-Q933 PolarHBondContact OD1-N 2.87Å; N931-T934 VanDerWaalsContact CG-OG1 3.24Å; N931-T934 PolarHBondContact N-OG1 2.96Å; N931-T934 VanDerWaalsContact N-OG1 3.15Å; N931-T934 PolarHBondContact ND2-OG1 3.48Å; N931-T934 PolarHBondContact O-N 3.29Å; N931-T934 PolarHBondContact O-OG1 3.08Å; N931-T934 PolarHBondContact OD1-N 2.87Å; N931-T934 PolarHBondContact OD1-OG1 2.95Å; N931-A935 PolarHBondContact O-N 3.11Å; N931-A935 VanDerWaalsContact O-N 3.11Å
932	S	78.5	Confident	90.2	Very high	107 Å²	107	54.4 Å²	54.4	75%	0.748	29%	0.287	S	S	*	.	S	Bend	trans	-66.8	-23.2	-176.8	45.2	0	0	0	0	114.3
933	Q	78.7	Confident	89.9	Confident	171 Å²	171	54.6 Å²	54.6	80%	0.799	29%	0.289	S	S	*	.	S	Bend	trans	-84.6	-39.2	179.2	-58.8	166.9	-18.6	0	0	111	N931 A935	N931-Q933 VanDerWaalsContact C-N 3.26Å; N931-Q933 PolarHBondContact O-N 3.15Å; N931-Q933 WeakPolarHBondContact OD1-CA 3.34Å; N931-Q933 WeakPolarHBondContact OD1-CB 3.47Å; N931-Q933 PolarHBondContact OD1-N 2.87Å; Q933-A935 VanDerWaalsContact C-N 3.31Å; Q933-A935 PolarHBondContact O-N 3.44Å
934	T	76.8	Confident	89.2	Confident	49 Å²	49	63.9 Å²	63.9	30%	0.301	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-86.3	5.2	177.1	61	0	0	0	0	114	K929 N931 K936 D937 S938	K929-T934 PolarHBondContact O-OG1 3.39Å; N931-T934 VanDerWaalsContact CG-OG1 3.24Å; N931-T934 PolarHBondContact N-OG1 2.96Å; N931-T934 VanDerWaalsContact N-OG1 3.15Å; N931-T934 PolarHBondContact ND2-OG1 3.48Å; N931-T934 PolarHBondContact O-N 3.29Å; N931-T934 PolarHBondContact O-OG1 3.08Å; N931-T934 PolarHBondContact OD1-N 2.87Å; N931-T934 PolarHBondContact OD1-OG1 2.95Å; T934-K936 PolarHBondContact O-N 2.96Å; T934-K936 VanDerWaalsContact O-N 3.13Å; T934-D937 PolarHBondContact O-N 3.05Å; T934-D937 VanDerWaalsContact O-N 3.11Å; T934-S938 PolarHBondContact O-N 2.85Å
935	A	79.7	Confident	88.2	Confident	26 Å²	26	67.3 Å²	67.3	22%	0.215	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-60.3	-23.3	-178.8	0	0	0	0	0	113.3	Y930 N931 Q933 K952	Y930-A935 HydrophobicContact CE2-CB 4.15Å; N931-A935 PolarHBondContact O-N 3.11Å; N931-A935 VanDerWaalsContact O-N 3.11Å; Q933-A935 VanDerWaalsContact C-N 3.31Å; Q933-A935 PolarHBondContact O-N 3.44Å; A935-K952 PolarHBondContact O-NZ 3.32Å
936	K	82	Confident	87.2	Confident	187 Å²	187	68.3 Å²	68.3	81%	0.813	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-64.2	-44.3	173.7	-70	-172.5	177.1	-176.7	0	112.3	T934 K952	T934-K936 PolarHBondContact O-N 2.96Å; T934-K936 VanDerWaalsContact O-N 3.13Å; K936-K952 PolarHBondContact O-NZ 3.21Å
937	D	83.9	Confident	86.6	Confident	133 Å²	133	75.8 Å²	75.8	71%	0.711	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-18.5	-173	-47.6	-59.5	0	0	0	113.6	T934	T934-D937 PolarHBondContact O-N 3.05Å; T934-D937 VanDerWaalsContact O-N 3.11Å
938	S	92.5	Very high	86.5	Confident	11 Å²	11	77.4 Å²	77.4	8%	0.077	42%	0.423	C	S	.	.	S	Bend	trans	-68.7	155.9	179	-167.1	0	0	0	0	113	T934 F940 K952	T934-S938 PolarHBondContact O-N 2.85Å; S938-F940 PolarHBondContact O-N 3.35Å; S938-K952 WeakPolarHBondContact O-CD 3.47Å; S938-K952 WeakPolarHBondContact O-CE 3.44Å; S938-K952 PolarHBondContact O-NZ 3.16Å
939	I	95.1	Very high	86.6	Confident	6 Å²	6	75.5 Å²	75.5	3%	0.031	41%	0.414	C	S	.	.	S	Bend	trans	-72.3	-11	171.8	62.6	167.5	0	0	0	113.8	M874 F922 L923 E926 I951 K952 V955 F957	M874-I939 HydrophobicContact CE-CG2 4.17Å; M874-I939 HydrophobicContact SD-CG2 3.65Å; F922-I939 HydrophobicContact CE1-CD1 3.9Å; F922-I939 HydrophobicContact CZ-CD1 4.09Å; L923-I939 HydrophobicContact CD2-CD1 4.33Å; E926-I939 HydrophobicContact CB-CD1 3.99Å; E926-I939 HydrophobicContact CB-CG1 4.14Å; E926-I939 HydrophobicContact CG-CD1 3.82Å; E926-I939 HydrophobicContact CG-CG1 4.2Å; I939-I951 HydrophobicContact CD1-CD1 3.86Å; I939-I951 HydrophobicContact CG1-CD1 4.21Å; I939-K952 PolarHBondContact O-N 2.55Å; I939-V955 HydrophobicContact CB-CG1 4.36Å; I939-V955 HydrophobicContact CG2-CG1 4.43Å; I939-F957 HydrophobicContact CD1-CZ 4.35Å
940	F	95.6	Very high	86.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	152.5	-176	-57.2	-64.3	0	0	0	113.3	L923 E926 L927 Y930 S938 L949 Q950 I951 K952 L1057 I1060	L923-F940 HydrophobicContact CD2-CE1 4.21Å; L923-F940 HydrophobicContact CD2-CZ 3.93Å; E926-F940 HydrophobicContact CB-CD2 4.4Å; E926-F940 HydrophobicContact CB-CE2 3.54Å; E926-F940 HydrophobicContact CB-CZ 4.17Å; L927-F940 HydrophobicContact CB-CE2 4.49Å; L927-F940 HydrophobicContact CD2-CD2 4.15Å; L927-F940 HydrophobicContact CD2-CE2 3.78Å; L927-F940 HydrophobicContact CD2-CZ 4.06Å; L927-F940 HydrophobicContact CG-CE2 3.76Å; L927-F940 HydrophobicContact CG-CZ 3.9Å; Y930-F940 HydrophobicContact CD2-CB 3.82Å; Y930-F940 HydrophobicContact CD2-CD2 4.35Å; Y930-F940 HydrophobicContact CE2-CB 3.96Å; S938-F940 PolarHBondContact O-N 3.35Å; F940-L949 HydrophobicContact CB-CB 4.28Å; F940-L949 HydrophobicContact CB-CD1 4.18Å; F940-L949 HydrophobicContact CG-CD1 4.45Å; F940-Q950 CarbonylContact C-O 3.42Å; F940-Q950 VanDerWaalsContact CA-O 3.23Å; F940-Q950 WeakPolarHBondContact CA-O 3.39Å; F940-I951 HydrophobicContact CD1-CD1 3.65Å; F940-I951 HydrophobicContact CD1-CG1 4.41Å; F940-I951 HydrophobicContact CE1-CD1 3.43Å; F940-I951 VanDerWaalsContact CE1-CD1 3.43Å; F940-I951 HydrophobicContact CE1-CG1 4.32Å; F940-I951 HydrophobicContact CZ-CD1 4.42Å; F940-K952 WeakPolarHBondContact O-CE 3.05Å; F940-L1057 HydrophobicContact CD1-CD2 3.6Å; F940-L1057 HydrophobicContact CE1-CD1 4.09Å; F940-L1057 HydrophobicContact CE1-CD2 3.32Å; F940-L1057 HydrophobicContact CE1-CG 4.36Å; F940-L1057 HydrophobicContact CG-CD2 4.49Å; F940-L1057 HydrophobicContact CZ-CD1 4.28Å; F940-L1057 HydrophobicContact CZ-CD2 4.03Å; F940-I1060 HydrophobicContact CE1-CD1 4.49Å
941	E	93.1	Very high	87	Confident	51 Å²	51	72.9 Å²	72.9	24%	0.238	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.2	167.1	62.1	-172.6	-157.4	0	0	109.6	A943 L949 Q950 K952	E941-A943 PolarHBondContact O-N 2.87Å; E941-L949 CarbonylContact O-C 3.49Å; E941-L949 WeakPolarHBondContact O-CA 3.43Å; E941-Q950 HydrophobicContact CG-CG 3.54Å; E941-Q950 PolarHBondContact N-O 2.86Å; E941-Q950 PolarHBondContact O-N 3.21Å; E941-Q950 PolarHBondContact OE1-NE2 3.41Å; E941-K952 HydrophobicContact CB-CG 3.93Å; E941-K952 HydrophobicContact CG-CG 4.1Å; E941-K952 WeakPolarHBondContact OE2-CG 3.35Å
942	P	93.1	Very high	87.5	Confident	77 Å²	77	72 Å²	72	50%	0.5	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	134.9	169.9	-22	34	0	0	0	111.2
943	A	92.1	Very high	88.2	Confident	7 Å²	7	76.1 Å²	76.1	6%	0.058	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-76	164.8	174	0	0	0	0	0	111.5	E941 G945 G946 K948 Q950 Q1058	E941-A943 PolarHBondContact O-N 2.87Å; A943-G945 PolarHBondContact O-N 3.25Å; A943-G946 PolarHBondContact O-N 2.92Å; A943-K948 WeakPolarHBondContact CB-O 3.18Å; A943-K948 PolarHBondContact N-O 3.06Å; A943-Q950 HydrophobicContact CB-CB 4.1Å; A943-Q950 HydrophobicContact CB-CG 4.19Å; A943-Q1058 HydrophobicContact CB-CG 3.58Å
944	K	82.9	Confident	88.9	Confident	195 Å²	195	70.7 Å²	70.7	85%	0.848	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	127.3	167.3	-64	-171.5	179.2	-174.2	0	109.2
945	G	77.1	Confident	89.9	Confident	77 Å²	77	69.1 Å²	69.1	79%	0.794	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-7.5	-173.2	0	0	0	0	0	115.7	A943 E947	A943-G945 PolarHBondContact O-N 3.25Å; G945-E947 PolarHBondContact O-N 3.41Å
946	G	76.4	Confident	90.7	Very high	52 Å²	52	69.1 Å²	69.1	54%	0.536	38%	0.376	S	S	.	.	S	Bend	trans	74.8	-28	167.8	0	0	0	0	0	117.5	A943 K948	A943-G946 PolarHBondContact O-N 2.92Å; G946-K948 VanDerWaalsContact C-N 3.33Å; G946-K948 PolarHBondContact O-N 3.11Å
947	E	83.6	Confident	91.5	Very high	182 Å²	182	60.3 Å²	60.3	85%	0.85	34%	0.338	S	S	*	.	S	Bend	trans	-64.7	-31.8	-175.1	-61.4	-169.5	147.5	0	0	114.8	G945	G945-E947 PolarHBondContact O-N 3.41Å
948	K	93	Very high	92.2	Very high	37 Å²	37	54.3 Å²	54.3	16%	0.161	31%	0.305	C	S	.	.	S	Bend	trans	-118.3	155.3	-176.9	-64.8	174.2	-176.1	167.5	0	109.6	A943 G946 D1191	A943-K948 WeakPolarHBondContact CB-O 3.18Å; A943-K948 PolarHBondContact N-O 3.06Å; G946-K948 VanDerWaalsContact C-N 3.33Å; G946-K948 PolarHBondContact O-N 3.11Å; K948-D1191 IonicContact NZ-OD2 3.67Å; K948-D1191 PolarHBondContact NZ-OD2 3.14Å
949	L	95.3	Very high	92.5	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.094	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	156.3	169	-59	180	0	0	0	110.5	L927 Y930 F940 E941 F1056 L1057 Q1058	L927-L949 HydrophobicContact CD2-CD1 3.93Å; Y930-L949 HydrophobicContact CD1-CD1 3.78Å; Y930-L949 HydrophobicContact CD2-CD1 4Å; Y930-L949 HydrophobicContact CE1-CD1 3.84Å; Y930-L949 HydrophobicContact CE1-CD2 3.92Å; Y930-L949 HydrophobicContact CE2-CD1 4.06Å; Y930-L949 HydrophobicContact CE2-CD2 4.19Å; Y930-L949 HydrophobicContact CG-CD1 3.86Å; F940-L949 HydrophobicContact CB-CB 4.28Å; F940-L949 HydrophobicContact CB-CD1 4.18Å; F940-L949 HydrophobicContact CG-CD1 4.45Å; E941-L949 CarbonylContact O-C 3.49Å; E941-L949 WeakPolarHBondContact O-CA 3.43Å; L949-F1056 PolarHBondContact N-O 3.37Å; L949-L1057 HydrophobicContact CB-CD2 3.98Å; L949-L1057 CarbonylContact O-C 3.58Å; L949-L1057 VanDerWaalsContact O-CA 3.31Å; L949-L1057 WeakPolarHBondContact O-CA 3.49Å; L949-Q1058 PolarHBondContact O-N 3.27Å
950	Q	95.7	Very high	92.6	Very high	50 Å²	50	53.9 Å²	53.9	23%	0.234	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	166.2	169.2	67.5	-172.7	32	0	0	110	F940 E941 A943 Q1058	F940-Q950 CarbonylContact C-O 3.42Å; F940-Q950 VanDerWaalsContact CA-O 3.23Å; F940-Q950 WeakPolarHBondContact CA-O 3.39Å; E941-Q950 HydrophobicContact CG-CG 3.54Å; E941-Q950 PolarHBondContact N-O 2.86Å; E941-Q950 PolarHBondContact O-N 3.21Å; E941-Q950 PolarHBondContact OE1-NE2 3.41Å; A943-Q950 HydrophobicContact CB-CB 4.1Å; A943-Q950 HydrophobicContact CB-CG 4.19Å; Q950-Q1058 HydrophobicContact CB-CB 4.03Å; Q950-Q1058 HydrophobicContact CB-CG 3.93Å
951	I	96.4	Very high	92.6	Very high	30 Å²	30	53.9 Å²	53.9	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.3	171.4	-67	-71.7	0	0	0	108.6	I939 F940 V955 F957 I1060	I939-I951 HydrophobicContact CD1-CD1 3.86Å; I939-I951 HydrophobicContact CG1-CD1 4.21Å; F940-I951 HydrophobicContact CD1-CD1 3.65Å; F940-I951 HydrophobicContact CD1-CG1 4.41Å; F940-I951 HydrophobicContact CE1-CD1 3.43Å; F940-I951 VanDerWaalsContact CE1-CD1 3.43Å; F940-I951 HydrophobicContact CE1-CG1 4.32Å; F940-I951 HydrophobicContact CZ-CD1 4.42Å; I951-V955 HydrophobicContact CG2-CB 3.73Å; I951-V955 HydrophobicContact CG2-CG1 3.87Å; I951-V955 WeakPolarHBondContact CG2-O 3.4Å; I951-F957 HydrophobicContact CD1-CE2 3.75Å; I951-F957 HydrophobicContact CD1-CZ 3.99Å; I951-F957 HydrophobicContact CG1-CE2 3.97Å; I951-F957 HydrophobicContact CG2-CE2 4.06Å; I951-I1060 HydrophobicContact CD1-CD1 3.91Å; I951-I1060 HydrophobicContact CG1-CD1 3.59Å; I951-I1060 HydrophobicContact CG1-CG1 3.76Å; I951-I1060 HydrophobicContact CG1-CG2 4.19Å
952	K	95.4	Very high	92.5	Very high	45 Å²	45	52.6 Å²	52.6	20%	0.196	30%	0.298	C	S	.	.			trans	-57	137.5	175.3	-76.2	176.9	173.3	164.5	0	111.1	A935 K936 S938 I939 F940 E941 A954 V955	A935-K952 PolarHBondContact O-NZ 3.32Å; K936-K952 PolarHBondContact O-NZ 3.21Å; S938-K952 WeakPolarHBondContact O-CD 3.47Å; S938-K952 WeakPolarHBondContact O-CE 3.44Å; S938-K952 PolarHBondContact O-NZ 3.16Å; I939-K952 PolarHBondContact O-N 2.55Å; F940-K952 WeakPolarHBondContact O-CE 3.05Å; E941-K952 HydrophobicContact CB-CG 3.93Å; E941-K952 HydrophobicContact CG-CG 4.1Å; E941-K952 WeakPolarHBondContact OE2-CG 3.35Å; K952-A954 PolarHBondContact O-N 2.98Å; K952-V955 HydrophobicContact CB-CB 4.47Å; K952-V955 HydrophobicContact CB-CG2 3.98Å; K952-V955 WeakPolarHBondContact O-CB 3.47Å; K952-V955 PolarHBondContact O-N 2.97Å
953	K	93	Very high	92.4	Very high	194 Å²	194	50.1 Å²	50.1	84%	0.843	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.4	-175.7	-66	-177.2	-179.1	178.4	0	115.6
954	A	94.6	Very high	92.3	Very high	58 Å²	58	50.1 Å²	50.1	48%	0.479	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-29.7	177.8	0	0	0	0	0	112.8	K876 D877 K952	K876-A954 CarbonylContact C-O 3.54Å; K876-A954 CarbonylContact O-C 3.56Å; K876-A954 WeakPolarHBondContact O-CB 3.38Å; K876-A954 VanDerWaalsContact O-O 3.12Å; D877-A954 HydrophobicContact CB-CB 4.47Å; K952-A954 PolarHBondContact O-N 2.98Å
955	V	96.7	Very high	92.9	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.097	24%	0.241	C	C	.	.			trans	-76.9	126.9	-178.3	179.3	0	0	0	0	109.6	M874 K875 K876 I939 I951 K952 F957	M874-V955 HydrophobicContact CG-CG1 3.9Å; M874-V955 HydrophobicContact SD-CG1 4.09Å; K875-V955 CarbonylContact O-C 3.11Å; K875-V955 WeakPolarHBondContact O-CA 3.48Å; K876-V955 PolarHBondContact O-N 3.13Å; I939-V955 HydrophobicContact CB-CG1 4.36Å; I939-V955 HydrophobicContact CG2-CG1 4.43Å; I951-V955 HydrophobicContact CG2-CB 3.73Å; I951-V955 HydrophobicContact CG2-CG1 3.87Å; I951-V955 WeakPolarHBondContact CG2-O 3.4Å; K952-V955 HydrophobicContact CB-CB 4.47Å; K952-V955 HydrophobicContact CB-CG2 3.98Å; K952-V955 WeakPolarHBondContact O-CB 3.47Å; K952-V955 PolarHBondContact O-N 2.97Å; V955-F957 HydrophobicContact CG1-CE2 4.37Å; V955-F957 HydrophobicContact CG1-CZ 4.04Å
956	S	97.8	Very high	93.7	Very high	25 Å²	25	38.1 Å²	38.1	18%	0.175	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.6	-177.7	55.1	0	0	0	0	112.4	M874 K875 H958	M874-S956 WeakPolarHBondContact CA-O 3.4Å; K875-S956 PolarHBondContact N-O 3.33Å; K875-S956 PolarHBondContact O-N 3.06Å; S956-H958 PolarHBondContact OG-NE2 3.34Å
957	F	98.6	Very high	94.6	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.7	-176.8	-60.8	-71.2	0	0	0	111.7	I872 I873 M874 V885 F919 F922 I939 I951 V955 I1060 L1062 K1063	I872-F957 HydrophobicContact CG2-CB 4.26Å; I872-F957 HydrophobicContact CG2-CD1 4.27Å; I873-F957 CarbonylContact O-C 3.59Å; I873-F957 WeakPolarHBondContact O-CA 3.49Å; M874-F957 HydrophobicContact CB-CD1 3.82Å; M874-F957 HydrophobicContact CB-CE1 3.67Å; M874-F957 HydrophobicContact CG-CD1 3.99Å; M874-F957 HydrophobicContact CG-CE1 3.48Å; M874-F957 VanDerWaalsContact CG-CE1 3.48Å; M874-F957 HydrophobicContact CG-CZ 4.23Å; M874-F957 HydrophobicContact SD-CE1 3.72Å; M874-F957 HydrophobicContact SD-CZ 4.18Å; V885-F957 HydrophobicContact CG2-CD1 4.44Å; V885-F957 HydrophobicContact CG2-CE1 4.49Å; F919-F957 AromaticContact CE2-CD1 3.63Å; F919-F957 HydrophobicContact CE2-CD1 3.63Å; F919-F957 HydrophobicContact CE2-CD2 4.48Å; F919-F957 AromaticContact CE2-CE1 3.51Å; F919-F957 HydrophobicContact CE2-CE1 3.51Å; F919-F957 HydrophobicContact CE2-CE2 4.38Å; F919-F957 HydrophobicContact CE2-CG 4.14Å; F919-F957 AromaticContact CE2-CZ 3.92Å; F919-F957 HydrophobicContact CE2-CZ 3.92Å; F919-F957 AromaticContact CZ-CD1 3.95Å; F919-F957 HydrophobicContact CZ-CD1 3.95Å; F919-F957 AromaticContact CZ-CD2 3.99Å; F919-F957 HydrophobicContact CZ-CD2 3.99Å; F919-F957 AromaticContact CZ-CE1 3.93Å; F919-F957 HydrophobicContact CZ-CE1 3.93Å; F919-F957 AromaticContact CZ-CE2 3.97Å; F919-F957 HydrophobicContact CZ-CE2 3.97Å; F919-F957 AromaticContact CZ-CG 3.99Å; F919-F957 HydrophobicContact CZ-CG 3.99Å; F919-F957 AromaticContact CZ-CZ 3.94Å; F919-F957 HydrophobicContact CZ-CZ 3.94Å; F922-F957 HydrophobicContact CE1-CE1 4.27Å; I939-F957 HydrophobicContact CD1-CZ 4.35Å; I951-F957 HydrophobicContact CD1-CE2 3.75Å; I951-F957 HydrophobicContact CD1-CZ 3.99Å; I951-F957 HydrophobicContact CG1-CE2 3.97Å; I951-F957 HydrophobicContact CG2-CE2 4.06Å; V955-F957 HydrophobicContact CG1-CE2 4.37Å; V955-F957 HydrophobicContact CG1-CZ 4.04Å; F957-I1060 HydrophobicContact CD2-CG2 3.77Å; F957-I1060 HydrophobicContact CE2-CG2 3.87Å; F957-L1062 HydrophobicContact CB-CD2 4.36Å; F957-L1062 CarbonylContact O-C 3.3Å; F957-L1062 WeakPolarHBondContact O-CA 3.47Å; F957-K1063 PolarHBondContact O-N 3.43Å
958	H	98.4	Very high	95.1	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.4	-172.5	-50.2	-75.7	0	0	0	109.4	F840 I844 I872 I873 S956 S1064	F840-H958 AromaticContact CZ-CE1 3.92Å; F840-H958 AromaticContact CZ-ND1 3.65Å; I844-H958 HydrophobicContact CD1-CB 3.74Å; I844-H958 HydrophobicContact CG1-CB 4.41Å; I872-H958 CarbonylContact C-O 3.57Å; I872-H958 WeakPolarHBondContact CA-O 3.08Å; I873-H958 HydrophobicContact CB-CB 4.35Å; I873-H958 PolarHBondContact N-O 3.46Å; I873-H958 PolarHBondContact O-N 3.03Å; S956-H958 PolarHBondContact OG-NE2 3.34Å; H958-S1064 WeakPolarHBondContact CB-OG 3.21Å; H958-S1064 PolarHBondContact ND1-OG 2.95Å
959	L	98.7	Very high	95	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.1	179.5	176.8	64.1	0	0	0	110.3	A871 I872 I961 I1040 L1062 S1064 V1065 T1066	A871-L959 WeakPolarHBondContact O-CA 3.35Å; I872-L959 HydrophobicContact CG1-CD1 3.83Å; L959-I961 HydrophobicContact CD1-CG1 4.33Å; L959-I961 HydrophobicContact CD2-CD1 3.98Å; L959-I961 HydrophobicContact CD2-CG1 4.1Å; L959-I961 HydrophobicContact CG-CD1 4.35Å; L959-I961 HydrophobicContact CG-CG1 3.9Å; L959-I1040 HydrophobicContact CD2-CD1 4.38Å; L959-L1062 HydrophobicContact CB-CD1 3.7Å; L959-L1062 HydrophobicContact CB-CD2 3.88Å; L959-L1062 HydrophobicContact CB-CG 4.42Å; L959-L1062 HydrophobicContact CD2-CD1 3.83Å; L959-L1062 HydrophobicContact CG-CD1 4.42Å; L959-S1064 PolarHBondContact N-O 2.68Å; L959-V1065 HydrophobicContact CB-CG2 4.42Å; L959-V1065 CarbonylContact O-C 3.43Å; L959-V1065 WeakPolarHBondContact O-CA 3.32Å; L959-T1066 PolarHBondContact O-N 3.21Å
960	Y	97.9	Very high	94.7	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.1	161.8	178.7	-111.6	0	0	0	110.5	A845 S848 H849 L869 A870 A871 T1066 V1109	A845-Y960 HydrophobicContact CB-CD2 3.84Å; A845-Y960 HydrophobicContact CB-CE2 3.46Å; A845-Y960 VanDerWaalsContact CB-CE2 3.46Å; S848-Y960 WeakPolarHBondContact OG-CB 3.46Å; S848-Y960 WeakPolarHBondContact OG-CD1 3.38Å; H849-Y960 AromaticContact NE2-CE1 3.95Å; H849-Y960 AromaticContact NE2-CZ 3.74Å; H849-Y960 PolarHBondContact NE2-OH 2.98Å; L869-Y960 HydrophobicContact CD2-CE1 4.28Å; L869-Y960 HydrophobicContact CG-CE1 4.43Å; A870-Y960 CarbonylContact C-O 3.56Å; A870-Y960 WeakPolarHBondContact CA-O 3.31Å; A870-Y960 WeakPolarHBondContact CB-O 3.33Å; A871-Y960 PolarHBondContact N-O 2.69Å; A871-Y960 PolarHBondContact O-N 3.12Å; Y960-T1066 WeakPolarHBondContact CA-O 3.41Å; Y960-T1066 HydrophobicContact CD2-CG2 3.92Å; Y960-T1066 HydrophobicContact CE2-CG2 4.37Å; Y960-V1109 HydrophobicContact CE2-CG1 4.48Å
961	I	95.8	Very high	94.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131	164.4	-37.5	177.1	0	0	0	108.5	I868 A870 E912 L959 T963 P965 I1040 T1066 L1067 G1068	I868-I961 HydrophobicContact CG2-CG2 4.3Å; A870-I961 HydrophobicContact CB-CG1 4.5Å; A870-I961 HydrophobicContact CB-CG2 4.23Å; E912-I961 HydrophobicContact CB-CD1 3.98Å; E912-I961 HydrophobicContact CB-CG1 4.3Å; E912-I961 HydrophobicContact CB-CG2 4.47Å; E912-I961 HydrophobicContact CG-CD1 4.37Å; L959-I961 HydrophobicContact CD1-CG1 4.33Å; L959-I961 HydrophobicContact CD2-CD1 3.98Å; L959-I961 HydrophobicContact CD2-CG1 4.1Å; L959-I961 HydrophobicContact CG-CD1 4.35Å; L959-I961 HydrophobicContact CG-CG1 3.9Å; I961-T963 WeakPolarHBondContact CB-O 3.47Å; I961-T963 WeakPolarHBondContact CG2-O 3.09Å; I961-T963 PolarHBondContact O-N 3.37Å; I961-P965 HydrophobicContact CD1-CB 4.02Å; I961-P965 HydrophobicContact CD1-CG 4.29Å; I961-I1040 HydrophobicContact CD1-CD1 3.91Å; I961-T1066 PolarHBondContact N-O 2.84Å; I961-L1067 HydrophobicContact CB-CD2 3.98Å; I961-L1067 HydrophobicContact CD1-CD2 4.29Å; I961-L1067 HydrophobicContact CG1-CD2 4.33Å; I961-L1067 CarbonylContact O-C 3.58Å; I961-L1067 WeakPolarHBondContact O-CA 3.27Å; I961-G1068 PolarHBondContact O-N 3.17Å
962	S	91.1	Very high	93.3	Very high	24 Å²	24	27 Å²	27	17%	0.168	15%	0.153	C	C	.	.	S	Bend	trans	-70.1	-4.4	-177.3	75.6	0	0	0	0	114.5	L869 Y1069	L869-S962 PolarHBondContact N-OG 2.88Å; L869-S962 PolarHBondContact O-N 2.94Å; L869-S962 PolarHBondContact O-OG 3.38Å; S962-Y1069 VanDerWaalsContact O-CB 3.26Å; S962-Y1069 WeakPolarHBondContact O-CB 3.19Å; S962-Y1069 PolarHBondContact O-N 3.47Å
963	T	89.4	Confident	92.2	Very high	25 Å²	25	29.7 Å²	29.7	15%	0.153	17%	0.17	C	C	.	.	S	Bend	trans	-157.7	161.7	171.5	-178.1	0	0	0	0	109.8	I868 I961 Y1069	I868-T963 HydrophobicContact CD1-CG2 3.74Å; I868-T963 HydrophobicContact CG1-CG2 4Å; I868-T963 HydrophobicContact CG2-CG2 3.99Å; I961-T963 WeakPolarHBondContact CB-O 3.47Å; I961-T963 WeakPolarHBondContact CG2-O 3.09Å; I961-T963 PolarHBondContact O-N 3.37Å; T963-Y1069 CarbonylContact C-O 3.49Å; T963-Y1069 VanDerWaalsContact CA-O 3.23Å; T963-Y1069 WeakPolarHBondContact CA-O 3.44Å
964	A	91.6	Very high	90.8	Very high	6 Å²	6	24.5 Å²	24.5	5%	0.05	15%	0.147	C	C	.	.			trans	-41.7	133.3	168.8	0	0	0	0	0	113.3	C966 G969 A970 L1067 Y1069 L1070	A964-C966 PolarHBondContact O-N 2.95Å; A964-G969 WeakPolarHBondContact CB-O 3.13Å; A964-A970 HydrophobicContact CB-CB 3.95Å; A964-L1067 HydrophobicContact CB-CD1 4.21Å; A964-Y1069 PolarHBondContact N-O 3.24Å; A964-L1070 HydrophobicContact CB-CB 3.76Å; A964-L1070 WeakPolarHBondContact CB-O 3.43Å
965	P	94.9	Very high	89.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.			trans	-66.8	129	177.7	28.2	-33.9	0	0	0	109.9	I961 G967 C1036 S1037 I1040 L1076	I961-P965 HydrophobicContact CD1-CB 4.02Å; I961-P965 HydrophobicContact CD1-CG 4.29Å; P965-G967 PolarHBondContact O-N 2.95Å; P965-C1036 HydrophobicContact CB-CB 3.88Å; P965-S1037 PolarHBondContact O-OG 3.07Å; P965-I1040 HydrophobicContact CB-CD1 3.58Å; P965-I1040 HydrophobicContact CG-CD1 3.78Å; P965-L1076 HydrophobicContact CG-CD1 4.2Å
966	C	94.4	Very high	87.1	Confident	20 Å²	20	27.7 Å²	27.7	14%	0.135	17%	0.166	C	C	.	.	S	Bend	trans	-57.9	137.9	-176	70	0	0	0	0	111.9	H910 A964 K1003 T1010 S1035 C1036 S1037	H910-C966 PolarHBondContact CE1-SG 2.65Å; A964-C966 PolarHBondContact O-N 2.95Å; C966-K1003 VanDerWaalsContact SG-CE 3.59Å; C966-T1010 HydrophobicContact CB-CG2 4.27Å; C966-S1035 VanDerWaalsContact O-CB 3.28Å; C966-S1035 WeakPolarHBondContact O-CB 3.27Å; C966-C1036 WeakPolarHBondContact O-CA 3.18Å; C966-C1036 PolarHBondContact O-N 2.71Å; C966-S1037 PolarHBondContact O-N 3.36Å; C966-S1037 PolarHBondContact O-OG 2.89Å
967	G	94.6	Very high	85.1	Confident	5 Å²	5	29.2 Å²	29.2	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	128.9	-149.9	-170.4	0	0	0	0	0	110.7	P965 G969 A970 S1037	P965-G967 PolarHBondContact O-N 2.95Å; G967-G969 PolarHBondContact O-N 3.44Å; G967-A970 PolarHBondContact O-N 2.94Å; G967-S1037 VanDerWaalsContact CA-OG 3.26Å; G967-S1037 WeakPolarHBondContact CA-OG 3.32Å
968	D	94.3	Very high	82.9	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.5	-31.2	178.2	-176.9	50.6	0	0	0	113.2	A970 L971 G998 S1037 R1078 A1079	D968-A970 PolarHBondContact O-N 2.97Å; D968-A970 VanDerWaalsContact O-N 3.1Å; D968-L971 WeakPolarHBondContact O-CB 3.35Å; D968-L971 PolarHBondContact O-N 2.96Å; D968-G998 VanDerWaalsContact CG-N 3.29Å; D968-G998 PolarHBondContact OD1-N 3.07Å; D968-G998 WeakPolarHBondContact OD2-CA 3.46Å; D968-G998 PolarHBondContact OD2-N 3.36Å; D968-S1037 PolarHBondContact N-OG 3.24Å; D968-R1078 PolarHBondContact O-NH2 2.89Å; D968-R1078 IonicContact OD1-CZ 3.41Å; D968-R1078 IonicContact OD1-NE 2.86Å; D968-R1078 PolarHBondContact OD1-NE 2.95Å; D968-R1078 IonicContact OD1-NH2 3.28Å; D968-R1078 PolarHBondContact OD1-NH2 3.1Å; D968-R1078 IonicContact OD2-CZ 3.4Å; D968-R1078 IonicContact OD2-NE 2.98Å; D968-R1078 PolarHBondContact OD2-NE 3.25Å; D968-R1078 IonicContact OD2-NH2 3.78Å; D968-A1079 HydrophobicContact CB-CB 3.91Å; D968-A1079 WeakPolarHBondContact OD2-CA 3.24Å; D968-A1079 WeakPolarHBondContact OD2-CB 2.95Å
969	G	90	Very high	80.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.01	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-71.1	-4.5	180	0	0	0	0	0	114.6	A964 G967 S1037	A964-G969 WeakPolarHBondContact CB-O 3.13Å; G967-G969 PolarHBondContact O-N 3.44Å; G969-S1037 PolarHBondContact N-OG 3.26Å
970	A	88.8	Confident	77.7	Confident	42 Å²	42	46.8 Å²	46.8	35%	0.347	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-119.5	16.2	172.9	0	0	0	0	0	112	A964 G967 D968	A964-A970 HydrophobicContact CB-CB 3.95Å; G967-A970 PolarHBondContact O-N 2.94Å; D968-A970 PolarHBondContact O-N 2.97Å; D968-A970 VanDerWaalsContact O-N 3.1Å
971	L	84.3	Confident	74.9	Confident	56 Å²	56	54.5 Å²	54.5	29%	0.293	30%	0.302	S	S	.	.			trans	-102.4	71.6	-177.9	-171.8	69.6	0	0	0	110.5	D968 Q997	D968-L971 WeakPolarHBondContact O-CB 3.35Å; D968-L971 PolarHBondContact O-N 2.96Å; L971-Q997 HydrophobicContact CD2-CG 4.21Å
972	F	79.1	Confident	72.5	Confident	32 Å²	32	62.5 Å²	62.5	14%	0.14	34%	0.339	C	S	.	.	S	Bend	trans	-155.2	159.3	175.2	65.1	-75.3	0	0	0	110.7	C976 L1070 H1075	F972-C976 HydrophobicContact CD2-CB 4.36Å; F972-L1070 HydrophobicContact CE1-CB 4.38Å; F972-L1070 HydrophobicContact CZ-CB 4.01Å; F972-L1070 HydrophobicContact CZ-CD2 4.16Å; F972-H1075 HydrophobicContact CB-CB 4.49Å; F972-H1075 VanDerWaalsContact CB-CD2 3.44Å; F972-H1075 WeakPolarHBondContact CB-CD2 3.2Å; F972-H1075 HydrophobicContact CD1-CB 3.98Å; F972-H1075 HydrophobicContact CE1-CB 4.38Å; F972-H1075 HydrophobicContact CG-CB 4.25Å; F972-H1075 AromaticContact CG-CG 3.84Å
973	D	71.3	Confident	70.1	Confident	101 Å²	101	64 Å²	64	54%	0.54	35%	0.349	S	S	.	.			trans	-79	151.2	169.6	-175.5	42.1	0	0	0	111.4	S975 C976	D973-S975 PolarHBondContact O-N 2.92Å; D973-S975 VanDerWaalsContact OD2-CB 3.3Å; D973-S975 WeakPolarHBondContact OD2-CB 3.18Å; D973-S975 PolarHBondContact OD2-N 3.12Å; D973-S975 PolarHBondContact OD2-OG 2.73Å; D973-C976 WeakPolarHBondContact O-CB 3.34Å; D973-C976 PolarHBondContact O-N 3.17Å; D973-C976 VanDerWaalsContact O-N 3.1Å
974	K	63.8	Low	67.9	Low	84 Å²	84	69.8 Å²	69.8	37%	0.365	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-72.1	-17.3	-176.5	-54.9	-163.7	178.7	-152.9	0	113.7	S977 Y1069 L1070	K974-S977 PolarHBondContact O-OG 3.28Å; K974-Y1069 PolarHBondContact NZ-OH 3.31Å; K974-L1070 HydrophobicContact CD-CD2 4.11Å; K974-L1070 HydrophobicContact CG-CD2 3.94Å
975	S	59.9	Low	65.7	Low	94 Å²	94	74.9 Å²	74.9	66%	0.657	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-63.8	-33.4	168.9	57.9	0	0	0	0	111.8	D973 S977	D973-S975 PolarHBondContact O-N 2.92Å; D973-S975 VanDerWaalsContact OD2-CB 3.3Å; D973-S975 WeakPolarHBondContact OD2-CB 3.18Å; D973-S975 PolarHBondContact OD2-N 3.12Å; D973-S975 PolarHBondContact OD2-OG 2.73Å; S975-S977 PolarHBondContact O-N 2.78Å; S975-S977 VanDerWaalsContact O-N 3.13Å
976	C	53.8	Low	64	Low	47 Å²	47	79.8 Å²	79.8	32%	0.318	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-78.8	18.8	179.2	-45.9	0	0	0	0	113.7	F972 D973 D978	F972-C976 HydrophobicContact CD2-CB 4.36Å; D973-C976 WeakPolarHBondContact O-CB 3.34Å; D973-C976 PolarHBondContact O-N 3.17Å; D973-C976 VanDerWaalsContact O-N 3.1Å; C976-D978 PolarHBondContact O-N 3.16Å
977	S	55.8	Low	63.3	Low	58 Å²	58	86.1 Å²	86.1	41%	0.406	46%	0.463	S	S	.	.			trans	-77.5	106.9	171.4	65.9	0	0	0	0	109.5	K974 S975 R979	K974-S977 PolarHBondContact O-OG 3.28Å; S975-S977 PolarHBondContact O-N 2.78Å; S975-S977 VanDerWaalsContact O-N 3.13Å; S977-R979 PolarHBondContact O-N 2.8Å
978	D	53.8	Low	63.1	Low	67 Å²	67	87.3 Å²	87.3	36%	0.358	47%	0.468	S	S	.	.			trans	-46.7	130.7	-173.8	-56.2	-61.5	0	0	0	112.6	C976 A980 S1072 Q1073 R1108	C976-D978 PolarHBondContact O-N 3.16Å; D978-A980 PolarHBondContact O-N 3.09Å; D978-S1072 WeakPolarHBondContact OD2-CA 3.24Å; D978-S1072 VanDerWaalsContact OD2-CB 3.23Å; D978-S1072 WeakPolarHBondContact OD2-CB 3.41Å; D978-S1072 PolarHBondContact OD2-OG 2.91Å; D978-Q1073 PolarHBondContact OD2-N 3.05Å; D978-R1108 PolarHBondContact O-NH1 3.33Å
979	R	44.3	Very low	62.8	Low	239 Å²	239	93 Å²	93	90%	0.902	49%	0.49	S	S	*	.			trans	-57.7	138.1	161.8	-75.2	-171.4	174.9	-161.5	-0.6	107.2	S977 M981	S977-R979 PolarHBondContact O-N 2.8Å; R979-M981 VanDerWaalsContact C-N 3.31Å; R979-M981 PolarHBondContact O-N 2.81Å
980	A	41.9	Very low	62.8	Low	72 Å²	72	95 Å²	95	60%	0.595	50%	0.503	S	S	*	.			trans	-72.5	86.1	-173.3	0	0	0	0	0	110.9	D978	D978-A980 PolarHBondContact O-N 3.09Å
981	M	40.8	Very low	62.7	Low	170 Å²	170	95.4 Å²	95.4	84%	0.837	50%	0.5	S	S	*	.			trans	-72.9	121.2	155.3	-82.3	-176.8	156.5	0	0	107.9	R979 S983	R979-M981 VanDerWaalsContact C-N 3.31Å; R979-M981 PolarHBondContact O-N 2.81Å; M981-S983 PolarHBondContact O-N 2.74Å
982	E	44.3	Very low	62.9	Low	169 Å²	169	96.1 Å²	96.1	79%	0.79	50%	0.502	S	S	*	.			trans	-76.4	73.3	167.8	-65.7	-162.3	115.8	0	0	109.5	T984	E982-T984 PolarHBondContact O-N 3.32Å
983	S	41.3	Very low	63.1	Low	55 Å²	55	100 Å²	100	39%	0.385	52%	0.52	S	S	.	.			trans	-64.1	106.3	169.3	65.6	0	0	0	0	108.5	M981 E985	M981-S983 PolarHBondContact O-N 2.74Å; S983-E985 PolarHBondContact O-N 2.73Å
984	T	43	Very low	63.6	Low	147 Å²	147	98.7 Å²	98.7	90%	0.902	51%	0.513	S	S	*	.			trans	-63.9	-23.5	176.6	46.3	0	0	0	0	112.1	E982	E982-T984 PolarHBondContact O-N 3.32Å
985	E	45.1	Very low	64.4	Low	112 Å²	112	100 Å²	100	52%	0.523	53%	0.53	S	S	.	.	S	Bend	trans	-72.5	142.5	172	-59.1	-165.9	162.5	0	0	113.5	S983 R987	S983-E985 PolarHBondContact O-N 2.73Å; E985-R987 HydrophobicContact CB-CB 4.22Å; E985-R987 PolarHBondContact O-N 2.78Å; E985-R987 VanDerWaalsContact O-N 3.11Å
986	S	60.3	Low	65.4	Low	104 Å²	104	102.5 Å²	102.5	73%	0.727	53%	0.529	S	S	*	.			trans	-79.6	23.2	171.9	65.6	0	0	0	0	113.9	H988	S986-H988 PolarHBondContact O-CD2 3.07Å
987	R	79.9	Confident	67	Low	152 Å²	152	101 Å²	101	57%	0.574	52%	0.517	S	S	*	.			trans	-79.1	132.3	-171.4	-164	158.4	177.3	-176.7	1.8	110.8	E985 Y989 Q1073	E985-R987 HydrophobicContact CB-CB 4.22Å; E985-R987 PolarHBondContact O-N 2.78Å; E985-R987 VanDerWaalsContact O-N 3.11Å; R987-Y989 HydrophobicContact CB-CE2 3.97Å; R987-Y989 WeakPolarHBondContact CD-OH 3.34Å; R987-Y989 HydrophobicContact CG-CE1 4.11Å; R987-Y989 HydrophobicContact CG-CE2 4.15Å; R987-Q1073 PolarHBondContact O-NE2 3.44Å; R987-Q1073 VanDerWaalsContact O-NE2 3.14Å
988	H	89.4	Confident	68.7	Low	31 Å²	31	98.2 Å²	98.2	14%	0.144	50%	0.498	C	S	.	.			trans	-94.8	128.8	179.3	-71.9	-164	0	0	0	110	S986 P990 T1077 C1081 C1082 H1103 P1104	S986-H988 PolarHBondContact O-CD2 3.07Å; H988-P990 VanDerWaalsContact O-CD 3.24Å; H988-P990 WeakPolarHBondContact O-CD 3.25Å; H988-T1077 HydrophobicContact CB-CG2 4.03Å; H988-T1077 WeakPolarHBondContact CE1-CB 3.39Å; H988-T1077 WeakPolarHBondContact ND1-CG2 3.29Å; H988-C1081 PolarHBondContact CE1-SG 3.27Å; H988-C1081 PolarHBondContact ND1-SG 3.13Å; H988-C1081 VanDerWaalsContact ND1-SG 3.37Å; H988-C1081 PolarHBondContact NE2-SG 2.89Å; H988-C1082 WeakPolarHBondContact CB-SG 3.27Å; H988-C1082 PolarHBondContact CE1-SG 3.39Å; H988-C1082 PolarHBondContact ND1-SG 2.9Å; H988-C1082 VanDerWaalsContact ND1-SG 3.35Å; H988-H1103 AromaticContact CE1-CE1 3.75Å; H988-H1103 AromaticContact CE1-CG 3.87Å; H988-H1103 AromaticContact CE1-ND1 2.92Å; H988-H1103 PolarHBondContact CE1-ND1 3.4Å; H988-H1103 AromaticContact ND1-ND1 3.29Å; H988-H1103 PolarHBondContact ND1-ND1 3.28Å; H988-H1103 VanDerWaalsContact NE2-CA 3.35Å; H988-H1103 WeakPolarHBondContact NE2-CA 3.29Å; H988-P1104 VanDerWaalsContact NE2-CD 3.33Å; H988-P1104 WeakPolarHBondContact NE2-CD 3.31Å; H988-P1104 PolarHBondContact NE2-O 3.11Å
989	Y	87.3	Confident	70.6	Confident	120 Å²	120	98.9 Å²	98.9	47%	0.471	50%	0.498	S	S	.	.			trans	-115.6	76.6	178.7	-62	-74.3	0	0	0	109.8	R987 V991 G1074	R987-Y989 HydrophobicContact CB-CE2 3.97Å; R987-Y989 WeakPolarHBondContact CD-OH 3.34Å; R987-Y989 HydrophobicContact CG-CE1 4.11Å; R987-Y989 HydrophobicContact CG-CE2 4.15Å; Y989-V991 PolarHBondContact O-N 3.01Å; Y989-G1074 WeakPolarHBondContact O-CA 3.34Å
990	P	90.4	Very high	73	Confident	44 Å²	44	87.5 Å²	87.5	29%	0.286	46%	0.455	S	S	.	.			trans	-70.6	126.2	-174.7	31.5	-37.6	0	0	0	111.6	H988 F992 R1078 C1082	H988-P990 VanDerWaalsContact O-CD 3.24Å; H988-P990 WeakPolarHBondContact O-CD 3.25Å; P990-F992 HydrophobicContact CB-CD2 4.42Å; P990-F992 HydrophobicContact CB-CE2 3.77Å; P990-F992 HydrophobicContact CG-CE2 4.02Å; P990-R1078 HydrophobicContact CB-CB 4.04Å; P990-C1082 HydrophobicContact CB-CB 3.68Å; P990-C1082 HydrophobicContact CG-CB 3.73Å
991	V	86.8	Confident	75.6	Confident	49 Å²	49	85.4 Å²	85.4	30%	0.297	43%	0.431	S	S	.	.			trans	-91.2	132.2	-177.6	167.5	0	0	0	0	110.1	Y989 E993 R1078	Y989-V991 PolarHBondContact O-N 3.01Å; V991-E993 HydrophobicContact CG1-CG 3.6Å; V991-E993 WeakPolarHBondContact CG1-OE1 3.33Å; V991-R1078 VanDerWaalsContact O-CD 3.31Å; V991-R1078 WeakPolarHBondContact O-CD 3.43Å; V991-R1078 PolarHBondContact O-NH1 2.85Å
992	F	88.3	Confident	78.1	Confident	72 Å²	72	77.3 Å²	77.3	32%	0.316	39%	0.391	S	S	.	.			trans	-131.6	75.6	178.6	-68.1	-93	0	0	0	111.1	P990 N994 R1078 R1083 R1086	P990-F992 HydrophobicContact CB-CD2 4.42Å; P990-F992 HydrophobicContact CB-CE2 3.77Å; P990-F992 HydrophobicContact CG-CE2 4.02Å; F992-N994 VanDerWaalsContact C-N 3.33Å; F992-R1078 HydrophobicContact CD1-CG 4.26Å; F992-R1078 HydrophobicContact CE1-CG 3.65Å; F992-R1078 HydrophobicContact CE2-CG 4.37Å; F992-R1078 HydrophobicContact CZ-CG 3.72Å; F992-R1083 HydrophobicContact CE1-CB 4.35Å; F992-R1083 HydrophobicContact CZ-CB 4.22Å; F992-R1086 HydrophobicContact CD2-CG 4.45Å; F992-R1086 HydrophobicContact CE1-CG 4.48Å; F992-R1086 HydrophobicContact CE2-CB 4.37Å; F992-R1086 HydrophobicContact CE2-CG 3.77Å; F992-R1086 HydrophobicContact CZ-CB 4.06Å; F992-R1086 HydrophobicContact CZ-CG 3.79Å
993	E	83.2	Confident	80.5	Confident	113 Å²	113	69.5 Å²	69.5	53%	0.528	36%	0.355	S	S	.	.			trans	-75.5	-19.2	-178.6	-60.6	146.5	168.7	0	0	113.3	V991 Q997 H1075	V991-E993 HydrophobicContact CG1-CG 3.6Å; V991-E993 WeakPolarHBondContact CG1-OE1 3.33Å; E993-Q997 PolarHBondContact OE2-NE2 3.34Å; E993-H1075 IonicContact OE1-CE1 3.63Å; E993-H1075 PolarHBondContact OE1-CE1 3.42Å; E993-H1075 IonicContact OE1-NE2 2.77Å; E993-H1075 IonicContact OE2-CE1 2.78Å; E993-H1075 IonicContact OE2-NE2 3.26Å; E993-H1075 PolarHBondContact OE2-NE2 2.87Å
994	N	82.4	Confident	82.6	Confident	74 Å²	74	69.3 Å²	69.3	40%	0.396	35%	0.351	S	S	.	.	S	Bend	trans	-152.5	137.4	-168.7	-164.6	-79.5	0	0	0	113.2	F992 K996 Q997	F992-N994 VanDerWaalsContact C-N 3.33Å; N994-K996 PolarHBondContact O-N 3.18Å; N994-K996 VanDerWaalsContact OD1-CB 3.23Å; N994-K996 WeakPolarHBondContact OD1-CB 3.41Å; N994-K996 VanDerWaalsContact OD1-CG 3.29Å; N994-K996 WeakPolarHBondContact OD1-CG 3.37Å; N994-K996 PolarHBondContact OD1-N 2.93Å; N994-Q997 HydrophobicContact CB-CG 4.28Å; N994-Q997 WeakPolarHBondContact O-CB 2.95Å; N994-Q997 PolarHBondContact O-N 3.03Å
995	P	80.6	Confident	84.4	Confident	111 Å²	111	64.5 Å²	64.5	72%	0.721	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-6.1	174.6	-26.9	35.7	0	0	0	116.6	K999	P995-K999 WeakPolarHBondContact O-CE 3.43Å; P995-K999 PolarHBondContact O-NZ 2.79Å
996	K	80.1	Confident	85.9	Confident	146 Å²	146	64.4 Å²	64.4	64%	0.635	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.3	172.5	-61.2	168.4	-175.4	168.9	0	113.1	N994	N994-K996 PolarHBondContact O-N 3.18Å; N994-K996 VanDerWaalsContact OD1-CB 3.23Å; N994-K996 WeakPolarHBondContact OD1-CB 3.41Å; N994-K996 VanDerWaalsContact OD1-CG 3.29Å; N994-K996 WeakPolarHBondContact OD1-CG 3.37Å; N994-K996 PolarHBondContact OD1-N 2.93Å
997	Q	88.8	Confident	86.8	Confident	15 Å²	15	60.6 Å²	60.6	7%	0.07	30%	0.299	C	S	.	.	S	Bend	trans	-74.7	157.5	173	-70	177.6	-19.2	0	0	111	L971 E993 N994 K999 H1075 R1078	L971-Q997 HydrophobicContact CD2-CG 4.21Å; E993-Q997 PolarHBondContact OE2-NE2 3.34Å; N994-Q997 HydrophobicContact CB-CG 4.28Å; N994-Q997 WeakPolarHBondContact O-CB 2.95Å; N994-Q997 PolarHBondContact O-N 3.03Å; Q997-K999 PolarHBondContact O-N 3.07Å; Q997-H1075 PolarHBondContact NE2-NE2 3.45Å; Q997-R1078 VanDerWaalsContact OE1-NH1 3.11Å
998	G	90.4	Very high	86.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	70.7	-20.3	-177.6	0	0	0	0	0	115.5	D968 R1083 Y1208	D968-G998 VanDerWaalsContact CG-N 3.29Å; D968-G998 PolarHBondContact OD1-N 3.07Å; D968-G998 WeakPolarHBondContact OD2-CA 3.46Å; D968-G998 PolarHBondContact OD2-N 3.36Å; G998-R1083 WeakPolarHBondContact O-CD 3.35Å; G998-R1083 PolarHBondContact O-NH1 3.41Å; G998-Y1208 VanDerWaalsContact C-CD1 3.41Å; G998-Y1208 VanDerWaalsContact O-CD1 3.22Å; G998-Y1208 WeakPolarHBondContact O-CD1 3.38Å
999	K	94.1	Very high	86.4	Confident	81 Å²	81	57.9 Å²	57.9	35%	0.352	30%	0.304	S	S	.	.			trans	-59.8	143.6	175.6	-68.9	-170.7	171.4	174.4	0	111.9	P995 Q997 R1001	P995-K999 WeakPolarHBondContact O-CE 3.43Å; P995-K999 PolarHBondContact O-NZ 2.79Å; Q997-K999 PolarHBondContact O-N 3.07Å; K999-R1001 WeakPolarHBondContact O-CG 3.4Å
1000	L	95.8	Very high	86.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.			trans	-61.1	149.5	175.1	-67.9	-175.6	0	0	0	111	P1012 V1013 M1034 D1038 L1203 Y1208 G1209 W1211	L1000-P1012 CarbonylContact O-C 3.07Å; L1000-V1013 HydrophobicContact CB-CB 4.26Å; L1000-V1013 HydrophobicContact CB-CG2 4.06Å; L1000-V1013 PolarHBondContact O-N 3.3Å; L1000-M1034 HydrophobicContact CB-CE 3.9Å; L1000-M1034 HydrophobicContact CD1-CE 4.01Å; L1000-M1034 HydrophobicContact CD2-CE 4.23Å; L1000-M1034 HydrophobicContact CG-CE 4.29Å; L1000-D1038 HydrophobicContact CD2-CB 4.03Å; L1000-D1038 WeakPolarHBondContact CD2-OD1 3.39Å; L1000-L1203 HydrophobicContact CD1-CD1 4.31Å; L1000-L1203 HydrophobicContact CD2-CD1 4.1Å; L1000-L1203 HydrophobicContact CD2-CD2 4.23Å; L1000-Y1208 WeakPolarHBondContact CB-O 3.41Å; L1000-Y1208 WeakPolarHBondContact CG-O 3.5Å; L1000-Y1208 PolarHBondContact N-O 3.05Å; L1000-G1209 VanDerWaalsContact CD1-O 3.26Å; L1000-G1209 WeakPolarHBondContact CD1-O 3.22Å; L1000-W1211 HydrophobicContact CD1-CB 4.45Å
1001	R	95	Very high	86.7	Confident	28 Å²	28	54 Å²	54	11%	0.106	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.8	-175.5	-57	-171.9	72.4	97.9	-1.7	112.3	K999 T1010 I1011 M1034 S1035 D1038	K999-R1001 WeakPolarHBondContact O-CG 3.4Å; R1001-T1010 PolarHBondContact NE-OG1 3.38Å; R1001-T1010 PolarHBondContact NH2-O 3.26Å; R1001-I1011 CarbonylContact C-O 3.53Å; R1001-I1011 WeakPolarHBondContact CA-O 3.39Å; R1001-I1011 WeakPolarHBondContact CB-O 3.31Å; R1001-M1034 CarbonylContact O-C 3.53Å; R1001-M1034 WeakPolarHBondContact O-CA 3.44Å; R1001-S1035 WeakPolarHBondContact O-CB 3.45Å; R1001-S1035 PolarHBondContact O-N 3.46Å; R1001-D1038 PolarHBondContact N-OD2 2.96Å; R1001-D1038 VanDerWaalsContact O-OD2 3.09Å
1002	T	94.3	Very high	86.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.9	170.9	61.8	0	0	0	0	111.9	T1010 I1011 V1013 R1032 T1033 M1034 I1212	T1002-T1010 CarbonylContact O-C 3.35Å; T1002-T1010 WeakPolarHBondContact O-CA 3.45Å; T1002-T1010 WeakPolarHBondContact O-CB 3.26Å; T1002-I1011 PolarHBondContact N-O 2.94Å; T1002-I1011 PolarHBondContact O-N 3.39Å; T1002-I1011 WeakPolarHBondContact OG1-CG1 3.44Å; T1002-V1013 HydrophobicContact CG2-CG2 3.78Å; T1002-R1032 HydrophobicContact CG2-CB 4.17Å; T1002-T1033 CarbonylContact C-O 3.53Å; T1002-T1033 WeakPolarHBondContact CA-O 3.39Å; T1002-M1034 HydrophobicContact CG2-SD 3.91Å; T1002-I1212 HydrophobicContact CG2-CB 4.31Å; T1002-I1212 HydrophobicContact CG2-CG1 4.04Å
1003	K	93.4	Very high	87	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	147.6	176.6	-61.5	179.9	178.2	-166.3	0	110.9	C893 D908 H910 C966 T1010 R1030 T1033 C1036	C893-K1003 WeakPolarHBondContact SG-CD 3.35Å; D908-K1003 IonicContact OD1-NZ 3.45Å; D908-K1003 PolarHBondContact OD1-NZ 3.45Å; D908-K1003 WeakPolarHBondContact OD2-CE 3.46Å; D908-K1003 IonicContact OD2-NZ 2.85Å; D908-K1003 PolarHBondContact OD2-NZ 2.9Å; H910-K1003 PolarHBondContact CD2-NZ 3.03Å; H910-K1003 PolarHBondContact CE1-NZ 3.18Å; H910-K1003 PolarHBondContact ND1-NZ 3.08Å; H910-K1003 PolarHBondContact NE2-NZ 3.18Å; H910-K1003 VanDerWaalsContact NE2-NZ 3.1Å; C966-K1003 VanDerWaalsContact SG-CE 3.59Å; K1003-T1010 HydrophobicContact CG-CG2 4.12Å; K1003-R1030 PolarHBondContact O-NH2 3.27Å; K1003-T1033 HydrophobicContact CD-CG2 4.33Å; K1003-T1033 PolarHBondContact N-O 3.47Å; K1003-C1036 PolarHBondContact NZ-SG 3.48Å
1004	V	86.4	Confident	86.9	Confident	51 Å²	51	51.6 Å²	51.6	31%	0.309	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-82.4	129.5	172.6	-177.8	0	0	0	0	108.7	G1007 G1009 I1011	V1004-G1007 PolarHBondContact O-N 3.26Å; V1004-G1009 PolarHBondContact N-O 2.9Å; V1004-I1011 HydrophobicContact CG2-CG2 4.12Å
1005	E	80.9	Confident	86.3	Confident	46 Å²	46	53.6 Å²	53.6	22%	0.215	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	135.7	175.5	-173.9	164.5	-178.8	0	0	109.6	K895 G896 G1007 R1030 L1031	K895-E1005 WeakPolarHBondContact CA-OE1 3.41Å; G896-E1005 PolarHBondContact N-OE1 3.36Å; E1005-G1007 PolarHBondContact O-N 2.87Å; E1005-G1007 VanDerWaalsContact O-N 3.1Å; E1005-R1030 HydrophobicContact CB-CG 3.97Å; E1005-R1030 WeakPolarHBondContact OE2-CA 3.36Å; E1005-L1031 WeakPolarHBondContact OE2-CB 3.34Å; E1005-L1031 PolarHBondContact OE2-N 2.86Å
1006	N	76.2	Confident	85.4	Confident	110 Å²	110	52.5 Å²	52.5	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	8.9	-167.1	-51.1	-46.9	0	0	0	115.3	K895	K895-N1006 WeakPolarHBondContact CE-OD1 3.47Å; K895-N1006 WeakPolarHBondContact CG-OD1 3.32Å
1007	G	78.8	Confident	84.9	Confident	24 Å²	24	46.6 Å²	46.6	25%	0.247	27%	0.271	C	S	.	.	S	Bend	trans	-115.3	169.6	179.1	0	0	0	0	0	113.7	V1004 E1005	V1004-G1007 PolarHBondContact O-N 3.26Å; E1005-G1007 PolarHBondContact O-N 2.87Å; E1005-G1007 VanDerWaalsContact O-N 3.1Å
1008	E	78.3	Confident	83.9	Confident	85 Å²	85	51.3 Å²	51.3	40%	0.397	30%	0.296	S	S	.	.	S	Bend	trans	-104.5	-11.7	175.8	-59	177.5	-156.9	0	0	112	N891 R892 T1121	N891-E1008 WeakPolarHBondContact ND2-CG 3.32Å; N891-E1008 PolarHBondContact ND2-OE2 2.99Å; R892-E1008 IonicContact CZ-OE1 2.69Å; R892-E1008 VanDerWaalsContact CZ-OE1 3.26Å; R892-E1008 IonicContact NH1-OE1 2.81Å; R892-E1008 PolarHBondContact NH1-OE1 2.99Å; R892-E1008 IonicContact NH2-OE1 3.44Å; R892-E1008 PolarHBondContact NH2-OE1 3.39Å; E1008-T1121 PolarHBondContact OE1-OG1 3.22Å
1009	G	83.9	Confident	83.3	Confident	41 Å²	41	56.5 Å²	56.5	42%	0.423	33%	0.327	S	S	.	.			trans	-90.9	178.9	-177.8	0	0	0	0	0	114.3	V1004	V1004-G1009 PolarHBondContact N-O 2.9Å
1010	T	92.4	Very high	82.7	Confident	24 Å²	24	52.9 Å²	52.9	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.7	176.7	65.5	0	0	0	0	111.2	C966 R1001 T1002 K1003	C966-T1010 HydrophobicContact CB-CG2 4.27Å; R1001-T1010 PolarHBondContact NE-OG1 3.38Å; R1001-T1010 PolarHBondContact NH2-O 3.26Å; T1002-T1010 CarbonylContact O-C 3.35Å; T1002-T1010 WeakPolarHBondContact O-CA 3.45Å; T1002-T1010 WeakPolarHBondContact O-CB 3.26Å; K1003-T1010 HydrophobicContact CG-CG2 4.12Å
1011	I	91	Very high	82.2	Confident	58 Å²	58	55.6 Å²	55.6	30%	0.297	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	158.3	168.6	59.3	165.4	0	0	0	109.9	R1001 T1002 V1004	R1001-I1011 CarbonylContact C-O 3.53Å; R1001-I1011 WeakPolarHBondContact CA-O 3.39Å; R1001-I1011 WeakPolarHBondContact CB-O 3.31Å; T1002-I1011 PolarHBondContact N-O 2.94Å; T1002-I1011 PolarHBondContact O-N 3.39Å; T1002-I1011 WeakPolarHBondContact OG1-CG1 3.44Å; V1004-I1011 HydrophobicContact CG2-CG2 4.12Å
1012	P	91.3	Very high	81.8	Confident	52 Å²	52	56 Å²	56	34%	0.338	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	162.2	163.9	-20.9	33.8	0	0	0	112.4	L1000	L1000-P1012 CarbonylContact O-C 3.07Å
1013	V	90.1	Very high	81.5	Confident	10 Å²	10	60.7 Å²	60.7	6%	0.061	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-91.2	134.6	159.9	173.4	0	0	0	0	108.5	L1000 T1002 D1017 M1034 I1212	L1000-V1013 HydrophobicContact CB-CB 4.26Å; L1000-V1013 HydrophobicContact CB-CG2 4.06Å; L1000-V1013 PolarHBondContact O-N 3.3Å; T1002-V1013 HydrophobicContact CG2-CG2 3.78Å; V1013-D1017 WeakPolarHBondContact CA-OD2 3.44Å; V1013-D1017 HydrophobicContact CG1-CB 4.24Å; V1013-D1017 WeakPolarHBondContact CG1-OD2 3.47Å; V1013-M1034 HydrophobicContact CG2-CE 4.32Å; V1013-I1212 HydrophobicContact CG1-CD1 3.95Å; V1013-I1212 HydrophobicContact CG1-CG1 4.08Å; V1013-I1212 HydrophobicContact CG2-CG1 3.98Å
1014	E	81.5	Confident	81.3	Confident	121 Å²	121	60.7 Å²	60.7	57%	0.565	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-99.7	154	177.1	-69.2	176.1	-163.4	0	0	111.1	S1016 D1017	E1014-S1016 PolarHBondContact O-N 3.31Å; E1014-S1016 VanDerWaalsContact O-N 3.15Å; E1014-D1017 PolarHBondContact N-OD2 2.78Å; E1014-D1017 WeakPolarHBondContact O-CB 3.48Å; E1014-D1017 PolarHBondContact O-N 2.66Å
1015	S	69	Low	81.3	Confident	116 Å²	116	58.4 Å²	58.4	81%	0.811	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25	-178.8	-57.5	0	0	0	0	113
1016	S	62.4	Low	81.5	Confident	88 Å²	88	63.1 Å²	63.1	62%	0.615	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.6	177.9	48	0	0	0	0	114.5	E1014 I1018	E1014-S1016 PolarHBondContact O-N 3.31Å; E1014-S1016 VanDerWaalsContact O-N 3.15Å; S1016-I1018 PolarHBondContact O-N 3.14Å
1017	D	68.6	Low	81.9	Confident	22 Å²	22	65.2 Å²	65.2	12%	0.118	37%	0.369	C	S	.	.			trans	-61.3	102.8	-178.3	-97.1	-42.2	0	0	0	111.5	V1013 E1014 V1019 R1032 I1212	V1013-D1017 WeakPolarHBondContact CA-OD2 3.44Å; V1013-D1017 HydrophobicContact CG1-CB 4.24Å; V1013-D1017 WeakPolarHBondContact CG1-OD2 3.47Å; E1014-D1017 PolarHBondContact N-OD2 2.78Å; E1014-D1017 WeakPolarHBondContact O-CB 3.48Å; E1014-D1017 PolarHBondContact O-N 2.66Å; D1017-V1019 PolarHBondContact O-N 2.88Å; D1017-R1032 IonicContact OD1-CZ 3.26Å; D1017-R1032 IonicContact OD1-NE 2.69Å; D1017-R1032 PolarHBondContact OD1-NE 3.25Å; D1017-R1032 IonicContact OD1-NH2 3.72Å; D1017-R1032 PolarHBondContact OD1-NH2 2.97Å; D1017-I1212 HydrophobicContact CB-CD1 3.79Å
1018	I	68.7	Low	82.1	Confident	115 Å²	115	67.3 Å²	67.3	59%	0.59	39%	0.39	S	S	*	.			trans	-54.8	136.4	179.2	-58.2	174.6	0	0	0	110	S1016 P1020	S1016-I1018 PolarHBondContact O-N 3.14Å; I1018-P1020 WeakPolarHBondContact O-CD 3.24Å; I1018-P1020 VanDerWaalsContact O-N 3.16Å
1019	V	76.8	Confident	82.5	Confident	108 Å²	108	66.8 Å²	66.8	66%	0.655	39%	0.388	S	S	*	.			trans	-61	114.2	174.5	179.3	0	0	0	0	108.5	D1017 T1021	D1017-V1019 PolarHBondContact O-N 2.88Å; V1019-T1021 PolarHBondContact O-N 3.44Å
1020	P	81.7	Confident	82.6	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.032	38%	0.383	C	S	.	.			trans	-62.1	126.1	-172.6	-23.9	34.2	0	0	0	111.5	I1018 I1025 R1032 I1212 P1215	I1018-P1020 WeakPolarHBondContact O-CD 3.24Å; I1018-P1020 VanDerWaalsContact O-N 3.16Å; P1020-I1025 HydrophobicContact CB-CD1 3.85Å; P1020-I1025 HydrophobicContact CB-CG1 4.32Å; P1020-R1032 HydrophobicContact CG-CB 4.19Å; P1020-I1212 HydrophobicContact CG-CG2 3.79Å; P1020-P1215 WeakPolarHBondContact O-CG 3.5Å
1021	T	86.3	Confident	82.4	Confident	58 Å²	58	67.9 Å²	67.9	36%	0.356	38%	0.377	S	S	.	.			trans	-92.6	162.1	177	71	0	0	0	0	111.1	V1019 D1023 G1024 I1025	V1019-T1021 PolarHBondContact O-N 3.44Å; T1021-D1023 WeakPolarHBondContact CB-OD1 3.35Å; T1021-D1023 PolarHBondContact OG1-OD1 3.33Å; T1021-G1024 PolarHBondContact OG1-N 3.46Å; T1021-G1024 VanDerWaalsContact OG1-N 3.13Å; T1021-I1025 VanDerWaalsContact O-CD1 3.3Å; T1021-I1025 WeakPolarHBondContact O-CD1 3.37Å; T1021-I1025 VanDerWaalsContact O-CG1 3.27Å; T1021-I1025 WeakPolarHBondContact O-CG1 3.49Å; T1021-I1025 PolarHBondContact O-N 3.21Å
1022	W	86.7	Confident	82.4	Confident	35 Å²	35	67.8 Å²	67.8	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-72.9	-39.9	-176.3	178.8	-92.6	0	0	0	113.1	L899 L901 R1026 P1215 E1217 E1218	L899-W1022 HydrophobicContact CB-CH2 4.06Å; L899-W1022 HydrophobicContact CB-CZ3 4.22Å; L899-W1022 HydrophobicContact CD2-CE3 3.9Å; L899-W1022 HydrophobicContact CD2-CH2 4.04Å; L899-W1022 HydrophobicContact CD2-CZ3 3.37Å; L899-W1022 HydrophobicContact CG-CH2 3.87Å; L899-W1022 HydrophobicContact CG-CZ3 3.55Å; L899-W1022 WeakPolarHBondContact O-CH2 3.29Å; L901-W1022 HydrophobicContact CB-CH2 4.5Å; L901-W1022 HydrophobicContact CD1-CZ2 4.04Å; L901-W1022 HydrophobicContact CD2-CD2 3.63Å; L901-W1022 HydrophobicContact CD2-CE3 3.66Å; L901-W1022 HydrophobicContact CD2-CG 4.42Å; L901-W1022 HydrophobicContact CD2-CH2 3.61Å; L901-W1022 HydrophobicContact CD2-CZ2 3.59Å; L901-W1022 HydrophobicContact CD2-CZ3 3.62Å; L901-W1022 HydrophobicContact CG-CD2 4.37Å; L901-W1022 HydrophobicContact CG-CH2 3.61Å; L901-W1022 HydrophobicContact CG-CZ2 3.4Å; L901-W1022 VanDerWaalsContact CG-CZ2 3.4Å; L901-W1022 HydrophobicContact CG-CZ3 4.15Å; W1022-R1026 VanDerWaalsContact NE1-NE 3.15Å; W1022-R1026 WeakPolarHBondContact O-CG 3.42Å; W1022-R1026 PolarHBondContact O-N 3.02Å; W1022-P1215 HydrophobicContact CB-CB 4.12Å; W1022-P1215 HydrophobicContact CB-CG 4.36Å; W1022-P1215 HydrophobicContact CE3-CB 4.32Å; W1022-P1215 HydrophobicContact CE3-CG 4.31Å; W1022-E1217 HydrophobicContact CB-CG 4.27Å; W1022-E1218 HydrophobicContact CZ3-CB 4.34Å; W1022-E1218 HydrophobicContact CZ3-CG 4.29Å
1023	D	87.2	Confident	82.5	Confident	99 Å²	99	65.8 Å²	65.8	53%	0.529	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-46.1	174.6	53.8	-19.2	0	0	0	111.5	T1021 I1025 R1026 L1027	T1021-D1023 WeakPolarHBondContact CB-OD1 3.35Å; T1021-D1023 PolarHBondContact OG1-OD1 3.33Å; D1023-I1025 PolarHBondContact O-N 2.8Å; D1023-R1026 CarbonylContact O-C 3.5Å; D1023-R1026 WeakPolarHBondContact O-CA 3.43Å; D1023-R1026 WeakPolarHBondContact O-CB 3.49Å; D1023-R1026 PolarHBondContact O-N 3.45Å; D1023-L1027 WeakPolarHBondContact O-CG 3.35Å; D1023-L1027 PolarHBondContact O-N 3.28Å
1024	G	88.3	Confident	82.8	Confident	6 Å²	6	65.7 Å²	65.7	6%	0.062	36%	0.359	C	S	.	.	H	α-helix	trans	-52.7	-51.3	174.5	0	0	0	0	0	112	T1021 R1026 L1027 G1028 E1029	T1021-G1024 PolarHBondContact OG1-N 3.46Å; T1021-G1024 VanDerWaalsContact OG1-N 3.13Å; G1024-R1026 PolarHBondContact O-N 2.89Å; G1024-L1027 CarbonylContact O-C 3Å; G1024-L1027 PolarHBondContact O-N 3.18Å; G1024-G1028 PolarHBondContact O-N 3.05Å; G1024-E1029 VanDerWaalsContact C-CB 3.46Å; G1024-E1029 WeakPolarHBondContact O-CB 3.38Å; G1024-E1029 WeakPolarHBondContact O-CG 3.2Å; G1024-E1029 PolarHBondContact O-N 3.3Å
1025	I	88.3	Confident	83.5	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-35.1	176.8	-69.2	163.1	0	0	0	112.2	L899 P1020 T1021 D1023 G1028 E1029 L1031 P1215	L899-I1025 HydrophobicContact CD2-CD1 4.24Å; L899-I1025 HydrophobicContact CD2-CG2 4.32Å; P1020-I1025 HydrophobicContact CB-CD1 3.85Å; P1020-I1025 HydrophobicContact CB-CG1 4.32Å; T1021-I1025 VanDerWaalsContact O-CD1 3.3Å; T1021-I1025 WeakPolarHBondContact O-CD1 3.37Å; T1021-I1025 VanDerWaalsContact O-CG1 3.27Å; T1021-I1025 WeakPolarHBondContact O-CG1 3.49Å; T1021-I1025 PolarHBondContact O-N 3.21Å; D1023-I1025 PolarHBondContact O-N 2.8Å; I1025-G1028 PolarHBondContact O-N 3.26Å; I1025-E1029 WeakPolarHBondContact CA-O 3.33Å; I1025-L1031 HydrophobicContact CD1-CD1 3.68Å; I1025-L1031 HydrophobicContact CG1-CD1 4.29Å; I1025-L1031 HydrophobicContact CG2-CD1 4.09Å; I1025-P1215 HydrophobicContact CD1-CG 3.79Å
1026	R	84.1	Confident	84.9	Confident	144 Å²	144	54.4 Å²	54.4	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-78.7	-16	176.9	-79.4	-177.7	165.7	-98.7	-11	114.5	W1022 D1023 G1024	W1022-R1026 VanDerWaalsContact NE1-NE 3.15Å; W1022-R1026 WeakPolarHBondContact O-CG 3.42Å; W1022-R1026 PolarHBondContact O-N 3.02Å; D1023-R1026 CarbonylContact O-C 3.5Å; D1023-R1026 WeakPolarHBondContact O-CA 3.43Å; D1023-R1026 WeakPolarHBondContact O-CB 3.49Å; D1023-R1026 PolarHBondContact O-N 3.45Å; G1024-R1026 PolarHBondContact O-N 2.89Å
1027	L	84.8	Confident	86.6	Confident	155 Å²	155	50.2 Å²	50.2	81%	0.812	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.7	173.3	-65.7	171.4	0	0	0	112.1	D1023 G1024	D1023-L1027 WeakPolarHBondContact O-CG 3.35Å; D1023-L1027 PolarHBondContact O-N 3.28Å; G1024-L1027 CarbonylContact O-C 3Å; G1024-L1027 PolarHBondContact O-N 3.18Å
1028	G	83.6	Confident	88	Confident	67 Å²	67	49.1 Å²	49.1	69%	0.691	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.3	6	175.7	0	0	0	0	0	115.5	G1024 I1025 R1030	G1024-G1028 PolarHBondContact O-N 3.05Å; I1025-G1028 PolarHBondContact O-N 3.26Å; G1028-R1030 PolarHBondContact O-N 3.08Å
1029	E	87.1	Confident	89.4	Confident	75 Å²	75	45.1 Å²	45.1	35%	0.35	24%	0.237	S	C	.	.			trans	-63.2	132.6	169.7	-67.9	-171.6	174.2	0	0	111.3	G1024 I1025 L1031	G1024-E1029 VanDerWaalsContact C-CB 3.46Å; G1024-E1029 WeakPolarHBondContact O-CB 3.38Å; G1024-E1029 WeakPolarHBondContact O-CG 3.2Å; G1024-E1029 PolarHBondContact O-N 3.3Å; I1025-E1029 WeakPolarHBondContact CA-O 3.33Å; E1029-L1031 PolarHBondContact O-N 3.11Å
1030	R	85.2	Confident	90.5	Very high	82 Å²	82	40 Å²	40	31%	0.309	21%	0.205	S	C	.	.			trans	-60	131.7	-177.4	176.6	175	152.1	-149.1	-13.6	112.8	K1003 E1005 G1028 R1032	K1003-R1030 PolarHBondContact O-NH2 3.27Å; E1005-R1030 HydrophobicContact CB-CG 3.97Å; E1005-R1030 WeakPolarHBondContact OE2-CA 3.36Å; G1028-R1030 PolarHBondContact O-N 3.08Å; R1030-R1032 VanDerWaalsContact C-N 3.32Å; R1030-R1032 PolarHBondContact O-N 3.45Å
1031	L	88.5	Confident	91.3	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	20%	0.204	C	C	.	.			trans	-73.5	74.6	-178.6	-171.5	62.1	0	0	0	113.1	V894 L899 E1005 I1025 E1029 T1033 K1214	V894-L1031 HydrophobicContact CG2-CD2 3.68Å; V894-L1031 WeakPolarHBondContact O-CD2 3.48Å; L899-L1031 HydrophobicContact CD1-CD1 4.37Å; L899-L1031 HydrophobicContact CD1-CD2 4.32Å; L899-L1031 HydrophobicContact CD2-CD1 3.94Å; E1005-L1031 WeakPolarHBondContact OE2-CB 3.34Å; E1005-L1031 PolarHBondContact OE2-N 2.86Å; I1025-L1031 HydrophobicContact CD1-CD1 3.68Å; I1025-L1031 HydrophobicContact CG1-CD1 4.29Å; I1025-L1031 HydrophobicContact CG2-CD1 4.09Å; E1029-L1031 PolarHBondContact O-N 3.11Å; L1031-T1033 PolarHBondContact O-N 3.11Å; L1031-T1033 VanDerWaalsContact O-N 3.09Å; L1031-T1033 PolarHBondContact O-OG1 3.33Å; L1031-K1214 HydrophobicContact CD1-CD 3.89Å; L1031-K1214 VanDerWaalsContact CG-NZ 3.34Å
1032	R	90.1	Very high	91.9	Very high	55 Å²	55	38.5 Å²	38.5	21%	0.208	19%	0.193	C	C	.	.			trans	-51.2	114.6	175.5	-68	-179	177.2	90.2	-11.2	112	T1002 D1017 P1020 R1030 I1212 K1214	T1002-R1032 HydrophobicContact CG2-CB 4.17Å; D1017-R1032 IonicContact OD1-CZ 3.26Å; D1017-R1032 IonicContact OD1-NE 2.69Å; D1017-R1032 PolarHBondContact OD1-NE 3.25Å; D1017-R1032 IonicContact OD1-NH2 3.72Å; D1017-R1032 PolarHBondContact OD1-NH2 2.97Å; P1020-R1032 HydrophobicContact CG-CB 4.19Å; R1030-R1032 VanDerWaalsContact C-N 3.32Å; R1030-R1032 PolarHBondContact O-N 3.45Å; R1032-I1212 HydrophobicContact CB-CG2 3.73Å; R1032-K1214 PolarHBondContact O-NZ 2.81Å
1033	T	93.6	Very high	92.5	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.3	-179.9	-64	0	0	0	0	109.2	D908 T1002 K1003 L1031 K1039 K1214	D908-T1033 HydrophobicContact CB-CG2 4.4Å; T1002-T1033 CarbonylContact C-O 3.53Å; T1002-T1033 WeakPolarHBondContact CA-O 3.39Å; K1003-T1033 HydrophobicContact CD-CG2 4.33Å; K1003-T1033 PolarHBondContact N-O 3.47Å; L1031-T1033 PolarHBondContact O-N 3.11Å; L1031-T1033 VanDerWaalsContact O-N 3.09Å; L1031-T1033 PolarHBondContact O-OG1 3.33Å; T1033-K1039 VanDerWaalsContact CG2-NZ 3.33Å; T1033-K1214 PolarHBondContact OG1-NZ 2.68Å
1034	M	96.3	Very high	93	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	149.8	-177.5	-57	-53.9	-64.8	0	0	113	L1000 R1001 T1002 V1013 D1038 K1039 W1211 I1212	L1000-M1034 HydrophobicContact CB-CE 3.9Å; L1000-M1034 HydrophobicContact CD1-CE 4.01Å; L1000-M1034 HydrophobicContact CD2-CE 4.23Å; L1000-M1034 HydrophobicContact CG-CE 4.29Å; R1001-M1034 CarbonylContact O-C 3.53Å; R1001-M1034 WeakPolarHBondContact O-CA 3.44Å; T1002-M1034 HydrophobicContact CG2-SD 3.91Å; V1013-M1034 HydrophobicContact CG2-CE 4.32Å; M1034-D1038 HydrophobicContact CE-CB 4.36Å; M1034-K1039 VanDerWaalsContact O-CE 3.32Å; M1034-K1039 WeakPolarHBondContact O-CE 3.4Å; M1034-K1039 PolarHBondContact O-NZ 3.4Å; M1034-W1211 HydrophobicContact CB-CH2 4.32Å; M1034-W1211 HydrophobicContact CB-CZ2 4.07Å; M1034-W1211 HydrophobicContact CE-CD2 4.38Å; M1034-W1211 HydrophobicContact CE-CE3 4.31Å; M1034-W1211 HydrophobicContact CG-CD2 4.19Å; M1034-W1211 HydrophobicContact CG-CH2 4.28Å; M1034-W1211 HydrophobicContact CG-CZ2 3.71Å; M1034-I1212 HydrophobicContact SD-CB 3.69Å; M1034-I1212 HydrophobicContact SD-CG1 4.13Å; M1034-I1212 PolarHBondContact SD-N 3.44Å
1035	S	97.3	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.			trans	-63	167.5	178.1	83.1	0	0	0	0	112.8	C966 R1001 D1038 K1039	C966-S1035 VanDerWaalsContact O-CB 3.28Å; C966-S1035 WeakPolarHBondContact O-CB 3.27Å; R1001-S1035 WeakPolarHBondContact O-CB 3.45Å; R1001-S1035 PolarHBondContact O-N 3.46Å; S1035-D1038 WeakPolarHBondContact CB-OD2 3.43Å; S1035-D1038 PolarHBondContact OG-N 2.92Å; S1035-D1038 PolarHBondContact OG-OD2 2.69Å; S1035-K1039 WeakPolarHBondContact O-CD 3.47Å; S1035-K1039 VanDerWaalsContact O-CG 3.27Å; S1035-K1039 WeakPolarHBondContact O-CG 3.34Å; S1035-K1039 PolarHBondContact O-N 3.24Å
1036	C	97.9	Very high	94	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-74.3	-36.3	175.7	-67.8	0	0	0	0	111.9	E912 I913 P965 C966 K1003 D1038 K1039 I1040	E912-C1036 VanDerWaalsContact CD-SG 3.51Å; E912-C1036 HydrophobicContact CG-CB 3.89Å; E912-C1036 WeakPolarHBondContact OE1-CB 3.45Å; E912-C1036 PolarHBondContact OE1-SG 3.23Å; I913-C1036 HydrophobicContact CD1-CB 4.47Å; P965-C1036 HydrophobicContact CB-CB 3.88Å; C966-C1036 WeakPolarHBondContact O-CA 3.18Å; C966-C1036 PolarHBondContact O-N 2.71Å; K1003-C1036 PolarHBondContact NZ-SG 3.48Å; C1036-D1038 VanDerWaalsContact C-N 3.35Å; C1036-D1038 PolarHBondContact O-N 3.1Å; C1036-K1039 PolarHBondContact O-N 3.03Å; C1036-K1039 VanDerWaalsContact O-N 3.16Å; C1036-I1040 WeakPolarHBondContact O-CG1 3.48Å; C1036-I1040 PolarHBondContact O-N 2.86Å
1037	S	98	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-46.4	174.4	-35.8	0	0	0	0	111.5	P965 C966 G967 D968 G969 K1039 I1040 L1041	P965-S1037 PolarHBondContact O-OG 3.07Å; C966-S1037 PolarHBondContact O-N 3.36Å; C966-S1037 PolarHBondContact O-OG 2.89Å; G967-S1037 VanDerWaalsContact CA-OG 3.26Å; G967-S1037 WeakPolarHBondContact CA-OG 3.32Å; D968-S1037 PolarHBondContact N-OG 3.24Å; G969-S1037 PolarHBondContact N-OG 3.26Å; S1037-K1039 VanDerWaalsContact C-N 3.27Å; S1037-K1039 PolarHBondContact O-N 3.17Å; S1037-I1040 PolarHBondContact O-N 3.39Å; S1037-L1041 PolarHBondContact O-N 3.19Å
1038	D	98.3	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-32.5	177.7	-55.2	-39.4	0	0	0	112.2	L1000 R1001 M1034 S1035 C1036 R1042 R1083 W1211	L1000-D1038 HydrophobicContact CD2-CB 4.03Å; L1000-D1038 WeakPolarHBondContact CD2-OD1 3.39Å; R1001-D1038 PolarHBondContact N-OD2 2.96Å; R1001-D1038 VanDerWaalsContact O-OD2 3.09Å; M1034-D1038 HydrophobicContact CE-CB 4.36Å; S1035-D1038 WeakPolarHBondContact CB-OD2 3.43Å; S1035-D1038 PolarHBondContact OG-N 2.92Å; S1035-D1038 PolarHBondContact OG-OD2 2.69Å; C1036-D1038 VanDerWaalsContact C-N 3.35Å; C1036-D1038 PolarHBondContact O-N 3.1Å; D1038-R1042 WeakPolarHBondContact O-CB 3.38Å; D1038-R1042 PolarHBondContact O-N 3.14Å; D1038-R1083 IonicContact OD1-CZ 3.84Å; D1038-R1083 VanDerWaalsContact OD1-CZ 3.28Å; D1038-R1083 IonicContact OD1-NH1 2.69Å; D1038-R1083 PolarHBondContact OD1-NH1 2.96Å; D1038-R1083 IonicContact OD1-NH2 3.67Å; D1038-R1083 PolarHBondContact OD1-NH2 3.31Å; D1038-W1211 HydrophobicContact CB-CH2 4.19Å; D1038-W1211 HydrophobicContact CB-CZ3 3.93Å; D1038-W1211 WeakPolarHBondContact O-CH2 3.42Å; D1038-W1211 VanDerWaalsContact O-CZ3 3.32Å; D1038-W1211 WeakPolarHBondContact O-CZ3 3.2Å
1039	K	98.6	Very high	96	Very high	31 Å²	31	15 Å²	15	14%	0.135	6%	0.063	C	C	.	.	H	α-helix	trans	-71.7	-41.1	175.3	-76.5	167.5	177.8	152.6	0	112.1	D908 I913 T1033 M1034 S1035 C1036 S1037 R1042 W1043 W1211	D908-K1039 IonicContact OD2-NZ 3.87Å; D908-K1039 PolarHBondContact OD2-NZ 3.11Å; I913-K1039 HydrophobicContact CD1-CB 4.1Å; I913-K1039 HydrophobicContact CD1-CD 3.58Å; I913-K1039 HydrophobicContact CD1-CG 4.48Å; I913-K1039 HydrophobicContact CG1-CD 4.44Å; T1033-K1039 VanDerWaalsContact CG2-NZ 3.33Å; M1034-K1039 VanDerWaalsContact O-CE 3.32Å; M1034-K1039 WeakPolarHBondContact O-CE 3.4Å; M1034-K1039 PolarHBondContact O-NZ 3.4Å; S1035-K1039 WeakPolarHBondContact O-CD 3.47Å; S1035-K1039 VanDerWaalsContact O-CG 3.27Å; S1035-K1039 WeakPolarHBondContact O-CG 3.34Å; S1035-K1039 PolarHBondContact O-N 3.24Å; C1036-K1039 PolarHBondContact O-N 3.03Å; C1036-K1039 VanDerWaalsContact O-N 3.16Å; S1037-K1039 VanDerWaalsContact C-N 3.27Å; S1037-K1039 PolarHBondContact O-N 3.17Å; K1039-R1042 WeakPolarHBondContact O-CB 3.49Å; K1039-R1042 PolarHBondContact O-N 3.4Å; K1039-W1043 HydrophobicContact CB-CZ2 3.87Å; K1039-W1043 VanDerWaalsContact O-CD2 3.3Å; K1039-W1043 VanDerWaalsContact O-CE2 3.28Å; K1039-W1043 PolarHBondContact O-N 2.9Å; K1039-W1043 PolarHBondContact O-NE1 3.48Å; K1039-W1211 HydrophobicContact CG-CH2 4.32Å
1040	I	98.7	Very high	96.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.8	-43.1	175.6	-62.7	163.3	0	0	0	110	L959 I961 P965 C1036 S1037 R1042 W1043 N1044 I1080	L959-I1040 HydrophobicContact CD2-CD1 4.38Å; I961-I1040 HydrophobicContact CD1-CD1 3.91Å; P965-I1040 HydrophobicContact CB-CD1 3.58Å; P965-I1040 HydrophobicContact CG-CD1 3.78Å; C1036-I1040 WeakPolarHBondContact O-CG1 3.48Å; C1036-I1040 PolarHBondContact O-N 2.86Å; S1037-I1040 PolarHBondContact O-N 3.39Å; I1040-R1042 VanDerWaalsContact C-N 3.3Å; I1040-R1042 PolarHBondContact O-N 2.95Å; I1040-W1043 HydrophobicContact CB-CE3 4.35Å; I1040-W1043 HydrophobicContact CG1-CE3 3.92Å; I1040-W1043 HydrophobicContact CG1-CH2 4.27Å; I1040-W1043 HydrophobicContact CG1-CZ3 3.69Å; I1040-W1043 CarbonylContact O-C 3.56Å; I1040-W1043 WeakPolarHBondContact O-CA 3.2Å; I1040-W1043 WeakPolarHBondContact O-CB 3.35Å; I1040-W1043 PolarHBondContact O-N 3.46Å; I1040-N1044 PolarHBondContact O-N 3.35Å; I1040-I1080 HydrophobicContact CB-CB 4.43Å; I1040-I1080 HydrophobicContact CB-CG2 4.12Å; I1040-I1080 HydrophobicContact CG2-CB 3.85Å; I1040-I1080 HydrophobicContact CG2-CG2 3.86Å
1041	L	98.7	Very high	97.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-53.2	-47.8	170.1	174	65.4	0	0	0	111.9	S1037 W1043 N1044 V1045 I1080 R1083 V1084 F1199 L1203	S1037-L1041 PolarHBondContact O-N 3.19Å; L1041-W1043 PolarHBondContact O-N 2.93Å; L1041-N1044 PolarHBondContact O-N 3.17Å; L1041-N1044 VanDerWaalsContact O-N 3.11Å; L1041-V1045 PolarHBondContact O-N 3.11Å; L1041-I1080 VanDerWaalsContact CA-O 3.3Å; L1041-I1080 WeakPolarHBondContact CA-O 3.33Å; L1041-R1083 HydrophobicContact CD2-CG 4.15Å; L1041-V1084 HydrophobicContact CD1-CG1 4.04Å; L1041-V1084 HydrophobicContact CD1-CG2 4.17Å; L1041-V1084 HydrophobicContact CD2-CG1 3.94Å; L1041-V1084 HydrophobicContact CG-CG1 4.47Å; L1041-F1199 HydrophobicContact CD2-CE2 4.26Å; L1041-F1199 HydrophobicContact CD2-CZ 4.33Å; L1041-F1199 HydrophobicContact CG-CE2 3.97Å; L1041-F1199 HydrophobicContact CG-CZ 4.15Å; L1041-L1203 HydrophobicContact CD2-CD2 4.11Å
1042	R	98.6	Very high	97.5	Very high	31 Å²	31	8.3 Å²	8.3	12%	0.117	4%	0.039	C	C	.	.	H	α-helix	trans	-59.8	-30.2	176.2	-179.2	-177.6	173.8	73	19.4	113.1	D1038 K1039 I1040 L1046 Y1192 F1199 W1211	D1038-R1042 WeakPolarHBondContact O-CB 3.38Å; D1038-R1042 PolarHBondContact O-N 3.14Å; K1039-R1042 WeakPolarHBondContact O-CB 3.49Å; K1039-R1042 PolarHBondContact O-N 3.4Å; I1040-R1042 VanDerWaalsContact C-N 3.3Å; I1040-R1042 PolarHBondContact O-N 2.95Å; R1042-L1046 HydrophobicContact CG-CD1 3.88Å; R1042-L1046 WeakPolarHBondContact O-CB 3.26Å; R1042-L1046 PolarHBondContact O-N 3.38Å; R1042-Y1192 PolarHBondContact NH2-OH 3.37Å; R1042-F1199 HydrophobicContact CB-CE1 3.82Å; R1042-F1199 HydrophobicContact CB-CZ 3.76Å; R1042-F1199 HydrophobicContact CG-CD1 4.48Å; R1042-F1199 HydrophobicContact CG-CE1 3.86Å; R1042-F1199 HydrophobicContact CG-CZ 4.26Å; R1042-W1211 HydrophobicContact CB-CH2 3.72Å; R1042-W1211 HydrophobicContact CB-CZ3 3.99Å; R1042-W1211 VanDerWaalsContact CD-CZ2 3.49Å; R1042-W1211 HydrophobicContact CG-CH2 4.18Å
1043	W	98.6	Very high	97.9	Very high	9 Å²	9	5.8 Å²	5.8	3%	0.034	3%	0.029	C	C	.	.	H	α-helix	trans	-80.5	-32.7	175.5	-49	-22.6	0	0	0	111.9	E912 I913 R916 K1039 I1040 L1041 V1045 G1047 L1048 Y1061	E912-W1043 WeakPolarHBondContact O-CH2 3.2Å; I913-W1043 HydrophobicContact CD1-CH2 3.72Å; I913-W1043 HydrophobicContact CD1-CZ2 3.72Å; R916-W1043 HydrophobicContact CB-CH2 3.98Å; R916-W1043 HydrophobicContact CB-CZ2 4.37Å; R916-W1043 HydrophobicContact CB-CZ3 4.18Å; R916-W1043 VanDerWaalsContact CD-CZ2 3.41Å; R916-W1043 HydrophobicContact CG-CH2 4.48Å; R916-W1043 HydrophobicContact CG-CZ2 4.49Å; K1039-W1043 HydrophobicContact CB-CZ2 3.87Å; K1039-W1043 VanDerWaalsContact O-CD2 3.3Å; K1039-W1043 VanDerWaalsContact O-CE2 3.28Å; K1039-W1043 PolarHBondContact O-N 2.9Å; K1039-W1043 PolarHBondContact O-NE1 3.48Å; I1040-W1043 HydrophobicContact CB-CE3 4.35Å; I1040-W1043 HydrophobicContact CG1-CE3 3.92Å; I1040-W1043 HydrophobicContact CG1-CH2 4.27Å; I1040-W1043 HydrophobicContact CG1-CZ3 3.69Å; I1040-W1043 CarbonylContact O-C 3.56Å; I1040-W1043 WeakPolarHBondContact O-CA 3.2Å; I1040-W1043 WeakPolarHBondContact O-CB 3.35Å; I1040-W1043 PolarHBondContact O-N 3.46Å; L1041-W1043 PolarHBondContact O-N 2.93Å; W1043-V1045 PolarHBondContact O-N 3.03Å; W1043-G1047 CarbonylContact O-C 3.56Å; W1043-G1047 WeakPolarHBondContact O-CA 3.25Å; W1043-G1047 PolarHBondContact O-N 2.88Å; W1043-L1048 HydrophobicContact CB-CD2 4.01Å; W1043-L1048 HydrophobicContact CD2-CD2 4.17Å; W1043-L1048 HydrophobicContact CE3-CD2 3.81Å; W1043-L1048 HydrophobicContact CG-CD2 4.25Å; W1043-Y1061 WeakPolarHBondContact O-CD1 3.42Å; W1043-Y1061 WeakPolarHBondContact O-CE1 3.43Å
1044	N	98.5	Very high	98.1	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-67.9	-21.9	172.3	-80.4	-20.4	0	0	0	112.9	I1040 L1041 Y1061 I1080 N1102	I1040-N1044 PolarHBondContact O-N 3.35Å; L1041-N1044 PolarHBondContact O-N 3.17Å; L1041-N1044 VanDerWaalsContact O-N 3.11Å; N1044-Y1061 WeakPolarHBondContact O-CE1 3.27Å; N1044-I1080 PolarHBondContact ND2-O 2.91Å; N1044-N1102 HydrophobicContact CB-CB 4.07Å; N1044-N1102 WeakPolarHBondContact CB-O 3.47Å; N1044-N1102 VanDerWaalsContact O-CB 3.23Å; N1044-N1102 WeakPolarHBondContact O-CB 3.35Å; N1044-N1102 PolarHBondContact O-N 3.16Å; N1044-N1102 PolarHBondContact OD1-ND2 3.13Å
1045	V	98.4	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-93.5	-47.9	170.2	-178.3	0	0	0	0	112.6	L1041 W1043 Y1061 V1084 F1091 L1095 I1100 F1199	L1041-V1045 PolarHBondContact O-N 3.11Å; W1043-V1045 PolarHBondContact O-N 3.03Å; V1045-Y1061 PolarHBondContact O-OH 3.16Å; V1045-V1084 HydrophobicContact CG2-CG2 4.42Å; V1045-F1091 HydrophobicContact CG1-CE1 4.42Å; V1045-F1091 HydrophobicContact CG1-CZ 4.46Å; V1045-F1091 HydrophobicContact CG2-CE1 4.27Å; V1045-L1095 HydrophobicContact CG1-CD1 3.97Å; V1045-L1095 HydrophobicContact CG1-CD2 3.82Å; V1045-I1100 WeakPolarHBondContact CA-O 3.33Å; V1045-F1199 HydrophobicContact CB-CD2 3.8Å; V1045-F1199 HydrophobicContact CB-CE2 4.1Å; V1045-F1199 HydrophobicContact CG1-CB 4.34Å; V1045-F1199 HydrophobicContact CG1-CD2 3.87Å; V1045-F1199 HydrophobicContact CG1-CG 4.41Å; V1045-F1199 HydrophobicContact CG2-CD2 3.75Å; V1045-F1199 HydrophobicContact CG2-CE2 3.8Å
1046	L	98.4	Very high	98.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-103.5	2.4	-168.2	-52.1	173.6	0	0	0	114.8	R1042 Q1049 F1099 Y1192 A1195 K1196 F1199	R1042-L1046 HydrophobicContact CG-CD1 3.88Å; R1042-L1046 WeakPolarHBondContact O-CB 3.26Å; R1042-L1046 PolarHBondContact O-N 3.38Å; L1046-Q1049 PolarHBondContact O-NE2 3.29Å; L1046-Q1049 VanDerWaalsContact O-NE2 3.15Å; L1046-F1099 HydrophobicContact CD2-CD1 4.46Å; L1046-Y1192 HydrophobicContact CB-CD2 4.39Å; L1046-Y1192 HydrophobicContact CB-CE2 3.62Å; L1046-Y1192 WeakPolarHBondContact O-CE2 3.36Å; L1046-A1195 VanDerWaalsContact CD2-C 3.46Å; L1046-A1195 HydrophobicContact CD2-CB 3.64Å; L1046-K1196 HydrophobicContact CD1-CB 3.95Å; L1046-K1196 HydrophobicContact CD1-CG 4.46Å; L1046-F1199 HydrophobicContact CD1-CD1 4.33Å; L1046-F1199 HydrophobicContact CD2-CB 4.44Å
1047	G	98.3	Very high	98	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.			trans	76.8	155.9	-175.9	0	0	0	0	0	114.8	W1043 Q1049 I1060	W1043-G1047 CarbonylContact O-C 3.56Å; W1043-G1047 WeakPolarHBondContact O-CA 3.25Å; W1043-G1047 PolarHBondContact O-N 2.88Å; G1047-Q1049 VanDerWaalsContact CA-OE1 3.24Å; G1047-I1060 CarbonylContact C-O 2.97Å; G1047-I1060 VanDerWaalsContact CA-O 3.31Å; G1047-I1060 WeakPolarHBondContact CA-O 3.48Å
1048	L	98.4	Very high	98	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.041	C	C	.	.	S	Bend	trans	-64.6	-35.7	178.1	-67.3	168.7	0	0	0	112.3	R916 F919 W1043 G1050 I1060 L1062	R916-L1048 HydrophobicContact CG-CD2 4.31Å; R916-L1048 PolarHBondContact NE-O 3.04Å; R916-L1048 PolarHBondContact NH2-O 2.95Å; F919-L1048 HydrophobicContact CD1-CB 4.19Å; F919-L1048 HydrophobicContact CD1-CD1 4.16Å; F919-L1048 HydrophobicContact CE1-CB 3.88Å; F919-L1048 HydrophobicContact CE1-CD1 3.63Å; F919-L1048 HydrophobicContact CE1-CG 4.4Å; F919-L1048 HydrophobicContact CZ-CD1 4.36Å; W1043-L1048 HydrophobicContact CB-CD2 4.01Å; W1043-L1048 HydrophobicContact CD2-CD2 4.17Å; W1043-L1048 HydrophobicContact CE3-CD2 3.81Å; W1043-L1048 HydrophobicContact CG-CD2 4.25Å; L1048-G1050 PolarHBondContact O-N 2.9Å; L1048-I1060 WeakPolarHBondContact CB-O 3.25Å; L1048-I1060 HydrophobicContact CD1-CG2 4.38Å; L1048-I1060 WeakPolarHBondContact CG-O 2.85Å; L1048-I1060 PolarHBondContact N-O 3.33Å; L1048-L1062 HydrophobicContact CD1-CD2 3.8Å; L1048-L1062 HydrophobicContact CD1-CG 4Å; L1048-L1062 HydrophobicContact CD2-CD1 4.46Å; L1048-L1062 HydrophobicContact CD2-CG 4.29Å; L1048-L1062 HydrophobicContact CG-CG 4.5Å
1049	Q	98.1	Very high	97.9	Very high	5 Å²	5	9.4 Å²	9.4	2%	0.023	5%	0.047	C	C	.	.	S	Bend	trans	-64	-38.2	-173.1	82.6	-58.2	-27.1	0	0	112.9	L923 L1046 G1047 L1053 T1054	L923-Q1049 HydrophobicContact CD1-CB 4.22Å; L1046-Q1049 PolarHBondContact O-NE2 3.29Å; L1046-Q1049 VanDerWaalsContact O-NE2 3.15Å; G1047-Q1049 VanDerWaalsContact CA-OE1 3.24Å; Q1049-L1053 HydrophobicContact CB-CB 3.69Å; Q1049-L1053 HydrophobicContact CB-CD1 4.03Å; Q1049-L1053 HydrophobicContact CG-CB 3.93Å; Q1049-T1054 PolarHBondContact NE2-OG1 3.37Å
1050	G	97.6	Very high	97.9	Very high	7 Å²	7	8.3 Å²	8.3	7%	0.072	4%	0.042	C	C	.	.	H	α-helix	trans	70.5	173.8	-178.3	0	0	0	0	0	115.1	L1048 L1052 L1053 T1054	L1048-G1050 PolarHBondContact O-N 2.9Å; G1050-L1052 PolarHBondContact O-N 3.17Å; G1050-L1052 VanDerWaalsContact O-N 3.17Å; G1050-L1053 PolarHBondContact O-N 3.11Å; G1050-L1053 VanDerWaalsContact O-N 3.15Å; G1050-T1054 PolarHBondContact O-N 3.47Å; G1050-T1054 VanDerWaalsContact O-N 3.13Å; G1050-T1054 PolarHBondContact O-OG1 2.8Å
1051	A	97.9	Very high	97.9	Very high	7 Å²	7	10 Å²	10	6%	0.058	5%	0.049	C	C	.	.	H	α-helix	trans	-42.9	-53.2	-172	0	0	0	0	0	115.5	L1053 T1054 K1186 A1189 Y1192	A1051-L1053 PolarHBondContact O-N 2.99Å; A1051-T1054 WeakPolarHBondContact O-CB 3.41Å; A1051-T1054 PolarHBondContact O-N 3.13Å; A1051-T1054 VanDerWaalsContact O-N 3.09Å; A1051-K1186 HydrophobicContact CB-CB 4.1Å; A1051-K1186 HydrophobicContact CB-CD 4.5Å; A1051-K1186 HydrophobicContact CB-CG 3.94Å; A1051-A1189 HydrophobicContact CB-CB 4.23Å; A1051-A1189 WeakPolarHBondContact O-CB 3.44Å; A1051-Y1192 HydrophobicContact CB-CD1 3.5Å; A1051-Y1192 VanDerWaalsContact CB-CD1 3.5Å; A1051-Y1192 HydrophobicContact CB-CE1 3.83Å; A1051-Y1192 HydrophobicContact CB-CG 3.99Å
1052	L	98.3	Very high	97.9	Very high	10 Å²	10	10.1 Å²	10.1	5%	0.052	5%	0.049	C	C	.	.	H	α-helix	trans	-63.7	-37.3	-174.1	-68.6	-178.2	0	0	0	113.3	G1050 F1162 F1165 Y1182 A1185 K1186	G1050-L1052 PolarHBondContact O-N 3.17Å; G1050-L1052 VanDerWaalsContact O-N 3.17Å; L1052-F1162 HydrophobicContact CD1-CD2 4.07Å; L1052-F1165 HydrophobicContact CB-CD2 3.78Å; L1052-F1165 HydrophobicContact CB-CE2 4.08Å; L1052-F1165 HydrophobicContact CB-CG 4.32Å; L1052-F1165 HydrophobicContact CD1-CB 4.29Å; L1052-F1165 HydrophobicContact CD1-CG 4.3Å; L1052-F1165 HydrophobicContact CD2-CD1 4.25Å; L1052-F1165 HydrophobicContact CD2-CD2 4.18Å; L1052-F1165 HydrophobicContact CD2-CE1 4.12Å; L1052-F1165 HydrophobicContact CD2-CE2 4.05Å; L1052-F1165 HydrophobicContact CD2-CG 4.26Å; L1052-F1165 HydrophobicContact CD2-CZ 3.99Å; L1052-F1165 HydrophobicContact CG-CD2 4.39Å; L1052-F1165 WeakPolarHBondContact O-CD2 3.48Å; L1052-F1165 WeakPolarHBondContact O-CE2 3.36Å; L1052-Y1182 HydrophobicContact CD1-CD2 4.12Å; L1052-Y1182 HydrophobicContact CD1-CE2 3.75Å; L1052-A1185 HydrophobicContact CD2-CB 3.71Å; L1052-K1186 HydrophobicContact CD2-CG 3.8Å; L1052-K1186 HydrophobicContact CG-CG 3.99Å
1053	L	98.3	Very high	97.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-80.8	-18.3	176.4	-78.8	176.5	0	0	0	112.6	I920 L923 Y924 L927 Q1049 G1050 A1051 H1055 F1056 L1057 L1168	I920-L1053 HydrophobicContact CG2-CD1 4.09Å; L923-L1053 HydrophobicContact CB-CD1 3.91Å; L923-L1053 HydrophobicContact CD1-CD1 3.89Å; Y924-L1053 HydrophobicContact CD1-CD2 3.89Å; Y924-L1053 HydrophobicContact CD2-CD2 4.45Å; Y924-L1053 HydrophobicContact CE1-CD2 3.41Å; Y924-L1053 VanDerWaalsContact CE1-CD2 3.41Å; Y924-L1053 HydrophobicContact CE1-CG 4.23Å; Y924-L1053 HydrophobicContact CE2-CD1 4.26Å; Y924-L1053 HydrophobicContact CE2-CD2 4.04Å; Y924-L1053 HydrophobicContact CE2-CG 4.08Å; Y924-L1053 HydrophobicContact CG-CD2 4.36Å; Y924-L1053 VanDerWaalsContact CZ-CD2 3.47Å; L927-L1053 HydrophobicContact CD1-CD2 3.57Å; Q1049-L1053 HydrophobicContact CB-CB 3.69Å; Q1049-L1053 HydrophobicContact CB-CD1 4.03Å; Q1049-L1053 HydrophobicContact CG-CB 3.93Å; G1050-L1053 PolarHBondContact O-N 3.11Å; G1050-L1053 VanDerWaalsContact O-N 3.15Å; A1051-L1053 PolarHBondContact O-N 2.99Å; L1053-H1055 PolarHBondContact O-N 2.92Å; L1053-H1055 VanDerWaalsContact O-N 3.16Å; L1053-F1056 PolarHBondContact O-N 3.11Å; L1053-L1057 HydrophobicContact CB-CD1 4.34Å; L1053-L1057 HydrophobicContact CD2-CD1 4.43Å; L1053-L1057 WeakPolarHBondContact O-CB 3.4Å; L1053-L1057 PolarHBondContact O-N 3.36Å; L1053-L1168 HydrophobicContact CD2-CD2 4.44Å
1054	T	97.1	Very high	97.8	Very high	3 Å²	3	15 Å²	15	2%	0.018	7%	0.072	C	C	.	.	H	α-helix	trans	-68.9	-11.6	178.6	-47	0	0	0	0	112.8	Q1049 G1050 A1051 F1056 L1057 F1099	Q1049-T1054 PolarHBondContact NE2-OG1 3.37Å; G1050-T1054 PolarHBondContact O-N 3.47Å; G1050-T1054 VanDerWaalsContact O-N 3.13Å; G1050-T1054 PolarHBondContact O-OG1 2.8Å; A1051-T1054 WeakPolarHBondContact O-CB 3.41Å; A1051-T1054 PolarHBondContact O-N 3.13Å; A1051-T1054 VanDerWaalsContact O-N 3.09Å; T1054-F1056 PolarHBondContact O-N 3.4Å; T1054-L1057 WeakPolarHBondContact CA-O 3.48Å; T1054-F1099 HydrophobicContact CG2-CZ 4.22Å
1055	H	96.6	Very high	97.7	Very high	21 Å²	21	15 Å²	15	10%	0.097	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17	166.5	-75	-68.5	0	0	0	114.5	L1053 F1165 R1174 L1177 A1185 A1188 A1189	L1053-H1055 PolarHBondContact O-N 2.92Å; L1053-H1055 VanDerWaalsContact O-N 3.16Å; H1055-F1165 AromaticContact CD2-CE2 3.91Å; H1055-R1174 PolarHBondContact O-NH1 3.12Å; H1055-L1177 HydrophobicContact CB-CD1 3.85Å; H1055-A1185 PolarHBondContact NE2-O 2.93Å; H1055-A1188 VanDerWaalsContact CE1-C 3.49Å; H1055-A1189 PolarHBondContact CE1-N 3.21Å
1056	F	96.4	Very high	97.6	Very high	22 Å²	22	15 Å²	15	10%	0.096	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-23.4	-174.6	-59.1	-80.5	0	0	0	113.2	L927 L949 L1053 T1054 F1165 L1168 R1172 R1174 L1177	L927-F1056 HydrophobicContact CD1-CB 4.45Å; L949-F1056 PolarHBondContact N-O 3.37Å; L1053-F1056 PolarHBondContact O-N 3.11Å; T1054-F1056 PolarHBondContact O-N 3.4Å; F1056-F1165 HydrophobicContact CE2-CD2 4.32Å; F1056-F1165 AromaticContact CE2-CE2 3.98Å; F1056-F1165 HydrophobicContact CE2-CE2 3.98Å; F1056-L1168 HydrophobicContact CD1-CD2 4.43Å; F1056-L1168 HydrophobicContact CD2-CD2 3.64Å; F1056-L1168 HydrophobicContact CD2-CG 4.46Å; F1056-L1168 HydrophobicContact CE1-CG 4.43Å; F1056-L1168 HydrophobicContact CE2-CD2 3.75Å; F1056-L1168 HydrophobicContact CE2-CG 4.18Å; F1056-L1168 HydrophobicContact CG-CD2 4Å; F1056-L1168 HydrophobicContact CZ-CD2 4.2Å; F1056-L1168 HydrophobicContact CZ-CG 4.16Å; F1056-R1172 HydrophobicContact CD1-CG 4.45Å; F1056-R1172 HydrophobicContact CE1-CB 3.84Å; F1056-R1172 HydrophobicContact CE1-CG 4.09Å; F1056-R1174 HydrophobicContact CE1-CG 3.85Å; F1056-R1174 HydrophobicContact CZ-CB 4.47Å; F1056-R1174 HydrophobicContact CZ-CG 4.08Å; F1056-L1177 HydrophobicContact CE2-CD1 4.26Å; F1056-L1177 HydrophobicContact CZ-CD1 4.1Å
1057	L	96.9	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-125	143	-172.6	-71.8	172	0	0	0	112.3	L927 F940 L949 L1053 T1054 I1060	L927-L1057 HydrophobicContact CD1-CD1 3.81Å; L927-L1057 HydrophobicContact CD1-CG 4.11Å; L927-L1057 HydrophobicContact CD2-CD2 4.1Å; L927-L1057 HydrophobicContact CD2-CG 4.29Å; L927-L1057 HydrophobicContact CG-CD1 4.43Å; F940-L1057 HydrophobicContact CD1-CD2 3.6Å; F940-L1057 HydrophobicContact CE1-CD1 4.09Å; F940-L1057 HydrophobicContact CE1-CD2 3.32Å; F940-L1057 HydrophobicContact CE1-CG 4.36Å; F940-L1057 HydrophobicContact CG-CD2 4.49Å; F940-L1057 HydrophobicContact CZ-CD1 4.28Å; F940-L1057 HydrophobicContact CZ-CD2 4.03Å; L949-L1057 HydrophobicContact CB-CD2 3.98Å; L949-L1057 CarbonylContact O-C 3.58Å; L949-L1057 VanDerWaalsContact O-CA 3.31Å; L949-L1057 WeakPolarHBondContact O-CA 3.49Å; L1053-L1057 HydrophobicContact CB-CD1 4.34Å; L1053-L1057 HydrophobicContact CD2-CD1 4.43Å; L1053-L1057 WeakPolarHBondContact O-CB 3.4Å; L1053-L1057 PolarHBondContact O-N 3.36Å; T1054-L1057 WeakPolarHBondContact CA-O 3.48Å; L1057-I1060 HydrophobicContact CD1-CD1 3.9Å
1058	Q	96.6	Very high	96.5	Very high	30 Å²	30	15.8 Å²	15.8	14%	0.14	8%	0.08	C	C	.	.			trans	-63.1	162.2	157.3	-61.6	-64.7	13.4	0	0	110.9	A943 L949 Q950 I1060 P1098	A943-Q1058 HydrophobicContact CB-CG 3.58Å; L949-Q1058 PolarHBondContact O-N 3.27Å; Q950-Q1058 HydrophobicContact CB-CB 4.03Å; Q950-Q1058 HydrophobicContact CB-CG 3.93Å; Q1058-I1060 PolarHBondContact O-N 3.38Å; Q1058-P1098 VanDerWaalsContact OE1-CB 3.31Å; Q1058-P1098 VanDerWaalsContact OE1-CG 3.25Å
1059	P	97.4	Very high	95.6	Very high	19 Å²	19	17.2 Å²	17.2	12%	0.123	9%	0.085	C	C	.	.			trans	-58.5	135.6	178.3	-24.6	36.5	0	0	0	112.4	Y1061 P1098 F1099	P1059-Y1061 HydrophobicContact CB-CD2 4.39Å; P1059-Y1061 HydrophobicContact CB-CE2 3.56Å; P1059-P1098 VanDerWaalsContact CD-CG 3.49Å; P1059-P1098 HydrophobicContact CG-CB 4.12Å; P1059-P1098 HydrophobicContact CG-CG 3.77Å; P1059-F1099 HydrophobicContact CB-CD1 4.16Å; P1059-F1099 HydrophobicContact CB-CE1 4.23Å; P1059-F1099 HydrophobicContact CG-CD1 3.56Å; P1059-F1099 HydrophobicContact CG-CE1 3.53Å; P1059-F1099 HydrophobicContact CG-CG 4.2Å; P1059-F1099 HydrophobicContact CG-CZ 4.12Å
1060	I	98.4	Very high	94.6	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.041	9%	0.093	C	C	.	.			trans	-111.5	124.5	179.1	-59.3	178	0	0	0	108.9	F919 L923 F940 I951 F957 G1047 L1048 L1057 Q1058	F919-I1060 HydrophobicContact CE1-CG2 4.37Å; F919-I1060 HydrophobicContact CZ-CG2 4.24Å; L923-I1060 HydrophobicContact CD1-CD1 3.86Å; L923-I1060 HydrophobicContact CD2-CD1 3.77Å; F940-I1060 HydrophobicContact CE1-CD1 4.49Å; I951-I1060 HydrophobicContact CD1-CD1 3.91Å; I951-I1060 HydrophobicContact CG1-CD1 3.59Å; I951-I1060 HydrophobicContact CG1-CG1 3.76Å; I951-I1060 HydrophobicContact CG1-CG2 4.19Å; F957-I1060 HydrophobicContact CD2-CG2 3.77Å; F957-I1060 HydrophobicContact CE2-CG2 3.87Å; G1047-I1060 CarbonylContact C-O 2.97Å; G1047-I1060 VanDerWaalsContact CA-O 3.31Å; G1047-I1060 WeakPolarHBondContact CA-O 3.48Å; L1048-I1060 WeakPolarHBondContact CB-O 3.25Å; L1048-I1060 HydrophobicContact CD1-CG2 4.38Å; L1048-I1060 WeakPolarHBondContact CG-O 2.85Å; L1048-I1060 PolarHBondContact N-O 3.33Å; L1057-I1060 HydrophobicContact CD1-CD1 3.9Å; Q1058-I1060 PolarHBondContact O-N 3.38Å
1061	Y	98.5	Very high	94.1	Very high	35 Å²	35	19.4 Å²	19.4	14%	0.137	9%	0.094	C	C	.	.			trans	-115.4	168.8	-175	-63	-72.7	0	0	0	112.5	W1043 N1044 V1045 P1059 I1100 N1102	W1043-Y1061 WeakPolarHBondContact O-CD1 3.42Å; W1043-Y1061 WeakPolarHBondContact O-CE1 3.43Å; N1044-Y1061 WeakPolarHBondContact O-CE1 3.27Å; V1045-Y1061 PolarHBondContact O-OH 3.16Å; P1059-Y1061 HydrophobicContact CB-CD2 4.39Å; P1059-Y1061 HydrophobicContact CB-CE2 3.56Å; Y1061-I1100 HydrophobicContact CD2-CD1 4.3Å; Y1061-I1100 HydrophobicContact CD2-CG1 4.25Å; Y1061-I1100 HydrophobicContact CE2-CD1 4.1Å; Y1061-I1100 HydrophobicContact CE2-CG1 3.61Å; Y1061-I1100 PolarHBondContact OH-N 3.37Å; Y1061-I1100 PolarHBondContact OH-O 3.05Å; Y1061-N1102 HydrophobicContact CD1-CB 3.56Å; Y1061-N1102 HydrophobicContact CE1-CB 4.16Å; Y1061-N1102 HydrophobicContact CG-CB 3.83Å
1062	L	98.2	Very high	93.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	9%	0.092	C	C	.	.			trans	-90.3	132.2	174.5	-67.6	169.7	0	0	0	109.7	F957 L959 L1048 V1065 N1102 P1104	F957-L1062 HydrophobicContact CB-CD2 4.36Å; F957-L1062 CarbonylContact O-C 3.3Å; F957-L1062 WeakPolarHBondContact O-CA 3.47Å; L959-L1062 HydrophobicContact CB-CD1 3.7Å; L959-L1062 HydrophobicContact CB-CD2 3.88Å; L959-L1062 HydrophobicContact CB-CG 4.42Å; L959-L1062 HydrophobicContact CD2-CD1 3.83Å; L959-L1062 HydrophobicContact CG-CD1 4.42Å; L1048-L1062 HydrophobicContact CD1-CD2 3.8Å; L1048-L1062 HydrophobicContact CD1-CG 4Å; L1048-L1062 HydrophobicContact CD2-CD1 4.46Å; L1048-L1062 HydrophobicContact CD2-CG 4.29Å; L1048-L1062 HydrophobicContact CG-CG 4.5Å; L1062-V1065 HydrophobicContact CD1-CG2 4.03Å; L1062-N1102 PolarHBondContact O-ND2 3.17Å; L1062-N1102 PolarHBondContact O-OD1 3.02Å; L1062-P1104 HydrophobicContact CB-CB 4.43Å; L1062-P1104 WeakPolarHBondContact O-CB 3.35Å
1063	K	97.6	Very high	93	Very high	142 Å²	142	20.7 Å²	20.7	62%	0.617	10%	0.099	S	C	*	.	S	Bend	trans	-79.1	-29.4	172.2	-173.4	63.7	174.7	-179.2	0	111.7	F957 K1105	F957-K1063 PolarHBondContact O-N 3.43Å; K1063-K1105 PolarHBondContact O-N 2.83Å
1064	S	97.4	Very high	92.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.3	172.6	66.3	0	0	0	0	114.3	F840 H958 L959 K1105	F840-S1064 WeakPolarHBondContact CZ-OG 3.46Å; H958-S1064 WeakPolarHBondContact CB-OG 3.21Å; H958-S1064 PolarHBondContact ND1-OG 2.95Å; L959-S1064 PolarHBondContact N-O 2.68Å; S1064-K1105 CarbonylContact C-O 3.39Å; S1064-K1105 WeakPolarHBondContact CA-O 3.25Å; S1064-K1105 WeakPolarHBondContact CB-O 3.18Å
1065	V	97.9	Very high	92.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.7	169.7	-178.7	0	0	0	0	109.4	L959 L1062 L1067 I1080 P1104 K1105 V1106 G1107	L959-V1065 HydrophobicContact CB-CG2 4.42Å; L959-V1065 CarbonylContact O-C 3.43Å; L959-V1065 WeakPolarHBondContact O-CA 3.32Å; L1062-V1065 HydrophobicContact CD1-CG2 4.03Å; V1065-L1067 HydrophobicContact CG1-CD2 4.49Å; V1065-I1080 HydrophobicContact CB-CD1 4.26Å; V1065-I1080 HydrophobicContact CG2-CD1 3.97Å; V1065-P1104 HydrophobicContact CG2-CB 4.17Å; V1065-P1104 HydrophobicContact CG2-CG 3.96Å; V1065-K1105 PolarHBondContact N-O 3.14Å; V1065-V1106 WeakPolarHBondContact O-CA 3.31Å; V1065-G1107 PolarHBondContact O-N 2.97Å; V1065-G1107 VanDerWaalsContact O-N 3.1Å
1066	T	94.6	Very high	92.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130	179	-59.9	0	0	0	0	110.6	H841 I844 L959 Y960 I961 G1107 V1109	H841-T1066 HydrophobicContact CB-CG2 3.82Å; H841-T1066 PolarHBondContact ND1-OG1 2.9Å; H841-T1066 WeakPolarHBondContact O-CG2 3.28Å; I844-T1066 HydrophobicContact CG2-CG2 4.48Å; L959-T1066 PolarHBondContact O-N 3.21Å; Y960-T1066 WeakPolarHBondContact CA-O 3.41Å; Y960-T1066 HydrophobicContact CD2-CG2 3.92Å; Y960-T1066 HydrophobicContact CE2-CG2 4.37Å; I961-T1066 PolarHBondContact N-O 2.84Å; T1066-G1107 WeakPolarHBondContact CA-O 3.38Å; T1066-V1109 HydrophobicContact CG2-CG1 4.31Å
1067	L	91.3	Very high	92.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.9	172	-60.6	-170.8	0	0	0	112.8	I961 A964 V1065 L1070 F1071 L1076 G1107 R1108 V1109	I961-L1067 HydrophobicContact CB-CD2 3.98Å; I961-L1067 HydrophobicContact CD1-CD2 4.29Å; I961-L1067 HydrophobicContact CG1-CD2 4.33Å; I961-L1067 CarbonylContact O-C 3.58Å; I961-L1067 WeakPolarHBondContact O-CA 3.27Å; A964-L1067 HydrophobicContact CB-CD1 4.21Å; V1065-L1067 HydrophobicContact CG1-CD2 4.49Å; L1067-L1070 WeakPolarHBondContact CD1-O 3.08Å; L1067-F1071 HydrophobicContact CB-CB 4.44Å; L1067-F1071 HydrophobicContact CB-CD2 4.31Å; L1067-F1071 HydrophobicContact CD1-CD2 4.21Å; L1067-F1071 HydrophobicContact CG-CD2 4.38Å; L1067-L1076 HydrophobicContact CD1-CD1 4.16Å; L1067-L1076 HydrophobicContact CD1-CD2 3.74Å; L1067-L1076 HydrophobicContact CD1-CG 4.46Å; L1067-L1076 HydrophobicContact CG-CD2 3.89Å; L1067-G1107 PolarHBondContact N-O 2.79Å; L1067-R1108 WeakPolarHBondContact O-CA 3.48Å; L1067-V1109 PolarHBondContact O-N 2.9Å
1068	G	82.4	Confident	92.1	Very high	15 Å²	15	18.9 Å²	18.9	16%	0.155	9%	0.092	C	C	.	.	S	Bend	trans	-81.9	-27.3	170.1	0	0	0	0	0	114.5	I961	I961-G1068 PolarHBondContact O-N 3.17Å
1069	Y	80.5	Confident	92.1	Very high	31 Å²	31	17.4 Å²	17.4	12%	0.122	9%	0.085	C	C	.	.	S	Bend	trans	-150.6	149.8	-174.2	-171.4	-102.9	0	0	0	110.7	S962 T963 A964 K974 Y1112 S1114	S962-Y1069 VanDerWaalsContact O-CB 3.26Å; S962-Y1069 WeakPolarHBondContact O-CB 3.19Å; S962-Y1069 PolarHBondContact O-N 3.47Å; T963-Y1069 CarbonylContact C-O 3.49Å; T963-Y1069 VanDerWaalsContact CA-O 3.23Å; T963-Y1069 WeakPolarHBondContact CA-O 3.44Å; A964-Y1069 PolarHBondContact N-O 3.24Å; K974-Y1069 PolarHBondContact NZ-OH 3.31Å; Y1069-Y1112 HydrophobicContact CD2-CD2 4.08Å; Y1069-Y1112 AromaticContact CD2-CE2 3.31Å; Y1069-Y1112 HydrophobicContact CD2-CE2 3.31Å; Y1069-Y1112 AromaticContact CD2-CZ 3.95Å; Y1069-Y1112 AromaticContact CE2-CE2 3.48Å; Y1069-Y1112 HydrophobicContact CE2-CE2 3.48Å; Y1069-Y1112 VanDerWaalsContact CE2-CE2 3.48Å; Y1069-Y1112 AromaticContact CE2-CZ 3.61Å; Y1069-Y1112 VanDerWaalsContact CE2-OH 3.26Å; Y1069-Y1112 WeakPolarHBondContact CE2-OH 3.32Å; Y1069-Y1112 HydrophobicContact CG-CE2 4.35Å; Y1069-S1114 WeakPolarHBondContact CE2-O 3.49Å
1070	L	77.6	Confident	92.1	Very high	35 Å²	35	16.5 Å²	16.5	18%	0.183	8%	0.079	C	C	.	.	S	Bend	trans	52.1	66.9	-173.9	-70.8	165.1	0	0	0	112.7	A964 F972 K974 L1067	A964-L1070 HydrophobicContact CB-CB 3.76Å; A964-L1070 WeakPolarHBondContact CB-O 3.43Å; F972-L1070 HydrophobicContact CE1-CB 4.38Å; F972-L1070 HydrophobicContact CZ-CB 4.01Å; F972-L1070 HydrophobicContact CZ-CD2 4.16Å; K974-L1070 HydrophobicContact CD-CD2 4.11Å; K974-L1070 HydrophobicContact CG-CD2 3.94Å; L1067-L1070 WeakPolarHBondContact CD1-O 3.08Å
1071	F	85.8	Confident	92	Very high	23 Å²	23	16.1 Å²	16.1	10%	0.101	8%	0.077	C	C	.	.			trans	-99.3	132	168.4	-177.9	-92.5	0	0	0	111.1	L1067 Q1073 L1076 V1106 G1107 R1108	L1067-F1071 HydrophobicContact CB-CB 4.44Å; L1067-F1071 HydrophobicContact CB-CD2 4.31Å; L1067-F1071 HydrophobicContact CD1-CD2 4.21Å; L1067-F1071 HydrophobicContact CG-CD2 4.38Å; F1071-Q1073 HydrophobicContact CE1-CB 4.01Å; F1071-Q1073 HydrophobicContact CZ-CB 3.91Å; F1071-L1076 HydrophobicContact CD2-CD2 4.18Å; F1071-L1076 HydrophobicContact CE2-CD2 4.02Å; F1071-V1106 HydrophobicContact CE2-CB 4.14Å; F1071-V1106 HydrophobicContact CE2-CG2 4.31Å; F1071-V1106 HydrophobicContact CZ-CG2 4.23Å; F1071-G1107 WeakPolarHBondContact CD2-O 3.27Å; F1071-G1107 VanDerWaalsContact CE2-C 3.4Å; F1071-G1107 VanDerWaalsContact CE2-CA 3.44Å; F1071-R1108 HydrophobicContact CB-CB 3.77Å; F1071-R1108 HydrophobicContact CD1-CB 3.96Å; F1071-R1108 HydrophobicContact CD1-CG 3.95Å; F1071-R1108 HydrophobicContact CD2-CB 4.17Å; F1071-R1108 HydrophobicContact CE1-CG 4.33Å; F1071-R1108 HydrophobicContact CG-CB 3.7Å; F1071-R1108 HydrophobicContact CG-CG 4.23Å
1072	S	85.5	Confident	91.8	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.021	7%	0.072	C	C	.	.			trans	-139.8	137.7	150.3	161.1	0	0	0	0	107.3	D978 H1075 L1076	D978-S1072 WeakPolarHBondContact OD2-CA 3.24Å; D978-S1072 VanDerWaalsContact OD2-CB 3.23Å; D978-S1072 WeakPolarHBondContact OD2-CB 3.41Å; D978-S1072 PolarHBondContact OD2-OG 2.91Å; S1072-H1075 PolarHBondContact OG-ND1 2.75Å; S1072-H1075 VanDerWaalsContact OG-ND1 3.11Å; S1072-L1076 VanDerWaalsContact O-CB 3.29Å; S1072-L1076 WeakPolarHBondContact O-CB 3.36Å; S1072-L1076 PolarHBondContact O-N 2.7Å
1073	Q	88	Confident	91.7	Very high	42 Å²	42	14.6 Å²	14.6	20%	0.196	7%	0.072	C	C	.	.	H	α-helix	trans	-65.2	-49.9	-174.3	177.2	168.7	-11.1	0	0	110.7	D978 R987 F1071 H1075 L1076 T1077 V1106	D978-Q1073 PolarHBondContact OD2-N 3.05Å; R987-Q1073 PolarHBondContact O-NE2 3.44Å; R987-Q1073 VanDerWaalsContact O-NE2 3.14Å; F1071-Q1073 HydrophobicContact CE1-CB 4.01Å; F1071-Q1073 HydrophobicContact CZ-CB 3.91Å; Q1073-H1075 PolarHBondContact O-N 3.44Å; Q1073-L1076 PolarHBondContact O-N 3.18Å; Q1073-T1077 HydrophobicContact CG-CG2 4.39Å; Q1073-T1077 WeakPolarHBondContact O-CB 3.43Å; Q1073-T1077 WeakPolarHBondContact O-CG2 3.5Å; Q1073-T1077 PolarHBondContact O-N 3.4Å; Q1073-T1077 PolarHBondContact O-OG1 2.94Å; Q1073-V1106 HydrophobicContact CG-CG2 4.02Å
1074	G	89.8	Confident	91.5	Very high	4 Å²	4	8 Å²	8	4%	0.041	4%	0.043	C	C	.	.	H	α-helix	trans	-65.7	-39.9	-178.7	0	0	0	0	0	113.3	Y989 T1077 R1078	Y989-G1074 WeakPolarHBondContact O-CA 3.34Å; G1074-T1077 PolarHBondContact O-OG1 2.91Å; G1074-R1078 WeakPolarHBondContact O-CB 3.42Å; G1074-R1078 PolarHBondContact O-N 3.21Å
1075	H	91.7	Very high	91.3	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-65.9	-44.8	177.5	-75	93.4	0	0	0	113	F972 E993 Q997 S1072 Q1073 R1078 A1079	F972-H1075 HydrophobicContact CB-CB 4.49Å; F972-H1075 VanDerWaalsContact CB-CD2 3.44Å; F972-H1075 WeakPolarHBondContact CB-CD2 3.2Å; F972-H1075 HydrophobicContact CD1-CB 3.98Å; F972-H1075 HydrophobicContact CE1-CB 4.38Å; F972-H1075 HydrophobicContact CG-CB 4.25Å; F972-H1075 AromaticContact CG-CG 3.84Å; E993-H1075 IonicContact OE1-CE1 3.63Å; E993-H1075 PolarHBondContact OE1-CE1 3.42Å; E993-H1075 IonicContact OE1-NE2 2.77Å; E993-H1075 IonicContact OE2-CE1 2.78Å; E993-H1075 IonicContact OE2-NE2 3.26Å; E993-H1075 PolarHBondContact OE2-NE2 2.87Å; Q997-H1075 PolarHBondContact NE2-NE2 3.45Å; S1072-H1075 PolarHBondContact OG-ND1 2.75Å; S1072-H1075 VanDerWaalsContact OG-ND1 3.11Å; Q1073-H1075 PolarHBondContact O-N 3.44Å; H1075-R1078 PolarHBondContact CD2-NH1 2.85Å; H1075-R1078 PolarHBondContact CD2-NH2 2.91Å; H1075-R1078 PolarHBondContact NE2-NH1 3.3Å; H1075-A1079 VanDerWaalsContact O-CB 3.27Å; H1075-A1079 WeakPolarHBondContact O-CB 3.38Å; H1075-A1079 PolarHBondContact O-N 3.49Å
1076	L	93.9	Very high	90.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-70.1	-46.9	178.7	-177.6	61.3	0	0	0	111.6	P965 L1067 F1071 S1072 Q1073 A1079 I1080 V1106	P965-L1076 HydrophobicContact CG-CD1 4.2Å; L1067-L1076 HydrophobicContact CD1-CD1 4.16Å; L1067-L1076 HydrophobicContact CD1-CD2 3.74Å; L1067-L1076 HydrophobicContact CD1-CG 4.46Å; L1067-L1076 HydrophobicContact CG-CD2 3.89Å; F1071-L1076 HydrophobicContact CD2-CD2 4.18Å; F1071-L1076 HydrophobicContact CE2-CD2 4.02Å; S1072-L1076 VanDerWaalsContact O-CB 3.29Å; S1072-L1076 WeakPolarHBondContact O-CB 3.36Å; S1072-L1076 PolarHBondContact O-N 2.7Å; Q1073-L1076 PolarHBondContact O-N 3.18Å; L1076-A1079 PolarHBondContact O-N 2.82Å; L1076-A1079 VanDerWaalsContact O-N 3.16Å; L1076-I1080 HydrophobicContact CD1-CD1 4.25Å; L1076-I1080 HydrophobicContact CD1-CG2 3.87Å; L1076-I1080 HydrophobicContact CG-CD1 4.11Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.16Å; L1076-I1080 PolarHBondContact O-N 2.91Å; L1076-V1106 HydrophobicContact CD2-CB 3.95Å; L1076-V1106 HydrophobicContact CD2-CG1 3.76Å; L1076-V1106 HydrophobicContact CG-CG1 4.08Å
1077	T	95.3	Very high	90.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-45.7	-177.1	53.7	0	0	0	0	112	H988 Q1073 G1074 A1079 I1080 C1081 C1082 V1106	H988-T1077 HydrophobicContact CB-CG2 4.03Å; H988-T1077 WeakPolarHBondContact CE1-CB 3.39Å; H988-T1077 WeakPolarHBondContact ND1-CG2 3.29Å; Q1073-T1077 HydrophobicContact CG-CG2 4.39Å; Q1073-T1077 WeakPolarHBondContact O-CB 3.43Å; Q1073-T1077 WeakPolarHBondContact O-CG2 3.5Å; Q1073-T1077 PolarHBondContact O-N 3.4Å; Q1073-T1077 PolarHBondContact O-OG1 2.94Å; G1074-T1077 PolarHBondContact O-OG1 2.91Å; T1077-A1079 VanDerWaalsContact C-N 3.31Å; T1077-A1079 PolarHBondContact O-N 2.91Å; T1077-I1080 PolarHBondContact O-N 3.31Å; T1077-C1081 PolarHBondContact O-N 3.22Å; T1077-C1081 PolarHBondContact O-SG 2.84Å; T1077-C1082 PolarHBondContact O-N 2.88Å; T1077-V1106 HydrophobicContact CG2-CB 4.38Å; T1077-V1106 HydrophobicContact CG2-CG1 3.89Å; T1077-V1106 HydrophobicContact CG2-CG2 3.58Å
1078	R	95.3	Very high	90.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-47.3	-56.1	167.5	176.6	-174.3	74.3	-139.6	12.6	110.8	D968 P990 V991 F992 Q997 G1074 H1075 I1080 R1083	D968-R1078 PolarHBondContact O-NH2 2.89Å; D968-R1078 IonicContact OD1-CZ 3.41Å; D968-R1078 IonicContact OD1-NE 2.86Å; D968-R1078 PolarHBondContact OD1-NE 2.95Å; D968-R1078 IonicContact OD1-NH2 3.28Å; D968-R1078 PolarHBondContact OD1-NH2 3.1Å; D968-R1078 IonicContact OD2-CZ 3.4Å; D968-R1078 IonicContact OD2-NE 2.98Å; D968-R1078 PolarHBondContact OD2-NE 3.25Å; D968-R1078 IonicContact OD2-NH2 3.78Å; P990-R1078 HydrophobicContact CB-CB 4.04Å; V991-R1078 VanDerWaalsContact O-CD 3.31Å; V991-R1078 WeakPolarHBondContact O-CD 3.43Å; V991-R1078 PolarHBondContact O-NH1 2.85Å; F992-R1078 HydrophobicContact CD1-CG 4.26Å; F992-R1078 HydrophobicContact CE1-CG 3.65Å; F992-R1078 HydrophobicContact CE2-CG 4.37Å; F992-R1078 HydrophobicContact CZ-CG 3.72Å; Q997-R1078 VanDerWaalsContact OE1-NH1 3.11Å; G1074-R1078 WeakPolarHBondContact O-CB 3.42Å; G1074-R1078 PolarHBondContact O-N 3.21Å; H1075-R1078 PolarHBondContact CD2-NH1 2.85Å; H1075-R1078 PolarHBondContact CD2-NH2 2.91Å; H1075-R1078 PolarHBondContact NE2-NH1 3.3Å; R1078-I1080 PolarHBondContact O-N 3.49Å; R1078-R1083 HydrophobicContact CG-CB 4.14Å; R1078-R1083 WeakPolarHBondContact O-CB 3.38Å; R1078-R1083 WeakPolarHBondContact O-CG 3.22Å; R1078-R1083 PolarHBondContact O-N 3.15Å
1079	A	96.6	Very high	90.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-33.1	-170.6	0	0	0	0	0	113.8	D968 H1075 L1076 T1077 R1083	D968-A1079 HydrophobicContact CB-CB 3.91Å; D968-A1079 WeakPolarHBondContact OD2-CA 3.24Å; D968-A1079 WeakPolarHBondContact OD2-CB 2.95Å; H1075-A1079 VanDerWaalsContact O-CB 3.27Å; H1075-A1079 WeakPolarHBondContact O-CB 3.38Å; H1075-A1079 PolarHBondContact O-N 3.49Å; L1076-A1079 PolarHBondContact O-N 2.82Å; L1076-A1079 VanDerWaalsContact O-N 3.16Å; T1077-A1079 VanDerWaalsContact C-N 3.31Å; T1077-A1079 PolarHBondContact O-N 2.91Å; A1079-R1083 PolarHBondContact O-NE 2.94Å; A1079-R1083 VanDerWaalsContact O-NE 3.15Å; A1079-R1083 PolarHBondContact O-NH2 2.96Å
1080	I	97.1	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-106.2	-12.3	-174.3	76.7	179.3	0	0	0	115.5	I1040 L1041 N1044 V1065 L1076 T1077 R1078 P1104 V1106	I1040-I1080 HydrophobicContact CB-CB 4.43Å; I1040-I1080 HydrophobicContact CB-CG2 4.12Å; I1040-I1080 HydrophobicContact CG2-CB 3.85Å; I1040-I1080 HydrophobicContact CG2-CG2 3.86Å; L1041-I1080 VanDerWaalsContact CA-O 3.3Å; L1041-I1080 WeakPolarHBondContact CA-O 3.33Å; N1044-I1080 PolarHBondContact ND2-O 2.91Å; V1065-I1080 HydrophobicContact CB-CD1 4.26Å; V1065-I1080 HydrophobicContact CG2-CD1 3.97Å; L1076-I1080 HydrophobicContact CD1-CD1 4.25Å; L1076-I1080 HydrophobicContact CD1-CG2 3.87Å; L1076-I1080 HydrophobicContact CG-CD1 4.11Å; L1076-I1080 WeakPolarHBondContact O-CG1 3.16Å; L1076-I1080 PolarHBondContact O-N 2.91Å; T1077-I1080 PolarHBondContact O-N 3.31Å; R1078-I1080 PolarHBondContact O-N 3.49Å; I1080-P1104 HydrophobicContact CD1-CG 3.91Å; I1080-V1106 HydrophobicContact CD1-CG1 4Å
1081	C	96.1	Very high	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.4	-69.7	177.8	46.3	0	0	0	0	111.8	H988 T1077 R1083 V1084 N1102	H988-C1081 PolarHBondContact CE1-SG 3.27Å; H988-C1081 PolarHBondContact ND1-SG 3.13Å; H988-C1081 VanDerWaalsContact ND1-SG 3.37Å; H988-C1081 PolarHBondContact NE2-SG 2.89Å; T1077-C1081 PolarHBondContact O-N 3.22Å; T1077-C1081 PolarHBondContact O-SG 2.84Å; C1081-R1083 PolarHBondContact O-N 3.28Å; C1081-V1084 WeakPolarHBondContact O-CG2 3.47Å; C1081-V1084 PolarHBondContact O-N 2.94Å; C1081-V1084 VanDerWaalsContact O-N 3.13Å; C1081-N1102 WeakPolarHBondContact CB-O 3.41Å
1082	C	95.5	Very high	92.1	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.034	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-59.2	-19.1	-160.9	-56.9	0	0	0	0	116.4	H988 P990 T1077 V1084 T1085 R1086 H1103	H988-C1082 WeakPolarHBondContact CB-SG 3.27Å; H988-C1082 PolarHBondContact CE1-SG 3.39Å; H988-C1082 PolarHBondContact ND1-SG 2.9Å; H988-C1082 VanDerWaalsContact ND1-SG 3.35Å; P990-C1082 HydrophobicContact CB-CB 3.68Å; P990-C1082 HydrophobicContact CG-CB 3.73Å; T1077-C1082 PolarHBondContact O-N 2.88Å; C1082-V1084 PolarHBondContact O-N 2.81Å; C1082-T1085 CarbonylContact O-C 3.54Å; C1082-T1085 PolarHBondContact O-N 3.18Å; C1082-T1085 PolarHBondContact O-OG1 3.35Å; C1082-R1086 PolarHBondContact O-N 3.37Å; C1082-H1103 PolarHBondContact SG-CE1 3.04Å; C1082-H1103 PolarHBondContact SG-ND1 3.08Å
1083	R	95.1	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.6	-24.6	175.8	69.3	-177.8	146.6	145.1	1	114	F992 G998 D1038 L1041 R1078 A1079 C1081 T1085 Y1208	F992-R1083 HydrophobicContact CE1-CB 4.35Å; F992-R1083 HydrophobicContact CZ-CB 4.22Å; G998-R1083 WeakPolarHBondContact O-CD 3.35Å; G998-R1083 PolarHBondContact O-NH1 3.41Å; D1038-R1083 IonicContact OD1-CZ 3.84Å; D1038-R1083 VanDerWaalsContact OD1-CZ 3.28Å; D1038-R1083 IonicContact OD1-NH1 2.69Å; D1038-R1083 PolarHBondContact OD1-NH1 2.96Å; D1038-R1083 IonicContact OD1-NH2 3.67Å; D1038-R1083 PolarHBondContact OD1-NH2 3.31Å; L1041-R1083 HydrophobicContact CD2-CG 4.15Å; R1078-R1083 HydrophobicContact CG-CB 4.14Å; R1078-R1083 WeakPolarHBondContact O-CB 3.38Å; R1078-R1083 WeakPolarHBondContact O-CG 3.22Å; R1078-R1083 PolarHBondContact O-N 3.15Å; A1079-R1083 PolarHBondContact O-NE 2.94Å; A1079-R1083 VanDerWaalsContact O-NE 3.15Å; A1079-R1083 PolarHBondContact O-NH2 2.96Å; C1081-R1083 PolarHBondContact O-N 3.28Å; R1083-T1085 VanDerWaalsContact C-N 3.35Å; R1083-Y1208 HydrophobicContact CB-CE1 4.36Å; R1083-Y1208 HydrophobicContact CB-CE2 4.19Å; R1083-Y1208 HydrophobicContact CG-CE2 4.47Å; R1083-Y1208 WeakPolarHBondContact O-CE2 3.46Å; R1083-Y1208 VanDerWaalsContact O-CZ 3.3Å; R1083-Y1208 PolarHBondContact O-OH 2.96Å
1084	V	95	Very high	92.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-87.8	-1.2	174.3	-54.3	0	0	0	0	114	L1041 V1045 C1081 C1082 F1091 V1101 L1203 M1206	L1041-V1084 HydrophobicContact CD1-CG1 4.04Å; L1041-V1084 HydrophobicContact CD1-CG2 4.17Å; L1041-V1084 HydrophobicContact CD2-CG1 3.94Å; L1041-V1084 HydrophobicContact CG-CG1 4.47Å; V1045-V1084 HydrophobicContact CG2-CG2 4.42Å; C1081-V1084 WeakPolarHBondContact O-CG2 3.47Å; C1081-V1084 PolarHBondContact O-N 2.94Å; C1081-V1084 VanDerWaalsContact O-N 3.13Å; C1082-V1084 PolarHBondContact O-N 2.81Å; V1084-F1091 HydrophobicContact CB-CD1 3.71Å; V1084-F1091 HydrophobicContact CB-CE1 3.87Å; V1084-F1091 HydrophobicContact CB-CG 4.25Å; V1084-F1091 HydrophobicContact CG2-CD1 3.72Å; V1084-F1091 HydrophobicContact CG2-CE1 3.71Å; V1084-F1091 VanDerWaalsContact O-CB 3.22Å; V1084-F1091 WeakPolarHBondContact O-CB 3.31Å; V1084-F1091 WeakPolarHBondContact O-CD1 3.22Å; V1084-V1101 HydrophobicContact CG2-CG1 3.81Å; V1084-V1101 HydrophobicContact CG2-CG2 4.1Å; V1084-L1203 HydrophobicContact CG1-CD2 4.05Å; V1084-M1206 HydrophobicContact CB-CE 3.93Å; V1084-M1206 HydrophobicContact CG1-CE 3.98Å
1085	T	92.3	Very high	92.9	Very high	31 Å²	31	32.5 Å²	32.5	19%	0.19	20%	0.198	C	C	.	.	S	Bend	trans	-127.5	18.4	176.4	43.2	0	0	0	0	112	C1082 R1083 E1092 V1101 H1103	C1082-T1085 CarbonylContact O-C 3.54Å; C1082-T1085 PolarHBondContact O-N 3.18Å; C1082-T1085 PolarHBondContact O-OG1 3.35Å; R1083-T1085 VanDerWaalsContact C-N 3.35Å; T1085-E1092 HydrophobicContact CG2-CB 4.43Å; T1085-V1101 HydrophobicContact CG2-CB 4.36Å; T1085-V1101 HydrophobicContact CG2-CG1 4.23Å; T1085-V1101 HydrophobicContact CG2-CG2 4.14Å; T1085-H1103 PolarHBondContact OG1-CE1 2.96Å; T1085-H1103 PolarHBondContact OG1-NE2 2.96Å
1086	R	87.8	Confident	92.9	Very high	114 Å²	114	41.3 Å²	41.3	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-42.7	178.2	-173.7	-164.5	69.2	-161.6	-5.5	111.6	F992 C1082 G1088 Y1208	F992-R1086 HydrophobicContact CD2-CG 4.45Å; F992-R1086 HydrophobicContact CE1-CG 4.48Å; F992-R1086 HydrophobicContact CE2-CB 4.37Å; F992-R1086 HydrophobicContact CE2-CG 3.77Å; F992-R1086 HydrophobicContact CZ-CB 4.06Å; F992-R1086 HydrophobicContact CZ-CG 3.79Å; C1082-R1086 PolarHBondContact O-N 3.37Å; R1086-G1088 VanDerWaalsContact C-N 3.29Å; R1086-G1088 PolarHBondContact O-N 3.23Å; R1086-Y1208 PolarHBondContact NH1-OH 3.42Å
1087	D	85.1	Confident	92.7	Very high	97 Å²	97	48.9 Å²	48.9	52%	0.519	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	34.5	-172.8	-49.4	-47.7	0	0	0	111.3
1088	G	86	Confident	92.6	Very high	43 Å²	43	50 Å²	50	44%	0.443	27%	0.273	S	S	.	.			trans	91.5	-171.5	-177.1	0	0	0	0	0	115	R1086	R1086-G1088 VanDerWaalsContact C-N 3.29Å; R1086-G1088 PolarHBondContact O-N 3.23Å
1089	S	87.9	Confident	92.7	Very high	68 Å²	68	50.3 Å²	50.3	48%	0.476	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.4	-174.7	60.1	0	0	0	0	114.6	F1091 E1092 D1093	S1089-F1091 CarbonylContact O-C 3.59Å; S1089-F1091 PolarHBondContact O-N 3.31Å; S1089-E1092 CarbonylContact O-C 3.6Å; S1089-E1092 WeakPolarHBondContact O-CA 3.45Å; S1089-E1092 WeakPolarHBondContact O-CB 3.3Å; S1089-E1092 PolarHBondContact O-N 3.07Å; S1089-D1093 WeakPolarHBondContact CB-OD2 3.47Å; S1089-D1093 PolarHBondContact O-N 3.24Å; S1089-D1093 PolarHBondContact OG-OD2 3.1Å
1090	A	91.3	Very high	92.7	Very high	73 Å²	73	53.9 Å²	53.9	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-56.4	-24.5	-167.9	0	0	0	0	0	115.6	G1094 Y1198	A1090-G1094 PolarHBondContact O-N 3.32Å; A1090-Y1198 PolarHBondContact O-OH 3.48Å
1091	F	94.7	Very high	92.7	Very high	15 Å²	15	54.1 Å²	54.1	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-75.7	-37.9	170.7	176.8	-93.9	0	0	0	112.9	V1045 V1084 S1089 L1095 V1101 Y1198 F1199 M1206	V1045-F1091 HydrophobicContact CG1-CE1 4.42Å; V1045-F1091 HydrophobicContact CG1-CZ 4.46Å; V1045-F1091 HydrophobicContact CG2-CE1 4.27Å; V1084-F1091 HydrophobicContact CB-CD1 3.71Å; V1084-F1091 HydrophobicContact CB-CE1 3.87Å; V1084-F1091 HydrophobicContact CB-CG 4.25Å; V1084-F1091 HydrophobicContact CG2-CD1 3.72Å; V1084-F1091 HydrophobicContact CG2-CE1 3.71Å; V1084-F1091 VanDerWaalsContact O-CB 3.22Å; V1084-F1091 WeakPolarHBondContact O-CB 3.31Å; V1084-F1091 WeakPolarHBondContact O-CD1 3.22Å; S1089-F1091 CarbonylContact O-C 3.59Å; S1089-F1091 PolarHBondContact O-N 3.31Å; F1091-L1095 HydrophobicContact CE1-CD1 4.27Å; F1091-L1095 HydrophobicContact CZ-CD2 4.41Å; F1091-V1101 HydrophobicContact CD1-CG2 3.93Å; F1091-V1101 HydrophobicContact CE1-CG2 3.99Å; F1091-Y1198 WeakPolarHBondContact CA-OH 3.47Å; F1091-Y1198 HydrophobicContact CD2-CD1 4.47Å; F1091-Y1198 AromaticContact CD2-CE1 3.61Å; F1091-Y1198 HydrophobicContact CD2-CE1 3.61Å; F1091-Y1198 AromaticContact CE2-CD1 3.84Å; F1091-Y1198 HydrophobicContact CE2-CD1 3.84Å; F1091-Y1198 AromaticContact CE2-CE1 3.41Å; F1091-Y1198 HydrophobicContact CE2-CE1 3.41Å; F1091-Y1198 VanDerWaalsContact CE2-CE1 3.41Å; F1091-Y1198 HydrophobicContact CG-CE1 4.31Å; F1091-Y1198 HydrophobicContact CZ-CD1 4.21Å; F1091-Y1198 AromaticContact CZ-CE1 3.97Å; F1091-Y1198 HydrophobicContact CZ-CE1 3.97Å; F1091-Y1198 VanDerWaalsContact O-CE1 3.28Å; F1091-Y1198 WeakPolarHBondContact O-CE1 3.48Å; F1091-Y1198 PolarHBondContact O-OH 3.1Å; F1091-F1199 HydrophobicContact CZ-CB 4.39Å; F1091-F1199 HydrophobicContact CZ-CD2 4.05Å; F1091-M1206 HydrophobicContact CD2-CE 3.75Å; F1091-M1206 HydrophobicContact CE2-CE 4.23Å; F1091-M1206 HydrophobicContact CG-CE 4.09Å
1092	E	93.4	Very high	92.8	Very high	62 Å²	62	55.2 Å²	55.2	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-73.3	-41.8	176.2	-178	149.6	-139.7	0	0	111.5	T1085 S1089 G1094 L1095 V1101	T1085-E1092 HydrophobicContact CG2-CB 4.43Å; S1089-E1092 CarbonylContact O-C 3.6Å; S1089-E1092 WeakPolarHBondContact O-CA 3.45Å; S1089-E1092 WeakPolarHBondContact O-CB 3.3Å; S1089-E1092 PolarHBondContact O-N 3.07Å; E1092-G1094 PolarHBondContact O-N 3.15Å; E1092-L1095 VanDerWaalsContact O-CB 3.3Å; E1092-L1095 WeakPolarHBondContact O-CB 3.43Å; E1092-L1095 PolarHBondContact O-N 3.07Å; E1092-V1101 HydrophobicContact CB-CG2 3.85Å; E1092-V1101 HydrophobicContact CG-CB 4.49Å; E1092-V1101 HydrophobicContact CG-CG2 4.07Å; E1092-V1101 PolarHBondContact OE1-N 3.43Å
1093	D	92.4	Very high	92.8	Very high	116 Å²	116	58.5 Å²	58.5	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-60.9	-27.9	177	-59.1	-42.6	0	0	0	112.5	S1089	S1089-D1093 WeakPolarHBondContact CB-OD2 3.47Å; S1089-D1093 PolarHBondContact O-N 3.24Å; S1089-D1093 PolarHBondContact OG-OD2 3.1Å
1094	G	93.1	Very high	92.9	Very high	35 Å²	35	58.5 Å²	58.5	36%	0.361	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.4	173.4	0	0	0	0	0	115.2	A1090 E1092 Y1198	A1090-G1094 PolarHBondContact O-N 3.32Å; E1092-G1094 PolarHBondContact O-N 3.15Å; G1094-Y1198 WeakPolarHBondContact CA-OH 3.45Å
1095	L	94.7	Very high	92.9	Very high	17 Å²	17	63.6 Å²	63.6	9%	0.089	34%	0.337	C	S	.	.	S	Bend	trans	-77.1	124.7	172.6	-67.6	172.6	0	0	0	110.4	V1045 F1091 E1092 H1097 V1101 Y1198	V1045-L1095 HydrophobicContact CG1-CD1 3.97Å; V1045-L1095 HydrophobicContact CG1-CD2 3.82Å; F1091-L1095 HydrophobicContact CE1-CD1 4.27Å; F1091-L1095 HydrophobicContact CZ-CD2 4.41Å; E1092-L1095 VanDerWaalsContact O-CB 3.3Å; E1092-L1095 WeakPolarHBondContact O-CB 3.43Å; E1092-L1095 PolarHBondContact O-N 3.07Å; L1095-H1097 PolarHBondContact O-N 3.45Å; L1095-V1101 HydrophobicContact CD1-CG2 3.76Å; L1095-Y1198 HydrophobicContact CD2-CD1 3.71Å; L1095-Y1198 HydrophobicContact CD2-CE1 3.99Å; L1095-Y1198 HydrophobicContact CG-CD1 4.49Å; L1095-Y1198 HydrophobicContact CG-CE1 4.3Å
1096	R	92.2	Very high	93	Very high	188 Å²	188	62.8 Å²	62.8	71%	0.709	33%	0.332	S	S	*	.			trans	-71.8	125.3	171.9	-63.5	-175.1	-178.4	-167.6	-2.4	109.6	F1099	R1096-F1099 PolarHBondContact O-N 3.01Å
1097	H	90.1	Very high	93	Very high	161 Å²	161	57.7 Å²	57.7	75%	0.745	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	129.5	163	-176.1	84.8	0	0	0	109.3	L1095	L1095-H1097 PolarHBondContact O-N 3.45Å
1098	P	93.1	Very high	92.8	Very high	24 Å²	24	56.9 Å²	56.9	16%	0.156	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	7.1	20.8	40	-42.2	0	0	0	116.3	Q1058 P1059	Q1058-P1098 VanDerWaalsContact OE1-CB 3.31Å; Q1058-P1098 VanDerWaalsContact OE1-CG 3.25Å; P1059-P1098 VanDerWaalsContact CD-CG 3.49Å; P1059-P1098 HydrophobicContact CG-CB 4.12Å; P1059-P1098 HydrophobicContact CG-CG 3.77Å
1099	F	97.2	Very high	92.4	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	29%	0.288	C	S	.	.			trans	-85	142.8	-176.7	-59.7	-82.4	0	0	0	111.9	L1046 T1054 P1059 R1096 D1191 Y1192 A1195	L1046-F1099 HydrophobicContact CD2-CD1 4.46Å; T1054-F1099 HydrophobicContact CG2-CZ 4.22Å; P1059-F1099 HydrophobicContact CB-CD1 4.16Å; P1059-F1099 HydrophobicContact CB-CE1 4.23Å; P1059-F1099 HydrophobicContact CG-CD1 3.56Å; P1059-F1099 HydrophobicContact CG-CE1 3.53Å; P1059-F1099 HydrophobicContact CG-CG 4.2Å; P1059-F1099 HydrophobicContact CG-CZ 4.12Å; R1096-F1099 PolarHBondContact O-N 3.01Å; F1099-D1191 HydrophobicContact CE2-CB 3.95Å; F1099-Y1192 HydrophobicContact CE1-CD2 4.15Å; F1099-Y1192 HydrophobicContact CZ-CD2 4.22Å; F1099-A1195 HydrophobicContact CB-CB 4.36Å; F1099-A1195 HydrophobicContact CD1-CB 4.3Å; F1099-A1195 HydrophobicContact CD2-CB 3.54Å; F1099-A1195 HydrophobicContact CE2-CB 3.82Å; F1099-A1195 HydrophobicContact CG-CB 3.8Å; F1099-A1195 HydrophobicContact CZ-CB 4.31Å
1100	I	96.8	Very high	91.3	Very high	75 Å²	75	55.3 Å²	55.3	39%	0.385	29%	0.286	S	S	.	.			trans	-137.5	172	179.6	61	168.5	0	0	0	110.2	V1045 Y1061	V1045-I1100 WeakPolarHBondContact CA-O 3.33Å; Y1061-I1100 HydrophobicContact CD2-CD1 4.3Å; Y1061-I1100 HydrophobicContact CD2-CG1 4.25Å; Y1061-I1100 HydrophobicContact CE2-CD1 4.1Å; Y1061-I1100 HydrophobicContact CE2-CG1 3.61Å; Y1061-I1100 PolarHBondContact OH-N 3.37Å; Y1061-I1100 PolarHBondContact OH-O 3.05Å
1101	V	97.3	Very high	89.4	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.03	29%	0.292	C	S	.	.			trans	-90.3	102.1	163.2	-173	0	0	0	0	108.4	V1084 T1085 F1091 E1092 L1095 H1103	V1084-V1101 HydrophobicContact CG2-CG1 3.81Å; V1084-V1101 HydrophobicContact CG2-CG2 4.1Å; T1085-V1101 HydrophobicContact CG2-CB 4.36Å; T1085-V1101 HydrophobicContact CG2-CG1 4.23Å; T1085-V1101 HydrophobicContact CG2-CG2 4.14Å; F1091-V1101 HydrophobicContact CD1-CG2 3.93Å; F1091-V1101 HydrophobicContact CE1-CG2 3.99Å; E1092-V1101 HydrophobicContact CB-CG2 3.85Å; E1092-V1101 HydrophobicContact CG-CB 4.49Å; E1092-V1101 HydrophobicContact CG-CG2 4.07Å; E1092-V1101 PolarHBondContact OE1-N 3.43Å; L1095-V1101 HydrophobicContact CD1-CG2 3.76Å; V1101-H1103 PolarHBondContact O-CD2 2.99Å; V1101-H1103 PolarHBondContact O-N 3.35Å
1102	N	97.4	Very high	87	Confident	24 Å²	24	63.6 Å²	63.6	13%	0.128	31%	0.311	C	S	.	.			trans	-73.6	121.2	177	-179.6	65.5	0	0	0	111.6	N1044 Y1061 L1062 C1081 P1104	N1044-N1102 HydrophobicContact CB-CB 4.07Å; N1044-N1102 WeakPolarHBondContact CB-O 3.47Å; N1044-N1102 VanDerWaalsContact O-CB 3.23Å; N1044-N1102 WeakPolarHBondContact O-CB 3.35Å; N1044-N1102 PolarHBondContact O-N 3.16Å; N1044-N1102 PolarHBondContact OD1-ND2 3.13Å; Y1061-N1102 HydrophobicContact CD1-CB 3.56Å; Y1061-N1102 HydrophobicContact CE1-CB 4.16Å; Y1061-N1102 HydrophobicContact CG-CB 3.83Å; L1062-N1102 PolarHBondContact O-ND2 3.17Å; L1062-N1102 PolarHBondContact O-OD1 3.02Å; C1081-N1102 WeakPolarHBondContact CB-O 3.41Å; N1102-P1104 WeakPolarHBondContact O-CD 3.45Å
1103	H	96.3	Very high	84.7	Confident	73 Å²	73	62.9 Å²	62.9	34%	0.338	31%	0.309	S	S	.	.			trans	-101.6	90.1	170.5	-75.8	-106.9	0	0	0	109.7	H988 C1082 T1085 V1101	H988-H1103 AromaticContact CE1-CE1 3.75Å; H988-H1103 AromaticContact CE1-CG 3.87Å; H988-H1103 AromaticContact CE1-ND1 2.92Å; H988-H1103 PolarHBondContact CE1-ND1 3.4Å; H988-H1103 AromaticContact ND1-ND1 3.29Å; H988-H1103 PolarHBondContact ND1-ND1 3.28Å; H988-H1103 VanDerWaalsContact NE2-CA 3.35Å; H988-H1103 WeakPolarHBondContact NE2-CA 3.29Å; C1082-H1103 PolarHBondContact SG-CE1 3.04Å; C1082-H1103 PolarHBondContact SG-ND1 3.08Å; T1085-H1103 PolarHBondContact OG1-CE1 2.96Å; T1085-H1103 PolarHBondContact OG1-NE2 2.96Å; V1101-H1103 PolarHBondContact O-CD2 2.99Å; V1101-H1103 PolarHBondContact O-N 3.35Å
1104	P	96.6	Very high	82.3	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-74.9	144.6	-178.8	30.7	-35.6	0	0	0	111.5	H988 L1062 V1065 I1080 N1102 V1106	H988-P1104 VanDerWaalsContact NE2-CD 3.33Å; H988-P1104 WeakPolarHBondContact NE2-CD 3.31Å; H988-P1104 PolarHBondContact NE2-O 3.11Å; L1062-P1104 HydrophobicContact CB-CB 4.43Å; L1062-P1104 WeakPolarHBondContact O-CB 3.35Å; V1065-P1104 HydrophobicContact CG2-CB 4.17Å; V1065-P1104 HydrophobicContact CG2-CG 3.96Å; I1080-P1104 HydrophobicContact CD1-CG 3.91Å; N1102-P1104 WeakPolarHBondContact O-CD 3.45Å; P1104-V1106 PolarHBondContact O-N 2.99Å
1105	K	95.4	Very high	79.9	Confident	108 Å²	108	65.7 Å²	65.7	47%	0.47	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	116.9	170.2	175.5	170.4	180	167.7	0	109.6	H841 K1063 S1064 V1065	H841-K1105 WeakPolarHBondContact NE2-CE 3.49Å; K1063-K1105 PolarHBondContact O-N 2.83Å; S1064-K1105 CarbonylContact C-O 3.39Å; S1064-K1105 WeakPolarHBondContact CA-O 3.25Å; S1064-K1105 WeakPolarHBondContact CB-O 3.18Å; V1065-K1105 PolarHBondContact N-O 3.14Å
1106	V	93.4	Very high	77.7	Confident	15 Å²	15	73.5 Å²	73.5	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	154.1	174.4	-65.1	0	0	0	0	111.3	V1065 F1071 Q1073 L1076 T1077 I1080 P1104	V1065-V1106 WeakPolarHBondContact O-CA 3.31Å; F1071-V1106 HydrophobicContact CE2-CB 4.14Å; F1071-V1106 HydrophobicContact CE2-CG2 4.31Å; F1071-V1106 HydrophobicContact CZ-CG2 4.23Å; Q1073-V1106 HydrophobicContact CG-CG2 4.02Å; L1076-V1106 HydrophobicContact CD2-CB 3.95Å; L1076-V1106 HydrophobicContact CD2-CG1 3.76Å; L1076-V1106 HydrophobicContact CG-CG1 4.08Å; T1077-V1106 HydrophobicContact CG2-CB 4.38Å; T1077-V1106 HydrophobicContact CG2-CG1 3.89Å; T1077-V1106 HydrophobicContact CG2-CG2 3.58Å; I1080-V1106 HydrophobicContact CD1-CG1 4Å; P1104-V1106 PolarHBondContact O-N 2.99Å
1107	G	87.6	Confident	75.9	Confident	7 Å²	7	69 Å²	69	7%	0.072	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	174.9	169.6	0	0	0	0	0	114.5	H841 V1065 T1066 L1067 F1071	H841-G1107 VanDerWaalsContact CE1-CA 3.48Å; H841-G1107 WeakPolarHBondContact CE1-CA 3.35Å; H841-G1107 PolarHBondContact CE1-N 2.89Å; V1065-G1107 PolarHBondContact O-N 2.97Å; V1065-G1107 VanDerWaalsContact O-N 3.1Å; T1066-G1107 WeakPolarHBondContact CA-O 3.38Å; L1067-G1107 PolarHBondContact N-O 2.79Å; F1071-G1107 WeakPolarHBondContact CD2-O 3.27Å; F1071-G1107 VanDerWaalsContact CE2-C 3.4Å; F1071-G1107 VanDerWaalsContact CE2-CA 3.44Å
1108	R	82.5	Confident	74.2	Confident	80 Å²	80	66.2 Å²	66.2	30%	0.302	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	155.9	179.4	49.8	-179.7	-84.2	-169.3	-7.9	110.6	H841 D978 L1067 F1071	H841-R1108 WeakPolarHBondContact CB-O 3.32Å; D978-R1108 PolarHBondContact O-NH1 3.33Å; L1067-R1108 WeakPolarHBondContact O-CA 3.48Å; F1071-R1108 HydrophobicContact CB-CB 3.77Å; F1071-R1108 HydrophobicContact CD1-CB 3.96Å; F1071-R1108 HydrophobicContact CD1-CG 3.95Å; F1071-R1108 HydrophobicContact CD2-CB 4.17Å; F1071-R1108 HydrophobicContact CE1-CG 4.33Å; F1071-R1108 HydrophobicContact CG-CB 3.7Å; F1071-R1108 HydrophobicContact CG-CG 4.23Å
1109	V	77	Confident	72.5	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.079	34%	0.341	C	S	.	.			trans	-67	151.7	160.9	-60.6	0	0	0	0	110.7	D842 A845 Y960 T1066 L1067 I1111	D842-V1109 WeakPolarHBondContact OD1-CA 3.49Å; D842-V1109 WeakPolarHBondContact OD1-CB 3.49Å; A845-V1109 HydrophobicContact CB-CG1 3.4Å; A845-V1109 VanDerWaalsContact CB-CG1 3.4Å; Y960-V1109 HydrophobicContact CE2-CG1 4.48Å; T1066-V1109 HydrophobicContact CG2-CG1 4.31Å; L1067-V1109 PolarHBondContact O-N 2.9Å; V1109-I1111 WeakPolarHBondContact CG2-O 3.38Å
1110	S	63.8	Low	71	Confident	64 Å²	64	76.2 Å²	76.2	45%	0.448	38%	0.379	S	S	.	.	S	Bend	trans	-77.5	-47.1	175.7	-51.5	0	0	0	0	110.3	T839 D842 Y1112	T839-S1110 VanDerWaalsContact CG2-OG 3.3Å; T839-S1110 WeakPolarHBondContact CG2-OG 3.3Å; D842-S1110 PolarHBondContact OD1-N 2.65Å; D842-S1110 VanDerWaalsContact OD2-CB 3.3Å; D842-S1110 WeakPolarHBondContact OD2-CB 3.42Å; D842-S1110 PolarHBondContact OD2-OG 2.78Å; S1110-Y1112 PolarHBondContact O-N 2.88Å
1111	I	53	Low	69.6	Low	140 Å²	140	73.1 Å²	73.1	72%	0.718	36%	0.364	S	S	*	.	S	Bend	trans	-82.7	97	178	-56.1	179.9	0	0	0	109.2	V1109	V1109-I1111 WeakPolarHBondContact CG2-O 3.38Å
1112	Y	44.1	Very low	68.6	Low	123 Å²	123	76.7 Å²	76.7	48%	0.482	38%	0.379	S	S	.	.			trans	-101.1	123.1	177.6	166.3	-88.6	0	0	0	111	Y1069 S1110	Y1069-Y1112 HydrophobicContact CD2-CD2 4.08Å; Y1069-Y1112 AromaticContact CD2-CE2 3.31Å; Y1069-Y1112 HydrophobicContact CD2-CE2 3.31Å; Y1069-Y1112 AromaticContact CD2-CZ 3.95Å; Y1069-Y1112 AromaticContact CE2-CE2 3.48Å; Y1069-Y1112 HydrophobicContact CE2-CE2 3.48Å; Y1069-Y1112 VanDerWaalsContact CE2-CE2 3.48Å; Y1069-Y1112 AromaticContact CE2-CZ 3.61Å; Y1069-Y1112 VanDerWaalsContact CE2-OH 3.26Å; Y1069-Y1112 WeakPolarHBondContact CE2-OH 3.32Å; Y1069-Y1112 HydrophobicContact CG-CE2 4.35Å; S1110-Y1112 PolarHBondContact O-N 2.88Å
1113	D	45.1	Very low	67.9	Low	46 Å²	46	80.4 Å²	80.4	25%	0.246	40%	0.395	C	S	.	.			trans	-152.6	128.7	-179.6	-161.8	-46.7	0	0	0	107.8	N724 T725	N724-D1113 HydrophobicContact CB-CB 3.71Å; N724-D1113 WeakPolarHBondContact CB-OD1 3.49Å; T725-D1113 WeakPolarHBondContact CA-OD1 3.39Å; T725-D1113 PolarHBondContact N-OD1 3.17Å; T725-D1113 VanDerWaalsContact N-OD1 3.09Å; T725-D1113 PolarHBondContact OG1-OD1 2.85Å; T725-D1113 PolarHBondContact OG1-OD2 2.67Å
1114	S	41.1	Very low	67.5	Low	27 Å²	27	78.1 Å²	78.1	19%	0.189	39%	0.387	C	S	.	.			cis	-139.9	-171.8	3.9	128	0	0	0	0	111.3	Y1069	Y1069-S1114 WeakPolarHBondContact CE2-O 3.49Å
1115	K	43.7	Very low	67.3	Low	184 Å²	184	78.1 Å²	78.1	80%	0.8	39%	0.386	S	S	*	.	S	Bend	trans	-35.7	142.7	164.6	-64.5	165.2	-178.3	169.4	0	111.7	Q1117	K1115-Q1117 PolarHBondContact O-N 3.09Å
1116	R	48	Very low	67.2	Low	180 Å²	180	73 Å²	73	68%	0.679	36%	0.364	S	S	*	.			trans	-52	96.7	-179	-178.1	-165	-179.5	-123.1	1.4	111.2	S1118	R1116-S1118 PolarHBondContact O-N 3.25Å
1117	Q	53.6	Low	67.3	Low	93 Å²	93	72.2 Å²	72.2	44%	0.435	36%	0.36	S	S	.	.			trans	-56.1	128.7	166.8	-53.7	169.8	-8.9	0	0	107.3	R866 K1115	R866-Q1117 PolarHBondContact NH1-O 2.77Å; K1115-Q1117 PolarHBondContact O-N 3.09Å
1118	S	54.6	Low	67.7	Low	104 Å²	104	72.6 Å²	72.6	73%	0.727	36%	0.359	S	S	*	.			trans	-97.7	-4.6	-172.3	50.1	0	0	0	0	114.1	R1116	R1116-S1118 PolarHBondContact O-N 3.25Å
1119	G	59	Low	68.3	Low	50 Å²	50	68.8 Å²	68.8	52%	0.515	34%	0.344	S	S	.	.	S	Bend	trans	-67.1	146.9	175.8	0	0	0	0	0	112.9
1120	K	64.1	Low	69.2	Low	188 Å²	188	71.7 Å²	71.7	82%	0.817	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-58.8	142.4	170.5	-63.1	-177.6	179.4	-177.7	0	110
1121	T	68.5	Low	70.5	Confident	10 Å²	10	70.9 Å²	70.9	6%	0.061	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.6	154.2	165.6	50.9	0	0	0	0	111	N891 R892 E1008	N891-T1121 WeakPolarHBondContact ND2-CG2 3.46Å; N891-T1121 PolarHBondContact ND2-OG1 3.24Å; N891-T1121 WeakPolarHBondContact OD1-CB 3.48Å; N891-T1121 PolarHBondContact OD1-OG1 3.12Å; R892-T1121 PolarHBondContact NH2-O 2.57Å; R892-T1121 VanDerWaalsContact NH2-O 3.11Å; R892-T1121 PolarHBondContact NH2-OG1 3.46Å; E1008-T1121 PolarHBondContact OE1-OG1 3.22Å
1122	K	74.9	Confident	72.2	Confident	81 Å²	81	65.3 Å²	65.3	35%	0.352	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.1	148.3	166.3	-79.1	-174.6	169.2	172.5	0	110.5	S862 L864 R866 T1124	S862-K1122 PolarHBondContact O-NZ 3.19Å; L864-K1122 WeakPolarHBondContact O-CD 3.25Å; L864-K1122 WeakPolarHBondContact O-CE 3.13Å; L864-K1122 PolarHBondContact O-NZ 3.26Å; R866-K1122 PolarHBondContact O-N 3.47Å; K1122-T1124 PolarHBondContact O-N 2.96Å
1123	E	83.8	Confident	74.3	Confident	102 Å²	102	61.3 Å²	61.3	48%	0.477	33%	0.325	S	S	.	.	S	Bend	trans	-79.1	-9.8	178.4	-50.4	-161.2	141.8	0	0	112.5	R892 G1141 T1142	R892-E1123 HydrophobicContact CG-CB 4.11Å; R892-E1123 HydrophobicContact CG-CG 4.43Å; R892-E1123 IonicContact NE-OE1 3.15Å; E1123-G1141 VanDerWaalsContact O-CA 3.29Å; E1123-G1141 WeakPolarHBondContact O-CA 3.46Å; E1123-G1141 PolarHBondContact O-N 2.91Å; E1123-T1142 HydrophobicContact CB-CG2 4.19Å; E1123-T1142 HydrophobicContact CG-CG2 4.48Å; E1123-T1142 WeakPolarHBondContact OE2-CG2 3.48Å
1124	T	88.7	Confident	76.1	Confident	25 Å²	25	65.1 Å²	65.1	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.4	-180	54.4	0	0	0	0	113.3	K1122 I1138 L1139 D1147	K1122-T1124 PolarHBondContact O-N 2.96Å; T1124-I1138 HydrophobicContact CG2-CG2 4.23Å; T1124-L1139 CarbonylContact C-O 3.57Å; T1124-L1139 VanDerWaalsContact CA-O 3.27Å; T1124-L1139 WeakPolarHBondContact CA-O 3.22Å; T1124-D1147 VanDerWaalsContact CG2-OD2 3.29Å; T1124-D1147 WeakPolarHBondContact CG2-OD2 3.41Å
1125	S	92.1	Very high	78.2	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	110.3	-174.8	144.7	0	0	0	0	109.9	T889 L1139	T889-S1125 VanDerWaalsContact O-CA 3.28Å; T889-S1125 WeakPolarHBondContact O-CA 3.42Å; T889-S1125 VanDerWaalsContact O-CB 3.25Å; T889-S1125 WeakPolarHBondContact O-CB 3.27Å; T889-S1125 PolarHBondContact O-OG 3.02Å; S1125-L1139 PolarHBondContact N-O 2.97Å; S1125-L1139 WeakPolarHBondContact O-CB 3.34Å; S1125-L1139 PolarHBondContact O-N 3.45Å
1126	V	92.3	Very high	80.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140.7	175.4	-176.9	0	0	0	0	109.5	L863 G888 T889 L1136 E1137	L863-V1126 HydrophobicContact CD1-CG2 4.35Å; L863-V1126 HydrophobicContact CD2-CG2 3.8Å; G888-V1126 CarbonylContact C-O 3.32Å; G888-V1126 WeakPolarHBondContact CA-O 3.44Å; T889-V1126 HydrophobicContact CG2-CB 4.19Å; T889-V1126 PolarHBondContact N-O 3.37Å; T889-V1126 PolarHBondContact OG1-N 3.11Å; V1126-L1136 HydrophobicContact CG1-CB 4.47Å; V1126-L1136 HydrophobicContact CG1-CD1 4.03Å; V1126-L1136 HydrophobicContact CG1-CD2 3.75Å; V1126-L1136 HydrophobicContact CG1-CG 4.32Å; V1126-E1137 CarbonylContact C-O 3.41Å; V1126-E1137 WeakPolarHBondContact CA-O 3.5Å
1127	N	95.3	Very high	82.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.9	168.7	81.2	102.5	0	0	0	112.9	I914 E1137 R1155 V1156	I914-N1127 HydrophobicContact CG2-CB 3.22Å; N1127-E1137 PolarHBondContact N-O 2.94Å; N1127-E1137 WeakPolarHBondContact ND2-CB 3.39Å; N1127-E1137 VanDerWaalsContact ND2-CD 3.34Å; N1127-E1137 VanDerWaalsContact ND2-CG 3.3Å; N1127-E1137 WeakPolarHBondContact ND2-CG 3.4Å; N1127-E1137 PolarHBondContact ND2-O 3.05Å; N1127-E1137 PolarHBondContact ND2-OE2 3.5Å; N1127-E1137 PolarHBondContact O-N 3.21Å; N1127-R1155 VanDerWaalsContact OD1-CG 3.32Å; N1127-R1155 WeakPolarHBondContact OD1-CG 3.3Å; N1127-V1156 HydrophobicContact CB-CG2 4.37Å; N1127-V1156 WeakPolarHBondContact OD1-CG1 3.37Å
1128	W	96.3	Very high	84.2	Confident	14 Å²	14	51.2 Å²	51.2	5%	0.053	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	151.8	-179.5	176.6	87.7	0	0	0	111.6	L855 V884 S886 L887 L1130 G1133 L1136	L855-W1128 HydrophobicContact CD1-CB 4.38Å; L855-W1128 HydrophobicContact CD1-CD2 3.54Å; L855-W1128 HydrophobicContact CD1-CE3 3.96Å; L855-W1128 HydrophobicContact CD1-CG 3.73Å; L855-W1128 HydrophobicContact CD1-CZ2 4.27Å; L855-W1128 HydrophobicContact CD1-CZ3 4.49Å; V884-W1128 HydrophobicContact CB-CZ3 4.46Å; V884-W1128 HydrophobicContact CG1-CZ3 4.11Å; V884-W1128 WeakPolarHBondContact O-CH2 3.21Å; V884-W1128 WeakPolarHBondContact O-CZ3 3.35Å; S886-W1128 WeakPolarHBondContact CA-O 3.32Å; S886-W1128 PolarHBondContact OG-O 3.03Å; L887-W1128 HydrophobicContact CB-CB 4.48Å; L887-W1128 HydrophobicContact CB-CE3 3.99Å; L887-W1128 PolarHBondContact N-O 3.1Å; L887-W1128 PolarHBondContact O-N 2.93Å; W1128-L1130 HydrophobicContact CH2-CB 4.12Å; W1128-L1130 HydrophobicContact CH2-CD1 4.08Å; W1128-L1130 HydrophobicContact CZ2-CD1 4.39Å; W1128-G1133 PolarHBondContact NE1-O 3.07Å; W1128-L1136 HydrophobicContact CB-CD2 3.76Å; W1128-L1136 HydrophobicContact CG-CD2 4.11Å
1129	C	96.5	Very high	85.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.2	161.3	71.1	0	0	0	0	111.2	V885 G918 R921 F922 A1131 D1132	V885-C1129 CarbonylContact O-C 3.56Å; V885-C1129 VanDerWaalsContact O-CA 3.3Å; V885-C1129 WeakPolarHBondContact O-CA 3.49Å; V885-C1129 VanDerWaalsContact O-CB 3.32Å; V885-C1129 WeakPolarHBondContact O-CB 3.27Å; G918-C1129 WeakPolarHBondContact O-CB 3.29Å; R921-C1129 PolarHBondContact NH1-SG 2.85Å; F922-C1129 HydrophobicContact CB-CB 4.34Å; C1129-A1131 PolarHBondContact O-N 3.2Å; C1129-D1132 PolarHBondContact N-OD2 3.37Å; C1129-D1132 VanDerWaalsContact O-CB 3.28Å; C1129-D1132 WeakPolarHBondContact O-CB 3.36Å; C1129-D1132 PolarHBondContact O-N 3.12Å; C1129-D1132 PolarHBondContact SG-OD2 2.99Å
1130	L	94.4	Very high	87.5	Confident	74 Å²	74	45.2 Å²	45.2	39%	0.387	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-55.8	-24.3	-175.4	-175.5	62.4	0	0	0	114.1	V883 V885 F922 W1128 D1132	V883-L1130 HydrophobicContact CG2-CD1 4.49Å; V883-L1130 HydrophobicContact CG2-CD2 4.24Å; V885-L1130 HydrophobicContact CG1-CD2 4.21Å; V885-L1130 PolarHBondContact O-N 3.47Å; F922-L1130 HydrophobicContact CD2-CB 4.36Å; F922-L1130 HydrophobicContact CE2-CD2 4.32Å; W1128-L1130 HydrophobicContact CH2-CB 4.12Å; W1128-L1130 HydrophobicContact CH2-CD1 4.08Å; W1128-L1130 HydrophobicContact CZ2-CD1 4.39Å; L1130-D1132 VanDerWaalsContact C-N 3.25Å; L1130-D1132 PolarHBondContact O-N 3.32Å
1131	A	90.9	Very high	88.7	Confident	48 Å²	48	36.3 Å²	36.3	40%	0.397	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-74.6	-8.3	174.6	0	0	0	0	0	114.6	C1129	C1129-A1131 PolarHBondContact O-N 3.2Å
1132	D	89.3	Confident	89.7	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.123	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.4	178.7	-57	-33	0	0	0	112.9	R921 C1129 L1130 Y1134 D1135 R1155	R921-D1132 IonicContact CZ-OD1 3.26Å; R921-D1132 VanDerWaalsContact CZ-OD1 3.23Å; R921-D1132 IonicContact CZ-OD2 2.8Å; R921-D1132 IonicContact NH1-OD1 2.86Å; R921-D1132 PolarHBondContact NH1-OD1 2.89Å; R921-D1132 IonicContact NH1-OD2 2.74Å; R921-D1132 PolarHBondContact NH1-OD2 3.03Å; R921-D1132 IonicContact NH2-OD1 3.83Å; R921-D1132 PolarHBondContact NH2-OD1 2.9Å; R921-D1132 IonicContact NH2-OD2 3.39Å; C1129-D1132 PolarHBondContact N-OD2 3.37Å; C1129-D1132 VanDerWaalsContact O-CB 3.28Å; C1129-D1132 WeakPolarHBondContact O-CB 3.36Å; C1129-D1132 PolarHBondContact O-N 3.12Å; C1129-D1132 PolarHBondContact SG-OD2 2.99Å; L1130-D1132 VanDerWaalsContact C-N 3.25Å; L1130-D1132 PolarHBondContact O-N 3.32Å; D1132-Y1134 PolarHBondContact O-N 2.81Å; D1132-Y1134 VanDerWaalsContact O-N 3.12Å; D1132-D1135 PolarHBondContact O-N 3.33Å; D1132-R1155 IonicContact OD1-NH1 3.59Å; D1132-R1155 IonicContact OD2-CZ 3.65Å; D1132-R1155 IonicContact OD2-NH1 2.79Å; D1132-R1155 PolarHBondContact OD2-NH1 3.29Å
1133	G	88.2	Confident	90.5	Very high	39 Å²	39	36.9 Å²	36.9	40%	0.402	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-114.5	-176.5	0	0	0	0	0	111.6	W1128	W1128-G1133 PolarHBondContact NE1-O 3.07Å
1134	Y	82.4	Confident	90.9	Very high	126 Å²	126	32 Å²	32	49%	0.494	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.4	177.6	-64.1	-82.6	0	0	0	113.6	M819 L855 F859 D1132 L1136	M819-Y1134 HydrophobicContact CE-CE1 4.26Å; M819-Y1134 WeakPolarHBondContact CE-OH 3.42Å; L855-Y1134 HydrophobicContact CD2-CD1 4.48Å; F859-Y1134 WeakPolarHBondContact CE2-O 3.4Å; D1132-Y1134 PolarHBondContact O-N 2.81Å; D1132-Y1134 VanDerWaalsContact O-N 3.12Å; Y1134-L1136 PolarHBondContact O-N 3.03Å
1135	D	85.5	Confident	91.2	Very high	105 Å²	105	31.5 Å²	31.5	56%	0.561	17%	0.167	S	C	*	.			trans	-82.4	99.6	-169.9	-66.8	-18.3	0	0	0	111.6	D1132 R1155	D1132-D1135 PolarHBondContact O-N 3.33Å; D1135-R1155 PolarHBondContact O-NH1 3.26Å; D1135-R1155 PolarHBondContact O-NH2 3.46Å
1136	L	88.1	Confident	91.2	Very high	29 Å²	29	33 Å²	33	15%	0.152	18%	0.176	C	C	.	.			trans	-69	154.9	170.6	-71.5	-174	0	0	0	112.5	L855 T856 F859 L863 V1126 W1128 Y1134 R1155	L855-L1136 HydrophobicContact CB-CD1 4.14Å; L855-L1136 HydrophobicContact CB-CD2 3.88Å; L855-L1136 HydrophobicContact CB-CG 4.14Å; L855-L1136 HydrophobicContact CD1-CD2 4.09Å; L855-L1136 HydrophobicContact CG-CD2 4.4Å; L855-L1136 VanDerWaalsContact O-CD1 3.28Å; L855-L1136 WeakPolarHBondContact O-CD1 3.32Å; T856-L1136 HydrophobicContact CG2-CD1 4.23Å; F859-L1136 HydrophobicContact CD2-CD1 4.44Å; L863-L1136 HydrophobicContact CD1-CD1 4.18Å; V1126-L1136 HydrophobicContact CG1-CB 4.47Å; V1126-L1136 HydrophobicContact CG1-CD1 4.03Å; V1126-L1136 HydrophobicContact CG1-CD2 3.75Å; V1126-L1136 HydrophobicContact CG1-CG 4.32Å; W1128-L1136 HydrophobicContact CB-CD2 3.76Å; W1128-L1136 HydrophobicContact CG-CD2 4.11Å; Y1134-L1136 PolarHBondContact O-N 3.03Å; L1136-R1155 PolarHBondContact O-NH2 2.95Å
1137	E	91.5	Very high	90.7	Very high	19 Å²	19	36.8 Å²	36.8	9%	0.089	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.9	163	171.8	-177.8	-64.3	0	0	110.5	V1126 N1127 L1139 V1146 S1154 R1155	V1126-E1137 CarbonylContact C-O 3.41Å; V1126-E1137 WeakPolarHBondContact CA-O 3.5Å; N1127-E1137 PolarHBondContact N-O 2.94Å; N1127-E1137 WeakPolarHBondContact ND2-CB 3.39Å; N1127-E1137 VanDerWaalsContact ND2-CD 3.34Å; N1127-E1137 VanDerWaalsContact ND2-CG 3.3Å; N1127-E1137 WeakPolarHBondContact ND2-CG 3.4Å; N1127-E1137 PolarHBondContact ND2-O 3.05Å; N1127-E1137 PolarHBondContact ND2-OE2 3.5Å; N1127-E1137 PolarHBondContact O-N 3.21Å; E1137-L1139 HydrophobicContact CG-CD2 3.91Å; E1137-L1139 WeakPolarHBondContact OE2-CD2 3.47Å; E1137-V1146 HydrophobicContact CG-CG2 4.05Å; E1137-S1154 VanDerWaalsContact OE2-CA 3.24Å; E1137-S1154 WeakPolarHBondContact OE2-CA 3.32Å; E1137-S1154 VanDerWaalsContact OE2-CB 3.27Å; E1137-S1154 WeakPolarHBondContact OE2-CB 3.5Å; E1137-S1154 PolarHBondContact OE2-OG 3.33Å; E1137-R1155 VanDerWaalsContact OE1-CB 3.25Å; E1137-R1155 WeakPolarHBondContact OE1-CB 3.44Å; E1137-R1155 WeakPolarHBondContact OE1-CG 3.28Å; E1137-R1155 IonicContact OE1-CZ 2.97Å; E1137-R1155 PolarHBondContact OE1-N 3.18Å; E1137-R1155 IonicContact OE1-NE 2.73Å; E1137-R1155 PolarHBondContact OE1-NE 2.91Å; E1137-R1155 PolarHBondContact OE2-N 3.25Å
1138	I	91.4	Very high	90	Very high	39 Å²	39	38.2 Å²	38.2	20%	0.2	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.5	177.9	-51.9	168.6	0	0	0	107.8	L863 T1124 V1146 D1147	L863-I1138 HydrophobicContact CD2-CD1 3.76Å; L863-I1138 HydrophobicContact CD2-CG1 4.07Å; L863-I1138 HydrophobicContact CD2-CG2 4.48Å; L863-I1138 HydrophobicContact CG-CD1 4.34Å; T1124-I1138 HydrophobicContact CG2-CG2 4.23Å; I1138-V1146 WeakPolarHBondContact O-CA 3.47Å; I1138-D1147 HydrophobicContact CB-CB 4.26Å; I1138-D1147 HydrophobicContact CG2-CB 3.86Å; I1138-D1147 PolarHBondContact O-N 3.29Å
1139	L	91.8	Very high	88.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145	177.5	-55.2	-176.8	0	0	0	111.1	V906 I914 T1124 S1125 E1137 G1141 T1145 V1146 V1156	V906-L1139 HydrophobicContact CB-CD1 4.4Å; V906-L1139 HydrophobicContact CG1-CD1 4.39Å; V906-L1139 HydrophobicContact CG2-CD1 4.25Å; I914-L1139 HydrophobicContact CD1-CD1 4.22Å; T1124-L1139 CarbonylContact C-O 3.57Å; T1124-L1139 VanDerWaalsContact CA-O 3.27Å; T1124-L1139 WeakPolarHBondContact CA-O 3.22Å; S1125-L1139 PolarHBondContact N-O 2.97Å; S1125-L1139 WeakPolarHBondContact O-CB 3.34Å; S1125-L1139 PolarHBondContact O-N 3.45Å; E1137-L1139 HydrophobicContact CG-CD2 3.91Å; E1137-L1139 WeakPolarHBondContact OE2-CD2 3.47Å; L1139-G1141 PolarHBondContact O-N 2.86Å; L1139-T1145 VanDerWaalsContact CA-O 3.28Å; L1139-T1145 WeakPolarHBondContact CA-O 3.38Å; L1139-V1146 HydrophobicContact CD2-CG2 4.2Å; L1139-V1156 HydrophobicContact CD1-CG2 4.22Å
1140	D	91.3	Very high	87.5	Confident	28 Å²	28	53.3 Å²	53.3	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	115.4	156.3	179	-37.5	0	0	0	107.9	T1142 R1143 G1144 T1145	D1140-T1142 VanDerWaalsContact C-N 3.27Å; D1140-T1142 PolarHBondContact O-N 2.97Å; D1140-T1142 WeakPolarHBondContact OD1-CA 3.41Å; D1140-T1142 WeakPolarHBondContact OD1-CB 3.21Å; D1140-T1142 PolarHBondContact OD1-N 2.95Å; D1140-T1142 PolarHBondContact OD1-OG1 2.83Å; D1140-R1143 HydrophobicContact CB-CB 4.13Å; D1140-R1143 HydrophobicContact CB-CG 4.43Å; D1140-R1143 PolarHBondContact O-N 3.48Å; D1140-R1143 PolarHBondContact OD1-N 2.98Å; D1140-R1143 WeakPolarHBondContact OD2-CD 3.31Å; D1140-R1143 WeakPolarHBondContact OD2-CG 3.45Å; D1140-G1144 WeakPolarHBondContact O-CA 3.38Å; D1140-G1144 PolarHBondContact O-N 3.28Å; D1140-T1145 PolarHBondContact N-O 3.48Å
1141	G	90.1	Very high	86.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.9	-177.5	0	0	0	0	0	115.3	R892 C893 E1123 L1139	R892-G1141 CarbonylContact C-O 3.55Å; R892-G1141 VanDerWaalsContact CB-O 3.3Å; R892-G1141 WeakPolarHBondContact CB-O 3.41Å; C893-G1141 CarbonylContact C-O 3.57Å; C893-G1141 PolarHBondContact N-O 3.25Å; E1123-G1141 VanDerWaalsContact O-CA 3.29Å; E1123-G1141 WeakPolarHBondContact O-CA 3.46Å; E1123-G1141 PolarHBondContact O-N 2.91Å; L1139-G1141 PolarHBondContact O-N 2.86Å
1142	T	89.6	Confident	86.5	Confident	12 Å²	12	55.7 Å²	55.7	7%	0.074	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-19.6	175.9	78.4	0	0	0	0	113	R892 V894 K895 E1123 D1140	R892-T1142 HydrophobicContact CB-CG2 4.46Å; R892-T1142 HydrophobicContact CG-CG2 4.37Å; V894-T1142 VanDerWaalsContact CA-O 3.23Å; V894-T1142 WeakPolarHBondContact CA-O 3.3Å; K895-T1142 PolarHBondContact N-O 3.27Å; K895-T1142 VanDerWaalsContact N-O 3.14Å; E1123-T1142 HydrophobicContact CB-CG2 4.19Å; E1123-T1142 HydrophobicContact CG-CG2 4.48Å; E1123-T1142 WeakPolarHBondContact OE2-CG2 3.48Å; D1140-T1142 VanDerWaalsContact C-N 3.27Å; D1140-T1142 PolarHBondContact O-N 2.97Å; D1140-T1142 WeakPolarHBondContact OD1-CA 3.41Å; D1140-T1142 WeakPolarHBondContact OD1-CB 3.21Å; D1140-T1142 PolarHBondContact OD1-N 2.95Å; D1140-T1142 PolarHBondContact OD1-OG1 2.83Å
1143	R	90.9	Very high	86.6	Confident	92 Å²	92	57.8 Å²	57.8	35%	0.347	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-27.3	179.2	-58.3	173.1	76.3	-146.7	-0.7	112.9	T905 D1140 T1145 N1151	T905-R1143 WeakPolarHBondContact CG2-O 3.4Å; D1140-R1143 HydrophobicContact CB-CB 4.13Å; D1140-R1143 HydrophobicContact CB-CG 4.43Å; D1140-R1143 PolarHBondContact O-N 3.48Å; D1140-R1143 PolarHBondContact OD1-N 2.98Å; D1140-R1143 WeakPolarHBondContact OD2-CD 3.31Å; D1140-R1143 WeakPolarHBondContact OD2-CG 3.45Å; R1143-T1145 VanDerWaalsContact C-N 3.29Å; R1143-T1145 PolarHBondContact O-N 3.06Å; R1143-N1151 PolarHBondContact NH1-OD1 2.9Å; R1143-N1151 PolarHBondContact NH2-OD1 3.38Å
1144	G	93.2	Very high	87	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.			trans	72.7	20.5	178.3	0	0	0	0	0	113.9	T905 V906 D1140	T905-G1144 WeakPolarHBondContact CA-O 3.3Å; V906-G1144 PolarHBondContact N-O 2.86Å; V906-G1144 WeakPolarHBondContact O-CA 3.44Å; D1140-G1144 WeakPolarHBondContact O-CA 3.38Å; D1140-G1144 PolarHBondContact O-N 3.28Å
1145	T	93.8	Very high	87.7	Confident	14 Å²	14	52.2 Å²	52.2	9%	0.086	27%	0.266	C	S	.	.	S	Bend	trans	-111.1	169	173.7	56	0	0	0	0	110.2	T905 L1139 D1140 R1143	T905-T1145 HydrophobicContact CG2-CG2 3.96Å; L1139-T1145 VanDerWaalsContact CA-O 3.28Å; L1139-T1145 WeakPolarHBondContact CA-O 3.38Å; D1140-T1145 PolarHBondContact N-O 3.48Å; R1143-T1145 VanDerWaalsContact C-N 3.29Å; R1143-T1145 PolarHBondContact O-N 3.06Å
1146	V	92.1	Very high	88.2	Confident	31 Å²	31	47.2 Å²	47.2	19%	0.188	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-57.8	138.3	168.5	179.1	0	0	0	0	109.6	E1137 I1138 L1139 E1152	E1137-V1146 HydrophobicContact CG-CG2 4.05Å; I1138-V1146 WeakPolarHBondContact O-CA 3.47Å; L1139-V1146 HydrophobicContact CD2-CG2 4.2Å; V1146-E1152 HydrophobicContact CB-CB 4.05Å; V1146-E1152 HydrophobicContact CG2-CB 4.23Å; V1146-E1152 WeakPolarHBondContact CG2-O 3.38Å; V1146-E1152 PolarHBondContact N-O 3.37Å
1147	D	83.1	Confident	88.7	Confident	80 Å²	80	45.9 Å²	45.9	43%	0.428	23%	0.232	S	C	.	.	S	Bend	trans	-72.2	121.4	176.4	-170.5	9.4	0	0	0	109.9	T1124 I1138	T1124-D1147 VanDerWaalsContact CG2-OD2 3.29Å; T1124-D1147 WeakPolarHBondContact CG2-OD2 3.41Å; I1138-D1147 HydrophobicContact CB-CB 4.26Å; I1138-D1147 HydrophobicContact CG2-CB 3.86Å; I1138-D1147 PolarHBondContact O-N 3.29Å
1148	G	79.1	Confident	88.9	Confident	30 Å²	30	45.7 Å²	45.7	31%	0.309	23%	0.23	S	C	.	.	S	Bend	trans	143.8	167.2	-174.8	0	0	0	0	0	114.3	R1150 N1151	G1148-R1150 PolarHBondContact O-N 3.23Å; G1148-R1150 VanDerWaalsContact O-N 3.09Å; G1148-N1151 PolarHBondContact O-N 3.39Å
1149	P	69.7	Low	89.2	Confident	132 Å²	132	46.3 Å²	46.3	86%	0.857	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.2	-167.1	26.8	-36.1	0	0	0	114.8
1150	R	71.4	Confident	89.4	Confident	199 Å²	199	48.2 Å²	48.2	75%	0.751	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-4.2	-176.8	-70.1	179.5	176.1	-174.3	-0.2	114.5	G1148 E1152	G1148-R1150 PolarHBondContact O-N 3.23Å; G1148-R1150 VanDerWaalsContact O-N 3.09Å; R1150-E1152 VanDerWaalsContact C-N 3.3Å; R1150-E1152 HydrophobicContact CB-CG 3.55Å; R1150-E1152 WeakPolarHBondContact CB-OE1 3.42Å; R1150-E1152 WeakPolarHBondContact CD-OE1 3.34Å; R1150-E1152 PolarHBondContact O-N 3.32Å
1151	N	74.6	Confident	89.7	Confident	71 Å²	71	47.6 Å²	47.6	38%	0.38	24%	0.238	S	C	.	.			trans	54.1	42.7	176.8	-47.5	-49	0	0	0	113.3	R1143 G1148	R1143-N1151 PolarHBondContact NH1-OD1 2.9Å; R1143-N1151 PolarHBondContact NH2-OD1 3.38Å; G1148-N1151 PolarHBondContact O-N 3.39Å
1152	E	89.1	Confident	90.1	Very high	100 Å²	100	47.6 Å²	47.6	47%	0.467	24%	0.238	S	C	.	.			trans	-71.1	160.6	-163.7	-55	-170.2	172.1	0	0	113.5	V1146 R1150 S1154	V1146-E1152 HydrophobicContact CB-CB 4.05Å; V1146-E1152 HydrophobicContact CG2-CB 4.23Å; V1146-E1152 WeakPolarHBondContact CG2-O 3.38Å; V1146-E1152 PolarHBondContact N-O 3.37Å; R1150-E1152 VanDerWaalsContact C-N 3.3Å; R1150-E1152 HydrophobicContact CB-CG 3.55Å; R1150-E1152 WeakPolarHBondContact CB-OE1 3.42Å; R1150-E1152 WeakPolarHBondContact CD-OE1 3.34Å; R1150-E1152 PolarHBondContact O-N 3.32Å; E1152-S1154 PolarHBondContact O-N 3.37Å
1153	L	92.8	Very high	90.4	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.356	25%	0.247	S	C	.	.			trans	-80.8	103.6	-171.7	-61.6	-176.7	0	0	0	111.5	E904 R1155 K1159 N1160	E904-L1153 HydrophobicContact CB-CD2 3.57Å; E904-L1153 HydrophobicContact CG-CD1 4.28Å; E904-L1153 HydrophobicContact CG-CD2 3.75Å; L1153-R1155 PolarHBondContact O-N 3.08Å; L1153-K1159 HydrophobicContact CD1-CD 4.14Å; L1153-N1160 PolarHBondContact O-ND2 3.25Å
1154	S	95.9	Very high	90.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.			trans	-43.7	135.3	177.9	170.8	0	0	0	0	113.5	E1137 E1152 V1156 S1157 N1160	E1137-S1154 VanDerWaalsContact OE2-CA 3.24Å; E1137-S1154 WeakPolarHBondContact OE2-CA 3.32Å; E1137-S1154 VanDerWaalsContact OE2-CB 3.27Å; E1137-S1154 WeakPolarHBondContact OE2-CB 3.5Å; E1137-S1154 PolarHBondContact OE2-OG 3.33Å; E1152-S1154 PolarHBondContact O-N 3.37Å; S1154-V1156 PolarHBondContact O-N 3.17Å; S1154-V1156 VanDerWaalsContact O-N 3.13Å; S1154-V1156 WeakPolarHBondContact OG-CG2 3.33Å; S1154-V1156 PolarHBondContact OG-N 2.89Å; S1154-V1156 VanDerWaalsContact OG-N 3.16Å; S1154-S1157 WeakPolarHBondContact O-CB 3.3Å; S1154-S1157 PolarHBondContact O-N 2.9Å; S1154-S1157 PolarHBondContact O-OG 3.33Å; S1154-N1160 PolarHBondContact O-ND2 2.62Å
1155	R	96	Very high	91	Very high	48 Å²	48	47.3 Å²	47.3	18%	0.181	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.3	173.9	74.5	-174	67.4	174.6	-2.8	112.8	R921 N1127 D1132 D1135 L1136 E1137 L1153 N1160	R921-R1155 WeakPolarHBondContact CD-O 3.39Å; R921-R1155 VanDerWaalsContact NH1-CD 3.27Å; N1127-R1155 VanDerWaalsContact OD1-CG 3.32Å; N1127-R1155 WeakPolarHBondContact OD1-CG 3.3Å; D1132-R1155 IonicContact OD1-NH1 3.59Å; D1132-R1155 IonicContact OD2-CZ 3.65Å; D1132-R1155 IonicContact OD2-NH1 2.79Å; D1132-R1155 PolarHBondContact OD2-NH1 3.29Å; D1135-R1155 PolarHBondContact O-NH1 3.26Å; D1135-R1155 PolarHBondContact O-NH2 3.46Å; L1136-R1155 PolarHBondContact O-NH2 2.95Å; E1137-R1155 VanDerWaalsContact OE1-CB 3.25Å; E1137-R1155 WeakPolarHBondContact OE1-CB 3.44Å; E1137-R1155 WeakPolarHBondContact OE1-CG 3.28Å; E1137-R1155 IonicContact OE1-CZ 2.97Å; E1137-R1155 PolarHBondContact OE1-N 3.18Å; E1137-R1155 IonicContact OE1-NE 2.73Å; E1137-R1155 PolarHBondContact OE1-NE 2.91Å; E1137-R1155 PolarHBondContact OE2-N 3.25Å; L1153-R1155 PolarHBondContact O-N 3.08Å; R1155-N1160 WeakPolarHBondContact O-CB 3.39Å
1156	V	97.4	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.9	175.6	-71.3	0	0	0	0	114.5	V906 I914 R917 R921 N1127 L1139 S1154 I1161	V906-V1156 HydrophobicContact CG2-CG2 4.16Å; I914-V1156 HydrophobicContact CD1-CG2 4.47Å; R917-V1156 HydrophobicContact CB-CB 3.87Å; R917-V1156 HydrophobicContact CB-CG1 3.88Å; R917-V1156 PolarHBondContact NE-O 3.41Å; R917-V1156 PolarHBondContact NH2-O 3.28Å; R921-V1156 HydrophobicContact CG-CG1 4.48Å; N1127-V1156 HydrophobicContact CB-CG2 4.37Å; N1127-V1156 WeakPolarHBondContact OD1-CG1 3.37Å; L1139-V1156 HydrophobicContact CD1-CG2 4.22Å; S1154-V1156 PolarHBondContact O-N 3.17Å; S1154-V1156 VanDerWaalsContact O-N 3.13Å; S1154-V1156 WeakPolarHBondContact OG-CG2 3.33Å; S1154-V1156 PolarHBondContact OG-N 2.89Å; S1154-V1156 VanDerWaalsContact OG-N 3.16Å; V1156-I1161 VanDerWaalsContact O-CD1 3.3Å; V1156-I1161 WeakPolarHBondContact O-CD1 3.29Å
1157	S	97.2	Very high	91.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-57	161.3	172.5	66.8	0	0	0	0	113	E904 S1154 K1159 N1160 I1161	E904-S1157 VanDerWaalsContact O-CB 3.26Å; E904-S1157 WeakPolarHBondContact O-CB 3.21Å; S1154-S1157 WeakPolarHBondContact O-CB 3.3Å; S1154-S1157 PolarHBondContact O-N 2.9Å; S1154-S1157 PolarHBondContact O-OG 3.33Å; S1157-K1159 VanDerWaalsContact C-N 3.28Å; S1157-K1159 PolarHBondContact O-N 2.94Å; S1157-N1160 PolarHBondContact O-N 3.04Å; S1157-N1160 WeakPolarHBondContact OG-CB 3.05Å; S1157-N1160 PolarHBondContact OG-N 3Å; S1157-N1160 PolarHBondContact OG-ND2 3.09Å; S1157-I1161 WeakPolarHBondContact O-CB 3.08Å; S1157-I1161 WeakPolarHBondContact O-CG1 3.43Å; S1157-I1161 PolarHBondContact O-N 3.17Å
1158	K	97.6	Very high	91.9	Very high	15 Å²	15	49.2 Å²	49.2	7%	0.065	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-37.1	179.2	-51	-175.6	-157.6	71.6	0	110.8	G903 T905 N907 F1162 Y1182 E1218 F1221	G903-K1158 WeakPolarHBondContact O-CA 3.44Å; G903-K1158 WeakPolarHBondContact O-CB 3.37Å; G903-K1158 PolarHBondContact O-N 2.63Å; T905-K1158 PolarHBondContact O-NZ 2.78Å; N907-K1158 VanDerWaalsContact OD1-CE 3.23Å; N907-K1158 WeakPolarHBondContact OD1-CE 3.35Å; N907-K1158 PolarHBondContact OD1-NZ 3.27Å; K1158-F1162 VanDerWaalsContact O-CB 3.29Å; K1158-F1162 WeakPolarHBondContact O-CB 3.44Å; K1158-F1162 PolarHBondContact O-N 3.2Å; K1158-Y1182 HydrophobicContact CB-CE1 4.31Å; K1158-Y1182 HydrophobicContact CB-CE2 4.29Å; K1158-Y1182 HydrophobicContact CD-CE1 3.98Å; K1158-E1218 WeakPolarHBondContact CE-OE1 3.16Å; K1158-E1218 IonicContact NZ-OE1 2.65Å; K1158-E1218 PolarHBondContact NZ-OE1 3.02Å; K1158-F1221 HydrophobicContact CB-CE1 4.4Å; K1158-F1221 HydrophobicContact CB-CZ 4.09Å
1159	K	96.4	Very high	92.7	Very high	52 Å²	52	47.8 Å²	47.8	23%	0.226	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-48.8	176.5	-169.4	176.2	173.6	-171.6	0	111.6	G903 E904 L1153 S1157 F1162 L1163 L1223	G903-K1159 PolarHBondContact O-N 2.97Å; E904-K1159 HydrophobicContact CG-CD 3.48Å; E904-K1159 VanDerWaalsContact CG-CD 3.48Å; E904-K1159 IonicContact OE1-NZ 3.25Å; E904-K1159 PolarHBondContact OE1-NZ 3.17Å; L1153-K1159 HydrophobicContact CD1-CD 4.14Å; S1157-K1159 VanDerWaalsContact C-N 3.28Å; S1157-K1159 PolarHBondContact O-N 2.94Å; K1159-F1162 PolarHBondContact O-N 3.27Å; K1159-L1163 WeakPolarHBondContact O-CG 3.46Å; K1159-L1163 PolarHBondContact O-N 2.93Å; K1159-L1223 HydrophobicContact CG-CD2 3.69Å
1160	N	96.7	Very high	93.9	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-37.1	179.2	-72.3	-17.7	0	0	0	113.1	L1153 S1154 R1155 S1157 F1162 L1163 L1164	L1153-N1160 PolarHBondContact O-ND2 3.25Å; S1154-N1160 PolarHBondContact O-ND2 2.62Å; R1155-N1160 WeakPolarHBondContact O-CB 3.39Å; S1157-N1160 PolarHBondContact O-N 3.04Å; S1157-N1160 WeakPolarHBondContact OG-CB 3.05Å; S1157-N1160 PolarHBondContact OG-N 3Å; S1157-N1160 PolarHBondContact OG-ND2 3.09Å; N1160-F1162 VanDerWaalsContact C-N 3.29Å; N1160-F1162 PolarHBondContact O-N 2.94Å; N1160-L1163 PolarHBondContact O-N 3.36Å; N1160-L1164 PolarHBondContact O-N 2.93Å; N1160-L1164 VanDerWaalsContact O-N 3.07Å
1161	I	97.8	Very high	94.9	Very high	14 Å²	14	40 Å²	40	7%	0.072	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-35.7	170.7	-68.9	174.1	0	0	0	111.3	R917 I920 Y924 V1156 S1157 L1164 F1165	R917-I1161 HydrophobicContact CB-CD1 4.39Å; I920-I1161 HydrophobicContact CG2-CG2 4.14Å; Y924-I1161 HydrophobicContact CE2-CG2 4.09Å; V1156-I1161 VanDerWaalsContact O-CD1 3.3Å; V1156-I1161 WeakPolarHBondContact O-CD1 3.29Å; S1157-I1161 WeakPolarHBondContact O-CB 3.08Å; S1157-I1161 WeakPolarHBondContact O-CG1 3.43Å; S1157-I1161 PolarHBondContact O-N 3.17Å; I1161-L1164 PolarHBondContact O-N 3.37Å; I1161-F1165 PolarHBondContact O-N 2.82Å
1162	F	97.8	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-73.8	-30.9	176	-167.3	-141.7	0	0	0	113	L1052 K1158 K1159 N1160 F1165 K1166 S1181 Y1182 A1185 F1221 L1223	L1052-F1162 HydrophobicContact CD1-CD2 4.07Å; K1158-F1162 VanDerWaalsContact O-CB 3.29Å; K1158-F1162 WeakPolarHBondContact O-CB 3.44Å; K1158-F1162 PolarHBondContact O-N 3.2Å; K1159-F1162 PolarHBondContact O-N 3.27Å; N1160-F1162 VanDerWaalsContact C-N 3.29Å; N1160-F1162 PolarHBondContact O-N 2.94Å; F1162-F1165 HydrophobicContact CD2-CB 4.13Å; F1162-F1165 AromaticContact CD2-CD1 3.6Å; F1162-F1165 HydrophobicContact CD2-CD1 3.6Å; F1162-F1165 HydrophobicContact CD2-CE1 4.4Å; F1162-F1165 HydrophobicContact CD2-CG 4.21Å; F1162-F1165 AromaticContact CE2-CD1 3.45Å; F1162-F1165 HydrophobicContact CE2-CD1 3.45Å; F1162-F1165 VanDerWaalsContact CE2-CD1 3.45Å; F1162-F1165 AromaticContact CE2-CE1 3.83Å; F1162-F1165 HydrophobicContact CE2-CE1 3.83Å; F1162-F1165 HydrophobicContact CE2-CG 4.45Å; F1162-F1165 WeakPolarHBondContact O-CB 3.17Å; F1162-F1165 PolarHBondContact O-N 3.2Å; F1162-K1166 HydrophobicContact CZ-CD 4.5Å; F1162-K1166 WeakPolarHBondContact O-CG 3.44Å; F1162-K1166 PolarHBondContact O-N 3.14Å; F1162-S1181 VanDerWaalsContact CZ-C 3.4Å; F1162-Y1182 HydrophobicContact CB-CD2 3.7Å; F1162-Y1182 HydrophobicContact CB-CE2 4.09Å; F1162-Y1182 AromaticContact CD1-CD2 3.99Å; F1162-Y1182 HydrophobicContact CD1-CD2 3.99Å; F1162-Y1182 HydrophobicContact CD1-CG 4.43Å; F1162-Y1182 AromaticContact CD2-CD2 3.74Å; F1162-Y1182 HydrophobicContact CD2-CD2 3.74Å; F1162-Y1182 HydrophobicContact CE2-CD2 4.3Å; F1162-Y1182 AromaticContact CG-CD2 3.57Å; F1162-Y1182 HydrophobicContact CG-CD2 3.57Å; F1162-Y1182 HydrophobicContact CG-CE2 4.39Å; F1162-Y1182 HydrophobicContact CG-CG 4.43Å; F1162-Y1182 VanDerWaalsContact CZ-CA 3.45Å; F1162-Y1182 VanDerWaalsContact CZ-N 3.31Å; F1162-A1185 HydrophobicContact CE2-CB 3.82Å; F1162-A1185 HydrophobicContact CZ-CB 4.24Å; F1162-F1221 AromaticContact CD1-CE2 3.9Å; F1162-F1221 HydrophobicContact CD1-CE2 3.9Å; F1162-L1223 HydrophobicContact CB-CD1 4.11Å; F1162-L1223 HydrophobicContact CD1-CD1 3.39Å; F1162-L1223 HydrophobicContact CD1-CD2 4.45Å; F1162-L1223 HydrophobicContact CD1-CG 3.63Å; F1162-L1223 HydrophobicContact CE1-CD1 4Å; F1162-L1223 HydrophobicContact CE1-CG 4.12Å; F1162-L1223 HydrophobicContact CG-CD1 3.85Å
1163	L	96.8	Very high	95.9	Very high	50 Å²	50	44.4 Å²	44.4	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-41.7	169.7	-79	160.6	0	0	0	111.2	K1159 N1160 K1166 K1167 L1223	K1159-L1163 WeakPolarHBondContact O-CG 3.46Å; K1159-L1163 PolarHBondContact O-N 2.93Å; N1160-L1163 PolarHBondContact O-N 3.36Å; L1163-K1166 PolarHBondContact O-N 3.24Å; L1163-K1167 WeakPolarHBondContact O-CG 3.5Å; L1163-K1167 PolarHBondContact O-N 2.98Å; L1163-L1223 HydrophobicContact CB-CD1 4.42Å; L1163-L1223 HydrophobicContact CD1-CD2 4.29Å; L1163-L1223 HydrophobicContact CD2-CD1 3.79Å; L1163-L1223 HydrophobicContact CD2-CD2 4.09Å; L1163-L1223 HydrophobicContact CD2-CG 4.38Å; L1163-L1223 HydrophobicContact CG-CD1 3.75Å; L1163-L1223 HydrophobicContact CG-CD2 3.81Å; L1163-L1223 HydrophobicContact CG-CG 4.39Å
1164	L	97.3	Very high	95.9	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-61.9	-42.3	171.9	-66.8	174.2	0	0	0	112	R921 Y924 N1160 I1161 K1167 L1168	R921-L1164 HydrophobicContact CB-CD1 4.31Å; R921-L1164 HydrophobicContact CG-CD1 3.85Å; Y924-L1164 HydrophobicContact CD1-CB 4.14Å; Y924-L1164 HydrophobicContact CD2-CB 3.89Å; Y924-L1164 HydrophobicContact CD2-CD1 4.13Å; Y924-L1164 HydrophobicContact CE2-CB 4.33Å; Y924-L1164 HydrophobicContact CG-CB 3.83Å; Y924-L1164 HydrophobicContact CG-CD1 4.41Å; N1160-L1164 PolarHBondContact O-N 2.93Å; N1160-L1164 VanDerWaalsContact O-N 3.07Å; I1161-L1164 PolarHBondContact O-N 3.37Å; L1164-K1167 PolarHBondContact O-N 3.16Å; L1164-L1168 WeakPolarHBondContact O-CB 3.41Å; L1164-L1168 PolarHBondContact O-N 3.11Å
1165	F	97.9	Very high	95.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-47	173.4	174.6	-100.3	0	0	0	112.7	Y924 L1052 H1055 F1056 I1161 F1162 L1168 C1169 L1177 A1185	Y924-F1165 HydrophobicContact CE1-CB 4.19Å; L1052-F1165 HydrophobicContact CB-CD2 3.78Å; L1052-F1165 HydrophobicContact CB-CE2 4.08Å; L1052-F1165 HydrophobicContact CB-CG 4.32Å; L1052-F1165 HydrophobicContact CD1-CB 4.29Å; L1052-F1165 HydrophobicContact CD1-CG 4.3Å; L1052-F1165 HydrophobicContact CD2-CD1 4.25Å; L1052-F1165 HydrophobicContact CD2-CD2 4.18Å; L1052-F1165 HydrophobicContact CD2-CE1 4.12Å; L1052-F1165 HydrophobicContact CD2-CE2 4.05Å; L1052-F1165 HydrophobicContact CD2-CG 4.26Å; L1052-F1165 HydrophobicContact CD2-CZ 3.99Å; L1052-F1165 HydrophobicContact CG-CD2 4.39Å; L1052-F1165 WeakPolarHBondContact O-CD2 3.48Å; L1052-F1165 WeakPolarHBondContact O-CE2 3.36Å; H1055-F1165 AromaticContact CD2-CE2 3.91Å; F1056-F1165 HydrophobicContact CE2-CD2 4.32Å; F1056-F1165 AromaticContact CE2-CE2 3.98Å; F1056-F1165 HydrophobicContact CE2-CE2 3.98Å; I1161-F1165 PolarHBondContact O-N 2.82Å; F1162-F1165 HydrophobicContact CD2-CB 4.13Å; F1162-F1165 AromaticContact CD2-CD1 3.6Å; F1162-F1165 HydrophobicContact CD2-CD1 3.6Å; F1162-F1165 HydrophobicContact CD2-CE1 4.4Å; F1162-F1165 HydrophobicContact CD2-CG 4.21Å; F1162-F1165 AromaticContact CE2-CD1 3.45Å; F1162-F1165 HydrophobicContact CE2-CD1 3.45Å; F1162-F1165 VanDerWaalsContact CE2-CD1 3.45Å; F1162-F1165 AromaticContact CE2-CE1 3.83Å; F1162-F1165 HydrophobicContact CE2-CE1 3.83Å; F1162-F1165 HydrophobicContact CE2-CG 4.45Å; F1162-F1165 WeakPolarHBondContact O-CB 3.17Å; F1162-F1165 PolarHBondContact O-N 3.2Å; F1165-L1168 PolarHBondContact O-N 2.83Å; F1165-C1169 VanDerWaalsContact CZ-SG 3.56Å; F1165-C1169 PolarHBondContact O-N 2.95Å; F1165-C1169 PolarHBondContact O-SG 2.95Å; F1165-L1177 HydrophobicContact CE1-CB 4.23Å; F1165-L1177 HydrophobicContact CE2-CD1 4.24Å; F1165-L1177 HydrophobicContact CZ-CB 3.95Å; F1165-L1177 HydrophobicContact CZ-CD1 3.88Å; F1165-L1177 HydrophobicContact CZ-CD2 4.47Å; F1165-L1177 HydrophobicContact CZ-CG 4.31Å; F1165-A1185 HydrophobicContact CE1-CB 3.73Å; F1165-A1185 HydrophobicContact CZ-CB 4.07Å
1166	K	96.4	Very high	95.6	Very high	29 Å²	29	55.9 Å²	55.9	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-42.4	177.4	-68.8	-66	179.2	174.9	0	112.1	F1162 L1163 L1168 C1169 S1170 L1177 L1178 L1180 L1223	F1162-K1166 HydrophobicContact CZ-CD 4.5Å; F1162-K1166 WeakPolarHBondContact O-CG 3.44Å; F1162-K1166 PolarHBondContact O-N 3.14Å; L1163-K1166 PolarHBondContact O-N 3.24Å; K1166-L1168 VanDerWaalsContact C-N 3.33Å; K1166-L1168 PolarHBondContact O-N 3.17Å; K1166-C1169 PolarHBondContact O-N 2.65Å; K1166-S1170 PolarHBondContact O-N 2.94Å; K1166-L1177 PolarHBondContact NZ-O 2.89Å; K1166-L1178 HydrophobicContact CB-CD2 4.33Å; K1166-L1178 HydrophobicContact CD-CD2 4.03Å; K1166-L1178 PolarHBondContact NZ-O 3.3Å; K1166-L1178 WeakPolarHBondContact O-CD2 3.41Å; K1166-L1180 PolarHBondContact NZ-O 2.7Å; K1166-L1223 HydrophobicContact CG-CD1 3.81Å
1167	K	96.3	Very high	95.5	Very high	134 Å²	134	56 Å²	56	58%	0.583	25%	0.25	S	C	*	.	H	α-helix	trans	-57.5	-45.7	173.2	-72.5	-178.5	177.9	-169.6	0	111.1	M928 L1163 L1164 S1170 F1171	M928-K1167 VanDerWaalsContact CE-C 3.45Å; M928-K1167 HydrophobicContact CE-CB 3.62Å; L1163-K1167 WeakPolarHBondContact O-CG 3.5Å; L1163-K1167 PolarHBondContact O-N 2.98Å; L1164-K1167 PolarHBondContact O-N 3.16Å; K1167-S1170 WeakPolarHBondContact O-CB 3.24Å; K1167-S1170 PolarHBondContact O-N 2.85Å; K1167-F1171 WeakPolarHBondContact O-CB 3.44Å; K1167-F1171 PolarHBondContact O-N 3Å
1168	L	96.1	Very high	95.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-40.9	177.1	-178.8	66.9	0	0	0	112.2	Y924 L927 M928 L1053 F1056 L1164 F1165 K1166 S1170 F1171 R1172	Y924-L1168 HydrophobicContact CD1-CB 4.2Å; Y924-L1168 HydrophobicContact CD1-CD2 3.87Å; Y924-L1168 HydrophobicContact CE1-CB 4.29Å; Y924-L1168 HydrophobicContact CE1-CD2 3.81Å; L927-L1168 HydrophobicContact CB-CD1 3.92Å; L927-L1168 HydrophobicContact CB-CD2 4.23Å; L927-L1168 HydrophobicContact CD1-CD2 3.76Å; M928-L1168 HydrophobicContact CE-CB 4.09Å; M928-L1168 VanDerWaalsContact CE-N 3.34Å; M928-L1168 HydrophobicContact CG-CD1 4.41Å; M928-L1168 HydrophobicContact SD-CD1 3.93Å; L1053-L1168 HydrophobicContact CD2-CD2 4.44Å; F1056-L1168 HydrophobicContact CD1-CD2 4.43Å; F1056-L1168 HydrophobicContact CD2-CD2 3.64Å; F1056-L1168 HydrophobicContact CD2-CG 4.46Å; F1056-L1168 HydrophobicContact CE1-CG 4.43Å; F1056-L1168 HydrophobicContact CE2-CD2 3.75Å; F1056-L1168 HydrophobicContact CE2-CG 4.18Å; F1056-L1168 HydrophobicContact CG-CD2 4Å; F1056-L1168 HydrophobicContact CZ-CD2 4.2Å; F1056-L1168 HydrophobicContact CZ-CG 4.16Å; L1164-L1168 WeakPolarHBondContact O-CB 3.41Å; L1164-L1168 PolarHBondContact O-N 3.11Å; F1165-L1168 PolarHBondContact O-N 2.83Å; K1166-L1168 VanDerWaalsContact C-N 3.33Å; K1166-L1168 PolarHBondContact O-N 3.17Å; L1168-S1170 VanDerWaalsContact C-N 3.28Å; L1168-S1170 PolarHBondContact O-N 3.12Å; L1168-F1171 HydrophobicContact CD1-CD1 4.39Å; L1168-F1171 PolarHBondContact O-N 2.85Å; L1168-R1172 HydrophobicContact CD1-CG 3.88Å; L1168-R1172 HydrophobicContact CG-CG 4.36Å; L1168-R1172 WeakPolarHBondContact O-CB 3.25Å; L1168-R1172 WeakPolarHBondContact O-CG 3.46Å; L1168-R1172 PolarHBondContact O-N 2.94Å
1169	C	96	Very high	94.9	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-37.3	176	-64.3	0	0	0	0	111.8	F1165 K1166 R1172 Y1173 R1174 L1177 L1178	F1165-C1169 VanDerWaalsContact CZ-SG 3.56Å; F1165-C1169 PolarHBondContact O-N 2.95Å; F1165-C1169 PolarHBondContact O-SG 2.95Å; K1166-C1169 PolarHBondContact O-N 2.65Å; C1169-R1172 CarbonylContact O-C 3.53Å; C1169-Y1173 CarbonylContact O-C 3.46Å; C1169-Y1173 PolarHBondContact O-N 3.38Å; C1169-Y1173 VanDerWaalsContact O-N 3.09Å; C1169-R1174 HydrophobicContact CB-CB 4.16Å; C1169-R1174 PolarHBondContact O-N 3.11Å; C1169-L1177 HydrophobicContact CB-CB 4.24Å; C1169-L1177 VanDerWaalsContact SG-CB 3.54Å; C1169-L1178 HydrophobicContact CB-CD2 3.82Å; C1169-L1178 HydrophobicContact CB-CG 3.96Å
1170	S	94.7	Very high	94.8	Very high	70 Å²	70	68.4 Å²	68.4	49%	0.49	30%	0.302	S	S	.	.	H	α-helix	trans	-65.9	-51.2	173	-164.5	0	0	0	0	111.6	K1166 K1167 L1168 R1172 Y1173	K1166-S1170 PolarHBondContact O-N 2.94Å; K1167-S1170 WeakPolarHBondContact O-CB 3.24Å; K1167-S1170 PolarHBondContact O-N 2.85Å; L1168-S1170 VanDerWaalsContact C-N 3.28Å; L1168-S1170 PolarHBondContact O-N 3.12Å; S1170-R1172 PolarHBondContact O-N 2.84Å; S1170-Y1173 PolarHBondContact O-N 3.26Å
1171	F	93.3	Very high	94.8	Very high	97 Å²	97	66.7 Å²	66.7	43%	0.425	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-29	178.3	-178	-107.1	0	0	0	113.9	M928 K1167 L1168	M928-F1171 HydrophobicContact CE-CB 4.43Å; M928-F1171 WeakPolarHBondContact O-CE1 3.23Å; M928-F1171 VanDerWaalsContact O-CZ 3.23Å; M928-F1171 WeakPolarHBondContact O-CZ 3.49Å; M928-F1171 HydrophobicContact SD-CB 3.73Å; M928-F1171 HydrophobicContact SD-CD1 3.61Å; M928-F1171 HydrophobicContact SD-CD2 4.4Å; M928-F1171 HydrophobicContact SD-CE1 4.32Å; M928-F1171 HydrophobicContact SD-CG 3.66Å; K1167-F1171 WeakPolarHBondContact O-CB 3.44Å; K1167-F1171 PolarHBondContact O-N 3Å; L1168-F1171 HydrophobicContact CD1-CD1 4.39Å; L1168-F1171 PolarHBondContact O-N 2.85Å
1172	R	91.4	Very high	94.7	Very high	75 Å²	75	66.9 Å²	66.9	28%	0.283	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	17.6	176.1	-59.1	-57.6	-166.7	121.6	5.9	113.6	L927 Y930 F1056 L1168 C1169 S1170 R1174	L927-R1172 PolarHBondContact O-NH2 3.23Å; Y930-R1172 PolarHBondContact O-NH2 3.48Å; F1056-R1172 HydrophobicContact CD1-CG 4.45Å; F1056-R1172 HydrophobicContact CE1-CB 3.84Å; F1056-R1172 HydrophobicContact CE1-CG 4.09Å; L1168-R1172 HydrophobicContact CD1-CG 3.88Å; L1168-R1172 HydrophobicContact CG-CG 4.36Å; L1168-R1172 WeakPolarHBondContact O-CB 3.25Å; L1168-R1172 WeakPolarHBondContact O-CG 3.46Å; L1168-R1172 PolarHBondContact O-N 2.94Å; C1169-R1172 CarbonylContact O-C 3.53Å; S1170-R1172 PolarHBondContact O-N 2.84Å; R1172-R1174 PolarHBondContact O-N 2.97Å
1173	Y	92.1	Very high	94.7	Very high	190 Å²	190	67.1 Å²	67.1	75%	0.745	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	17.3	175.9	-53.6	-81	0	0	0	116.7	C1169 S1170 R1175	C1169-Y1173 CarbonylContact O-C 3.46Å; C1169-Y1173 PolarHBondContact O-N 3.38Å; C1169-Y1173 VanDerWaalsContact O-N 3.09Å; S1170-Y1173 PolarHBondContact O-N 3.26Å; Y1173-R1175 VanDerWaalsContact C-N 3.25Å; Y1173-R1175 PolarHBondContact O-N 2.85Å
1174	R	93	Very high	94.7	Very high	78 Å²	78	68.4 Å²	68.4	29%	0.294	30%	0.301	S	S	.	.			trans	-74.7	70.2	177.6	-70.1	-64.9	-61.5	-92	1.2	112	H1055 F1056 C1169 R1172 D1176 L1177 L1178	H1055-R1174 PolarHBondContact O-NH1 3.12Å; F1056-R1174 HydrophobicContact CE1-CG 3.85Å; F1056-R1174 HydrophobicContact CZ-CB 4.47Å; F1056-R1174 HydrophobicContact CZ-CG 4.08Å; C1169-R1174 HydrophobicContact CB-CB 4.16Å; C1169-R1174 PolarHBondContact O-N 3.11Å; R1172-R1174 PolarHBondContact O-N 2.97Å; R1174-D1176 VanDerWaalsContact CA-OD1 3.29Å; R1174-D1176 WeakPolarHBondContact CA-OD1 3.44Å; R1174-D1176 WeakPolarHBondContact CB-OD1 3.43Å; R1174-D1176 IonicContact CZ-OD1 2.67Å; R1174-D1176 IonicContact CZ-OD2 2.96Å; R1174-D1176 IonicContact NE-OD1 3.4Å; R1174-D1176 PolarHBondContact NE-OD1 3.43Å; R1174-D1176 IonicContact NE-OD2 3.04Å; R1174-D1176 PolarHBondContact NE-OD2 2.76Å; R1174-D1176 IonicContact NH2-OD1 2.68Å; R1174-D1176 IonicContact NH2-OD2 2.67Å; R1174-D1176 PolarHBondContact NH2-OD2 2.75Å; R1174-D1176 PolarHBondContact O-N 3.44Å; R1174-L1177 HydrophobicContact CB-CB 4.34Å; R1174-L1177 HydrophobicContact CB-CD1 4.06Å; R1174-L1177 HydrophobicContact CB-CG 4.23Å; R1174-L1177 HydrophobicContact CG-CD1 4.35Å; R1174-L1177 PolarHBondContact O-N 2.69Å; R1174-L1177 VanDerWaalsContact O-N 3.17Å; R1174-L1178 PolarHBondContact O-N 3.48Å
1175	R	92	Very high	94.7	Very high	194 Å²	194	66.1 Å²	66.1	73%	0.732	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-28.4	178.8	-67.6	178.8	179.7	172.9	-0.5	113.2	Y1173 L1178	Y1173-R1175 VanDerWaalsContact C-N 3.25Å; Y1173-R1175 PolarHBondContact O-N 2.85Å; R1175-L1178 PolarHBondContact O-N 2.95Å
1176	D	93.6	Very high	94.7	Very high	84 Å²	84	68.8 Å²	68.8	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-47.8	172.2	62.1	-48.2	0	0	0	111.9	R1174 L1178	R1174-D1176 VanDerWaalsContact CA-OD1 3.29Å; R1174-D1176 WeakPolarHBondContact CA-OD1 3.44Å; R1174-D1176 WeakPolarHBondContact CB-OD1 3.43Å; R1174-D1176 IonicContact CZ-OD1 2.67Å; R1174-D1176 IonicContact CZ-OD2 2.96Å; R1174-D1176 IonicContact NE-OD1 3.4Å; R1174-D1176 PolarHBondContact NE-OD1 3.43Å; R1174-D1176 IonicContact NE-OD2 3.04Å; R1174-D1176 PolarHBondContact NE-OD2 2.76Å; R1174-D1176 IonicContact NH2-OD1 2.68Å; R1174-D1176 IonicContact NH2-OD2 2.67Å; R1174-D1176 PolarHBondContact NH2-OD2 2.75Å; R1174-D1176 PolarHBondContact O-N 3.44Å; D1176-L1178 VanDerWaalsContact C-N 3.34Å; D1176-L1178 PolarHBondContact O-N 2.84Å
1177	L	94.6	Very high	94.7	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-76.5	-20.7	-179.8	-58.5	-179.6	0	0	0	113	H1055 F1056 F1165 K1166 C1169 R1174 R1179 L1180	H1055-L1177 HydrophobicContact CB-CD1 3.85Å; F1056-L1177 HydrophobicContact CE2-CD1 4.26Å; F1056-L1177 HydrophobicContact CZ-CD1 4.1Å; F1165-L1177 HydrophobicContact CE1-CB 4.23Å; F1165-L1177 HydrophobicContact CE2-CD1 4.24Å; F1165-L1177 HydrophobicContact CZ-CB 3.95Å; F1165-L1177 HydrophobicContact CZ-CD1 3.88Å; F1165-L1177 HydrophobicContact CZ-CD2 4.47Å; F1165-L1177 HydrophobicContact CZ-CG 4.31Å; K1166-L1177 PolarHBondContact NZ-O 2.89Å; C1169-L1177 HydrophobicContact CB-CB 4.24Å; C1169-L1177 VanDerWaalsContact SG-CB 3.54Å; R1174-L1177 HydrophobicContact CB-CB 4.34Å; R1174-L1177 HydrophobicContact CB-CD1 4.06Å; R1174-L1177 HydrophobicContact CB-CG 4.23Å; R1174-L1177 HydrophobicContact CG-CD1 4.35Å; R1174-L1177 PolarHBondContact O-N 2.69Å; R1174-L1177 VanDerWaalsContact O-N 3.17Å; L1177-R1179 PolarHBondContact O-N 2.92Å; L1177-L1180 HydrophobicContact CD2-CD1 4.17Å
1178	L	92.9	Very high	94.7	Very high	60 Å²	60	69.2 Å²	69.2	31%	0.314	31%	0.31	S	S	.	.	H	α-helix	trans	-68.1	-28.4	-178.2	-79.8	177.2	0	0	0	114	K1166 C1169 R1174 R1175 D1176	K1166-L1178 HydrophobicContact CB-CD2 4.33Å; K1166-L1178 HydrophobicContact CD-CD2 4.03Å; K1166-L1178 PolarHBondContact NZ-O 3.3Å; K1166-L1178 WeakPolarHBondContact O-CD2 3.41Å; C1169-L1178 HydrophobicContact CB-CD2 3.82Å; C1169-L1178 HydrophobicContact CB-CG 3.96Å; R1174-L1178 PolarHBondContact O-N 3.48Å; R1175-L1178 PolarHBondContact O-N 2.95Å; D1176-L1178 VanDerWaalsContact C-N 3.34Å; D1176-L1178 PolarHBondContact O-N 2.84Å
1179	R	89.6	Confident	94.8	Very high	223 Å²	223	69.4 Å²	69.4	84%	0.842	31%	0.311	S	S	*	.	H	α-helix	trans	-86.8	-22	-178.1	-67.1	-179.2	175	171.9	-1.9	115.1	L1177	L1177-R1179 PolarHBondContact O-N 2.92Å
1180	L	95.1	Very high	94.8	Very high	46 Å²	46	78.7 Å²	78.7	24%	0.241	35%	0.346	C	S	.	.	S	Bend	trans	-70.4	149.3	-173.3	-55.8	-179.6	0	0	0	114.1	K1166 L1177 E1184 A1185 A1188	K1166-L1180 PolarHBondContact NZ-O 2.7Å; L1177-L1180 HydrophobicContact CD2-CD1 4.17Å; L1180-E1184 HydrophobicContact CB-CB 3.92Å; L1180-E1184 HydrophobicContact CD2-CB 4.21Å; L1180-E1184 HydrophobicContact CG-CB 4.46Å; L1180-A1185 HydrophobicContact CB-CB 4.1Å; L1180-A1185 HydrophobicContact CD1-CB 4.44Å; L1180-A1188 HydrophobicContact CD1-CB 3.94Å
1181	S	95.4	Very high	94.8	Very high	5 Å²	5	78.8 Å²	78.8	4%	0.035	34%	0.341	C	S	.	.			trans	-66.6	172.4	164.4	66	0	0	0	0	112.4	F1162 G1183 E1184 A1185 F1221	F1162-S1181 VanDerWaalsContact CZ-C 3.4Å; S1181-G1183 VanDerWaalsContact C-N 3.28Å; S1181-G1183 PolarHBondContact O-N 3.21Å; S1181-E1184 WeakPolarHBondContact CB-OE2 3.38Å; S1181-E1184 PolarHBondContact N-OE2 2.83Å; S1181-E1184 PolarHBondContact O-N 2.89Å; S1181-E1184 WeakPolarHBondContact OG-CB 3.47Å; S1181-E1184 VanDerWaalsContact OG-CD 3.23Å; S1181-E1184 VanDerWaalsContact OG-CG 3.28Å; S1181-E1184 WeakPolarHBondContact OG-CG 3.13Å; S1181-E1184 PolarHBondContact OG-N 2.98Å; S1181-E1184 PolarHBondContact OG-OE2 2.72Å; S1181-A1185 VanDerWaalsContact O-CB 3.23Å; S1181-A1185 WeakPolarHBondContact O-CB 3.35Å; S1181-A1185 PolarHBondContact O-N 3.09Å; S1181-F1221 WeakPolarHBondContact CB-O 3.27Å
1182	Y	97.3	Very high	95	Very high	17 Å²	17	74.9 Å²	74.9	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-36.1	175.4	-178.6	-106.5	0	0	0	112.8	L1052 K1158 F1162 K1186 K1219 F1221	L1052-Y1182 HydrophobicContact CD1-CD2 4.12Å; L1052-Y1182 HydrophobicContact CD1-CE2 3.75Å; K1158-Y1182 HydrophobicContact CB-CE1 4.31Å; K1158-Y1182 HydrophobicContact CB-CE2 4.29Å; K1158-Y1182 HydrophobicContact CD-CE1 3.98Å; F1162-Y1182 HydrophobicContact CB-CD2 3.7Å; F1162-Y1182 HydrophobicContact CB-CE2 4.09Å; F1162-Y1182 AromaticContact CD1-CD2 3.99Å; F1162-Y1182 HydrophobicContact CD1-CD2 3.99Å; F1162-Y1182 HydrophobicContact CD1-CG 4.43Å; F1162-Y1182 AromaticContact CD2-CD2 3.74Å; F1162-Y1182 HydrophobicContact CD2-CD2 3.74Å; F1162-Y1182 HydrophobicContact CE2-CD2 4.3Å; F1162-Y1182 AromaticContact CG-CD2 3.57Å; F1162-Y1182 HydrophobicContact CG-CD2 3.57Å; F1162-Y1182 HydrophobicContact CG-CE2 4.39Å; F1162-Y1182 HydrophobicContact CG-CG 4.43Å; F1162-Y1182 VanDerWaalsContact CZ-CA 3.45Å; F1162-Y1182 VanDerWaalsContact CZ-N 3.31Å; Y1182-K1186 HydrophobicContact CE1-CD 4.29Å; Y1182-K1186 VanDerWaalsContact CE1-NZ 3.3Å; Y1182-K1186 WeakPolarHBondContact O-CG 3.47Å; Y1182-K1186 PolarHBondContact O-N 2.86Å; Y1182-K1186 WeakPolarHBondContact OH-CE 3.4Å; Y1182-K1186 PolarHBondContact OH-NZ 3.36Å; Y1182-K1219 HydrophobicContact CD1-CB 4.2Å; Y1182-F1221 HydrophobicContact CD1-CD1 4.28Å; Y1182-F1221 AromaticContact CD1-CE1 3.43Å; Y1182-F1221 HydrophobicContact CD1-CE1 3.43Å; Y1182-F1221 VanDerWaalsContact CD1-CE1 3.43Å; Y1182-F1221 AromaticContact CD1-CZ 3.79Å; Y1182-F1221 HydrophobicContact CD1-CZ 3.79Å; Y1182-F1221 HydrophobicContact CD2-CE1 4.28Å; Y1182-F1221 HydrophobicContact CD2-CE2 4.49Å; Y1182-F1221 AromaticContact CD2-CZ 3.77Å; Y1182-F1221 HydrophobicContact CD2-CZ 3.77Å; Y1182-F1221 HydrophobicContact CE1-CE1 4.06Å; Y1182-F1221 HydrophobicContact CE1-CZ 4.35Å; Y1182-F1221 HydrophobicContact CE2-CZ 4.31Å; Y1182-F1221 HydrophobicContact CG-CD1 4.37Å; Y1182-F1221 AromaticContact CG-CE1 3.54Å; Y1182-F1221 HydrophobicContact CG-CE1 3.54Å; Y1182-F1221 HydrophobicContact CG-CE2 4.23Å; Y1182-F1221 AromaticContact CG-CZ 3.44Å; Y1182-F1221 HydrophobicContact CG-CZ 3.44Å; Y1182-F1221 VanDerWaalsContact CG-CZ 3.44Å; Y1182-F1221 PolarHBondContact N-O 3.05Å
1183	G	96.5	Very high	95.3	Very high	5 Å²	5	72.8 Å²	72.8	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-70.3	-46.5	176.7	0	0	0	0	0	112	S1181 K1186 K1187 K1219	S1181-G1183 VanDerWaalsContact C-N 3.28Å; S1181-G1183 PolarHBondContact O-N 3.21Å; G1183-K1186 PolarHBondContact O-N 2.73Å; G1183-K1187 WeakPolarHBondContact O-CG 3.34Å; G1183-K1187 PolarHBondContact O-N 3.23Å; G1183-K1219 WeakPolarHBondContact CA-O 3.3Å; G1183-K1219 PolarHBondContact N-O 3.39Å
1184	E	97	Very high	95.5	Very high	78 Å²	78	67 Å²	67	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-68.6	-42.9	-179.9	-68.1	159.7	136.1	0	0	112.1	L1180 S1181 K1186 K1187 A1188 Y1222	L1180-E1184 HydrophobicContact CB-CB 3.92Å; L1180-E1184 HydrophobicContact CD2-CB 4.21Å; L1180-E1184 HydrophobicContact CG-CB 4.46Å; S1181-E1184 WeakPolarHBondContact CB-OE2 3.38Å; S1181-E1184 PolarHBondContact N-OE2 2.83Å; S1181-E1184 PolarHBondContact O-N 2.89Å; S1181-E1184 WeakPolarHBondContact OG-CB 3.47Å; S1181-E1184 VanDerWaalsContact OG-CD 3.23Å; S1181-E1184 VanDerWaalsContact OG-CG 3.28Å; S1181-E1184 WeakPolarHBondContact OG-CG 3.13Å; S1181-E1184 PolarHBondContact OG-N 2.98Å; S1181-E1184 PolarHBondContact OG-OE2 2.72Å; E1184-K1186 PolarHBondContact O-N 2.87Å; E1184-K1187 PolarHBondContact O-N 2.67Å; E1184-A1188 WeakPolarHBondContact O-CB 3.44Å; E1184-A1188 PolarHBondContact O-N 2.82Å; E1184-Y1222 PolarHBondContact OE2-OH 3.44Å
1185	A	97.4	Very high	95.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-28.2	175.8	0	0	0	0	0	112.6	L1052 H1055 F1162 F1165 L1180 S1181	L1052-A1185 HydrophobicContact CD2-CB 3.71Å; H1055-A1185 PolarHBondContact NE2-O 2.93Å; F1162-A1185 HydrophobicContact CE2-CB 3.82Å; F1162-A1185 HydrophobicContact CZ-CB 4.24Å; F1165-A1185 HydrophobicContact CE1-CB 3.73Å; F1165-A1185 HydrophobicContact CZ-CB 4.07Å; L1180-A1185 HydrophobicContact CB-CB 4.1Å; L1180-A1185 HydrophobicContact CD1-CB 4.44Å; S1181-A1185 VanDerWaalsContact O-CB 3.23Å; S1181-A1185 WeakPolarHBondContact O-CB 3.35Å; S1181-A1185 PolarHBondContact O-N 3.09Å
1186	K	97.9	Very high	96.1	Very high	56 Å²	56	56.1 Å²	56.1	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-77.7	-46.3	169.9	-72.7	-174.5	175.9	-179	0	112.9	A1051 L1052 Y1182 G1183 E1184 A1188 A1189 E1193	A1051-K1186 HydrophobicContact CB-CB 4.1Å; A1051-K1186 HydrophobicContact CB-CD 4.5Å; A1051-K1186 HydrophobicContact CB-CG 3.94Å; L1052-K1186 HydrophobicContact CD2-CG 3.8Å; L1052-K1186 HydrophobicContact CG-CG 3.99Å; Y1182-K1186 HydrophobicContact CE1-CD 4.29Å; Y1182-K1186 VanDerWaalsContact CE1-NZ 3.3Å; Y1182-K1186 WeakPolarHBondContact O-CG 3.47Å; Y1182-K1186 PolarHBondContact O-N 2.86Å; Y1182-K1186 WeakPolarHBondContact OH-CE 3.4Å; Y1182-K1186 PolarHBondContact OH-NZ 3.36Å; G1183-K1186 PolarHBondContact O-N 2.73Å; E1184-K1186 PolarHBondContact O-N 2.87Å; K1186-A1188 PolarHBondContact O-N 2.73Å; K1186-A1189 WeakPolarHBondContact O-CB 3.29Å; K1186-A1189 PolarHBondContact O-N 2.97Å; K1186-E1193 VanDerWaalsContact O-CG 3.31Å; K1186-E1193 WeakPolarHBondContact O-CG 3.41Å
1187	K	96.8	Very high	96.2	Very high	133 Å²	133	56.5 Å²	56.5	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-57.5	-32	175.8	-74.7	-178.7	176.5	-174.8	0	112.4	G1183 E1184 A1189	G1183-K1187 WeakPolarHBondContact O-CG 3.34Å; G1183-K1187 PolarHBondContact O-N 3.23Å; E1184-K1187 PolarHBondContact O-N 2.67Å; K1187-A1189 VanDerWaalsContact C-N 3.26Å; K1187-A1189 PolarHBondContact O-N 3.04Å
1188	A	97.2	Very high	96.4	Very high	40 Å²	40	59.9 Å²	59.9	33%	0.331	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.1	177.7	0	0	0	0	0	113.9	H1055 L1180 E1184 K1186 R1190	H1055-A1188 VanDerWaalsContact CE1-C 3.49Å; L1180-A1188 HydrophobicContact CD1-CB 3.94Å; E1184-A1188 WeakPolarHBondContact O-CB 3.44Å; E1184-A1188 PolarHBondContact O-N 2.82Å; K1186-A1188 PolarHBondContact O-N 2.73Å; A1188-R1190 PolarHBondContact O-N 2.97Å
1189	A	96.7	Very high	96.6	Very high	4 Å²	4	57 Å²	57	3%	0.033	26%	0.263	C	S	.	.			trans	-79	67.3	174.3	0	0	0	0	0	110.1	A1051 H1055 K1186 K1187 D1191 Y1192 E1193	A1051-A1189 HydrophobicContact CB-CB 4.23Å; A1051-A1189 WeakPolarHBondContact O-CB 3.44Å; H1055-A1189 PolarHBondContact CE1-N 3.21Å; K1186-A1189 WeakPolarHBondContact O-CB 3.29Å; K1186-A1189 PolarHBondContact O-N 2.97Å; K1187-A1189 VanDerWaalsContact C-N 3.26Å; K1187-A1189 PolarHBondContact O-N 3.04Å; A1189-D1191 VanDerWaalsContact C-N 3.33Å; A1189-D1191 PolarHBondContact O-N 3.08Å; A1189-Y1192 WeakPolarHBondContact O-CB 3.4Å; A1189-Y1192 PolarHBondContact O-N 2.91Å; A1189-E1193 WeakPolarHBondContact O-CG 3.21Å; A1189-E1193 PolarHBondContact O-N 3.49Å
1190	R	95.8	Very high	96.9	Very high	196 Å²	196	49.3 Å²	49.3	74%	0.74	24%	0.235	S	C	*	.	H	α-helix	trans	-49.6	-48.8	-167.9	-66.5	-176.3	179.4	-173.6	-0.2	112.7	A1188 Y1192 E1193 T1194	A1188-R1190 PolarHBondContact O-N 2.97Å; R1190-Y1192 PolarHBondContact O-N 2.73Å; R1190-E1193 PolarHBondContact O-N 2.9Å; R1190-E1193 VanDerWaalsContact O-N 3.13Å; R1190-T1194 PolarHBondContact O-N 3.25Å; R1190-T1194 PolarHBondContact O-OG1 3.41Å
1191	D	94.9	Very high	97	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	25%	0.25	S	C	.	.	H	α-helix	trans	-56	-48.5	180	-31.7	-30.1	0	0	0	111.6	K948 F1099 A1189 E1193 T1194 A1195	K948-D1191 IonicContact NZ-OD2 3.67Å; K948-D1191 PolarHBondContact NZ-OD2 3.14Å; F1099-D1191 HydrophobicContact CE2-CB 3.95Å; A1189-D1191 VanDerWaalsContact C-N 3.33Å; A1189-D1191 PolarHBondContact O-N 3.08Å; D1191-E1193 PolarHBondContact O-N 3.2Å; D1191-T1194 PolarHBondContact O-N 3Å; D1191-A1195 WeakPolarHBondContact O-CB 3.47Å; D1191-A1195 PolarHBondContact O-N 3.34Å
1192	Y	97.7	Very high	96.9	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-39	178.2	-175.6	-84.3	0	0	0	111.9	R1042 L1046 A1051 F1099 A1189 R1190 K1196	R1042-Y1192 PolarHBondContact NH2-OH 3.37Å; L1046-Y1192 HydrophobicContact CB-CD2 4.39Å; L1046-Y1192 HydrophobicContact CB-CE2 3.62Å; L1046-Y1192 WeakPolarHBondContact O-CE2 3.36Å; A1051-Y1192 HydrophobicContact CB-CD1 3.5Å; A1051-Y1192 VanDerWaalsContact CB-CD1 3.5Å; A1051-Y1192 HydrophobicContact CB-CE1 3.83Å; A1051-Y1192 HydrophobicContact CB-CG 3.99Å; F1099-Y1192 HydrophobicContact CE1-CD2 4.15Å; F1099-Y1192 HydrophobicContact CZ-CD2 4.22Å; A1189-Y1192 WeakPolarHBondContact O-CB 3.4Å; A1189-Y1192 PolarHBondContact O-N 2.91Å; R1190-Y1192 PolarHBondContact O-N 2.73Å; Y1192-K1196 HydrophobicContact CE1-CB 4.37Å; Y1192-K1196 HydrophobicContact CE1-CD 4.49Å; Y1192-K1196 WeakPolarHBondContact O-CB 3.26Å; Y1192-K1196 PolarHBondContact O-N 3.09Å
1193	E	97.3	Very high	96.8	Very high	32 Å²	32	52.5 Å²	52.5	15%	0.15	25%	0.249	C	C	.	.	H	α-helix	trans	-71.4	-38.6	-179.1	-66.9	-75.9	100.5	0	0	111.5	K1186 A1189 R1190 D1191 K1196 N1197	K1186-E1193 VanDerWaalsContact O-CG 3.31Å; K1186-E1193 WeakPolarHBondContact O-CG 3.41Å; A1189-E1193 WeakPolarHBondContact O-CG 3.21Å; A1189-E1193 PolarHBondContact O-N 3.49Å; R1190-E1193 PolarHBondContact O-N 2.9Å; R1190-E1193 VanDerWaalsContact O-N 3.13Å; D1191-E1193 PolarHBondContact O-N 3.2Å; E1193-K1196 WeakPolarHBondContact OE1-CE 3.29Å; E1193-K1196 IonicContact OE1-NZ 2.72Å; E1193-K1196 PolarHBondContact OE1-NZ 2.97Å; E1193-K1196 IonicContact OE2-NZ 3.22Å; E1193-K1196 PolarHBondContact OE2-NZ 3.46Å; E1193-N1197 WeakPolarHBondContact O-CB 3.47Å; E1193-N1197 PolarHBondContact O-N 3.23Å; E1193-N1197 PolarHBondContact O-ND2 3.41Å; E1193-N1197 PolarHBondContact O-OD1 2.98Å
1194	T	97.7	Very high	96.7	Very high	67 Å²	67	58.2 Å²	58.2	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-54.5	171.5	-66.2	0	0	0	0	111.1	R1190 D1191 K1196 N1197 Y1198	R1190-T1194 PolarHBondContact O-N 3.25Å; R1190-T1194 PolarHBondContact O-OG1 3.41Å; D1191-T1194 PolarHBondContact O-N 3Å; T1194-K1196 VanDerWaalsContact C-N 3.28Å; T1194-K1196 PolarHBondContact O-N 3.42Å; T1194-N1197 PolarHBondContact O-N 3.15Å; T1194-Y1198 PolarHBondContact O-N 3.26Å
1195	A	98.1	Very high	96.4	Very high	5 Å²	5	58.9 Å²	58.9	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-38	177.9	0	0	0	0	0	112	L1046 F1099 D1191 N1197 F1199	L1046-A1195 VanDerWaalsContact CD2-C 3.46Å; L1046-A1195 HydrophobicContact CD2-CB 3.64Å; F1099-A1195 HydrophobicContact CB-CB 4.36Å; F1099-A1195 HydrophobicContact CD1-CB 4.3Å; F1099-A1195 HydrophobicContact CD2-CB 3.54Å; F1099-A1195 HydrophobicContact CE2-CB 3.82Å; F1099-A1195 HydrophobicContact CG-CB 3.8Å; F1099-A1195 HydrophobicContact CZ-CB 4.31Å; D1191-A1195 WeakPolarHBondContact O-CB 3.47Å; D1191-A1195 PolarHBondContact O-N 3.34Å; A1195-N1197 PolarHBondContact O-N 3.09Å; A1195-F1199 VanDerWaalsContact O-CB 3.26Å; A1195-F1199 WeakPolarHBondContact O-CB 3.29Å; A1195-F1199 PolarHBondContact O-N 2.89Å
1196	K	97.9	Very high	96.2	Very high	40 Å²	40	60.7 Å²	60.7	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-45.3	172.5	168.7	-169.8	78.1	179	0	112.4	L1046 Y1192 E1193 T1194 K1200	L1046-K1196 HydrophobicContact CD1-CB 3.95Å; L1046-K1196 HydrophobicContact CD1-CG 4.46Å; Y1192-K1196 HydrophobicContact CE1-CB 4.37Å; Y1192-K1196 HydrophobicContact CE1-CD 4.49Å; Y1192-K1196 WeakPolarHBondContact O-CB 3.26Å; Y1192-K1196 PolarHBondContact O-N 3.09Å; E1193-K1196 WeakPolarHBondContact OE1-CE 3.29Å; E1193-K1196 IonicContact OE1-NZ 2.72Å; E1193-K1196 PolarHBondContact OE1-NZ 2.97Å; E1193-K1196 IonicContact OE2-NZ 3.22Å; E1193-K1196 PolarHBondContact OE2-NZ 3.46Å; T1194-K1196 VanDerWaalsContact C-N 3.28Å; T1194-K1196 PolarHBondContact O-N 3.42Å; K1196-K1200 WeakPolarHBondContact O-CG 3.42Å; K1196-K1200 PolarHBondContact O-N 3.33Å
1197	N	97.3	Very high	95.9	Very high	91 Å²	91	60.3 Å²	60.3	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-72.3	-39.6	-175.8	-70.1	-12.5	0	0	0	110.3	E1193 T1194 A1195 K1200 K1201	E1193-N1197 WeakPolarHBondContact O-CB 3.47Å; E1193-N1197 PolarHBondContact O-N 3.23Å; E1193-N1197 PolarHBondContact O-ND2 3.41Å; E1193-N1197 PolarHBondContact O-OD1 2.98Å; T1194-N1197 PolarHBondContact O-N 3.15Å; A1195-N1197 PolarHBondContact O-N 3.09Å; N1197-K1200 PolarHBondContact O-N 3.3Å; N1197-K1201 PolarHBondContact O-N 2.68Å
1198	Y	97.9	Very high	95.7	Very high	73 Å²	73	54.3 Å²	54.3	29%	0.286	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-51.7	169.9	-179.5	-92.2	0	0	0	111.9	A1090 F1091 G1094 L1095 T1194 K1200 K1201 G1202	A1090-Y1198 PolarHBondContact O-OH 3.48Å; F1091-Y1198 WeakPolarHBondContact CA-OH 3.47Å; F1091-Y1198 HydrophobicContact CD2-CD1 4.47Å; F1091-Y1198 AromaticContact CD2-CE1 3.61Å; F1091-Y1198 HydrophobicContact CD2-CE1 3.61Å; F1091-Y1198 AromaticContact CE2-CD1 3.84Å; F1091-Y1198 HydrophobicContact CE2-CD1 3.84Å; F1091-Y1198 AromaticContact CE2-CE1 3.41Å; F1091-Y1198 HydrophobicContact CE2-CE1 3.41Å; F1091-Y1198 VanDerWaalsContact CE2-CE1 3.41Å; F1091-Y1198 HydrophobicContact CG-CE1 4.31Å; F1091-Y1198 HydrophobicContact CZ-CD1 4.21Å; F1091-Y1198 AromaticContact CZ-CE1 3.97Å; F1091-Y1198 HydrophobicContact CZ-CE1 3.97Å; F1091-Y1198 VanDerWaalsContact O-CE1 3.28Å; F1091-Y1198 WeakPolarHBondContact O-CE1 3.48Å; F1091-Y1198 PolarHBondContact O-OH 3.1Å; G1094-Y1198 WeakPolarHBondContact CA-OH 3.45Å; L1095-Y1198 HydrophobicContact CD2-CD1 3.71Å; L1095-Y1198 HydrophobicContact CD2-CE1 3.99Å; L1095-Y1198 HydrophobicContact CG-CD1 4.49Å; L1095-Y1198 HydrophobicContact CG-CE1 4.3Å; T1194-Y1198 PolarHBondContact O-N 3.26Å; Y1198-K1200 VanDerWaalsContact C-N 3.29Å; Y1198-K1200 PolarHBondContact O-N 3.4Å; Y1198-K1201 WeakPolarHBondContact O-CA 3.42Å; Y1198-K1201 WeakPolarHBondContact O-CB 3.42Å; Y1198-K1201 PolarHBondContact O-N 2.78Å; Y1198-G1202 PolarHBondContact O-N 3Å
1199	F	97.6	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-53.7	-42.5	174.6	169.2	-99.4	0	0	0	113.2	L1041 R1042 V1045 L1046 F1091 A1195 L1203 W1211	L1041-F1199 HydrophobicContact CD2-CE2 4.26Å; L1041-F1199 HydrophobicContact CD2-CZ 4.33Å; L1041-F1199 HydrophobicContact CG-CE2 3.97Å; L1041-F1199 HydrophobicContact CG-CZ 4.15Å; R1042-F1199 HydrophobicContact CB-CE1 3.82Å; R1042-F1199 HydrophobicContact CB-CZ 3.76Å; R1042-F1199 HydrophobicContact CG-CD1 4.48Å; R1042-F1199 HydrophobicContact CG-CE1 3.86Å; R1042-F1199 HydrophobicContact CG-CZ 4.26Å; V1045-F1199 HydrophobicContact CB-CD2 3.8Å; V1045-F1199 HydrophobicContact CB-CE2 4.1Å; V1045-F1199 HydrophobicContact CG1-CB 4.34Å; V1045-F1199 HydrophobicContact CG1-CD2 3.87Å; V1045-F1199 HydrophobicContact CG1-CG 4.41Å; V1045-F1199 HydrophobicContact CG2-CD2 3.75Å; V1045-F1199 HydrophobicContact CG2-CE2 3.8Å; L1046-F1199 HydrophobicContact CD1-CD1 4.33Å; L1046-F1199 HydrophobicContact CD2-CB 4.44Å; F1091-F1199 HydrophobicContact CZ-CB 4.39Å; F1091-F1199 HydrophobicContact CZ-CD2 4.05Å; A1195-F1199 VanDerWaalsContact O-CB 3.26Å; A1195-F1199 WeakPolarHBondContact O-CB 3.29Å; A1195-F1199 PolarHBondContact O-N 2.89Å; F1199-L1203 HydrophobicContact CD1-CD1 4.09Å; F1199-L1203 HydrophobicContact CD2-CD1 4.43Å; F1199-L1203 HydrophobicContact CE1-CD1 3.53Å; F1199-L1203 HydrophobicContact CE2-CD1 3.92Å; F1199-L1203 HydrophobicContact CE2-CG 4.42Å; F1199-L1203 HydrophobicContact CZ-CD1 3.45Å; F1199-L1203 VanDerWaalsContact CZ-CD1 3.45Å; F1199-L1203 HydrophobicContact CZ-CG 4.41Å; F1199-L1203 WeakPolarHBondContact O-CG 3.32Å; F1199-L1203 PolarHBondContact O-N 3.4Å; F1199-L1203 VanDerWaalsContact O-N 3.17Å; F1199-W1211 AromaticContact CE1-CE3 3.8Å; F1199-W1211 HydrophobicContact CE1-CE3 3.8Å; F1199-W1211 AromaticContact CE1-CZ3 3.84Å; F1199-W1211 HydrophobicContact CE1-CZ3 3.84Å; F1199-W1211 HydrophobicContact CZ-CE3 4.41Å; F1199-W1211 HydrophobicContact CZ-CZ3 4.14Å
1200	K	96.4	Very high	95.3	Very high	61 Å²	61	55.4 Å²	55.4	27%	0.265	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-38.6	175	-79	-177.9	152.5	-143.7	0	113	K1196 N1197 Y1198 K1204 W1211 S1213	K1196-K1200 WeakPolarHBondContact O-CG 3.42Å; K1196-K1200 PolarHBondContact O-N 3.33Å; N1197-K1200 PolarHBondContact O-N 3.3Å; Y1198-K1200 VanDerWaalsContact C-N 3.29Å; Y1198-K1200 PolarHBondContact O-N 3.4Å; K1200-K1204 PolarHBondContact O-N 2.78Å; K1200-W1211 HydrophobicContact CD-CB 4.4Å; K1200-W1211 HydrophobicContact CG-CB 3.9Å; K1200-W1211 HydrophobicContact CG-CG 4.29Å; K1200-S1213 PolarHBondContact NZ-OG 3.07Å
1201	K	95.4	Very high	95.2	Very high	127 Å²	127	47.8 Å²	47.8	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-67.3	-53.1	178.6	-163.8	-158.7	176.1	-105.5	0	109.6	N1197 Y1198 L1203 K1204 D1205	N1197-K1201 PolarHBondContact O-N 2.68Å; Y1198-K1201 WeakPolarHBondContact O-CA 3.42Å; Y1198-K1201 WeakPolarHBondContact O-CB 3.42Å; Y1198-K1201 PolarHBondContact O-N 2.78Å; K1201-L1203 VanDerWaalsContact C-N 3.31Å; K1201-L1203 PolarHBondContact O-N 2.84Å; K1201-K1204 WeakPolarHBondContact O-CA 3.46Å; K1201-K1204 WeakPolarHBondContact O-CB 3.46Å; K1201-K1204 PolarHBondContact O-N 3.23Å; K1201-D1205 VanDerWaalsContact CE-OD2 3.31Å; K1201-D1205 WeakPolarHBondContact CE-OD2 3.33Å; K1201-D1205 WeakPolarHBondContact CG-OD2 3.35Å; K1201-D1205 IonicContact NZ-OD2 2.69Å; K1201-D1205 PolarHBondContact NZ-OD2 3.42Å; K1201-D1205 PolarHBondContact O-N 2.97Å
1202	G	95.3	Very high	95.1	Very high	8 Å²	8	45 Å²	45	8%	0.082	23%	0.232	C	C	.	.	H	α-helix	trans	-53.7	-42.9	177.4	0	0	0	0	0	113.3	Y1198 K1204 D1205 M1206	Y1198-G1202 PolarHBondContact O-N 3Å; G1202-K1204 VanDerWaalsContact C-N 3.29Å; G1202-K1204 PolarHBondContact O-N 3.43Å; G1202-D1205 PolarHBondContact O-N 3.07Å; G1202-M1206 VanDerWaalsContact O-CB 3.31Å; G1202-M1206 WeakPolarHBondContact O-CB 3.47Å; G1202-M1206 WeakPolarHBondContact O-CE 3.5Å; G1202-M1206 WeakPolarHBondContact O-CG 3.49Å; G1202-M1206 PolarHBondContact O-N 3.27Å
1203	L	94.9	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-32.9	174.8	-79.3	171.8	0	0	0	114.3	L1000 L1041 V1084 F1199 K1201 Y1208 G1209 W1211	L1000-L1203 HydrophobicContact CD1-CD1 4.31Å; L1000-L1203 HydrophobicContact CD2-CD1 4.1Å; L1000-L1203 HydrophobicContact CD2-CD2 4.23Å; L1041-L1203 HydrophobicContact CD2-CD2 4.11Å; V1084-L1203 HydrophobicContact CG1-CD2 4.05Å; F1199-L1203 HydrophobicContact CD1-CD1 4.09Å; F1199-L1203 HydrophobicContact CD2-CD1 4.43Å; F1199-L1203 HydrophobicContact CE1-CD1 3.53Å; F1199-L1203 HydrophobicContact CE2-CD1 3.92Å; F1199-L1203 HydrophobicContact CE2-CG 4.42Å; F1199-L1203 HydrophobicContact CZ-CD1 3.45Å; F1199-L1203 VanDerWaalsContact CZ-CD1 3.45Å; F1199-L1203 HydrophobicContact CZ-CG 4.41Å; F1199-L1203 WeakPolarHBondContact O-CG 3.32Å; F1199-L1203 PolarHBondContact O-N 3.4Å; F1199-L1203 VanDerWaalsContact O-N 3.17Å; K1201-L1203 VanDerWaalsContact C-N 3.31Å; K1201-L1203 PolarHBondContact O-N 2.84Å; L1203-Y1208 HydrophobicContact CD2-CD2 4.08Å; L1203-Y1208 WeakPolarHBondContact O-CB 3.4Å; L1203-Y1208 PolarHBondContact O-N 3.39Å; L1203-G1209 PolarHBondContact O-N 3.39Å; L1203-W1211 HydrophobicContact CD1-CE3 4.04Å
1204	K	92.8	Very high	94.5	Very high	125 Å²	125	46.3 Å²	46.3	54%	0.543	24%	0.242	S	C	.	.	H	α-helix	trans	-75.2	-47.7	173.8	-175	-163.9	174.3	-163.5	0	110.4	K1200 K1201 G1202 M1206 G1207	K1200-K1204 PolarHBondContact O-N 2.78Å; K1201-K1204 WeakPolarHBondContact O-CA 3.46Å; K1201-K1204 WeakPolarHBondContact O-CB 3.46Å; K1201-K1204 PolarHBondContact O-N 3.23Å; G1202-K1204 VanDerWaalsContact C-N 3.29Å; G1202-K1204 PolarHBondContact O-N 3.43Å; K1204-M1206 VanDerWaalsContact C-N 3.33Å; K1204-M1206 PolarHBondContact O-N 3.16Å; K1204-G1207 PolarHBondContact O-N 2.96Å
1205	D	92.6	Very high	94.1	Very high	93 Å²	93	43.5 Å²	43.5	50%	0.497	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-36	-175.6	-60.6	-6.1	0	0	0	111.5	K1201 G1202 G1207	K1201-D1205 VanDerWaalsContact CE-OD2 3.31Å; K1201-D1205 WeakPolarHBondContact CE-OD2 3.33Å; K1201-D1205 WeakPolarHBondContact CG-OD2 3.35Å; K1201-D1205 IonicContact NZ-OD2 2.69Å; K1201-D1205 PolarHBondContact NZ-OD2 3.42Å; K1201-D1205 PolarHBondContact O-N 2.97Å; G1202-D1205 PolarHBondContact O-N 3.07Å; D1205-G1207 PolarHBondContact O-N 3.3Å
1206	M	92.5	Very high	93.7	Very high	37 Å²	37	46.5 Å²	46.5	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	8.5	170.8	-67.8	179.9	-84.5	0	0	114.1	V1084 F1091 G1202 K1204 Y1208	V1084-M1206 HydrophobicContact CB-CE 3.93Å; V1084-M1206 HydrophobicContact CG1-CE 3.98Å; F1091-M1206 HydrophobicContact CD2-CE 3.75Å; F1091-M1206 HydrophobicContact CE2-CE 4.23Å; F1091-M1206 HydrophobicContact CG-CE 4.09Å; G1202-M1206 VanDerWaalsContact O-CB 3.31Å; G1202-M1206 WeakPolarHBondContact O-CB 3.47Å; G1202-M1206 WeakPolarHBondContact O-CE 3.5Å; G1202-M1206 WeakPolarHBondContact O-CG 3.49Å; G1202-M1206 PolarHBondContact O-N 3.27Å; K1204-M1206 VanDerWaalsContact C-N 3.33Å; K1204-M1206 PolarHBondContact O-N 3.16Å; M1206-Y1208 VanDerWaalsContact C-N 3.27Å; M1206-Y1208 HydrophobicContact CB-CD2 3.65Å; M1206-Y1208 HydrophobicContact CB-CE2 3.59Å; M1206-Y1208 HydrophobicContact CG-CE2 4.39Å; M1206-Y1208 PolarHBondContact O-N 2.79Å; M1206-Y1208 HydrophobicContact SD-CE2 4Å
1207	G	91.3	Very high	93.3	Very high	48 Å²	48	48.5 Å²	48.5	50%	0.495	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	5.7	175.5	0	0	0	0	0	116.4	K1204 D1205 G1209	K1204-G1207 PolarHBondContact O-N 2.96Å; D1205-G1207 PolarHBondContact O-N 3.3Å; G1207-G1209 VanDerWaalsContact C-N 3.25Å; G1207-G1209 PolarHBondContact O-N 2.98Å
1208	Y	92.9	Very high	93.1	Very high	8 Å²	8	44.6 Å²	44.6	3%	0.031	23%	0.227	C	C	.	.	S	Bend	trans	-75.8	-11.3	177.9	-58.7	-57.4	0	0	0	113.9	G998 L1000 R1083 R1086 L1203 M1206	G998-Y1208 VanDerWaalsContact C-CD1 3.41Å; G998-Y1208 VanDerWaalsContact O-CD1 3.22Å; G998-Y1208 WeakPolarHBondContact O-CD1 3.38Å; L1000-Y1208 WeakPolarHBondContact CB-O 3.41Å; L1000-Y1208 WeakPolarHBondContact CG-O 3.5Å; L1000-Y1208 PolarHBondContact N-O 3.05Å; R1083-Y1208 HydrophobicContact CB-CE1 4.36Å; R1083-Y1208 HydrophobicContact CB-CE2 4.19Å; R1083-Y1208 HydrophobicContact CG-CE2 4.47Å; R1083-Y1208 WeakPolarHBondContact O-CE2 3.46Å; R1083-Y1208 VanDerWaalsContact O-CZ 3.3Å; R1083-Y1208 PolarHBondContact O-OH 2.96Å; R1086-Y1208 PolarHBondContact NH1-OH 3.42Å; L1203-Y1208 HydrophobicContact CD2-CD2 4.08Å; L1203-Y1208 WeakPolarHBondContact O-CB 3.4Å; L1203-Y1208 PolarHBondContact O-N 3.39Å; M1206-Y1208 VanDerWaalsContact C-N 3.27Å; M1206-Y1208 HydrophobicContact CB-CD2 3.65Å; M1206-Y1208 HydrophobicContact CB-CE2 3.59Å; M1206-Y1208 HydrophobicContact CG-CE2 4.39Å; M1206-Y1208 PolarHBondContact O-N 2.79Å; M1206-Y1208 HydrophobicContact SD-CE2 4Å
1209	G	91.9	Very high	92.7	Very high	12 Å²	12	43.2 Å²	43.2	12%	0.124	22%	0.223	C	C	.	.			trans	104.5	178.9	172.4	0	0	0	0	0	114.6	L1000 L1203 G1207	L1000-G1209 VanDerWaalsContact CD1-O 3.26Å; L1000-G1209 WeakPolarHBondContact CD1-O 3.22Å; L1203-G1209 PolarHBondContact O-N 3.39Å; G1207-G1209 VanDerWaalsContact C-N 3.25Å; G1207-G1209 PolarHBondContact O-N 2.98Å
1210	N	92.5	Very high	92.4	Very high	55 Å²	55	47.5 Å²	47.5	29%	0.294	25%	0.246	S	C	.	.			trans	-83	133.6	-172.4	-67.8	-54.3	0	0	0	112.6	I1212	N1210-I1212 PolarHBondContact O-N 3.13Å
1211	W	94.5	Very high	92.3	Very high	35 Å²	35	45.1 Å²	45.1	13%	0.133	24%	0.235	C	C	.	.			trans	-71.6	99.5	173.4	-174.5	-72.7	0	0	0	111.5	L1000 M1034 D1038 K1039 R1042 F1199 K1200 L1203 S1213	L1000-W1211 HydrophobicContact CD1-CB 4.45Å; M1034-W1211 HydrophobicContact CB-CH2 4.32Å; M1034-W1211 HydrophobicContact CB-CZ2 4.07Å; M1034-W1211 HydrophobicContact CE-CD2 4.38Å; M1034-W1211 HydrophobicContact CE-CE3 4.31Å; M1034-W1211 HydrophobicContact CG-CD2 4.19Å; M1034-W1211 HydrophobicContact CG-CH2 4.28Å; M1034-W1211 HydrophobicContact CG-CZ2 3.71Å; D1038-W1211 HydrophobicContact CB-CH2 4.19Å; D1038-W1211 HydrophobicContact CB-CZ3 3.93Å; D1038-W1211 WeakPolarHBondContact O-CH2 3.42Å; D1038-W1211 VanDerWaalsContact O-CZ3 3.32Å; D1038-W1211 WeakPolarHBondContact O-CZ3 3.2Å; K1039-W1211 HydrophobicContact CG-CH2 4.32Å; R1042-W1211 HydrophobicContact CB-CH2 3.72Å; R1042-W1211 HydrophobicContact CB-CZ3 3.99Å; R1042-W1211 VanDerWaalsContact CD-CZ2 3.49Å; R1042-W1211 HydrophobicContact CG-CH2 4.18Å; F1199-W1211 AromaticContact CE1-CE3 3.8Å; F1199-W1211 HydrophobicContact CE1-CE3 3.8Å; F1199-W1211 AromaticContact CE1-CZ3 3.84Å; F1199-W1211 HydrophobicContact CE1-CZ3 3.84Å; F1199-W1211 HydrophobicContact CZ-CE3 4.41Å; F1199-W1211 HydrophobicContact CZ-CZ3 4.14Å; K1200-W1211 HydrophobicContact CD-CB 4.4Å; K1200-W1211 HydrophobicContact CG-CB 3.9Å; K1200-W1211 HydrophobicContact CG-CG 4.29Å; L1203-W1211 HydrophobicContact CD1-CE3 4.04Å; W1211-S1213 PolarHBondContact O-N 2.99Å; W1211-S1213 PolarHBondContact O-OG 2.85Å; W1211-S1213 VanDerWaalsContact O-OG 3.06Å
1212	I	92.4	Very high	92.1	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.072	24%	0.236	C	C	.	.			trans	-61.9	126	177.3	-49.4	-56.3	0	0	0	110.4	T1002 V1013 D1017 P1020 R1032 M1034 N1210	T1002-I1212 HydrophobicContact CG2-CB 4.31Å; T1002-I1212 HydrophobicContact CG2-CG1 4.04Å; V1013-I1212 HydrophobicContact CG1-CD1 3.95Å; V1013-I1212 HydrophobicContact CG1-CG1 4.08Å; V1013-I1212 HydrophobicContact CG2-CG1 3.98Å; D1017-I1212 HydrophobicContact CB-CD1 3.79Å; P1020-I1212 HydrophobicContact CG-CG2 3.79Å; R1032-I1212 HydrophobicContact CB-CG2 3.73Å; M1034-I1212 HydrophobicContact SD-CB 3.69Å; M1034-I1212 HydrophobicContact SD-CG1 4.13Å; M1034-I1212 PolarHBondContact SD-N 3.44Å; N1210-I1212 PolarHBondContact O-N 3.13Å
1213	S	91.1	Very high	91.8	Very high	37 Å²	37	47.2 Å²	47.2	26%	0.259	24%	0.24	S	C	.	.			trans	-116.4	146.4	-173.5	-57.2	0	0	0	0	109.7	K1200 W1211	K1200-S1213 PolarHBondContact NZ-OG 3.07Å; W1211-S1213 PolarHBondContact O-N 2.99Å; W1211-S1213 PolarHBondContact O-OG 2.85Å; W1211-S1213 VanDerWaalsContact O-OG 3.06Å
1214	K	90.6	Very high	90.6	Very high	37 Å²	37	52.4 Å²	52.4	16%	0.161	28%	0.275	C	S	.	.			trans	-68.4	151.5	170.8	-70.2	-73.7	179.2	-118.5	0	110.7	L899 L1031 R1032 T1033 E1218 K1219	L899-K1214 HydrophobicContact CD1-CD 4.35Å; L1031-K1214 HydrophobicContact CD1-CD 3.89Å; L1031-K1214 VanDerWaalsContact CG-NZ 3.34Å; R1032-K1214 PolarHBondContact O-NZ 2.81Å; T1033-K1214 PolarHBondContact OG1-NZ 2.68Å; K1214-E1218 WeakPolarHBondContact CB-OE2 3.5Å; K1214-K1219 PolarHBondContact O-NZ 3.39Å
1215	P	90.4	Very high	88.8	Confident	7 Å²	7	52.8 Å²	52.8	5%	0.045	29%	0.291	C	S	.	.			trans	-46.1	153.2	175.9	-22.6	25.6	0	0	0	113	P1020 W1022 I1025 E1217 K1219	P1020-P1215 WeakPolarHBondContact O-CG 3.5Å; W1022-P1215 HydrophobicContact CB-CB 4.12Å; W1022-P1215 HydrophobicContact CB-CG 4.36Å; W1022-P1215 HydrophobicContact CE3-CB 4.32Å; W1022-P1215 HydrophobicContact CE3-CG 4.31Å; I1025-P1215 HydrophobicContact CD1-CG 3.79Å; P1215-E1217 VanDerWaalsContact C-N 3.33Å; P1215-E1217 WeakPolarHBondContact CB-OE2 3.47Å; P1215-K1219 PolarHBondContact O-NZ 2.98Å
1216	Q	89.2	Confident	86.6	Confident	68 Å²	68	57.6 Å²	57.6	32%	0.318	32%	0.323	S	S	.	.	S	Bend	trans	-74.4	-30.1	-175.1	-176.8	48.6	33.7	0	0	112.5	E1218 K1219 N1220	Q1216-E1218 PolarHBondContact O-N 3.25Å; Q1216-K1219 WeakPolarHBondContact O-CB 3.45Å; Q1216-K1219 PolarHBondContact O-N 3.38Å; Q1216-N1220 PolarHBondContact NE2-OD1 3.3Å; Q1216-N1220 VanDerWaalsContact O-CG 3.3Å; Q1216-N1220 PolarHBondContact O-N 2.92Å; Q1216-N1220 PolarHBondContact O-OD1 3.27Å; Q1216-N1220 VanDerWaalsContact O-OD1 3.11Å
1217	E	90.9	Very high	86.3	Confident	83 Å²	83	58.7 Å²	58.7	39%	0.388	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-54.8	-38.1	177.2	-56.1	62.1	-125.8	0	0	110.7	L901 W1022 P1215 K1219 N1220	L901-E1217 HydrophobicContact CD2-CB 3.56Å; W1022-E1217 HydrophobicContact CB-CG 4.27Å; P1215-E1217 VanDerWaalsContact C-N 3.33Å; P1215-E1217 WeakPolarHBondContact CB-OE2 3.47Å; E1217-K1219 PolarHBondContact O-N 2.61Å; E1217-N1220 PolarHBondContact O-N 3.26Å
1218	E	91.4	Very high	86.1	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.037	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-61.7	-9.2	176.4	-153.6	-142.9	-178.1	0	0	114.4	L899 N907 W1022 K1158 K1214 Q1216	L899-E1218 HydrophobicContact CD1-CG 4.28Å; L899-E1218 WeakPolarHBondContact CD1-OE1 3.39Å; L899-E1218 HydrophobicContact CG-CG 4.36Å; N907-E1218 PolarHBondContact ND2-OE1 3.48Å; N907-E1218 PolarHBondContact OD1-OE1 3.2Å; W1022-E1218 HydrophobicContact CZ3-CB 4.34Å; W1022-E1218 HydrophobicContact CZ3-CG 4.29Å; K1158-E1218 WeakPolarHBondContact CE-OE1 3.16Å; K1158-E1218 IonicContact NZ-OE1 2.65Å; K1158-E1218 PolarHBondContact NZ-OE1 3.02Å; K1214-E1218 WeakPolarHBondContact CB-OE2 3.5Å; Q1216-E1218 PolarHBondContact O-N 3.25Å
1219	K	90.3	Very high	85.7	Confident	45 Å²	45	62.1 Å²	62.1	20%	0.196	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-116.3	-11.8	179.6	-42	-179.4	-158.1	69.8	0	111.8	Y1182 G1183 K1214 P1215 Q1216 E1217 F1221	Y1182-K1219 HydrophobicContact CD1-CB 4.2Å; G1183-K1219 WeakPolarHBondContact CA-O 3.3Å; G1183-K1219 PolarHBondContact N-O 3.39Å; K1214-K1219 PolarHBondContact O-NZ 3.39Å; P1215-K1219 PolarHBondContact O-NZ 2.98Å; Q1216-K1219 WeakPolarHBondContact O-CB 3.45Å; Q1216-K1219 PolarHBondContact O-N 3.38Å; E1217-K1219 PolarHBondContact O-N 2.61Å; K1219-F1221 PolarHBondContact O-N 3.35Å
1220	N	90.8	Very high	85.3	Confident	90 Å²	90	65 Å²	65	48%	0.481	35%	0.35	S	S	.	.			trans	-88.3	52.4	-172.8	-63.9	-9.4	0	0	0	110.9	Q1216 E1217	Q1216-N1220 PolarHBondContact NE2-OD1 3.3Å; Q1216-N1220 VanDerWaalsContact O-CG 3.3Å; Q1216-N1220 PolarHBondContact O-N 2.92Å; Q1216-N1220 PolarHBondContact O-OD1 3.27Å; Q1216-N1220 VanDerWaalsContact O-OD1 3.11Å; E1217-N1220 PolarHBondContact O-N 3.26Å
1221	F	94.7	Very high	84.9	Confident	11 Å²	11	65.6 Å²	65.6	5%	0.048	35%	0.354	C	S	.	.			trans	-120.8	145.5	176.9	71.6	-91.4	0	0	0	112.7	L901 K1158 F1162 S1181 Y1182 K1219	L901-F1221 WeakPolarHBondContact O-CB 3.43Å; L901-F1221 WeakPolarHBondContact O-CD1 3.3Å; K1158-F1221 HydrophobicContact CB-CE1 4.4Å; K1158-F1221 HydrophobicContact CB-CZ 4.09Å; F1162-F1221 AromaticContact CD1-CE2 3.9Å; F1162-F1221 HydrophobicContact CD1-CE2 3.9Å; S1181-F1221 WeakPolarHBondContact CB-O 3.27Å; Y1182-F1221 HydrophobicContact CD1-CD1 4.28Å; Y1182-F1221 AromaticContact CD1-CE1 3.43Å; Y1182-F1221 HydrophobicContact CD1-CE1 3.43Å; Y1182-F1221 VanDerWaalsContact CD1-CE1 3.43Å; Y1182-F1221 AromaticContact CD1-CZ 3.79Å; Y1182-F1221 HydrophobicContact CD1-CZ 3.79Å; Y1182-F1221 HydrophobicContact CD2-CE1 4.28Å; Y1182-F1221 HydrophobicContact CD2-CE2 4.49Å; Y1182-F1221 AromaticContact CD2-CZ 3.77Å; Y1182-F1221 HydrophobicContact CD2-CZ 3.77Å; Y1182-F1221 HydrophobicContact CE1-CE1 4.06Å; Y1182-F1221 HydrophobicContact CE1-CZ 4.35Å; Y1182-F1221 HydrophobicContact CE2-CZ 4.31Å; Y1182-F1221 HydrophobicContact CG-CD1 4.37Å; Y1182-F1221 AromaticContact CG-CE1 3.54Å; Y1182-F1221 HydrophobicContact CG-CE1 3.54Å; Y1182-F1221 HydrophobicContact CG-CE2 4.23Å; Y1182-F1221 AromaticContact CG-CZ 3.44Å; Y1182-F1221 HydrophobicContact CG-CZ 3.44Å; Y1182-F1221 VanDerWaalsContact CG-CZ 3.44Å; Y1182-F1221 PolarHBondContact N-O 3.05Å; K1219-F1221 PolarHBondContact O-N 3.35Å
1222	Y	91.9	Very high	84.2	Confident	147 Å²	147	67.7 Å²	67.7	58%	0.576	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-99.1	162.2	168.5	-64.4	-91.1	0	0	0	109.7	E1184	E1184-Y1222 PolarHBondContact OE2-OH 3.44Å
1223	L	88.4	Confident	83.7	Confident	32 Å²	32	71.5 Å²	71.5	17%	0.168	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-94.4	147	159.6	-65.1	164.8	0	0	0	106.9	K1159 F1162 L1163 K1166	K1159-L1223 HydrophobicContact CG-CD2 3.69Å; F1162-L1223 HydrophobicContact CB-CD1 4.11Å; F1162-L1223 HydrophobicContact CD1-CD1 3.39Å; F1162-L1223 HydrophobicContact CD1-CD2 4.45Å; F1162-L1223 HydrophobicContact CD1-CG 3.63Å; F1162-L1223 HydrophobicContact CE1-CD1 4Å; F1162-L1223 HydrophobicContact CE1-CG 4.12Å; F1162-L1223 HydrophobicContact CG-CD1 3.85Å; L1163-L1223 HydrophobicContact CB-CD1 4.42Å; L1163-L1223 HydrophobicContact CD1-CD2 4.29Å; L1163-L1223 HydrophobicContact CD2-CD1 3.79Å; L1163-L1223 HydrophobicContact CD2-CD2 4.09Å; L1163-L1223 HydrophobicContact CD2-CG 4.38Å; L1163-L1223 HydrophobicContact CG-CD1 3.75Å; L1163-L1223 HydrophobicContact CG-CD2 3.81Å; L1163-L1223 HydrophobicContact CG-CG 4.39Å; K1166-L1223 HydrophobicContact CG-CD1 3.81Å
1224	C	69.3	Low	83.1	Confident	109 Å²	109	74.2 Å²	74.2	74%	0.736	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-57.1	147.6	167	-58.2	0	0	0	0	109	V1226	C1224-V1226 PolarHBondContact O-N 2.7Å
1225	P	55.6	Low	82.5	Confident	133 Å²	133	77.3 Å²	77.3	86%	0.864	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-50.7	140.4	164.7	-24.5	34.8	0	0	0	110.3
1226	V	46.7	Very low	81.7	Confident	194 Å²	194	83.6 Å²	83.6	100%	1.176	45%	0.453	S	S	*	.			trans	-115.1	0	176.1	-176.3	0	0	0	0	107.3	C1224	C1224-V1226 PolarHBondContact O-N 2.7Å

Retrieved 1,226 of 1,226 residues in 2784 ms (Link to these results)

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