A0A087YNX7_POEFO Loading...

Syntaxin-binding protein 5-like

AlphaFold DB , UniProt , Accession A0A087YNX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,149 aa.

						>A0A087YNX7_POEFO|A0A087YNX7
MKKFNIRKVLDGLKEASSSSSSSTPSVQVGPQENNLIQETLQSEHFQLCKTVRHGFPHQPSSMAFDPVQKILAIGTQSGALRLFGRPGVECYCQHESGAAVIQLQFLINEGALVSALADDSVHLWNLRQKRPAVLHSLKFNRERITFCHLPFQSKWLYIGTERGNIHIVNVESFMLSGYVIMWNKAIELSSKSHPGPVVHISDNPMDEGKLIIGFESGIVVLWDLKSKKADYRYTYDEAIHSVAWHHEGKQFICSHSDGTLTIWNIRGQGKPIQTITPHGKQPKDGKKPEPCKPILKVEYKTTRNGDPFIIFSGGLSYDTVGRRPCLTVMHGKSIAVLEMDYPIVDFLTLCETPYSNDFQEPYAVVVLLEKDLVVIDLAQNGYPIFENPYPLTIHESPVTCCEYFADCPVDLIPAFYSVGSRQKRQGYSKKEWPISGGNWGQGTQSYSEIIITGHADGTVKFWDASAIMLQVLYKLKTAKVFDRNRSKEDKGSTEVSDEDPFAIQIMAWCPESRMLCVAGVSANVIIYRFSKLEVTTEVVQLLEVRMQYELNETESPDGGGGEQTSAHPTPGASPQTSGPPSHPSTSSNNSDGGNIPCLKVRSSPLKQSPGYQVDLVVQSVWVSGEPPQQITSLAMNSSYGLLVFGNSNGLAVVDYIQKMVVLNLGTVELYGSNDPYQRQPRSPRKTRQPSGVGLCDINECSATSEDRCKSPTSESDTQNSNFFYRSSYFVETVNLCSMKFHSMSSSDCAKMSRKLSLPTELKPDLDHRDNSFSRSRSSSVTSIDKEAREAVSSFHFCETFARKGDCALTPCLYVGTSLGTVLVLALTLPPAGEQRQLQPIIISPTGMLVRLKGSIMRMAFLDSAGSLLPSAFETWYEPNVTADGEEREKIRRRRPVSVSPSSSQELNESQFAVVCSEKQAKVISLPSQTCIYKHSITEASFILRADVVQMNQSVCVACFCANGHIMTLSVPGLRPLMDVNYLPLTDMRIARTFCFTNLGQAMYLCSPTEIQRITYSQETCENLQEMLGELFTPVETPEAPNRGFFKGLFGGGAQSLDREELFGELAAGKASRSLAQHIPGPGGIEGMKGAASGVVGDLARARIALDERGQKLGELEERTAAMMASADSFSKHAHDMMLKCKDKKWYQF
					

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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	31.7	Very low	30.1	Very low	244 Å²	244	187.7 Å²	187.7	100%	1.202	89%	0.893	S	S	*	*				0	137.4	0	-77.6	174	-153.7	0	0	108.6	K3	M1-K3 PolarHBondContact O-N 3.18Å
2	K	24.7	Very low	30.4	Very low	197 Å²	197	178.1 Å²	178.1	86%	0.857	88%	0.881	S	S	*	*			trans	-61.7	126.2	-170.1	-69.9	176.4	175	179.2	0	111.5	F4	K2-F4 PolarHBondContact O-N 2.95Å
3	K	28.5	Very low	30.2	Very low	207 Å²	207	177.5 Å²	177.5	90%	0.9	88%	0.882	S	S	*	*			trans	-69.4	120.4	167.6	-74.6	179.3	175.3	179.1	0	108.5	M1	M1-K3 PolarHBondContact O-N 3.18Å
4	F	25.8	Very low	30.1	Very low	186 Å²	186	179.6 Å²	179.6	82%	0.816	88%	0.883	S	S	*	*			trans	-88.3	113.8	167.7	-93.5	-91.9	0	0	0	108.9	K2	K2-F4 PolarHBondContact O-N 2.95Å
5	N	28.5	Very low	29.9	Very low	158 Å²	158	180.8 Å²	180.8	85%	0.845	89%	0.886	S	S	*	*			trans	-87.1	116.1	167.7	-102.3	-29.3	0	0	0	108.1
6	I	30.8	Very low	29.7	Very low	156 Å²	156	175.8 Å²	175.8	80%	0.8	88%	0.882	S	S	*	*			trans	-114.2	85.9	164.9	-62.4	174.6	0	0	0	107.1
7	R	32.8	Very low	29.6	Very low	236 Å²	236	172.9 Å²	172.9	89%	0.891	88%	0.883	S	S	*	*			trans	-135.7	130.6	155.2	-84.6	-174.8	175.2	177.6	-2	105.7
8	K	32.8	Very low	29.5	Very low	204 Å²	204	169.7 Å²	169.7	89%	0.887	88%	0.878	S	S	*	*			trans	95.8	69.4	-173.9	-59.9	-175.9	173.9	-177.3	0	116.5
9	V	31.8	Very low	29.4	Very low	136 Å²	136	166.7 Å²	166.7	82%	0.824	87%	0.873	S	S	*	*			trans	-155.1	100.9	136.7	-179.3	0	0	0	0	106.6
10	L	30.4	Very low	29.4	Very low	168 Å²	168	164 Å²	164	88%	0.88	87%	0.869	S	S	*	*			trans	172.3	40.4	150	-94.6	160	0	0	0	112.3
11	D	33.8	Very low	29.3	Very low	173 Å²	173	161.6 Å²	161.6	93%	0.925	87%	0.866	S	S	*	*			trans	-114	113.8	160.6	-78.9	-35.6	0	0	0	107.5
12	G	33.1	Very low	29.1	Very low	72 Å²	72	155.1 Å²	155.1	74%	0.742	84%	0.844	S	S	*	*			trans	125	75.4	177.3	0	0	0	0	0	112.9
13	L	27.8	Very low	29.3	Very low	171 Å²	171	150.9 Å²	150.9	90%	0.895	84%	0.84	S	S	*	*			trans	-176.3	95	148.6	-99.7	160	0	0	0	108.8
14	K	29	Very low	29.3	Very low	206 Å²	206	147.5 Å²	147.5	90%	0.896	84%	0.837	S	S	*	*			trans	163.8	83.4	135.1	-88.6	171.5	-177.2	-175.7	0	110.9
15	E	26.9	Very low	29.6	Very low	198 Å²	198	144.5 Å²	144.5	93%	0.925	84%	0.836	S	S	*	*			trans	-124	150.5	145.2	-82.8	-169.6	156.9	0	0	108.2
16	A	27.4	Very low	29.6	Very low	100 Å²	100	142.4 Å²	142.4	83%	0.826	83%	0.833	S	S	*	*			trans	87.3	89.5	-179.6	0	0	0	0	0	117.9
17	S	27.2	Very low	29.4	Very low	128 Å²	128	141.5 Å²	141.5	90%	0.895	84%	0.835	S	S	*	*				-173.7	122.1	116	39.9	0	0	0	0	111.3
18	S	28.4	Very low	29.1	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	83%	0.834	S	S	*	*			trans	-102.2	130.8	169	46.6	0	0	0	0	109.6
19	S	28.1	Very low	29	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	83%	0.833	S	S	*	*				166	118.8	128.6	46.9	0	0	0	0	113.6
20	S	28.8	Very low	28.8	Very low	113 Å²	113	132.8 Å²	132.8	79%	0.79	82%	0.824	S	S	*	*			trans	46.8	115.5	142.7	61.3	0	0	0	0	122.9
21	S	27.1	Very low	29.2	Very low	114 Å²	114	130 Å²	130	80%	0.797	82%	0.817	S	S	*	*				-175.7	106.7	113.9	59	0	0	0	0	114.2
22	S	28.1	Very low	29.1	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	82%	0.818	S	S	*	*			trans	35	132.1	140.2	57.6	0	0	0	0	125.9
23	S	27.6	Very low	29.4	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	82%	0.816	S	S	*	*			trans	84.1	133	139.6	80	0	0	0	0	118.7
24	T	28.7	Very low	29.9	Very low	136 Å²	136	134.3 Å²	134.3	83%	0.834	81%	0.812	S	S	*	*			cis	-167.6	176.6	3.9	-3.1	0	0	0	0	108.8
25	P	32.6	Very low	30.7	Very low	123 Å²	123	132 Å²	132	80%	0.799	81%	0.809	S	S	*	*				-105	154.3	-121.4	37.6	-22.9	0	0	0	116.3
26	S	27.9	Very low	32.5	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	79%	0.793	S	S	*	*			trans	-121.9	119.2	157.2	61.3	0	0	0	0	109.9	Q28	S26-Q28 PolarHBondContact O-N 3.42Å
27	V	28	Very low	34.9	Very low	137 Å²	137	124.4 Å²	124.4	83%	0.83	76%	0.76	S	S	*	*			trans	-19	114	176.6	-177.3	0	0	0	0	115.9
28	Q	25.4	Very low	37.4	Very low	188 Å²	188	126.5 Å²	126.5	88%	0.879	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.9	124	163.5	-73.6	174.5	-31.4	0	0	109.9	S26	S26-Q28 PolarHBondContact O-N 3.42Å
29	V	31.6	Very low	40.1	Very low	142 Å²	142	122.6 Å²	122.6	86%	0.861	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-94.3	118.4	151	177.8	0	0	0	0	105.1
30	G	27.9	Very low	43.1	Very low	62 Å²	62	120.8 Å²	120.8	64%	0.639	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-69.2	156.3	-170	0	0	0	0	0	114.4
31	P	37.9	Very low	46.2	Very low	111 Å²	111	115.9 Å²	115.9	72%	0.721	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-87.3	122.5	173.7	32.9	-27	0	0	0	110.4	E33	P31-E33 VanDerWaalsContact C-N 3.3Å; P31-E33 HydrophobicContact CB-CG 4.26Å
32	Q	31.1	Very low	49.4	Very low	205 Å²	205	114.6 Å²	114.6	96%	0.958	66%	0.656	S	S	*	*			trans	-92.9	71.2	151.1	-89.5	-174.8	-28.3	0	0	107.5	N34	Q32-N34 PolarHBondContact O-N 3.19Å
33	E	39.2	Very low	52.6	Low	148 Å²	148	112.8 Å²	112.8	69%	0.692	64%	0.643	S	S	*	*			trans	-85.4	91.9	163.2	-77.9	-177.2	161.7	0	0	107.5	P31	P31-E33 VanDerWaalsContact C-N 3.3Å; P31-E33 HydrophobicContact CB-CG 4.26Å
34	N	38	Very low	55.7	Low	152 Å²	152	114 Å²	114	81%	0.813	64%	0.637	S	S	*	*			trans	-166.3	119.3	159.2	-92.4	-25.4	0	0	0	106.7	Q32	Q32-N34 PolarHBondContact O-N 3.19Å
35	N	47.3	Very low	58.9	Low	157 Å²	157	111 Å²	111	84%	0.84	61%	0.613	S	S	*	*			trans	108.1	38.2	-174.5	-55	-13.4	0	0	0	115.8
36	L	64.5	Low	62	Low	110 Å²	110	105.9 Å²	105.9	58%	0.576	58%	0.578	S	S	*	*			trans	-86.9	123.7	164.2	-72.8	170.3	0	0	0	109.2	Q38 Y933	L36-Q38 PolarHBondContact O-N 3.28Å; L36-Y933 HydrophobicContact CD2-CE2 4.48Å; L36-Y933 WeakPolarHBondContact CD2-OH 3.48Å
37	I	76.6	Confident	65.2	Low	29 Å²	29	104.9 Å²	104.9	15%	0.149	56%	0.561	C	S	.	*			trans	-46.9	128	171.7	-69	159.3	0	0	0	109.2	E39 S864 A865 F912 P972	I37-E39 PolarHBondContact O-N 3.32Å; I37-S864 WeakPolarHBondContact CG1-O 3.11Å; I37-A865 WeakPolarHBondContact CG2-O 3.46Å; I37-F912 HydrophobicContact CD1-CD2 3.69Å; I37-F912 HydrophobicContact CD1-CE2 3.35Å; I37-F912 HydrophobicContact CD1-CZ 4.1Å; I37-F912 HydrophobicContact CG1-CE2 4.3Å; I37-P972 HydrophobicContact CB-CG 4.16Å; I37-P972 HydrophobicContact CD1-CG 4.1Å
38	Q	79.8	Confident	68.4	Low	173 Å²	173	99.9 Å²	99.9	81%	0.808	53%	0.53	S	S	*	.			trans	-72.5	110.3	176.4	-175.5	178.3	0.1	0	0	109.9	L36	L36-Q38 PolarHBondContact O-N 3.28Å
39	E	86.9	Confident	71.6	Confident	31 Å²	31	92 Å²	92	15%	0.145	50%	0.495	C	S	.	.			trans	-78.5	122.1	174.9	-62.9	-176.3	-178.8	0	0	111.1	I37 S970 P972 G973 R975	I37-E39 PolarHBondContact O-N 3.32Å; E39-S970 VanDerWaalsContact CD-OG 3.31Å; E39-S970 PolarHBondContact OE1-OG 3.27Å; E39-S970 WeakPolarHBondContact OE2-CB 3.13Å; E39-S970 PolarHBondContact OE2-OG 2.89Å; E39-P972 WeakPolarHBondContact OE1-CD 2.69Å; E39-G973 WeakPolarHBondContact OE1-CA 3.2Å; E39-G973 PolarHBondContact OE1-N 3.13Å; E39-R975 IonicContact OE2-CZ 3.69Å; E39-R975 VanDerWaalsContact OE2-CZ 3.27Å; E39-R975 IonicContact OE2-NE 2.7Å; E39-R975 PolarHBondContact OE2-NE 2.85Å; E39-R975 IonicContact OE2-NH2 3.74Å; E39-R975 PolarHBondContact OE2-NH2 3.05Å
40	T	89.9	Confident	74.5	Confident	75 Å²	75	89.8 Å²	89.8	46%	0.46	47%	0.474	S	S	.	.			trans	-95.3	-22.4	179.3	71.6	0	0	0	0	113.2	Q42 H45 S954	T40-Q42 PolarHBondContact O-N 3.12Å; T40-H45 PolarHBondContact O-CE1 2.87Å; T40-S954 PolarHBondContact OG1-OG 2.78Å
41	L	93.5	Very high	77.5	Confident	11 Å²	11	87.9 Å²	87.9	6%	0.058	45%	0.45	C	S	.	.			trans	-70.6	130.9	-178.6	-65.9	175	0	0	0	111.5	F46 M951 C956 L977	L41-F46 HydrophobicContact CB-CE2 4.44Å; L41-F46 HydrophobicContact CD1-CZ 4.4Å; L41-M951 HydrophobicContact CD1-CB 4.12Å; L41-M951 HydrophobicContact CD2-CB 3.98Å; L41-C956 HydrophobicContact CD1-CB 3.85Å; L41-L977 HydrophobicContact CB-CD1 3.87Å; L41-L977 HydrophobicContact CD1-CD1 4.4Å; L41-L977 WeakPolarHBondContact O-CD2 3.18Å
42	Q	94.3	Very high	79.9	Confident	86 Å²	86	83.2 Å²	83.2	40%	0.402	42%	0.419	S	S	.	.			trans	-125.3	163.4	176.8	-60.3	-57.8	-31.7	0	0	109.9	T40 E44 H45 F46	T40-Q42 PolarHBondContact O-N 3.12Å; Q42-E44 HydrophobicContact CB-CG 3.98Å; Q42-E44 PolarHBondContact O-N 2.94Å; Q42-E44 VanDerWaalsContact O-N 3.15Å; Q42-H45 PolarHBondContact N-ND1 3.4Å; Q42-H45 WeakPolarHBondContact O-CB 3.43Å; Q42-H45 PolarHBondContact O-N 2.83Å; Q42-F46 VanDerWaalsContact O-CD2 3.27Å; Q42-F46 WeakPolarHBondContact O-CD2 3.36Å; Q42-F46 WeakPolarHBondContact O-CE2 3.17Å
43	S	95	Very high	82.8	Confident	70 Å²	70	74.6 Å²	74.6	49%	0.49	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-57.7	-27.4	178.6	-65.4	0	0	0	0	114	H45 F46 L977	S43-H45 PolarHBondContact O-N 3.09Å; S43-F46 PolarHBondContact O-N 3.14Å; S43-L977 WeakPolarHBondContact CA-O 3.28Å; S43-L977 VanDerWaalsContact CB-O 3.24Å; S43-L977 WeakPolarHBondContact CB-O 3.37Å; S43-L977 PolarHBondContact OG-O 3.31Å
44	E	94.6	Very high	85.3	Confident	135 Å²	135	67.6 Å²	67.6	63%	0.631	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-74.8	0.1	175.7	65.9	-172.9	-162.3	0	0	114.4	Q42 F46 Q1018	Q42-E44 HydrophobicContact CB-CG 3.98Å; Q42-E44 PolarHBondContact O-N 2.94Å; Q42-E44 VanDerWaalsContact O-N 3.15Å; E44-F46 VanDerWaalsContact C-N 3.31Å; E44-Q1018 PolarHBondContact O-OE1 2.83Å
45	H	95.6	Very high	87.9	Confident	71 Å²	71	60.4 Å²	60.4	33%	0.329	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-90.6	-3	169	-57.9	150.2	0	0	0	112	T40 Q42 S43 Q1018	T40-H45 PolarHBondContact O-CE1 2.87Å; Q42-H45 PolarHBondContact N-ND1 3.4Å; Q42-H45 WeakPolarHBondContact O-CB 3.43Å; Q42-H45 PolarHBondContact O-N 2.83Å; S43-H45 PolarHBondContact O-N 3.09Å; H45-Q1018 PolarHBondContact O-N 2.8Å
46	F	96.2	Very high	90	Very high	16 Å²	16	53 Å²	53	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.8	-171.6	-62.6	-90.9	0	0	0	112	L41 Q42 S43 E44 M951 T968 L977 M978 Y1016	L41-F46 HydrophobicContact CB-CE2 4.44Å; L41-F46 HydrophobicContact CD1-CZ 4.4Å; Q42-F46 VanDerWaalsContact O-CD2 3.27Å; Q42-F46 WeakPolarHBondContact O-CD2 3.36Å; Q42-F46 WeakPolarHBondContact O-CE2 3.17Å; S43-F46 PolarHBondContact O-N 3.14Å; E44-F46 VanDerWaalsContact C-N 3.31Å; F46-M951 HydrophobicContact CD1-CE 4.23Å; F46-M951 HydrophobicContact CE1-CE 3.78Å; F46-M951 HydrophobicContact CE1-CG 4.38Å; F46-M951 HydrophobicContact CE1-SD 4.48Å; F46-M951 HydrophobicContact CZ-CE 4.28Å; F46-M951 HydrophobicContact CZ-CG 4.46Å; F46-T968 HydrophobicContact CD1-CG2 4.07Å; F46-T968 HydrophobicContact CE1-CG2 3.87Å; F46-L977 HydrophobicContact CD2-CB 3.97Å; F46-L977 HydrophobicContact CE2-CB 3.74Å; F46-L977 HydrophobicContact CE2-CD1 3.66Å; F46-L977 HydrophobicContact CE2-CG 4.21Å; F46-L977 HydrophobicContact CZ-CB 4.28Å; F46-L977 HydrophobicContact CZ-CD1 3.8Å; F46-M978 HydrophobicContact CB-CB 3.93Å; F46-M978 HydrophobicContact CB-CG 4.27Å; F46-M978 HydrophobicContact CB-SD 3.99Å; F46-M978 HydrophobicContact CD1-CB 4.48Å; F46-M978 HydrophobicContact CG-CB 4.23Å; F46-Y1016 VanDerWaalsContact CA-O 3.28Å; F46-Y1016 WeakPolarHBondContact CA-O 3.34Å; F46-Y1016 AromaticContact CD1-CD2 3.93Å; F46-Y1016 HydrophobicContact CD1-CD2 3.93Å; F46-Y1016 HydrophobicContact CE1-CD2 4.07Å; F46-Y1016 HydrophobicContact CE1-CE2 4.36Å
47	Q	95.8	Very high	91.4	Very high	93 Å²	93	47.8 Å²	47.8	44%	0.435	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	124.5	168.9	-175	177.3	4.3	0	0	108.9	Y1016 Q1018 C1021	Q47-Y1016 PolarHBondContact N-O 2.93Å; Q47-Y1016 CarbonylContact O-C 3.59Å; Q47-Y1016 VanDerWaalsContact O-C 3.23Å; Q47-Y1016 WeakPolarHBondContact O-CA 3.39Å; Q47-Q1018 HydrophobicContact CB-CB 4.15Å; Q47-Q1018 HydrophobicContact CB-CG 4.5Å; Q47-C1021 HydrophobicContact CB-CB 4.42Å; Q47-C1021 HydrophobicContact CG-CB 4.39Å; Q47-C1021 PolarHBondContact O-SG 2.62Å
48	L	95.6	Very high	92.2	Very high	32 Å²	32	49 Å²	49	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.6	178.6	-171	70.7	0	0	0	111	I966 M978 V980 Y982 I1014 T1015	L48-I966 HydrophobicContact CD1-CD1 4.1Å; L48-I966 HydrophobicContact CD2-CD1 4.05Å; L48-M978 HydrophobicContact CB-SD 4.27Å; L48-V980 HydrophobicContact CD2-CB 4.2Å; L48-V980 HydrophobicContact CD2-CG1 3.84Å; L48-Y982 HydrophobicContact CD2-CD1 4.44Å; L48-Y982 HydrophobicContact CD2-CD2 3.39Å; L48-Y982 HydrophobicContact CD2-CE2 4.14Å; L48-Y982 HydrophobicContact CD2-CG 3.58Å; L48-Y982 HydrophobicContact CG-CD2 4.31Å; L48-I1014 HydrophobicContact CD1-CD1 4.15Å; L48-T1015 CarbonylContact C-O 3.55Å; L48-T1015 WeakPolarHBondContact CA-O 3.19Å
49	C	93.2	Very high	92.9	Very high	23 Å²	23	45.1 Å²	45.1	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.1	172.5	66.3	0	0	0	0	112.6	I1014 T1015 C1021	C49-I1014 WeakPolarHBondContact O-CA 3.48Å; C49-T1015 PolarHBondContact N-O 3.02Å; C49-T1015 PolarHBondContact O-N 2.95Å; C49-T1015 WeakPolarHBondContact SG-CG2 3.38Å; C49-C1021 HydrophobicContact CB-CB 4.32Å; C49-C1021 WeakPolarHBondContact CB-SG 2.84Å; C49-C1021 VanDerWaalsContact SG-CA 3.57Å; C49-C1021 WeakPolarHBondContact SG-CB 3.47Å; C49-C1021 CovalentContact SG-SG 2.07Å; C49-C1021 PolarHBondContact SG-SG 3.22Å
50	K	92.8	Very high	93.4	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.417	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131	169.4	-70	176.1	-179.8	171.8	0	108.9	Y982 I1014	K50-Y982 WeakPolarHBondContact CE-OH 3.39Å; K50-Y982 HydrophobicContact CG-CE2 4.49Å; K50-Y982 WeakPolarHBondContact CG-OH 3.25Å; K50-I1014 HydrophobicContact CG-CG2 4.17Å
51	T	90.3	Very high	93.8	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-73.1	-178.3	53.8	0	0	0	0	110.9	R1013 T1015 L1024	T51-R1013 PolarHBondContact N-O 3.3Å; T51-R1013 VanDerWaalsContact N-O 3.12Å; T51-R1013 VanDerWaalsContact OG1-C 3.28Å; T51-R1013 VanDerWaalsContact OG1-CB 3.22Å; T51-R1013 WeakPolarHBondContact OG1-CB 3.43Å; T51-R1013 PolarHBondContact OG1-O 3.08Å; T51-T1015 HydrophobicContact CG2-CG2 3.63Å; T51-L1024 HydrophobicContact CG2-CD1 4.28Å; T51-L1024 HydrophobicContact CG2-CD2 4.24Å
52	V	88.9	Confident	94	Very high	13 Å²	13	41.6 Å²	41.6	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.2	-175.9	60.4	0	0	0	0	110.6	H54 I468 Q1012 R1013	V52-H54 WeakPolarHBondContact CG1-CE1 3.33Å; V52-H54 WeakPolarHBondContact CG1-NE2 3.49Å; V52-H54 VanDerWaalsContact CG2-CE1 3.46Å; V52-H54 WeakPolarHBondContact CG2-CE1 3.42Å; V52-I468 HydrophobicContact CB-CG2 4.43Å; V52-I468 HydrophobicContact CG2-CG2 3.81Å; V52-Q1012 PolarHBondContact O-NE2 3.01Å; V52-Q1012 VanDerWaalsContact O-NE2 3.1Å; V52-R1013 HydrophobicContact CG1-CB 4.03Å; V52-R1013 HydrophobicContact CG1-CG 4.41Å; V52-R1013 PolarHBondContact O-N 3.28Å
53	R	92	Very high	94.2	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.9	172.6	-170.3	176.8	-67.9	-162.6	1.5	109.7	R82 Y92 E1010 I1011	R53-R82 VanDerWaalsContact CG-NH1 3.31Å; R53-R82 VanDerWaalsContact O-CZ 3.3Å; R53-R82 PolarHBondContact O-NH1 3.46Å; R53-R82 PolarHBondContact O-NH2 3.41Å; R53-Y92 PolarHBondContact NH1-OH 2.89Å; R53-Y92 VanDerWaalsContact NH1-OH 3.13Å; R53-Y92 VanDerWaalsContact NH2-CE1 3.34Å; R53-Y92 PolarHBondContact NH2-OH 2.62Å; R53-E1010 WeakPolarHBondContact CD-OE1 3.49Å; R53-E1010 HydrophobicContact CG-CB 4.16Å; R53-I1011 CarbonylContact C-O 3.59Å; R53-I1011 VanDerWaalsContact CA-O 3.31Å; R53-I1011 WeakPolarHBondContact CA-O 3.37Å; R53-I1011 WeakPolarHBondContact CG-O 3.34Å
54	H	91.6	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	156.3	178	-52.1	-54.9	0	0	0	111.2	V52 E90 I394 I468 L470 E1010 I1011 R1013	V52-H54 WeakPolarHBondContact CG1-CE1 3.33Å; V52-H54 WeakPolarHBondContact CG1-NE2 3.49Å; V52-H54 VanDerWaalsContact CG2-CE1 3.46Å; V52-H54 WeakPolarHBondContact CG2-CE1 3.42Å; H54-E90 IonicContact ND1-OE1 3.35Å; H54-E90 PolarHBondContact ND1-OE1 3.01Å; H54-I394 HydrophobicContact CB-CD1 4.08Å; H54-I468 PolarHBondContact CE1-O 3.2Å; H54-L470 HydrophobicContact CB-CB 4.11Å; H54-L470 HydrophobicContact CB-CD2 3.72Å; H54-E1010 CarbonylContact O-C 3.5Å; H54-E1010 WeakPolarHBondContact O-CA 3.44Å; H54-E1010 WeakPolarHBondContact O-CB 3.46Å; H54-I1011 PolarHBondContact N-O 3.43Å; H54-I1011 PolarHBondContact O-N 3.12Å; H54-R1013 VanDerWaalsContact NE2-CD 3.25Å; H54-R1013 WeakPolarHBondContact NE2-CD 3.45Å
55	G	91.3	Very high	94.5	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101	-178.6	174.8	0	0	0	0	0	114.2	T1009	G55-T1009 WeakPolarHBondContact CA-O 3.36Å
56	F	92.1	Very high	94.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-80.6	129.5	-177.5	-173.5	-107.5	0	0	0	111.5	H58 P60 L368 L369 K371 D372 L373 L392 T1009 E1010	F56-H58 PolarHBondContact O-N 2.65Å; F56-P60 HydrophobicContact CE1-CG 3.77Å; F56-P60 HydrophobicContact CZ-CG 3.88Å; F56-L368 HydrophobicContact CE2-CD1 4.14Å; F56-L368 HydrophobicContact CZ-CD1 3.82Å; F56-L369 WeakPolarHBondContact CZ-O 3.45Å; F56-K371 VanDerWaalsContact CE1-C 3.42Å; F56-D372 VanDerWaalsContact CE2-C 3.46Å; F56-D372 WeakPolarHBondContact CZ-O 3.39Å; F56-L373 HydrophobicContact CE2-CB 4.03Å; F56-L392 HydrophobicContact CB-CB 4.04Å; F56-L392 WeakPolarHBondContact CB-O 3.41Å; F56-L392 HydrophobicContact CD2-CB 4.2Å; F56-L392 HydrophobicContact CD2-CD1 4.06Å; F56-L392 PolarHBondContact N-O 3.32Å; F56-L392 VanDerWaalsContact N-O 3.13Å; F56-T1009 PolarHBondContact N-O 3.01Å; F56-T1009 WeakPolarHBondContact O-CB 3.47Å; F56-T1009 PolarHBondContact O-OG1 3.38Å; F56-E1010 WeakPolarHBondContact O-CG 3.25Å
57	P	93.7	Very high	94.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-49.1	125.5	176.1	4.1	-16.3	0	0	0	112.5	I74 T76 R82	P57-I74 HydrophobicContact CB-CG2 4.34Å; P57-I74 HydrophobicContact CG-CB 4.25Å; P57-I74 HydrophobicContact CG-CD1 4.16Å; P57-I74 HydrophobicContact CG-CG2 3.83Å; P57-T76 HydrophobicContact CB-CG2 3.77Å; P57-R82 HydrophobicContact CB-CB 4.46Å; P57-R82 HydrophobicContact CB-CG 3.72Å; P57-R82 HydrophobicContact CG-CB 4.08Å; P57-R82 HydrophobicContact CG-CG 3.79Å
58	H	92.4	Very high	94.3	Very high	56 Å²	56	23.5 Å²	23.5	26%	0.259	12%	0.123	S	C	.	.	S	Bend	trans	-72.7	133.2	179.5	-170.5	57.5	0	0	0	111.7	F56 E1010	F56-H58 PolarHBondContact O-N 2.65Å; H58-E1010 PolarHBondContact N-OE2 3.29Å
59	Q	95.4	Very high	94.2	Very high	90 Å²	90	22.1 Å²	22.1	42%	0.421	12%	0.116	S	C	.	.	S	Bend	trans	51.9	62.8	-179	-65.1	174.2	-30	0	0	112.1	T76 Q77	Q59-T76 WeakPolarHBondContact O-CA 3.43Å; Q59-T76 WeakPolarHBondContact O-CB 3.48Å; Q59-Q77 HydrophobicContact CB-CB 4.07Å; Q59-Q77 HydrophobicContact CB-CG 4.05Å; Q59-Q77 PolarHBondContact O-N 2.88Å
60	P	97.7	Very high	94.4	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	148.5	175	29.4	-33.9	0	0	0	110.2	F56 I74 G75 V345 L368 L369 E370	F56-P60 HydrophobicContact CE1-CG 3.77Å; F56-P60 HydrophobicContact CZ-CG 3.88Å; P60-I74 HydrophobicContact CB-CG2 3.92Å; P60-G75 WeakPolarHBondContact CA-O 3.38Å; P60-V345 HydrophobicContact CG-CG2 4.28Å; P60-L368 HydrophobicContact CB-CD1 3.89Å; P60-L368 HydrophobicContact CB-CD2 3.94Å; P60-L368 HydrophobicContact CB-CG 4.03Å; P60-L368 HydrophobicContact CG-CD1 4.18Å; P60-L368 HydrophobicContact CG-CG 4.33Å; P60-L369 WeakPolarHBondContact CG-O 3.36Å; P60-E370 WeakPolarHBondContact CD-O 3.36Å
61	S	98.1	Very high	94.5	Very high	34 Å²	34	20.9 Å²	20.9	24%	0.238	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	-19.5	-175.8	58	0	0	0	0	114.4	G75 T76 V101	S61-G75 PolarHBondContact N-O 3Å; S61-G75 PolarHBondContact OG-O 3.48Å; S61-T76 WeakPolarHBondContact OG-CA 3.26Å; S61-T76 PolarHBondContact OG-O 2.84Å; S61-V101 WeakPolarHBondContact CB-O 3.47Å; S61-V101 PolarHBondContact OG-O 2.93Å
62	S	97.8	Very high	94.9	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.035	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	163	177.6	52.5	0	0	0	0	111.2	I74 G75 V101	S62-I74 WeakPolarHBondContact O-CA 3.46Å; S62-G75 PolarHBondContact N-O 3.25Å; S62-G75 PolarHBondContact O-N 3Å; S62-V101 WeakPolarHBondContact OG-CG1 3.48Å; S62-V101 PolarHBondContact OG-O 3.33Å
63	M	98.1	Very high	95.3	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.039	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.3	168.2	56.3	168.7	161.4	0	0	113.5	L72 A73 I74 D346 F347 L348 V366 L368	M63-L72 HydrophobicContact CB-CD1 4.47Å; M63-L72 HydrophobicContact SD-CD1 4.23Å; M63-A73 CarbonylContact C-O 3.6Å; M63-A73 WeakPolarHBondContact CA-O 3.27Å; M63-A73 VanDerWaalsContact CB-O 3.26Å; M63-A73 WeakPolarHBondContact CB-O 2.95Å; M63-I74 HydrophobicContact CB-CG1 4.38Å; M63-D346 HydrophobicContact CE-CB 3.77Å; M63-D346 WeakPolarHBondContact CE-O 3.46Å; M63-D346 HydrophobicContact CG-CB 4.15Å; M63-F347 VanDerWaalsContact CE-N 3.3Å; M63-L348 HydrophobicContact CB-CD1 4.3Å; M63-L348 HydrophobicContact CE-CD1 4.41Å; M63-L348 HydrophobicContact CE-CG 4.08Å; M63-L348 HydrophobicContact CG-CD1 3.68Å; M63-L348 HydrophobicContact CG-CG 4.12Å; M63-L348 HydrophobicContact SD-CD1 3.74Å; M63-L348 HydrophobicContact SD-CG 4.07Å; M63-V366 HydrophobicContact SD-CG1 4.14Å; M63-L368 HydrophobicContact CB-CD2 4.05Å; M63-L368 HydrophobicContact CE-CB 3.5Å; M63-L368 HydrophobicContact CG-CB 4.39Å; M63-L368 HydrophobicContact CG-CD2 4.05Å; M63-L368 HydrophobicContact SD-CB 3.83Å; M63-L368 HydrophobicContact SD-CD2 4.43Å
64	A	98.1	Very high	95.6	Very high	8 Å²	8	18.1 Å²	18.1	7%	0.066	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.3	170.4	0	0	0	0	0	110.1	L72 A73 L104 F106	A64-L72 WeakPolarHBondContact O-CD1 3.37Å; A64-A73 PolarHBondContact N-O 2.69Å; A64-A73 PolarHBondContact O-N 3.1Å; A64-L104 HydrophobicContact CB-CB 3.56Å; A64-F106 HydrophobicContact CB-CD2 3.72Å; A64-F106 HydrophobicContact CB-CE2 3.97Å; A64-F106 WeakPolarHBondContact O-CE2 3.29Å
65	F	97.6	Very high	96	Very high	25 Å²	25	18.1 Å²	18.1	11%	0.11	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.2	178.3	-179.7	-109.4	0	0	0	110.7	P67 K70 I71 L72 L348 L350 I435	F65-P67 HydrophobicContact CD1-CB 4.17Å; F65-P67 HydrophobicContact CE1-CB 3.9Å; F65-P67 WeakPolarHBondContact O-CD 3.49Å; F65-K70 HydrophobicContact CZ-CB 4.29Å; F65-I71 WeakPolarHBondContact CA-O 3.46Å; F65-I71 VanDerWaalsContact CD2-O 3.26Å; F65-I71 WeakPolarHBondContact CD2-O 3.5Å; F65-L72 HydrophobicContact CB-CD1 4.38Å; F65-L72 HydrophobicContact CD2-CB 4.3Å; F65-L72 HydrophobicContact CD2-CD1 4.5Å; F65-L348 HydrophobicContact CB-CD1 4.15Å; F65-L350 HydrophobicContact CD1-CD2 3.49Å; F65-L350 VanDerWaalsContact CD1-CD2 3.49Å; F65-L350 HydrophobicContact CD2-CD2 4.41Å; F65-L350 HydrophobicContact CE1-CD1 4.45Å; F65-L350 HydrophobicContact CE1-CD2 3.6Å; F65-L350 HydrophobicContact CE1-CG 4.46Å; F65-L350 HydrophobicContact CG-CD2 3.91Å; F65-L350 HydrophobicContact CZ-CD1 4.36Å; F65-L350 HydrophobicContact CZ-CD2 4.15Å; F65-I435 HydrophobicContact CE2-CG1 4.34Å; F65-I435 HydrophobicContact CE2-CG2 4.44Å
66	D	96.4	Very high	96.3	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.5	167.5	-175.6	-31.6	0	0	0	108.5	V68 Q69 K70 I71 F106 I108 N109	D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 3.01Å; D66-V68 PolarHBondContact OD1-N 2.93Å; D66-Q69 HydrophobicContact CB-CB 4.05Å; D66-Q69 PolarHBondContact OD1-N 3.14Å; D66-Q69 WeakPolarHBondContact OD2-CG 3.06Å; D66-K70 WeakPolarHBondContact O-CA 3.25Å; D66-K70 PolarHBondContact O-N 3.25Å; D66-I71 PolarHBondContact N-O 3.08Å; D66-I71 PolarHBondContact O-N 2.89Å; D66-F106 HydrophobicContact CB-CB 4.23Å; D66-F106 HydrophobicContact CB-CD1 4.08Å; D66-F106 HydrophobicContact CB-CD2 4.12Å; D66-F106 HydrophobicContact CB-CE1 4.43Å; D66-F106 HydrophobicContact CB-CE2 4.48Å; D66-F106 HydrophobicContact CB-CG 3.9Å; D66-I108 HydrophobicContact CB-CD1 4.49Å; D66-N109 PolarHBondContact OD2-N 3.48Å
67	P	94.1	Very high	96.6	Very high	32 Å²	32	23 Å²	23	21%	0.208	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-18.7	-177.1	31.9	-36.2	0	0	0	114.2	F65 I108 P354	F65-P67 HydrophobicContact CD1-CB 4.17Å; F65-P67 HydrophobicContact CE1-CB 3.9Å; F65-P67 WeakPolarHBondContact O-CD 3.49Å; P67-I108 HydrophobicContact CG-CG2 4.31Å; P67-P354 HydrophobicContact CG-CB 3.93Å
68	V	93	Very high	96.7	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-49.7	178	-176.8	0	0	0	0	109.5	D66 K70 I108 N109 P354 V1035 T1037	D66-V68 VanDerWaalsContact C-N 3.29Å; D66-V68 PolarHBondContact O-N 3.01Å; D66-V68 PolarHBondContact OD1-N 2.93Å; V68-K70 VanDerWaalsContact C-N 3.29Å; V68-K70 PolarHBondContact O-N 3.17Å; V68-I108 HydrophobicContact CB-CG2 4.36Å; V68-I108 HydrophobicContact CG2-CG2 3.78Å; V68-N109 HydrophobicContact CB-CB 3.91Å; V68-N109 HydrophobicContact CG1-CB 3.82Å; V68-N109 VanDerWaalsContact CG1-CG 3.47Å; V68-N109 WeakPolarHBondContact CG1-OD1 3.39Å; V68-N109 HydrophobicContact CG2-CB 4.31Å; V68-P354 HydrophobicContact CG2-CB 4.5Å; V68-P354 HydrophobicContact CG2-CG 4.18Å; V68-V1035 HydrophobicContact CG1-CB 4.18Å; V68-V1035 HydrophobicContact CG1-CG1 3.83Å; V68-T1037 HydrophobicContact CG2-CG2 4.49Å
69	Q	94.4	Very high	96.9	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.9	176.9	-68.7	-68.1	-53.4	0	0	112.8	D66 I71 N109 G437 F1032 T1033	D66-Q69 HydrophobicContact CB-CB 4.05Å; D66-Q69 PolarHBondContact OD1-N 3.14Å; D66-Q69 WeakPolarHBondContact OD2-CG 3.06Å; Q69-I71 HydrophobicContact CB-CD1 3.72Å; Q69-I71 HydrophobicContact CB-CG1 3.87Å; Q69-I71 HydrophobicContact CG-CD1 4.43Å; Q69-N109 PolarHBondContact NE2-OD1 3.13Å; Q69-G437 WeakPolarHBondContact O-CA 3.44Å; Q69-F1032 HydrophobicContact CG-CD2 3.98Å; Q69-F1032 HydrophobicContact CG-CE2 4.08Å; Q69-T1033 PolarHBondContact NE2-O 3.16Å; Q69-T1033 PolarHBondContact OE1-O 2.95Å
70	K	95.9	Very high	96.9	Very high	90 Å²	90	18.5 Å²	18.5	39%	0.391	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	45.2	-173.1	-54.7	-175.7	-179	-178.4	0	113.1	F65 D66 V68 I435 S436 G437	F65-K70 HydrophobicContact CZ-CB 4.29Å; D66-K70 WeakPolarHBondContact O-CA 3.25Å; D66-K70 PolarHBondContact O-N 3.25Å; V68-K70 VanDerWaalsContact C-N 3.29Å; V68-K70 PolarHBondContact O-N 3.17Å; K70-I435 WeakPolarHBondContact O-CG2 3.21Å; K70-S436 WeakPolarHBondContact CD-OG 3.49Å; K70-S436 PolarHBondContact O-N 2.92Å; K70-G437 PolarHBondContact O-N 3.42Å
71	I	96.3	Very high	96.9	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.9	178.8	-57.7	169.8	0	0	0	109.2	F65 D66 Q69 L83 F84 F106 L1031	F65-I71 WeakPolarHBondContact CA-O 3.46Å; F65-I71 VanDerWaalsContact CD2-O 3.26Å; F65-I71 WeakPolarHBondContact CD2-O 3.5Å; D66-I71 PolarHBondContact N-O 3.08Å; D66-I71 PolarHBondContact O-N 2.89Å; Q69-I71 HydrophobicContact CB-CD1 3.72Å; Q69-I71 HydrophobicContact CB-CG1 3.87Å; Q69-I71 HydrophobicContact CG-CD1 4.43Å; I71-L83 HydrophobicContact CG2-CB 4.44Å; I71-F84 WeakPolarHBondContact CA-O 3.48Å; I71-F106 HydrophobicContact CB-CZ 4.48Å; I71-F106 HydrophobicContact CG2-CZ 4.13Å; I71-L1031 HydrophobicContact CD1-CB 4.24Å; I71-L1031 WeakPolarHBondContact CD1-O 3.42Å; I71-L1031 HydrophobicContact CG2-CD2 4.43Å
72	L	97.8	Very high	96.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136	172.5	-179.2	75	0	0	0	109.7	M63 A64 F65 I74 L83 F84 V366 L373 I435	M63-L72 HydrophobicContact CB-CD1 4.47Å; M63-L72 HydrophobicContact SD-CD1 4.23Å; A64-L72 WeakPolarHBondContact O-CD1 3.37Å; F65-L72 HydrophobicContact CB-CD1 4.38Å; F65-L72 HydrophobicContact CD2-CB 4.3Å; F65-L72 HydrophobicContact CD2-CD1 4.5Å; L72-I74 HydrophobicContact CD2-CD1 4.09Å; L72-I74 HydrophobicContact CD2-CG1 4.15Å; L72-I74 HydrophobicContact CG-CG1 4.32Å; L72-L83 CarbonylContact O-C 3.58Å; L72-L83 VanDerWaalsContact O-CA 3.29Å; L72-L83 WeakPolarHBondContact O-CA 3.49Å; L72-F84 HydrophobicContact CB-CB 4.45Å; L72-F84 PolarHBondContact N-O 3.26Å; L72-F84 PolarHBondContact O-N 2.89Å; L72-V366 HydrophobicContact CD1-CG1 4.32Å; L72-V366 HydrophobicContact CD2-CG1 4.3Å; L72-L373 HydrophobicContact CD2-CD1 4.21Å; L72-L373 HydrophobicContact CD2-CD2 3.81Å; L72-I435 HydrophobicContact CB-CD1 3.88Å; L72-I435 HydrophobicContact CB-CG1 4.48Å; L72-I435 HydrophobicContact CB-CG2 3.92Å; L72-I435 HydrophobicContact CD2-CD1 3.69Å; L72-I435 HydrophobicContact CG-CD1 4.32Å
73	A	98.2	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	168.3	0	0	0	0	0	110.1	M63 A64 R82 L83 L104 F106 L113	M63-A73 CarbonylContact C-O 3.6Å; M63-A73 WeakPolarHBondContact CA-O 3.27Å; M63-A73 VanDerWaalsContact CB-O 3.26Å; M63-A73 WeakPolarHBondContact CB-O 2.95Å; A64-A73 PolarHBondContact N-O 2.69Å; A64-A73 PolarHBondContact O-N 3.1Å; A73-R82 CarbonylContact C-O 3.59Å; A73-R82 WeakPolarHBondContact CA-O 3.39Å; A73-L83 HydrophobicContact CB-CD2 4.27Å; A73-L83 HydrophobicContact CB-CG 4.28Å; A73-L104 HydrophobicContact CB-CD1 4.05Å; A73-F106 HydrophobicContact CB-CE2 3.72Å; A73-F106 HydrophobicContact CB-CZ 3.63Å; A73-L113 HydrophobicContact CB-CD2 4.04Å
74	I	98.4	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.2	175.2	-60.3	177.2	0	0	0	108.5	P57 P60 S62 M63 L72 L81 R82 F84 L368 L373	P57-I74 HydrophobicContact CB-CG2 4.34Å; P57-I74 HydrophobicContact CG-CB 4.25Å; P57-I74 HydrophobicContact CG-CD1 4.16Å; P57-I74 HydrophobicContact CG-CG2 3.83Å; P60-I74 HydrophobicContact CB-CG2 3.92Å; S62-I74 WeakPolarHBondContact O-CA 3.46Å; M63-I74 HydrophobicContact CB-CG1 4.38Å; L72-I74 HydrophobicContact CD2-CD1 4.09Å; L72-I74 HydrophobicContact CD2-CG1 4.15Å; L72-I74 HydrophobicContact CG-CG1 4.32Å; I74-L81 CarbonylContact O-C 3.6Å; I74-L81 WeakPolarHBondContact O-CA 3.49Å; I74-R82 HydrophobicContact CB-CB 4.46Å; I74-R82 PolarHBondContact N-O 3.33Å; I74-R82 PolarHBondContact O-N 3.28Å; I74-F84 HydrophobicContact CD1-CD2 4.28Å; I74-F84 HydrophobicContact CD1-CE2 3.81Å; I74-F84 HydrophobicContact CG1-CE2 4.3Å; I74-L368 HydrophobicContact CD1-CD1 3.81Å; I74-L368 HydrophobicContact CG1-CD1 4.35Å; I74-L368 HydrophobicContact CG2-CD1 4.12Å; I74-L368 HydrophobicContact CG2-CD2 4.13Å; I74-L373 HydrophobicContact CD1-CD1 4.35Å
75	G	98.3	Very high	96.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	153	171.8	0	0	0	0	0	111.9	P60 S61 S62 A80	P60-G75 WeakPolarHBondContact CA-O 3.38Å; S61-G75 PolarHBondContact N-O 3Å; S61-G75 PolarHBondContact OG-O 3.48Å; S62-G75 PolarHBondContact N-O 3.25Å; S62-G75 PolarHBondContact O-N 3Å; G75-A80 CarbonylContact C-O 3.59Å; G75-A80 WeakPolarHBondContact CA-O 3.38Å
76	T	98.4	Very high	95.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165.7	179	74.3	0	0	0	0	113.3	P57 Q59 S61 S78 G79 A80 V101	P57-T76 HydrophobicContact CB-CG2 3.77Å; Q59-T76 WeakPolarHBondContact O-CA 3.43Å; Q59-T76 WeakPolarHBondContact O-CB 3.48Å; S61-T76 WeakPolarHBondContact OG-CA 3.26Å; S61-T76 PolarHBondContact OG-O 2.84Å; T76-S78 PolarHBondContact O-N 3.11Å; T76-S78 PolarHBondContact OG1-N 3.11Å; T76-S78 PolarHBondContact OG1-OG 2.98Å; T76-G79 PolarHBondContact O-N 3.37Å; T76-A80 HydrophobicContact CG2-CB 4.07Å; T76-A80 PolarHBondContact N-O 2.84Å; T76-A80 VanDerWaalsContact OG1-CB 3.32Å; T76-A80 WeakPolarHBondContact OG1-CB 3.37Å; T76-A80 PolarHBondContact OG1-N 2.88Å; T76-V101 PolarHBondContact O-N 3.44Å
77	Q	97.8	Very high	95.4	Very high	103 Å²	103	21.2 Å²	21.2	48%	0.481	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.5	172.7	-65.5	-176.9	13.8	0	0	113.7	Q59 A100	Q59-Q77 HydrophobicContact CB-CB 4.07Å; Q59-Q77 HydrophobicContact CB-CG 4.05Å; Q59-Q77 PolarHBondContact O-N 2.88Å; Q77-A100 HydrophobicContact CB-CB 4.35Å; Q77-A100 WeakPolarHBondContact O-CA 3.28Å; Q77-A100 WeakPolarHBondContact O-CB 3.45Å; Q77-A100 PolarHBondContact O-N 2.95Å
78	S	95.6	Very high	94.8	Very high	48 Å²	48	20.4 Å²	20.4	34%	0.336	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	13.8	178	58.4	0	0	0	0	113.8	T76 A80 Q94 G98	T76-S78 PolarHBondContact O-N 3.11Å; T76-S78 PolarHBondContact OG1-N 3.11Å; T76-S78 PolarHBondContact OG1-OG 2.98Å; S78-A80 PolarHBondContact O-N 2.69Å; S78-Q94 PolarHBondContact O-NE2 2.9Å; S78-G98 CarbonylContact C-O 3.49Å; S78-G98 WeakPolarHBondContact CA-O 3.47Å; S78-G98 WeakPolarHBondContact O-CA 3.45Å
79	G	96.6	Very high	94.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	71.8	15.4	-179.7	0	0	0	0	0	114	T76 H95 A99	T76-G79 PolarHBondContact O-N 3.37Å; G79-H95 PolarHBondContact O-N 2.84Å; G79-H95 PolarHBondContact O-ND1 2.87Å; G79-A99 WeakPolarHBondContact CA-O 3.34Å; G79-A99 PolarHBondContact N-O 3.04Å
80	A	96.6	Very high	94.4	Very high	4 Å²	4	21 Å²	21	3%	0.033	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	152	174.4	0	0	0	0	0	111.6	G75 T76 S78 Y92 C93 Q94	G75-A80 CarbonylContact C-O 3.59Å; G75-A80 WeakPolarHBondContact CA-O 3.38Å; T76-A80 HydrophobicContact CG2-CB 4.07Å; T76-A80 PolarHBondContact N-O 2.84Å; T76-A80 VanDerWaalsContact OG1-CB 3.32Å; T76-A80 WeakPolarHBondContact OG1-CB 3.37Å; T76-A80 PolarHBondContact OG1-N 2.88Å; S78-A80 PolarHBondContact O-N 2.69Å; A80-Y92 HydrophobicContact CB-CD2 4.46Å; A80-Y92 HydrophobicContact CB-CE2 3.56Å; A80-C93 WeakPolarHBondContact CA-O 3.41Å; A80-Q94 HydrophobicContact CB-CG 4.36Å
81	L	96.9	Very high	94.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.8	169.1	-58.9	179.9	0	0	0	109.1	I74 Y92 C93 V101 L104 L113 W125	I74-L81 CarbonylContact O-C 3.6Å; I74-L81 WeakPolarHBondContact O-CA 3.49Å; L81-Y92 WeakPolarHBondContact O-CA 3.13Å; L81-C93 PolarHBondContact N-O 2.86Å; L81-C93 PolarHBondContact O-N 3.48Å; L81-V101 HydrophobicContact CD2-CG1 4.23Å; L81-V101 HydrophobicContact CD2-CG2 4Å; L81-L104 HydrophobicContact CD2-CD1 4.16Å; L81-L104 HydrophobicContact CD2-CD2 3.71Å; L81-L113 HydrophobicContact CD1-CD2 4.22Å; L81-W125 HydrophobicContact CD1-CD2 3.97Å; L81-W125 VanDerWaalsContact CD1-CE2 3.46Å; L81-W125 HydrophobicContact CD1-CG 4.34Å; L81-W125 HydrophobicContact CD1-CH2 4.4Å; L81-W125 HydrophobicContact CD1-CZ2 3.71Å
82	R	94.8	Very high	94	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.011	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.2	169.8	-69.5	-68.7	-63.8	-124.9	12.1	108.7	R53 P57 A73 I74 F84 E90 C91 E1010	R53-R82 VanDerWaalsContact CG-NH1 3.31Å; R53-R82 VanDerWaalsContact O-CZ 3.3Å; R53-R82 PolarHBondContact O-NH1 3.46Å; R53-R82 PolarHBondContact O-NH2 3.41Å; P57-R82 HydrophobicContact CB-CB 4.46Å; P57-R82 HydrophobicContact CB-CG 3.72Å; P57-R82 HydrophobicContact CG-CB 4.08Å; P57-R82 HydrophobicContact CG-CG 3.79Å; A73-R82 CarbonylContact C-O 3.59Å; A73-R82 WeakPolarHBondContact CA-O 3.39Å; I74-R82 HydrophobicContact CB-CB 4.46Å; I74-R82 PolarHBondContact N-O 3.33Å; I74-R82 PolarHBondContact O-N 3.28Å; R82-F84 HydrophobicContact CB-CD2 4.41Å; R82-F84 HydrophobicContact CB-CE2 3.5Å; R82-F84 VanDerWaalsContact CB-CE2 3.5Å; R82-F84 HydrophobicContact CB-CZ 3.83Å; R82-F84 HydrophobicContact CG-CZ 4.45Å; R82-E90 IonicContact CZ-OE2 2.6Å; R82-E90 IonicContact NH2-OE2 3.05Å; R82-E90 PolarHBondContact NH2-OE2 2.9Å; R82-C91 WeakPolarHBondContact CA-O 3.42Å; R82-E1010 IonicContact CZ-OE1 3.95Å; R82-E1010 IonicContact NH1-OE1 3.63Å; R82-E1010 PolarHBondContact NH1-OE1 3.34Å
83	L	95.3	Very high	93.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.4	175.3	-57.1	100.5	0	0	0	109.9	I71 L72 A73 E90 C91 F106 L113 L127 P132 L1031	I71-L83 HydrophobicContact CG2-CB 4.44Å; L72-L83 CarbonylContact O-C 3.58Å; L72-L83 VanDerWaalsContact O-CA 3.29Å; L72-L83 WeakPolarHBondContact O-CA 3.49Å; A73-L83 HydrophobicContact CB-CD2 4.27Å; A73-L83 HydrophobicContact CB-CG 4.28Å; L83-E90 CarbonylContact O-C 3.49Å; L83-E90 VanDerWaalsContact O-CA 3.27Å; L83-E90 WeakPolarHBondContact O-CA 3.43Å; L83-C91 HydrophobicContact CB-CB 4.36Å; L83-C91 HydrophobicContact CD1-CB 4.22Å; L83-C91 PolarHBondContact N-O 2.8Å; L83-C91 PolarHBondContact O-N 2.83Å; L83-F106 HydrophobicContact CD2-CZ 4.45Å; L83-L113 HydrophobicContact CD2-CD2 4.3Å; L83-L127 HydrophobicContact CD2-CD1 3.86Å; L83-L127 HydrophobicContact CD2-CD2 3.84Å; L83-P132 HydrophobicContact CD1-CG 4.19Å; L83-L1031 HydrophobicContact CB-CD1 4.2Å; L83-L1031 HydrophobicContact CB-CD2 3.88Å; L83-L1031 HydrophobicContact CD1-CD1 4.4Å; L83-L1031 HydrophobicContact CD2-CD1 4.19Å
84	F	93.9	Very high	93.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.6	-177.2	-59.4	-85.6	0	0	0	110	I71 L72 I74 R82 E90 Y390 L392 I435	I71-F84 WeakPolarHBondContact CA-O 3.48Å; L72-F84 HydrophobicContact CB-CB 4.45Å; L72-F84 PolarHBondContact N-O 3.26Å; L72-F84 PolarHBondContact O-N 2.89Å; I74-F84 HydrophobicContact CD1-CD2 4.28Å; I74-F84 HydrophobicContact CD1-CE2 3.81Å; I74-F84 HydrophobicContact CG1-CE2 4.3Å; R82-F84 HydrophobicContact CB-CD2 4.41Å; R82-F84 HydrophobicContact CB-CE2 3.5Å; R82-F84 VanDerWaalsContact CB-CE2 3.5Å; R82-F84 HydrophobicContact CB-CZ 3.83Å; R82-F84 HydrophobicContact CG-CZ 4.45Å; F84-E90 HydrophobicContact CD1-CB 4.38Å; F84-Y390 HydrophobicContact CB-CE2 4.38Å; F84-Y390 HydrophobicContact CD1-CD1 4.14Å; F84-Y390 HydrophobicContact CD1-CE1 4.04Å; F84-Y390 HydrophobicContact CD1-CE2 4.48Å; F84-Y390 HydrophobicContact CD1-CG 4.4Å; F84-L392 HydrophobicContact CE1-CD2 3.9Å; F84-L392 HydrophobicContact CZ-CD2 4.14Å; F84-I435 WeakPolarHBondContact O-CG2 3.49Å
85	G	93.3	Very high	93.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			trans	-107.3	-127.4	174.1	0	0	0	0	0	110.9	V89 Y390 I435 G437	G85-V89 PolarHBondContact N-O 3.05Å; G85-Y390 PolarHBondContact N-OH 3.09Å; G85-Y390 PolarHBondContact O-OH 3.47Å; G85-I435 CarbonylContact C-O 3.55Å; G85-I435 CarbonylContact O-C 3.57Å; G85-I435 WeakPolarHBondContact O-CG2 3.05Å; G85-G437 CarbonylContact C-O 3.57Å; G85-G437 VanDerWaalsContact CA-O 3.25Å; G85-G437 WeakPolarHBondContact CA-O 3.01Å
86	R	91.6	Very high	93	Very high	103 Å²	103	34.1 Å²	34.1	39%	0.389	17%	0.17	S	C	.	.	S	Bend	trans	-75.9	161.2	162.1	63.4	-176.7	51.8	-173.2	-5	111.2	G88 V89 Y390 S436 G437 G438	R86-G88 PolarHBondContact O-N 3.5Å; R86-V89 HydrophobicContact CG-CB 4.21Å; R86-V89 HydrophobicContact CG-CG2 3.54Å; R86-V89 WeakPolarHBondContact O-CA 3.38Å; R86-V89 WeakPolarHBondContact O-CB 3.45Å; R86-V89 PolarHBondContact O-N 2.84Å; R86-Y390 PolarHBondContact O-OH 3.29Å; R86-Y390 VanDerWaalsContact O-OH 3.09Å; R86-S436 PolarHBondContact NE-O 3.25Å; R86-S436 PolarHBondContact NH2-O 2.83Å; R86-G437 WeakPolarHBondContact CG-O 3.1Å; R86-G437 PolarHBondContact N-O 3.44Å; R86-G438 WeakPolarHBondContact CD-O 3.47Å; R86-G438 PolarHBondContact NE-O 2.81Å
87	P	85.8	Confident	92.8	Very high	37 Å²	37	37 Å²	37	24%	0.24	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	128.6	176.8	-27.1	36.7	0	0	0	111.3	P389 W440 M469	P87-P389 HydrophobicContact CB-CB 4.29Å; P87-P389 HydrophobicContact CG-CB 3.54Å; P87-P389 HydrophobicContact CG-CG 3.64Å; P87-W440 PolarHBondContact O-NE1 3.43Å; P87-M469 HydrophobicContact CB-CE 4.46Å; P87-M469 HydrophobicContact CB-SD 3.48Å; P87-M469 WeakPolarHBondContact CB-SD 3.5Å
88	G	82.7	Confident	92.6	Very high	16 Å²	16	33.7 Å²	33.7	17%	0.165	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-11.7	-173.3	0	0	0	0	0	115.8	R86 M469	R86-G88 PolarHBondContact O-N 3.5Å; G88-M469 PolarHBondContact N-SD 2.9Å; G88-M469 VanDerWaalsContact N-SD 3.39Å
89	V	89.4	Confident	92.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	18%	0.176	C	C	.	.			trans	-102.2	92.2	171.5	-175.1	0	0	0	0	108.6	G85 R86 N439 L1031	G85-V89 PolarHBondContact N-O 3.05Å; R86-V89 HydrophobicContact CG-CB 4.21Å; R86-V89 HydrophobicContact CG-CG2 3.54Å; R86-V89 WeakPolarHBondContact O-CA 3.38Å; R86-V89 WeakPolarHBondContact O-CB 3.45Å; R86-V89 PolarHBondContact O-N 2.84Å; V89-N439 WeakPolarHBondContact CG2-O 3.04Å; V89-L1031 HydrophobicContact CG1-CD2 4.01Å
90	E	89	Confident	92.8	Very high	27 Å²	27	33.6 Å²	33.6	13%	0.126	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.7	173.7	65.2	175.6	168.4	0	0	111.5	H54 R82 L83 F84	H54-E90 IonicContact ND1-OE1 3.35Å; H54-E90 PolarHBondContact ND1-OE1 3.01Å; R82-E90 IonicContact CZ-OE2 2.6Å; R82-E90 IonicContact NH2-OE2 3.05Å; R82-E90 PolarHBondContact NH2-OE2 2.9Å; L83-E90 CarbonylContact O-C 3.49Å; L83-E90 VanDerWaalsContact O-CA 3.27Å; L83-E90 WeakPolarHBondContact O-CA 3.43Å; F84-E90 HydrophobicContact CD1-CB 4.38Å
91	C	90.4	Very high	92.9	Very high	18 Å²	18	33.4 Å²	33.4	12%	0.122	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.4	176.5	-173.7	0	0	0	0	111.6	R82 L83 P132 L1031	R82-C91 WeakPolarHBondContact CA-O 3.42Å; L83-C91 HydrophobicContact CB-CB 4.36Å; L83-C91 HydrophobicContact CD1-CB 4.22Å; L83-C91 PolarHBondContact N-O 2.8Å; L83-C91 PolarHBondContact O-N 2.83Å; C91-P132 WeakPolarHBondContact SG-CD 3.45Å; C91-P132 VanDerWaalsContact SG-CG 3.59Å; C91-L1031 HydrophobicContact CB-CD1 3.82Å; C91-L1031 HydrophobicContact CB-CD2 4.36Å; C91-L1031 HydrophobicContact CB-CG 4.38Å
92	Y	92.6	Very high	92.9	Very high	53 Å²	53	36.4 Å²	36.4	21%	0.208	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	171.1	172	-93.3	0	0	0	110.1	R53 A80 L81 Q94	R53-Y92 PolarHBondContact NH1-OH 2.89Å; R53-Y92 VanDerWaalsContact NH1-OH 3.13Å; R53-Y92 VanDerWaalsContact NH2-CE1 3.34Å; R53-Y92 PolarHBondContact NH2-OH 2.62Å; A80-Y92 HydrophobicContact CB-CD2 4.46Å; A80-Y92 HydrophobicContact CB-CE2 3.56Å; L81-Y92 WeakPolarHBondContact O-CA 3.13Å; Y92-Q94 HydrophobicContact CE1-CB 4.33Å; Y92-Q94 PolarHBondContact OH-OE1 2.62Å
93	C	92.8	Very high	93.1	Very high	14 Å²	14	38 Å²	38	10%	0.095	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	167	164.6	53.5	0	0	0	0	110.1	A80 L81 W125	A80-C93 WeakPolarHBondContact CA-O 3.41Å; L81-C93 PolarHBondContact N-O 2.86Å; L81-C93 PolarHBondContact O-N 3.48Å; C93-W125 HydrophobicContact CB-CH2 4.02Å; C93-W125 HydrophobicContact CB-CZ3 3.74Å; C93-W125 VanDerWaalsContact SG-CZ3 3.54Å
94	Q	93.5	Very high	93.2	Very high	90 Å²	90	38.2 Å²	38.2	42%	0.421	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.1	-177.3	-169.5	174.7	17.3	0	0	110.7	S78 A80 Y92	S78-Q94 PolarHBondContact O-NE2 2.9Å; A80-Q94 HydrophobicContact CB-CG 4.36Å; Y92-Q94 HydrophobicContact CE1-CB 4.33Å; Y92-Q94 PolarHBondContact OH-OE1 2.62Å
95	H	94.9	Very high	93.4	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.032	22%	0.218	C	C	.	.			trans	-73.4	140.3	172.4	-59.6	84.6	0	0	0	110.3	G79 S97 G98 S115 L117 H123 W125	G79-H95 PolarHBondContact O-N 2.84Å; G79-H95 PolarHBondContact O-ND1 2.87Å; H95-S97 PolarHBondContact O-N 2.78Å; H95-G98 PolarHBondContact O-N 2.81Å; H95-G98 VanDerWaalsContact O-N 3.16Å; H95-S115 PolarHBondContact CE1-OG 2.86Å; H95-S115 PolarHBondContact NE2-OG 2.93Å; H95-L117 HydrophobicContact CB-CD2 3.89Å; H95-H123 AromaticContact CD2-CD2 3.48Å; H95-H123 PolarHBondContact CD2-CD2 2.81Å; H95-H123 VanDerWaalsContact CD2-CD2 3.48Å; H95-H123 AromaticContact CD2-CG 3.72Å; H95-H123 AromaticContact CD2-NE2 3.78Å; H95-H123 AromaticContact NE2-CD2 3.8Å; H95-W125 AromaticContact CD2-CZ2 3.59Å; H95-W125 AromaticContact CE1-CZ2 3.64Å; H95-W125 AromaticContact CE1-NE1 3.91Å; H95-W125 AromaticContact CG-CZ2 3.97Å; H95-W125 AromaticContact ND1-CZ2 3.99Å; H95-W125 AromaticContact NE2-CE2 3.59Å; H95-W125 AromaticContact NE2-CZ2 3.36Å; H95-W125 WeakPolarHBondContact NE2-CZ2 3.4Å; H95-W125 AromaticContact NE2-NE1 3.26Å; H95-W125 PolarHBondContact NE2-NE1 2.86Å
96	E	91.9	Very high	93.5	Very high	188 Å²	188	40.8 Å²	40.8	88%	0.879	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.4	-179.8	-64.7	-175.8	169.1	0	0	113.3	G98	E96-G98 PolarHBondContact O-N 3Å
97	S	93.1	Very high	93.6	Very high	63 Å²	63	36.1 Å²	36.1	44%	0.441	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.1	179.1	64	0	0	0	0	113.5	H95 A99	H95-S97 PolarHBondContact O-N 2.78Å; S97-A99 PolarHBondContact O-N 3.11Å; S97-A99 VanDerWaalsContact O-N 3.13Å; S97-A99 PolarHBondContact OG-N 3.26Å
98	G	94.6	Very high	93.9	Very high	32 Å²	32	35.9 Å²	35.9	33%	0.33	20%	0.199	S	C	.	.			trans	63.1	9.8	-172.8	0	0	0	0	0	114.8	S78 H95 E96	S78-G98 CarbonylContact C-O 3.49Å; S78-G98 WeakPolarHBondContact CA-O 3.47Å; S78-G98 WeakPolarHBondContact O-CA 3.45Å; H95-G98 PolarHBondContact O-N 2.81Å; H95-G98 VanDerWaalsContact O-N 3.16Å; E96-G98 PolarHBondContact O-N 3Å
99	A	97.1	Very high	94.3	Very high	21 Å²	21	36.2 Å²	36.2	17%	0.174	20%	0.197	C	C	.	.			trans	-76.6	148.5	-178	0	0	0	0	0	112	G79 S97 V101 L117 D119	G79-A99 WeakPolarHBondContact CA-O 3.34Å; G79-A99 PolarHBondContact N-O 3.04Å; S97-A99 PolarHBondContact O-N 3.11Å; S97-A99 VanDerWaalsContact O-N 3.13Å; S97-A99 PolarHBondContact OG-N 3.26Å; A99-V101 PolarHBondContact O-N 3.31Å; A99-L117 HydrophobicContact CB-CB 4.42Å; A99-L117 HydrophobicContact CB-CD2 4.21Å; A99-D119 HydrophobicContact CB-CB 3.74Å
100	A	98.3	Very high	94.2	Very high	25 Å²	25	37.3 Å²	37.3	21%	0.207	20%	0.202	C	C	.	.			trans	-56.7	133.7	-177.1	0	0	0	0	0	112.6	Q77 I102 L117 A118	Q77-A100 HydrophobicContact CB-CB 4.35Å; Q77-A100 WeakPolarHBondContact O-CA 3.28Å; Q77-A100 WeakPolarHBondContact O-CB 3.45Å; Q77-A100 PolarHBondContact O-N 2.95Å; A100-I102 PolarHBondContact O-N 3.38Å; A100-L117 CarbonylContact O-C 3.35Å; A100-L117 VanDerWaalsContact O-CA 3.23Å; A100-L117 WeakPolarHBondContact O-CA 3.39Å; A100-A118 HydrophobicContact CB-CB 4.05Å; A100-A118 PolarHBondContact O-N 3.49Å
101	V	98.6	Very high	94.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110	174.4	-173.2	0	0	0	0	108.8	S61 S62 T76 L81 A99 L104	S61-V101 WeakPolarHBondContact CB-O 3.47Å; S61-V101 PolarHBondContact OG-O 2.93Å; S62-V101 WeakPolarHBondContact OG-CG1 3.48Å; S62-V101 PolarHBondContact OG-O 3.33Å; T76-V101 PolarHBondContact O-N 3.44Å; L81-V101 HydrophobicContact CD2-CG1 4.23Å; L81-V101 HydrophobicContact CD2-CG2 4Å; A99-V101 PolarHBondContact O-N 3.31Å; V101-L104 HydrophobicContact CG1-CD2 3.76Å; V101-L104 HydrophobicContact CG1-CG 3.9Å
102	I	97.4	Very high	94.2	Very high	64 Å²	64	35.8 Å²	35.8	33%	0.328	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-29.1	-177	59	166.8	0	0	0	112.6	A100 A116 A118 I145	A100-I102 PolarHBondContact O-N 3.38Å; I102-A116 HydrophobicContact CD1-CB 4.29Å; I102-A116 HydrophobicContact CG1-CB 3.98Å; I102-A116 WeakPolarHBondContact CG1-O 3.45Å; I102-A116 PolarHBondContact N-O 3.41Å; I102-A118 HydrophobicContact CG2-CB 3.9Å; I102-I145 HydrophobicContact CD1-CB 4.26Å; I102-I145 HydrophobicContact CD1-CG2 4.07Å
103	Q	98	Very high	94.4	Very high	38 Å²	38	33.2 Å²	33.2	18%	0.178	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	151.2	177.7	-158.7	168.5	16.6	0	0	112.2	A116 C148	Q103-A116 PolarHBondContact N-O 2.78Å; Q103-A116 PolarHBondContact O-N 3.3Å; Q103-C148 PolarHBondContact NE2-O 3.37Å; Q103-C148 PolarHBondContact OE1-O 2.92Å
104	L	98.6	Very high	94.6	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.6	176.8	-69.3	174	0	0	0	110.1	A64 A73 L81 V101 L113 V114	A64-L104 HydrophobicContact CB-CB 3.56Å; A73-L104 HydrophobicContact CB-CD1 4.05Å; L81-L104 HydrophobicContact CD2-CD1 4.16Å; L81-L104 HydrophobicContact CD2-CD2 3.71Å; V101-L104 HydrophobicContact CG1-CD2 3.76Å; V101-L104 HydrophobicContact CG1-CG 3.9Å; L104-L113 HydrophobicContact CB-CD1 4.29Å; L104-L113 HydrophobicContact CD2-CD1 4.33Å; L104-L113 HydrophobicContact CD2-CD2 4.24Å; L104-L113 HydrophobicContact CD2-CG 4.39Å; L104-V114 CarbonylContact C-O 3.57Å; L104-V114 WeakPolarHBondContact CA-O 3.43Å
105	Q	97.4	Very high	94.9	Very high	46 Å²	46	28.4 Å²	28.4	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	115.4	177.4	-67.4	-67.5	-7.3	0	0	109.9	V114 C148 L150	Q105-V114 HydrophobicContact CB-CB 4.35Å; Q105-V114 PolarHBondContact N-O 3.02Å; Q105-V114 PolarHBondContact O-N 3.43Å; Q105-C148 PolarHBondContact NE2-O 3.03Å; Q105-L150 HydrophobicContact CB-CB 4.26Å
106	F	95.9	Very high	95	Very high	10 Å²	10	28.1 Å²	28.1	4%	0.044	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.9	174.1	-83	-80.1	0	0	0	110.9	A64 D66 I71 A73 L83 I108 L113 L127	A64-F106 HydrophobicContact CB-CD2 3.72Å; A64-F106 HydrophobicContact CB-CE2 3.97Å; A64-F106 WeakPolarHBondContact O-CE2 3.29Å; D66-F106 HydrophobicContact CB-CB 4.23Å; D66-F106 HydrophobicContact CB-CD1 4.08Å; D66-F106 HydrophobicContact CB-CD2 4.12Å; D66-F106 HydrophobicContact CB-CE1 4.43Å; D66-F106 HydrophobicContact CB-CE2 4.48Å; D66-F106 HydrophobicContact CB-CG 3.9Å; I71-F106 HydrophobicContact CB-CZ 4.48Å; I71-F106 HydrophobicContact CG2-CZ 4.13Å; A73-F106 HydrophobicContact CB-CE2 3.72Å; A73-F106 HydrophobicContact CB-CZ 3.63Å; L83-F106 HydrophobicContact CD2-CZ 4.45Å; F106-I108 VanDerWaalsContact C-N 3.32Å; F106-I108 HydrophobicContact CB-CD1 3.69Å; F106-I108 PolarHBondContact O-N 3.33Å; F106-L113 HydrophobicContact CD1-CB 4.24Å; F106-L113 HydrophobicContact CD1-CD1 3.97Å; F106-L113 HydrophobicContact CD2-CD1 4.05Å; F106-L113 HydrophobicContact CE1-CB 4.33Å; F106-L113 HydrophobicContact CE1-CD1 4.12Å; F106-L113 HydrophobicContact CE2-CD1 4.18Å; F106-L113 HydrophobicContact CG-CD1 3.95Å; F106-L113 HydrophobicContact CZ-CD1 4.22Å; F106-L127 HydrophobicContact CD1-CD1 4.14Å; F106-L127 HydrophobicContact CE1-CD1 3.54Å
107	L	93.3	Very high	95.3	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	95.9	154.1	-72.3	74.4	0	0	0	105.4	N109 E110 A112 V114 L124 L150 V171 L1099	L107-N109 PolarHBondContact O-N 3.21Å; L107-E110 HydrophobicContact CB-CB 3.71Å; L107-E110 WeakPolarHBondContact CD2-OE2 3.43Å; L107-E110 WeakPolarHBondContact O-CB 3.44Å; L107-E110 PolarHBondContact O-N 3.21Å; L107-A112 HydrophobicContact CB-CB 4.15Å; L107-A112 HydrophobicContact CD1-CB 4.04Å; L107-A112 HydrophobicContact CD2-CB 4.11Å; L107-A112 HydrophobicContact CG-CB 4.32Å; L107-A112 PolarHBondContact N-O 3.45Å; L107-V114 HydrophobicContact CD1-CG2 3.75Å; L107-L124 HydrophobicContact CD1-CD1 3.95Å; L107-L150 HydrophobicContact CD1-CD2 3.88Å; L107-L150 HydrophobicContact CG-CD2 3.87Å; L107-V171 HydrophobicContact CD2-CG2 3.95Å; L107-L1099 HydrophobicContact CD2-CD2 4.01Å
108	I	91.4	Very high	95.5	Very high	32 Å²	32	18.7 Å²	18.7	16%	0.164	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	125	-168.1	-53.5	-64.1	0	0	0	110.4	D66 P67 V68 F106 E110 F152 P354	D66-I108 HydrophobicContact CB-CD1 4.49Å; P67-I108 HydrophobicContact CG-CG2 4.31Å; V68-I108 HydrophobicContact CB-CG2 4.36Å; V68-I108 HydrophobicContact CG2-CG2 3.78Å; F106-I108 VanDerWaalsContact C-N 3.32Å; F106-I108 HydrophobicContact CB-CD1 3.69Å; F106-I108 PolarHBondContact O-N 3.33Å; I108-E110 PolarHBondContact O-N 2.81Å; I108-F152 HydrophobicContact CB-CD2 3.63Å; I108-F152 HydrophobicContact CB-CE2 3.54Å; I108-F152 HydrophobicContact CG1-CD2 3.81Å; I108-F152 HydrophobicContact CG1-CE2 4.22Å; I108-F152 HydrophobicContact CG2-CD2 3.97Å; I108-F152 HydrophobicContact CG2-CE2 3.48Å; I108-F152 VanDerWaalsContact CG2-CE2 3.48Å; I108-F152 HydrophobicContact CG2-CZ 4.42Å; I108-P354 HydrophobicContact CG2-CB 4.47Å
109	N	91.3	Very high	95.6	Very high	24 Å²	24	19 Å²	19	13%	0.128	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	13.7	-176.6	-156.9	44.1	0	0	0	115.7	D66 V68 Q69 L107 F1032 V1035 T1037	D66-N109 PolarHBondContact OD2-N 3.48Å; V68-N109 HydrophobicContact CB-CB 3.91Å; V68-N109 HydrophobicContact CG1-CB 3.82Å; V68-N109 VanDerWaalsContact CG1-CG 3.47Å; V68-N109 WeakPolarHBondContact CG1-OD1 3.39Å; V68-N109 HydrophobicContact CG2-CB 4.31Å; Q69-N109 PolarHBondContact NE2-OD1 3.13Å; L107-N109 PolarHBondContact O-N 3.21Å; N109-F1032 WeakPolarHBondContact O-CE2 3.28Å; N109-F1032 WeakPolarHBondContact O-CZ 3.45Å; N109-V1035 PolarHBondContact ND2-O 3.39Å; N109-V1035 PolarHBondContact OD1-O 3.08Å; N109-T1037 PolarHBondContact ND2-OG1 2.52Å
110	E	87.9	Confident	95.5	Very high	25 Å²	25	19.6 Å²	19.6	12%	0.117	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-0.5	-174.9	-79.3	177.6	-165.6	0	0	112.6	L107 I108 A112 R128 L1099 R1103	L107-E110 HydrophobicContact CB-CB 3.71Å; L107-E110 WeakPolarHBondContact CD2-OE2 3.43Å; L107-E110 WeakPolarHBondContact O-CB 3.44Å; L107-E110 PolarHBondContact O-N 3.21Å; I108-E110 PolarHBondContact O-N 2.81Å; E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 3.42Å; E110-R128 VanDerWaalsContact C-NH2 3.28Å; E110-R128 VanDerWaalsContact O-CZ 3.27Å; E110-R128 PolarHBondContact O-NE 3.03Å; E110-R128 VanDerWaalsContact O-NE 3.12Å; E110-R128 PolarHBondContact O-NH2 3.5Å; E110-L1099 HydrophobicContact CB-CD1 3.47Å; E110-L1099 VanDerWaalsContact CB-CD1 3.47Å; E110-L1099 HydrophobicContact CG-CD1 3.61Å; E110-L1099 VanDerWaalsContact OE2-CD1 3.32Å; E110-L1099 WeakPolarHBondContact OE2-CD1 3.34Å; E110-R1103 IonicContact OE1-NH1 2.6Å; E110-R1103 PolarHBondContact OE1-NH1 3.04Å
111	G	88.6	Confident	95.4	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.031	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	28.1	175	0	0	0	0	0	113.2	L127 F1032	G111-L127 WeakPolarHBondContact O-CA 3.37Å; G111-L127 WeakPolarHBondContact O-CB 3.42Å; G111-L127 PolarHBondContact O-N 3.04Å; G111-F1032 VanDerWaalsContact N-CE2 3.29Å
112	A	91.8	Very high	95.4	Very high	9 Å²	9	18.7 Å²	18.7	7%	0.074	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.2	178.1	0	0	0	0	0	112.2	L107 E110 L124 W125	L107-A112 HydrophobicContact CB-CB 4.15Å; L107-A112 HydrophobicContact CD1-CB 4.04Å; L107-A112 HydrophobicContact CD2-CB 4.11Å; L107-A112 HydrophobicContact CG-CB 4.32Å; L107-A112 PolarHBondContact N-O 3.45Å; E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 3.42Å; A112-L124 HydrophobicContact CB-CD1 4.1Å; A112-W125 CarbonylContact C-O 3.56Å; A112-W125 WeakPolarHBondContact CA-O 3.45Å; A112-W125 VanDerWaalsContact CB-O 3.31Å; A112-W125 WeakPolarHBondContact CB-O 3.4Å
113	L	95.9	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.9	-177.9	171.3	72	0	0	0	109.5	A73 L81 L83 L104 F106 W125 L127	A73-L113 HydrophobicContact CB-CD2 4.04Å; L81-L113 HydrophobicContact CD1-CD2 4.22Å; L83-L113 HydrophobicContact CD2-CD2 4.3Å; L104-L113 HydrophobicContact CB-CD1 4.29Å; L104-L113 HydrophobicContact CD2-CD1 4.33Å; L104-L113 HydrophobicContact CD2-CD2 4.24Å; L104-L113 HydrophobicContact CD2-CG 4.39Å; F106-L113 HydrophobicContact CD1-CB 4.24Å; F106-L113 HydrophobicContact CD1-CD1 3.97Å; F106-L113 HydrophobicContact CD2-CD1 4.05Å; F106-L113 HydrophobicContact CE1-CB 4.33Å; F106-L113 HydrophobicContact CE1-CD1 4.12Å; F106-L113 HydrophobicContact CE2-CD1 4.18Å; F106-L113 HydrophobicContact CG-CD1 3.95Å; F106-L113 HydrophobicContact CZ-CD1 4.22Å; L113-W125 HydrophobicContact CB-CB 4.2Å; L113-W125 PolarHBondContact N-O 2.97Å; L113-W125 WeakPolarHBondContact O-CB 3.03Å; L113-W125 PolarHBondContact O-N 3.25Å; L113-L127 HydrophobicContact CB-CD1 3.92Å; L113-L127 HydrophobicContact CB-CG 4.35Å
114	V	97.6	Very high	95.2	Very high	2 Å²	2	15 Å²	15	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.9	170.8	174.9	0	0	0	0	109.3	L104 Q105 L107 V122 H123 L124 L157	L104-V114 CarbonylContact C-O 3.57Å; L104-V114 WeakPolarHBondContact CA-O 3.43Å; Q105-V114 HydrophobicContact CB-CB 4.35Å; Q105-V114 PolarHBondContact N-O 3.02Å; Q105-V114 PolarHBondContact O-N 3.43Å; L107-V114 HydrophobicContact CD1-CG2 3.75Å; V114-V122 HydrophobicContact CG1-CG1 3.55Å; V114-H123 CarbonylContact C-O 3.52Å; V114-H123 VanDerWaalsContact CA-O 3.3Å; V114-H123 WeakPolarHBondContact CA-O 3.44Å; V114-L124 HydrophobicContact CG2-CD1 3.96Å; V114-L157 HydrophobicContact CG1-CD2 3.98Å
115	S	98.4	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.7	168.5	58.2	0	0	0	0	110.9	H95 V122 H123 W125	H95-S115 PolarHBondContact CE1-OG 2.86Å; H95-S115 PolarHBondContact NE2-OG 2.93Å; S115-V122 CarbonylContact O-C 3.58Å; S115-V122 VanDerWaalsContact O-CA 3.22Å; S115-V122 WeakPolarHBondContact O-CA 3.02Å; S115-V122 WeakPolarHBondContact O-CG1 3.44Å; S115-H123 PolarHBondContact N-O 2.83Å; S115-H123 PolarHBondContact O-N 2.89Å; S115-W125 PolarHBondContact OG-NE1 3.47Å
116	A	98.3	Very high	94.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.4	168.8	0	0	0	0	0	109.3	I102 Q103 S121 V122 I145	I102-A116 HydrophobicContact CD1-CB 4.29Å; I102-A116 HydrophobicContact CG1-CB 3.98Å; I102-A116 WeakPolarHBondContact CG1-O 3.45Å; I102-A116 PolarHBondContact N-O 3.41Å; Q103-A116 PolarHBondContact N-O 2.78Å; Q103-A116 PolarHBondContact O-N 3.3Å; A116-S121 WeakPolarHBondContact CA-O 3.48Å; A116-V122 HydrophobicContact CB-CG2 4.48Å; A116-I145 HydrophobicContact CB-CG2 4.45Å
117	L	98.1	Very high	94.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	158	-173.6	-77.2	65.6	0	0	0	111.8	H95 A99 A100 D119 D120 S121	H95-L117 HydrophobicContact CB-CD2 3.89Å; A99-L117 HydrophobicContact CB-CB 4.42Å; A99-L117 HydrophobicContact CB-CD2 4.21Å; A100-L117 CarbonylContact O-C 3.35Å; A100-L117 VanDerWaalsContact O-CA 3.23Å; A100-L117 WeakPolarHBondContact O-CA 3.39Å; L117-D119 WeakPolarHBondContact CB-OD1 3.04Å; L117-D119 PolarHBondContact O-N 2.86Å; L117-D119 VanDerWaalsContact O-N 3.16Å; L117-D120 PolarHBondContact O-N 3.16Å; L117-S121 PolarHBondContact N-O 3.07Å
118	A	97.1	Very high	94	Very high	54 Å²	54	17 Å²	17	45%	0.446	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.8	178.4	0	0	0	0	0	114.1	A100 I102	A100-A118 HydrophobicContact CB-CB 4.05Å; A100-A118 PolarHBondContact O-N 3.49Å; I102-A118 HydrophobicContact CG2-CB 3.9Å
119	D	96.1	Very high	93.6	Very high	39 Å²	39	19.4 Å²	19.4	21%	0.209	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	11.7	171.8	77	-22.6	0	0	0	112.1	A99 L117 S121 K139	A99-D119 HydrophobicContact CB-CB 3.74Å; L117-D119 WeakPolarHBondContact CB-OD1 3.04Å; L117-D119 PolarHBondContact O-N 2.86Å; L117-D119 VanDerWaalsContact O-N 3.16Å; D119-S121 VanDerWaalsContact C-N 3.26Å; D119-S121 PolarHBondContact O-N 2.82Å; D119-S121 VanDerWaalsContact OD1-CB 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 2.92Å; D119-S121 PolarHBondContact OD1-N 3.25Å; D119-S121 PolarHBondContact OD1-OG 2.71Å; D119-K139 VanDerWaalsContact CB-NZ 3.3Å; D119-K139 WeakPolarHBondContact O-CE 3.36Å; D119-K139 PolarHBondContact O-NZ 3.02Å; D119-K139 IonicContact OD1-NZ 2.62Å; D119-K139 IonicContact OD2-NZ 2.62Å; D119-K139 PolarHBondContact OD2-NZ 2.91Å
120	D	96.6	Very high	93.1	Very high	32 Å²	32	20 Å²	20	17%	0.171	10%	0.104	C	C	.	.	S	Bend	trans	66.5	26.5	-179.1	-47.9	-43.6	0	0	0	113.7	L117 F140 R144 I145	L117-D120 PolarHBondContact O-N 3.16Å; D120-F140 HydrophobicContact CB-CB 4.12Å; D120-F140 PolarHBondContact O-N 2.97Å; D120-R144 WeakPolarHBondContact OD1-CA 3.4Å; D120-R144 WeakPolarHBondContact OD1-CG 3.45Å; D120-I145 HydrophobicContact CB-CD1 4.45Å; D120-I145 HydrophobicContact CB-CG1 4.32Å; D120-I145 PolarHBondContact OD1-N 3.37Å
121	S	96.3	Very high	92.9	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	142.9	169.4	68.1	0	0	0	0	112.3	A116 L117 D119 H123 L138	A116-S121 WeakPolarHBondContact CA-O 3.48Å; L117-S121 PolarHBondContact N-O 3.07Å; D119-S121 VanDerWaalsContact C-N 3.26Å; D119-S121 PolarHBondContact O-N 2.82Å; D119-S121 VanDerWaalsContact OD1-CB 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 2.92Å; D119-S121 PolarHBondContact OD1-N 3.25Å; D119-S121 PolarHBondContact OD1-OG 2.71Å; S121-H123 WeakPolarHBondContact CB-NE2 3.48Å; S121-H123 PolarHBondContact OG-NE2 2.83Å; S121-L138 CarbonylContact C-O 3.56Å; S121-L138 VanDerWaalsContact CA-O 3.28Å; S121-L138 WeakPolarHBondContact CA-O 3.16Å
122	V	97.2	Very high	93	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.4	170.9	-170.7	0	0	0	0	108.3	V114 S115 A116 S137 L138 F140 I145 L157 I159 F174	V114-V122 HydrophobicContact CG1-CG1 3.55Å; S115-V122 CarbonylContact O-C 3.58Å; S115-V122 VanDerWaalsContact O-CA 3.22Å; S115-V122 WeakPolarHBondContact O-CA 3.02Å; S115-V122 WeakPolarHBondContact O-CG1 3.44Å; A116-V122 HydrophobicContact CB-CG2 4.48Å; V122-S137 CarbonylContact O-C 3.56Å; V122-S137 VanDerWaalsContact O-CA 3.23Å; V122-S137 WeakPolarHBondContact O-CA 3.22Å; V122-L138 PolarHBondContact N-O 2.84Å; V122-L138 PolarHBondContact O-N 3.1Å; V122-F140 HydrophobicContact CG2-CE2 4.19Å; V122-I145 HydrophobicContact CG2-CD1 3.5Å; V122-I145 VanDerWaalsContact CG2-CD1 3.5Å; V122-L157 HydrophobicContact CG1-CD2 4.1Å; V122-I159 HydrophobicContact CG2-CD1 4Å; V122-F174 HydrophobicContact CB-CZ 4.21Å; V122-F174 HydrophobicContact CG1-CZ 3.9Å; V122-F174 WeakPolarHBondContact O-CE1 3.45Å
123	H	96.5	Very high	92.8	Very high	22 Å²	22	26.4 Å²	26.4	10%	0.102	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.7	-178.9	-54.2	-99.1	0	0	0	111	H95 V114 S115 S121 V134 H136 S137	H95-H123 AromaticContact CD2-CD2 3.48Å; H95-H123 PolarHBondContact CD2-CD2 2.81Å; H95-H123 VanDerWaalsContact CD2-CD2 3.48Å; H95-H123 AromaticContact CD2-CG 3.72Å; H95-H123 AromaticContact CD2-NE2 3.78Å; H95-H123 AromaticContact NE2-CD2 3.8Å; V114-H123 CarbonylContact C-O 3.52Å; V114-H123 VanDerWaalsContact CA-O 3.3Å; V114-H123 WeakPolarHBondContact CA-O 3.44Å; S115-H123 PolarHBondContact N-O 2.83Å; S115-H123 PolarHBondContact O-N 2.89Å; S121-H123 WeakPolarHBondContact CB-NE2 3.48Å; S121-H123 PolarHBondContact OG-NE2 2.83Å; H123-V134 HydrophobicContact CB-CG1 4.14Å; H123-H136 CarbonylContact C-O 3.59Å; H123-H136 WeakPolarHBondContact CA-O 3.39Å; H123-S137 PolarHBondContact CE1-OG 2.9Å; H123-S137 WeakPolarHBondContact ND1-CB 3.5Å; H123-S137 PolarHBondContact ND1-OG 2.77Å
124	L	94.9	Very high	92.5	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.3	169.9	-179.8	66.7	0	0	0	109.6	L107 A112 V114 V134 L135 H136 V171 F174	L107-L124 HydrophobicContact CD1-CD1 3.95Å; A112-L124 HydrophobicContact CB-CD1 4.1Å; V114-L124 HydrophobicContact CG2-CD1 3.96Å; L124-V134 CarbonylContact O-C 3.58Å; L124-V134 WeakPolarHBondContact O-CA 3.32Å; L124-L135 HydrophobicContact CD2-CB 4.43Å; L124-L135 HydrophobicContact CD2-CD1 4.21Å; L124-L135 HydrophobicContact CG-CD1 4.47Å; L124-L135 PolarHBondContact O-N 2.6Å; L124-H136 HydrophobicContact CB-CB 4.5Å; L124-H136 PolarHBondContact N-O 3.38Å; L124-V171 WeakPolarHBondContact CD2-O 3.32Å; L124-F174 HydrophobicContact CB-CD2 4.11Å; L124-F174 HydrophobicContact CB-CE2 3.79Å; L124-F174 HydrophobicContact CB-CZ 4.21Å
125	W	93.6	Very high	92	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.027	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.1	178.8	-65.8	82.8	0	0	0	111.3	L81 C93 H95 A112 L113 S115 L127 P132 A133 V134	L81-W125 HydrophobicContact CD1-CD2 3.97Å; L81-W125 VanDerWaalsContact CD1-CE2 3.46Å; L81-W125 HydrophobicContact CD1-CG 4.34Å; L81-W125 HydrophobicContact CD1-CH2 4.4Å; L81-W125 HydrophobicContact CD1-CZ2 3.71Å; C93-W125 HydrophobicContact CB-CH2 4.02Å; C93-W125 HydrophobicContact CB-CZ3 3.74Å; C93-W125 VanDerWaalsContact SG-CZ3 3.54Å; H95-W125 AromaticContact CD2-CZ2 3.59Å; H95-W125 AromaticContact CE1-CZ2 3.64Å; H95-W125 AromaticContact CE1-NE1 3.91Å; H95-W125 AromaticContact CG-CZ2 3.97Å; H95-W125 AromaticContact ND1-CZ2 3.99Å; H95-W125 AromaticContact NE2-CE2 3.59Å; H95-W125 AromaticContact NE2-CZ2 3.36Å; H95-W125 WeakPolarHBondContact NE2-CZ2 3.4Å; H95-W125 AromaticContact NE2-NE1 3.26Å; H95-W125 PolarHBondContact NE2-NE1 2.86Å; A112-W125 CarbonylContact C-O 3.56Å; A112-W125 WeakPolarHBondContact CA-O 3.45Å; A112-W125 VanDerWaalsContact CB-O 3.31Å; A112-W125 WeakPolarHBondContact CB-O 3.4Å; L113-W125 HydrophobicContact CB-CB 4.2Å; L113-W125 PolarHBondContact N-O 2.97Å; L113-W125 WeakPolarHBondContact O-CB 3.03Å; L113-W125 PolarHBondContact O-N 3.25Å; S115-W125 PolarHBondContact OG-NE1 3.47Å; W125-L127 HydrophobicContact CB-CD2 4.35Å; W125-P132 HydrophobicContact CE3-CB 3.99Å; W125-P132 HydrophobicContact CZ3-CB 4.42Å; W125-A133 CarbonylContact C-O 3.59Å; W125-A133 WeakPolarHBondContact CA-O 3.17Å; W125-V134 HydrophobicContact CD2-CG2 3.85Å; W125-V134 HydrophobicContact CE3-CG2 3.9Å; W125-V134 HydrophobicContact CH2-CG2 3.55Å; W125-V134 HydrophobicContact CZ2-CG2 3.49Å; W125-V134 VanDerWaalsContact CZ2-CG2 3.49Å; W125-V134 HydrophobicContact CZ3-CG2 3.76Å
126	N	88.9	Confident	91.5	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.043	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.3	167.1	-179.9	10.1	0	0	0	110.2	R128 P132 A133 L135	N126-R128 WeakPolarHBondContact OD1-CB 3.23Å; N126-R128 PolarHBondContact OD1-N 3.04Å; N126-P132 VanDerWaalsContact O-CA 3.27Å; N126-P132 WeakPolarHBondContact O-CA 3.29Å; N126-A133 PolarHBondContact N-O 2.98Å; N126-A133 PolarHBondContact O-N 2.87Å; N126-L135 HydrophobicContact CB-CD1 3.92Å; N126-L135 HydrophobicContact CB-CD2 3.97Å; N126-L135 HydrophobicContact CB-CG 3.84Å
127	L	91.3	Very high	91.3	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.155	C	C	.	.			trans	-108.4	0.3	-179.7	-52.2	-176.6	0	0	0	113.5	L83 F106 G111 L113 W125 Q129 P132	L83-L127 HydrophobicContact CD2-CD1 3.86Å; L83-L127 HydrophobicContact CD2-CD2 3.84Å; F106-L127 HydrophobicContact CD1-CD1 4.14Å; F106-L127 HydrophobicContact CE1-CD1 3.54Å; G111-L127 WeakPolarHBondContact O-CA 3.37Å; G111-L127 WeakPolarHBondContact O-CB 3.42Å; G111-L127 PolarHBondContact O-N 3.04Å; L113-L127 HydrophobicContact CB-CD1 3.92Å; L113-L127 HydrophobicContact CB-CG 4.35Å; W125-L127 HydrophobicContact CB-CD2 4.35Å; L127-Q129 VanDerWaalsContact C-N 3.25Å; L127-Q129 PolarHBondContact O-N 2.83Å; L127-P132 HydrophobicContact CD2-CB 3.84Å; L127-P132 HydrophobicContact CD2-CG 3.88Å
128	R	86.3	Confident	91.1	Very high	86 Å²	86	30.2 Å²	30.2	33%	0.325	16%	0.156	S	C	.	.	S	Bend	trans	-73.9	-18.7	-179.7	-62.6	177.9	177.2	-95.8	1	113.4	E110 N126 F1032	E110-R128 VanDerWaalsContact C-NH2 3.28Å; E110-R128 VanDerWaalsContact O-CZ 3.27Å; E110-R128 PolarHBondContact O-NE 3.03Å; E110-R128 VanDerWaalsContact O-NE 3.12Å; E110-R128 PolarHBondContact O-NH2 3.5Å; N126-R128 WeakPolarHBondContact OD1-CB 3.23Å; N126-R128 PolarHBondContact OD1-N 3.04Å; R128-F1032 HydrophobicContact CG-CD1 3.9Å; R128-F1032 HydrophobicContact CG-CE1 4.42Å; R128-F1032 HydrophobicContact CG-CG 4.21Å
129	Q	82.5	Confident	91	Very high	83 Å²	83	30.5 Å²	30.5	39%	0.388	15%	0.147	S	C	.	.	S	Bend	trans	-97.5	149.5	173.6	49	178.6	35.6	0	0	109.9	L127 R131	L127-Q129 VanDerWaalsContact C-N 3.25Å; L127-Q129 PolarHBondContact O-N 2.83Å; Q129-R131 VanDerWaalsContact CD-O 3.24Å; Q129-R131 WeakPolarHBondContact CG-O 3.36Å; Q129-R131 PolarHBondContact NE2-O 2.94Å; Q129-R131 PolarHBondContact O-N 2.84Å
130	K	81.7	Confident	91	Very high	37 Å²	37	28.9 Å²	28.9	16%	0.161	14%	0.138	C	C	.	.	S	Bend	trans	-54.9	-29.4	-179.1	-63.5	-171.6	172.6	-155.2	0	114	Q1025 L1028 E1030	K130-Q1025 HydrophobicContact CD-CG 4.37Å; K130-Q1025 WeakPolarHBondContact CD-O 3.22Å; K130-Q1025 WeakPolarHBondContact CE-O 3.37Å; K130-Q1025 PolarHBondContact NZ-O 3.48Å; K130-L1028 HydrophobicContact CB-CB 4.28Å; K130-L1028 HydrophobicContact CD-CB 4.23Å; K130-L1028 WeakPolarHBondContact CD-O 3.28Å; K130-L1028 WeakPolarHBondContact CE-O 3.42Å; K130-L1028 PolarHBondContact NZ-O 3.5Å; K130-E1030 HydrophobicContact CG-CG 4.01Å
131	R	83.9	Confident	90.7	Very high	119 Å²	119	30.9 Å²	30.9	45%	0.449	15%	0.149	S	C	.	.	S	Bend	trans	-112.2	109.8	172.9	-71.1	-173.8	175.3	-175.2	-2.2	110	Q129 A133 L1028	Q129-R131 VanDerWaalsContact CD-O 3.24Å; Q129-R131 WeakPolarHBondContact CG-O 3.36Å; Q129-R131 PolarHBondContact NE2-O 2.94Å; Q129-R131 PolarHBondContact O-N 2.84Å; R131-A133 PolarHBondContact O-N 2.93Å; R131-L1028 HydrophobicContact CG-CD1 3.94Å
132	P	89.7	Confident	90.1	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.097	19%	0.187	C	C	.	.			trans	-52.5	139.6	175.1	-28.9	37.1	0	0	0	112.5	L83 C91 W125 N126 L127 L1031	L83-P132 HydrophobicContact CD1-CG 4.19Å; C91-P132 WeakPolarHBondContact SG-CD 3.45Å; C91-P132 VanDerWaalsContact SG-CG 3.59Å; W125-P132 HydrophobicContact CE3-CB 3.99Å; W125-P132 HydrophobicContact CZ3-CB 4.42Å; N126-P132 VanDerWaalsContact O-CA 3.27Å; N126-P132 WeakPolarHBondContact O-CA 3.29Å; L127-P132 HydrophobicContact CD2-CB 3.84Å; L127-P132 HydrophobicContact CD2-CG 3.88Å; P132-L1031 HydrophobicContact CG-CD1 3.81Å
133	A	88.4	Confident	89.8	Confident	37 Å²	37	42.4 Å²	42.4	31%	0.306	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150	173.2	0	0	0	0	0	111.4	W125 N126 R131 L135	W125-A133 CarbonylContact C-O 3.59Å; W125-A133 WeakPolarHBondContact CA-O 3.17Å; N126-A133 PolarHBondContact N-O 2.98Å; N126-A133 PolarHBondContact O-N 2.87Å; R131-A133 PolarHBondContact O-N 2.93Å; A133-L135 PolarHBondContact O-N 2.75Å
134	V	90.3	Very high	89.7	Confident	28 Å²	28	47.6 Å²	47.6	17%	0.17	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.5	172.3	-179.4	0	0	0	0	109.3	H123 L124 W125 S137	H123-V134 HydrophobicContact CB-CG1 4.14Å; L124-V134 CarbonylContact O-C 3.58Å; L124-V134 WeakPolarHBondContact O-CA 3.32Å; W125-V134 HydrophobicContact CD2-CG2 3.85Å; W125-V134 HydrophobicContact CE3-CG2 3.9Å; W125-V134 HydrophobicContact CH2-CG2 3.55Å; W125-V134 HydrophobicContact CZ2-CG2 3.49Å; W125-V134 VanDerWaalsContact CZ2-CG2 3.49Å; W125-V134 HydrophobicContact CZ3-CG2 3.76Å; V134-S137 WeakPolarHBondContact CG1-OG 3.38Å
135	L	86.9	Confident	89.9	Confident	23 Å²	23	47.7 Å²	47.7	12%	0.12	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-49.2	172.9	-65.3	-178.8	0	0	0	111.2	L124 N126 A133 G1081	L124-L135 HydrophobicContact CD2-CB 4.43Å; L124-L135 HydrophobicContact CD2-CD1 4.21Å; L124-L135 HydrophobicContact CG-CD1 4.47Å; L124-L135 PolarHBondContact O-N 2.6Å; N126-L135 HydrophobicContact CB-CD1 3.92Å; N126-L135 HydrophobicContact CB-CD2 3.97Å; N126-L135 HydrophobicContact CB-CG 3.84Å; A133-L135 PolarHBondContact O-N 2.75Å; L135-G1081 PolarHBondContact O-N 3.42Å
136	H	88	Confident	90.1	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.7	-175.7	-63.1	-58.5	0	0	0	111.2	H123 L124 F174 H1078	H123-H136 CarbonylContact C-O 3.59Å; H123-H136 WeakPolarHBondContact CA-O 3.39Å; L124-H136 HydrophobicContact CB-CB 4.5Å; L124-H136 PolarHBondContact N-O 3.38Å; H136-F174 HydrophobicContact CB-CB 3.59Å; H136-F174 HydrophobicContact CB-CD1 3.35Å; H136-F174 HydrophobicContact CB-CD2 4.29Å; H136-F174 HydrophobicContact CB-CE1 4.08Å; H136-F174 HydrophobicContact CB-CG 3.49Å; H136-F174 VanDerWaalsContact CB-CG 3.49Å; H136-H1078 AromaticContact CG-NE2 3.72Å; H136-H1078 AromaticContact ND1-CE1 3.69Å; H136-H1078 AromaticContact ND1-NE2 3.3Å; H136-H1078 PolarHBondContact ND1-NE2 3.19Å
137	S	93.6	Very high	90.5	Very high	14 Å²	14	51 Å²	51	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.1	171.6	-45.9	0	0	0	0	110.7	V122 H123 V134 F174 H1078 I1079	V122-S137 CarbonylContact O-C 3.56Å; V122-S137 VanDerWaalsContact O-CA 3.23Å; V122-S137 WeakPolarHBondContact O-CA 3.22Å; H123-S137 PolarHBondContact CE1-OG 2.9Å; H123-S137 WeakPolarHBondContact ND1-CB 3.5Å; H123-S137 PolarHBondContact ND1-OG 2.77Å; V134-S137 WeakPolarHBondContact CG1-OG 3.38Å; S137-F174 VanDerWaalsContact C-CE1 3.48Å; S137-H1078 WeakPolarHBondContact O-CA 3.37Å; S137-I1079 PolarHBondContact N-O 3.39Å; S137-I1079 PolarHBondContact O-N 3.31Å
138	L	94.5	Very high	90.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.6	176.1	-85.5	169.9	0	0	0	107.2	S121 V122 V169 F174 A1076 Q1077 H1078	S121-L138 CarbonylContact C-O 3.56Å; S121-L138 VanDerWaalsContact CA-O 3.28Å; S121-L138 WeakPolarHBondContact CA-O 3.16Å; V122-L138 PolarHBondContact N-O 2.84Å; V122-L138 PolarHBondContact O-N 3.1Å; L138-V169 HydrophobicContact CD1-CB 4.47Å; L138-V169 HydrophobicContact CD1-CG1 3.6Å; L138-V169 HydrophobicContact CD1-CG2 3.95Å; L138-F174 HydrophobicContact CB-CD1 4.13Å; L138-F174 HydrophobicContact CB-CE1 3.72Å; L138-F174 HydrophobicContact CD1-CD1 3.62Å; L138-F174 HydrophobicContact CD1-CE1 3.74Å; L138-F174 HydrophobicContact CD1-CG 4.09Å; L138-F174 HydrophobicContact CD1-CZ 4.29Å; L138-F174 WeakPolarHBondContact CD1-O 3.16Å; L138-F174 HydrophobicContact CG-CD1 3.43Å; L138-F174 VanDerWaalsContact CG-CD1 3.43Å; L138-F174 HydrophobicContact CG-CE1 3.56Å; L138-F174 HydrophobicContact CG-CG 4.32Å; L138-A1076 HydrophobicContact CD2-CB 4.32Å; L138-Q1077 WeakPolarHBondContact CA-O 3.3Å; L138-H1078 HydrophobicContact CD2-CB 4.08Å
139	K	94.8	Very high	91.3	Very high	61 Å²	61	48.3 Å²	48.3	27%	0.265	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.6	177.7	-176.3	69.3	167.3	-166.5	0	109.4	D119 A1076 Q1077 I1079	D119-K139 VanDerWaalsContact CB-NZ 3.3Å; D119-K139 WeakPolarHBondContact O-CE 3.36Å; D119-K139 PolarHBondContact O-NZ 3.02Å; D119-K139 IonicContact OD1-NZ 2.62Å; D119-K139 IonicContact OD2-NZ 2.62Å; D119-K139 PolarHBondContact OD2-NZ 2.91Å; K139-A1076 CarbonylContact O-C 3.47Å; K139-A1076 WeakPolarHBondContact O-CA 3.31Å; K139-A1076 WeakPolarHBondContact O-CB 3.42Å; K139-Q1077 PolarHBondContact N-O 3.03Å; K139-Q1077 PolarHBondContact O-N 2.91Å; K139-I1079 HydrophobicContact CB-CD1 4.31Å
140	F	94.5	Very high	91.9	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.8	176.8	-77.8	-106.4	0	0	0	111.1	D120 V122 E143 I145 I159 H167 V169 L176 A1076	D120-F140 HydrophobicContact CB-CB 4.12Å; D120-F140 PolarHBondContact O-N 2.97Å; V122-F140 HydrophobicContact CG2-CE2 4.19Å; F140-E143 HydrophobicContact CD1-CB 4.33Å; F140-I145 HydrophobicContact CD2-CD1 3.78Å; F140-I145 HydrophobicContact CD2-CG1 4.36Å; F140-I145 HydrophobicContact CE2-CD1 4.19Å; F140-I145 HydrophobicContact CG-CD1 4.35Å; F140-I145 HydrophobicContact CG-CG1 4.48Å; F140-I159 HydrophobicContact CE2-CD1 3.68Å; F140-I159 HydrophobicContact CZ-CD1 3.55Å; F140-I159 HydrophobicContact CZ-CG2 4.19Å; F140-H167 HydrophobicContact CE1-CB 4.2Å; F140-V169 HydrophobicContact CZ-CG2 4.47Å; F140-L176 HydrophobicContact CE1-CD2 4.16Å; F140-L176 HydrophobicContact CZ-CD2 3.93Å; F140-A1076 HydrophobicContact CD1-CB 4.35Å; F140-A1076 HydrophobicContact CD2-CB 4.27Å; F140-A1076 HydrophobicContact CE2-CB 4.46Å; F140-A1076 HydrophobicContact CG-CB 4.21Å
141	N	90.6	Very high	92.4	Very high	73 Å²	73	43.8 Å²	43.8	39%	0.39	20%	0.202	S	C	.	.	S	Bend	trans	-110.7	116.3	-179.9	-68.7	-37.5	0	0	0	110	E143 S1074 L1075	N141-E143 PolarHBondContact O-N 2.72Å; N141-E143 VanDerWaalsContact O-N 3.14Å; N141-S1074 WeakPolarHBondContact CB-O 3.44Å; N141-S1074 PolarHBondContact ND2-O 3.06Å; N141-L1075 PolarHBondContact N-O 2.8Å
142	R	84.1	Confident	92.5	Very high	223 Å²	223	40.5 Å²	40.5	84%	0.842	19%	0.191	S	C	*	.	S	Bend	trans	59.6	19.4	175.5	-54.8	-179.9	174.5	178.1	-1.7	115	R163	R142-R163 PolarHBondContact O-NE 3.48Å; R142-R163 PolarHBondContact O-NH2 3.2Å; R142-R163 VanDerWaalsContact O-NH2 3.11Å
143	E	90.4	Very high	92.2	Very high	25 Å²	25	42.4 Å²	42.4	12%	0.117	20%	0.198	C	C	.	.			trans	-127.4	101	174.8	-73.4	-69	177.4	0	0	107.6	F140 N141 T161 R163 L1075	F140-E143 HydrophobicContact CD1-CB 4.33Å; N141-E143 PolarHBondContact O-N 2.72Å; N141-E143 VanDerWaalsContact O-N 3.14Å; E143-T161 HydrophobicContact CB-CG2 4.22Å; E143-R163 WeakPolarHBondContact OE1-CD 3.44Å; E143-R163 IonicContact OE1-NE 2.69Å; E143-R163 VanDerWaalsContact OE2-CD 3.29Å; E143-R163 WeakPolarHBondContact OE2-CD 3.19Å; E143-R163 WeakPolarHBondContact OE2-CG 3.2Å; E143-R163 IonicContact OE2-NE 3.37Å; E143-L1075 HydrophobicContact CG-CD1 3.74Å
144	R	95.8	Very high	92.2	Very high	132 Å²	132	41 Å²	41	50%	0.498	19%	0.186	S	C	.	.			trans	-75.2	127.2	-177.2	-175.1	-173.7	174.1	-170.8	-2.4	110.1	D120 T161 E162	D120-R144 WeakPolarHBondContact OD1-CA 3.4Å; D120-R144 WeakPolarHBondContact OD1-CG 3.45Å; R144-T161 CarbonylContact O-C 3.5Å; R144-T161 WeakPolarHBondContact O-CA 3.33Å; R144-T161 WeakPolarHBondContact O-CB 3.41Å; R144-E162 HydrophobicContact CB-CB 3.93Å; R144-E162 WeakPolarHBondContact CB-OE2 3.39Å; R144-E162 WeakPolarHBondContact CD-OE2 3.24Å; R144-E162 IonicContact CZ-OE1 3.73Å; R144-E162 IonicContact NH1-OE1 3.77Å; R144-E162 PolarHBondContact NH1-OE1 3.33Å; R144-E162 PolarHBondContact O-N 3.06Å
145	I	97.7	Very high	92	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.6	-179	-57.7	175.7	0	0	0	109.6	I102 A116 D120 V122 F140 I159	I102-I145 HydrophobicContact CD1-CB 4.26Å; I102-I145 HydrophobicContact CD1-CG2 4.07Å; A116-I145 HydrophobicContact CB-CG2 4.45Å; D120-I145 HydrophobicContact CB-CD1 4.45Å; D120-I145 HydrophobicContact CB-CG1 4.32Å; D120-I145 PolarHBondContact OD1-N 3.37Å; V122-I145 HydrophobicContact CG2-CD1 3.5Å; V122-I145 VanDerWaalsContact CG2-CD1 3.5Å; F140-I145 HydrophobicContact CD2-CD1 3.78Å; F140-I145 HydrophobicContact CD2-CG1 4.36Å; F140-I145 HydrophobicContact CE2-CD1 4.19Å; F140-I145 HydrophobicContact CG-CD1 4.35Å; F140-I145 HydrophobicContact CG-CG1 4.48Å; I145-I159 HydrophobicContact CD1-CG2 4.33Å; I145-I159 HydrophobicContact CG1-CG2 4.03Å; I145-I159 HydrophobicContact CG2-CG2 3.94Å
146	T	97.3	Very high	92.3	Very high	46 Å²	46	42 Å²	42	28%	0.282	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-28.3	179.3	56.5	0	0	0	0	113.6	G160 T161 E162 P197 V198	T146-G160 PolarHBondContact N-O 3.41Å; T146-G160 PolarHBondContact OG1-O 3.15Å; T146-T161 PolarHBondContact OG1-O 2.87Å; T146-E162 HydrophobicContact CG2-CB 3.9Å; T146-P197 HydrophobicContact CG2-CB 4.32Å; T146-V198 WeakPolarHBondContact CB-O 2.89Å; T146-V198 PolarHBondContact OG1-O 3.37Å
147	F	97.6	Very high	92.7	Very high	37 Å²	37	41.4 Å²	41.4	16%	0.162	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144.3	-179.2	-160.8	-90.2	0	0	0	111.5	H149 I159 G160 V199 H200 I201	F147-H149 HydrophobicContact CE1-CB 4.2Å; F147-I159 CarbonylContact O-C 3.47Å; F147-G160 PolarHBondContact N-O 3.27Å; F147-G160 PolarHBondContact O-N 3.06Å; F147-V199 WeakPolarHBondContact CD2-O 3.18Å; F147-V199 WeakPolarHBondContact CE2-O 3.33Å; F147-H200 AromaticContact CZ-ND1 3.75Å; F147-I201 HydrophobicContact CD1-CB 3.94Å; F147-I201 HydrophobicContact CD1-CD1 4.41Å; F147-I201 HydrophobicContact CD1-CG1 4.08Å; F147-I201 HydrophobicContact CE1-CB 4.15Å; F147-I201 VanDerWaalsContact CE1-N 3.34Å; F147-I201 WeakPolarHBondContact CE1-O 3.21Å
148	C	97.6	Very high	92.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.5	176.4	-70.8	0	0	0	0	110	Q103 Q105 L157 Y158	Q103-C148 PolarHBondContact NE2-O 3.37Å; Q103-C148 PolarHBondContact OE1-O 2.92Å; Q105-C148 PolarHBondContact NE2-O 3.03Å; C148-L157 HydrophobicContact CB-CD1 4.25Å; C148-Y158 CarbonylContact C-O 3.54Å; C148-Y158 VanDerWaalsContact CA-O 3.29Å; C148-Y158 WeakPolarHBondContact CA-O 3.29Å
149	H	97.3	Very high	93.1	Very high	33 Å²	33	40.5 Å²	40.5	15%	0.153	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	174.3	-179.1	59.6	0	0	0	110.5	F147 Y158 I201 D203	F147-H149 HydrophobicContact CE1-CB 4.2Å; H149-Y158 HydrophobicContact CB-CD2 4.39Å; H149-Y158 AromaticContact CD2-CD2 3.83Å; H149-Y158 PolarHBondContact N-O 2.88Å; H149-Y158 WeakPolarHBondContact O-CD2 3.3Å; H149-Y158 PolarHBondContact O-N 3.32Å; H149-I201 HydrophobicContact CB-CB 3.91Å; H149-I201 HydrophobicContact CB-CG2 3.89Å; H149-I201 WeakPolarHBondContact CB-O 3.12Å; H149-I201 VanDerWaalsContact CG-O 3.26Å; H149-D203 PolarHBondContact NE2-N 2.82Å
150	L	95.1	Very high	93.3	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.079	17%	0.166	C	C	.	.			trans	-113	109.5	170.3	-177.6	63.2	0	0	0	107.8	Q105 L107 S154 L157 V171	Q105-L150 HydrophobicContact CB-CB 4.26Å; L107-L150 HydrophobicContact CD1-CD2 3.88Å; L107-L150 HydrophobicContact CG-CD2 3.87Å; L150-S154 WeakPolarHBondContact CD1-O 3.44Å; L150-L157 HydrophobicContact CB-CD1 3.96Å; L150-L157 HydrophobicContact CD1-CB 4.3Å; L150-V171 HydrophobicContact CD1-CG1 4.22Å
151	P	91.8	Very high	93.4	Very high	10 Å²	10	37.3 Å²	37.3	7%	0.065	17%	0.165	C	C	.	.			trans	-61.2	143.9	174.5	-18.5	29.4	0	0	0	110.2	Q153 S154 W156 Y158 D203	P151-Q153 PolarHBondContact O-N 2.89Å; P151-S154 VanDerWaalsContact O-CB 3.28Å; P151-S154 WeakPolarHBondContact O-CB 3.12Å; P151-S154 PolarHBondContact O-N 2.8Å; P151-W156 WeakPolarHBondContact CD-O 3.43Å; P151-Y158 HydrophobicContact CG-CD2 4.25Å; P151-Y158 HydrophobicContact CG-CE2 3.64Å; P151-D203 WeakPolarHBondContact CB-OD2 3.46Å; P151-D203 WeakPolarHBondContact CG-OD2 3.45Å
152	F	87.3	Confident	93.7	Very high	50 Å²	50	37.9 Å²	37.9	22%	0.219	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	134.4	174.3	178.8	-132.9	0	0	0	108.9	I108 S154 P354 Y355 T1037	I108-F152 HydrophobicContact CB-CD2 3.63Å; I108-F152 HydrophobicContact CB-CE2 3.54Å; I108-F152 HydrophobicContact CG1-CD2 3.81Å; I108-F152 HydrophobicContact CG1-CE2 4.22Å; I108-F152 HydrophobicContact CG2-CD2 3.97Å; I108-F152 HydrophobicContact CG2-CE2 3.48Å; I108-F152 VanDerWaalsContact CG2-CE2 3.48Å; I108-F152 HydrophobicContact CG2-CZ 4.42Å; F152-S154 PolarHBondContact O-N 2.7Å; F152-S154 VanDerWaalsContact O-N 3.12Å; F152-P354 HydrophobicContact CD1-CB 4.27Å; F152-P354 HydrophobicContact CD2-CB 4.42Å; F152-P354 HydrophobicContact CE1-CB 3.87Å; F152-P354 HydrophobicContact CE1-CG 3.72Å; F152-P354 HydrophobicContact CE2-CB 4.06Å; F152-P354 HydrophobicContact CE2-CG 4.36Å; F152-P354 HydrophobicContact CZ-CB 3.75Å; F152-P354 HydrophobicContact CZ-CG 3.61Å; F152-Y355 AromaticContact CD1-CD1 4Å; F152-Y355 HydrophobicContact CD1-CD1 4Å; F152-Y355 HydrophobicContact CD1-CE1 4.11Å; F152-Y355 AromaticContact CE1-CD1 3.76Å; F152-Y355 HydrophobicContact CE1-CD1 3.76Å; F152-Y355 HydrophobicContact CE1-CD2 4.5Å; F152-Y355 AromaticContact CE1-CE1 3.52Å; F152-Y355 HydrophobicContact CE1-CE1 3.52Å; F152-Y355 HydrophobicContact CE1-CE2 4.28Å; F152-Y355 HydrophobicContact CE1-CG 4.25Å; F152-Y355 AromaticContact CE1-CZ 3.79Å; F152-T1037 HydrophobicContact CZ-CG2 3.89Å
153	Q	83.5	Confident	94.2	Very high	54 Å²	54	33.4 Å²	33.4	25%	0.252	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	10.8	177.9	-72.1	-162.5	15.6	0	0	116	P151 R1103	P151-Q153 PolarHBondContact O-N 2.89Å; Q153-R1103 VanDerWaalsContact CB-CZ 3.45Å; Q153-R1103 PolarHBondContact O-NE 3.46Å; Q153-R1103 PolarHBondContact O-NH1 3.48Å; Q153-R1103 PolarHBondContact O-NH2 3.27Å
154	S	86.9	Confident	94.4	Very high	8 Å²	8	32.3 Å²	32.3	6%	0.056	14%	0.143	C	C	.	.			trans	-94.2	144.2	174.8	179.9	0	0	0	0	111.4	L150 P151 F152 W156	L150-S154 WeakPolarHBondContact CD1-O 3.44Å; P151-S154 VanDerWaalsContact O-CB 3.28Å; P151-S154 WeakPolarHBondContact O-CB 3.12Å; P151-S154 PolarHBondContact O-N 2.8Å; F152-S154 PolarHBondContact O-N 2.7Å; F152-S154 VanDerWaalsContact O-N 3.12Å; S154-W156 VanDerWaalsContact C-N 3.32Å; S154-W156 PolarHBondContact OG-N 3.22Å; S154-W156 PolarHBondContact OG-O 3.32Å
155	K	87	Confident	94.4	Very high	61 Å²	61	26.7 Å²	26.7	27%	0.265	12%	0.123	S	C	.	.	S	Bend	trans	-91.4	7.7	166.5	65.7	179.7	-178.3	175.2	0	113.8	N170 V171 E172 E1060	K155-N170 CarbonylContact O-C 3.49Å; K155-N170 WeakPolarHBondContact O-CA 3.31Å; K155-V171 HydrophobicContact CB-CG2 4.21Å; K155-V171 WeakPolarHBondContact O-CG2 3.21Å; K155-V171 PolarHBondContact O-N 2.98Å; K155-E172 HydrophobicContact CB-CG 4.16Å; K155-E172 HydrophobicContact CD-CG 4.47Å; K155-E172 WeakPolarHBondContact CD-OE2 3.03Å; K155-E172 IonicContact NZ-OE2 2.62Å; K155-E1060 WeakPolarHBondContact CE-OE2 3.25Å; K155-E1060 IonicContact NZ-OE2 3.42Å; K155-E1060 PolarHBondContact NZ-OE2 3.37Å
156	W	93.3	Very high	94.4	Very high	10 Å²	10	26.5 Å²	26.5	4%	0.038	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.7	-176.2	-62.2	103.1	0	0	0	110.5	P151 S154 I168 V169 N170 R1059 E1060 F1063	P151-W156 WeakPolarHBondContact CD-O 3.43Å; S154-W156 VanDerWaalsContact C-N 3.32Å; S154-W156 PolarHBondContact OG-N 3.22Å; S154-W156 PolarHBondContact OG-O 3.32Å; W156-I168 HydrophobicContact CB-CG2 4.21Å; W156-I168 HydrophobicContact CD2-CG2 4.39Å; W156-I168 HydrophobicContact CE3-CG2 3.69Å; W156-I168 HydrophobicContact CZ3-CG2 4.4Å; W156-V169 CarbonylContact C-O 3.59Å; W156-V169 WeakPolarHBondContact CA-O 3.29Å; W156-N170 HydrophobicContact CE3-CB 3.81Å; W156-N170 HydrophobicContact CH2-CB 3.88Å; W156-N170 HydrophobicContact CZ3-CB 3.46Å; W156-N170 VanDerWaalsContact CZ3-CB 3.46Å; W156-R1059 VanDerWaalsContact CD1-CB 3.48Å; W156-R1059 HydrophobicContact CG-CB 4.43Å; W156-E1060 WeakPolarHBondContact CZ2-OE2 3.4Å; W156-F1063 HydrophobicContact CB-CD2 4.1Å; W156-F1063 HydrophobicContact CB-CE2 4.43Å; W156-F1063 HydrophobicContact CD2-CB 3.85Å; W156-F1063 AromaticContact CD2-CD2 3.77Å; W156-F1063 HydrophobicContact CD2-CD2 3.77Å; W156-F1063 HydrophobicContact CD2-CG 4.3Å; W156-F1063 HydrophobicContact CE3-CB 3.77Å; W156-F1063 HydrophobicContact CE3-CD2 4.24Å; W156-F1063 HydrophobicContact CE3-CG 4.43Å; W156-F1063 AromaticContact CG-CD2 3.7Å; W156-F1063 HydrophobicContact CG-CD2 3.7Å; W156-F1063 HydrophobicContact CG-CE2 4.42Å; W156-F1063 VanDerWaalsContact CH2-C 3.46Å; W156-F1063 HydrophobicContact CH2-CB 3.6Å; W156-F1063 WeakPolarHBondContact CH2-O 3.23Å; W156-F1063 HydrophobicContact CZ2-CB 3.72Å; W156-F1063 HydrophobicContact CZ3-CB 3.61Å
157	L	96.7	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.3	177.5	174.5	72.1	0	0	0	109.7	V114 V122 C148 L150 I159 I168 V169 V171	V114-L157 HydrophobicContact CG1-CD2 3.98Å; V122-L157 HydrophobicContact CG1-CD2 4.1Å; C148-L157 HydrophobicContact CB-CD1 4.25Å; L150-L157 HydrophobicContact CB-CD1 3.96Å; L150-L157 HydrophobicContact CD1-CB 4.3Å; L157-I159 HydrophobicContact CD2-CD1 4.1Å; L157-I159 HydrophobicContact CD2-CG1 4.13Å; L157-I159 HydrophobicContact CG-CG1 4.12Å; L157-I168 CarbonylContact O-C 3.57Å; L157-I168 WeakPolarHBondContact O-CA 3.34Å; L157-V169 HydrophobicContact CB-CB 4.31Å; L157-V169 PolarHBondContact N-O 3.47Å; L157-V169 PolarHBondContact O-N 3.24Å; L157-V171 HydrophobicContact CB-CG1 3.66Å
158	Y	98.1	Very high	94.4	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.2	171.5	-55	-81.6	0	0	0	110.4	C148 H149 P151 I166 I168 I201 L211 F1063	C148-Y158 CarbonylContact C-O 3.54Å; C148-Y158 VanDerWaalsContact CA-O 3.29Å; C148-Y158 WeakPolarHBondContact CA-O 3.29Å; H149-Y158 HydrophobicContact CB-CD2 4.39Å; H149-Y158 AromaticContact CD2-CD2 3.83Å; H149-Y158 PolarHBondContact N-O 2.88Å; H149-Y158 WeakPolarHBondContact O-CD2 3.3Å; H149-Y158 PolarHBondContact O-N 3.32Å; P151-Y158 HydrophobicContact CG-CD2 4.25Å; P151-Y158 HydrophobicContact CG-CE2 3.64Å; Y158-I166 HydrophobicContact CD1-CG2 4.38Å; Y158-I168 HydrophobicContact CD1-CD1 4.14Å; Y158-I168 HydrophobicContact CD1-CG1 3.91Å; Y158-I168 HydrophobicContact CE1-CD1 3.93Å; Y158-I168 HydrophobicContact CE1-CG1 4.2Å; Y158-I201 HydrophobicContact CD2-CG2 4.39Å; Y158-I201 HydrophobicContact CG-CG2 4.22Å; Y158-L211 HydrophobicContact CE2-CD1 4.41Å; Y158-F1063 HydrophobicContact CE1-CE2 4.3Å; Y158-F1063 HydrophobicContact CE1-CZ 4.15Å
159	I	98.1	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	107.1	-179.3	-61.6	177.2	0	0	0	108.6	V122 F140 I145 F147 L157 I166 H167 V169	V122-I159 HydrophobicContact CG2-CD1 4Å; F140-I159 HydrophobicContact CE2-CD1 3.68Å; F140-I159 HydrophobicContact CZ-CD1 3.55Å; F140-I159 HydrophobicContact CZ-CG2 4.19Å; I145-I159 HydrophobicContact CD1-CG2 4.33Å; I145-I159 HydrophobicContact CG1-CG2 4.03Å; I145-I159 HydrophobicContact CG2-CG2 3.94Å; F147-I159 CarbonylContact O-C 3.47Å; L157-I159 HydrophobicContact CD2-CD1 4.1Å; L157-I159 HydrophobicContact CD2-CG1 4.13Å; L157-I159 HydrophobicContact CG-CG1 4.12Å; I159-I166 CarbonylContact O-C 3.56Å; I159-I166 VanDerWaalsContact O-CA 3.28Å; I159-I166 WeakPolarHBondContact O-CA 3.27Å; I159-H167 PolarHBondContact N-O 2.87Å; I159-H167 PolarHBondContact O-N 3.15Å; I159-V169 HydrophobicContact CD1-CB 4.4Å; I159-V169 HydrophobicContact CD1-CG2 3.55Å; I159-V169 HydrophobicContact CG1-CG2 4.5Å
160	G	98.1	Very high	94	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	147.2	171	0	0	0	0	0	111.8	T146 F147	T146-G160 PolarHBondContact N-O 3.41Å; T146-G160 PolarHBondContact OG1-O 3.15Å; F147-G160 PolarHBondContact N-O 3.27Å; F147-G160 PolarHBondContact O-N 3.06Å
161	T	97.6	Very high	93.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	161.5	-175.3	61.2	0	0	0	0	112.5	E143 R144 T146 R163 G164 N165 V198	E143-T161 HydrophobicContact CB-CG2 4.22Å; R144-T161 CarbonylContact O-C 3.5Å; R144-T161 WeakPolarHBondContact O-CA 3.33Å; R144-T161 WeakPolarHBondContact O-CB 3.41Å; T146-T161 PolarHBondContact OG1-O 2.87Å; T161-R163 PolarHBondContact O-N 3.13Å; T161-G164 PolarHBondContact O-N 2.84Å; T161-N165 PolarHBondContact N-O 3.25Å; T161-N165 PolarHBondContact OG1-N 3.02Å; T161-N165 PolarHBondContact OG1-O 2.6Å; T161-V198 PolarHBondContact O-N 3.05Å
162	E	96.4	Very high	93.3	Very high	85 Å²	85	22.7 Å²	22.7	40%	0.397	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.5	172.5	-172.2	176.4	-137.9	0	0	112.3	R144 T146 G164 P197	R144-E162 HydrophobicContact CB-CB 3.93Å; R144-E162 WeakPolarHBondContact CB-OE2 3.39Å; R144-E162 WeakPolarHBondContact CD-OE2 3.24Å; R144-E162 IonicContact CZ-OE1 3.73Å; R144-E162 IonicContact NH1-OE1 3.77Å; R144-E162 PolarHBondContact NH1-OE1 3.33Å; R144-E162 PolarHBondContact O-N 3.06Å; T146-E162 HydrophobicContact CG2-CB 3.9Å; E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 2.6Å; E162-P197 HydrophobicContact CG-CG 4.11Å; E162-P197 WeakPolarHBondContact O-CA 3.38Å
163	R	94.6	Very high	93	Very high	129 Å²	129	23.1 Å²	23.1	49%	0.487	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.8	175.2	-57.9	-168.5	-172	-134.8	-2.8	113.8	R142 E143 T161 N165 H194	R142-R163 PolarHBondContact O-NE 3.48Å; R142-R163 PolarHBondContact O-NH2 3.2Å; R142-R163 VanDerWaalsContact O-NH2 3.11Å; E143-R163 WeakPolarHBondContact OE1-CD 3.44Å; E143-R163 IonicContact OE1-NE 2.69Å; E143-R163 VanDerWaalsContact OE2-CD 3.29Å; E143-R163 WeakPolarHBondContact OE2-CD 3.19Å; E143-R163 WeakPolarHBondContact OE2-CG 3.2Å; E143-R163 IonicContact OE2-NE 3.37Å; T161-R163 PolarHBondContact O-N 3.13Å; R163-N165 VanDerWaalsContact C-N 3.25Å; R163-N165 PolarHBondContact O-N 2.93Å; R163-H194 PolarHBondContact O-CE1 2.78Å; R163-H194 PolarHBondContact O-NE2 3.12Å; R163-H194 VanDerWaalsContact O-NE2 3.11Å
164	G	95.3	Very high	93.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	10%	0.098	C	C	.	.	S	Bend	trans	79.7	-2.5	179.7	0	0	0	0	0	114.8	T161 E162 W183 G196 V198 F215	T161-G164 PolarHBondContact O-N 2.84Å; E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 2.6Å; G164-W183 WeakPolarHBondContact O-CB 3.45Å; G164-G196 WeakPolarHBondContact CA-O 3.2Å; G164-V198 VanDerWaalsContact C-CG2 3.5Å; G164-V198 WeakPolarHBondContact O-CG2 3.3Å; G164-F215 WeakPolarHBondContact O-CE1 3.36Å
165	N	95.8	Very high	93.3	Very high	14 Å²	14	25 Å²	25	8%	0.075	12%	0.119	C	C	.	.			trans	-82.8	152	177.9	-64	-36.6	0	0	0	111	T161 R163 M182 W183	T161-N165 PolarHBondContact N-O 3.25Å; T161-N165 PolarHBondContact OG1-N 3.02Å; T161-N165 PolarHBondContact OG1-O 2.6Å; R163-N165 VanDerWaalsContact C-N 3.25Å; R163-N165 PolarHBondContact O-N 2.93Å; N165-M182 WeakPolarHBondContact OD1-CA 3.42Å; N165-W183 VanDerWaalsContact OD1-CD1 3.31Å; N165-W183 PolarHBondContact OD1-N 3.41Å
166	I	97.9	Very high	93.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.9	173.5	-52.7	167.5	0	0	0	109.5	Y158 I159 V180 I181 V198 I201 I213	Y158-I166 HydrophobicContact CD1-CG2 4.38Å; I159-I166 CarbonylContact O-C 3.56Å; I159-I166 VanDerWaalsContact O-CA 3.28Å; I159-I166 WeakPolarHBondContact O-CA 3.27Å; I166-V180 WeakPolarHBondContact O-CG1 3.36Å; I166-I181 HydrophobicContact CB-CB 4.1Å; I166-I181 HydrophobicContact CD1-CB 4.39Å; I166-I181 HydrophobicContact CD1-CD1 4.27Å; I166-I181 PolarHBondContact N-O 3.43Å; I166-I181 PolarHBondContact O-N 2.96Å; I166-V198 HydrophobicContact CG1-CG2 4.1Å; I166-I201 HydrophobicContact CB-CD1 4.49Å; I166-I201 HydrophobicContact CD1-CD1 3.97Å; I166-I201 HydrophobicContact CD1-CG1 4.17Å; I166-I201 HydrophobicContact CG1-CD1 3.93Å; I166-I201 HydrophobicContact CG2-CD1 3.8Å; I166-I213 HydrophobicContact CD1-CB 4.25Å; I166-I213 HydrophobicContact CD1-CD1 3.46Å; I166-I213 VanDerWaalsContact CD1-CD1 3.46Å; I166-I213 HydrophobicContact CD1-CG1 3.53Å; I166-I213 HydrophobicContact CD1-CG2 3.72Å
167	H	97.1	Very high	93.6	Very high	9 Å²	9	23 Å²	23	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	152	174	-60.1	-67.6	0	0	0	110.4	F140 I159 L176	F140-H167 HydrophobicContact CE1-CB 4.2Å; I159-H167 PolarHBondContact N-O 2.87Å; I159-H167 PolarHBondContact O-N 3.15Å; H167-L176 HydrophobicContact CB-CD2 3.99Å
168	I	96.8	Very high	93.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.1	-178.4	-52.7	-178.4	0	0	0	108.6	W156 L157 Y158 S177 Y179 F1063	W156-I168 HydrophobicContact CB-CG2 4.21Å; W156-I168 HydrophobicContact CD2-CG2 4.39Å; W156-I168 HydrophobicContact CE3-CG2 3.69Å; W156-I168 HydrophobicContact CZ3-CG2 4.4Å; L157-I168 CarbonylContact O-C 3.57Å; L157-I168 WeakPolarHBondContact O-CA 3.34Å; Y158-I168 HydrophobicContact CD1-CD1 4.14Å; Y158-I168 HydrophobicContact CD1-CG1 3.91Å; Y158-I168 HydrophobicContact CE1-CD1 3.93Å; Y158-I168 HydrophobicContact CE1-CG1 4.2Å; I168-S177 PolarHBondContact O-N 2.93Å; I168-Y179 HydrophobicContact CD1-CD1 3.42Å; I168-Y179 VanDerWaalsContact CD1-CD1 3.42Å; I168-Y179 HydrophobicContact CD1-CE1 4.07Å; I168-Y179 HydrophobicContact CD1-CG 4.07Å; I168-Y179 HydrophobicContact CG1-CD1 4.47Å; I168-F1063 HydrophobicContact CD1-CD1 3.54Å; I168-F1063 HydrophobicContact CD1-CD2 4.36Å; I168-F1063 HydrophobicContact CD1-CE1 3.35Å; I168-F1063 HydrophobicContact CD1-CE2 4.19Å; I168-F1063 HydrophobicContact CD1-CG 4.06Å; I168-F1063 HydrophobicContact CD1-CZ 3.7Å; I168-F1063 HydrophobicContact CG2-CB 4.41Å; I168-F1063 HydrophobicContact CG2-CD2 4.06Å; I168-F1063 HydrophobicContact CG2-CE2 4.49Å; I168-F1063 HydrophobicContact CG2-CG 4.14Å
169	V	95.5	Very high	93.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.9	179.3	174	0	0	0	0	109.3	L138 F140 W156 L157 I159 F174 M175 L176	L138-V169 HydrophobicContact CD1-CB 4.47Å; L138-V169 HydrophobicContact CD1-CG1 3.6Å; L138-V169 HydrophobicContact CD1-CG2 3.95Å; F140-V169 HydrophobicContact CZ-CG2 4.47Å; W156-V169 CarbonylContact C-O 3.59Å; W156-V169 WeakPolarHBondContact CA-O 3.29Å; L157-V169 HydrophobicContact CB-CB 4.31Å; L157-V169 PolarHBondContact N-O 3.47Å; L157-V169 PolarHBondContact O-N 3.24Å; I159-V169 HydrophobicContact CD1-CB 4.4Å; I159-V169 HydrophobicContact CD1-CG2 3.55Å; I159-V169 HydrophobicContact CG1-CG2 4.5Å; V169-F174 HydrophobicContact CG1-CD2 4.36Å; V169-M175 WeakPolarHBondContact CA-O 3.3Å; V169-L176 HydrophobicContact CG2-CD2 3.61Å; V169-L176 HydrophobicContact CG2-CG 4.26Å
170	N	91.9	Very high	93.2	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.064	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.3	167.1	-178.1	-77.9	0	0	0	108.5	K155 W156 E172 S173 F174 M175	K155-N170 CarbonylContact O-C 3.49Å; K155-N170 WeakPolarHBondContact O-CA 3.31Å; W156-N170 HydrophobicContact CE3-CB 3.81Å; W156-N170 HydrophobicContact CH2-CB 3.88Å; W156-N170 HydrophobicContact CZ3-CB 3.46Å; W156-N170 VanDerWaalsContact CZ3-CB 3.46Å; N170-E172 PolarHBondContact O-N 2.7Å; N170-E172 WeakPolarHBondContact OD1-CB 3.23Å; N170-E172 PolarHBondContact OD1-N 3.47Å; N170-E172 VanDerWaalsContact OD1-N 3.16Å; N170-S173 WeakPolarHBondContact CB-OG 3.37Å; N170-S173 VanDerWaalsContact CG-OG 3.27Å; N170-S173 PolarHBondContact OD1-N 3.19Å; N170-S173 PolarHBondContact OD1-OG 2.81Å; N170-F174 WeakPolarHBondContact O-CA 3.26Å; N170-F174 PolarHBondContact O-N 3.44Å; N170-M175 PolarHBondContact N-O 3.43Å; N170-M175 PolarHBondContact O-N 3.08Å
171	V	88.3	Confident	93.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.4	-173.9	-56.5	0	0	0	0	113.6	L107 L124 L150 K155 L157	L107-V171 HydrophobicContact CD2-CG2 3.95Å; L124-V171 WeakPolarHBondContact CD2-O 3.32Å; L150-V171 HydrophobicContact CD1-CG1 4.22Å; K155-V171 HydrophobicContact CB-CG2 4.21Å; K155-V171 WeakPolarHBondContact O-CG2 3.21Å; K155-V171 PolarHBondContact O-N 2.98Å; L157-V171 HydrophobicContact CB-CG1 3.66Å
172	E	82.4	Confident	92.9	Very high	40 Å²	40	30.3 Å²	30.3	19%	0.187	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-48.4	177.6	-65.9	172.7	165.8	0	0	111.5	K155 N170 V1096 L1099	K155-E172 HydrophobicContact CB-CG 4.16Å; K155-E172 HydrophobicContact CD-CG 4.47Å; K155-E172 WeakPolarHBondContact CD-OE2 3.03Å; K155-E172 IonicContact NZ-OE2 2.62Å; N170-E172 PolarHBondContact O-N 2.7Å; N170-E172 WeakPolarHBondContact OD1-CB 3.23Å; N170-E172 PolarHBondContact OD1-N 3.47Å; N170-E172 VanDerWaalsContact OD1-N 3.16Å; E172-V1096 HydrophobicContact CB-CG1 3.86Å; E172-V1096 HydrophobicContact CG-CG1 4.44Å; E172-V1096 WeakPolarHBondContact O-CG1 3.37Å; E172-L1099 HydrophobicContact CG-CD2 4.4Å
173	S	82.4	Confident	92.8	Very high	59 Å²	59	29.1 Å²	29.1	41%	0.413	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-16.3	177.3	60.3	0	0	0	0	113.2	N170 M175	N170-S173 WeakPolarHBondContact CB-OG 3.37Å; N170-S173 VanDerWaalsContact CG-OG 3.27Å; N170-S173 PolarHBondContact OD1-N 3.19Å; N170-S173 PolarHBondContact OD1-OG 2.81Å; S173-M175 VanDerWaalsContact C-N 3.27Å; S173-M175 PolarHBondContact O-N 3.33Å
174	F	87.8	Confident	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.8	-173.1	-138.1	-116.2	0	0	0	113.1	V122 L124 H136 S137 L138 V169 N170 H1078	V122-F174 HydrophobicContact CB-CZ 4.21Å; V122-F174 HydrophobicContact CG1-CZ 3.9Å; V122-F174 WeakPolarHBondContact O-CE1 3.45Å; L124-F174 HydrophobicContact CB-CD2 4.11Å; L124-F174 HydrophobicContact CB-CE2 3.79Å; L124-F174 HydrophobicContact CB-CZ 4.21Å; H136-F174 HydrophobicContact CB-CB 3.59Å; H136-F174 HydrophobicContact CB-CD1 3.35Å; H136-F174 HydrophobicContact CB-CD2 4.29Å; H136-F174 HydrophobicContact CB-CE1 4.08Å; H136-F174 HydrophobicContact CB-CG 3.49Å; H136-F174 VanDerWaalsContact CB-CG 3.49Å; S137-F174 VanDerWaalsContact C-CE1 3.48Å; L138-F174 HydrophobicContact CB-CD1 4.13Å; L138-F174 HydrophobicContact CB-CE1 3.72Å; L138-F174 HydrophobicContact CD1-CD1 3.62Å; L138-F174 HydrophobicContact CD1-CE1 3.74Å; L138-F174 HydrophobicContact CD1-CG 4.09Å; L138-F174 HydrophobicContact CD1-CZ 4.29Å; L138-F174 WeakPolarHBondContact CD1-O 3.16Å; L138-F174 HydrophobicContact CG-CD1 3.43Å; L138-F174 VanDerWaalsContact CG-CD1 3.43Å; L138-F174 HydrophobicContact CG-CE1 3.56Å; L138-F174 HydrophobicContact CG-CG 4.32Å; V169-F174 HydrophobicContact CG1-CD2 4.36Å; N170-F174 WeakPolarHBondContact O-CA 3.26Å; N170-F174 PolarHBondContact O-N 3.44Å; F174-H1078 PolarHBondContact O-CD2 3.37Å
175	M	87.8	Confident	92.4	Very high	103 Å²	103	32.1 Å²	32.1	51%	0.507	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.8	-178.4	-70.4	-68.3	-67.6	0	0	111.5	V169 N170 S173	V169-M175 WeakPolarHBondContact CA-O 3.3Å; N170-M175 PolarHBondContact N-O 3.43Å; N170-M175 PolarHBondContact O-N 3.08Å; S173-M175 VanDerWaalsContact C-N 3.27Å; S173-M175 PolarHBondContact O-N 3.33Å
176	L	92.8	Very high	92.2	Very high	22 Å²	22	31.4 Å²	31.4	12%	0.115	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.7	174.6	-78	164	0	0	0	111.6	F140 H167 V169 A1071 L1075 A1076	F140-L176 HydrophobicContact CE1-CD2 4.16Å; F140-L176 HydrophobicContact CZ-CD2 3.93Å; H167-L176 HydrophobicContact CB-CD2 3.99Å; V169-L176 HydrophobicContact CG2-CD2 3.61Å; V169-L176 HydrophobicContact CG2-CG 4.26Å; L176-A1071 HydrophobicContact CB-CB 3.35Å; L176-A1071 HydrophobicContact CD1-CB 4.33Å; L176-A1071 HydrophobicContact CG-CB 4.46Å; L176-L1075 HydrophobicContact CD1-CB 4.32Å; L176-L1075 HydrophobicContact CD1-CD2 3.9Å; L176-L1075 HydrophobicContact CD1-CG 4.08Å; L176-A1076 HydrophobicContact CD1-CB 3.58Å
177	S	95.1	Very high	91.7	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	147.1	165.8	-178	0	0	0	0	110.9	I168 Y179 F1063 A1068	I168-S177 PolarHBondContact O-N 2.93Å; S177-Y179 PolarHBondContact O-N 3.39Å; S177-Y179 WeakPolarHBondContact OG-CB 3.43Å; S177-Y179 PolarHBondContact OG-N 2.86Å; S177-F1063 WeakPolarHBondContact CB-O 3.45Å; S177-F1063 WeakPolarHBondContact OG-CA 3.4Å; S177-F1063 PolarHBondContact OG-O 3.24Å; S177-A1068 WeakPolarHBondContact OG-CB 3.46Å
178	G	93.6	Very high	90.9	Very high	25 Å²	25	36.9 Å²	36.9	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	-9.9	165.9	0	0	0	0	0	113.7	V180 A1068 G1069	G178-V180 PolarHBondContact O-N 3.24Å; G178-A1068 CarbonylContact C-O 3.54Å; G178-A1068 WeakPolarHBondContact CA-O 3.37Å; G178-G1069 WeakPolarHBondContact CA-O 3.42Å; G178-G1069 PolarHBondContact N-O 2.76Å; G178-G1069 VanDerWaalsContact N-O 3.09Å
179	Y	95.4	Very high	89.2	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	118.7	175.7	-168.1	-66.9	0	0	0	109.5	I168 S177 I181 W223 L225 K228 F1063	I168-Y179 HydrophobicContact CD1-CD1 3.42Å; I168-Y179 VanDerWaalsContact CD1-CD1 3.42Å; I168-Y179 HydrophobicContact CD1-CE1 4.07Å; I168-Y179 HydrophobicContact CD1-CG 4.07Å; I168-Y179 HydrophobicContact CG1-CD1 4.47Å; S177-Y179 PolarHBondContact O-N 3.39Å; S177-Y179 WeakPolarHBondContact OG-CB 3.43Å; S177-Y179 PolarHBondContact OG-N 2.86Å; Y179-I181 HydrophobicContact CD1-CG1 4.46Å; Y179-I181 HydrophobicContact CE1-CD1 4.42Å; Y179-I181 HydrophobicContact CE1-CG1 3.72Å; Y179-W223 PolarHBondContact OH-NE1 3.33Å; Y179-L225 PolarHBondContact OH-O 3.43Å; Y179-K228 HydrophobicContact CD2-CD 4.3Å; Y179-K228 HydrophobicContact CE2-CD 3.58Å; Y179-K228 HydrophobicContact CE2-CG 3.81Å; Y179-K228 WeakPolarHBondContact OH-CG 3.32Å; Y179-F1063 HydrophobicContact CD1-CD1 4.11Å; Y179-F1063 AromaticContact CD1-CE1 3.92Å; Y179-F1063 HydrophobicContact CD1-CE1 3.92Å; Y179-F1063 AromaticContact CD2-CD1 3.83Å; Y179-F1063 HydrophobicContact CD2-CD1 3.83Å; Y179-F1063 AromaticContact CD2-CE1 3.95Å; Y179-F1063 HydrophobicContact CD2-CE1 3.95Å; Y179-F1063 HydrophobicContact CE1-CE1 4.1Å; Y179-F1063 HydrophobicContact CE2-CD1 4.44Å; Y179-F1063 HydrophobicContact CE2-CE1 4.11Å; Y179-F1063 AromaticContact CG-CD1 3.67Å; Y179-F1063 HydrophobicContact CG-CD1 3.67Å; Y179-F1063 AromaticContact CG-CE1 3.88Å; Y179-F1063 HydrophobicContact CG-CE1 3.88Å
180	V	94.6	Very high	87.8	Confident	48 Å²	48	48 Å²	48	29%	0.291	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.3	178.8	-177.9	0	0	0	0	109.5	I166 G178 M182	I166-V180 WeakPolarHBondContact O-CG1 3.36Å; G178-V180 PolarHBondContact O-N 3.24Å; V180-M182 HydrophobicContact CG1-CG 4.36Å; V180-M182 HydrophobicContact CG1-SD 3.71Å
181	I	96.3	Very high	86.6	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.9	170.3	-51	172.5	0	0	0	107.3	I166 Y179 A186 L211 I213 W223 L225	I166-I181 HydrophobicContact CB-CB 4.1Å; I166-I181 HydrophobicContact CD1-CB 4.39Å; I166-I181 HydrophobicContact CD1-CD1 4.27Å; I166-I181 PolarHBondContact N-O 3.43Å; I166-I181 PolarHBondContact O-N 2.96Å; Y179-I181 HydrophobicContact CD1-CG1 4.46Å; Y179-I181 HydrophobicContact CE1-CD1 4.42Å; Y179-I181 HydrophobicContact CE1-CG1 3.72Å; I181-A186 HydrophobicContact CG2-CB 4.38Å; I181-L211 HydrophobicContact CD1-CD2 3.82Å; I181-I213 HydrophobicContact CD1-CD1 4.18Å; I181-I213 HydrophobicContact CG2-CD1 3.88Å; I181-W223 HydrophobicContact CD1-CG 4.27Å; I181-W223 HydrophobicContact CG1-CZ2 4.47Å; I181-W223 HydrophobicContact CG2-CD2 3.92Å; I181-W223 HydrophobicContact CG2-CE3 4.14Å; I181-W223 HydrophobicContact CG2-CG 4.49Å; I181-W223 HydrophobicContact CG2-CH2 4.17Å; I181-W223 HydrophobicContact CG2-CZ2 3.96Å; I181-W223 HydrophobicContact CG2-CZ3 4.28Å; I181-L225 HydrophobicContact CD1-CD2 4.31Å
182	M	94.1	Very high	85.5	Confident	74 Å²	74	59.6 Å²	59.6	37%	0.365	31%	0.311	S	S	.	.			trans	-84.1	134.3	179.1	-58.8	-70.8	-74.7	0	0	109.7	N165 V180 N184 K185 A186	N165-M182 WeakPolarHBondContact OD1-CA 3.42Å; V180-M182 HydrophobicContact CG1-CG 4.36Å; V180-M182 HydrophobicContact CG1-SD 3.71Å; M182-N184 WeakPolarHBondContact CB-OD1 3.07Å; M182-N184 PolarHBondContact O-N 2.81Å; M182-K185 HydrophobicContact CB-CG 4.44Å; M182-K185 PolarHBondContact O-N 3.17Å; M182-A186 PolarHBondContact O-N 3.41Å; M182-A186 VanDerWaalsContact O-N 3.1Å
183	W	93.8	Very high	85.6	Confident	59 Å²	59	61.2 Å²	61.2	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-55.3	-39.1	-177.6	67.5	-97.8	0	0	0	112.4	G164 N165 K185 A186 I187 H194 P195 F215	G164-W183 WeakPolarHBondContact O-CB 3.45Å; N165-W183 VanDerWaalsContact OD1-CD1 3.31Å; N165-W183 PolarHBondContact OD1-N 3.41Å; W183-K185 PolarHBondContact O-N 3.24Å; W183-A186 WeakPolarHBondContact O-CB 3.3Å; W183-A186 PolarHBondContact O-N 2.97Å; W183-A186 VanDerWaalsContact O-N 3.08Å; W183-I187 HydrophobicContact CE3-CD1 3.76Å; W183-I187 HydrophobicContact CE3-CG1 4Å; W183-I187 HydrophobicContact CZ3-CD1 3.67Å; W183-I187 HydrophobicContact CZ3-CG1 4.23Å; W183-I187 WeakPolarHBondContact O-CG1 3.28Å; W183-I187 PolarHBondContact O-N 3.24Å; W183-H194 AromaticContact CD1-NE2 3.91Å; W183-H194 AromaticContact CE2-CD2 3.49Å; W183-H194 VanDerWaalsContact CE2-CD2 3.49Å; W183-H194 AromaticContact CE2-NE2 3.74Å; W183-H194 AromaticContact CZ2-CD2 3.5Å; W183-H194 VanDerWaalsContact CZ2-CD2 3.5Å; W183-H194 WeakPolarHBondContact CZ2-CD2 3.48Å; W183-H194 AromaticContact NE1-CD2 3.77Å; W183-H194 AromaticContact NE1-NE2 3.55Å; W183-P195 HydrophobicContact CB-CG 4.01Å; W183-P195 HydrophobicContact CD2-CG 4.3Å; W183-P195 HydrophobicContact CE3-CG 3.87Å; W183-P195 HydrophobicContact CG-CG 4.41Å; W183-F215 HydrophobicContact CB-CE1 4.14Å; W183-F215 HydrophobicContact CB-CZ 4.38Å
184	N	91.1	Very high	86	Confident	66 Å²	66	62.6 Å²	62.6	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-69.1	-19	-177.9	67.1	-17	0	0	0	113.7	M182 L189	M182-N184 WeakPolarHBondContact CB-OD1 3.07Å; M182-N184 PolarHBondContact O-N 2.81Å; N184-L189 WeakPolarHBondContact O-CD2 3.22Å
185	K	90.6	Very high	86.2	Confident	127 Å²	127	62.6 Å²	62.6	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-88.6	-34	169.8	-67.5	-173.1	176.8	-177.4	0	111.6	M182 W183 W223 R233	M182-K185 HydrophobicContact CB-CG 4.44Å; M182-K185 PolarHBondContact O-N 3.17Å; W183-K185 PolarHBondContact O-N 3.24Å; K185-W223 HydrophobicContact CB-CH2 4.03Å; K185-W223 HydrophobicContact CB-CZ3 4.3Å; K185-R233 PolarHBondContact O-NH2 2.89Å
186	A	91	Very high	86.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-43.3	178	0	0	0	0	0	111.1	I181 M182 W183 F215 V221 W223 R233	I181-A186 HydrophobicContact CG2-CB 4.38Å; M182-A186 PolarHBondContact O-N 3.41Å; M182-A186 VanDerWaalsContact O-N 3.1Å; W183-A186 WeakPolarHBondContact O-CB 3.3Å; W183-A186 PolarHBondContact O-N 2.97Å; W183-A186 VanDerWaalsContact O-N 3.08Å; A186-F215 HydrophobicContact CB-CE2 4.23Å; A186-F215 HydrophobicContact CB-CZ 4.04Å; A186-V221 HydrophobicContact CB-CG1 4.45Å; A186-V221 HydrophobicContact CB-CG2 4.44Å; A186-W223 HydrophobicContact CB-CE3 4.22Å; A186-W223 HydrophobicContact CB-CZ3 4.23Å; A186-R233 PolarHBondContact O-NE 3Å; A186-R233 PolarHBondContact O-NH2 3.2Å
187	I	88.3	Confident	86.7	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.311	C	S	.	.	S	Bend	trans	-86.4	175.8	175.8	76.2	163.9	0	0	0	112.1	W183 P195 F215 I219 R233	W183-I187 HydrophobicContact CE3-CD1 3.76Å; W183-I187 HydrophobicContact CE3-CG1 4Å; W183-I187 HydrophobicContact CZ3-CD1 3.67Å; W183-I187 HydrophobicContact CZ3-CG1 4.23Å; W183-I187 WeakPolarHBondContact O-CG1 3.28Å; W183-I187 PolarHBondContact O-N 3.24Å; I187-P195 HydrophobicContact CD1-CG 4.34Å; I187-P195 HydrophobicContact CG2-CB 3.91Å; I187-P195 HydrophobicContact CG2-CG 3.93Å; I187-F215 HydrophobicContact CG2-CD2 4.4Å; I187-F215 HydrophobicContact CG2-CE2 4.09Å; I187-I219 HydrophobicContact CG2-CD1 4.45Å; I187-I219 HydrophobicContact CG2-CG2 4.31Å; I187-R233 PolarHBondContact O-NH2 3.33Å
188	E	79.1	Confident	86.9	Confident	120 Å²	120	58.2 Å²	58.2	56%	0.561	31%	0.309	S	S	*	.			trans	-70.1	128.8	178.3	-155.1	-176.2	155.7	0	0	110.5	S190 S191	E188-S190 VanDerWaalsContact CG-OG 3.27Å; E188-S190 WeakPolarHBondContact CG-OG 3.43Å; E188-S190 PolarHBondContact O-N 3.27Å; E188-S190 VanDerWaalsContact O-N 3.12Å; E188-S190 PolarHBondContact OE1-OG 3.48Å; E188-S191 WeakPolarHBondContact O-CB 3.35Å; E188-S191 PolarHBondContact O-N 3.32Å
189	L	62.5	Low	87.1	Confident	153 Å²	153	58.4 Å²	58.4	80%	0.801	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.7	-177.6	-72.9	166.1	0	0	0	113.7	N184 S191	N184-L189 WeakPolarHBondContact O-CD2 3.22Å; L189-S191 VanDerWaalsContact C-N 3.34Å
190	S	64.4	Low	87.2	Confident	82 Å²	82	59.3 Å²	59.3	57%	0.573	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.4	176.1	57.4	0	0	0	0	112.7	E188 K192	E188-S190 VanDerWaalsContact CG-OG 3.27Å; E188-S190 WeakPolarHBondContact CG-OG 3.43Å; E188-S190 PolarHBondContact O-N 3.27Å; E188-S190 VanDerWaalsContact O-N 3.12Å; E188-S190 PolarHBondContact OE1-OG 3.48Å; S190-K192 PolarHBondContact O-N 3.43Å
191	S	68.2	Low	87.4	Confident	43 Å²	43	57.1 Å²	57.1	30%	0.301	30%	0.296	S	S	.	.			trans	-75	119.5	179.5	-172.9	0	0	0	0	110.5	E188 L189 S193	E188-S191 WeakPolarHBondContact O-CB 3.35Å; E188-S191 PolarHBondContact O-N 3.32Å; L189-S191 VanDerWaalsContact C-N 3.34Å; S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact OG-OG 2.88Å; S191-S193 VanDerWaalsContact OG-OG 3.11Å
192	K	65	Low	87.4	Confident	214 Å²	214	57.5 Å²	57.5	93%	0.93	30%	0.299	S	S	*	.			trans	-85.1	-6.6	175.5	-66.9	-174.3	179.9	178.7	0	113.1	S190	S190-K192 PolarHBondContact O-N 3.43Å
193	S	83.9	Confident	87.4	Confident	74 Å²	74	54.9 Å²	54.9	52%	0.517	29%	0.286	S	S	.	.	S	Bend	trans	-91.1	135.5	-179.9	53.6	0	0	0	0	111.3	S191	S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact OG-OG 2.88Å; S191-S193 VanDerWaalsContact OG-OG 3.11Å
194	H	90.6	Very high	87.5	Confident	88 Å²	88	52.6 Å²	52.6	41%	0.407	28%	0.278	S	S	.	.			trans	-68.7	135.1	172.3	-168.8	-82.9	0	0	0	109.4	R163 W183 G196	R163-H194 PolarHBondContact O-CE1 2.78Å; R163-H194 PolarHBondContact O-NE2 3.12Å; R163-H194 VanDerWaalsContact O-NE2 3.11Å; W183-H194 AromaticContact CD1-NE2 3.91Å; W183-H194 AromaticContact CE2-CD2 3.49Å; W183-H194 VanDerWaalsContact CE2-CD2 3.49Å; W183-H194 AromaticContact CE2-NE2 3.74Å; W183-H194 AromaticContact CZ2-CD2 3.5Å; W183-H194 VanDerWaalsContact CZ2-CD2 3.5Å; W183-H194 WeakPolarHBondContact CZ2-CD2 3.48Å; W183-H194 AromaticContact NE1-CD2 3.77Å; W183-H194 AromaticContact NE1-NE2 3.55Å; H194-G196 WeakPolarHBondContact ND1-CA 3.41Å; H194-G196 PolarHBondContact ND1-N 3.49Å; H194-G196 PolarHBondContact O-N 3.43Å
195	P	92.6	Very high	87.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.			trans	-79.1	-7	-175.4	33.7	-35.9	0	0	0	113.2	W183 I187 F215 S217 I219	W183-P195 HydrophobicContact CB-CG 4.01Å; W183-P195 HydrophobicContact CD2-CG 4.3Å; W183-P195 HydrophobicContact CE3-CG 3.87Å; W183-P195 HydrophobicContact CG-CG 4.41Å; I187-P195 HydrophobicContact CD1-CG 4.34Å; I187-P195 HydrophobicContact CG2-CB 3.91Å; I187-P195 HydrophobicContact CG2-CG 3.93Å; P195-F215 HydrophobicContact CB-CB 3.86Å; P195-F215 HydrophobicContact CB-CD1 3.88Å; P195-F215 HydrophobicContact CB-CD2 4.21Å; P195-F215 HydrophobicContact CB-CE1 4.48Å; P195-F215 HydrophobicContact CB-CG 3.73Å; P195-F215 HydrophobicContact CG-CD1 3.74Å; P195-F215 HydrophobicContact CG-CE1 3.93Å; P195-F215 HydrophobicContact CG-CG 4.08Å; P195-F215 HydrophobicContact CG-CZ 4.44Å; P195-F215 WeakPolarHBondContact O-CB 3.24Å; P195-S217 WeakPolarHBondContact O-CB 3.35Å; P195-S217 PolarHBondContact O-N 3.04Å; P195-S217 VanDerWaalsContact O-N 3.13Å; P195-S217 PolarHBondContact O-OG 3.02Å; P195-S217 VanDerWaalsContact O-OG 3.06Å; P195-I219 HydrophobicContact CB-CD1 4.29Å
196	G	94.4	Very high	87.5	Confident	13 Å²	13	47 Å²	47	13%	0.134	25%	0.254	C	S	.	.			trans	88.6	-168.8	-179.4	0	0	0	0	0	112.9	G164 H194	G164-G196 WeakPolarHBondContact CA-O 3.2Å; H194-G196 WeakPolarHBondContact ND1-CA 3.41Å; H194-G196 PolarHBondContact ND1-N 3.49Å; H194-G196 PolarHBondContact O-N 3.43Å
197	P	96.9	Very high	87.4	Confident	26 Å²	26	49.1 Å²	49.1	17%	0.169	27%	0.265	C	S	.	.	S	Bend	trans	-55	149.6	175.2	-27	36.6	0	0	0	113.7	T146 E162 V199 F215 E216	T146-P197 HydrophobicContact CG2-CB 4.32Å; E162-P197 HydrophobicContact CG-CG 4.11Å; E162-P197 WeakPolarHBondContact O-CA 3.38Å; P197-V199 PolarHBondContact O-N 2.74Å; P197-F215 WeakPolarHBondContact O-CA 3.33Å; P197-E216 WeakPolarHBondContact CD-OE2 3.27Å; P197-E216 PolarHBondContact O-N 2.92Å
198	V	98.3	Very high	87.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.7	164.4	-174.3	0	0	0	0	108.5	T146 T161 G164 I166 I201 I213 F215	T146-V198 WeakPolarHBondContact CB-O 2.89Å; T146-V198 PolarHBondContact OG1-O 3.37Å; T161-V198 PolarHBondContact O-N 3.05Å; G164-V198 VanDerWaalsContact C-CG2 3.5Å; G164-V198 WeakPolarHBondContact O-CG2 3.3Å; I166-V198 HydrophobicContact CG1-CG2 4.1Å; V198-I201 HydrophobicContact CG1-CD1 3.93Å; V198-I201 HydrophobicContact CG1-CG1 3.6Å; V198-I213 HydrophobicContact CG1-CG2 4.28Å; V198-F215 HydrophobicContact CG2-CD1 4.46Å; V198-F215 HydrophobicContact CG2-CE1 4.14Å
199	V	97.7	Very high	87.8	Confident	30 Å²	30	46.3 Å²	46.3	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-19.4	179.2	-62.4	0	0	0	0	112.6	F147 P197 G214 E216 I240	F147-V199 WeakPolarHBondContact CD2-O 3.18Å; F147-V199 WeakPolarHBondContact CE2-O 3.33Å; P197-V199 PolarHBondContact O-N 2.74Å; V199-G214 WeakPolarHBondContact CG2-O 3.09Å; V199-G214 PolarHBondContact N-O 3.25Å; V199-E216 HydrophobicContact CG1-CB 3.87Å; V199-E216 HydrophobicContact CG1-CG 4.49Å; V199-I240 HydrophobicContact CG2-CB 4.5Å; V199-I240 HydrophobicContact CG2-CG2 4.2Å
200	H	98.1	Very high	89.3	Confident	23 Å²	23	40.5 Å²	40.5	11%	0.106	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	142.7	179.6	-166.4	88.2	0	0	0	112.7	F147 S202 G214 V243	F147-H200 AromaticContact CZ-ND1 3.75Å; H200-S202 PolarHBondContact CD2-OG 3.2Å; H200-S202 WeakPolarHBondContact NE2-CB 3.48Å; H200-S202 PolarHBondContact NE2-OG 2.88Å; H200-G214 PolarHBondContact N-O 2.88Å; H200-G214 PolarHBondContact O-N 3.31Å; H200-V243 HydrophobicContact CB-CB 4.28Å; H200-V243 HydrophobicContact CB-CG2 4.06Å; H200-V243 PolarHBondContact CE1-O 2.94Å; H200-V243 PolarHBondContact ND1-O 2.86Å; H200-V243 PolarHBondContact NE2-O 2.66Å
201	I	98.3	Very high	90.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.8	172.4	-57.4	174	0	0	0	107.9	F147 H149 Y158 I166 V198 L211 I212	F147-I201 HydrophobicContact CD1-CB 3.94Å; F147-I201 HydrophobicContact CD1-CD1 4.41Å; F147-I201 HydrophobicContact CD1-CG1 4.08Å; F147-I201 HydrophobicContact CE1-CB 4.15Å; F147-I201 VanDerWaalsContact CE1-N 3.34Å; F147-I201 WeakPolarHBondContact CE1-O 3.21Å; H149-I201 HydrophobicContact CB-CB 3.91Å; H149-I201 HydrophobicContact CB-CG2 3.89Å; H149-I201 WeakPolarHBondContact CB-O 3.12Å; H149-I201 VanDerWaalsContact CG-O 3.26Å; Y158-I201 HydrophobicContact CD2-CG2 4.39Å; Y158-I201 HydrophobicContact CG-CG2 4.22Å; I166-I201 HydrophobicContact CB-CD1 4.49Å; I166-I201 HydrophobicContact CD1-CD1 3.97Å; I166-I201 HydrophobicContact CD1-CG1 4.17Å; I166-I201 HydrophobicContact CG1-CD1 3.93Å; I166-I201 HydrophobicContact CG2-CD1 3.8Å; V198-I201 HydrophobicContact CG1-CD1 3.93Å; V198-I201 HydrophobicContact CG1-CG1 3.6Å; I201-L211 HydrophobicContact CG2-CD1 3.56Å; I201-L211 HydrophobicContact CG2-CD2 3.93Å; I201-L211 HydrophobicContact CG2-CG 4.07Å; I201-I212 WeakPolarHBondContact CA-O 3.48Å
202	S	96.9	Very high	92.2	Very high	11 Å²	11	34.6 Å²	34.6	8%	0.077	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	139.7	171.9	51	0	0	0	0	113.7	H200 L211 I212 W245	H200-S202 PolarHBondContact CD2-OG 3.2Å; H200-S202 WeakPolarHBondContact NE2-CB 3.48Å; H200-S202 PolarHBondContact NE2-OG 2.88Å; S202-L211 VanDerWaalsContact C-CD1 3.44Å; S202-L211 WeakPolarHBondContact O-CD1 3.49Å; S202-I212 PolarHBondContact N-O 3.16Å; S202-I212 VanDerWaalsContact N-O 3.1Å; S202-I212 PolarHBondContact O-N 3Å; S202-W245 PolarHBondContact O-NE1 3.39Å; S202-W245 VanDerWaalsContact OG-CD1 3.27Å; S202-W245 PolarHBondContact OG-NE1 3.08Å; S202-W245 VanDerWaalsContact OG-NE1 3.08Å
203	D	94.4	Very high	93.8	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.102	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146	174.7	-74.7	0.8	0	0	0	111.3	H149 P151 P205 L211 W245 R1059	H149-D203 PolarHBondContact NE2-N 2.82Å; P151-D203 WeakPolarHBondContact CB-OD2 3.46Å; P151-D203 WeakPolarHBondContact CG-OD2 3.45Å; D203-P205 WeakPolarHBondContact O-CD 3.23Å; D203-L211 WeakPolarHBondContact OD1-CD1 3.41Å; D203-W245 PolarHBondContact O-NE1 2.83Å; D203-W245 VanDerWaalsContact O-NE1 3.12Å; D203-R1059 IonicContact OD2-CZ 2.69Å; D203-R1059 IonicContact OD2-NH2 3.24Å; D203-R1059 PolarHBondContact OD2-NH2 2.84Å
204	N	94.7	Very high	94.4	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.053	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	124.5	170.2	-178.6	-40.8	0	0	0	109.1	M206 D207 K210 W245 G249 I266	N204-M206 PolarHBondContact O-N 2.84Å; N204-M206 VanDerWaalsContact O-N 3.08Å; N204-M206 PolarHBondContact OD1-N 3.32Å; N204-D207 HydrophobicContact CB-CB 4.38Å; N204-D207 WeakPolarHBondContact CB-O 3.15Å; N204-D207 CarbonylContact O-C 3.58Å; N204-D207 PolarHBondContact O-N 3.12Å; N204-D207 PolarHBondContact OD1-N 3.45Å; N204-K210 HydrophobicContact CB-CB 3.93Å; N204-K210 PolarHBondContact N-O 2.57Å; N204-W245 HydrophobicContact CB-CH2 4.27Å; N204-W245 HydrophobicContact CB-CZ2 3.93Å; N204-G249 PolarHBondContact ND2-O 3.45Å; N204-G249 VanDerWaalsContact OD1-CA 3.27Å; N204-G249 WeakPolarHBondContact OD1-CA 3.4Å; N204-G249 PolarHBondContact OD1-O 3.48Å; N204-I266 VanDerWaalsContact ND2-CD1 3.33Å; N204-I266 WeakPolarHBondContact ND2-CD1 3.42Å
205	P	92	Very high	94.7	Very high	11 Å²	11	16.7 Å²	16.7	7%	0.071	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.5	-178	-28.2	34.8	0	0	0	114.6	D203 W245 H247 N357	D203-P205 WeakPolarHBondContact O-CD 3.23Å; P205-W245 HydrophobicContact CG-CB 3.78Å; P205-W245 HydrophobicContact CG-CG 4.02Å; P205-H247 WeakPolarHBondContact CB-O 3.46Å; P205-N357 HydrophobicContact CB-CB 3.97Å; P205-N357 WeakPolarHBondContact O-CB 3.15Å
206	M	89.5	Confident	94.9	Very high	64 Å²	64	21.1 Å²	21.1	32%	0.315	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-6.8	-175.3	-75.7	-70.8	-168.4	0	0	114.2	N204 E248 N357	N204-M206 PolarHBondContact O-N 2.84Å; N204-M206 VanDerWaalsContact O-N 3.08Å; N204-M206 PolarHBondContact OD1-N 3.32Å; M206-E248 WeakPolarHBondContact CG-O 3.22Å; M206-N357 HydrophobicContact SD-CB 4.3Å
207	D	89.1	Confident	94.9	Very high	45 Å²	45	23.2 Å²	23.2	24%	0.241	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	95	-178.6	-172	-10.2	0	0	0	110.7	N204 G209 K210	N204-D207 HydrophobicContact CB-CB 4.38Å; N204-D207 WeakPolarHBondContact CB-O 3.15Å; N204-D207 CarbonylContact O-C 3.58Å; N204-D207 PolarHBondContact O-N 3.12Å; N204-D207 PolarHBondContact OD1-N 3.45Å; D207-G209 PolarHBondContact O-N 3.41Å; D207-G209 PolarHBondContact OD1-N 3.13Å; D207-K210 HydrophobicContact CB-CB 4.46Å; D207-K210 HydrophobicContact CB-CG 3.98Å; D207-K210 VanDerWaalsContact CG-CG 3.46Å; D207-K210 PolarHBondContact O-N 3.27Å; D207-K210 WeakPolarHBondContact OD2-CE 3.47Å; D207-K210 WeakPolarHBondContact OD2-CG 3.45Å
208	E	85.9	Confident	94.8	Very high	62 Å²	62	22 Å²	22	29%	0.29	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-17.2	-179.9	-68	162	-143.2	0	0	113.4	K210 R1043 L1057	E208-K210 VanDerWaalsContact C-N 3.26Å; E208-K210 PolarHBondContact O-N 2.95Å; E208-R1043 IonicContact OE1-NH2 3.94Å; E208-R1043 PolarHBondContact OE1-NH2 2.62Å; E208-L1057 HydrophobicContact CB-CB 4.1Å; E208-L1057 VanDerWaalsContact O-CD2 3.22Å; E208-L1057 WeakPolarHBondContact O-CD2 3.41Å
209	G	90.8	Very high	94.6	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-8.7	174.1	0	0	0	0	0	114.9	D207 L225	D207-G209 PolarHBondContact O-N 3.41Å; D207-G209 PolarHBondContact OD1-N 3.13Å; G209-L225 WeakPolarHBondContact O-CB 3.36Å; G209-L225 PolarHBondContact O-N 3.04Å
210	K	94	Very high	94.5	Very high	31 Å²	31	21.9 Å²	21.9	14%	0.135	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.3	-172.5	-52.9	-67.4	-177.7	178.8	0	111.6	N204 D207 E208 L222 W223 D224 D231	N204-K210 HydrophobicContact CB-CB 3.93Å; N204-K210 PolarHBondContact N-O 2.57Å; D207-K210 HydrophobicContact CB-CB 4.46Å; D207-K210 HydrophobicContact CB-CG 3.98Å; D207-K210 VanDerWaalsContact CG-CG 3.46Å; D207-K210 PolarHBondContact O-N 3.27Å; D207-K210 WeakPolarHBondContact OD2-CE 3.47Å; D207-K210 WeakPolarHBondContact OD2-CG 3.45Å; E208-K210 VanDerWaalsContact C-N 3.26Å; E208-K210 PolarHBondContact O-N 2.95Å; K210-L222 HydrophobicContact CB-CD1 4.17Å; K210-W223 WeakPolarHBondContact CA-O 3.48Å; K210-D224 HydrophobicContact CD-CB 4.14Å; K210-D224 WeakPolarHBondContact CE-OD2 3.49Å; K210-D224 IonicContact NZ-OD2 3.89Å; K210-D224 PolarHBondContact NZ-OD2 3.49Å; K210-D231 IonicContact NZ-OD2 3.87Å; K210-D231 PolarHBondContact NZ-OD2 2.87Å
211	L	95.8	Very high	94.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.9	179.8	-175.9	73.3	0	0	0	109.9	Y158 I181 I201 S202 D203 I213 W223	Y158-L211 HydrophobicContact CE2-CD1 4.41Å; I181-L211 HydrophobicContact CD1-CD2 3.82Å; I201-L211 HydrophobicContact CG2-CD1 3.56Å; I201-L211 HydrophobicContact CG2-CD2 3.93Å; I201-L211 HydrophobicContact CG2-CG 4.07Å; S202-L211 VanDerWaalsContact C-CD1 3.44Å; S202-L211 WeakPolarHBondContact O-CD1 3.49Å; D203-L211 WeakPolarHBondContact OD1-CD1 3.41Å; L211-I213 HydrophobicContact CD2-CD1 4.2Å; L211-I213 HydrophobicContact CD2-CG1 3.88Å; L211-I213 HydrophobicContact CG-CG1 4.2Å; L211-W223 HydrophobicContact CB-CB 4.43Å; L211-W223 PolarHBondContact N-O 2.97Å; L211-W223 PolarHBondContact O-N 3.22Å
212	I	97.1	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.3	162.8	-94.2	-177.2	0	0	0	109.7	I201 S202 V220 V221 L222 V243 W245 F252	I201-I212 WeakPolarHBondContact CA-O 3.48Å; S202-I212 PolarHBondContact N-O 3.16Å; S202-I212 VanDerWaalsContact N-O 3.1Å; S202-I212 PolarHBondContact O-N 3Å; I212-V220 HydrophobicContact CD1-CG1 4.28Å; I212-V220 HydrophobicContact CG1-CG1 4.28Å; I212-V220 HydrophobicContact CG2-CG1 3.91Å; I212-V221 WeakPolarHBondContact CA-O 3.48Å; I212-L222 HydrophobicContact CG1-CD1 4.05Å; I212-V243 HydrophobicContact CG2-CG1 4.04Å; I212-W245 HydrophobicContact CB-CZ2 3.74Å; I212-W245 HydrophobicContact CD1-CD2 4.35Å; I212-W245 HydrophobicContact CD1-CE3 4.41Å; I212-W245 HydrophobicContact CD1-CH2 3.24Å; I212-W245 HydrophobicContact CD1-CZ2 3.19Å; I212-W245 HydrophobicContact CD1-CZ3 3.85Å; I212-W245 HydrophobicContact CG1-CH2 3.7Å; I212-W245 HydrophobicContact CG1-CZ2 3.31Å; I212-F252 HydrophobicContact CD1-CB 4.05Å; I212-F252 HydrophobicContact CD1-CD1 3.46Å; I212-F252 VanDerWaalsContact CD1-CD1 3.46Å; I212-F252 HydrophobicContact CD1-CD2 4.04Å; I212-F252 HydrophobicContact CD1-CE1 3.82Å; I212-F252 HydrophobicContact CD1-CE2 4.35Å; I212-F252 HydrophobicContact CD1-CG 3.57Å; I212-F252 HydrophobicContact CD1-CZ 4.25Å
213	I	98.3	Very high	94.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.1	173.9	-55.2	165.7	0	0	0	107.8	I166 I181 V198 L211 F215 V220 V221 W223	I166-I213 HydrophobicContact CD1-CB 4.25Å; I166-I213 HydrophobicContact CD1-CD1 3.46Å; I166-I213 VanDerWaalsContact CD1-CD1 3.46Å; I166-I213 HydrophobicContact CD1-CG1 3.53Å; I166-I213 HydrophobicContact CD1-CG2 3.72Å; I181-I213 HydrophobicContact CD1-CD1 4.18Å; I181-I213 HydrophobicContact CG2-CD1 3.88Å; V198-I213 HydrophobicContact CG1-CG2 4.28Å; L211-I213 HydrophobicContact CD2-CD1 4.2Å; L211-I213 HydrophobicContact CD2-CG1 3.88Å; L211-I213 HydrophobicContact CG-CG1 4.2Å; I213-F215 HydrophobicContact CB-CE2 4.45Å; I213-F215 HydrophobicContact CG2-CD2 4.31Å; I213-F215 HydrophobicContact CG2-CE1 4.2Å; I213-F215 HydrophobicContact CG2-CE2 3.7Å; I213-F215 HydrophobicContact CG2-CZ 3.64Å; I213-V220 CarbonylContact O-C 3.6Å; I213-V220 WeakPolarHBondContact O-CA 3.16Å; I213-V221 HydrophobicContact CB-CB 4.41Å; I213-V221 PolarHBondContact N-O 2.92Å; I213-V221 PolarHBondContact O-N 2.86Å; I213-W223 HydrophobicContact CD1-CB 3.84Å; I213-W223 HydrophobicContact CD1-CG 4.2Å
214	G	97.5	Very high	94.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.9	173	0	0	0	0	0	111	V199 H200	V199-G214 WeakPolarHBondContact CG2-O 3.09Å; V199-G214 PolarHBondContact N-O 3.25Å; H200-G214 PolarHBondContact N-O 2.88Å; H200-G214 PolarHBondContact O-N 3.31Å
215	F	97.4	Very high	94.2	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.5	172.1	-62.2	-80.9	0	0	0	110.8	G164 W183 A186 I187 P195 P197 V198 I213 S217 G218 I219 V221	G164-F215 WeakPolarHBondContact O-CE1 3.36Å; W183-F215 HydrophobicContact CB-CE1 4.14Å; W183-F215 HydrophobicContact CB-CZ 4.38Å; A186-F215 HydrophobicContact CB-CE2 4.23Å; A186-F215 HydrophobicContact CB-CZ 4.04Å; I187-F215 HydrophobicContact CG2-CD2 4.4Å; I187-F215 HydrophobicContact CG2-CE2 4.09Å; P195-F215 HydrophobicContact CB-CB 3.86Å; P195-F215 HydrophobicContact CB-CD1 3.88Å; P195-F215 HydrophobicContact CB-CD2 4.21Å; P195-F215 HydrophobicContact CB-CE1 4.48Å; P195-F215 HydrophobicContact CB-CG 3.73Å; P195-F215 HydrophobicContact CG-CD1 3.74Å; P195-F215 HydrophobicContact CG-CE1 3.93Å; P195-F215 HydrophobicContact CG-CG 4.08Å; P195-F215 HydrophobicContact CG-CZ 4.44Å; P195-F215 WeakPolarHBondContact O-CB 3.24Å; P197-F215 WeakPolarHBondContact O-CA 3.33Å; V198-F215 HydrophobicContact CG2-CD1 4.46Å; V198-F215 HydrophobicContact CG2-CE1 4.14Å; I213-F215 HydrophobicContact CB-CE2 4.45Å; I213-F215 HydrophobicContact CG2-CD2 4.31Å; I213-F215 HydrophobicContact CG2-CE1 4.2Å; I213-F215 HydrophobicContact CG2-CE2 3.7Å; I213-F215 HydrophobicContact CG2-CZ 3.64Å; F215-S217 PolarHBondContact O-N 3.08Å; F215-S217 VanDerWaalsContact O-N 3.15Å; F215-G218 PolarHBondContact O-N 3.49Å; F215-I219 HydrophobicContact CB-CB 4.47Å; F215-I219 HydrophobicContact CD2-CB 4.33Å; F215-I219 HydrophobicContact CD2-CG2 4.25Å; F215-I219 PolarHBondContact N-O 3.38Å; F215-V221 HydrophobicContact CD2-CG2 4.35Å; F215-V221 HydrophobicContact CE2-CG2 3.85Å
216	E	96.4	Very high	94.2	Very high	92 Å²	92	24.2 Å²	24.2	43%	0.43	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.9	-179.1	-173.2	179.4	-157.6	0	0	112.4	P197 V199 G218 A239 I240	P197-E216 WeakPolarHBondContact CD-OE2 3.27Å; P197-E216 PolarHBondContact O-N 2.92Å; V199-E216 HydrophobicContact CG1-CB 3.87Å; V199-E216 HydrophobicContact CG1-CG 4.49Å; E216-G218 PolarHBondContact O-N 3.16Å; E216-A239 WeakPolarHBondContact O-CA 3.41Å; E216-A239 WeakPolarHBondContact O-CB 3.39Å; E216-I240 PolarHBondContact O-N 3.44Å
217	S	94.6	Very high	94.3	Very high	57 Å²	57	24 Å²	24	40%	0.399	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	9.8	-176.8	77.1	0	0	0	0	116	P195 F215	P195-S217 WeakPolarHBondContact O-CB 3.35Å; P195-S217 PolarHBondContact O-N 3.04Å; P195-S217 VanDerWaalsContact O-N 3.13Å; P195-S217 PolarHBondContact O-OG 3.02Å; P195-S217 VanDerWaalsContact O-OG 3.06Å; F215-S217 PolarHBondContact O-N 3.08Å; F215-S217 VanDerWaalsContact O-N 3.15Å
218	G	93.5	Very high	94.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	88.2	7.8	-178.1	0	0	0	0	0	115	F215 E216 Y236 E238 I240	F215-G218 PolarHBondContact O-N 3.49Å; E216-G218 PolarHBondContact O-N 3.16Å; G218-Y236 PolarHBondContact O-N 3.15Å; G218-E238 VanDerWaalsContact CA-O 3.31Å; G218-E238 WeakPolarHBondContact CA-O 3.42Å; G218-I240 VanDerWaalsContact C-CD1 3.47Å
219	I	94.2	Very high	94.8	Very high	25 Å²	25	29.2 Å²	29.2	13%	0.128	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.1	179.1	-59.8	173.1	0	0	0	109.8	I187 P195 F215 V221 Y234 T235	I187-I219 HydrophobicContact CG2-CD1 4.45Å; I187-I219 HydrophobicContact CG2-CG2 4.31Å; P195-I219 HydrophobicContact CB-CD1 4.29Å; F215-I219 HydrophobicContact CB-CB 4.47Å; F215-I219 HydrophobicContact CD2-CB 4.33Å; F215-I219 HydrophobicContact CD2-CG2 4.25Å; F215-I219 PolarHBondContact N-O 3.38Å; I219-V221 HydrophobicContact CG2-CG2 4.01Å; I219-Y234 WeakPolarHBondContact CA-O 3.42Å; I219-T235 HydrophobicContact CG1-CG2 4.44Å
220	V	95.6	Very high	94.9	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.7	168.9	-175	0	0	0	0	109.4	I212 I213 R233 Y234 I240 F252	I212-V220 HydrophobicContact CD1-CG1 4.28Å; I212-V220 HydrophobicContact CG1-CG1 4.28Å; I212-V220 HydrophobicContact CG2-CG1 3.91Å; I213-V220 CarbonylContact O-C 3.6Å; I213-V220 WeakPolarHBondContact O-CA 3.16Å; V220-R233 CarbonylContact O-C 3.52Å; V220-R233 WeakPolarHBondContact O-CA 3.31Å; V220-Y234 HydrophobicContact CB-CD2 4.13Å; V220-Y234 HydrophobicContact CG1-CD2 4.21Å; V220-Y234 PolarHBondContact N-O 2.84Å; V220-Y234 WeakPolarHBondContact O-CD2 3.13Å; V220-Y234 PolarHBondContact O-N 3.43Å; V220-I240 HydrophobicContact CG2-CD1 3.41Å; V220-I240 VanDerWaalsContact CG2-CD1 3.41Å; V220-F252 HydrophobicContact CB-CE2 4.39Å; V220-F252 HydrophobicContact CG1-CE2 3.99Å; V220-F252 HydrophobicContact CG1-CZ 4.14Å; V220-F252 HydrophobicContact CG2-CE2 4.45Å
221	V	95.3	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.5	-178.6	-178.8	0	0	0	0	109.5	A186 I212 I213 F215 I219 W223 A230 R233	A186-V221 HydrophobicContact CB-CG1 4.45Å; A186-V221 HydrophobicContact CB-CG2 4.44Å; I212-V221 WeakPolarHBondContact CA-O 3.48Å; I213-V221 HydrophobicContact CB-CB 4.41Å; I213-V221 PolarHBondContact N-O 2.92Å; I213-V221 PolarHBondContact O-N 2.86Å; F215-V221 HydrophobicContact CD2-CG2 4.35Å; F215-V221 HydrophobicContact CE2-CG2 3.85Å; I219-V221 HydrophobicContact CG2-CG2 4.01Å; V221-W223 HydrophobicContact CG1-CB 4.45Å; V221-A230 HydrophobicContact CG1-CB 3.48Å; V221-A230 VanDerWaalsContact CG1-CB 3.48Å; V221-R233 HydrophobicContact CG2-CG 4.37Å
222	L	95.9	Very high	94.5	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	106.6	161.3	-171.9	78.7	0	0	0	108.4	K210 I212 A230 D231 Y232 Y234 W245 I266	K210-L222 HydrophobicContact CB-CD1 4.17Å; I212-L222 HydrophobicContact CG1-CD1 4.05Å; L222-A230 WeakPolarHBondContact O-CA 3.39Å; L222-D231 HydrophobicContact CD2-CB 4.21Å; L222-D231 PolarHBondContact O-N 3.37Å; L222-Y232 HydrophobicContact CD2-CD2 3.85Å; L222-Y232 PolarHBondContact N-O 3.11Å; L222-Y234 HydrophobicContact CB-CE2 4.3Å; L222-W245 HydrophobicContact CD1-CH2 4.05Å; L222-W245 HydrophobicContact CD1-CZ2 4.34Å; L222-I266 HydrophobicContact CD2-CG2 3.49Å; L222-I266 VanDerWaalsContact CD2-CG2 3.49Å
223	W	96.4	Very high	94.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.7	-177.2	-177.1	-89	0	0	0	111.3	Y179 I181 K185 A186 K210 L211 I213 V221 K228 K229 A230	Y179-W223 PolarHBondContact OH-NE1 3.33Å; I181-W223 HydrophobicContact CD1-CG 4.27Å; I181-W223 HydrophobicContact CG1-CZ2 4.47Å; I181-W223 HydrophobicContact CG2-CD2 3.92Å; I181-W223 HydrophobicContact CG2-CE3 4.14Å; I181-W223 HydrophobicContact CG2-CG 4.49Å; I181-W223 HydrophobicContact CG2-CH2 4.17Å; I181-W223 HydrophobicContact CG2-CZ2 3.96Å; I181-W223 HydrophobicContact CG2-CZ3 4.28Å; K185-W223 HydrophobicContact CB-CH2 4.03Å; K185-W223 HydrophobicContact CB-CZ3 4.3Å; A186-W223 HydrophobicContact CB-CE3 4.22Å; A186-W223 HydrophobicContact CB-CZ3 4.23Å; K210-W223 WeakPolarHBondContact CA-O 3.48Å; L211-W223 HydrophobicContact CB-CB 4.43Å; L211-W223 PolarHBondContact N-O 2.97Å; L211-W223 PolarHBondContact O-N 3.22Å; I213-W223 HydrophobicContact CD1-CB 3.84Å; I213-W223 HydrophobicContact CD1-CG 4.2Å; V221-W223 HydrophobicContact CG1-CB 4.45Å; W223-K228 WeakPolarHBondContact CH2-O 3.46Å; W223-K228 VanDerWaalsContact CZ2-CA 3.42Å; W223-K228 HydrophobicContact CZ2-CB 3.97Å; W223-K228 VanDerWaalsContact CZ2-O 3.25Å; W223-K228 WeakPolarHBondContact CZ2-O 3.36Å; W223-K229 VanDerWaalsContact CE3-C 3.48Å; W223-A230 HydrophobicContact CE3-CB 4.33Å
224	D	94.8	Very high	94.1	Very high	20 Å²	20	39.8 Å²	39.8	11%	0.107	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.8	171.1	179.8	-73	0	0	0	110.2	K210 K226 S227 K228 K229	K210-D224 HydrophobicContact CD-CB 4.14Å; K210-D224 WeakPolarHBondContact CE-OD2 3.49Å; K210-D224 IonicContact NZ-OD2 3.89Å; K210-D224 PolarHBondContact NZ-OD2 3.49Å; D224-K226 PolarHBondContact OD1-N 3.05Å; D224-S227 WeakPolarHBondContact CB-OG 3.48Å; D224-S227 WeakPolarHBondContact OD1-CB 3.42Å; D224-S227 PolarHBondContact OD1-N 3.33Å; D224-S227 PolarHBondContact OD1-OG 3.01Å; D224-K228 WeakPolarHBondContact O-CA 3.43Å; D224-K228 PolarHBondContact O-N 3.04Å; D224-K229 PolarHBondContact N-O 2.77Å; D224-K229 PolarHBondContact O-N 3.32Å
225	L	94.5	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.3	-175.6	-66.8	171.4	0	0	0	113	Y179 I181 G209 L1057 L1062 F1063	Y179-L225 PolarHBondContact OH-O 3.43Å; I181-L225 HydrophobicContact CD1-CD2 4.31Å; G209-L225 WeakPolarHBondContact O-CB 3.36Å; G209-L225 PolarHBondContact O-N 3.04Å; L225-L1057 HydrophobicContact CD1-CD2 3.96Å; L225-L1062 HydrophobicContact CB-CD1 4.19Å; L225-F1063 HydrophobicContact CD1-CZ 4.2Å; L225-F1063 HydrophobicContact CD2-CE1 4.42Å; L225-F1063 HydrophobicContact CD2-CZ 4.04Å
226	K	91.3	Very high	93.6	Very high	96 Å²	96	45.8 Å²	45.8	42%	0.417	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-51	-177.5	-66.4	-174.9	-178.9	-174.4	0	111.4	D224 L1057 L1062	D224-K226 PolarHBondContact OD1-N 3.05Å; K226-L1057 HydrophobicContact CD-CD1 4.04Å; K226-L1057 HydrophobicContact CG-CD1 3.67Å; K226-L1062 HydrophobicContact CG-CD1 4.22Å
227	S	91.9	Very high	93.3	Very high	58 Å²	58	48.5 Å²	48.5	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.9	-176.8	64.1	0	0	0	0	113.9	D224 K229	D224-S227 WeakPolarHBondContact CB-OG 3.48Å; D224-S227 WeakPolarHBondContact OD1-CB 3.42Å; D224-S227 PolarHBondContact OD1-N 3.33Å; D224-S227 PolarHBondContact OD1-OG 3.01Å; S227-K229 VanDerWaalsContact C-N 3.3Å; S227-K229 PolarHBondContact O-N 3.43Å; S227-K229 WeakPolarHBondContact OG-CE 3.46Å; S227-K229 WeakPolarHBondContact OG-CG 3.21Å
228	K	92.8	Very high	93.3	Very high	101 Å²	101	49.5 Å²	49.5	44%	0.439	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.6	176.8	-43.7	-164.4	-171.5	-165.5	0	112.5	Y179 W223 D224	Y179-K228 HydrophobicContact CD2-CD 4.3Å; Y179-K228 HydrophobicContact CE2-CD 3.58Å; Y179-K228 HydrophobicContact CE2-CG 3.81Å; Y179-K228 WeakPolarHBondContact OH-CG 3.32Å; W223-K228 WeakPolarHBondContact CH2-O 3.46Å; W223-K228 VanDerWaalsContact CZ2-CA 3.42Å; W223-K228 HydrophobicContact CZ2-CB 3.97Å; W223-K228 VanDerWaalsContact CZ2-O 3.25Å; W223-K228 WeakPolarHBondContact CZ2-O 3.36Å; D224-K228 WeakPolarHBondContact O-CA 3.43Å; D224-K228 PolarHBondContact O-N 3.04Å
229	K	92.4	Very high	93.4	Very high	116 Å²	116	50.9 Å²	50.9	50%	0.504	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.2	179.6	75.6	-170.4	179.4	173.1	0	111.3	W223 D224 S227	W223-K229 VanDerWaalsContact CE3-C 3.48Å; D224-K229 PolarHBondContact N-O 2.77Å; D224-K229 PolarHBondContact O-N 3.32Å; S227-K229 VanDerWaalsContact C-N 3.3Å; S227-K229 PolarHBondContact O-N 3.43Å; S227-K229 WeakPolarHBondContact OG-CE 3.46Å; S227-K229 WeakPolarHBondContact OG-CG 3.21Å
230	A	92.6	Very high	93.6	Very high	13 Å²	13	49.8 Å²	49.8	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.2	168.2	0	0	0	0	0	110.4	V221 L222 W223 R233	V221-A230 HydrophobicContact CG1-CB 3.48Å; V221-A230 VanDerWaalsContact CG1-CB 3.48Å; L222-A230 WeakPolarHBondContact O-CA 3.39Å; W223-A230 HydrophobicContact CE3-CB 4.33Å; A230-R233 HydrophobicContact CB-CG 4.31Å; A230-R233 VanDerWaalsContact CB-CZ 3.46Å
231	D	91.3	Very high	93.6	Very high	54 Å²	54	52.5 Å²	52.5	29%	0.289	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-42.6	171	-80.9	-4.9	0	0	0	111.1	K210 L222	K210-D231 IonicContact NZ-OD2 3.87Å; K210-D231 PolarHBondContact NZ-OD2 2.87Å; L222-D231 HydrophobicContact CD2-CB 4.21Å; L222-D231 PolarHBondContact O-N 3.37Å
232	Y	91.8	Very high	93.7	Very high	95 Å²	95	53 Å²	53	37%	0.373	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.5	-179.5	-64.5	-79.8	0	0	0	111	L222 Y234 I266	L222-Y232 HydrophobicContact CD2-CD2 3.85Å; L222-Y232 PolarHBondContact N-O 3.11Å; Y232-Y234 VanDerWaalsContact CB-OH 3.24Å; Y232-Y234 WeakPolarHBondContact CB-OH 3.49Å; Y232-I266 HydrophobicContact CD2-CG2 4.25Å; Y232-I266 HydrophobicContact CE2-CG2 4.43Å
233	R	91.8	Very high	93.8	Very high	92 Å²	92	53 Å²	53	35%	0.347	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.2	173.6	-62.1	179.8	179.8	85.2	-8.7	107.7	K185 A186 I187 V220 V221 A230	K185-R233 PolarHBondContact O-NH2 2.89Å; A186-R233 PolarHBondContact O-NE 3Å; A186-R233 PolarHBondContact O-NH2 3.2Å; I187-R233 PolarHBondContact O-NH2 3.33Å; V220-R233 CarbonylContact O-C 3.52Å; V220-R233 WeakPolarHBondContact O-CA 3.31Å; V221-R233 HydrophobicContact CG2-CG 4.37Å; A230-R233 HydrophobicContact CB-CG 4.31Å; A230-R233 VanDerWaalsContact CB-CZ 3.46Å
234	Y	93.4	Very high	93.9	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.4	177.6	-45.4	-84.4	0	0	0	107	I219 V220 L222 Y232 F252 W264 I266	I219-Y234 WeakPolarHBondContact CA-O 3.42Å; V220-Y234 HydrophobicContact CB-CD2 4.13Å; V220-Y234 HydrophobicContact CG1-CD2 4.21Å; V220-Y234 PolarHBondContact N-O 2.84Å; V220-Y234 WeakPolarHBondContact O-CD2 3.13Å; V220-Y234 PolarHBondContact O-N 3.43Å; L222-Y234 HydrophobicContact CB-CE2 4.3Å; Y232-Y234 VanDerWaalsContact CB-OH 3.24Å; Y232-Y234 WeakPolarHBondContact CB-OH 3.49Å; Y234-F252 HydrophobicContact CD1-CZ 4.24Å; Y234-F252 HydrophobicContact CD2-CE1 4.01Å; Y234-F252 AromaticContact CD2-CZ 3.5Å; Y234-F252 HydrophobicContact CD2-CZ 3.5Å; Y234-F252 HydrophobicContact CE1-CE1 4.39Å; Y234-F252 HydrophobicContact CE1-CZ 4.46Å; Y234-F252 AromaticContact CE2-CE1 3.75Å; Y234-F252 HydrophobicContact CE2-CE1 3.75Å; Y234-F252 AromaticContact CE2-CZ 3.75Å; Y234-F252 HydrophobicContact CE2-CZ 3.75Å; Y234-F252 HydrophobicContact CG-CE1 4.44Å; Y234-F252 AromaticContact CG-CZ 3.77Å; Y234-F252 HydrophobicContact CG-CZ 3.77Å; Y234-F252 AromaticContact CZ-CE1 3.97Å; Y234-W264 HydrophobicContact CD1-CD2 4.28Å; Y234-W264 AromaticContact CD1-CE3 3.56Å; Y234-W264 HydrophobicContact CD1-CE3 3.56Å; Y234-W264 HydrophobicContact CD1-CZ3 4.01Å; Y234-W264 HydrophobicContact CG-CD2 4.47Å; Y234-W264 HydrophobicContact CG-CE3 4.07Å; Y234-W264 HydrophobicContact CG-CZ3 4.4Å; Y234-I266 WeakPolarHBondContact OH-CA 3.36Å; Y234-I266 PolarHBondContact OH-O 3.26Å
235	T	91.8	Very high	94	Very high	82 Å²	82	53.6 Å²	53.6	50%	0.503	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.5	-177.5	-55.7	0	0	0	0	108.7	I219	I219-T235 HydrophobicContact CG1-CG2 4.44Å
236	Y	92.5	Very high	94	Very high	44 Å²	44	55 Å²	55	17%	0.173	27%	0.272	C	S	.	.			trans	-127.1	147.9	171.5	-163.9	-111.7	0	0	0	108.5	G218 E238 H256 T262 W264	G218-Y236 PolarHBondContact O-N 3.15Å; Y236-E238 HydrophobicContact CD1-CB 3.82Å; Y236-E238 HydrophobicContact CD1-CG 4.32Å; Y236-E238 HydrophobicContact CE1-CB 3.82Å; Y236-E238 HydrophobicContact CE1-CG 3.92Å; Y236-E238 PolarHBondContact O-N 3.02Å; Y236-H256 AromaticContact CD1-CD2 3.93Å; Y236-H256 AromaticContact CD1-CE1 3.33Å; Y236-H256 WeakPolarHBondContact CD1-CE1 3.46Å; Y236-H256 AromaticContact CD1-CG 3.86Å; Y236-H256 AromaticContact CD1-ND1 3.52Å; Y236-H256 AromaticContact CD1-NE2 3.6Å; Y236-H256 AromaticContact CE1-CD2 3.84Å; Y236-H256 AromaticContact CE1-CG 3.92Å; Y236-H256 AromaticContact CE1-NE2 3.91Å; Y236-H256 AromaticContact CG-CE1 3.88Å; Y236-T262 HydrophobicContact CD1-CG2 4.37Å; Y236-T262 HydrophobicContact CD2-CG2 4.02Å; Y236-T262 HydrophobicContact CE1-CG2 4.1Å; Y236-T262 HydrophobicContact CE2-CG2 3.73Å; Y236-T262 HydrophobicContact CG-CG2 4.33Å; Y236-W264 HydrophobicContact CD2-CZ2 4.37Å
237	D	91.3	Very high	94.1	Very high	150 Å²	150	51 Å²	51	80%	0.802	25%	0.254	S	S	*	.	S	Bend	trans	-74.4	-10.3	-170.9	-64.6	-28.6	0	0	0	113.3
238	E	94.8	Very high	94.1	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	25%	0.252	S	S	.	.	S	Bend	trans	-109.4	149.9	-177.7	-61.9	-66.6	155.5	0	0	111.6	G218 Y236 H256 D258	G218-E238 VanDerWaalsContact CA-O 3.31Å; G218-E238 WeakPolarHBondContact CA-O 3.42Å; Y236-E238 HydrophobicContact CD1-CB 3.82Å; Y236-E238 HydrophobicContact CD1-CG 4.32Å; Y236-E238 HydrophobicContact CE1-CB 3.82Å; Y236-E238 HydrophobicContact CE1-CG 3.92Å; Y236-E238 PolarHBondContact O-N 3.02Å; E238-H256 HydrophobicContact CB-CB 4.08Å; E238-D258 HydrophobicContact CG-CB 3.97Å
239	A	96	Very high	94.1	Very high	29 Å²	29	47.4 Å²	47.4	24%	0.24	24%	0.235	C	C	.	.			trans	-67.7	138.1	-179.3	0	0	0	0	0	112	E216 H256 S257	E216-A239 WeakPolarHBondContact O-CA 3.41Å; E216-A239 WeakPolarHBondContact O-CB 3.39Å; A239-H256 CarbonylContact O-C 3.53Å; A239-H256 VanDerWaalsContact O-CA 3.24Å; A239-H256 WeakPolarHBondContact O-CA 3.47Å; A239-S257 PolarHBondContact O-N 3.43Å
240	I	97	Very high	94.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.2	-177.4	-67.7	162.1	0	0	0	110.2	V199 E216 G218 V220 V243 C254 S255 H256	V199-I240 HydrophobicContact CG2-CB 4.5Å; V199-I240 HydrophobicContact CG2-CG2 4.2Å; E216-I240 PolarHBondContact O-N 3.44Å; G218-I240 VanDerWaalsContact C-CD1 3.47Å; V220-I240 HydrophobicContact CG2-CD1 3.41Å; V220-I240 VanDerWaalsContact CG2-CD1 3.41Å; I240-V243 HydrophobicContact CG2-CG2 4.07Å; I240-C254 HydrophobicContact CG1-CB 4.49Å; I240-C254 HydrophobicContact CG2-CB 4.48Å; I240-S255 WeakPolarHBondContact CA-O 3.1Å; I240-H256 WeakPolarHBondContact CG1-ND1 3.19Å
241	H	96.8	Very high	94.2	Very high	60 Å²	60	49.9 Å²	49.9	28%	0.278	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-33.8	174.2	-66.7	-78.2	0	0	0	113.7	S255 S257 L296	H241-S255 PolarHBondContact N-O 3.4Å; H241-S257 PolarHBondContact NE2-OG 3.44Å; H241-L296 WeakPolarHBondContact CB-O 3.5Å
242	S	97.3	Very high	94.5	Very high	11 Å²	11	47.3 Å²	47.3	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150.8	-176.2	-178.2	0	0	0	0	111.6	C254 S255 V298	S242-C254 WeakPolarHBondContact O-CA 3.21Å; S242-S255 WeakPolarHBondContact CB-OG 3.36Å; S242-S255 PolarHBondContact N-OG 3.42Å; S242-S255 PolarHBondContact O-N 2.95Å; S242-V298 PolarHBondContact OG-N 3.48Å; S242-V298 PolarHBondContact OG-O 2.91Å
243	V	98.1	Very high	94.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.4	174.4	-174	0	0	0	0	109.1	H200 I212 I240 F252 I253	H200-V243 HydrophobicContact CB-CB 4.28Å; H200-V243 HydrophobicContact CB-CG2 4.06Å; H200-V243 PolarHBondContact CE1-O 2.94Å; H200-V243 PolarHBondContact ND1-O 2.86Å; H200-V243 PolarHBondContact NE2-O 2.66Å; I212-V243 HydrophobicContact CG2-CG1 4.04Å; I240-V243 HydrophobicContact CG2-CG2 4.07Å; V243-F252 HydrophobicContact CG1-CB 4.23Å; V243-F252 HydrophobicContact CG1-CD2 3.78Å; V243-F252 HydrophobicContact CG1-CG 4.35Å; V243-I253 CarbonylContact C-O 3.6Å; V243-I253 VanDerWaalsContact CA-O 3.25Å; V243-I253 WeakPolarHBondContact CA-O 3.39Å; V243-I253 WeakPolarHBondContact CG1-O 3.34Å
244	A	97.6	Very high	95.1	Very high	13 Å²	13	38.4 Å²	38.4	11%	0.107	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	137.1	173.3	0	0	0	0	0	112.1	F252 I253	A244-F252 CarbonylContact O-C 3.53Å; A244-F252 VanDerWaalsContact O-CA 3.24Å; A244-F252 WeakPolarHBondContact O-CA 3.31Å; A244-F252 WeakPolarHBondContact O-CB 3.12Å; A244-I253 HydrophobicContact CB-CG2 3.83Å; A244-I253 PolarHBondContact N-O 2.99Å; A244-I253 PolarHBondContact O-N 3.49Å
245	W	97.1	Very high	95.3	Very high	23 Å²	23	38.2 Å²	38.2	9%	0.087	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143	179.7	-79.5	111.8	0	0	0	112.6	S202 D203 N204 P205 I212 L222 F252 I266	S202-W245 PolarHBondContact O-NE1 3.39Å; S202-W245 VanDerWaalsContact OG-CD1 3.27Å; S202-W245 PolarHBondContact OG-NE1 3.08Å; S202-W245 VanDerWaalsContact OG-NE1 3.08Å; D203-W245 PolarHBondContact O-NE1 2.83Å; D203-W245 VanDerWaalsContact O-NE1 3.12Å; N204-W245 HydrophobicContact CB-CH2 4.27Å; N204-W245 HydrophobicContact CB-CZ2 3.93Å; P205-W245 HydrophobicContact CG-CB 3.78Å; P205-W245 HydrophobicContact CG-CG 4.02Å; I212-W245 HydrophobicContact CB-CZ2 3.74Å; I212-W245 HydrophobicContact CD1-CD2 4.35Å; I212-W245 HydrophobicContact CD1-CE3 4.41Å; I212-W245 HydrophobicContact CD1-CH2 3.24Å; I212-W245 HydrophobicContact CD1-CZ2 3.19Å; I212-W245 HydrophobicContact CD1-CZ3 3.85Å; I212-W245 HydrophobicContact CG1-CH2 3.7Å; I212-W245 HydrophobicContact CG1-CZ2 3.31Å; L222-W245 HydrophobicContact CD1-CH2 4.05Å; L222-W245 HydrophobicContact CD1-CZ2 4.34Å; W245-F252 HydrophobicContact CD2-CB 4.38Å; W245-F252 HydrophobicContact CE3-CB 3.91Å; W245-F252 HydrophobicContact CZ3-CB 4.13Å; W245-F252 HydrophobicContact CZ3-CD1 4.09Å; W245-I266 HydrophobicContact CH2-CD1 3.54Å; W245-I266 HydrophobicContact CH2-CG1 4.05Å; W245-I266 HydrophobicContact CZ3-CD1 3.46Å; W245-I266 VanDerWaalsContact CZ3-CD1 3.46Å; W245-I266 HydrophobicContact CZ3-CG1 3.86Å
246	H	95.4	Very high	95.5	Very high	30 Å²	30	34.3 Å²	34.3	14%	0.139	17%	0.171	C	C	.	.			trans	-73.2	143	154.9	-169.1	-90.2	0	0	0	109.5	E248 G249 Q251 Y300	H246-E248 PolarHBondContact ND1-N 3.5Å; H246-E248 PolarHBondContact O-N 3.11Å; H246-E248 VanDerWaalsContact O-N 3.13Å; H246-G249 PolarHBondContact O-N 2.96Å; H246-Q251 HydrophobicContact CB-CB 4.1Å; H246-Q251 VanDerWaalsContact CB-O 3.31Å; H246-Q251 WeakPolarHBondContact CB-O 3.42Å; H246-Q251 PolarHBondContact N-O 2.81Å; H246-Y300 HydrophobicContact CB-CD1 4.09Å; H246-Y300 HydrophobicContact CB-CE1 3.8Å; H246-Y300 AromaticContact CD2-CE1 3.57Å; H246-Y300 AromaticContact CD2-CZ 3.64Å
247	H	92.8	Very high	95.7	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.056	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.7	-175.4	75.3	109.3	0	0	0	114.2	P205 G249 T302 S356 D358 F359	P205-H247 WeakPolarHBondContact CB-O 3.46Å; H247-G249 PolarHBondContact O-N 2.77Å; H247-T302 VanDerWaalsContact CD2-CG2 3.43Å; H247-T302 WeakPolarHBondContact CD2-CG2 3.45Å; H247-T302 PolarHBondContact CD2-OG1 3.46Å; H247-T302 VanDerWaalsContact CG-OG1 3.31Å; H247-S356 WeakPolarHBondContact CA-O 3.31Å; H247-S356 WeakPolarHBondContact CB-O 3.36Å; H247-D358 VanDerWaalsContact CB-O 3.22Å; H247-D358 WeakPolarHBondContact CB-O 2.94Å; H247-F359 AromaticContact CE1-CD1 3.78Å; H247-F359 AromaticContact CE1-CE1 3.54Å; H247-F359 AromaticContact CE1-CZ 3.72Å; H247-F359 AromaticContact NE2-CD1 3.92Å; H247-F359 AromaticContact NE2-CE1 3.6Å
248	E	92.1	Very high	95.8	Very high	77 Å²	77	28.2 Å²	28.2	36%	0.36	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.4	174.5	-66.9	-163.3	173.8	0	0	114.5	M206 H246 K250	M206-E248 WeakPolarHBondContact CG-O 3.22Å; H246-E248 PolarHBondContact ND1-N 3.5Å; H246-E248 PolarHBondContact O-N 3.11Å; H246-E248 VanDerWaalsContact O-N 3.13Å; E248-K250 HydrophobicContact CB-CG 4.43Å; E248-K250 PolarHBondContact O-N 2.75Å; E248-K250 IonicContact OE2-NZ 3.77Å; E248-K250 PolarHBondContact OE2-NZ 2.92Å
249	G	92.7	Very high	95.7	Very high	7 Å²	7	24.5 Å²	24.5	7%	0.072	13%	0.127	C	C	.	.	S	Bend	trans	60.3	31.3	179.3	0	0	0	0	0	113.5	N204 H246 H247 I266	N204-G249 PolarHBondContact ND2-O 3.45Å; N204-G249 VanDerWaalsContact OD1-CA 3.27Å; N204-G249 WeakPolarHBondContact OD1-CA 3.4Å; N204-G249 PolarHBondContact OD1-O 3.48Å; H246-G249 PolarHBondContact O-N 2.96Å; H247-G249 PolarHBondContact O-N 2.77Å; G249-I266 WeakPolarHBondContact O-CD1 3.01Å
250	K	93	Very high	95.7	Very high	117 Å²	117	23.4 Å²	23.4	51%	0.509	12%	0.117	S	C	.	.	S	Bend	trans	-115.1	-16.5	175	-64	178.1	-163.9	147.9	0	113	E248 N265 I266	E248-K250 HydrophobicContact CB-CG 4.43Å; E248-K250 PolarHBondContact O-N 2.75Å; E248-K250 IonicContact OE2-NZ 3.77Å; E248-K250 PolarHBondContact OE2-NZ 2.92Å; K250-N265 PolarHBondContact O-OD1 2.91Å; K250-I266 WeakPolarHBondContact O-CG1 3.29Å; K250-I266 PolarHBondContact O-N 3.34Å
251	Q	94.7	Very high	95.7	Very high	63 Å²	63	23.3 Å²	23.3	29%	0.294	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.2	-177.7	-62.6	-179	7.8	0	0	110.6	H246 W264 I273	H246-Q251 HydrophobicContact CB-CB 4.1Å; H246-Q251 VanDerWaalsContact CB-O 3.31Å; H246-Q251 WeakPolarHBondContact CB-O 3.42Å; H246-Q251 PolarHBondContact N-O 2.81Å; Q251-W264 WeakPolarHBondContact CA-O 3.18Å; Q251-W264 WeakPolarHBondContact CB-O 3.28Å; Q251-I273 HydrophobicContact CG-CD1 4.43Å
252	F	96.9	Very high	95.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.9	173.5	63.4	-87.1	0	0	0	110.2	I212 V220 Y234 V243 A244 W245 C254 I263 W264	I212-F252 HydrophobicContact CD1-CB 4.05Å; I212-F252 HydrophobicContact CD1-CD1 3.46Å; I212-F252 VanDerWaalsContact CD1-CD1 3.46Å; I212-F252 HydrophobicContact CD1-CD2 4.04Å; I212-F252 HydrophobicContact CD1-CE1 3.82Å; I212-F252 HydrophobicContact CD1-CE2 4.35Å; I212-F252 HydrophobicContact CD1-CG 3.57Å; I212-F252 HydrophobicContact CD1-CZ 4.25Å; V220-F252 HydrophobicContact CB-CE2 4.39Å; V220-F252 HydrophobicContact CG1-CE2 3.99Å; V220-F252 HydrophobicContact CG1-CZ 4.14Å; V220-F252 HydrophobicContact CG2-CE2 4.45Å; Y234-F252 HydrophobicContact CD1-CZ 4.24Å; Y234-F252 HydrophobicContact CD2-CE1 4.01Å; Y234-F252 AromaticContact CD2-CZ 3.5Å; Y234-F252 HydrophobicContact CD2-CZ 3.5Å; Y234-F252 HydrophobicContact CE1-CE1 4.39Å; Y234-F252 HydrophobicContact CE1-CZ 4.46Å; Y234-F252 AromaticContact CE2-CE1 3.75Å; Y234-F252 HydrophobicContact CE2-CE1 3.75Å; Y234-F252 AromaticContact CE2-CZ 3.75Å; Y234-F252 HydrophobicContact CE2-CZ 3.75Å; Y234-F252 HydrophobicContact CG-CE1 4.44Å; Y234-F252 AromaticContact CG-CZ 3.77Å; Y234-F252 HydrophobicContact CG-CZ 3.77Å; Y234-F252 AromaticContact CZ-CE1 3.97Å; V243-F252 HydrophobicContact CG1-CB 4.23Å; V243-F252 HydrophobicContact CG1-CD2 3.78Å; V243-F252 HydrophobicContact CG1-CG 4.35Å; A244-F252 CarbonylContact O-C 3.53Å; A244-F252 VanDerWaalsContact O-CA 3.24Å; A244-F252 WeakPolarHBondContact O-CA 3.31Å; A244-F252 WeakPolarHBondContact O-CB 3.12Å; W245-F252 HydrophobicContact CD2-CB 4.38Å; W245-F252 HydrophobicContact CE3-CB 3.91Å; W245-F252 HydrophobicContact CZ3-CB 4.13Å; W245-F252 HydrophobicContact CZ3-CD1 4.09Å; F252-C254 VanDerWaalsContact CE2-SG 3.51Å; F252-I263 WeakPolarHBondContact O-CA 3.48Å; F252-W264 HydrophobicContact CD1-CB 4.03Å; F252-W264 HydrophobicContact CD2-CB 4.19Å; F252-W264 HydrophobicContact CD2-CG 4.44Å; F252-W264 HydrophobicContact CE1-CB 3.5Å; F252-W264 HydrophobicContact CE1-CG 4.31Å; F252-W264 HydrophobicContact CE2-CB 3.69Å; F252-W264 AromaticContact CE2-CD1 3.56Å; F252-W264 AromaticContact CE2-CG 3.7Å; F252-W264 HydrophobicContact CE2-CG 3.7Å; F252-W264 HydrophobicContact CG-CB 4.35Å; F252-W264 HydrophobicContact CZ-CB 3.32Å; F252-W264 AromaticContact CZ-CD1 3.98Å; F252-W264 HydrophobicContact CZ-CD2 4.38Å; F252-W264 AromaticContact CZ-CG 3.63Å; F252-W264 HydrophobicContact CZ-CG 3.63Å; F252-W264 PolarHBondContact N-O 2.97Å; F252-W264 VanDerWaalsContact N-O 3.15Å; F252-W264 PolarHBondContact O-N 3.03Å
253	I	97.8	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.1	175.3	-165.9	167.6	0	0	0	109.7	V243 A244 L261 T262 I263 V298 Y300 I310	V243-I253 CarbonylContact C-O 3.6Å; V243-I253 VanDerWaalsContact CA-O 3.25Å; V243-I253 WeakPolarHBondContact CA-O 3.39Å; V243-I253 WeakPolarHBondContact CG1-O 3.34Å; A244-I253 HydrophobicContact CB-CG2 3.83Å; A244-I253 PolarHBondContact N-O 2.99Å; A244-I253 PolarHBondContact O-N 3.49Å; I253-L261 HydrophobicContact CD1-CB 4.02Å; I253-L261 HydrophobicContact CD1-CD1 4.12Å; I253-L261 HydrophobicContact CD1-CD2 4.47Å; I253-L261 HydrophobicContact CD1-CG 4.44Å; I253-L261 HydrophobicContact CG1-CB 4.25Å; I253-T262 CarbonylContact C-O 3.58Å; I253-T262 VanDerWaalsContact CA-O 3.3Å; I253-T262 WeakPolarHBondContact CA-O 3.46Å; I253-I263 HydrophobicContact CB-CG1 4.35Å; I253-I263 HydrophobicContact CD1-CD1 4.43Å; I253-I263 HydrophobicContact CD1-CG1 3.98Å; I253-I263 HydrophobicContact CG1-CG1 3.94Å; I253-V298 HydrophobicContact CD1-CG2 4.31Å; I253-V298 HydrophobicContact CG2-CG1 4.11Å; I253-V298 HydrophobicContact CG2-CG2 4.01Å; I253-Y300 HydrophobicContact CG2-CD1 4.29Å; I253-Y300 HydrophobicContact CG2-CG 4.31Å; I253-I310 HydrophobicContact CD1-CD1 4.07Å; I253-I310 HydrophobicContact CD1-CG1 4.44Å; I253-I310 HydrophobicContact CD1-CG2 3.92Å
254	C	98	Very high	95.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.7	171.7	-55.6	0	0	0	0	110.2	I240 S242 F252 L261 T262	I240-C254 HydrophobicContact CG1-CB 4.49Å; I240-C254 HydrophobicContact CG2-CB 4.48Å; S242-C254 WeakPolarHBondContact O-CA 3.21Å; F252-C254 VanDerWaalsContact CE2-SG 3.51Å; C254-L261 CarbonylContact O-C 3.59Å; C254-L261 VanDerWaalsContact O-CA 3.29Å; C254-L261 WeakPolarHBondContact O-CA 3.39Å; C254-T262 PolarHBondContact N-O 3.16Å; C254-T262 PolarHBondContact O-N 3.28Å
255	S	97.8	Very high	95.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.9	170.8	71	0	0	0	0	112.1	I240 H241 S242 I295	I240-S255 WeakPolarHBondContact CA-O 3.1Å; H241-S255 PolarHBondContact N-O 3.4Å; S242-S255 WeakPolarHBondContact CB-OG 3.36Å; S242-S255 PolarHBondContact N-OG 3.42Å; S242-S255 PolarHBondContact O-N 2.95Å; S255-I295 VanDerWaalsContact CB-CG2 3.5Å; S255-I295 VanDerWaalsContact CB-O 3.28Å; S255-I295 WeakPolarHBondContact CB-O 3.25Å; S255-I295 PolarHBondContact OG-O 3.05Å
256	H	97	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	163.9	-166.7	-58.9	-73.9	0	0	0	114.5	Y236 E238 A239 I240 D258 G259 T260 T262 I295	Y236-H256 AromaticContact CD1-CD2 3.93Å; Y236-H256 AromaticContact CD1-CE1 3.33Å; Y236-H256 WeakPolarHBondContact CD1-CE1 3.46Å; Y236-H256 AromaticContact CD1-CG 3.86Å; Y236-H256 AromaticContact CD1-ND1 3.52Å; Y236-H256 AromaticContact CD1-NE2 3.6Å; Y236-H256 AromaticContact CE1-CD2 3.84Å; Y236-H256 AromaticContact CE1-CG 3.92Å; Y236-H256 AromaticContact CE1-NE2 3.91Å; Y236-H256 AromaticContact CG-CE1 3.88Å; E238-H256 HydrophobicContact CB-CB 4.08Å; A239-H256 CarbonylContact O-C 3.53Å; A239-H256 VanDerWaalsContact O-CA 3.24Å; A239-H256 WeakPolarHBondContact O-CA 3.47Å; I240-H256 WeakPolarHBondContact CG1-ND1 3.19Å; H256-D258 VanDerWaalsContact C-N 3.31Å; H256-D258 VanDerWaalsContact CB-OD1 3.27Å; H256-D258 WeakPolarHBondContact CB-OD1 3.3Å; H256-D258 PolarHBondContact O-N 2.95Å; H256-G259 PolarHBondContact O-N 2.72Å; H256-T260 PolarHBondContact CD2-O 3.47Å; H256-T260 PolarHBondContact CD2-OG1 2.94Å; H256-T260 PolarHBondContact N-O 3.47Å; H256-T260 VanDerWaalsContact N-O 3.1Å; H256-T262 VanDerWaalsContact NE2-CG2 3.29Å; H256-T262 WeakPolarHBondContact NE2-CG2 3.42Å; H256-T262 PolarHBondContact NE2-OG1 2.97Å; H256-I295 PolarHBondContact O-N 3.12Å; H256-I295 VanDerWaalsContact O-N 3.09Å
257	S	95.7	Very high	94.3	Very high	35 Å²	35	31.2 Å²	31.2	25%	0.245	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.4	177.1	-74.1	0	0	0	0	114.9	A239 H241 G259 P294	A239-S257 PolarHBondContact O-N 3.43Å; H241-S257 PolarHBondContact NE2-OG 3.44Å; S257-G259 PolarHBondContact O-N 3.37Å; S257-P294 WeakPolarHBondContact O-CA 3.39Å; S257-P294 WeakPolarHBondContact O-CG 3.34Å
258	D	92.9	Very high	93.1	Very high	30 Å²	30	32.1 Å²	32.1	16%	0.16	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.2	177.2	71.2	-15.8	0	0	0	113.4	E238 H256 T260 C292	E238-D258 HydrophobicContact CG-CB 3.97Å; H256-D258 VanDerWaalsContact C-N 3.31Å; H256-D258 VanDerWaalsContact CB-OD1 3.27Å; H256-D258 WeakPolarHBondContact CB-OD1 3.3Å; H256-D258 PolarHBondContact O-N 2.95Å; D258-T260 VanDerWaalsContact C-N 3.35Å; D258-T260 VanDerWaalsContact CG-OG1 3.32Å; D258-T260 VanDerWaalsContact OD1-CB 3.3Å; D258-T260 WeakPolarHBondContact OD1-CB 3.39Å; D258-T260 WeakPolarHBondContact OD1-CG2 3.46Å; D258-T260 PolarHBondContact OD1-N 3.37Å; D258-T260 PolarHBondContact OD1-OG1 2.85Å; D258-T260 WeakPolarHBondContact OD2-CG2 3.24Å; D258-T260 PolarHBondContact OD2-OG1 3.05Å; D258-C292 CarbonylContact C-O 3.51Å; D258-C292 PolarHBondContact O-N 2.95Å
259	G	93.2	Very high	91.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	77	18.6	-178	0	0	0	0	0	114.1	H256 S257 K293 I295	H256-G259 PolarHBondContact O-N 2.72Å; S257-G259 PolarHBondContact O-N 3.37Å; G259-K293 WeakPolarHBondContact CA-O 3.46Å; G259-I295 VanDerWaalsContact O-CD1 3.28Å; G259-I295 WeakPolarHBondContact O-CD1 3.43Å
260	T	95.1	Very high	90.9	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.043	21%	0.205	C	C	.	.			trans	-94.1	157	174	66.3	0	0	0	0	113	H256 D258 T275 I276 T277	H256-T260 PolarHBondContact CD2-O 3.47Å; H256-T260 PolarHBondContact CD2-OG1 2.94Å; H256-T260 PolarHBondContact N-O 3.47Å; H256-T260 VanDerWaalsContact N-O 3.1Å; D258-T260 VanDerWaalsContact C-N 3.35Å; D258-T260 VanDerWaalsContact CG-OG1 3.32Å; D258-T260 VanDerWaalsContact OD1-CB 3.3Å; D258-T260 WeakPolarHBondContact OD1-CB 3.39Å; D258-T260 WeakPolarHBondContact OD1-CG2 3.46Å; D258-T260 PolarHBondContact OD1-N 3.37Å; D258-T260 PolarHBondContact OD1-OG1 2.85Å; D258-T260 WeakPolarHBondContact OD2-CG2 3.24Å; D258-T260 PolarHBondContact OD2-OG1 3.05Å; T260-T275 HydrophobicContact CG2-CG2 4.29Å; T260-I276 CarbonylContact C-O 3.51Å; T260-I276 WeakPolarHBondContact CA-O 3.3Å; T260-T277 HydrophobicContact CG2-CG2 4.29Å
261	L	97.1	Very high	90.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	166.4	-62.5	174.4	0	0	0	109.1	I253 C254 T275 I276 P278 I295 V298 I310 F312	I253-L261 HydrophobicContact CD1-CB 4.02Å; I253-L261 HydrophobicContact CD1-CD1 4.12Å; I253-L261 HydrophobicContact CD1-CD2 4.47Å; I253-L261 HydrophobicContact CD1-CG 4.44Å; I253-L261 HydrophobicContact CG1-CB 4.25Å; C254-L261 CarbonylContact O-C 3.59Å; C254-L261 VanDerWaalsContact O-CA 3.29Å; C254-L261 WeakPolarHBondContact O-CA 3.39Å; L261-T275 CarbonylContact O-C 3.48Å; L261-T275 WeakPolarHBondContact O-CA 3.29Å; L261-I276 HydrophobicContact CB-CB 4.33Å; L261-I276 PolarHBondContact N-O 3.03Å; L261-I276 PolarHBondContact O-N 3.18Å; L261-P278 HydrophobicContact CD1-CG 4.05Å; L261-P278 HydrophobicContact CG-CG 4.45Å; L261-I295 HydrophobicContact CD1-CD1 4.43Å; L261-I295 HydrophobicContact CD2-CD1 3.79Å; L261-I295 HydrophobicContact CD2-CG2 4.08Å; L261-I295 HydrophobicContact CG-CD1 3.75Å; L261-V298 HydrophobicContact CD2-CB 4.2Å; L261-V298 HydrophobicContact CD2-CG2 4.04Å; L261-I310 HydrophobicContact CD1-CG2 3.92Å; L261-F312 HydrophobicContact CD1-CD1 4Å; L261-F312 HydrophobicContact CD1-CE1 4.07Å
262	T	96.6	Very high	90.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	176.2	59.1	0	0	0	0	111.3	Y236 I253 C254 H256 W264 P272 Q274 T275	Y236-T262 HydrophobicContact CD1-CG2 4.37Å; Y236-T262 HydrophobicContact CD2-CG2 4.02Å; Y236-T262 HydrophobicContact CE1-CG2 4.1Å; Y236-T262 HydrophobicContact CE2-CG2 3.73Å; Y236-T262 HydrophobicContact CG-CG2 4.33Å; I253-T262 CarbonylContact C-O 3.58Å; I253-T262 VanDerWaalsContact CA-O 3.3Å; I253-T262 WeakPolarHBondContact CA-O 3.46Å; C254-T262 PolarHBondContact N-O 3.16Å; C254-T262 PolarHBondContact O-N 3.28Å; H256-T262 VanDerWaalsContact NE2-CG2 3.29Å; H256-T262 WeakPolarHBondContact NE2-CG2 3.42Å; H256-T262 PolarHBondContact NE2-OG1 2.97Å; T262-W264 PolarHBondContact OG1-NE1 3.21Å; T262-P272 HydrophobicContact CG2-CB 4.28Å; T262-P272 HydrophobicContact CG2-CG 4.33Å; T262-Q274 CarbonylContact C-O 3.55Å; T262-Q274 WeakPolarHBondContact CA-O 3.39Å; T262-T275 HydrophobicContact CG2-CG2 4.27Å
263	I	96.3	Very high	90.4	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.7	176.4	-57.6	176	0	0	0	109.4	F252 I253 P272 I273 Q274 I276	F252-I263 WeakPolarHBondContact O-CA 3.48Å; I253-I263 HydrophobicContact CB-CG1 4.35Å; I253-I263 HydrophobicContact CD1-CD1 4.43Å; I253-I263 HydrophobicContact CD1-CG1 3.98Å; I253-I263 HydrophobicContact CG1-CG1 3.94Å; I263-P272 CarbonylContact O-C 3.53Å; I263-P272 WeakPolarHBondContact O-CA 3.27Å; I263-I273 HydrophobicContact CG2-CD1 4.41Å; I263-I273 PolarHBondContact O-N 2.77Å; I263-Q274 HydrophobicContact CB-CB 4.34Å; I263-Q274 PolarHBondContact N-O 2.9Å; I263-Q274 PolarHBondContact O-N 2.8Å; I263-I276 HydrophobicContact CD1-CD1 4.06Å
264	W	96.3	Very high	90.1	Very high	6 Å²	6	50.4 Å²	50.4	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.5	-174	-63.8	85.4	0	0	0	111.4	Y234 Y236 Q251 F252 T262 K271 P272	Y234-W264 HydrophobicContact CD1-CD2 4.28Å; Y234-W264 AromaticContact CD1-CE3 3.56Å; Y234-W264 HydrophobicContact CD1-CE3 3.56Å; Y234-W264 HydrophobicContact CD1-CZ3 4.01Å; Y234-W264 HydrophobicContact CG-CD2 4.47Å; Y234-W264 HydrophobicContact CG-CE3 4.07Å; Y234-W264 HydrophobicContact CG-CZ3 4.4Å; Y236-W264 HydrophobicContact CD2-CZ2 4.37Å; Q251-W264 WeakPolarHBondContact CA-O 3.18Å; Q251-W264 WeakPolarHBondContact CB-O 3.28Å; F252-W264 HydrophobicContact CD1-CB 4.03Å; F252-W264 HydrophobicContact CD2-CB 4.19Å; F252-W264 HydrophobicContact CD2-CG 4.44Å; F252-W264 HydrophobicContact CE1-CB 3.5Å; F252-W264 HydrophobicContact CE1-CG 4.31Å; F252-W264 HydrophobicContact CE2-CB 3.69Å; F252-W264 AromaticContact CE2-CD1 3.56Å; F252-W264 AromaticContact CE2-CG 3.7Å; F252-W264 HydrophobicContact CE2-CG 3.7Å; F252-W264 HydrophobicContact CG-CB 4.35Å; F252-W264 HydrophobicContact CZ-CB 3.32Å; F252-W264 AromaticContact CZ-CD1 3.98Å; F252-W264 HydrophobicContact CZ-CD2 4.38Å; F252-W264 AromaticContact CZ-CG 3.63Å; F252-W264 HydrophobicContact CZ-CG 3.63Å; F252-W264 PolarHBondContact N-O 2.97Å; F252-W264 VanDerWaalsContact N-O 3.15Å; F252-W264 PolarHBondContact O-N 3.03Å; T262-W264 PolarHBondContact OG1-NE1 3.21Å; W264-K271 VanDerWaalsContact CZ3-CA 3.45Å; W264-K271 WeakPolarHBondContact CZ3-O 3.34Å; W264-P272 HydrophobicContact CD2-CB 4.04Å; W264-P272 HydrophobicContact CE3-CB 4.42Å; W264-P272 HydrophobicContact CH2-CB 4.31Å; W264-P272 VanDerWaalsContact CH2-CD 3.45Å; W264-P272 HydrophobicContact CH2-CG 4.34Å; W264-P272 HydrophobicContact CZ2-CB 3.88Å; W264-P272 HydrophobicContact CZ2-CG 4.09Å; W264-P272 VanDerWaalsContact CZ3-N 3.34Å
265	N	93.1	Very high	89.9	Confident	61 Å²	61	53.6 Å²	53.6	33%	0.326	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.8	167.3	-169.3	-24.4	0	0	0	108.2	K250 R267 G268 I273	K250-N265 PolarHBondContact O-OD1 2.91Å; N265-R267 VanDerWaalsContact C-N 3.27Å; N265-R267 PolarHBondContact O-N 2.75Å; N265-R267 PolarHBondContact OD1-N 2.89Å; N265-R267 VanDerWaalsContact OD1-N 3.15Å; N265-G268 PolarHBondContact O-N 3.49Å; N265-I273 HydrophobicContact CB-CD1 3.66Å; N265-I273 HydrophobicContact CB-CG1 4.08Å
266	I	90.3	Very high	89.7	Confident	14 Å²	14	54.8 Å²	54.8	7%	0.072	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41.4	177.7	-64.2	179.8	0	0	0	111.8	N204 L222 Y232 Y234 W245 G249 K250	N204-I266 VanDerWaalsContact ND2-CD1 3.33Å; N204-I266 WeakPolarHBondContact ND2-CD1 3.42Å; L222-I266 HydrophobicContact CD2-CG2 3.49Å; L222-I266 VanDerWaalsContact CD2-CG2 3.49Å; Y232-I266 HydrophobicContact CD2-CG2 4.25Å; Y232-I266 HydrophobicContact CE2-CG2 4.43Å; Y234-I266 WeakPolarHBondContact OH-CA 3.36Å; Y234-I266 PolarHBondContact OH-O 3.26Å; W245-I266 HydrophobicContact CH2-CD1 3.54Å; W245-I266 HydrophobicContact CH2-CG1 4.05Å; W245-I266 HydrophobicContact CZ3-CD1 3.46Å; W245-I266 VanDerWaalsContact CZ3-CD1 3.46Å; W245-I266 HydrophobicContact CZ3-CG1 3.86Å; G249-I266 WeakPolarHBondContact O-CD1 3.01Å; K250-I266 WeakPolarHBondContact O-CG1 3.29Å; K250-I266 PolarHBondContact O-N 3.34Å
267	R	82.1	Confident	89.5	Confident	215 Å²	215	56.2 Å²	56.2	81%	0.811	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	16.9	-174.2	-61.6	-173.9	-177.6	-175.7	0.3	113.7	N265	N265-R267 VanDerWaalsContact C-N 3.27Å; N265-R267 PolarHBondContact O-N 2.75Å; N265-R267 PolarHBondContact OD1-N 2.89Å; N265-R267 VanDerWaalsContact OD1-N 3.15Å
268	G	66.8	Low	89.2	Confident	30 Å²	30	55.5 Å²	55.5	31%	0.309	29%	0.288	S	S	.	.	S	Bend	trans	-98.5	155.1	-172.1	0	0	0	0	0	115.5	N265 G270	N265-G268 PolarHBondContact O-N 3.49Å; G268-G270 PolarHBondContact O-N 2.75Å
269	Q	64.3	Low	89	Confident	189 Å²	189	56 Å²	56	88%	0.883	29%	0.289	S	S	*	.			trans	-68.1	105.3	177.9	-66.5	-178.5	-21	0	0	111.8	K271	Q269-K271 PolarHBondContact O-N 3.04Å
270	G	74.3	Confident	88.5	Confident	54 Å²	54	56.6 Å²	56.6	56%	0.557	30%	0.295	S	S	*	.	S	Bend	trans	43.5	1.5	151.5	0	0	0	0	0	122	G268	G268-G270 PolarHBondContact O-N 2.75Å
271	K	85.8	Confident	87.6	Confident	168 Å²	168	61.5 Å²	61.5	73%	0.73	32%	0.316	S	S	*	.	S	Bend	trans	-142.4	151.4	-174.2	-70.2	-172.8	178.8	-177.2	0	109.8	W264 Q269	W264-K271 VanDerWaalsContact CZ3-CA 3.45Å; W264-K271 WeakPolarHBondContact CZ3-O 3.34Å; Q269-K271 PolarHBondContact O-N 3.04Å
272	P	93.1	Very high	86.4	Confident	34 Å²	34	69.9 Å²	69.9	22%	0.221	36%	0.355	C	S	.	.			trans	-67.3	146.4	178.1	27.9	-32.8	0	0	0	110.8	T262 I263 W264 Q274	T262-P272 HydrophobicContact CG2-CB 4.28Å; T262-P272 HydrophobicContact CG2-CG 4.33Å; I263-P272 CarbonylContact O-C 3.53Å; I263-P272 WeakPolarHBondContact O-CA 3.27Å; W264-P272 HydrophobicContact CD2-CB 4.04Å; W264-P272 HydrophobicContact CE3-CB 4.42Å; W264-P272 HydrophobicContact CH2-CB 4.31Å; W264-P272 VanDerWaalsContact CH2-CD 3.45Å; W264-P272 HydrophobicContact CH2-CG 4.34Å; W264-P272 HydrophobicContact CZ2-CB 3.88Å; W264-P272 HydrophobicContact CZ2-CG 4.09Å; W264-P272 VanDerWaalsContact CZ3-N 3.34Å; P272-Q274 VanDerWaalsContact C-N 3.26Å
273	I	94.1	Very high	84.9	Confident	99 Å²	99	72.3 Å²	72.3	51%	0.508	37%	0.371	S	S	.	.	S	Bend	trans	-64.4	-40.2	171.4	-48.7	173.6	0	0	0	109.4	Q251 I263 N265	Q251-I273 HydrophobicContact CG-CD1 4.43Å; I263-I273 HydrophobicContact CG2-CD1 4.41Å; I263-I273 PolarHBondContact O-N 2.77Å; N265-I273 HydrophobicContact CB-CD1 3.66Å; N265-I273 HydrophobicContact CB-CG1 4.08Å
274	Q	93	Very high	83.3	Confident	104 Å²	104	81.9 Å²	81.9	49%	0.486	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.6	-176.2	-167.1	177.6	7.5	0	0	109.8	T262 I263 P272 I276	T262-Q274 CarbonylContact C-O 3.55Å; T262-Q274 WeakPolarHBondContact CA-O 3.39Å; I263-Q274 HydrophobicContact CB-CB 4.34Å; I263-Q274 PolarHBondContact N-O 2.9Å; I263-Q274 PolarHBondContact O-N 2.8Å; P272-Q274 VanDerWaalsContact C-N 3.26Å; Q274-I276 HydrophobicContact CG-CD1 4.37Å; Q274-I276 HydrophobicContact CG-CG1 3.83Å
275	T	93.8	Very high	82.2	Confident	68 Å²	68	88 Å²	88	42%	0.417	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	166.3	-58.5	0	0	0	0	107.6	T260 L261 T262	T260-T275 HydrophobicContact CG2-CG2 4.29Å; L261-T275 CarbonylContact O-C 3.48Å; L261-T275 WeakPolarHBondContact O-CA 3.29Å; T262-T275 HydrophobicContact CG2-CG2 4.27Å
276	I	93.2	Very high	81	Confident	26 Å²	26	88.8 Å²	88.8	13%	0.133	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.3	-177.7	-51.6	175.2	0	0	0	107.3	T260 L261 I263 Q274 P278 M330	T260-I276 CarbonylContact C-O 3.51Å; T260-I276 WeakPolarHBondContact CA-O 3.3Å; L261-I276 HydrophobicContact CB-CB 4.33Å; L261-I276 PolarHBondContact N-O 3.03Å; L261-I276 PolarHBondContact O-N 3.18Å; I263-I276 HydrophobicContact CD1-CD1 4.06Å; Q274-I276 HydrophobicContact CG-CD1 4.37Å; Q274-I276 HydrophobicContact CG-CG1 3.83Å; I276-P278 HydrophobicContact CG2-CG 3.98Å; I276-P278 WeakPolarHBondContact O-CD 3.46Å; I276-M330 HydrophobicContact CG2-CE 4.25Å
277	T	91.6	Very high	80.1	Confident	30 Å²	30	95.3 Å²	95.3	18%	0.184	50%	0.496	C	S	.	.			trans	-113.6	85.9	168.9	-43.4	0	0	0	0	107.5	T260 H279 G280 P289	T260-T277 HydrophobicContact CG2-CG2 4.29Å; T277-H279 VanDerWaalsContact C-N 3.27Å; T277-H279 PolarHBondContact O-N 2.86Å; T277-G280 PolarHBondContact O-N 3.19Å; T277-P289 HydrophobicContact CG2-CB 4.06Å
278	P	89.6	Confident	79.5	Confident	20 Å²	20	94.2 Å²	94.2	13%	0.13	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.8	-164.5	-25.7	34.6	0	0	0	114.1	L261 I276 I295 F312 M330	L261-P278 HydrophobicContact CD1-CG 4.05Å; L261-P278 HydrophobicContact CG-CG 4.45Å; I276-P278 HydrophobicContact CG2-CG 3.98Å; I276-P278 WeakPolarHBondContact O-CD 3.46Å; P278-I295 HydrophobicContact CG-CD1 4.49Å; P278-F312 HydrophobicContact CB-CE1 4.28Å; P278-F312 HydrophobicContact CB-CZ 3.65Å; P278-F312 HydrophobicContact CG-CE1 4.05Å; P278-F312 HydrophobicContact CG-CE2 4.43Å; P278-F312 HydrophobicContact CG-CZ 3.62Å; P278-M330 HydrophobicContact CB-SD 4.19Å; P278-M330 HydrophobicContact CG-SD 4.1Å
279	H	88.4	Confident	79.9	Confident	40 Å²	40	95 Å²	95	19%	0.185	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	1.6	-177	-57.3	-59.8	0	0	0	113.5	T277 F312 G315 T328	T277-H279 VanDerWaalsContact C-N 3.27Å; T277-H279 PolarHBondContact O-N 2.86Å; H279-F312 AromaticContact NE2-CE2 3.73Å; H279-F312 AromaticContact NE2-CZ 3.68Å; H279-G315 WeakPolarHBondContact CB-O 3.47Å; H279-G315 PolarHBondContact CD2-O 3.13Å; H279-T328 PolarHBondContact CE1-OG1 3.09Å; H279-T328 PolarHBondContact NE2-OG1 3.2Å
280	G	83.7	Confident	80.7	Confident	12 Å²	12	90.1 Å²	90.1	12%	0.124	47%	0.474	C	S	.	.	S	Bend	trans	-77.2	132.8	180	0	0	0	0	0	110.6	T277 Q282	T277-G280 PolarHBondContact O-N 3.19Å; G280-Q282 PolarHBondContact O-N 3.33Å
281	K	77.1	Confident	80.9	Confident	110 Å²	110	91.7 Å²	91.7	48%	0.478	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-63.3	120.8	172.6	-60.2	-174	-156.4	112.7	0	108.3	P283 E290 D319	K281-P283 VanDerWaalsContact O-CD 3.26Å; K281-P283 WeakPolarHBondContact O-CD 3.41Å; K281-E290 IonicContact NZ-OE1 2.76Å; K281-E290 IonicContact NZ-OE2 2.65Å; K281-E290 PolarHBondContact NZ-OE2 3.16Å; K281-D319 IonicContact NZ-OD2 3.51Å; K281-D319 PolarHBondContact NZ-OD2 2.86Å
282	Q	70.1	Confident	81.1	Confident	177 Å²	177	83.8 Å²	83.8	83%	0.827	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-72.4	118.3	172.2	-70	-159.7	8.2	0	0	109.3	G280	G280-Q282 PolarHBondContact O-N 3.33Å
283	P	65.7	Low	81	Confident	51 Å²	51	86.2 Å²	86.2	33%	0.331	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-75.6	143	179	29.2	-31.7	0	0	0	110.7	K281 D285 K287	K281-P283 VanDerWaalsContact O-CD 3.26Å; K281-P283 WeakPolarHBondContact O-CD 3.41Å; P283-D285 PolarHBondContact O-N 2.78Å; P283-K287 HydrophobicContact CB-CB 4.21Å; P283-K287 HydrophobicContact CG-CB 3.87Å; P283-K287 WeakPolarHBondContact CG-O 3.4Å
284	K	63.6	Low	81	Confident	212 Å²	212	83.5 Å²	83.5	92%	0.922	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.9	179.8	-65.9	-176.8	178.2	-179.8	0	113.8
285	D	73.1	Confident	81.2	Confident	135 Å²	135	78.6 Å²	78.6	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	16.8	-171.4	-58	-29.4	0	0	0	114.4	P283 K287	P283-D285 PolarHBondContact O-N 2.78Å; D285-K287 VanDerWaalsContact C-N 3.27Å; D285-K287 PolarHBondContact O-N 3.38Å
286	G	66.7	Low	81.2	Confident	77 Å²	77	80.1 Å²	80.1	79%	0.794	42%	0.418	S	S	*	.	S	Bend	trans	71.8	12.3	178.5	0	0	0	0	0	115.8
287	K	71.6	Confident	81.4	Confident	151 Å²	151	81.1 Å²	81.1	66%	0.657	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-68.7	161.4	171	-69	179.7	179.5	173.4	0	111.1	P283 D285	P283-K287 HydrophobicContact CB-CB 4.21Å; P283-K287 HydrophobicContact CG-CB 3.87Å; P283-K287 WeakPolarHBondContact CG-O 3.4Å; D285-K287 VanDerWaalsContact C-N 3.27Å; D285-K287 PolarHBondContact O-N 3.38Å
288	K	69.6	Low	81.7	Confident	191 Å²	191	79.8 Å²	79.8	83%	0.83	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-61.5	139.9	171.1	-76.5	-171.2	176.2	-173.5	0	109.6
289	P	76.1	Confident	82.1	Confident	47 Å²	47	79.8 Å²	79.8	31%	0.305	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-52.7	150	171	-24.3	33.8	0	0	0	111.6	T277	T277-P289 HydrophobicContact CG2-CB 4.06Å
290	E	80	Confident	82.6	Confident	87 Å²	87	78.9 Å²	78.9	41%	0.407	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-58.4	133.6	174.6	-70.9	173.4	171	0	0	110	K281	K281-E290 IonicContact NZ-OE1 2.76Å; K281-E290 IonicContact NZ-OE2 2.65Å; K281-E290 PolarHBondContact NZ-OE2 3.16Å
291	P	79	Confident	83.2	Confident	87 Å²	87	80.6 Å²	80.6	57%	0.565	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-62.2	142.3	177.8	26.9	-33.4	0	0	0	109.7	Y318	P291-Y318 WeakPolarHBondContact O-CD2 3.22Å
292	C	89.8	Confident	84	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.007	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-108.7	172.8	177.6	-68.3	0	0	0	0	110.1	D258 G315 Y318	D258-C292 CarbonylContact C-O 3.51Å; D258-C292 PolarHBondContact O-N 2.95Å; C292-G315 WeakPolarHBondContact CB-O 3.2Å; C292-Y318 VanDerWaalsContact C-CE2 3.46Å; C292-Y318 WeakPolarHBondContact O-CE2 3.35Å
293	K	91.5	Very high	85.1	Confident	86 Å²	86	68 Å²	68	37%	0.374	36%	0.355	S	S	.	.	S	Bend	trans	-60.8	154.7	169.6	-67.8	177.1	-179.6	178.1	0	109.9	G259 G315 L316 Y318	G259-K293 WeakPolarHBondContact CA-O 3.46Å; K293-G315 WeakPolarHBondContact O-CA 3.45Å; K293-G315 PolarHBondContact O-N 2.95Å; K293-L316 VanDerWaalsContact CB-O 3.31Å; K293-L316 WeakPolarHBondContact CB-O 3.42Å; K293-L316 WeakPolarHBondContact CG-O 3.36Å; K293-L316 PolarHBondContact N-O 3.25Å; K293-Y318 HydrophobicContact CG-CD1 4.15Å; K293-Y318 HydrophobicContact CG-CE1 3.92Å
294	P	93.9	Very high	86.3	Confident	42 Å²	42	72.1 Å²	72.1	27%	0.273	36%	0.364	S	S	.	.			trans	-52	145.4	179.1	-28	33.9	0	0	0	113.8	S257 L296 G314 G315	S257-P294 WeakPolarHBondContact O-CA 3.39Å; S257-P294 WeakPolarHBondContact O-CG 3.34Å; P294-L296 HydrophobicContact CB-CD2 3.93Å; P294-G314 WeakPolarHBondContact O-CA 3.37Å; P294-G315 PolarHBondContact O-N 3.44Å
295	I	96.5	Very high	87.2	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.9	163.2	-64.7	170.9	0	0	0	107.7	S255 H256 G259 L261 P278 F312 G315	S255-I295 VanDerWaalsContact CB-CG2 3.5Å; S255-I295 VanDerWaalsContact CB-O 3.28Å; S255-I295 WeakPolarHBondContact CB-O 3.25Å; S255-I295 PolarHBondContact OG-O 3.05Å; H256-I295 PolarHBondContact O-N 3.12Å; H256-I295 VanDerWaalsContact O-N 3.09Å; G259-I295 VanDerWaalsContact O-CD1 3.28Å; G259-I295 WeakPolarHBondContact O-CD1 3.43Å; L261-I295 HydrophobicContact CD1-CD1 4.43Å; L261-I295 HydrophobicContact CD2-CD1 3.79Å; L261-I295 HydrophobicContact CD2-CG2 4.08Å; L261-I295 HydrophobicContact CG-CD1 3.75Å; P278-I295 HydrophobicContact CG-CD1 4.49Å; I295-F312 HydrophobicContact CB-CD2 4.48Å; I295-F312 HydrophobicContact CD1-CD2 3.87Å; I295-F312 HydrophobicContact CD1-CE2 3.83Å; I295-F312 HydrophobicContact CD1-CZ 4.46Å; I295-F312 HydrophobicContact CG1-CD2 3.91Å; I295-F312 HydrophobicContact CG1-CE2 4.11Å; I295-F312 HydrophobicContact CG2-CB 3.72Å; I295-F312 HydrophobicContact CG2-CD2 3.71Å; I295-F312 HydrophobicContact CG2-CG 4.01Å; I295-G315 VanDerWaalsContact CG1-CA 3.4Å
296	L	95.2	Very high	87.8	Confident	101 Å²	101	65.2 Å²	65.2	53%	0.529	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-29.6	-168.8	-60.8	177.2	0	0	0	113.6	H241 P294 S313	H241-L296 WeakPolarHBondContact CB-O 3.5Å; P294-L296 HydrophobicContact CB-CD2 3.93Å; L296-S313 PolarHBondContact N-O 3.15Å; L296-S313 VanDerWaalsContact N-O 3.08Å
297	K	97.2	Very high	89	Confident	47 Å²	47	66 Å²	66	20%	0.204	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.9	178.9	-174.4	177.4	-170.3	179.6	0	110.2	F312 S313 D346 F347	K297-F312 WeakPolarHBondContact O-CA 3.39Å; K297-F312 WeakPolarHBondContact O-CB 3.39Å; K297-S313 PolarHBondContact O-N 2.85Å; K297-S313 VanDerWaalsContact O-N 3.15Å; K297-D346 WeakPolarHBondContact CD-OD1 3.39Å; K297-D346 IonicContact NZ-OD1 3.22Å; K297-D346 PolarHBondContact NZ-OD1 3.34Å; K297-D346 IonicContact NZ-OD2 2.8Å; K297-F347 HydrophobicContact CB-CD1 4.45Å; K297-F347 HydrophobicContact CB-CE1 3.71Å; K297-F347 HydrophobicContact CB-CZ 4.36Å; K297-F347 HydrophobicContact CD-CD1 4Å; K297-F347 HydrophobicContact CD-CE1 3.78Å; K297-F347 HydrophobicContact CD-CZ 4.2Å; K297-F347 WeakPolarHBondContact CE-O 3.21Å; K297-F347 HydrophobicContact CG-CD1 4.39Å; K297-F347 HydrophobicContact CG-CE1 3.68Å; K297-F347 HydrophobicContact CG-CZ 3.96Å; K297-F347 PolarHBondContact NZ-O 3.34Å
298	V	98.3	Very high	90.1	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.3	175.4	62.6	0	0	0	0	110.3	S242 I253 L261 I310 I311 F312	S242-V298 PolarHBondContact OG-N 3.48Å; S242-V298 PolarHBondContact OG-O 2.91Å; I253-V298 HydrophobicContact CD1-CG2 4.31Å; I253-V298 HydrophobicContact CG2-CG1 4.11Å; I253-V298 HydrophobicContact CG2-CG2 4.01Å; L261-V298 HydrophobicContact CD2-CB 4.2Å; L261-V298 HydrophobicContact CD2-CG2 4.04Å; V298-I310 HydrophobicContact CG2-CG2 3.9Å; V298-I311 CarbonylContact C-O 3.46Å; V298-I311 WeakPolarHBondContact CA-O 3.48Å; V298-F312 HydrophobicContact CB-CB 4.17Å; V298-F312 HydrophobicContact CG2-CB 4.22Å
299	E	98.1	Very high	91.4	Very high	20 Å²	20	52 Å²	52	9%	0.093	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139	168.9	-70.9	-165.2	-170.8	0	0	110.4	K301 I310 I311 F347 T349	E299-K301 WeakPolarHBondContact OE2-CE 3.21Å; E299-K301 IonicContact OE2-NZ 2.78Å; E299-I310 WeakPolarHBondContact O-CA 3.37Å; E299-I311 PolarHBondContact N-O 2.91Å; E299-I311 PolarHBondContact O-N 2.92Å; E299-F347 HydrophobicContact CB-CE2 4.1Å; E299-F347 HydrophobicContact CG-CE2 3.77Å; E299-F347 HydrophobicContact CG-CZ 4.18Å; E299-T349 WeakPolarHBondContact OE2-CB 3.13Å; E299-T349 PolarHBondContact OE2-N 2.78Å; E299-T349 VanDerWaalsContact OE2-N 3.17Å; E299-T349 PolarHBondContact OE2-OG1 3.32Å
300	Y	96.9	Very high	92.4	Very high	20 Å²	20	50.4 Å²	50.4	8%	0.078	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	108	179.1	-168.3	-161.7	0	0	0	109.5	H246 I253 P308 F309 I310	H246-Y300 HydrophobicContact CB-CD1 4.09Å; H246-Y300 HydrophobicContact CB-CE1 3.8Å; H246-Y300 AromaticContact CD2-CE1 3.57Å; H246-Y300 AromaticContact CD2-CZ 3.64Å; I253-Y300 HydrophobicContact CG2-CD1 4.29Å; I253-Y300 HydrophobicContact CG2-CG 4.31Å; Y300-P308 HydrophobicContact CD2-CB 4.04Å; Y300-P308 HydrophobicContact CE2-CB 3.39Å; Y300-P308 HydrophobicContact CE2-CG 3.47Å; Y300-P308 VanDerWaalsContact CE2-CG 3.47Å; Y300-F309 WeakPolarHBondContact CA-O 3.27Å; Y300-I310 HydrophobicContact CD2-CD1 4.45Å; Y300-I310 HydrophobicContact CD2-CG1 3.62Å; Y300-I310 HydrophobicContact CE2-CD1 4.19Å; Y300-I310 HydrophobicContact CE2-CG1 3.76Å
301	K	96.8	Very high	93.3	Very high	48 Å²	48	46.3 Å²	46.3	21%	0.209	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.5	-171.8	-56.3	-61.7	-179.3	175.6	0	110.4	E299 P308 F309 T349 P362	E299-K301 WeakPolarHBondContact OE2-CE 3.21Å; E299-K301 IonicContact OE2-NZ 2.78Å; K301-P308 CarbonylContact O-C 3.59Å; K301-P308 WeakPolarHBondContact O-CA 3.44Å; K301-P308 WeakPolarHBondContact O-CB 3.48Å; K301-F309 HydrophobicContact CB-CB 4.4Å; K301-F309 PolarHBondContact N-O 2.9Å; K301-F309 PolarHBondContact O-N 3.27Å; K301-T349 HydrophobicContact CG-CG2 4.07Å; K301-P362 HydrophobicContact CB-CB 4.02Å; K301-P362 HydrophobicContact CB-CG 3.78Å; K301-P362 HydrophobicContact CG-CB 4.44Å
302	T	95	Very high	94.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	22%	0.219	C	C	.	.			trans	-111.1	151.5	-171.4	63.5	0	0	0	0	112.3	H247 P308 Q360 E361	H247-T302 VanDerWaalsContact CD2-CG2 3.43Å; H247-T302 WeakPolarHBondContact CD2-CG2 3.45Å; H247-T302 PolarHBondContact CD2-OG1 3.46Å; H247-T302 VanDerWaalsContact CG-OG1 3.31Å; T302-P308 HydrophobicContact CG2-CB 4.06Å; T302-Q360 PolarHBondContact O-N 2.74Å; T302-Q360 VanDerWaalsContact O-N 3.1Å; T302-Q360 PolarHBondContact OG1-OE1 2.91Å; T302-E361 PolarHBondContact O-N 3.27Å
303	T	93.4	Very high	94.5	Very high	19 Å²	19	42.7 Å²	42.7	12%	0.117	22%	0.223	C	C	.	.			trans	-120.8	151.8	177.8	60.3	0	0	0	0	108.8	G306 D307 F309 F359 E361 P362	T303-G306 VanDerWaalsContact OG1-C 3.28Å; T303-G306 VanDerWaalsContact OG1-CA 3.29Å; T303-G306 WeakPolarHBondContact OG1-CA 3.34Å; T303-G306 PolarHBondContact OG1-N 3.25Å; T303-G306 PolarHBondContact OG1-O 3.36Å; T303-D307 PolarHBondContact OG1-O 2.64Å; T303-F309 HydrophobicContact CG2-CD2 4.01Å; T303-F309 HydrophobicContact CG2-CE2 3.85Å; T303-F359 VanDerWaalsContact C-CD1 3.43Å; T303-F359 WeakPolarHBondContact O-CD1 3.31Å; T303-F359 WeakPolarHBondContact O-CE1 3.49Å; T303-E361 WeakPolarHBondContact CB-OE2 3.31Å; T303-P362 HydrophobicContact CG2-CG 4.45Å
304	R	90.3	Very high	94.5	Very high	138 Å²	138	39.7 Å²	39.7	52%	0.521	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.1	-177.9	-171.8	-178.7	-59.4	-80.4	-5	112.4	F359 E361	R304-F359 HydrophobicContact CB-CB 4.38Å; R304-F359 HydrophobicContact CB-CD1 4.38Å; R304-F359 HydrophobicContact CB-CD2 4.32Å; R304-F359 HydrophobicContact CB-CG 4.11Å; R304-F359 HydrophobicContact CG-CD2 4.3Å; R304-F359 HydrophobicContact CG-CE2 4.42Å; R304-E361 WeakPolarHBondContact CB-OE1 3.33Å; R304-E361 PolarHBondContact N-OE1 2.88Å
305	N	83.1	Confident	94.2	Very high	157 Å²	157	37.7 Å²	37.7	84%	0.84	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.2	31.4	-170.4	-66.5	-23.5	0	0	0	113.1
306	G	83.9	Confident	93.8	Very high	46 Å²	46	38.5 Å²	38.5	47%	0.474	21%	0.208	S	C	.	.	S	Bend	trans	-158.9	-179.5	-176.3	0	0	0	0	0	114.1	T303	T303-G306 VanDerWaalsContact OG1-C 3.28Å; T303-G306 VanDerWaalsContact OG1-CA 3.29Å; T303-G306 WeakPolarHBondContact OG1-CA 3.34Å; T303-G306 PolarHBondContact OG1-N 3.25Å; T303-G306 PolarHBondContact OG1-O 3.36Å
307	D	92.2	Very high	93.3	Very high	93 Å²	93	34.3 Å²	34.3	50%	0.497	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-69.2	153.2	169.7	-72.8	-52.5	0	0	0	109.7	T303 H331 G332	T303-D307 PolarHBondContact OG1-O 2.64Å; D307-H331 PolarHBondContact O-CD2 2.98Å; D307-H331 PolarHBondContact O-NE2 3.43Å; D307-H331 VanDerWaalsContact O-NE2 3.13Å; D307-G332 VanDerWaalsContact CB-CA 3.46Å; D307-G332 VanDerWaalsContact CG-CA 3.4Å; D307-G332 WeakPolarHBondContact OD2-CA 3.37Å
308	P	94.6	Very high	92.5	Very high	34 Å²	34	38.2 Å²	38.2	22%	0.221	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-73	152.3	174.6	32.6	-37	0	0	0	111.2	Y300 K301 T302	Y300-P308 HydrophobicContact CD2-CB 4.04Å; Y300-P308 HydrophobicContact CE2-CB 3.39Å; Y300-P308 HydrophobicContact CE2-CG 3.47Å; Y300-P308 VanDerWaalsContact CE2-CG 3.47Å; K301-P308 CarbonylContact O-C 3.59Å; K301-P308 WeakPolarHBondContact O-CA 3.44Å; K301-P308 WeakPolarHBondContact O-CB 3.48Å; T302-P308 HydrophobicContact CG2-CB 4.06Å
309	F	96.9	Very high	91.4	Very high	13 Å²	13	43.3 Å²	43.3	6%	0.057	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.5	169.8	-74.8	-96.1	0	0	0	110	Y300 K301 T303 I311 V329 M330 H331 P362 L378 Y383	Y300-F309 WeakPolarHBondContact CA-O 3.27Å; K301-F309 HydrophobicContact CB-CB 4.4Å; K301-F309 PolarHBondContact N-O 2.9Å; K301-F309 PolarHBondContact O-N 3.27Å; T303-F309 HydrophobicContact CG2-CD2 4.01Å; T303-F309 HydrophobicContact CG2-CE2 3.85Å; F309-I311 HydrophobicContact CB-CD1 4.22Å; F309-I311 HydrophobicContact CB-CG1 4.31Å; F309-V329 HydrophobicContact CD1-CG1 3.8Å; F309-V329 HydrophobicContact CE1-CG1 4.16Å; F309-M330 WeakPolarHBondContact CA-O 3.27Å; F309-H331 HydrophobicContact CD1-CB 3.99Å; F309-H331 AromaticContact CD2-CD2 3.83Å; F309-H331 HydrophobicContact CE1-CB 3.89Å; F309-H331 AromaticContact CE1-CG 3.79Å; F309-H331 AromaticContact CE2-CD2 3.63Å; F309-H331 AromaticContact CE2-NE2 3.65Å; F309-H331 HydrophobicContact CZ-CB 4.38Å; F309-H331 AromaticContact CZ-CD2 3.78Å; F309-H331 AromaticContact CZ-CE1 3.88Å; F309-H331 AromaticContact CZ-CG 3.77Å; F309-H331 AromaticContact CZ-ND1 3.82Å; F309-H331 AromaticContact CZ-NE2 3.89Å; F309-P362 HydrophobicContact CB-CG 4.26Å; F309-P362 HydrophobicContact CD2-CG 3.45Å; F309-P362 VanDerWaalsContact CD2-CG 3.45Å; F309-P362 HydrophobicContact CE2-CG 3.98Å; F309-P362 HydrophobicContact CG-CG 3.97Å; F309-L378 HydrophobicContact CE1-CD2 4.35Å; F309-Y383 HydrophobicContact CE1-CE1 4.42Å
310	I	97.9	Very high	89.9	Confident	15 Å²	15	43.9 Å²	43.9	8%	0.077	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.6	166.3	-59.3	167.4	0	0	0	106.8	I253 L261 V298 E299 Y300 F312 M330	I253-I310 HydrophobicContact CD1-CD1 4.07Å; I253-I310 HydrophobicContact CD1-CG1 4.44Å; I253-I310 HydrophobicContact CD1-CG2 3.92Å; L261-I310 HydrophobicContact CD1-CG2 3.92Å; V298-I310 HydrophobicContact CG2-CG2 3.9Å; E299-I310 WeakPolarHBondContact O-CA 3.37Å; Y300-I310 HydrophobicContact CD2-CD1 4.45Å; Y300-I310 HydrophobicContact CD2-CG1 3.62Å; Y300-I310 HydrophobicContact CE2-CD1 4.19Å; Y300-I310 HydrophobicContact CE2-CG1 3.76Å; I310-F312 HydrophobicContact CG2-CD1 4.35Å; I310-M330 HydrophobicContact CB-CB 4.16Å; I310-M330 PolarHBondContact N-O 3.35Å; I310-M330 PolarHBondContact O-N 3.49Å
311	I	98.3	Very high	87.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	-175.4	-57.5	160.9	0	0	0	107.9	V298 E299 F309 L327 T328 V329 F347 T349 V365 L378	V298-I311 CarbonylContact C-O 3.46Å; V298-I311 WeakPolarHBondContact CA-O 3.48Å; E299-I311 PolarHBondContact N-O 2.91Å; E299-I311 PolarHBondContact O-N 2.92Å; F309-I311 HydrophobicContact CB-CD1 4.22Å; F309-I311 HydrophobicContact CB-CG1 4.31Å; I311-L327 HydrophobicContact CG2-CD1 4Å; I311-L327 HydrophobicContact CG2-CD2 4.02Å; I311-L327 HydrophobicContact CG2-CG 4.05Å; I311-T328 WeakPolarHBondContact CA-O 3.34Å; I311-V329 HydrophobicContact CG1-CG1 4.23Å; I311-V329 HydrophobicContact CG1-CG2 4.36Å; I311-V329 HydrophobicContact CG2-CG2 4.42Å; I311-F347 HydrophobicContact CB-CE2 4.16Å; I311-F347 HydrophobicContact CG2-CD2 4.12Å; I311-F347 HydrophobicContact CG2-CE2 3.65Å; I311-F347 HydrophobicContact CG2-CZ 4.17Å; I311-F347 WeakPolarHBondContact O-CZ 3.19Å; I311-T349 HydrophobicContact CD1-CG2 4Å; I311-V365 HydrophobicContact CD1-CG2 3.8Å; I311-V365 HydrophobicContact CG2-CG2 4.49Å; I311-L378 HydrophobicContact CD1-CD1 3.95Å
312	F	98.1	Very high	86.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.8	-177.4	66.4	-90	0	0	0	113.8	L261 P278 H279 I295 K297 V298 I310 T328 M330	L261-F312 HydrophobicContact CD1-CD1 4Å; L261-F312 HydrophobicContact CD1-CE1 4.07Å; P278-F312 HydrophobicContact CB-CE1 4.28Å; P278-F312 HydrophobicContact CB-CZ 3.65Å; P278-F312 HydrophobicContact CG-CE1 4.05Å; P278-F312 HydrophobicContact CG-CE2 4.43Å; P278-F312 HydrophobicContact CG-CZ 3.62Å; H279-F312 AromaticContact NE2-CE2 3.73Å; H279-F312 AromaticContact NE2-CZ 3.68Å; I295-F312 HydrophobicContact CB-CD2 4.48Å; I295-F312 HydrophobicContact CD1-CD2 3.87Å; I295-F312 HydrophobicContact CD1-CE2 3.83Å; I295-F312 HydrophobicContact CD1-CZ 4.46Å; I295-F312 HydrophobicContact CG1-CD2 3.91Å; I295-F312 HydrophobicContact CG1-CE2 4.11Å; I295-F312 HydrophobicContact CG2-CB 3.72Å; I295-F312 HydrophobicContact CG2-CD2 3.71Å; I295-F312 HydrophobicContact CG2-CG 4.01Å; K297-F312 WeakPolarHBondContact O-CA 3.39Å; K297-F312 WeakPolarHBondContact O-CB 3.39Å; V298-F312 HydrophobicContact CB-CB 4.17Å; V298-F312 HydrophobicContact CG2-CB 4.22Å; I310-F312 HydrophobicContact CG2-CD1 4.35Å; F312-T328 HydrophobicContact CD1-CG2 4.42Å; F312-T328 HydrophobicContact CE1-CG2 3.54Å; F312-T328 HydrophobicContact CE2-CG2 4.21Å; F312-T328 HydrophobicContact CZ-CG2 3.42Å; F312-T328 VanDerWaalsContact CZ-CG2 3.42Å; F312-T328 PolarHBondContact N-O 2.88Å; F312-T328 PolarHBondContact O-N 2.88Å; F312-M330 HydrophobicContact CE1-CG 4.03Å; F312-M330 HydrophobicContact CE1-SD 3.73Å
313	S	96.1	Very high	84.7	Confident	12 Å²	12	57.5 Å²	57.5	8%	0.084	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.6	174.9	59	0	0	0	0	111.2	L296 K297	L296-S313 PolarHBondContact N-O 3.15Å; L296-S313 VanDerWaalsContact N-O 3.08Å; K297-S313 PolarHBondContact O-N 2.85Å; K297-S313 VanDerWaalsContact O-N 3.15Å
314	G	91	Very high	84.1	Confident	23 Å²	23	62.9 Å²	62.9	24%	0.237	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.8	-155.2	-177.4	0	0	0	0	0	113.2	P294 L316	P294-G314 WeakPolarHBondContact O-CA 3.37Å; G314-L316 VanDerWaalsContact C-N 3.35Å; G314-L316 PolarHBondContact O-N 3.28Å
315	G	88.6	Confident	84	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.33	C	S	.	.			trans	82	1.1	178.1	0	0	0	0	0	116.1	H279 C292 K293 P294 I295	H279-G315 WeakPolarHBondContact CB-O 3.47Å; H279-G315 PolarHBondContact CD2-O 3.13Å; C292-G315 WeakPolarHBondContact CB-O 3.2Å; K293-G315 WeakPolarHBondContact O-CA 3.45Å; K293-G315 PolarHBondContact O-N 2.95Å; P294-G315 PolarHBondContact O-N 3.44Å; I295-G315 VanDerWaalsContact CG1-CA 3.4Å
316	L	87.8	Confident	84.4	Confident	18 Å²	18	51.4 Å²	51.4	9%	0.094	29%	0.292	C	S	.	.			trans	-69.2	146.7	-178.9	-68.4	178.6	0	0	0	112.3	K293 G314 R323 C326	K293-L316 VanDerWaalsContact CB-O 3.31Å; K293-L316 WeakPolarHBondContact CB-O 3.42Å; K293-L316 WeakPolarHBondContact CG-O 3.36Å; K293-L316 PolarHBondContact N-O 3.25Å; G314-L316 VanDerWaalsContact C-N 3.35Å; G314-L316 PolarHBondContact O-N 3.28Å; L316-R323 HydrophobicContact CD1-CB 4.41Å; L316-C326 HydrophobicContact CD1-CB 4.47Å; L316-C326 VanDerWaalsContact CD1-SG 3.57Å; L316-C326 VanDerWaalsContact CD2-SG 3.58Å; L316-C326 WeakPolarHBondContact CG-SG 3.48Å
317	S	84.9	Confident	85	Confident	13 Å²	13	49.2 Å²	49.2	9%	0.091	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-61	147	174.9	170.6	0	0	0	0	112.4	D319 T320	S317-D319 PolarHBondContact O-N 2.86Å; S317-D319 PolarHBondContact OG-N 2.94Å; S317-T320 PolarHBondContact O-N 2.87Å; S317-T320 PolarHBondContact O-OG1 2.95Å
318	Y	81	Confident	85.2	Confident	128 Å²	128	44.8 Å²	44.8	50%	0.502	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.4	176.6	-75.4	-82.1	0	0	0	113.5	P291 C292 K293 T320	P291-Y318 WeakPolarHBondContact O-CD2 3.22Å; C292-Y318 VanDerWaalsContact C-CE2 3.46Å; C292-Y318 WeakPolarHBondContact O-CE2 3.35Å; K293-Y318 HydrophobicContact CG-CD1 4.15Å; K293-Y318 HydrophobicContact CG-CE1 3.92Å; Y318-T320 PolarHBondContact O-N 2.83Å; Y318-T320 VanDerWaalsContact O-N 3.16Å
319	D	74.9	Confident	85.3	Confident	109 Å²	109	43.1 Å²	43.1	58%	0.583	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.4	178.9	-62.9	-13.9	0	0	0	113	K281 S317 V321	K281-D319 IonicContact NZ-OD2 3.51Å; K281-D319 PolarHBondContact NZ-OD2 2.86Å; S317-D319 PolarHBondContact O-N 2.86Å; S317-D319 PolarHBondContact OG-N 2.94Å; D319-V321 PolarHBondContact O-N 3.43Å
320	T	66.3	Low	85.3	Confident	32 Å²	32	43.5 Å²	43.5	20%	0.196	24%	0.238	C	C	.	.			trans	-81.2	41.7	179.7	61.7	0	0	0	0	113.1	S317 Y318 G322 R323	S317-T320 PolarHBondContact O-N 2.87Å; S317-T320 PolarHBondContact O-OG1 2.95Å; Y318-T320 PolarHBondContact O-N 2.83Å; Y318-T320 VanDerWaalsContact O-N 3.16Å; T320-G322 PolarHBondContact O-N 2.77Å; T320-G322 VanDerWaalsContact O-N 3.11Å; T320-R323 PolarHBondContact O-N 2.86Å
321	V	55.4	Low	85.1	Confident	137 Å²	137	45.6 Å²	45.6	83%	0.83	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	119.8	176.2	-177.7	0	0	0	0	109.1	D319	D319-V321 PolarHBondContact O-N 3.43Å
322	G	59.2	Low	84.7	Confident	79 Å²	79	47.2 Å²	47.2	81%	0.814	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-1.4	-179.7	0	0	0	0	0	116.6	T320	T320-G322 PolarHBondContact O-N 2.77Å; T320-G322 VanDerWaalsContact O-N 3.11Å
323	R	65.6	Low	84.2	Confident	141 Å²	141	57.4 Å²	57.4	53%	0.532	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-74.3	139.1	171.2	-81.7	-159.2	-179.7	-163.1	0.1	112.1	L316 T320	L316-R323 HydrophobicContact CD1-CB 4.41Å; T320-R323 PolarHBondContact O-N 2.86Å
324	R	79.1	Confident	84	Confident	132 Å²	132	60 Å²	60	50%	0.498	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-63.1	153.5	174.6	-70.5	178.2	179.1	-164.5	-9.5	111.2	E339 M340 D341	R324-E339 HydrophobicContact CB-CB 4.37Å; R324-M340 WeakPolarHBondContact CB-O 3.34Å; R324-D341 IonicContact CZ-OD1 2.71Å; R324-D341 IonicContact NH1-OD1 3.11Å; R324-D341 PolarHBondContact NH1-OD1 2.87Å
325	P	88.5	Confident	84.1	Confident	48 Å²	48	62.8 Å²	62.8	31%	0.312	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-49.7	144.8	169.6	-24.4	34.6	0	0	0	110.9	M340 P343	P325-M340 WeakPolarHBondContact O-CB 3.46Å; P325-M340 PolarHBondContact O-N 3.25Å; P325-P343 HydrophobicContact CG-CB 4.33Å; P325-P343 HydrophobicContact CG-CG 4.28Å
326	C	91.9	Very high	84.4	Confident	6 Å²	6	63.7 Å²	63.7	4%	0.041	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.7	-176	73.1	0	0	0	0	114	L316 V337 L338 I344	L316-C326 HydrophobicContact CD1-CB 4.47Å; L316-C326 VanDerWaalsContact CD1-SG 3.57Å; L316-C326 VanDerWaalsContact CD2-SG 3.58Å; L316-C326 WeakPolarHBondContact CG-SG 3.48Å; C326-V337 HydrophobicContact CB-CG1 3.72Å; C326-L338 CarbonylContact C-O 3.36Å; C326-L338 WeakPolarHBondContact CA-O 3.46Å; C326-L338 WeakPolarHBondContact CB-O 3.49Å; C326-I344 VanDerWaalsContact O-CD1 3.32Å; C326-I344 WeakPolarHBondContact O-CD1 3.48Å
327	L	96.5	Very high	84.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	164.7	-171.4	80.2	0	0	0	107.8	I311 L338 M340 I344 F347 V365 V367 I376	I311-L327 HydrophobicContact CG2-CD1 4Å; I311-L327 HydrophobicContact CG2-CD2 4.02Å; I311-L327 HydrophobicContact CG2-CG 4.05Å; L327-L338 PolarHBondContact N-O 3.3Å; L327-L338 WeakPolarHBondContact O-CB 3.41Å; L327-L338 PolarHBondContact O-N 3.43Å; L327-M340 HydrophobicContact CB-CE 3.61Å; L327-I344 HydrophobicContact CB-CD1 4.1Å; L327-I344 HydrophobicContact CD1-CD1 4.49Å; L327-F347 HydrophobicContact CD1-CB 4.22Å; L327-F347 HydrophobicContact CD1-CD1 3.68Å; L327-F347 HydrophobicContact CD1-CD2 4.18Å; L327-F347 HydrophobicContact CD1-CE1 4.02Å; L327-F347 HydrophobicContact CD1-CG 3.76Å; L327-F347 HydrophobicContact CD1-CZ 4.43Å; L327-V365 HydrophobicContact CD2-CG1 3.98Å; L327-V367 HydrophobicContact CD2-CG2 3.89Å; L327-I376 HydrophobicContact CD2-CD1 4.11Å
328	T	96.8	Very high	85	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.5	176.6	-55.6	0	0	0	0	110	H279 I311 F312 M330 I335 A336 V337	H279-T328 PolarHBondContact CE1-OG1 3.09Å; H279-T328 PolarHBondContact NE2-OG1 3.2Å; I311-T328 WeakPolarHBondContact CA-O 3.34Å; F312-T328 HydrophobicContact CD1-CG2 4.42Å; F312-T328 HydrophobicContact CE1-CG2 3.54Å; F312-T328 HydrophobicContact CE2-CG2 4.21Å; F312-T328 HydrophobicContact CZ-CG2 3.42Å; F312-T328 VanDerWaalsContact CZ-CG2 3.42Å; F312-T328 PolarHBondContact N-O 2.88Å; F312-T328 PolarHBondContact O-N 2.88Å; T328-M330 HydrophobicContact CG2-CG 4.33Å; T328-I335 HydrophobicContact CG2-CG2 3.69Å; T328-A336 CarbonylContact C-O 3.52Å; T328-A336 WeakPolarHBondContact CA-O 3.45Å; T328-V337 HydrophobicContact CG2-CG2 4.36Å
329	V	97.2	Very high	85.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.4	173.6	-176.9	0	0	0	0	108.3	F309 I311 A336 L338 L378 Y383	F309-V329 HydrophobicContact CD1-CG1 3.8Å; F309-V329 HydrophobicContact CE1-CG1 4.16Å; I311-V329 HydrophobicContact CG1-CG1 4.23Å; I311-V329 HydrophobicContact CG1-CG2 4.36Å; I311-V329 HydrophobicContact CG2-CG2 4.42Å; V329-A336 PolarHBondContact N-O 3.39Å; V329-A336 PolarHBondContact O-N 3.1Å; V329-L338 HydrophobicContact CG2-CD1 4.05Å; V329-L378 HydrophobicContact CG1-CD2 4.35Å; V329-L378 HydrophobicContact CG2-CD2 4.49Å; V329-Y383 HydrophobicContact CB-CE2 4.33Å; V329-Y383 HydrophobicContact CG1-CE1 4.2Å; V329-Y383 HydrophobicContact CG1-CE2 4.32Å
330	M	96.1	Very high	86.4	Confident	21 Å²	21	60.5 Å²	60.5	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.2	169.7	-60.9	176.1	55.4	0	0	109.2	I276 P278 F309 I310 F312 T328 S334 I335	I276-M330 HydrophobicContact CG2-CE 4.25Å; P278-M330 HydrophobicContact CB-SD 4.19Å; P278-M330 HydrophobicContact CG-SD 4.1Å; F309-M330 WeakPolarHBondContact CA-O 3.27Å; I310-M330 HydrophobicContact CB-CB 4.16Å; I310-M330 PolarHBondContact N-O 3.35Å; I310-M330 PolarHBondContact O-N 3.49Å; F312-M330 HydrophobicContact CE1-CG 4.03Å; F312-M330 HydrophobicContact CE1-SD 3.73Å; T328-M330 HydrophobicContact CG2-CG 4.33Å; M330-S334 WeakPolarHBondContact CA-O 3.32Å; M330-I335 HydrophobicContact CE-CD1 4.44Å; M330-I335 HydrophobicContact CG-CG1 4.1Å; M330-I335 HydrophobicContact CG-CG2 4.26Å
331	H	93.9	Very high	87.5	Confident	58 Å²	58	63.8 Å²	63.8	27%	0.269	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	108.7	177	179.9	-132.4	0	0	0	108.7	D307 F309 K333 S334	D307-H331 PolarHBondContact O-CD2 2.98Å; D307-H331 PolarHBondContact O-NE2 3.43Å; D307-H331 VanDerWaalsContact O-NE2 3.13Å; F309-H331 HydrophobicContact CD1-CB 3.99Å; F309-H331 AromaticContact CD2-CD2 3.83Å; F309-H331 HydrophobicContact CE1-CB 3.89Å; F309-H331 AromaticContact CE1-CG 3.79Å; F309-H331 AromaticContact CE2-CD2 3.63Å; F309-H331 AromaticContact CE2-NE2 3.65Å; F309-H331 HydrophobicContact CZ-CB 4.38Å; F309-H331 AromaticContact CZ-CD2 3.78Å; F309-H331 AromaticContact CZ-CE1 3.88Å; F309-H331 AromaticContact CZ-CG 3.77Å; F309-H331 AromaticContact CZ-ND1 3.82Å; F309-H331 AromaticContact CZ-NE2 3.89Å; H331-K333 PolarHBondContact O-N 3.25Å; H331-S334 PolarHBondContact N-O 3.43Å; H331-S334 VanDerWaalsContact O-CB 3.31Å; H331-S334 WeakPolarHBondContact O-CB 3.43Å; H331-S334 PolarHBondContact O-N 2.62Å
332	G	89.3	Confident	89.2	Confident	35 Å²	35	61.1 Å²	61.1	36%	0.361	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-121.9	-169.6	0	0	0	0	0	112	D307	D307-G332 VanDerWaalsContact CB-CA 3.46Å; D307-G332 VanDerWaalsContact CG-CA 3.4Å; D307-G332 WeakPolarHBondContact OD2-CA 3.37Å
333	K	88.9	Confident	90.8	Very high	214 Å²	214	59.7 Å²	59.7	93%	0.93	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.9	175.2	-62.9	-179.5	-178.1	176.1	0	113.6	H331	H331-K333 PolarHBondContact O-N 3.25Å
334	S	91.3	Very high	92.3	Very high	65 Å²	65	54.8 Å²	54.8	46%	0.455	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.6	-178	-169.7	0	0	0	0	110.4	M330 H331	M330-S334 WeakPolarHBondContact CA-O 3.32Å; H331-S334 PolarHBondContact N-O 3.43Å; H331-S334 VanDerWaalsContact O-CB 3.31Å; H331-S334 WeakPolarHBondContact O-CB 3.43Å; H331-S334 PolarHBondContact O-N 2.62Å
335	I	92.9	Very high	93.2	Very high	82 Å²	82	50.8 Å²	50.8	42%	0.421	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.6	171.4	-53.6	-174.6	0	0	0	107.1	T328 M330	T328-I335 HydrophobicContact CG2-CG2 3.69Å; M330-I335 HydrophobicContact CE-CD1 4.44Å; M330-I335 HydrophobicContact CG-CG1 4.1Å; M330-I335 HydrophobicContact CG-CG2 4.26Å
336	A	94.3	Very high	93.6	Very high	20 Å²	20	50 Å²	50	17%	0.165	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	173.3	0	0	0	0	0	110	T328 V329 L338 Y383	T328-A336 CarbonylContact C-O 3.52Å; T328-A336 WeakPolarHBondContact CA-O 3.45Å; V329-A336 PolarHBondContact N-O 3.39Å; V329-A336 PolarHBondContact O-N 3.1Å; A336-L338 HydrophobicContact CB-CD2 4.48Å; A336-Y383 HydrophobicContact CB-CD2 3.8Å; A336-Y383 HydrophobicContact CB-CE2 3.46Å; A336-Y383 VanDerWaalsContact CB-CE2 3.46Å
337	V	93.3	Very high	93.9	Very high	51 Å²	51	49.7 Å²	49.7	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.7	175.7	-174.9	0	0	0	0	108	C326 T328	C326-V337 HydrophobicContact CB-CG1 3.72Å; T328-V337 HydrophobicContact CG2-CG2 4.36Å
338	L	93.9	Very high	93.9	Very high	34 Å²	34	51.1 Å²	51.1	18%	0.178	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.2	-177.6	-51.1	179.3	0	0	0	108	C326 L327 V329 A336 M340 I376 Y383	C326-L338 CarbonylContact C-O 3.36Å; C326-L338 WeakPolarHBondContact CA-O 3.46Å; C326-L338 WeakPolarHBondContact CB-O 3.49Å; L327-L338 PolarHBondContact N-O 3.3Å; L327-L338 WeakPolarHBondContact O-CB 3.41Å; L327-L338 PolarHBondContact O-N 3.43Å; V329-L338 HydrophobicContact CG2-CD1 4.05Å; A336-L338 HydrophobicContact CB-CD2 4.48Å; L338-M340 HydrophobicContact CB-CE 3.81Å; L338-I376 HydrophobicContact CD1-CD1 3.69Å; L338-I376 HydrophobicContact CD1-CG2 4.07Å; L338-Y383 HydrophobicContact CD2-CD2 4.31Å
339	E	91.9	Very high	94	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.9	178.9	-63.5	-173.5	171.9	0	0	110.8	R324	R324-E339 HydrophobicContact CB-CB 4.37Å
340	M	91.8	Very high	94	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.049	28%	0.277	C	S	.	.			trans	-109.6	144.6	-178.1	-57.2	-59.2	160	0	0	110.5	R324 P325 L327 L338 Y342 I344 L369 I376	R324-M340 WeakPolarHBondContact CB-O 3.34Å; P325-M340 WeakPolarHBondContact O-CB 3.46Å; P325-M340 PolarHBondContact O-N 3.25Å; L327-M340 HydrophobicContact CB-CE 3.61Å; L338-M340 HydrophobicContact CB-CE 3.81Å; M340-Y342 WeakPolarHBondContact CB-O 3.45Å; M340-Y342 PolarHBondContact O-N 3.15Å; M340-I344 HydrophobicContact CG-CD1 4.02Å; M340-I344 HydrophobicContact CG-CG1 4Å; M340-L369 HydrophobicContact CB-CD1 4.16Å; M340-L369 HydrophobicContact CB-CD2 4.02Å; M340-L369 HydrophobicContact CG-CD2 4.04Å; M340-L369 HydrophobicContact SD-CD2 4.44Å; M340-I376 HydrophobicContact CE-CD1 3.93Å
341	D	89.3	Confident	94	Very high	102 Å²	102	51.6 Å²	51.6	55%	0.545	28%	0.277	S	S	.	.	S	Bend	trans	-71.1	-22.2	178.1	-73.3	-40.2	0	0	0	113	R324	R324-D341 IonicContact CZ-OD1 2.71Å; R324-D341 IonicContact NH1-OD1 3.11Å; R324-D341 PolarHBondContact NH1-OD1 2.87Å
342	Y	91.6	Very high	93.9	Very high	80 Å²	80	55.6 Å²	55.6	31%	0.314	30%	0.296	S	S	.	.	S	Bend	trans	-135.5	161.2	-178.2	-59.1	-69.1	0	0	0	111.5	M340 K371 D372	M340-Y342 WeakPolarHBondContact CB-O 3.45Å; M340-Y342 PolarHBondContact O-N 3.15Å; Y342-K371 HydrophobicContact CD1-CB 4.16Å; Y342-K371 HydrophobicContact CD1-CD 3.91Å; Y342-K371 HydrophobicContact CD1-CG 4.2Å; Y342-K371 HydrophobicContact CD2-CB 3.97Å; Y342-K371 HydrophobicContact CE1-CB 4.22Å; Y342-K371 HydrophobicContact CE1-CD 3.68Å; Y342-K371 HydrophobicContact CE1-CG 4.35Å; Y342-K371 HydrophobicContact CE2-CB 4.01Å; Y342-K371 HydrophobicContact CG-CB 4.04Å; Y342-K371 HydrophobicContact CG-CG 4.46Å; Y342-D372 HydrophobicContact CD2-CB 4.15Å; Y342-D372 HydrophobicContact CE2-CB 4.42Å
343	P	93.6	Very high	93.9	Very high	50 Å²	50	54.9 Å²	54.9	33%	0.325	28%	0.284	S	S	.	.			trans	-56.7	139.2	174.6	-24.4	35.1	0	0	0	112.4	P325 L369 E370	P325-P343 HydrophobicContact CG-CB 4.33Å; P325-P343 HydrophobicContact CG-CG 4.28Å; P343-L369 CarbonylContact O-C 3.53Å; P343-L369 VanDerWaalsContact O-CA 3.28Å; P343-L369 WeakPolarHBondContact O-CA 3.36Å; P343-E370 HydrophobicContact CB-CG 3.99Å; P343-E370 HydrophobicContact CG-CG 4.29Å; P343-E370 PolarHBondContact O-N 3.39Å
344	I	96.2	Very high	94	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.195	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.9	175.6	-60.1	173.5	0	0	0	107.9	C326 L327 M340 V367 L369	C326-I344 VanDerWaalsContact O-CD1 3.32Å; C326-I344 WeakPolarHBondContact O-CD1 3.48Å; L327-I344 HydrophobicContact CB-CD1 4.1Å; L327-I344 HydrophobicContact CD1-CD1 4.49Å; M340-I344 HydrophobicContact CG-CD1 4.02Å; M340-I344 HydrophobicContact CG-CG1 4Å; I344-V367 HydrophobicContact CD1-CG1 4.36Å; I344-V367 HydrophobicContact CG1-CG1 4.1Å; I344-V367 HydrophobicContact CG2-CG1 4.1Å; I344-L369 HydrophobicContact CB-CD2 4.29Å; I344-L369 HydrophobicContact CG1-CD2 3.67Å
345	V	97.2	Very high	94	Very high	47 Å²	47	44 Å²	44	29%	0.285	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-47.7	171.3	174.9	0	0	0	0	109.7	P60 L368 E370	P60-V345 HydrophobicContact CG-CG2 4.28Å; V345-L368 HydrophobicContact CB-CD2 4.37Å; V345-L368 HydrophobicContact CB-CG 4.19Å; V345-L368 HydrophobicContact CG1-CD2 4.13Å; V345-L368 HydrophobicContact CG1-CG 4.48Å; V345-L368 PolarHBondContact N-O 3.02Å; V345-E370 HydrophobicContact CG2-CG 3.92Å
346	D	97.6	Very high	93.8	Very high	31 Å²	31	43.1 Å²	43.1	17%	0.166	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.3	178.4	-165.7	12.4	0	0	0	110.8	M63 K297 L368	M63-D346 HydrophobicContact CE-CB 3.77Å; M63-D346 WeakPolarHBondContact CE-O 3.46Å; M63-D346 HydrophobicContact CG-CB 4.15Å; K297-D346 WeakPolarHBondContact CD-OD1 3.39Å; K297-D346 IonicContact NZ-OD1 3.22Å; K297-D346 PolarHBondContact NZ-OD1 3.34Å; K297-D346 IonicContact NZ-OD2 2.8Å; D346-L368 PolarHBondContact N-O 2.99Å; D346-L368 PolarHBondContact O-N 2.87Å
347	F	98.3	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	151	168.5	76.9	-92	0	0	0	112.1	M63 K297 E299 I311 L327 V365 V366 V367	M63-F347 VanDerWaalsContact CE-N 3.3Å; K297-F347 HydrophobicContact CB-CD1 4.45Å; K297-F347 HydrophobicContact CB-CE1 3.71Å; K297-F347 HydrophobicContact CB-CZ 4.36Å; K297-F347 HydrophobicContact CD-CD1 4Å; K297-F347 HydrophobicContact CD-CE1 3.78Å; K297-F347 HydrophobicContact CD-CZ 4.2Å; K297-F347 WeakPolarHBondContact CE-O 3.21Å; K297-F347 HydrophobicContact CG-CD1 4.39Å; K297-F347 HydrophobicContact CG-CE1 3.68Å; K297-F347 HydrophobicContact CG-CZ 3.96Å; K297-F347 PolarHBondContact NZ-O 3.34Å; E299-F347 HydrophobicContact CB-CE2 4.1Å; E299-F347 HydrophobicContact CG-CE2 3.77Å; E299-F347 HydrophobicContact CG-CZ 4.18Å; I311-F347 HydrophobicContact CB-CE2 4.16Å; I311-F347 HydrophobicContact CG2-CD2 4.12Å; I311-F347 HydrophobicContact CG2-CE2 3.65Å; I311-F347 HydrophobicContact CG2-CZ 4.17Å; I311-F347 WeakPolarHBondContact O-CZ 3.19Å; L327-F347 HydrophobicContact CD1-CB 4.22Å; L327-F347 HydrophobicContact CD1-CD1 3.68Å; L327-F347 HydrophobicContact CD1-CD2 4.18Å; L327-F347 HydrophobicContact CD1-CE1 4.02Å; L327-F347 HydrophobicContact CD1-CG 3.76Å; L327-F347 HydrophobicContact CD1-CZ 4.43Å; F347-V365 HydrophobicContact CB-CG1 4.24Å; F347-V365 HydrophobicContact CD2-CG1 4Å; F347-V366 CarbonylContact C-O 3.58Å; F347-V366 WeakPolarHBondContact CA-O 3.4Å; F347-V367 HydrophobicContact CB-CG1 4.47Å; F347-V367 HydrophobicContact CB-CG2 4.39Å
348	L	97.6	Very high	93.4	Very high	30 Å²	30	42.8 Å²	42.8	16%	0.157	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.9	176.6	-65.3	168.5	0	0	0	110	M63 F65 V365 V366	M63-L348 HydrophobicContact CB-CD1 4.3Å; M63-L348 HydrophobicContact CE-CD1 4.41Å; M63-L348 HydrophobicContact CE-CG 4.08Å; M63-L348 HydrophobicContact CG-CD1 3.68Å; M63-L348 HydrophobicContact CG-CG 4.12Å; M63-L348 HydrophobicContact SD-CD1 3.74Å; M63-L348 HydrophobicContact SD-CG 4.07Å; F65-L348 HydrophobicContact CB-CD1 4.15Å; L348-V365 WeakPolarHBondContact O-CA 3.18Å; L348-V366 PolarHBondContact N-O 3.49Å; L348-V366 PolarHBondContact O-N 3.33Å
349	T	97.8	Very high	93.3	Very high	15 Å²	15	43.9 Å²	43.9	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.1	172.7	-46.1	0	0	0	0	111.1	E299 K301 I311 P362 A364 V365 L378	E299-T349 WeakPolarHBondContact OE2-CB 3.13Å; E299-T349 PolarHBondContact OE2-N 2.78Å; E299-T349 VanDerWaalsContact OE2-N 3.17Å; E299-T349 PolarHBondContact OE2-OG1 3.32Å; K301-T349 HydrophobicContact CG-CG2 4.07Å; I311-T349 HydrophobicContact CD1-CG2 4Å; T349-P362 HydrophobicContact CG2-CB 3.42Å; T349-P362 VanDerWaalsContact CG2-CB 3.42Å; T349-A364 WeakPolarHBondContact CG2-O 3.46Å; T349-V365 HydrophobicContact CG2-CG2 4.41Å; T349-L378 HydrophobicContact CG2-CD1 3.93Å
350	L	97.5	Very high	93.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.2	175.7	-49	-168.1	0	0	0	109.9	F65 P362 Y363 A364 V366 P434	F65-L350 HydrophobicContact CD1-CD2 3.49Å; F65-L350 VanDerWaalsContact CD1-CD2 3.49Å; F65-L350 HydrophobicContact CD2-CD2 4.41Å; F65-L350 HydrophobicContact CE1-CD1 4.45Å; F65-L350 HydrophobicContact CE1-CD2 3.6Å; F65-L350 HydrophobicContact CE1-CG 4.46Å; F65-L350 HydrophobicContact CG-CD2 3.91Å; F65-L350 HydrophobicContact CZ-CD1 4.36Å; F65-L350 HydrophobicContact CZ-CD2 4.15Å; L350-P362 CarbonylContact O-C 3.5Å; L350-P362 WeakPolarHBondContact O-CA 3.25Å; L350-Y363 HydrophobicContact CB-CD2 4.29Å; L350-Y363 HydrophobicContact CB-CE1 4.01Å; L350-Y363 HydrophobicContact CB-CE2 3.66Å; L350-Y363 HydrophobicContact CD1-CE2 3.99Å; L350-Y363 HydrophobicContact CG-CE2 4.48Å; L350-Y363 PolarHBondContact O-N 3.41Å; L350-A364 HydrophobicContact CB-CB 4.23Å; L350-A364 HydrophobicContact CD1-CB 4.09Å; L350-A364 HydrophobicContact CG-CB 4.23Å; L350-A364 PolarHBondContact N-O 2.98Å; L350-V366 HydrophobicContact CD1-CG2 3.82Å; L350-V366 HydrophobicContact CD2-CG2 3.78Å; L350-V366 HydrophobicContact CG-CG2 3.89Å; L350-P434 HydrophobicContact CD1-CB 3.69Å; L350-P434 HydrophobicContact CD1-CG 3.73Å
351	C	95.3	Very high	93.5	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.101	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.7	-173.1	-68.2	0	0	0	0	110.4	T353 Q360 Y363	C351-T353 PolarHBondContact O-N 3.23Å; C351-Q360 WeakPolarHBondContact CA-O 3.44Å; C351-Q360 HydrophobicContact CB-CB 4.03Å; C351-Q360 WeakPolarHBondContact CB-O 3.28Å; C351-Y363 VanDerWaalsContact C-CE1 3.49Å; C351-Y363 WeakPolarHBondContact O-CE1 3.35Å
352	E	91.7	Very high	93.8	Very high	142 Å²	142	37 Å²	37	66%	0.664	19%	0.194	S	C	*	.	S	Bend	trans	-67.5	-21.8	-179.6	-68.7	-169.8	164.7	0	0	112.9	Q360 E361 Y363	E352-Q360 PolarHBondContact N-O 2.92Å; E352-E361 HydrophobicContact CB-CB 4.19Å; E352-E361 HydrophobicContact CG-CB 3.94Å; E352-E361 PolarHBondContact N-O 3.44Å; E352-Y363 HydrophobicContact CG-CD1 4.05Å
353	T	90.6	Very high	94	Very high	20 Å²	20	35.3 Å²	35.3	12%	0.123	19%	0.188	C	C	.	.			trans	-129.7	140.7	-176.2	177.7	0	0	0	0	111.9	C351 Y355 D358 F359	C351-T353 PolarHBondContact O-N 3.23Å; T353-Y355 VanDerWaalsContact C-N 3.26Å; T353-Y355 WeakPolarHBondContact OG1-CD2 3.44Å; T353-Y355 PolarHBondContact OG1-N 3.25Å; T353-D358 HydrophobicContact CG2-CB 4.18Å; T353-F359 WeakPolarHBondContact CG2-O 3.49Å
354	P	90.4	Very high	94.2	Very high	23 Å²	23	33 Å²	33	15%	0.149	17%	0.172	C	C	.	.	S	Bend	trans	-76.4	-12.9	171.5	32.1	-35.2	0	0	0	113	P67 V68 I108 F152 S356	P67-P354 HydrophobicContact CG-CB 3.93Å; V68-P354 HydrophobicContact CG2-CB 4.5Å; V68-P354 HydrophobicContact CG2-CG 4.18Å; I108-P354 HydrophobicContact CG2-CB 4.47Å; F152-P354 HydrophobicContact CD1-CB 4.27Å; F152-P354 HydrophobicContact CD2-CB 4.42Å; F152-P354 HydrophobicContact CE1-CB 3.87Å; F152-P354 HydrophobicContact CE1-CG 3.72Å; F152-P354 HydrophobicContact CE2-CB 4.06Å; F152-P354 HydrophobicContact CE2-CG 4.36Å; F152-P354 HydrophobicContact CZ-CB 3.75Å; F152-P354 HydrophobicContact CZ-CG 3.61Å; P354-S356 PolarHBondContact O-N 3.46Å
355	Y	90.4	Very high	94.3	Very high	27 Å²	27	31.1 Å²	31.1	11%	0.106	16%	0.163	C	C	.	.			trans	-80.5	115.5	-175.5	-63.2	-82.5	0	0	0	110.9	F152 T353 N357 D358 P1038 E1039 A1040 P1041	F152-Y355 AromaticContact CD1-CD1 4Å; F152-Y355 HydrophobicContact CD1-CD1 4Å; F152-Y355 HydrophobicContact CD1-CE1 4.11Å; F152-Y355 AromaticContact CE1-CD1 3.76Å; F152-Y355 HydrophobicContact CE1-CD1 3.76Å; F152-Y355 HydrophobicContact CE1-CD2 4.5Å; F152-Y355 AromaticContact CE1-CE1 3.52Å; F152-Y355 HydrophobicContact CE1-CE1 3.52Å; F152-Y355 HydrophobicContact CE1-CE2 4.28Å; F152-Y355 HydrophobicContact CE1-CG 4.25Å; F152-Y355 AromaticContact CE1-CZ 3.79Å; T353-Y355 VanDerWaalsContact C-N 3.26Å; T353-Y355 WeakPolarHBondContact OG1-CD2 3.44Å; T353-Y355 PolarHBondContact OG1-N 3.25Å; Y355-N357 WeakPolarHBondContact CB-OD1 3.41Å; Y355-N357 PolarHBondContact O-N 2.9Å; Y355-D358 PolarHBondContact O-N 3.33Å; Y355-P1038 HydrophobicContact CE2-CB 4.38Å; Y355-P1038 WeakPolarHBondContact CE2-O 3.38Å; Y355-P1038 PolarHBondContact OH-O 2.92Å; Y355-E1039 VanDerWaalsContact CE2-O 3.27Å; Y355-E1039 WeakPolarHBondContact CE2-O 3.17Å; Y355-A1040 HydrophobicContact CE1-CB 3.8Å; Y355-A1040 VanDerWaalsContact CZ-CA 3.49Å; Y355-A1040 PolarHBondContact OH-N 3.31Å; Y355-P1041 HydrophobicContact CD2-CG 4.41Å; Y355-P1041 HydrophobicContact CG-CG 4.1Å
356	S	89.8	Confident	94.4	Very high	65 Å²	65	28.9 Å²	28.9	46%	0.455	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17	-178.5	55.8	0	0	0	0	114.3	H247 P354 Q360	H247-S356 WeakPolarHBondContact CA-O 3.31Å; H247-S356 WeakPolarHBondContact CB-O 3.36Å; P354-S356 PolarHBondContact O-N 3.46Å; S356-Q360 PolarHBondContact O-NE2 2.9Å
357	N	89.2	Confident	94.4	Very high	25 Å²	25	27.4 Å²	27.4	13%	0.134	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.5	-176.3	69.9	-26.2	0	0	0	114.2	P205 M206 Y355	P205-N357 HydrophobicContact CB-CB 3.97Å; P205-N357 WeakPolarHBondContact O-CB 3.15Å; M206-N357 HydrophobicContact SD-CB 4.3Å; Y355-N357 WeakPolarHBondContact CB-OD1 3.41Å; Y355-N357 PolarHBondContact O-N 2.9Å
358	D	90.1	Very high	94.4	Very high	38 Å²	38	27.4 Å²	27.4	20%	0.203	14%	0.142	C	C	.	.	S	Bend	trans	-100.3	169.1	170.8	-152.5	-7.2	0	0	0	111.3	H247 T353 Y355 Q360 P1041	H247-D358 VanDerWaalsContact CB-O 3.22Å; H247-D358 WeakPolarHBondContact CB-O 2.94Å; T353-D358 HydrophobicContact CG2-CB 4.18Å; Y355-D358 PolarHBondContact O-N 3.33Å; D358-Q360 PolarHBondContact O-N 2.93Å; D358-P1041 HydrophobicContact CB-CB 4.11Å; D358-P1041 HydrophobicContact CB-CG 3.54Å
359	F	92	Very high	94.3	Very high	58 Å²	58	26.1 Å²	26.1	25%	0.254	14%	0.135	S	C	.	.			trans	-58.4	118.3	161.3	-66.7	-77.7	0	0	0	108.9	H247 T303 R304 T353	H247-F359 AromaticContact CE1-CD1 3.78Å; H247-F359 AromaticContact CE1-CE1 3.54Å; H247-F359 AromaticContact CE1-CZ 3.72Å; H247-F359 AromaticContact NE2-CD1 3.92Å; H247-F359 AromaticContact NE2-CE1 3.6Å; T303-F359 VanDerWaalsContact C-CD1 3.43Å; T303-F359 WeakPolarHBondContact O-CD1 3.31Å; T303-F359 WeakPolarHBondContact O-CE1 3.49Å; R304-F359 HydrophobicContact CB-CB 4.38Å; R304-F359 HydrophobicContact CB-CD1 4.38Å; R304-F359 HydrophobicContact CB-CD2 4.32Å; R304-F359 HydrophobicContact CB-CG 4.11Å; R304-F359 HydrophobicContact CG-CD2 4.3Å; R304-F359 HydrophobicContact CG-CE2 4.42Å; T353-F359 WeakPolarHBondContact CG2-O 3.49Å
360	Q	93.3	Very high	94	Very high	12 Å²	12	30 Å²	30	6%	0.056	15%	0.152	C	C	.	.			trans	-79.9	-23.1	-169.9	-61.3	100.9	-9.5	0	0	113.6	T302 C351 E352 S356 D358	T302-Q360 PolarHBondContact O-N 2.74Å; T302-Q360 VanDerWaalsContact O-N 3.1Å; T302-Q360 PolarHBondContact OG1-OE1 2.91Å; C351-Q360 WeakPolarHBondContact CA-O 3.44Å; C351-Q360 HydrophobicContact CB-CB 4.03Å; C351-Q360 WeakPolarHBondContact CB-O 3.28Å; E352-Q360 PolarHBondContact N-O 2.92Å; S356-Q360 PolarHBondContact O-NE2 2.9Å; D358-Q360 PolarHBondContact O-N 2.93Å
361	E	94.3	Very high	93.7	Very high	50 Å²	50	34.9 Å²	34.9	23%	0.234	17%	0.173	C	C	.	.			trans	49.3	67.6	179.5	-60.7	-66.4	176.7	0	0	112.1	T302 T303 R304 E352 Y363	T302-E361 PolarHBondContact O-N 3.27Å; T303-E361 WeakPolarHBondContact CB-OE2 3.31Å; R304-E361 WeakPolarHBondContact CB-OE1 3.33Å; R304-E361 PolarHBondContact N-OE1 2.88Å; E352-E361 HydrophobicContact CB-CB 4.19Å; E352-E361 HydrophobicContact CG-CB 3.94Å; E352-E361 PolarHBondContact N-O 3.44Å; E361-Y363 PolarHBondContact O-N 3.24Å
362	P	96.2	Very high	93.5	Very high	10 Å²	10	36 Å²	36	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126.4	-179	30.2	-37.2	0	0	0	111.1	K301 T303 F309 T349 L350 L378	K301-P362 HydrophobicContact CB-CB 4.02Å; K301-P362 HydrophobicContact CB-CG 3.78Å; K301-P362 HydrophobicContact CG-CB 4.44Å; T303-P362 HydrophobicContact CG2-CG 4.45Å; F309-P362 HydrophobicContact CB-CG 4.26Å; F309-P362 HydrophobicContact CD2-CG 3.45Å; F309-P362 VanDerWaalsContact CD2-CG 3.45Å; F309-P362 HydrophobicContact CE2-CG 3.98Å; F309-P362 HydrophobicContact CG-CG 3.97Å; T349-P362 HydrophobicContact CG2-CB 3.42Å; T349-P362 VanDerWaalsContact CG2-CB 3.42Å; L350-P362 CarbonylContact O-C 3.5Å; L350-P362 WeakPolarHBondContact O-CA 3.25Å; P362-L378 HydrophobicContact CB-CD1 3.9Å
363	Y	96	Very high	93.6	Very high	45 Å²	45	29.5 Å²	29.5	18%	0.176	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-18	-177.3	64.9	-100.2	0	0	0	114	L350 C351 E352 E361 L378 P434	L350-Y363 HydrophobicContact CB-CD2 4.29Å; L350-Y363 HydrophobicContact CB-CE1 4.01Å; L350-Y363 HydrophobicContact CB-CE2 3.66Å; L350-Y363 HydrophobicContact CD1-CE2 3.99Å; L350-Y363 HydrophobicContact CG-CE2 4.48Å; L350-Y363 PolarHBondContact O-N 3.41Å; C351-Y363 VanDerWaalsContact C-CE1 3.49Å; C351-Y363 WeakPolarHBondContact O-CE1 3.35Å; E352-Y363 HydrophobicContact CG-CD1 4.05Å; E361-Y363 PolarHBondContact O-N 3.24Å; Y363-L378 PolarHBondContact O-N 2.91Å; Y363-P434 HydrophobicContact CE2-CB 3.86Å
364	A	97.8	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162.7	176.3	0	0	0	0	0	112.2	T349 L350 V375 I376 F386	T349-A364 WeakPolarHBondContact CG2-O 3.46Å; L350-A364 HydrophobicContact CB-CB 4.23Å; L350-A364 HydrophobicContact CD1-CB 4.09Å; L350-A364 HydrophobicContact CG-CB 4.23Å; L350-A364 PolarHBondContact N-O 2.98Å; A364-V375 HydrophobicContact CB-CG1 4.29Å; A364-I376 CarbonylContact C-O 3.45Å; A364-I376 WeakPolarHBondContact CA-O 3.37Å; A364-I376 WeakPolarHBondContact CB-O 3.48Å; A364-F386 HydrophobicContact CB-CE2 3.91Å; A364-F386 HydrophobicContact CB-CZ 4.38Å
365	V	98.2	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	168.2	-172.5	0	0	0	0	109.3	I311 L327 F347 L348 T349 V367 V375 I376 L378	I311-V365 HydrophobicContact CD1-CG2 3.8Å; I311-V365 HydrophobicContact CG2-CG2 4.49Å; L327-V365 HydrophobicContact CD2-CG1 3.98Å; F347-V365 HydrophobicContact CB-CG1 4.24Å; F347-V365 HydrophobicContact CD2-CG1 4Å; L348-V365 WeakPolarHBondContact O-CA 3.18Å; T349-V365 HydrophobicContact CG2-CG2 4.41Å; V365-V367 HydrophobicContact CG1-CG2 3.97Å; V365-V375 CarbonylContact O-C 3.6Å; V365-V375 WeakPolarHBondContact O-CA 3.42Å; V365-I376 HydrophobicContact CB-CB 4.5Å; V365-I376 PolarHBondContact N-O 2.89Å; V365-I376 PolarHBondContact O-N 3.36Å; V365-L378 HydrophobicContact CG2-CD1 3.6Å; V365-L378 HydrophobicContact CG2-CD2 3.84Å; V365-L378 HydrophobicContact CG2-CG 3.83Å
366	V	98.2	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	169.2	-176.4	0	0	0	0	107.9	M63 L72 F347 L348 L350 L373 V375	M63-V366 HydrophobicContact SD-CG1 4.14Å; L72-V366 HydrophobicContact CD1-CG1 4.32Å; L72-V366 HydrophobicContact CD2-CG1 4.3Å; F347-V366 CarbonylContact C-O 3.58Å; F347-V366 WeakPolarHBondContact CA-O 3.4Å; L348-V366 PolarHBondContact N-O 3.49Å; L348-V366 PolarHBondContact O-N 3.33Å; L350-V366 HydrophobicContact CD1-CG2 3.82Å; L350-V366 HydrophobicContact CD2-CG2 3.78Å; L350-V366 HydrophobicContact CG-CG2 3.89Å; V366-L373 HydrophobicContact CG1-CD1 3.7Å; V366-L373 HydrophobicContact CG1-CG 4.42Å; V366-V375 HydrophobicContact CG1-CG2 4.28Å; V366-V375 HydrophobicContact CG2-CG1 4.26Å; V366-V375 HydrophobicContact CG2-CG2 4.13Å
367	V	98.1	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.1	-179.1	-168.3	0	0	0	0	108.6	L327 I344 F347 V365 L369 V374 I376	L327-V367 HydrophobicContact CD2-CG2 3.89Å; I344-V367 HydrophobicContact CD1-CG1 4.36Å; I344-V367 HydrophobicContact CG1-CG1 4.1Å; I344-V367 HydrophobicContact CG2-CG1 4.1Å; F347-V367 HydrophobicContact CB-CG1 4.47Å; F347-V367 HydrophobicContact CB-CG2 4.39Å; V365-V367 HydrophobicContact CG1-CG2 3.97Å; V367-L369 HydrophobicContact CG1-CD2 3.63Å; V367-L369 HydrophobicContact CG1-CG 4.43Å; V367-V374 HydrophobicContact CB-CB 4.44Å; V367-V374 PolarHBondContact N-O 3.44Å; V367-V374 PolarHBondContact O-N 2.98Å; V367-I376 HydrophobicContact CG2-CD1 3.9Å; V367-I376 HydrophobicContact CG2-CG1 4.49Å
368	L	97.8	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.2	175.1	-177.8	62.9	0	0	0	108.6	F56 P60 M63 I74 V345 D346 L373	F56-L368 HydrophobicContact CE2-CD1 4.14Å; F56-L368 HydrophobicContact CZ-CD1 3.82Å; P60-L368 HydrophobicContact CB-CD1 3.89Å; P60-L368 HydrophobicContact CB-CD2 3.94Å; P60-L368 HydrophobicContact CB-CG 4.03Å; P60-L368 HydrophobicContact CG-CD1 4.18Å; P60-L368 HydrophobicContact CG-CG 4.33Å; M63-L368 HydrophobicContact CB-CD2 4.05Å; M63-L368 HydrophobicContact CE-CB 3.5Å; M63-L368 HydrophobicContact CG-CB 4.39Å; M63-L368 HydrophobicContact CG-CD2 4.05Å; M63-L368 HydrophobicContact SD-CB 3.83Å; M63-L368 HydrophobicContact SD-CD2 4.43Å; I74-L368 HydrophobicContact CD1-CD1 3.81Å; I74-L368 HydrophobicContact CG1-CD1 4.35Å; I74-L368 HydrophobicContact CG2-CD1 4.12Å; I74-L368 HydrophobicContact CG2-CD2 4.13Å; V345-L368 HydrophobicContact CB-CD2 4.37Å; V345-L368 HydrophobicContact CB-CG 4.19Å; V345-L368 HydrophobicContact CG1-CD2 4.13Å; V345-L368 HydrophobicContact CG1-CG 4.48Å; V345-L368 PolarHBondContact N-O 3.02Å; D346-L368 PolarHBondContact N-O 2.99Å; D346-L368 PolarHBondContact O-N 2.87Å; L368-L373 HydrophobicContact CD1-CD1 4.19Å
369	L	95.6	Very high	95.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	167	175.6	-50.1	-179.3	0	0	0	110.1	F56 P60 M340 P343 I344 V367 K371 D372 V374	F56-L369 WeakPolarHBondContact CZ-O 3.45Å; P60-L369 WeakPolarHBondContact CG-O 3.36Å; M340-L369 HydrophobicContact CB-CD1 4.16Å; M340-L369 HydrophobicContact CB-CD2 4.02Å; M340-L369 HydrophobicContact CG-CD2 4.04Å; M340-L369 HydrophobicContact SD-CD2 4.44Å; P343-L369 CarbonylContact O-C 3.53Å; P343-L369 VanDerWaalsContact O-CA 3.28Å; P343-L369 WeakPolarHBondContact O-CA 3.36Å; I344-L369 HydrophobicContact CB-CD2 4.29Å; I344-L369 HydrophobicContact CG1-CD2 3.67Å; V367-L369 HydrophobicContact CG1-CD2 3.63Å; V367-L369 HydrophobicContact CG1-CG 4.43Å; L369-K371 PolarHBondContact O-N 3.18Å; L369-K371 VanDerWaalsContact O-N 3.11Å; L369-D372 WeakPolarHBondContact CA-O 3Å; L369-D372 HydrophobicContact CB-CB 4.46Å; L369-D372 WeakPolarHBondContact CB-O 3.39Å; L369-D372 HydrophobicContact CD1-CB 4.3Å; L369-D372 PolarHBondContact N-O 2.76Å; L369-V374 HydrophobicContact CD1-CG2 3.85Å
370	E	92.7	Very high	95.1	Very high	97 Å²	97	24.8 Å²	24.8	45%	0.453	13%	0.127	S	C	.	.	S	Bend	trans	-58	-26.8	178.3	-76.3	-175.8	170.4	0	0	114.2	P60 P343 V345	P60-E370 WeakPolarHBondContact CD-O 3.36Å; P343-E370 HydrophobicContact CB-CG 3.99Å; P343-E370 HydrophobicContact CG-CG 4.29Å; P343-E370 PolarHBondContact O-N 3.39Å; V345-E370 HydrophobicContact CG2-CG 3.92Å
371	K	89.6	Confident	94.7	Very high	104 Å²	104	32.3 Å²	32.3	45%	0.452	17%	0.168	S	C	.	.	S	Bend	trans	-135.7	3.7	-173.8	-56.9	-173.8	-173.1	174.6	0	114.4	F56 Y342 L369	F56-K371 VanDerWaalsContact CE1-C 3.42Å; Y342-K371 HydrophobicContact CD1-CB 4.16Å; Y342-K371 HydrophobicContact CD1-CD 3.91Å; Y342-K371 HydrophobicContact CD1-CG 4.2Å; Y342-K371 HydrophobicContact CD2-CB 3.97Å; Y342-K371 HydrophobicContact CE1-CB 4.22Å; Y342-K371 HydrophobicContact CE1-CD 3.68Å; Y342-K371 HydrophobicContact CE1-CG 4.35Å; Y342-K371 HydrophobicContact CE2-CB 4.01Å; Y342-K371 HydrophobicContact CG-CB 4.04Å; Y342-K371 HydrophobicContact CG-CG 4.46Å; L369-K371 PolarHBondContact O-N 3.18Å; L369-K371 VanDerWaalsContact O-N 3.11Å
372	D	91.3	Very high	94.5	Very high	39 Å²	39	33.2 Å²	33.2	21%	0.209	19%	0.191	C	C	.	.			trans	-155.1	163.4	-175.5	-161.4	12.7	0	0	0	112.6	F56 Y342 L369	F56-D372 VanDerWaalsContact CE2-C 3.46Å; F56-D372 WeakPolarHBondContact CZ-O 3.39Å; Y342-D372 HydrophobicContact CD2-CB 4.15Å; Y342-D372 HydrophobicContact CE2-CB 4.42Å; L369-D372 WeakPolarHBondContact CA-O 3Å; L369-D372 HydrophobicContact CB-CB 4.46Å; L369-D372 WeakPolarHBondContact CB-O 3.39Å; L369-D372 HydrophobicContact CD1-CB 4.3Å; L369-D372 PolarHBondContact N-O 2.76Å
373	L	93.8	Very high	94.4	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.7	173.8	-174.1	72.1	0	0	0	109.4	F56 L72 I74 V366 L368 N388 L392	F56-L373 HydrophobicContact CE2-CB 4.03Å; L72-L373 HydrophobicContact CD2-CD1 4.21Å; L72-L373 HydrophobicContact CD2-CD2 3.81Å; I74-L373 HydrophobicContact CD1-CD1 4.35Å; V366-L373 HydrophobicContact CG1-CD1 3.7Å; V366-L373 HydrophobicContact CG1-CG 4.42Å; L368-L373 HydrophobicContact CD1-CD1 4.19Å; L373-N388 PolarHBondContact O-ND2 3.05Å; L373-L392 HydrophobicContact CB-CD1 3.77Å; L373-L392 HydrophobicContact CD2-CD1 4.04Å
374	V	94.8	Very high	94.4	Very high	23 Å²	23	33.2 Å²	33.2	14%	0.139	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.7	-179.8	-177.9	0	0	0	0	109.4	V367 L369 I376 I385	V367-V374 HydrophobicContact CB-CB 4.44Å; V367-V374 PolarHBondContact N-O 3.44Å; V367-V374 PolarHBondContact O-N 2.98Å; L369-V374 HydrophobicContact CD1-CG2 3.85Å; V374-I376 HydrophobicContact CG1-CG1 3.97Å; V374-I385 HydrophobicContact CG1-CB 4.44Å; V374-I385 HydrophobicContact CG1-CG2 3.69Å
375	V	96.9	Very high	94.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.1	172.5	-172.8	0	0	0	0	108.7	A364 V365 V366 I385 F386 W433 P434	A364-V375 HydrophobicContact CB-CG1 4.29Å; V365-V375 CarbonylContact O-C 3.6Å; V365-V375 WeakPolarHBondContact O-CA 3.42Å; V366-V375 HydrophobicContact CG1-CG2 4.28Å; V366-V375 HydrophobicContact CG2-CG1 4.26Å; V366-V375 HydrophobicContact CG2-CG2 4.13Å; V375-I385 CarbonylContact O-C 3.57Å; V375-I385 VanDerWaalsContact O-CA 3.24Å; V375-I385 WeakPolarHBondContact O-CA 3.24Å; V375-F386 HydrophobicContact CB-CB 4.28Å; V375-F386 HydrophobicContact CB-CD2 4.06Å; V375-F386 HydrophobicContact CG1-CD2 3.58Å; V375-F386 HydrophobicContact CG1-CE2 4.01Å; V375-F386 HydrophobicContact CG1-CG 4.28Å; V375-F386 PolarHBondContact O-N 2.82Å; V375-W433 HydrophobicContact CB-CH2 3.97Å; V375-W433 HydrophobicContact CB-CZ3 3.8Å; V375-W433 HydrophobicContact CG2-CH2 3.25Å; V375-W433 HydrophobicContact CG2-CZ2 3.95Å; V375-W433 HydrophobicContact CG2-CZ3 3.64Å; V375-P434 HydrophobicContact CG1-CG 3.8Å
376	I	97.6	Very high	94	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.5	-170.5	-53.9	176.4	0	0	0	108.6	L327 L338 M340 A364 V365 V367 V374 I385	L327-I376 HydrophobicContact CD2-CD1 4.11Å; L338-I376 HydrophobicContact CD1-CD1 3.69Å; L338-I376 HydrophobicContact CD1-CG2 4.07Å; M340-I376 HydrophobicContact CE-CD1 3.93Å; A364-I376 CarbonylContact C-O 3.45Å; A364-I376 WeakPolarHBondContact CA-O 3.37Å; A364-I376 WeakPolarHBondContact CB-O 3.48Å; V365-I376 HydrophobicContact CB-CB 4.5Å; V365-I376 PolarHBondContact N-O 2.89Å; V365-I376 PolarHBondContact O-N 3.36Å; V367-I376 HydrophobicContact CG2-CD1 3.9Å; V367-I376 HydrophobicContact CG2-CG1 4.49Å; V374-I376 HydrophobicContact CG1-CG1 3.97Å; I376-I385 HydrophobicContact CG1-CG2 4.28Å
377	D	97	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.4	177.1	-171.1	-11.4	0	0	0	110.5	A379 Q380 Y383 P384 F386 S429	D377-A379 WeakPolarHBondContact OD1-CA 3.13Å; D377-A379 WeakPolarHBondContact OD1-CB 3.08Å; D377-A379 PolarHBondContact OD1-N 2.78Å; D377-Q380 PolarHBondContact OD2-NE2 3.49Å; D377-Y383 WeakPolarHBondContact O-CA 3.38Å; D377-P384 HydrophobicContact CB-CG 4.18Å; D377-P384 WeakPolarHBondContact CB-O 3.3Å; D377-P384 PolarHBondContact N-O 2.79Å; D377-F386 VanDerWaalsContact CA-CE2 3.49Å; D377-F386 HydrophobicContact CB-CD2 4.22Å; D377-F386 HydrophobicContact CB-CE2 3.56Å; D377-F386 HydrophobicContact CB-CZ 3.92Å; D377-S429 PolarHBondContact OD2-OG 3.27Å
378	L	95.8	Very high	93.1	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	25%	0.249	C	C	.	.	S	Bend	trans	-85.6	-15.3	177.3	-67.1	179.6	0	0	0	113.1	F309 I311 V329 T349 P362 Y363 V365 Y383	F309-L378 HydrophobicContact CE1-CD2 4.35Å; I311-L378 HydrophobicContact CD1-CD1 3.95Å; V329-L378 HydrophobicContact CG1-CD2 4.35Å; V329-L378 HydrophobicContact CG2-CD2 4.49Å; T349-L378 HydrophobicContact CG2-CD1 3.93Å; P362-L378 HydrophobicContact CB-CD1 3.9Å; Y363-L378 PolarHBondContact O-N 2.91Å; V365-L378 HydrophobicContact CG2-CD1 3.6Å; V365-L378 HydrophobicContact CG2-CD2 3.84Å; V365-L378 HydrophobicContact CG2-CG 3.83Å; L378-Y383 HydrophobicContact CD2-CD1 3.9Å; L378-Y383 HydrophobicContact CD2-CE1 3.88Å
379	A	91.7	Very high	92.5	Very high	59 Å²	59	46.9 Å²	46.9	49%	0.488	26%	0.262	S	S	.	.	S	Bend	trans	-85.4	-12.1	-176.9	0	0	0	0	0	113.3	D377	D377-A379 WeakPolarHBondContact OD1-CA 3.13Å; D377-A379 WeakPolarHBondContact OD1-CB 3.08Å; D377-A379 PolarHBondContact OD1-N 2.78Å
380	Q	90.3	Very high	91.9	Very high	58 Å²	58	47.3 Å²	47.3	27%	0.271	26%	0.264	S	S	.	.	S	Bend	trans	-110	135.2	178	-72.8	-180	55	0	0	111.2	D377 G382 Y383 P384 S429	D377-Q380 PolarHBondContact OD2-NE2 3.49Å; Q380-G382 PolarHBondContact O-N 3.44Å; Q380-Y383 PolarHBondContact O-N 3.47Å; Q380-Y383 VanDerWaalsContact O-N 3.15Å; Q380-P384 HydrophobicContact CB-CG 3.82Å; Q380-S429 PolarHBondContact NE2-OG 3.33Å
381	N	86	Confident	91.1	Very high	170 Å²	170	43.7 Å²	43.7	91%	0.909	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138.7	173.8	-74.2	-8.9	0	0	0	110.8	Y383	N381-Y383 VanDerWaalsContact C-N 3.29Å
382	G	89.3	Confident	90.5	Very high	70 Å²	70	38.9 Å²	38.9	72%	0.722	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-1.7	-177.4	0	0	0	0	0	114.4	Q380	Q380-G382 PolarHBondContact O-N 3.44Å
383	Y	94.8	Very high	89.6	Confident	31 Å²	31	39.9 Å²	39.9	12%	0.122	24%	0.236	C	C	.	.			trans	52.9	56.1	173.2	-53.9	-60.5	0	0	0	113.8	F309 V329 A336 L338 D377 L378 Q380 N381	F309-Y383 HydrophobicContact CE1-CE1 4.42Å; V329-Y383 HydrophobicContact CB-CE2 4.33Å; V329-Y383 HydrophobicContact CG1-CE1 4.2Å; V329-Y383 HydrophobicContact CG1-CE2 4.32Å; A336-Y383 HydrophobicContact CB-CD2 3.8Å; A336-Y383 HydrophobicContact CB-CE2 3.46Å; A336-Y383 VanDerWaalsContact CB-CE2 3.46Å; L338-Y383 HydrophobicContact CD2-CD2 4.31Å; D377-Y383 WeakPolarHBondContact O-CA 3.38Å; L378-Y383 HydrophobicContact CD2-CD1 3.9Å; L378-Y383 HydrophobicContact CD2-CE1 3.88Å; Q380-Y383 PolarHBondContact O-N 3.47Å; Q380-Y383 VanDerWaalsContact O-N 3.15Å; N381-Y383 VanDerWaalsContact C-N 3.29Å
384	P	95.1	Very high	88.8	Confident	23 Å²	23	39.7 Å²	39.7	15%	0.149	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-64	149	178.8	29.8	-34.5	0	0	0	110.9	D377 Q380	D377-P384 HydrophobicContact CB-CG 4.18Å; D377-P384 WeakPolarHBondContact CB-O 3.3Å; D377-P384 PolarHBondContact N-O 2.79Å; Q380-P384 HydrophobicContact CB-CG 3.82Å
385	I	94.3	Very high	87.3	Confident	66 Å²	66	40 Å²	40	34%	0.338	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-81.7	147.6	176.3	59.1	169.3	0	0	0	111.2	V374 V375 I376 Y428 S429	V374-I385 HydrophobicContact CG1-CB 4.44Å; V374-I385 HydrophobicContact CG1-CG2 3.69Å; V375-I385 CarbonylContact O-C 3.57Å; V375-I385 VanDerWaalsContact O-CA 3.24Å; V375-I385 WeakPolarHBondContact O-CA 3.24Å; I376-I385 HydrophobicContact CG1-CG2 4.28Å; I385-Y428 HydrophobicContact CD1-CD1 4.12Å; I385-Y428 HydrophobicContact CD1-CE1 3.52Å; I385-Y428 HydrophobicContact CG1-CD1 3.74Å; I385-Y428 HydrophobicContact CG1-CE1 3.7Å; I385-Y428 CarbonylContact O-C 3.57Å; I385-Y428 VanDerWaalsContact O-CA 3.27Å; I385-Y428 WeakPolarHBondContact O-CA 3.22Å; I385-Y428 WeakPolarHBondContact O-CD1 3.48Å; I385-S429 PolarHBondContact O-N 3.35Å
386	F	93.5	Very high	86.2	Confident	11 Å²	11	44.5 Å²	44.5	5%	0.048	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-74.2	146.7	168.5	-67.5	-101.6	0	0	0	110.4	A364 V375 D377 N388 K431 E432 W433	A364-F386 HydrophobicContact CB-CE2 3.91Å; A364-F386 HydrophobicContact CB-CZ 4.38Å; V375-F386 HydrophobicContact CB-CB 4.28Å; V375-F386 HydrophobicContact CB-CD2 4.06Å; V375-F386 HydrophobicContact CG1-CD2 3.58Å; V375-F386 HydrophobicContact CG1-CE2 4.01Å; V375-F386 HydrophobicContact CG1-CG 4.28Å; V375-F386 PolarHBondContact O-N 2.82Å; D377-F386 VanDerWaalsContact CA-CE2 3.49Å; D377-F386 HydrophobicContact CB-CD2 4.22Å; D377-F386 HydrophobicContact CB-CE2 3.56Å; D377-F386 HydrophobicContact CB-CZ 3.92Å; F386-N388 PolarHBondContact O-N 2.73Å; F386-K431 HydrophobicContact CE1-CB 3.58Å; F386-K431 HydrophobicContact CZ-CB 4.17Å; F386-E432 VanDerWaalsContact CE1-O 3.22Å; F386-E432 WeakPolarHBondContact CE1-O 3.43Å; F386-W433 HydrophobicContact CB-CE3 3.59Å; F386-W433 HydrophobicContact CB-CZ3 3.76Å; F386-W433 HydrophobicContact CG-CE3 4.43Å
387	E	89.3	Confident	85.6	Confident	124 Å²	124	45 Å²	45	58%	0.579	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-72.2	120.5	172.1	-173.2	169.3	-154.1	0	0	108.5	P389 Y428 W433	E387-P389 VanDerWaalsContact O-CD 3.27Å; E387-P389 WeakPolarHBondContact O-CD 3.36Å; E387-Y428 VanDerWaalsContact CA-CD1 3.47Å; E387-Y428 HydrophobicContact CB-CD1 3.78Å; E387-Y428 HydrophobicContact CB-CE1 4.21Å; E387-Y428 HydrophobicContact CB-CG 4.11Å; E387-Y428 HydrophobicContact CG-CD1 4.49Å; E387-W433 VanDerWaalsContact O-CE3 3.3Å
388	N	87.6	Confident	85.3	Confident	42 Å²	42	49 Å²	49	23%	0.225	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72.9	116.1	-179.8	-170	-22.3	0	0	0	109.2	L373 F386 Y390 L392 W433	L373-N388 PolarHBondContact O-ND2 3.05Å; F386-N388 PolarHBondContact O-N 2.73Å; N388-Y390 PolarHBondContact O-N 3.17Å; N388-Y390 WeakPolarHBondContact OD1-CB 3.26Å; N388-Y390 WeakPolarHBondContact OD1-CD2 3.45Å; N388-Y390 PolarHBondContact OD1-N 2.99Å; N388-Y390 PolarHBondContact OD1-O 2.8Å; N388-L392 VanDerWaalsContact ND2-CD1 3.28Å; N388-L392 WeakPolarHBondContact ND2-CD1 3.39Å; N388-W433 HydrophobicContact CB-CH2 4.14Å; N388-W433 HydrophobicContact CB-CZ3 4.2Å
389	P	85.1	Confident	85.1	Confident	44 Å²	44	49.6 Å²	49.6	29%	0.286	29%	0.29	S	S	.	.			trans	-79.4	-10.1	-178	34.7	-37.3	0	0	0	112.6	P87 E387 W433	P87-P389 HydrophobicContact CB-CB 4.29Å; P87-P389 HydrophobicContact CG-CB 3.54Å; P87-P389 HydrophobicContact CG-CG 3.64Å; E387-P389 VanDerWaalsContact O-CD 3.27Å; E387-P389 WeakPolarHBondContact O-CD 3.36Å; P389-W433 HydrophobicContact CG-CB 4.32Å; P389-W433 HydrophobicContact CG-CD2 3.92Å; P389-W433 HydrophobicContact CG-CG 3.74Å
390	Y	83.4	Confident	85.1	Confident	12 Å²	12	48.4 Å²	48.4	5%	0.047	28%	0.276	C	S	.	.	S	Bend	trans	-88.5	138.8	177.8	-62.2	-77.7	0	0	0	110.6	F84 G85 R86 N388 L392 W433	F84-Y390 HydrophobicContact CB-CE2 4.38Å; F84-Y390 HydrophobicContact CD1-CD1 4.14Å; F84-Y390 HydrophobicContact CD1-CE1 4.04Å; F84-Y390 HydrophobicContact CD1-CE2 4.48Å; F84-Y390 HydrophobicContact CD1-CG 4.4Å; G85-Y390 PolarHBondContact N-OH 3.09Å; G85-Y390 PolarHBondContact O-OH 3.47Å; R86-Y390 PolarHBondContact O-OH 3.29Å; R86-Y390 VanDerWaalsContact O-OH 3.09Å; N388-Y390 PolarHBondContact O-N 3.17Å; N388-Y390 WeakPolarHBondContact OD1-CB 3.26Å; N388-Y390 WeakPolarHBondContact OD1-CD2 3.45Å; N388-Y390 PolarHBondContact OD1-N 2.99Å; N388-Y390 PolarHBondContact OD1-O 2.8Å; Y390-L392 PolarHBondContact O-N 3.41Å; Y390-W433 HydrophobicContact CD2-CZ2 4.35Å; Y390-W433 HydrophobicContact CE2-CZ2 4.41Å; Y390-W433 AromaticContact CE2-NE1 3.7Å
391	P	75.1	Confident	85.2	Confident	20 Å²	20	46.3 Å²	46.3	13%	0.13	27%	0.268	C	S	.	.			trans	-75.6	50.2	174.4	39.1	-44.4	0	0	0	111.3	T393 W463 L470	P391-T393 PolarHBondContact O-N 2.8Å; P391-W463 HydrophobicContact CB-CZ3 3.94Å; P391-L470 WeakPolarHBondContact CD-O 3.27Å; P391-L470 HydrophobicContact CG-CB 3.89Å; P391-L470 HydrophobicContact CG-CD2 4.45Å; P391-L470 HydrophobicContact CG-CG 4.46Å; P391-L470 WeakPolarHBondContact CG-O 3.47Å
392	L	79.1	Confident	85.7	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	23%	0.226	C	C	.	.			trans	-63.9	-31.3	-177	-59.9	-176.9	0	0	0	111.2	F56 F84 L373 N388 Y390 I394	F56-L392 HydrophobicContact CB-CB 4.04Å; F56-L392 WeakPolarHBondContact CB-O 3.41Å; F56-L392 HydrophobicContact CD2-CB 4.2Å; F56-L392 HydrophobicContact CD2-CD1 4.06Å; F56-L392 PolarHBondContact N-O 3.32Å; F56-L392 VanDerWaalsContact N-O 3.13Å; F84-L392 HydrophobicContact CE1-CD2 3.9Å; F84-L392 HydrophobicContact CZ-CD2 4.14Å; L373-L392 HydrophobicContact CB-CD1 3.77Å; L373-L392 HydrophobicContact CD2-CD1 4.04Å; N388-L392 VanDerWaalsContact ND2-CD1 3.28Å; N388-L392 WeakPolarHBondContact ND2-CD1 3.39Å; Y390-L392 PolarHBondContact O-N 3.41Å; L392-I394 VanDerWaalsContact C-N 3.29Å; L392-I394 PolarHBondContact O-N 3.2Å
393	T	72.1	Confident	85.9	Confident	60 Å²	60	37.2 Å²	37.2	37%	0.368	20%	0.202	S	C	.	.			trans	-86.4	62.1	179.7	-31	0	0	0	0	112.2	P391 H395 E396 K461	P391-T393 PolarHBondContact O-N 2.8Å; T393-H395 PolarHBondContact O-N 3.4Å; T393-E396 HydrophobicContact CG2-CG 3.74Å; T393-K461 PolarHBondContact O-NZ 2.84Å
394	I	75.4	Confident	86	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-58	-36.5	168.3	-60.2	-175.8	0	0	0	109.6	H54 L392 V399 H455 W463 L470 I1011	H54-I394 HydrophobicContact CB-CD1 4.08Å; L392-I394 VanDerWaalsContact C-N 3.29Å; L392-I394 PolarHBondContact O-N 3.2Å; I394-V399 HydrophobicContact CG2-CG2 4.33Å; I394-H455 PolarHBondContact O-CE1 2.88Å; I394-W463 HydrophobicContact CG1-CH2 4.44Å; I394-W463 HydrophobicContact CG2-CZ2 4.38Å; I394-L470 HydrophobicContact CD1-CD2 4.28Å; I394-I1011 HydrophobicContact CD1-CB 4.36Å; I394-I1011 HydrophobicContact CD1-CD1 3.9Å; I394-I1011 HydrophobicContact CD1-CG1 3.85Å; I394-I1011 HydrophobicContact CG2-CD1 4.08Å; I394-I1011 HydrophobicContact CG2-CG1 4.4Å
395	H	64.8	Low	86.1	Confident	30 Å²	30	37 Å²	37	14%	0.139	20%	0.199	C	C	.	.			trans	-121.4	94.5	-173.9	70	-57.3	0	0	0	111.2	T393 S397 T1009	T393-H395 PolarHBondContact O-N 3.4Å; H395-S397 WeakPolarHBondContact CB-O 3.15Å; H395-T1009 WeakPolarHBondContact CE1-CB 3.4Å; H395-T1009 WeakPolarHBondContact CE1-CG2 3.25Å; H395-T1009 WeakPolarHBondContact NE2-CG2 3.37Å
396	E	73	Confident	86	Confident	96 Å²	96	34.1 Å²	34.1	45%	0.449	19%	0.185	S	C	.	.	S	Bend	trans	-73.6	-23.5	155.1	-69.7	175.5	163	0	0	109.7	T393 K475	T393-E396 HydrophobicContact CG2-CG 3.74Å; E396-K475 IonicContact OE2-NZ 2.72Å; E396-K475 PolarHBondContact OE2-NZ 3.13Å
397	S	85.8	Confident	86	Confident	14 Å²	14	37.8 Å²	37.8	10%	0.098	21%	0.205	C	C	.	.	S	Bend	trans	-142.2	148.7	177.2	174	0	0	0	0	108.5	H395 V399 H455 A456 D457	H395-S397 WeakPolarHBondContact CB-O 3.15Å; S397-V399 PolarHBondContact O-N 3.13Å; S397-H455 PolarHBondContact O-ND1 2.87Å; S397-A456 PolarHBondContact OG-N 3.36Å; S397-D457 VanDerWaalsContact CB-CG 3.42Å; S397-D457 WeakPolarHBondContact OG-CB 3.48Å; S397-D457 PolarHBondContact OG-N 2.7Å
398	P	89.3	Confident	86.1	Confident	86 Å²	86	32.2 Å²	32.2	56%	0.558	18%	0.18	S	C	*	.			trans	-49.3	135.2	179.3	-28.8	35.6	0	0	0	112.8	H455 A456	P398-H455 CarbonylContact O-C 3.56Å; P398-H455 VanDerWaalsContact O-CA 3.27Å; P398-H455 WeakPolarHBondContact O-CA 3.42Å; P398-A456 HydrophobicContact CB-CB 4.31Å; P398-A456 PolarHBondContact O-N 2.96Å
399	V	92.1	Very high	86.4	Confident	22 Å²	22	32.1 Å²	32.1	13%	0.133	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.7	173.3	178.1	0	0	0	0	108.6	I394 S397 C402 T453 G454 L1005	I394-V399 HydrophobicContact CG2-CG2 4.33Å; S397-V399 PolarHBondContact O-N 3.13Å; V399-C402 WeakPolarHBondContact CG1-SG 3.31Å; V399-T453 HydrophobicContact CG1-CG2 4.42Å; V399-G454 WeakPolarHBondContact CA-O 3.36Å; V399-L1005 HydrophobicContact CB-CD2 3.67Å; V399-L1005 HydrophobicContact CG1-CD1 4.29Å; V399-L1005 HydrophobicContact CG1-CD2 4.05Å; V399-L1005 HydrophobicContact CG2-CD2 3.98Å
400	T	92.6	Very high	86.6	Confident	34 Å²	34	35.9 Å²	35.9	21%	0.209	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-31.7	-175.2	48.1	0	0	0	0	112.5	G454 A456 I504	T400-G454 PolarHBondContact N-O 2.81Å; T400-G454 PolarHBondContact OG1-O 3.23Å; T400-G454 VanDerWaalsContact OG1-O 3.13Å; T400-A456 HydrophobicContact CG2-CB 3.95Å; T400-I504 WeakPolarHBondContact CB-O 3.44Å; T400-I504 PolarHBondContact OG1-O 2.8Å
401	C	92.4	Very high	87	Confident	13 Å²	13	39.1 Å²	39.1	9%	0.088	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.8	174.9	58.6	0	0	0	0	111	G454 Q505	C401-G454 PolarHBondContact O-N 2.94Å; C401-Q505 WeakPolarHBondContact CB-O 3.42Å
402	C	94.8	Very high	87.9	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.4	177.5	-59.7	0	0	0	0	111.1	V399 I452 C995 M1003	V399-C402 WeakPolarHBondContact CG1-SG 3.31Å; C402-I452 CarbonylContact C-O 3.52Å; C402-I452 VanDerWaalsContact CA-O 3.29Å; C402-I452 WeakPolarHBondContact CA-O 3.39Å; C402-C995 PolarHBondContact O-SG 3.48Å; C402-C995 VanDerWaalsContact O-SG 3.39Å; C402-M1003 HydrophobicContact CB-CE 3.43Å; C402-M1003 VanDerWaalsContact CB-CE 3.43Å
403	E	95.4	Very high	88.6	Confident	44 Å²	44	38.9 Å²	38.9	21%	0.206	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.5	166.3	-68.7	-68.2	161.7	0	0	109.2	F405 I452 M507	E403-F405 HydrophobicContact CB-CD2 4.34Å; E403-F405 HydrophobicContact CB-CE2 3.43Å; E403-F405 VanDerWaalsContact CB-CE2 3.43Å; E403-F405 HydrophobicContact CB-CZ 3.98Å; E403-F405 HydrophobicContact CG-CE2 4.35Å; E403-F405 HydrophobicContact CG-CZ 4.48Å; E403-I452 HydrophobicContact CB-CB 4.4Å; E403-I452 PolarHBondContact N-O 2.66Å; E403-I452 PolarHBondContact O-N 3.19Å; E403-M507 HydrophobicContact CG-CB 4.47Å; E403-M507 HydrophobicContact CG-CE 4.29Å
404	Y	96.4	Very high	89.6	Confident	5 Å²	5	39.7 Å²	39.7	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122.3	-177.3	-177.8	-152.6	0	0	0	111.1	E449 I451 T997 Q1001 M1003 R1013	Y404-E449 HydrophobicContact CE2-CB 4.19Å; Y404-E449 WeakPolarHBondContact CE2-OE2 3.47Å; Y404-E449 PolarHBondContact OH-OE2 2.98Å; Y404-I451 HydrophobicContact CD2-CD1 4.36Å; Y404-I451 HydrophobicContact CD2-CG1 3.53Å; Y404-I451 HydrophobicContact CE2-CD1 4.4Å; Y404-I451 HydrophobicContact CE2-CG1 3.93Å; Y404-I451 HydrophobicContact CG-CG1 4.28Å; Y404-T997 HydrophobicContact CD1-CG2 3.46Å; Y404-T997 VanDerWaalsContact CD1-CG2 3.46Å; Y404-T997 HydrophobicContact CD2-CG2 4.34Å; Y404-T997 HydrophobicContact CE1-CG2 3.51Å; Y404-T997 HydrophobicContact CE2-CG2 4.36Å; Y404-T997 HydrophobicContact CG-CG2 3.91Å; Y404-T997 WeakPolarHBondContact O-CB 3.48Å; Y404-T997 PolarHBondContact O-OG1 3.49Å; Y404-Q1001 HydrophobicContact CE1-CB 3.71Å; Y404-M1003 HydrophobicContact CD1-CB 4.15Å; Y404-M1003 HydrophobicContact CD1-CG 3.76Å; Y404-M1003 HydrophobicContact CD1-SD 4.25Å; Y404-M1003 HydrophobicContact CD2-SD 4.48Å; Y404-M1003 HydrophobicContact CE1-CB 4.37Å; Y404-M1003 HydrophobicContact CE1-CG 4.43Å; Y404-M1003 HydrophobicContact CG-CG 4.06Å; Y404-M1003 HydrophobicContact CG-SD 4Å; Y404-R1013 PolarHBondContact OH-NE 3.24Å; Y404-R1013 PolarHBondContact OH-NH2 3.25Å
405	F	95.8	Very high	90.5	Very high	43 Å²	43	39.7 Å²	39.7	19%	0.189	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.9	-175.7	-59.3	-91.1	0	0	0	109.8	E403 C408 E449 I450 I452 W509 P511 T997	E403-F405 HydrophobicContact CB-CD2 4.34Å; E403-F405 HydrophobicContact CB-CE2 3.43Å; E403-F405 VanDerWaalsContact CB-CE2 3.43Å; E403-F405 HydrophobicContact CB-CZ 3.98Å; E403-F405 HydrophobicContact CG-CE2 4.35Å; E403-F405 HydrophobicContact CG-CZ 4.48Å; F405-C408 WeakPolarHBondContact CB-SG 3.03Å; F405-C408 PolarHBondContact O-SG 2.96Å; F405-C408 VanDerWaalsContact O-SG 3.38Å; F405-E449 CarbonylContact O-C 3.47Å; F405-E449 VanDerWaalsContact O-CA 3.29Å; F405-E449 WeakPolarHBondContact O-CA 3.45Å; F405-I450 PolarHBondContact N-O 3.19Å; F405-I450 PolarHBondContact O-N 2.99Å; F405-I452 HydrophobicContact CD2-CD1 4.42Å; F405-I452 HydrophobicContact CE2-CD1 3.98Å; F405-W509 HydrophobicContact CB-CZ3 4.21Å; F405-W509 HydrophobicContact CD1-CE3 4.21Å; F405-W509 HydrophobicContact CD1-CZ3 4.33Å; F405-W509 AromaticContact CD2-CE3 3.52Å; F405-W509 HydrophobicContact CD2-CE3 3.52Å; F405-W509 AromaticContact CD2-CZ3 3.57Å; F405-W509 HydrophobicContact CD2-CZ3 3.57Å; F405-W509 HydrophobicContact CE1-CE3 4.11Å; F405-W509 HydrophobicContact CE2-CD2 4.44Å; F405-W509 AromaticContact CE2-CE3 3.39Å; F405-W509 HydrophobicContact CE2-CE3 3.39Å; F405-W509 AromaticContact CE2-CZ3 3.96Å; F405-W509 HydrophobicContact CE2-CZ3 3.96Å; F405-W509 AromaticContact CG-CE3 3.94Å; F405-W509 HydrophobicContact CG-CE3 3.94Å; F405-W509 AromaticContact CG-CZ3 3.77Å; F405-W509 HydrophobicContact CG-CZ3 3.77Å; F405-W509 HydrophobicContact CZ-CB 4.34Å; F405-W509 AromaticContact CZ-CE3 3.73Å; F405-W509 HydrophobicContact CZ-CE3 3.73Å; F405-P511 HydrophobicContact CD1-CG 4.24Å; F405-T997 WeakPolarHBondContact CA-OG1 3.47Å
406	A	93.9	Very high	91.8	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	156.4	165	0	0	0	0	0	110.3	Y447 E449 T997 N998	A406-Y447 HydrophobicContact CB-CD2 4.43Å; A406-Y447 HydrophobicContact CB-CE2 3.9Å; A406-E449 HydrophobicContact CB-CG 4.3Å; A406-T997 HydrophobicContact CB-CG2 3.62Å; A406-T997 PolarHBondContact N-OG1 2.98Å; A406-N998 HydrophobicContact CB-CB 4.43Å; A406-N998 WeakPolarHBondContact CB-O 3.25Å
407	D	91.9	Very high	92.7	Very high	89 Å²	89	37.3 Å²	37.3	48%	0.476	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.6	44.1	-179	-159.7	29.9	0	0	0	113.5	S448 L999	D407-S448 PolarHBondContact N-O 2.95Å; D407-S448 VanDerWaalsContact N-O 3.1Å; D407-L999 HydrophobicContact CB-CD1 4.16Å
408	C	93.2	Very high	92.9	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	150.7	178.9	-70.5	0	0	0	0	112.3	F405 V410 L412 S448 I450	F405-C408 WeakPolarHBondContact CB-SG 3.03Å; F405-C408 PolarHBondContact O-SG 2.96Å; F405-C408 VanDerWaalsContact O-SG 3.38Å; C408-V410 PolarHBondContact O-N 3.27Å; C408-L412 HydrophobicContact CB-CD1 4.02Å; C408-S448 PolarHBondContact N-O 3.33Å; C408-I450 HydrophobicContact CB-CD1 4.2Å
409	P	92.4	Very high	93	Very high	40 Å²	40	35.8 Å²	35.8	26%	0.26	20%	0.203	S	C	.	.			trans	-48	128.1	168.9	-28	30.2	0	0	0	113.2	D411 L412 P511	P409-D411 PolarHBondContact O-N 3Å; P409-L412 HydrophobicContact CB-CD1 3.88Å; P409-L412 HydrophobicContact CB-CG 4.1Å; P409-L412 HydrophobicContact CG-CD1 3.85Å; P409-L412 WeakPolarHBondContact O-CB 3.46Å; P409-L412 PolarHBondContact O-N 3.18Å; P409-L412 VanDerWaalsContact O-N 3.08Å; P409-P511 HydrophobicContact CG-CB 4.25Å
410	V	89.6	Confident	92.6	Very high	122 Å²	122	35.8 Å²	35.8	74%	0.739	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.5	-169.5	-62.5	0	0	0	0	114.9	C408	C408-V410 PolarHBondContact O-N 3.27Å
411	D	92.4	Very high	91.5	Very high	80 Å²	80	37.8 Å²	37.8	43%	0.428	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-4.6	-178.1	78.6	-33.6	0	0	0	113.9	P409 A415 R514	P409-D411 PolarHBondContact O-N 3Å; D411-A415 VanDerWaalsContact O-CB 3.28Å; D411-A415 WeakPolarHBondContact O-CB 3.49Å; D411-A415 PolarHBondContact O-N 2.86Å; D411-R514 IonicContact OD1-NH2 3.57Å; D411-R514 PolarHBondContact OD1-NH2 3.29Å; D411-R514 IonicContact OD2-CZ 3.47Å; D411-R514 IonicContact OD2-NH2 2.86Å; D411-R514 PolarHBondContact OD2-NH2 2.86Å
412	L	93.9	Very high	89.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-49.1	179.4	-78.4	167.8	0	0	0	113.1	C408 P409 A415 F416 I450 W509 P511 R514	C408-L412 HydrophobicContact CB-CD1 4.02Å; P409-L412 HydrophobicContact CB-CD1 3.88Å; P409-L412 HydrophobicContact CB-CG 4.1Å; P409-L412 HydrophobicContact CG-CD1 3.85Å; P409-L412 WeakPolarHBondContact O-CB 3.46Å; P409-L412 PolarHBondContact O-N 3.18Å; P409-L412 VanDerWaalsContact O-N 3.08Å; L412-A415 WeakPolarHBondContact O-CB 3.4Å; L412-A415 PolarHBondContact O-N 3.02Å; L412-A415 VanDerWaalsContact O-N 3.13Å; L412-F416 HydrophobicContact CB-CE2 4.35Å; L412-F416 HydrophobicContact CD2-CE2 4.08Å; L412-F416 WeakPolarHBondContact O-CD2 3.13Å; L412-F416 PolarHBondContact O-N 3.31Å; L412-I450 HydrophobicContact CB-CD1 3.88Å; L412-I450 HydrophobicContact CD1-CD1 4.07Å; L412-W509 HydrophobicContact CD1-CH2 3.95Å; L412-W509 HydrophobicContact CD1-CZ2 4.27Å; L412-W509 HydrophobicContact CD2-CZ2 4.19Å; L412-P511 HydrophobicContact CD1-CB 3.83Å; L412-R514 HydrophobicContact CD2-CG 3.74Å
413	I	93.5	Very high	87.9	Confident	18 Å²	18	52.6 Å²	52.6	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-52.9	-179.6	-71	173	0	0	0	110.2	A415 F416 Y417 I450 D464 S466 L473	I413-A415 VanDerWaalsContact C-N 3.27Å; I413-A415 PolarHBondContact O-N 2.89Å; I413-F416 PolarHBondContact O-N 3.35Å; I413-Y417 HydrophobicContact CG2-CD2 3.49Å; I413-Y417 VanDerWaalsContact CG2-CD2 3.49Å; I413-Y417 HydrophobicContact CG2-CE2 3.31Å; I413-Y417 VanDerWaalsContact O-CD2 3.25Å; I413-Y417 WeakPolarHBondContact O-CD2 3.38Å; I413-Y417 PolarHBondContact O-N 2.84Å; I413-I450 HydrophobicContact CG1-CD1 4.49Å; I413-I450 HydrophobicContact CG1-CG1 4.46Å; I413-D464 WeakPolarHBondContact CD1-OD1 3Å; I413-S466 VanDerWaalsContact CD1-OG 3.25Å; I413-S466 WeakPolarHBondContact CD1-OG 3.43Å; I413-L473 HydrophobicContact CG1-CD1 4.19Å; I413-L473 HydrophobicContact CG2-CD2 4.24Å
414	P	93.3	Very high	85.9	Confident	77 Å²	77	60 Å²	60	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-55	-39	172.3	-26.8	33.7	0	0	0	114	S418	P414-S418 WeakPolarHBondContact O-CB 3.29Å; P414-S418 PolarHBondContact O-N 3.45Å
415	A	93.2	Very high	84.2	Confident	2 Å²	2	66.8 Å²	66.8	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-48.2	178.1	0	0	0	0	0	111.8	D411 L412 I413 S418 F530	D411-A415 VanDerWaalsContact O-CB 3.28Å; D411-A415 WeakPolarHBondContact O-CB 3.49Å; D411-A415 PolarHBondContact O-N 2.86Å; L412-A415 WeakPolarHBondContact O-CB 3.4Å; L412-A415 PolarHBondContact O-N 3.02Å; L412-A415 VanDerWaalsContact O-N 3.13Å; I413-A415 VanDerWaalsContact C-N 3.27Å; I413-A415 PolarHBondContact O-N 2.89Å; A415-S418 PolarHBondContact O-N 3.22Å; A415-S418 PolarHBondContact O-OG 2.92Å; A415-F530 HydrophobicContact CB-CE1 4.19Å; A415-F530 HydrophobicContact CB-CZ 4.19Å
416	F	94.2	Very high	82.9	Confident	1 Å²	1	74 Å²	74	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-43.3	177.7	-71	-59	0	0	0	112.4	L412 I413 S418 V419 G420 I450 F462 L473 Y474 W509 F530 Y612	L412-F416 HydrophobicContact CB-CE2 4.35Å; L412-F416 HydrophobicContact CD2-CE2 4.08Å; L412-F416 WeakPolarHBondContact O-CD2 3.13Å; L412-F416 PolarHBondContact O-N 3.31Å; I413-F416 PolarHBondContact O-N 3.35Å; F416-S418 VanDerWaalsContact C-N 3.25Å; F416-S418 PolarHBondContact O-N 3.15Å; F416-V419 VanDerWaalsContact O-CG2 3.28Å; F416-V419 WeakPolarHBondContact O-CG2 3.26Å; F416-V419 PolarHBondContact O-N 2.96Å; F416-V419 VanDerWaalsContact O-N 3.16Å; F416-G420 PolarHBondContact O-N 2.65Å; F416-I450 HydrophobicContact CE2-CD1 4.21Å; F416-F462 HydrophobicContact CE1-CD1 4.12Å; F416-F462 HydrophobicContact CE1-CE1 4.29Å; F416-F462 HydrophobicContact CE1-CG 4.4Å; F416-F462 AromaticContact CE2-CD1 3.95Å; F416-F462 HydrophobicContact CE2-CD1 3.95Å; F416-F462 HydrophobicContact CE2-CE1 4.39Å; F416-F462 AromaticContact CZ-CD1 3.69Å; F416-F462 HydrophobicContact CZ-CD1 3.69Å; F416-F462 AromaticContact CZ-CE1 3.79Å; F416-F462 HydrophobicContact CZ-CE1 3.79Å; F416-F462 HydrophobicContact CZ-CG 4.4Å; F416-L473 HydrophobicContact CB-CB 3.78Å; F416-L473 HydrophobicContact CB-CD1 4.3Å; F416-L473 HydrophobicContact CD2-CD1 4.35Å; F416-Y474 HydrophobicContact CD1-CG 4.32Å; F416-W509 HydrophobicContact CE2-CZ2 4.19Å; F416-W509 HydrophobicContact CZ-CZ2 4.17Å; F416-F530 HydrophobicContact CD1-CD2 4.36Å; F416-F530 AromaticContact CD1-CE2 3.67Å; F416-F530 HydrophobicContact CD1-CE2 3.67Å; F416-F530 HydrophobicContact CD1-CZ 4.43Å; F416-F530 AromaticContact CE1-CD2 3.85Å; F416-F530 HydrophobicContact CE1-CD2 3.85Å; F416-F530 AromaticContact CE1-CE2 3.63Å; F416-F530 HydrophobicContact CE1-CE2 3.63Å; F416-Y612 HydrophobicContact CE1-CD2 4.38Å; F416-Y612 AromaticContact CE1-CE2 3.51Å; F416-Y612 HydrophobicContact CE1-CE2 3.51Å; F416-Y612 AromaticContact CZ-CE2 3.96Å; F416-Y612 HydrophobicContact CZ-CE2 3.96Å; F416-Y612 WeakPolarHBondContact CZ-OH 3.45Å
417	Y	90.4	Very high	82.2	Confident	75 Å²	75	76.7 Å²	76.7	29%	0.294	40%	0.401	S	S	.	.	H	α-helix	trans	-55.6	-41.6	174.9	-87.1	-64.1	0	0	0	112.2	I413 V419 G420 S421 Q471 L473	I413-Y417 HydrophobicContact CG2-CD2 3.49Å; I413-Y417 VanDerWaalsContact CG2-CD2 3.49Å; I413-Y417 HydrophobicContact CG2-CE2 3.31Å; I413-Y417 VanDerWaalsContact O-CD2 3.25Å; I413-Y417 WeakPolarHBondContact O-CD2 3.38Å; I413-Y417 PolarHBondContact O-N 2.84Å; Y417-V419 PolarHBondContact O-N 2.99Å; Y417-G420 PolarHBondContact O-N 2.7Å; Y417-S421 WeakPolarHBondContact O-CB 3.2Å; Y417-S421 PolarHBondContact O-N 2.83Å; Y417-S421 PolarHBondContact O-OG 3.08Å; Y417-Q471 VanDerWaalsContact OH-CD 3.24Å; Y417-Q471 PolarHBondContact OH-OE1 3.14Å; Y417-L473 HydrophobicContact CD1-CD2 3.91Å; Y417-L473 HydrophobicContact CD2-CD2 3.48Å; Y417-L473 VanDerWaalsContact CD2-CD2 3.48Å; Y417-L473 HydrophobicContact CE1-CD2 3.64Å; Y417-L473 HydrophobicContact CE2-CD2 3.18Å; Y417-L473 HydrophobicContact CG-CD2 3.83Å
418	S	90.3	Very high	82.1	Confident	54 Å²	54	75.3 Å²	75.3	38%	0.378	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-30	-178.2	75.8	0	0	0	0	113.8	P414 A415 F416	P414-S418 WeakPolarHBondContact O-CB 3.29Å; P414-S418 PolarHBondContact O-N 3.45Å; A415-S418 PolarHBondContact O-N 3.22Å; A415-S418 PolarHBondContact O-OG 2.92Å; F416-S418 VanDerWaalsContact C-N 3.25Å; F416-S418 PolarHBondContact O-N 3.15Å
419	V	91.1	Very high	82.1	Confident	14 Å²	14	75.7 Å²	75.7	9%	0.085	39%	0.393	C	S	.	.	H	α-helix	trans	-99.3	-28.6	-179.8	-60	0	0	0	0	112.9	F416 Y417 Y474 F530 P610	F416-V419 VanDerWaalsContact O-CG2 3.28Å; F416-V419 WeakPolarHBondContact O-CG2 3.26Å; F416-V419 PolarHBondContact O-N 2.96Å; F416-V419 VanDerWaalsContact O-N 3.16Å; Y417-V419 PolarHBondContact O-N 2.99Å; V419-Y474 HydrophobicContact CG2-CD2 3.85Å; V419-Y474 HydrophobicContact CG2-CE2 4.15Å; V419-F530 HydrophobicContact CG1-CZ 4.08Å; V419-F530 HydrophobicContact CG2-CE2 3.86Å; V419-F530 HydrophobicContact CG2-CZ 3.84Å; V419-P610 HydrophobicContact CB-CB 4.03Å; V419-P610 HydrophobicContact CG1-CB 3.62Å
420	G	84.8	Confident	81.9	Confident	22 Å²	22	83.2 Å²	83.2	23%	0.227	42%	0.421	C	S	.	.	H	α-helix	trans	-83.3	-28.3	179.8	0	0	0	0	0	114.7	F416 Y417 R422 L473	F416-G420 PolarHBondContact O-N 2.65Å; Y417-G420 PolarHBondContact O-N 2.7Å; G420-R422 PolarHBondContact O-N 2.84Å; G420-L473 WeakPolarHBondContact CA-O 3.35Å
421	S	68.8	Low	82.1	Confident	75 Å²	75	82.1 Å²	82.1	52%	0.524	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-8	-177.7	56.1	0	0	0	0	115.2	Y417 Q423	Y417-S421 WeakPolarHBondContact O-CB 3.2Å; Y417-S421 PolarHBondContact O-N 2.83Å; Y417-S421 PolarHBondContact O-OG 3.08Å; S421-Q423 PolarHBondContact O-N 2.8Å; S421-Q423 VanDerWaalsContact O-N 3.09Å
422	R	56.4	Low	82	Confident	184 Å²	184	86.8 Å²	86.8	69%	0.694	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	18.2	-175	-66.6	-171.6	176	-166.4	-0.5	115.2	G420	G420-R422 PolarHBondContact O-N 2.84Å
423	Q	54.4	Low	82	Confident	147 Å²	147	88.3 Å²	88.3	69%	0.687	43%	0.432	S	S	*	.			trans	-122.3	44.8	-177.3	-62.8	-175.5	7.6	0	0	113.7	S421 R425	S421-Q423 PolarHBondContact O-N 2.8Å; S421-Q423 VanDerWaalsContact O-N 3.09Å; Q423-R425 PolarHBondContact O-N 2.8Å
424	K	53.3	Low	82.1	Confident	198 Å²	198	88 Å²	88	86%	0.861	43%	0.431	S	S	*	.			trans	-60.2	111.7	169.3	-74.7	-167.7	177.8	-173	0	109.4
425	R	61.3	Low	82.2	Confident	148 Å²	148	84.3 Å²	84.3	56%	0.558	41%	0.407	S	S	*	.			trans	-75.2	129.2	179.7	-64.7	179.6	179.9	-171.7	-0.1	108.9	Q423 Y428	Q423-R425 PolarHBondContact O-N 2.8Å; R425-Y428 HydrophobicContact CB-CD2 3.8Å; R425-Y428 HydrophobicContact CB-CE2 3.36Å; R425-Y428 HydrophobicContact CG-CE2 4.14Å; R425-Y428 PolarHBondContact NH1-OH 2.95Å
426	Q	67.6	Low	82.2	Confident	194 Å²	194	85.8 Å²	85.8	91%	0.907	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	147.9	171.3	-65.4	-178.6	-6.1	0	0	109.5
427	G	80.9	Confident	82.2	Confident	63 Å²	63	86 Å²	86	65%	0.649	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.7	1.1	174	0	0	0	0	0	116.6
428	Y	89.3	Confident	82.3	Confident	60 Å²	60	82.6 Å²	82.6	24%	0.235	41%	0.407	C	S	.	.			trans	-84.2	157.7	172.8	-71.5	-88.7	0	0	0	112.3	I385 E387 R425	I385-Y428 HydrophobicContact CD1-CD1 4.12Å; I385-Y428 HydrophobicContact CD1-CE1 3.52Å; I385-Y428 HydrophobicContact CG1-CD1 3.74Å; I385-Y428 HydrophobicContact CG1-CE1 3.7Å; I385-Y428 CarbonylContact O-C 3.57Å; I385-Y428 VanDerWaalsContact O-CA 3.27Å; I385-Y428 WeakPolarHBondContact O-CA 3.22Å; I385-Y428 WeakPolarHBondContact O-CD1 3.48Å; E387-Y428 VanDerWaalsContact CA-CD1 3.47Å; E387-Y428 HydrophobicContact CB-CD1 3.78Å; E387-Y428 HydrophobicContact CB-CE1 4.21Å; E387-Y428 HydrophobicContact CB-CG 4.11Å; E387-Y428 HydrophobicContact CG-CD1 4.49Å; R425-Y428 HydrophobicContact CB-CD2 3.8Å; R425-Y428 HydrophobicContact CB-CE2 3.36Å; R425-Y428 HydrophobicContact CG-CE2 4.14Å; R425-Y428 PolarHBondContact NH1-OH 2.95Å
429	S	92.5	Very high	82.3	Confident	15 Å²	15	83.4 Å²	83.4	11%	0.105	41%	0.408	C	S	.	.			trans	-60	142.9	171.8	179.4	0	0	0	0	110.9	D377 Q380 I385 K431	D377-S429 PolarHBondContact OD2-OG 3.27Å; Q380-S429 PolarHBondContact NE2-OG 3.33Å; I385-S429 PolarHBondContact O-N 3.35Å; S429-K431 VanDerWaalsContact C-N 3.3Å; S429-K431 PolarHBondContact OG-N 3.25Å; S429-K431 VanDerWaalsContact OG-N 3.12Å
430	K	89.3	Confident	82.1	Confident	198 Å²	198	91 Å²	91	86%	0.861	44%	0.435	S	S	*	.	S	Bend	trans	-82.6	-4.5	173.2	-60.5	179.9	-177.9	176	0	113.7
431	K	92.2	Very high	81.9	Confident	99 Å²	99	91 Å²	91	43%	0.43	44%	0.435	S	S	.	.	S	Bend	trans	-82.2	157.7	179.3	-71.8	-169	174.9	-169.4	0	111.2	F386 S429	F386-K431 HydrophobicContact CE1-CB 3.58Å; F386-K431 HydrophobicContact CZ-CB 4.17Å; S429-K431 VanDerWaalsContact C-N 3.3Å; S429-K431 PolarHBondContact OG-N 3.25Å; S429-K431 VanDerWaalsContact OG-N 3.12Å
432	E	92.3	Very high	82.3	Confident	179 Å²	179	96.3 Å²	96.3	84%	0.836	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-67.1	147.1	174.6	-64.7	-174.8	169.4	0	0	111.6	F386	F386-E432 VanDerWaalsContact CE1-O 3.22Å; F386-E432 WeakPolarHBondContact CE1-O 3.43Å
433	W	93.4	Very high	82.8	Confident	31 Å²	31	88.6 Å²	88.6	12%	0.117	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-58.7	125.8	177.1	178	-103.5	0	0	0	110.8	V375 F386 E387 N388 P389 Y390 I435	V375-W433 HydrophobicContact CB-CH2 3.97Å; V375-W433 HydrophobicContact CB-CZ3 3.8Å; V375-W433 HydrophobicContact CG2-CH2 3.25Å; V375-W433 HydrophobicContact CG2-CZ2 3.95Å; V375-W433 HydrophobicContact CG2-CZ3 3.64Å; F386-W433 HydrophobicContact CB-CE3 3.59Å; F386-W433 HydrophobicContact CB-CZ3 3.76Å; F386-W433 HydrophobicContact CG-CE3 4.43Å; E387-W433 VanDerWaalsContact O-CE3 3.3Å; N388-W433 HydrophobicContact CB-CH2 4.14Å; N388-W433 HydrophobicContact CB-CZ3 4.2Å; P389-W433 HydrophobicContact CG-CB 4.32Å; P389-W433 HydrophobicContact CG-CD2 3.92Å; P389-W433 HydrophobicContact CG-CG 3.74Å; Y390-W433 HydrophobicContact CD2-CZ2 4.35Å; Y390-W433 HydrophobicContact CE2-CZ2 4.41Å; Y390-W433 AromaticContact CE2-NE1 3.7Å; W433-I435 HydrophobicContact CZ2-CD1 3.77Å; W433-I435 HydrophobicContact CZ2-CG1 4.35Å; W433-I435 PolarHBondContact NE1-O 3.19Å; W433-I435 PolarHBondContact O-N 3.48Å
434	P	95	Very high	83.5	Confident	11 Å²	11	87.7 Å²	87.7	7%	0.071	43%	0.434	C	S	.	.	S	Bend	trans	-76.7	-25.9	-165.6	27.8	-34.9	0	0	0	114.2	L350 Y363 V375 S436	L350-P434 HydrophobicContact CD1-CB 3.69Å; L350-P434 HydrophobicContact CD1-CG 3.73Å; Y363-P434 HydrophobicContact CE2-CB 3.86Å; V375-P434 HydrophobicContact CG1-CG 3.8Å; P434-S436 PolarHBondContact O-N 3.39Å; P434-S436 PolarHBondContact O-OG 2.87Å
435	I	95.6	Very high	84.3	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	40%	0.401	C	S	.	.			trans	-82.7	97.3	176.9	-43.1	170.1	0	0	0	107	F65 K70 L72 F84 G85 W433	F65-I435 HydrophobicContact CE2-CG1 4.34Å; F65-I435 HydrophobicContact CE2-CG2 4.44Å; K70-I435 WeakPolarHBondContact O-CG2 3.21Å; L72-I435 HydrophobicContact CB-CD1 3.88Å; L72-I435 HydrophobicContact CB-CG1 4.48Å; L72-I435 HydrophobicContact CB-CG2 3.92Å; L72-I435 HydrophobicContact CD2-CD1 3.69Å; L72-I435 HydrophobicContact CG-CD1 4.32Å; F84-I435 WeakPolarHBondContact O-CG2 3.49Å; G85-I435 CarbonylContact C-O 3.55Å; G85-I435 CarbonylContact O-C 3.57Å; G85-I435 WeakPolarHBondContact O-CG2 3.05Å; W433-I435 HydrophobicContact CZ2-CD1 3.77Å; W433-I435 HydrophobicContact CZ2-CG1 4.35Å; W433-I435 PolarHBondContact NE1-O 3.19Å; W433-I435 PolarHBondContact O-N 3.48Å
436	S	94.1	Very high	85.2	Confident	33 Å²	33	78.7 Å²	78.7	23%	0.231	42%	0.415	C	S	.	.			trans	-136.1	14.1	-164.6	49	0	0	0	0	113.6	K70 R86 P434	K70-S436 WeakPolarHBondContact CD-OG 3.49Å; K70-S436 PolarHBondContact O-N 2.92Å; R86-S436 PolarHBondContact NE-O 3.25Å; R86-S436 PolarHBondContact NH2-O 2.83Å; P434-S436 PolarHBondContact O-N 3.39Å; P434-S436 PolarHBondContact O-OG 2.87Å
437	G	93.7	Very high	86	Confident	6 Å²	6	71 Å²	71	6%	0.062	38%	0.378	C	S	.	.			trans	-70.9	163.9	-178.5	0	0	0	0	0	115.9	Q69 K70 G85 R86	Q69-G437 WeakPolarHBondContact O-CA 3.44Å; K70-G437 PolarHBondContact O-N 3.42Å; G85-G437 CarbonylContact C-O 3.57Å; G85-G437 VanDerWaalsContact CA-O 3.25Å; G85-G437 WeakPolarHBondContact CA-O 3.01Å; R86-G437 WeakPolarHBondContact CG-O 3.1Å; R86-G437 PolarHBondContact N-O 3.44Å
438	G	92.8	Very high	86.6	Confident	3 Å²	3	69.1 Å²	69.1	3%	0.031	35%	0.354	C	S	.	.	S	Bend	trans	75.4	176.7	173.5	0	0	0	0	0	115.6	R86 E1030 L1031	R86-G438 WeakPolarHBondContact CD-O 3.47Å; R86-G438 PolarHBondContact NE-O 2.81Å; G438-E1030 CarbonylContact C-O 3.54Å; G438-E1030 WeakPolarHBondContact CA-O 3.28Å; G438-L1031 VanDerWaalsContact CA-O 3.3Å; G438-L1031 WeakPolarHBondContact CA-O 3.11Å
439	N	90.3	Very high	86.8	Confident	71 Å²	71	66.2 Å²	66.2	38%	0.38	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-124	148	-177	-71.9	-31.3	0	0	0	111.7	V89 G1029 E1030 T1033	V89-N439 WeakPolarHBondContact CG2-O 3.04Å; N439-G1029 CarbonylContact O-C 3.52Å; N439-G1029 WeakPolarHBondContact O-CA 2.98Å; N439-E1030 HydrophobicContact CB-CB 4.46Å; N439-E1030 PolarHBondContact N-O 2.9Å; N439-E1030 PolarHBondContact O-N 3.17Å; N439-T1033 HydrophobicContact CB-CG2 4.39Å; N439-T1033 WeakPolarHBondContact ND2-CG2 3.5Å
440	W	85.6	Confident	87	Confident	173 Å²	173	65.5 Å²	65.5	66%	0.655	34%	0.338	S	S	*	.			trans	-67.7	151.3	174.9	-64.4	-2.5	0	0	0	111.3	P87	P87-W440 PolarHBondContact O-NE1 3.43Å
441	G	81.9	Confident	87.3	Confident	23 Å²	23	56.1 Å²	56.1	24%	0.237	30%	0.297	C	S	.	.			trans	-66.9	153.3	166	0	0	0	0	0	110.7	E1026 M1027 L1028	G441-E1026 CarbonylContact C-O 3.58Å; G441-E1026 WeakPolarHBondContact CA-O 3.5Å; G441-M1027 WeakPolarHBondContact CA-O 3.47Å; G441-L1028 WeakPolarHBondContact CA-O 3.25Å
442	Q	75.6	Confident	87.5	Confident	185 Å²	185	51.4 Å²	51.4	86%	0.864	28%	0.277	S	S	*	.	S	Bend	trans	-90	-16.6	-179.7	-64.3	-177.5	7.1	0	0	112.1	E1026	Q442-E1026 PolarHBondContact N-O 3.22Å
443	G	68.4	Low	87.7	Confident	22 Å²	22	42.9 Å²	42.9	23%	0.227	24%	0.237	C	C	.	.			trans	-77.1	127.4	177	0	0	0	0	0	112.2	E1026	G443-E1026 PolarHBondContact N-O 3.1Å; G443-E1026 VanDerWaalsContact N-O 3.16Å
444	T	68	Low	87.8	Confident	129 Å²	129	41.4 Å²	41.4	79%	0.791	23%	0.232	S	C	*	.			trans	-117.8	142.1	171.5	55.9	0	0	0	0	110.3
445	Q	70.6	Confident	87.8	Confident	34 Å²	34	40.9 Å²	40.9	16%	0.159	23%	0.228	C	C	.	.			trans	-70.6	143.9	164.1	-70.4	-179.6	-43.7	0	0	109.5	Y447 E449 S466 M1027	Q445-Y447 VanDerWaalsContact C-N 3.32Å; Q445-Y447 HydrophobicContact CB-CE1 4.42Å; Q445-Y447 PolarHBondContact NE2-OH 3.42Å; Q445-E449 PolarHBondContact NE2-OE1 3.39Å; Q445-E449 PolarHBondContact OE1-OE1 3.48Å; Q445-E449 VanDerWaalsContact OE1-OE1 3.07Å; Q445-S466 PolarHBondContact OE1-O 2.91Å; Q445-M1027 HydrophobicContact CG-CE 4.14Å; Q445-M1027 HydrophobicContact CG-SD 4.48Å
446	S	79.2	Confident	87.6	Confident	123 Å²	123	41.7 Å²	41.7	86%	0.86	24%	0.235	S	C	*	.	S	Bend	trans	-84.4	-8.1	-178.4	58	0	0	0	0	113.8
447	Y	86.4	Confident	87.5	Confident	33 Å²	33	42.4 Å²	42.4	13%	0.129	24%	0.236	C	C	.	.	S	Bend	trans	-126.1	157.1	-172.5	60.8	-95.1	0	0	0	110.9	A406 Q445 E449 L999	A406-Y447 HydrophobicContact CB-CD2 4.43Å; A406-Y447 HydrophobicContact CB-CE2 3.9Å; Q445-Y447 VanDerWaalsContact C-N 3.32Å; Q445-Y447 HydrophobicContact CB-CE1 4.42Å; Q445-Y447 PolarHBondContact NE2-OH 3.42Å; Y447-E449 HydrophobicContact CD2-CG 3.85Å; Y447-E449 HydrophobicContact CE2-CG 3.49Å; Y447-E449 VanDerWaalsContact CE2-CG 3.49Å; Y447-E449 WeakPolarHBondContact CE2-OE1 3.44Å; Y447-E449 PolarHBondContact OH-OE1 3Å; Y447-E449 VanDerWaalsContact OH-OE1 3.08Å; Y447-L999 HydrophobicContact CD1-CD1 3.49Å; Y447-L999 VanDerWaalsContact CD1-CD1 3.49Å; Y447-L999 HydrophobicContact CD2-CD1 4Å; Y447-L999 HydrophobicContact CE1-CB 4.44Å; Y447-L999 HydrophobicContact CE1-CD1 3.38Å; Y447-L999 HydrophobicContact CE2-CD1 3.86Å; Y447-L999 HydrophobicContact CG-CD1 3.82Å
448	S	91.9	Very high	87.5	Confident	22 Å²	22	42.1 Å²	42.1	15%	0.154	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.4	-179.6	-63.9	0	0	0	0	111.6	D407 C408 S466	D407-S448 PolarHBondContact N-O 2.95Å; D407-S448 VanDerWaalsContact N-O 3.1Å; C408-S448 PolarHBondContact N-O 3.33Å; S448-S466 WeakPolarHBondContact CA-OG 3.33Å
449	E	94.2	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134	175.9	-57.7	-170.8	176.3	0	0	111.1	Y404 F405 A406 Q445 Y447 A465 S466 R1013	Y404-E449 HydrophobicContact CE2-CB 4.19Å; Y404-E449 WeakPolarHBondContact CE2-OE2 3.47Å; Y404-E449 PolarHBondContact OH-OE2 2.98Å; F405-E449 CarbonylContact O-C 3.47Å; F405-E449 VanDerWaalsContact O-CA 3.29Å; F405-E449 WeakPolarHBondContact O-CA 3.45Å; A406-E449 HydrophobicContact CB-CG 4.3Å; Q445-E449 PolarHBondContact NE2-OE1 3.39Å; Q445-E449 PolarHBondContact OE1-OE1 3.48Å; Q445-E449 VanDerWaalsContact OE1-OE1 3.07Å; Y447-E449 HydrophobicContact CD2-CG 3.85Å; Y447-E449 HydrophobicContact CE2-CG 3.49Å; Y447-E449 VanDerWaalsContact CE2-CG 3.49Å; Y447-E449 WeakPolarHBondContact CE2-OE1 3.44Å; Y447-E449 PolarHBondContact OH-OE1 3Å; Y447-E449 VanDerWaalsContact OH-OE1 3.08Å; E449-A465 HydrophobicContact CB-CB 4.04Å; E449-A465 PolarHBondContact O-N 2.64Å; E449-S466 PolarHBondContact N-OG 3.35Å; E449-S466 PolarHBondContact O-OG 3.16Å; E449-R1013 IonicContact OE1-NH2 2.62Å; E449-R1013 IonicContact OE2-CZ 2.65Å; E449-R1013 IonicContact OE2-NE 3.58Å; E449-R1013 IonicContact OE2-NH2 3.62Å; E449-R1013 PolarHBondContact OE2-NH2 2.86Å
450	I	96.3	Very high	87.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.9	179	-68.5	171.8	0	0	0	109.6	F405 C408 L412 I413 F416 I452 F462 W463 W509	F405-I450 PolarHBondContact N-O 3.19Å; F405-I450 PolarHBondContact O-N 2.99Å; C408-I450 HydrophobicContact CB-CD1 4.2Å; L412-I450 HydrophobicContact CB-CD1 3.88Å; L412-I450 HydrophobicContact CD1-CD1 4.07Å; I413-I450 HydrophobicContact CG1-CD1 4.49Å; I413-I450 HydrophobicContact CG1-CG1 4.46Å; F416-I450 HydrophobicContact CE2-CD1 4.21Å; I450-I452 HydrophobicContact CG2-CG1 3.96Å; I450-F462 HydrophobicContact CG2-CD1 4.25Å; I450-W463 WeakPolarHBondContact CA-O 3.32Å; I450-W509 HydrophobicContact CB-CH2 4.46Å; I450-W509 HydrophobicContact CB-CZ3 4.49Å; I450-W509 HydrophobicContact CD1-CH2 3.78Å; I450-W509 HydrophobicContact CG2-CH2 4.2Å; I450-W509 HydrophobicContact CG2-CZ3 4.25Å
451	I	96.1	Very high	88.3	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139	166.8	-67.3	170	0	0	0	108.1	Y404 T453 W463 A465 L470 M1003	Y404-I451 HydrophobicContact CD2-CD1 4.36Å; Y404-I451 HydrophobicContact CD2-CG1 3.53Å; Y404-I451 HydrophobicContact CE2-CD1 4.4Å; Y404-I451 HydrophobicContact CE2-CG1 3.93Å; Y404-I451 HydrophobicContact CG-CG1 4.28Å; I451-T453 HydrophobicContact CG2-CG2 4.1Å; I451-W463 HydrophobicContact CB-CB 4.18Å; I451-W463 PolarHBondContact N-O 2.73Å; I451-W463 VanDerWaalsContact O-CD1 3.3Å; I451-W463 PolarHBondContact O-N 3.37Å; I451-A465 HydrophobicContact CD1-CB 3.65Å; I451-A465 HydrophobicContact CG1-CB 3.81Å; I451-L470 HydrophobicContact CD1-CD1 4.02Å; I451-M1003 HydrophobicContact CB-SD 4.46Å; I451-M1003 HydrophobicContact CD1-SD 3.56Å; I451-M1003 VanDerWaalsContact CD1-SD 3.56Å; I451-M1003 HydrophobicContact CG1-CE 4.49Å; I451-M1003 HydrophobicContact CG1-SD 3.69Å; I451-M1003 HydrophobicContact CG2-CE 3.85Å; I451-M1003 HydrophobicContact CG2-SD 3.96Å
452	I	96.8	Very high	89	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.3	172.6	-49.8	177.7	0	0	0	108.5	C402 E403 F405 I450 V460 K461 F462 M507 W509	C402-I452 CarbonylContact C-O 3.52Å; C402-I452 VanDerWaalsContact CA-O 3.29Å; C402-I452 WeakPolarHBondContact CA-O 3.39Å; E403-I452 HydrophobicContact CB-CB 4.4Å; E403-I452 PolarHBondContact N-O 2.66Å; E403-I452 PolarHBondContact O-N 3.19Å; F405-I452 HydrophobicContact CD2-CD1 4.42Å; F405-I452 HydrophobicContact CE2-CD1 3.98Å; I450-I452 HydrophobicContact CG2-CG1 3.96Å; I452-V460 HydrophobicContact CG2-CG1 3.48Å; I452-V460 VanDerWaalsContact CG2-CG1 3.48Å; I452-K461 WeakPolarHBondContact CA-O 3.4Å; I452-F462 HydrophobicContact CD1-CD1 3.93Å; I452-F462 HydrophobicContact CD1-CE1 3.35Å; I452-F462 HydrophobicContact CD1-CZ 3.9Å; I452-F462 HydrophobicContact CG1-CD1 3.82Å; I452-F462 HydrophobicContact CG1-CE1 3.75Å; I452-F462 HydrophobicContact CG1-CG 4.49Å; I452-F462 HydrophobicContact CG1-CZ 4.36Å; I452-F462 HydrophobicContact CG2-CE1 4.39Å; I452-F462 HydrophobicContact CG2-CE2 4.31Å; I452-F462 HydrophobicContact CG2-CZ 4.18Å; I452-M507 HydrophobicContact CB-CE 4.22Å; I452-M507 HydrophobicContact CG2-CE 3.74Å; I452-M507 HydrophobicContact CG2-SD 3.8Å; I452-W509 HydrophobicContact CD1-CB 4.15Å; I452-W509 HydrophobicContact CD1-CD2 3.63Å; I452-W509 HydrophobicContact CD1-CE3 3.57Å; I452-W509 HydrophobicContact CD1-CG 3.9Å; I452-W509 HydrophobicContact CD1-CZ3 4.12Å
453	T	95.9	Very high	89.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127	176.5	58.7	0	0	0	0	110.9	V399 I451 H455 V460 K461 W463	V399-T453 HydrophobicContact CG1-CG2 4.42Å; I451-T453 HydrophobicContact CG2-CG2 4.1Å; T453-H455 PolarHBondContact O-CD2 3.39Å; T453-H455 PolarHBondContact OG1-NE2 2.97Å; T453-V460 CarbonylContact O-C 3.47Å; T453-V460 WeakPolarHBondContact O-CA 3.41Å; T453-K461 PolarHBondContact N-O 2.8Å; T453-K461 PolarHBondContact O-N 2.69Å; T453-W463 PolarHBondContact OG1-NE1 3.1Å
454	G	95.2	Very high	91	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144	167.8	0	0	0	0	0	110.6	V399 T400 C401	V399-G454 WeakPolarHBondContact CA-O 3.36Å; T400-G454 PolarHBondContact N-O 2.81Å; T400-G454 PolarHBondContact OG1-O 3.23Å; T400-G454 VanDerWaalsContact OG1-O 3.13Å; C401-G454 PolarHBondContact O-N 2.94Å
455	H	94.4	Very high	92.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158.8	-172.9	-63	-90.1	0	0	0	113	I394 S397 P398 T453 D457 G458 T459 I504	I394-H455 PolarHBondContact O-CE1 2.88Å; S397-H455 PolarHBondContact O-ND1 2.87Å; P398-H455 CarbonylContact O-C 3.56Å; P398-H455 VanDerWaalsContact O-CA 3.27Å; P398-H455 WeakPolarHBondContact O-CA 3.42Å; T453-H455 PolarHBondContact O-CD2 3.39Å; T453-H455 PolarHBondContact OG1-NE2 2.97Å; H455-D457 WeakPolarHBondContact CB-OD1 3.35Å; H455-D457 PolarHBondContact O-N 2.77Å; H455-G458 PolarHBondContact O-N 2.91Å; H455-T459 WeakPolarHBondContact CB-OG1 3.37Å; H455-T459 PolarHBondContact CD2-O 3.41Å; H455-T459 PolarHBondContact CD2-OG1 2.88Å; H455-T459 PolarHBondContact N-O 3.48Å; H455-I504 PolarHBondContact O-N 2.91Å
456	A	92.5	Very high	93.1	Very high	18 Å²	18	14.4 Å²	14.4	15%	0.149	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.3	177.7	0	0	0	0	0	112.9	S397 P398 T400 G458 D500 A503	S397-A456 PolarHBondContact OG-N 3.36Å; P398-A456 HydrophobicContact CB-CB 4.31Å; P398-A456 PolarHBondContact O-N 2.96Å; T400-A456 HydrophobicContact CG2-CB 3.95Å; A456-G458 PolarHBondContact O-N 3.3Å; A456-D500 VanDerWaalsContact O-CB 3.3Å; A456-D500 WeakPolarHBondContact O-CB 3.36Å; A456-A503 HydrophobicContact CB-CB 4.39Å; A456-A503 WeakPolarHBondContact O-CA 3.28Å; A456-A503 WeakPolarHBondContact O-CB 3.18Å; A456-A503 PolarHBondContact O-N 3.01Å
457	D	91.6	Very high	93.3	Very high	47 Å²	47	11 Å²	11	25%	0.251	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	9.7	177.6	72.9	-19.8	0	0	0	113.9	S397 H455 T459	S397-D457 VanDerWaalsContact CB-CG 3.42Å; S397-D457 WeakPolarHBondContact OG-CB 3.48Å; S397-D457 PolarHBondContact OG-N 2.7Å; H455-D457 WeakPolarHBondContact CB-OD1 3.35Å; H455-D457 PolarHBondContact O-N 2.77Å; D457-T459 VanDerWaalsContact C-N 3.33Å; D457-T459 PolarHBondContact O-N 2.97Å; D457-T459 WeakPolarHBondContact OD1-CB 3.45Å; D457-T459 VanDerWaalsContact OD1-CG2 3.32Å; D457-T459 WeakPolarHBondContact OD1-CG2 3.13Å; D457-T459 PolarHBondContact OD1-N 2.92Å; D457-T459 PolarHBondContact OD1-OG1 3.03Å; D457-T459 WeakPolarHBondContact OD2-CG2 3.34Å
458	G	93.6	Very high	93.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	73.2	20.5	-176.2	0	0	0	0	0	115	H455 A456 T478 F502	H455-G458 PolarHBondContact O-N 2.91Å; A456-G458 PolarHBondContact O-N 3.3Å; G458-T478 WeakPolarHBondContact O-CG2 3.49Å; G458-T478 PolarHBondContact O-N 3.17Å; G458-T478 PolarHBondContact O-OG1 2.9Å; G458-F502 WeakPolarHBondContact CA-O 3.48Å; G458-F502 PolarHBondContact N-O 2.72Å
459	T	94.9	Very high	92.7	Very high	4 Å²	4	10.9 Å²	10.9	3%	0.025	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	148.3	172.1	66	0	0	0	0	112.3	H455 D457 L476 K477	H455-T459 WeakPolarHBondContact CB-OG1 3.37Å; H455-T459 PolarHBondContact CD2-O 3.41Å; H455-T459 PolarHBondContact CD2-OG1 2.88Å; H455-T459 PolarHBondContact N-O 3.48Å; D457-T459 VanDerWaalsContact C-N 3.33Å; D457-T459 PolarHBondContact O-N 2.97Å; D457-T459 WeakPolarHBondContact OD1-CB 3.45Å; D457-T459 VanDerWaalsContact OD1-CG2 3.32Å; D457-T459 WeakPolarHBondContact OD1-CG2 3.13Å; D457-T459 PolarHBondContact OD1-N 2.92Å; D457-T459 PolarHBondContact OD1-OG1 3.03Å; D457-T459 WeakPolarHBondContact OD2-CG2 3.34Å; T459-L476 VanDerWaalsContact CA-O 3.3Å; T459-L476 WeakPolarHBondContact CA-O 3.45Å; T459-L476 WeakPolarHBondContact CB-O 3.28Å; T459-K477 HydrophobicContact CG2-CD 4.5Å; T459-K477 HydrophobicContact CG2-CG 3.99Å
460	V	96.1	Very high	92.4	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	170.5	-179.6	0	0	0	0	107.9	I452 T453 F462 L476 I504 M507 V518	I452-V460 HydrophobicContact CG2-CG1 3.48Å; I452-V460 VanDerWaalsContact CG2-CG1 3.48Å; T453-V460 CarbonylContact O-C 3.47Å; T453-V460 WeakPolarHBondContact O-CA 3.41Å; V460-F462 HydrophobicContact CG1-CD2 4.46Å; V460-F462 HydrophobicContact CG1-CE2 3.88Å; V460-L476 HydrophobicContact CB-CB 4.17Å; V460-L476 PolarHBondContact N-O 2.89Å; V460-L476 PolarHBondContact O-N 2.86Å; V460-I504 HydrophobicContact CG2-CD1 4.37Å; V460-I504 HydrophobicContact CG2-CG1 4Å; V460-I504 HydrophobicContact CG2-CG2 4.49Å; V460-M507 HydrophobicContact CG1-SD 3.69Å; V460-M507 HydrophobicContact CG2-SD 4.04Å; V460-V518 HydrophobicContact CG2-CG1 4.32Å; V460-V518 HydrophobicContact CG2-CG2 4.31Å
461	K	94.8	Very high	92.1	Very high	10 Å²	10	14.2 Å²	14.2	4%	0.043	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137	179.8	-64.1	179.9	-178.8	-176.9	0	110.5	T393 I452 T453 W463 Y474 K475	T393-K461 PolarHBondContact O-NZ 2.84Å; I452-K461 WeakPolarHBondContact CA-O 3.4Å; T453-K461 PolarHBondContact N-O 2.8Å; T453-K461 PolarHBondContact O-N 2.69Å; K461-W463 HydrophobicContact CB-CZ2 3.91Å; K461-W463 HydrophobicContact CD-CH2 4.06Å; K461-W463 HydrophobicContact CD-CZ2 3.46Å; K461-W463 VanDerWaalsContact CD-CZ2 3.46Å; K461-W463 HydrophobicContact CG-CZ2 4.36Å; K461-Y474 WeakPolarHBondContact CA-O 3.47Å; K461-K475 HydrophobicContact CG-CB 4.49Å; K461-K475 HydrophobicContact CG-CG 4.21Å
462	F	95.6	Very high	91.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.5	174.6	-71.4	-105.6	0	0	0	108.7	F416 I450 I452 V460 L473 Y474 W509 L516 Y612	F416-F462 HydrophobicContact CE1-CD1 4.12Å; F416-F462 HydrophobicContact CE1-CE1 4.29Å; F416-F462 HydrophobicContact CE1-CG 4.4Å; F416-F462 AromaticContact CE2-CD1 3.95Å; F416-F462 HydrophobicContact CE2-CD1 3.95Å; F416-F462 HydrophobicContact CE2-CE1 4.39Å; F416-F462 AromaticContact CZ-CD1 3.69Å; F416-F462 HydrophobicContact CZ-CD1 3.69Å; F416-F462 AromaticContact CZ-CE1 3.79Å; F416-F462 HydrophobicContact CZ-CE1 3.79Å; F416-F462 HydrophobicContact CZ-CG 4.4Å; I450-F462 HydrophobicContact CG2-CD1 4.25Å; I452-F462 HydrophobicContact CD1-CD1 3.93Å; I452-F462 HydrophobicContact CD1-CE1 3.35Å; I452-F462 HydrophobicContact CD1-CZ 3.9Å; I452-F462 HydrophobicContact CG1-CD1 3.82Å; I452-F462 HydrophobicContact CG1-CE1 3.75Å; I452-F462 HydrophobicContact CG1-CG 4.49Å; I452-F462 HydrophobicContact CG1-CZ 4.36Å; I452-F462 HydrophobicContact CG2-CE1 4.39Å; I452-F462 HydrophobicContact CG2-CE2 4.31Å; I452-F462 HydrophobicContact CG2-CZ 4.18Å; V460-F462 HydrophobicContact CG1-CD2 4.46Å; V460-F462 HydrophobicContact CG1-CE2 3.88Å; F462-L473 HydrophobicContact CB-CB 4.33Å; F462-L473 WeakPolarHBondContact O-CB 3.46Å; F462-L473 PolarHBondContact O-N 3.34Å; F462-Y474 AromaticContact CD2-CD1 3.87Å; F462-Y474 HydrophobicContact CD2-CD1 3.87Å; F462-Y474 HydrophobicContact CE2-CD1 4.29Å; F462-Y474 PolarHBondContact N-O 2.87Å; F462-Y474 PolarHBondContact O-N 3Å; F462-W509 HydrophobicContact CE1-CZ2 4.29Å; F462-L516 HydrophobicContact CE2-CD2 4.28Å; F462-L516 HydrophobicContact CZ-CD1 4.5Å; F462-L516 HydrophobicContact CZ-CD2 4.05Å; F462-Y612 HydrophobicContact CD2-CE2 4.34Å; F462-Y612 AromaticContact CE1-CE2 3.84Å; F462-Y612 HydrophobicContact CE1-CE2 3.84Å; F462-Y612 AromaticContact CE2-CD2 3.98Å; F462-Y612 HydrophobicContact CE2-CD2 3.98Å; F462-Y612 AromaticContact CE2-CE2 3.52Å; F462-Y612 HydrophobicContact CE2-CE2 3.52Å; F462-Y612 HydrophobicContact CZ-CD2 4.1Å; F462-Y612 AromaticContact CZ-CE2 3.24Å; F462-Y612 HydrophobicContact CZ-CE2 3.24Å; F462-Y612 AromaticContact CZ-CZ 3.78Å
463	W	94.1	Very high	91.5	Very high	1 Å²	1	18 Å²	18	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.9	-175.2	-47	83.1	0	0	0	110.8	P391 I394 I450 I451 T453 K461 L470 Q471 V472	P391-W463 HydrophobicContact CB-CZ3 3.94Å; I394-W463 HydrophobicContact CG1-CH2 4.44Å; I394-W463 HydrophobicContact CG2-CZ2 4.38Å; I450-W463 WeakPolarHBondContact CA-O 3.32Å; I451-W463 HydrophobicContact CB-CB 4.18Å; I451-W463 PolarHBondContact N-O 2.73Å; I451-W463 VanDerWaalsContact O-CD1 3.3Å; I451-W463 PolarHBondContact O-N 3.37Å; T453-W463 PolarHBondContact OG1-NE1 3.1Å; K461-W463 HydrophobicContact CB-CZ2 3.91Å; K461-W463 HydrophobicContact CD-CH2 4.06Å; K461-W463 HydrophobicContact CD-CZ2 3.46Å; K461-W463 VanDerWaalsContact CD-CZ2 3.46Å; K461-W463 HydrophobicContact CG-CZ2 4.36Å; W463-L470 HydrophobicContact CB-CD1 3.68Å; W463-L470 HydrophobicContact CB-CG 4.15Å; W463-L470 HydrophobicContact CD2-CD2 4.22Å; W463-L470 HydrophobicContact CD2-CG 4.46Å; W463-L470 HydrophobicContact CE3-CD2 3.82Å; W463-L470 HydrophobicContact CE3-CG 3.97Å; W463-L470 HydrophobicContact CG-CD1 4.41Å; W463-L470 HydrophobicContact CZ3-CD2 4.32Å; W463-Q471 CarbonylContact C-O 3.57Å; W463-Q471 WeakPolarHBondContact CA-O 3.32Å; W463-V472 HydrophobicContact CD2-CG2 4.45Å; W463-V472 HydrophobicContact CE3-CB 4.32Å; W463-V472 HydrophobicContact CE3-CG2 3.55Å; W463-V472 HydrophobicContact CH2-CG2 3.7Å; W463-V472 HydrophobicContact CZ3-CB 4.31Å; W463-V472 HydrophobicContact CZ3-CG2 3.12Å
464	D	93.1	Very high	91.3	Very high	21 Å²	21	18.8 Å²	18.8	11%	0.112	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.6	166	-173.9	-3.3	0	0	0	108.4	I413 S466 L470 Q471 L473	I413-D464 WeakPolarHBondContact CD1-OD1 3Å; D464-S466 WeakPolarHBondContact OD1-CB 3.36Å; D464-S466 PolarHBondContact OD1-N 3.34Å; D464-S466 PolarHBondContact OD1-OG 2.85Å; D464-L470 WeakPolarHBondContact O-CA 3.26Å; D464-Q471 HydrophobicContact CB-CB 4.23Å; D464-Q471 PolarHBondContact N-O 3.25Å; D464-Q471 PolarHBondContact O-N 2.84Å; D464-L473 HydrophobicContact CB-CD1 3.9Å; D464-L473 HydrophobicContact CB-CD2 3.95Å; D464-L473 HydrophobicContact CB-CG 3.9Å
465	A	92.4	Very high	91.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.			trans	-114.2	9.1	178.6	0	0	0	0	0	112.5	E449 I451 A467 L470 R1013	E449-A465 HydrophobicContact CB-CB 4.04Å; E449-A465 PolarHBondContact O-N 2.64Å; I451-A465 HydrophobicContact CD1-CB 3.65Å; I451-A465 HydrophobicContact CG1-CB 3.81Å; A465-A467 PolarHBondContact O-N 3.34Å; A465-A467 VanDerWaalsContact O-N 3.15Å; A465-L470 HydrophobicContact CB-CD1 4.01Å; A465-R1013 VanDerWaalsContact O-CZ 3.27Å; A465-R1013 PolarHBondContact O-NH1 2.95Å; A465-R1013 PolarHBondContact O-NH2 2.74Å; A465-R1013 VanDerWaalsContact O-NH2 3.11Å
466	S	89.3	Confident	91.2	Very high	22 Å²	22	21.6 Å²	21.6	15%	0.154	12%	0.122	C	C	.	.	S	Bend	trans	-66.4	-17.2	-174.3	-42.2	0	0	0	0	113.3	I413 Q445 S448 E449 D464	I413-S466 VanDerWaalsContact CD1-OG 3.25Å; I413-S466 WeakPolarHBondContact CD1-OG 3.43Å; Q445-S466 PolarHBondContact OE1-O 2.91Å; S448-S466 WeakPolarHBondContact CA-OG 3.33Å; E449-S466 PolarHBondContact N-OG 3.35Å; E449-S466 PolarHBondContact O-OG 3.16Å; D464-S466 WeakPolarHBondContact OD1-CB 3.36Å; D464-S466 PolarHBondContact OD1-N 3.34Å; D464-S466 PolarHBondContact OD1-OG 2.85Å
467	A	83.9	Confident	91.3	Very high	51 Å²	51	25.8 Å²	25.8	42%	0.421	14%	0.137	S	C	.	.	S	Bend	trans	-119.6	176.9	175.6	0	0	0	0	0	110.9	A465 M469 R1013	A465-A467 PolarHBondContact O-N 3.34Å; A465-A467 VanDerWaalsContact O-N 3.15Å; A467-M469 PolarHBondContact O-N 3.5Å; A467-R1013 PolarHBondContact O-NH1 3.05Å; A467-R1013 VanDerWaalsContact O-NH1 3.11Å
468	I	82.2	Confident	91.5	Very high	19 Å²	19	23.7 Å²	23.7	10%	0.097	13%	0.126	C	C	.	.	S	Bend	trans	-62	-27	168	-66.1	-167.9	0	0	0	111.1	V52 H54 M1027 L1028	V52-I468 HydrophobicContact CB-CG2 4.43Å; V52-I468 HydrophobicContact CG2-CG2 3.81Å; H54-I468 PolarHBondContact CE1-O 3.2Å; I468-M1027 VanDerWaalsContact CD1-C 3.42Å; I468-M1027 HydrophobicContact CD1-CB 3.99Å; I468-M1027 WeakPolarHBondContact CD1-O 3.48Å; I468-M1027 HydrophobicContact CG1-CE 4.3Å; I468-L1028 HydrophobicContact CD1-CD2 4.06Å
469	M	83.9	Confident	91.4	Very high	35 Å²	35	25.4 Å²	25.4	17%	0.172	14%	0.141	C	C	.	.	S	Bend	trans	-85.9	123.3	174.1	-161.5	172.8	94.4	0	0	110.3	P87 G88 A467 Q471	P87-M469 HydrophobicContact CB-CE 4.46Å; P87-M469 HydrophobicContact CB-SD 3.48Å; P87-M469 WeakPolarHBondContact CB-SD 3.5Å; G88-M469 PolarHBondContact N-SD 2.9Å; G88-M469 VanDerWaalsContact N-SD 3.39Å; A467-M469 PolarHBondContact O-N 3.5Å; M469-Q471 HydrophobicContact CE-CG 3.36Å
470	L	88.6	Confident	91.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.162	C	C	.	.			trans	-80.2	136.6	169.5	-173.6	78.6	0	0	0	109.4	H54 P391 I394 I451 W463 D464 A465	H54-L470 HydrophobicContact CB-CB 4.11Å; H54-L470 HydrophobicContact CB-CD2 3.72Å; P391-L470 WeakPolarHBondContact CD-O 3.27Å; P391-L470 HydrophobicContact CG-CB 3.89Å; P391-L470 HydrophobicContact CG-CD2 4.45Å; P391-L470 HydrophobicContact CG-CG 4.46Å; P391-L470 WeakPolarHBondContact CG-O 3.47Å; I394-L470 HydrophobicContact CD1-CD2 4.28Å; I451-L470 HydrophobicContact CD1-CD1 4.02Å; W463-L470 HydrophobicContact CB-CD1 3.68Å; W463-L470 HydrophobicContact CB-CG 4.15Å; W463-L470 HydrophobicContact CD2-CD2 4.22Å; W463-L470 HydrophobicContact CD2-CG 4.46Å; W463-L470 HydrophobicContact CE3-CD2 3.82Å; W463-L470 HydrophobicContact CE3-CG 3.97Å; W463-L470 HydrophobicContact CG-CD1 4.41Å; W463-L470 HydrophobicContact CZ3-CD2 4.32Å; D464-L470 WeakPolarHBondContact O-CA 3.26Å; A465-L470 HydrophobicContact CB-CD1 4.01Å
471	Q	88.4	Confident	91.2	Very high	69 Å²	69	30.6 Å²	30.6	32%	0.322	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.8	177.8	-58.4	-169.2	31.3	0	0	111.7	Y417 W463 D464 M469 L473	Y417-Q471 VanDerWaalsContact OH-CD 3.24Å; Y417-Q471 PolarHBondContact OH-OE1 3.14Å; W463-Q471 CarbonylContact C-O 3.57Å; W463-Q471 WeakPolarHBondContact CA-O 3.32Å; D464-Q471 HydrophobicContact CB-CB 4.23Å; D464-Q471 PolarHBondContact N-O 3.25Å; D464-Q471 PolarHBondContact O-N 2.84Å; M469-Q471 HydrophobicContact CE-CG 3.36Å; Q471-L473 PolarHBondContact O-N 3.23Å
472	V	88.8	Confident	91	Very high	76 Å²	76	30.2 Å²	30.2	46%	0.461	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.5	171.5	-178.2	0	0	0	0	109	W463	W463-V472 HydrophobicContact CD2-CG2 4.45Å; W463-V472 HydrophobicContact CE3-CB 4.32Å; W463-V472 HydrophobicContact CE3-CG2 3.55Å; W463-V472 HydrophobicContact CH2-CG2 3.7Å; W463-V472 HydrophobicContact CZ3-CB 4.31Å; W463-V472 HydrophobicContact CZ3-CG2 3.12Å
473	L	91.6	Very high	90.7	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-46.2	175.9	-67.1	177	0	0	0	112.3	I413 F416 Y417 G420 F462 D464 Q471	I413-L473 HydrophobicContact CG1-CD1 4.19Å; I413-L473 HydrophobicContact CG2-CD2 4.24Å; F416-L473 HydrophobicContact CB-CB 3.78Å; F416-L473 HydrophobicContact CB-CD1 4.3Å; F416-L473 HydrophobicContact CD2-CD1 4.35Å; Y417-L473 HydrophobicContact CD1-CD2 3.91Å; Y417-L473 HydrophobicContact CD2-CD2 3.48Å; Y417-L473 VanDerWaalsContact CD2-CD2 3.48Å; Y417-L473 HydrophobicContact CE1-CD2 3.64Å; Y417-L473 HydrophobicContact CE2-CD2 3.18Å; Y417-L473 HydrophobicContact CG-CD2 3.83Å; G420-L473 WeakPolarHBondContact CA-O 3.35Å; F462-L473 HydrophobicContact CB-CB 4.33Å; F462-L473 WeakPolarHBondContact O-CB 3.46Å; F462-L473 PolarHBondContact O-N 3.34Å; D464-L473 HydrophobicContact CB-CD1 3.9Å; D464-L473 HydrophobicContact CB-CD2 3.95Å; D464-L473 HydrophobicContact CB-CG 3.9Å; Q471-L473 PolarHBondContact O-N 3.23Å
474	Y	92.9	Very high	89.7	Confident	15 Å²	15	42.7 Å²	42.7	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	145.7	-172.6	178.6	-103	0	0	0	111.6	F416 V419 K461 F462 L476 Y612	F416-Y474 HydrophobicContact CD1-CG 4.32Å; V419-Y474 HydrophobicContact CG2-CD2 3.85Å; V419-Y474 HydrophobicContact CG2-CE2 4.15Å; K461-Y474 WeakPolarHBondContact CA-O 3.47Å; F462-Y474 AromaticContact CD2-CD1 3.87Å; F462-Y474 HydrophobicContact CD2-CD1 3.87Å; F462-Y474 HydrophobicContact CE2-CD1 4.29Å; F462-Y474 PolarHBondContact N-O 2.87Å; F462-Y474 PolarHBondContact O-N 3Å; Y474-L476 HydrophobicContact CE1-CB 3.89Å; Y474-Y612 HydrophobicContact CD1-CD2 4.06Å; Y474-Y612 AromaticContact CE1-CD2 3.63Å; Y474-Y612 HydrophobicContact CE1-CD2 3.63Å; Y474-Y612 HydrophobicContact CE1-CG 4.46Å; Y474-Y612 PolarHBondContact OH-N 2.86Å
475	K	93.2	Very high	88	Confident	50 Å²	50	49.1 Å²	49.1	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.8	175.6	-179.5	177.6	-178.2	176.7	0	110.5	E396 K461	E396-K475 IonicContact OE2-NZ 2.72Å; E396-K475 PolarHBondContact OE2-NZ 3.13Å; K461-K475 HydrophobicContact CG-CB 4.49Å; K461-K475 HydrophobicContact CG-CG 4.21Å
476	L	94.7	Very high	85.8	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.3	171.5	-176.2	57.2	0	0	0	110.3	T459 V460 Y474 L516 Y528	T459-L476 VanDerWaalsContact CA-O 3.3Å; T459-L476 WeakPolarHBondContact CA-O 3.45Å; T459-L476 WeakPolarHBondContact CB-O 3.28Å; V460-L476 HydrophobicContact CB-CB 4.17Å; V460-L476 PolarHBondContact N-O 2.89Å; V460-L476 PolarHBondContact O-N 2.86Å; Y474-L476 HydrophobicContact CE1-CB 3.89Å; L476-L516 HydrophobicContact CD2-CD2 3.79Å; L476-Y528 HydrophobicContact CD1-CD1 4.45Å; L476-Y528 HydrophobicContact CD1-CE1 4.03Å; L476-Y528 HydrophobicContact CD2-CD1 4.31Å; L476-Y528 HydrophobicContact CD2-CD2 4.04Å; L476-Y528 HydrophobicContact CD2-CE1 4.19Å; L476-Y528 HydrophobicContact CD2-CE2 3.85Å; L476-Y528 HydrophobicContact CD2-CG 4.26Å
477	K	94.3	Very high	83.5	Confident	105 Å²	105	62.9 Å²	62.9	46%	0.457	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112	171.3	-56.7	-161	174.2	-172	0	109.6	T459 K480	T459-K477 HydrophobicContact CG2-CD 4.5Å; T459-K477 HydrophobicContact CG2-CG 3.99Å; K477-K480 HydrophobicContact CB-CG 4.45Å
478	T	94.9	Very high	81.5	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.018	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-73.8	-30.7	-177.6	64.6	0	0	0	0	112.5	G458 K480 V481 I504 V518 I526 Y528	G458-T478 WeakPolarHBondContact O-CG2 3.49Å; G458-T478 PolarHBondContact O-N 3.17Å; G458-T478 PolarHBondContact O-OG1 2.9Å; T478-K480 PolarHBondContact O-N 2.6Å; T478-V481 WeakPolarHBondContact O-CB 3.42Å; T478-V481 WeakPolarHBondContact O-CG2 3.19Å; T478-V481 PolarHBondContact O-N 3.27Å; T478-I504 HydrophobicContact CG2-CD1 3.8Å; T478-V518 HydrophobicContact CG2-CG1 4.19Å; T478-I526 HydrophobicContact CG2-CD1 4.27Å; T478-Y528 HydrophobicContact CG2-CE2 4.46Å
479	A	92.2	Very high	79.5	Confident	37 Å²	37	76.6 Å²	76.6	31%	0.306	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-54.1	-21.1	179.3	0	0	0	0	0	114.5	V481 F482 F502	A479-V481 PolarHBondContact O-N 2.67Å; A479-F482 PolarHBondContact O-N 2.85Å; A479-F502 HydrophobicContact CB-CD1 3.98Å; A479-F502 HydrophobicContact CB-CD2 4.22Å; A479-F502 HydrophobicContact CB-CE1 4.15Å; A479-F502 HydrophobicContact CB-CE2 4.39Å; A479-F502 HydrophobicContact CB-CG 4.04Å; A479-F502 HydrophobicContact CB-CZ 4.36Å
480	K	91.9	Very high	77.1	Confident	109 Å²	109	82.6 Å²	82.6	47%	0.474	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-64.7	-21.4	175.2	-69.2	-175.9	178.6	-179.6	0	113.5	K477 T478 F482 R602 L606	K477-K480 HydrophobicContact CB-CG 4.45Å; T478-K480 PolarHBondContact O-N 2.6Å; K480-F482 VanDerWaalsContact C-N 3.29Å; K480-R602 PolarHBondContact O-NE 2.75Å; K480-R602 PolarHBondContact O-NH2 2.89Å; K480-L606 HydrophobicContact CB-CD1 4.48Å
481	V	93.6	Very high	74.7	Confident	4 Å²	4	91.7 Å²	91.7	2%	0.024	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-77.3	-19.9	-178.8	-179	0	0	0	0	111.7	T478 A479 I526 V540 R602 V614 V617	T478-V481 WeakPolarHBondContact O-CB 3.42Å; T478-V481 WeakPolarHBondContact O-CG2 3.19Å; T478-V481 PolarHBondContact O-N 3.27Å; A479-V481 PolarHBondContact O-N 2.67Å; V481-I526 HydrophobicContact CG2-CD1 4.44Å; V481-V540 HydrophobicContact CG1-CG1 4.05Å; V481-R602 WeakPolarHBondContact O-CB 3.3Å; V481-R602 PolarHBondContact O-N 3.21Å; V481-V614 HydrophobicContact CG1-CG2 4.38Å; V481-V614 HydrophobicContact CG2-CB 4.29Å; V481-V614 HydrophobicContact CG2-CG1 4.45Å; V481-V614 HydrophobicContact CG2-CG2 4.44Å; V481-V617 HydrophobicContact CG1-CG2 3.44Å; V481-V617 VanDerWaalsContact CG1-CG2 3.44Å
482	F	92.4	Very high	72.5	Confident	1 Å²	1	92.4 Å²	92.4	0%	0.004	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-106.7	161.9	-174.9	-55.3	-75.4	0	0	0	112.2	A479 K480 F502 N524 I526 L599 K600 V601	A479-F482 PolarHBondContact O-N 2.85Å; K480-F482 VanDerWaalsContact C-N 3.29Å; F482-F502 HydrophobicContact CB-CE1 3.95Å; F482-F502 AromaticContact CD2-CD1 3.87Å; F482-F502 HydrophobicContact CD2-CD1 3.87Å; F482-F502 AromaticContact CD2-CE1 3.62Å; F482-F502 HydrophobicContact CD2-CE1 3.62Å; F482-F502 HydrophobicContact CE2-CD1 4.31Å; F482-F502 HydrophobicContact CE2-CE1 4.45Å; F482-F502 HydrophobicContact CG-CE1 4.03Å; F482-N524 HydrophobicContact CZ-CB 4.46Å; F482-I526 HydrophobicContact CE2-CD1 3.86Å; F482-I526 HydrophobicContact CZ-CD1 3.92Å; F482-I526 HydrophobicContact CZ-CG1 4.47Å; F482-L599 HydrophobicContact CD1-CB 3.43Å; F482-L599 VanDerWaalsContact CD1-CB 3.43Å; F482-L599 HydrophobicContact CD1-CD1 4.24Å; F482-L599 HydrophobicContact CD1-CG 4.45Å; F482-L599 HydrophobicContact CD2-CD1 3.91Å; F482-L599 HydrophobicContact CE1-CB 3.6Å; F482-L599 HydrophobicContact CE1-CD1 4.11Å; F482-L599 HydrophobicContact CE2-CD1 3.77Å; F482-L599 HydrophobicContact CG-CB 3.92Å; F482-L599 HydrophobicContact CG-CD1 4.14Å; F482-L599 HydrophobicContact CZ-CB 4.23Å; F482-L599 HydrophobicContact CZ-CD1 3.88Å; F482-K600 CarbonylContact C-O 3.58Å; F482-K600 VanDerWaalsContact CA-O 3.3Å; F482-K600 WeakPolarHBondContact CA-O 3.38Å; F482-K600 WeakPolarHBondContact CB-O 3.11Å; F482-V601 HydrophobicContact CD1-CG2 4.08Å; F482-V601 HydrophobicContact CE1-CG2 3.91Å
483	D	88.3	Confident	69.6	Low	48 Å²	48	93.6 Å²	93.6	26%	0.257	47%	0.474	S	S	.	.			trans	-70.6	132.9	170.7	-80.4	-16.9	0	0	0	110	N485 K600 R602	D483-N485 PolarHBondContact O-N 3.11Å; D483-N485 VanDerWaalsContact O-N 3.14Å; D483-K600 HydrophobicContact CB-CB 4.45Å; D483-K600 PolarHBondContact N-O 2.81Å; D483-K600 WeakPolarHBondContact OD2-CD 3.48Å; D483-K600 WeakPolarHBondContact OD2-CE 3.34Å; D483-K600 IonicContact OD2-NZ 3.84Å; D483-R602 WeakPolarHBondContact OD1-CA 3.36Å
484	R	74.1	Confident	66.8	Low	216 Å²	216	100.3 Å²	100.3	82%	0.815	52%	0.516	S	S	*	.			trans	-82.2	95.5	179.1	-163	175.6	-178.8	-178.9	0.7	108.3	R486	R484-R486 PolarHBondContact O-N 2.8Å
485	N	57.3	Low	63.9	Low	155 Å²	155	108 Å²	108	83%	0.829	55%	0.552	S	S	*	*			trans	-63.1	102.6	171.9	-112.3	11.8	0	0	0	108.5	D483 S487	D483-N485 PolarHBondContact O-N 3.11Å; D483-N485 VanDerWaalsContact O-N 3.14Å; N485-S487 VanDerWaalsContact C-N 3.32Å; N485-S487 PolarHBondContact O-N 2.85Å; N485-S487 VanDerWaalsContact O-N 3.17Å
486	R	44.9	Very low	61.2	Low	199 Å²	199	111.5 Å²	111.5	75%	0.751	58%	0.578	S	S	*	*			trans	-80.1	85.3	166.7	-78.5	-177.6	169	177.1	-2.6	107	R484 K488	R484-R486 PolarHBondContact O-N 2.8Å; R486-K488 PolarHBondContact O-N 3.24Å
487	S	41.9	Very low	58.6	Low	112 Å²	112	115.9 Å²	115.9	78%	0.783	61%	0.609	S	S	*	*			trans	-67.6	93.2	152.3	39.8	0	0	0	0	106.8	N485	N485-S487 VanDerWaalsContact C-N 3.32Å; N485-S487 PolarHBondContact O-N 2.85Å; N485-S487 VanDerWaalsContact O-N 3.17Å
488	K	41.2	Very low	56.8	Low	174 Å²	174	118.4 Å²	118.4	76%	0.757	63%	0.627	S	S	*	*			trans	-70.6	140	157.2	-87.6	-175.3	172.7	-175.9	0	106.6	R486	R486-K488 PolarHBondContact O-N 3.24Å
489	E	40.3	Very low	55.3	Low	185 Å²	185	123.6 Å²	123.6	86%	0.864	65%	0.652	S	S	*	*			trans	82.9	96.9	178.5	-56.1	175.5	176.6	0	0	113.4
490	D	34.2	Very low	54.7	Low	161 Å²	161	124.8 Å²	124.8	86%	0.861	65%	0.653	S	S	*	*				-158.9	152.8	90.8	-133.9	-20.7	0	0	0	113.6
491	K	38.7	Very low	54.5	Low	191 Å²	191	121.4 Å²	121.4	83%	0.83	64%	0.642	S	S	*	*			trans	-76.3	137.1	178.6	-76.2	170.9	174	171.4	0	110.4
492	G	40.7	Very low	54.4	Low	85 Å²	85	123.4 Å²	123.4	88%	0.876	65%	0.651	S	S	*	*			trans	49.5	71.9	144.1	0	0	0	0	0	117.3
493	S	27.4	Very low	54.5	Low	100 Å²	100	123.4 Å²	123.4	70%	0.699	65%	0.65	S	S	*	*			trans	-137.9	119.7	148.9	57.4	0	0	0	0	108.7	E495	S493-E495 PolarHBondContact O-N 3.26Å
494	T	34.3	Very low	54.8	Low	147 Å²	147	121.2 Å²	121.2	90%	0.902	64%	0.639	S	S	*	*			trans	-81.3	66	172.1	-40.1	0	0	0	0	108
495	E	31.8	Very low	55.7	Low	176 Å²	176	113 Å²	113	82%	0.822	61%	0.61	S	S	*	*			trans	-124	104.2	163	-75.2	-167.9	162.6	0	0	106.9	S493 S497	S493-E495 PolarHBondContact O-N 3.26Å; E495-S497 PolarHBondContact O-N 2.83Å
496	V	35.7	Very low	57.5	Low	124 Å²	124	107.4 Å²	107.4	75%	0.752	58%	0.579	S	S	*	*			trans	-61.2	118.4	179	177	0	0	0	0	107.6	D498	V496-D498 PolarHBondContact O-N 2.87Å
497	S	41.3	Very low	60	Low	101 Å²	101	98.3 Å²	98.3	71%	0.706	55%	0.545	S	S	*	.			trans	-59.2	125.2	163.9	57.2	0	0	0	0	108.5	E495 E499	E495-S497 PolarHBondContact O-N 2.83Å; S497-E499 VanDerWaalsContact C-N 3.33Å; S497-E499 PolarHBondContact O-N 2.99Å; S497-E499 VanDerWaalsContact O-N 3.07Å
498	D	55.3	Low	62.6	Low	158 Å²	158	93.6 Å²	93.6	85%	0.845	51%	0.513	S	S	*	.	S	Bend	trans	-63.2	-18.8	-154.5	-107.1	-24.6	0	0	0	117.3	V496	V496-D498 PolarHBondContact O-N 2.87Å
499	E	64	Low	65.2	Low	112 Å²	112	86.2 Å²	86.2	52%	0.523	48%	0.481	S	S	.	.	S	Bend	trans	-147.4	134	173.6	-72.5	-87.2	144.3	0	0	109.8	S497 I596	S497-E499 VanDerWaalsContact C-N 3.33Å; S497-E499 PolarHBondContact O-N 2.99Å; S497-E499 VanDerWaalsContact O-N 3.07Å; E499-I596 HydrophobicContact CB-CD1 4.44Å
500	D	80.4	Confident	67.8	Low	63 Å²	63	78.2 Å²	78.2	34%	0.337	45%	0.445	S	S	.	.			trans	-70.5	127.6	172.7	178.7	-27.9	0	0	0	108.8	A456 F502 A503	A456-D500 VanDerWaalsContact O-CB 3.3Å; A456-D500 WeakPolarHBondContact O-CB 3.36Å; D500-F502 PolarHBondContact O-N 2.88Å; D500-F502 WeakPolarHBondContact OD1-CB 3.38Å; D500-F502 WeakPolarHBondContact OD1-CD2 3.22Å; D500-F502 PolarHBondContact OD1-N 2.62Å; D500-A503 VanDerWaalsContact O-CB 3.23Å; D500-A503 WeakPolarHBondContact O-CB 3.16Å; D500-A503 PolarHBondContact O-N 2.82Å
501	P	87.8	Confident	70.7	Confident	37 Å²	37	71.2 Å²	71.2	24%	0.24	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.9	-174.8	28.1	-38.4	0	0	0	113.6	S522 I596 L599	P501-S522 PolarHBondContact O-OG 2.83Å; P501-I596 HydrophobicContact CB-CG2 3.9Å; P501-L599 HydrophobicContact CB-CD2 3.93Å; P501-L599 HydrophobicContact CG-CD2 4.22Å
502	F	91.4	Very high	73.2	Confident	47 Å²	47	65.4 Å²	65.4	21%	0.206	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.8	175.7	-56.7	-67.7	0	0	0	113.7	G458 A479 F482 D500 I504 L599	G458-F502 WeakPolarHBondContact CA-O 3.48Å; G458-F502 PolarHBondContact N-O 2.72Å; A479-F502 HydrophobicContact CB-CD1 3.98Å; A479-F502 HydrophobicContact CB-CD2 4.22Å; A479-F502 HydrophobicContact CB-CE1 4.15Å; A479-F502 HydrophobicContact CB-CE2 4.39Å; A479-F502 HydrophobicContact CB-CG 4.04Å; A479-F502 HydrophobicContact CB-CZ 4.36Å; F482-F502 HydrophobicContact CB-CE1 3.95Å; F482-F502 AromaticContact CD2-CD1 3.87Å; F482-F502 HydrophobicContact CD2-CD1 3.87Å; F482-F502 AromaticContact CD2-CE1 3.62Å; F482-F502 HydrophobicContact CD2-CE1 3.62Å; F482-F502 HydrophobicContact CE2-CD1 4.31Å; F482-F502 HydrophobicContact CE2-CE1 4.45Å; F482-F502 HydrophobicContact CG-CE1 4.03Å; D500-F502 PolarHBondContact O-N 2.88Å; D500-F502 WeakPolarHBondContact OD1-CB 3.38Å; D500-F502 WeakPolarHBondContact OD1-CD2 3.22Å; D500-F502 PolarHBondContact OD1-N 2.62Å; F502-I504 PolarHBondContact O-N 2.97Å; F502-L599 HydrophobicContact CD1-CD1 3.51Å; F502-L599 HydrophobicContact CD1-CD2 4.18Å; F502-L599 HydrophobicContact CE1-CD1 3.61Å; F502-L599 HydrophobicContact CE1-CD2 3.58Å; F502-L599 HydrophobicContact CE1-CG 4.2Å; F502-L599 HydrophobicContact CZ-CD2 3.89Å
503	A	93.2	Very high	75.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.345	C	S	.	.			trans	-52.4	129.7	-174.9	0	0	0	0	0	112.5	A456 D500 G520 V521	A456-A503 HydrophobicContact CB-CB 4.39Å; A456-A503 WeakPolarHBondContact O-CA 3.28Å; A456-A503 WeakPolarHBondContact O-CB 3.18Å; A456-A503 PolarHBondContact O-N 3.01Å; D500-A503 VanDerWaalsContact O-CB 3.23Å; D500-A503 WeakPolarHBondContact O-CB 3.16Å; D500-A503 PolarHBondContact O-N 2.82Å; A503-G520 CarbonylContact O-C 3.51Å; A503-G520 VanDerWaalsContact O-CA 3.27Å; A503-G520 WeakPolarHBondContact O-CA 3.37Å; A503-V521 HydrophobicContact CB-CB 4.46Å; A503-V521 HydrophobicContact CB-CG1 3.8Å; A503-V521 HydrophobicContact CB-CG2 3.81Å; A503-V521 PolarHBondContact O-N 3.49Å
504	I	95	Very high	79	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.6	179	-52.6	-47.2	0	0	0	108.9	T400 H455 V460 T478 F502 M507 V518	T400-I504 WeakPolarHBondContact CB-O 3.44Å; T400-I504 PolarHBondContact OG1-O 2.8Å; H455-I504 PolarHBondContact O-N 2.91Å; V460-I504 HydrophobicContact CG2-CD1 4.37Å; V460-I504 HydrophobicContact CG2-CG1 4Å; V460-I504 HydrophobicContact CG2-CG2 4.49Å; T478-I504 HydrophobicContact CG2-CD1 3.8Å; F502-I504 PolarHBondContact O-N 2.97Å; I504-M507 HydrophobicContact CG2-CG 3.86Å; I504-M507 HydrophobicContact CG2-SD 4.24Å; I504-V518 HydrophobicContact CD1-CG1 3.54Å; I504-V518 HydrophobicContact CG1-CG1 4.26Å; I504-V518 HydrophobicContact CG2-CG1 3.67Å
505	Q	93.3	Very high	81.9	Confident	44 Å²	44	50.2 Å²	50.2	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-48.2	-178.3	-167.2	-163.5	-27.6	0	0	112.6	C401 A519 V521 Q630 I631	C401-Q505 WeakPolarHBondContact CB-O 3.42Å; Q505-A519 PolarHBondContact N-O 2.91Å; Q505-V521 HydrophobicContact CB-CG1 4.38Å; Q505-Q630 VanDerWaalsContact NE2-CD 3.34Å; Q505-I631 PolarHBondContact NE2-O 2.74Å
506	I	95.5	Very high	85.1	Confident	37 Å²	37	41.9 Å²	41.9	19%	0.19	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.5	-176.2	-52.2	177	0	0	0	108.3	A519 I631 L634	I506-A519 HydrophobicContact CB-CB 4.17Å; I506-A519 PolarHBondContact N-O 3.21Å; I506-A519 PolarHBondContact O-N 3.33Å; I506-I631 HydrophobicContact CD1-CG2 4.32Å; I506-I631 WeakPolarHBondContact CD1-O 3.47Å; I506-L634 HydrophobicContact CG2-CB 3.82Å; I506-L634 HydrophobicContact CG2-CD2 4.18Å
507	M	97	Very high	88	Confident	8 Å²	8	36 Å²	36	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.3	174	-61.3	-178	-63.6	0	0	109.4	E403 I452 V460 I504 C517	E403-M507 HydrophobicContact CG-CB 4.47Å; E403-M507 HydrophobicContact CG-CE 4.29Å; I452-M507 HydrophobicContact CB-CE 4.22Å; I452-M507 HydrophobicContact CG2-CE 3.74Å; I452-M507 HydrophobicContact CG2-SD 3.8Å; V460-M507 HydrophobicContact CG1-SD 3.69Å; V460-M507 HydrophobicContact CG2-SD 4.04Å; I504-M507 HydrophobicContact CG2-CG 3.86Å; I504-M507 HydrophobicContact CG2-SD 4.24Å; M507-C517 WeakPolarHBondContact CA-O 3.29Å
508	A	96.1	Very high	90.7	Very high	14 Å²	14	31.2 Å²	31.2	12%	0.116	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.1	167.3	0	0	0	0	0	107.9	C517 L634 M636	A508-C517 HydrophobicContact CB-CB 4.31Å; A508-C517 PolarHBondContact N-O 3.01Å; A508-C517 PolarHBondContact O-N 3.44Å; A508-L634 HydrophobicContact CB-CD2 3.93Å; A508-L634 HydrophobicContact CB-CG 4.05Å; A508-M636 HydrophobicContact CB-CG 4.26Å
509	W	96.3	Very high	92.7	Very high	19 Å²	19	23.7 Å²	23.7	7%	0.072	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.1	-173.8	-177.7	57	0	0	0	110.7	F405 L412 F416 I450 I452 F462 P511 L516 Y612	F405-W509 HydrophobicContact CB-CZ3 4.21Å; F405-W509 HydrophobicContact CD1-CE3 4.21Å; F405-W509 HydrophobicContact CD1-CZ3 4.33Å; F405-W509 AromaticContact CD2-CE3 3.52Å; F405-W509 HydrophobicContact CD2-CE3 3.52Å; F405-W509 AromaticContact CD2-CZ3 3.57Å; F405-W509 HydrophobicContact CD2-CZ3 3.57Å; F405-W509 HydrophobicContact CE1-CE3 4.11Å; F405-W509 HydrophobicContact CE2-CD2 4.44Å; F405-W509 AromaticContact CE2-CE3 3.39Å; F405-W509 HydrophobicContact CE2-CE3 3.39Å; F405-W509 AromaticContact CE2-CZ3 3.96Å; F405-W509 HydrophobicContact CE2-CZ3 3.96Å; F405-W509 AromaticContact CG-CE3 3.94Å; F405-W509 HydrophobicContact CG-CE3 3.94Å; F405-W509 AromaticContact CG-CZ3 3.77Å; F405-W509 HydrophobicContact CG-CZ3 3.77Å; F405-W509 HydrophobicContact CZ-CB 4.34Å; F405-W509 AromaticContact CZ-CE3 3.73Å; F405-W509 HydrophobicContact CZ-CE3 3.73Å; L412-W509 HydrophobicContact CD1-CH2 3.95Å; L412-W509 HydrophobicContact CD1-CZ2 4.27Å; L412-W509 HydrophobicContact CD2-CZ2 4.19Å; F416-W509 HydrophobicContact CE2-CZ2 4.19Å; F416-W509 HydrophobicContact CZ-CZ2 4.17Å; I450-W509 HydrophobicContact CB-CH2 4.46Å; I450-W509 HydrophobicContact CB-CZ3 4.49Å; I450-W509 HydrophobicContact CD1-CH2 3.78Å; I450-W509 HydrophobicContact CG2-CH2 4.2Å; I450-W509 HydrophobicContact CG2-CZ3 4.25Å; I452-W509 HydrophobicContact CD1-CB 4.15Å; I452-W509 HydrophobicContact CD1-CD2 3.63Å; I452-W509 HydrophobicContact CD1-CE3 3.57Å; I452-W509 HydrophobicContact CD1-CG 3.9Å; I452-W509 HydrophobicContact CD1-CZ3 4.12Å; F462-W509 HydrophobicContact CE1-CZ2 4.29Å; W509-P511 HydrophobicContact CD2-CG 4.35Å; W509-P511 HydrophobicContact CE3-CB 4.4Å; W509-P511 HydrophobicContact CE3-CG 3.75Å; W509-P511 HydrophobicContact CH2-CB 3.85Å; W509-P511 HydrophobicContact CH2-CG 4.03Å; W509-P511 HydrophobicContact CZ2-CB 4.19Å; W509-P511 HydrophobicContact CZ3-CB 3.97Å; W509-P511 HydrophobicContact CZ3-CG 3.6Å; W509-L516 HydrophobicContact CB-CD1 4.04Å; W509-L516 HydrophobicContact CG-CD1 4.34Å; W509-Y612 AromaticContact NE1-CZ 3.92Å; W509-Y612 PolarHBondContact NE1-OH 3.04Å
510	C	95.3	Very high	94.1	Very high	16 Å²	16	18.4 Å²	18.4	11%	0.108	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.5	172.8	172.2	0	0	0	0	108.7	E512 S513 R514 M515 M636	C510-E512 VanDerWaalsContact C-N 3.27Å; C510-E512 PolarHBondContact O-N 3.17Å; C510-E512 PolarHBondContact SG-OE2 3.24Å; C510-S513 VanDerWaalsContact CB-OG 3.27Å; C510-S513 WeakPolarHBondContact CB-OG 3.07Å; C510-S513 PolarHBondContact O-N 3.18Å; C510-S513 PolarHBondContact SG-OG 3.15Å; C510-R514 VanDerWaalsContact O-CA 3.28Å; C510-R514 WeakPolarHBondContact O-CA 3.38Å; C510-R514 PolarHBondContact O-N 2.61Å; C510-M515 PolarHBondContact N-O 3.15Å; C510-M636 HydrophobicContact CB-SD 4.16Å
511	P	94.1	Very high	94.6	Very high	14 Å²	14	16.5 Å²	16.5	9%	0.091	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.3	-178.8	-21.4	28.1	0	0	0	113.6	F405 P409 L412 W509	F405-P511 HydrophobicContact CD1-CG 4.24Å; P409-P511 HydrophobicContact CG-CB 4.25Å; L412-P511 HydrophobicContact CD1-CB 3.83Å; W509-P511 HydrophobicContact CD2-CG 4.35Å; W509-P511 HydrophobicContact CE3-CB 4.4Å; W509-P511 HydrophobicContact CE3-CG 3.75Å; W509-P511 HydrophobicContact CH2-CB 3.85Å; W509-P511 HydrophobicContact CH2-CG 4.03Å; W509-P511 HydrophobicContact CZ2-CB 4.19Å; W509-P511 HydrophobicContact CZ3-CB 3.97Å; W509-P511 HydrophobicContact CZ3-CG 3.6Å
512	E	92.3	Very high	94.8	Very high	70 Å²	70	15 Å²	15	33%	0.327	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-40.1	-172.5	-57.7	76.2	-164.5	0	0	112.3	C510 F873 W876	C510-E512 VanDerWaalsContact C-N 3.27Å; C510-E512 PolarHBondContact O-N 3.17Å; C510-E512 PolarHBondContact SG-OE2 3.24Å; E512-F873 HydrophobicContact CB-CB 4.3Å; E512-F873 HydrophobicContact CB-CD1 4.31Å; E512-F873 HydrophobicContact CB-CD2 3.37Å; E512-F873 HydrophobicContact CB-CE2 3.67Å; E512-F873 HydrophobicContact CB-CG 3.74Å; E512-F873 HydrophobicContact CB-CZ 4.26Å; E512-F873 HydrophobicContact CG-CD1 4.01Å; E512-F873 HydrophobicContact CG-CD2 3.83Å; E512-F873 HydrophobicContact CG-CE1 3.95Å; E512-F873 HydrophobicContact CG-CE2 3.77Å; E512-F873 HydrophobicContact CG-CG 3.97Å; E512-F873 HydrophobicContact CG-CZ 3.83Å; E512-W876 WeakPolarHBondContact O-CB 3.41Å; E512-W876 PolarHBondContact O-N 2.96Å
513	S	93.4	Very high	94.7	Very high	7 Å²	7	12.9 Å²	12.9	5%	0.049	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.5	177.2	68.1	0	0	0	0	113.4	C510 M515 S638 E874	C510-S513 VanDerWaalsContact CB-OG 3.27Å; C510-S513 WeakPolarHBondContact CB-OG 3.07Å; C510-S513 PolarHBondContact O-N 3.18Å; C510-S513 PolarHBondContact SG-OG 3.15Å; S513-M515 PolarHBondContact O-N 3.37Å; S513-M515 WeakPolarHBondContact OG-CB 2.92Å; S513-M515 WeakPolarHBondContact OG-CG 3.49Å; S513-M515 PolarHBondContact OG-N 2.86Å; S513-S638 VanDerWaalsContact CB-CB 3.42Å; S513-S638 WeakPolarHBondContact CB-OG 3.34Å; S513-S638 WeakPolarHBondContact OG-CB 3.25Å; S513-S638 PolarHBondContact OG-OG 3.16Å; S513-E874 WeakPolarHBondContact CA-O 3.37Å; S513-E874 WeakPolarHBondContact CB-O 3.49Å; S513-E874 PolarHBondContact N-O 3.32Å
514	R	95.4	Very high	94.7	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.011	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	36.2	-170.2	-49.7	-177.6	-174.5	157.4	2.3	113.1	D411 L412 C510 F530 Y612 W876	D411-R514 IonicContact OD1-NH2 3.57Å; D411-R514 PolarHBondContact OD1-NH2 3.29Å; D411-R514 IonicContact OD2-CZ 3.47Å; D411-R514 IonicContact OD2-NH2 2.86Å; D411-R514 PolarHBondContact OD2-NH2 2.86Å; L412-R514 HydrophobicContact CD2-CG 3.74Å; C510-R514 VanDerWaalsContact O-CA 3.28Å; C510-R514 WeakPolarHBondContact O-CA 3.38Å; C510-R514 PolarHBondContact O-N 2.61Å; R514-F530 HydrophobicContact CB-CB 3.6Å; R514-F530 HydrophobicContact CB-CG 4.28Å; R514-F530 PolarHBondContact O-N 3.2Å; R514-Y612 VanDerWaalsContact O-CE1 3.25Å; R514-Y612 WeakPolarHBondContact O-CE1 3.49Å; R514-W876 HydrophobicContact CB-CG 4.26Å; R514-W876 HydrophobicContact CG-CB 4.02Å; R514-W876 HydrophobicContact CG-CG 3.9Å
515	M	95.8	Very high	94.8	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.015	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.8	169.7	-66.9	-66.3	-66.9	0	0	109.1	C510 S513 I527 R529 M636 Y656	C510-M515 PolarHBondContact N-O 3.15Å; S513-M515 PolarHBondContact O-N 3.37Å; S513-M515 WeakPolarHBondContact OG-CB 2.92Å; S513-M515 WeakPolarHBondContact OG-CG 3.49Å; S513-M515 PolarHBondContact OG-N 2.86Å; M515-I527 HydrophobicContact CE-CG2 3.7Å; M515-R529 HydrophobicContact SD-CB 3.9Å; M515-R529 HydrophobicContact SD-CG 3.83Å; M515-M636 HydrophobicContact CB-CE 3.97Å; M515-M636 HydrophobicContact CB-SD 3.67Å; M515-Y656 HydrophobicContact CE-CE2 4.14Å
516	L	97.8	Very high	95.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.4	179.3	173.4	70.9	0	0	0	109.5	F462 L476 W509 V518 Y528 Y612	F462-L516 HydrophobicContact CE2-CD2 4.28Å; F462-L516 HydrophobicContact CZ-CD1 4.5Å; F462-L516 HydrophobicContact CZ-CD2 4.05Å; L476-L516 HydrophobicContact CD2-CD2 3.79Å; W509-L516 HydrophobicContact CB-CD1 4.04Å; W509-L516 HydrophobicContact CG-CD1 4.34Å; L516-V518 HydrophobicContact CD1-CG2 4.27Å; L516-V518 HydrophobicContact CD2-CG2 3.89Å; L516-V518 HydrophobicContact CG-CG2 3.82Å; L516-Y528 HydrophobicContact CD2-CD2 4.4Å; L516-Y528 PolarHBondContact N-O 3.49Å; L516-Y528 PolarHBondContact O-N 3.49Å; L516-Y612 HydrophobicContact CB-CD1 3.84Å; L516-Y612 HydrophobicContact CB-CE1 3.47Å; L516-Y612 VanDerWaalsContact CB-CE1 3.47Å; L516-Y612 HydrophobicContact CD2-CD1 4.25Å; L516-Y612 HydrophobicContact CD2-CD2 4.18Å; L516-Y612 HydrophobicContact CD2-CE1 4.31Å; L516-Y612 HydrophobicContact CD2-CE2 4.25Å; L516-Y612 HydrophobicContact CD2-CG 4.19Å
517	C	97.8	Very high	95.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.4	166.6	-82	0	0	0	0	110.4	M507 A508 V525 I526 L634 M636 L643	M507-C517 WeakPolarHBondContact CA-O 3.29Å; A508-C517 HydrophobicContact CB-CB 4.31Å; A508-C517 PolarHBondContact N-O 3.01Å; A508-C517 PolarHBondContact O-N 3.44Å; C517-V525 HydrophobicContact CB-CG1 4.36Å; C517-I526 VanDerWaalsContact CA-O 3.31Å; C517-I526 WeakPolarHBondContact CA-O 3.14Å; C517-L634 HydrophobicContact CB-CD2 4.04Å; C517-M636 HydrophobicContact CB-CE 3.58Å; C517-M636 WeakPolarHBondContact SG-CE 3.5Å; C517-L643 HydrophobicContact CB-CD1 4.24Å; C517-L643 VanDerWaalsContact SG-CD1 3.57Å
518	V	97.9	Very high	95.2	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.006	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.2	-179.3	-174.6	0	0	0	0	108.7	V460 T478 I504 L516 V525 I526 Y528	V460-V518 HydrophobicContact CG2-CG1 4.32Å; V460-V518 HydrophobicContact CG2-CG2 4.31Å; T478-V518 HydrophobicContact CG2-CG1 4.19Å; I504-V518 HydrophobicContact CD1-CG1 3.54Å; I504-V518 HydrophobicContact CG1-CG1 4.26Å; I504-V518 HydrophobicContact CG2-CG1 3.67Å; L516-V518 HydrophobicContact CD1-CG2 4.27Å; L516-V518 HydrophobicContact CD2-CG2 3.89Å; L516-V518 HydrophobicContact CG-CG2 3.82Å; V518-V525 CarbonylContact O-C 3.19Å; V518-V525 WeakPolarHBondContact O-CA 3.31Å; V518-I526 PolarHBondContact N-O 2.8Å; V518-I526 PolarHBondContact O-N 3.28Å; V518-Y528 HydrophobicContact CB-CE2 4.43Å; V518-Y528 HydrophobicContact CG2-CD2 4.14Å; V518-Y528 HydrophobicContact CG2-CE2 4.05Å
519	A	96.8	Very high	95.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.5	172.1	0	0	0	0	0	110.2	Q505 I506 N524 V525 I631 L634	Q505-A519 PolarHBondContact N-O 2.91Å; I506-A519 HydrophobicContact CB-CB 4.17Å; I506-A519 PolarHBondContact N-O 3.21Å; I506-A519 PolarHBondContact O-N 3.33Å; A519-N524 CarbonylContact C-O 3.56Å; A519-N524 VanDerWaalsContact CA-O 3.25Å; A519-N524 WeakPolarHBondContact CA-O 3.17Å; A519-V525 HydrophobicContact CB-CG2 4.28Å; A519-I631 HydrophobicContact CB-CD1 4.01Å; A519-I631 HydrophobicContact CB-CG2 4.38Å; A519-L634 HydrophobicContact CB-CD2 4.17Å
520	G	93.9	Very high	95.2	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	162.6	176.9	0	0	0	0	0	113	A503 S522 A523 N524	A503-G520 CarbonylContact O-C 3.51Å; A503-G520 VanDerWaalsContact O-CA 3.27Å; A503-G520 WeakPolarHBondContact O-CA 3.37Å; G520-S522 PolarHBondContact O-N 3.29Å; G520-A523 PolarHBondContact O-N 2.87Å; G520-A523 VanDerWaalsContact O-N 3.16Å; G520-N524 PolarHBondContact N-O 3.47Å
521	V	91.5	Very high	95.2	Very high	23 Å²	23	9 Å²	9	14%	0.139	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	176.8	-65.2	0	0	0	0	113.4	A503 Q505 A523 I596	A503-V521 HydrophobicContact CB-CB 4.46Å; A503-V521 HydrophobicContact CB-CG1 3.8Å; A503-V521 HydrophobicContact CB-CG2 3.81Å; A503-V521 PolarHBondContact O-N 3.49Å; Q505-V521 HydrophobicContact CB-CG1 4.38Å; V521-A523 PolarHBondContact O-N 3.2Å; V521-A523 VanDerWaalsContact O-N 3.13Å; V521-I596 HydrophobicContact CB-CD1 4.34Å; V521-I596 HydrophobicContact CG2-CD1 4.22Å
522	S	90.3	Very high	95.1	Very high	6 Å²	6	12.4 Å²	12.4	4%	0.042	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	24.5	175.3	-58.7	0	0	0	0	113.7	P501 G520 N524 I596 Q619	P501-S522 PolarHBondContact O-OG 2.83Å; G520-S522 PolarHBondContact O-N 3.29Å; S522-N524 PolarHBondContact O-N 3.15Å; S522-N524 VanDerWaalsContact O-N 3.15Å; S522-I596 WeakPolarHBondContact OG-CG2 3.18Å; S522-Q619 PolarHBondContact O-NE2 3Å
523	A	90.4	Very high	95.1	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.017	6%	0.061	C	C	.	.	S	Bend	trans	53	33.3	178.9	0	0	0	0	0	114.8	G520 V521 S620 P628	G520-A523 PolarHBondContact O-N 2.87Å; G520-A523 VanDerWaalsContact O-N 3.16Å; V521-A523 PolarHBondContact O-N 3.2Å; V521-A523 VanDerWaalsContact O-N 3.13Å; A523-S620 WeakPolarHBondContact O-CB 3.35Å; A523-S620 PolarHBondContact O-N 3.32Å; A523-S620 VanDerWaalsContact O-N 3.1Å; A523-S620 PolarHBondContact O-OG 2.81Å; A523-P628 HydrophobicContact CB-CB 3.76Å; A523-P628 HydrophobicContact CB-CG 3.89Å
524	N	93.8	Very high	95	Very high	5 Å²	5	17 Å²	17	3%	0.027	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.5	176.3	66	-72.8	0	0	0	110.4	F482 A519 G520 S522 V618 Q619	F482-N524 HydrophobicContact CZ-CB 4.46Å; A519-N524 CarbonylContact C-O 3.56Å; A519-N524 VanDerWaalsContact CA-O 3.25Å; A519-N524 WeakPolarHBondContact CA-O 3.17Å; G520-N524 PolarHBondContact N-O 3.47Å; S522-N524 PolarHBondContact O-N 3.15Å; S522-N524 VanDerWaalsContact O-N 3.15Å; N524-V618 CarbonylContact C-O 3.55Å; N524-V618 WeakPolarHBondContact CA-O 3.49Å; N524-Q619 VanDerWaalsContact CB-OE1 3.27Å
525	V	97.1	Very high	95	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.7	169.5	-172.3	0	0	0	0	109	C517 V518 A519 V618 I631 L634 L643 F645	C517-V525 HydrophobicContact CB-CG1 4.36Å; V518-V525 CarbonylContact O-C 3.19Å; V518-V525 WeakPolarHBondContact O-CA 3.31Å; A519-V525 HydrophobicContact CB-CG2 4.28Å; V525-V618 HydrophobicContact CB-CB 4.29Å; V525-V618 PolarHBondContact N-O 3.06Å; V525-V618 PolarHBondContact O-N 3.5Å; V525-I631 HydrophobicContact CG2-CD1 3.36Å; V525-L634 HydrophobicContact CG1-CD1 3.95Å; V525-L634 HydrophobicContact CG2-CD1 4.31Å; V525-L643 HydrophobicContact CB-CD2 4.39Å; V525-L643 HydrophobicContact CG1-CD1 4.4Å; V525-L643 HydrophobicContact CG1-CD2 3.75Å; V525-F645 HydrophobicContact CG2-CB 4.46Å; V525-F645 HydrophobicContact CG2-CD1 4.41Å; V525-F645 HydrophobicContact CG2-CG 4.22Å
526	I	97.9	Very high	94.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.5	177.8	-47.5	173.4	0	0	0	108.6	T478 V481 F482 C517 V518 Y528 V614 V617	T478-I526 HydrophobicContact CG2-CD1 4.27Å; V481-I526 HydrophobicContact CG2-CD1 4.44Å; F482-I526 HydrophobicContact CE2-CD1 3.86Å; F482-I526 HydrophobicContact CZ-CD1 3.92Å; F482-I526 HydrophobicContact CZ-CG1 4.47Å; C517-I526 VanDerWaalsContact CA-O 3.31Å; C517-I526 WeakPolarHBondContact CA-O 3.14Å; V518-I526 PolarHBondContact N-O 2.8Å; V518-I526 PolarHBondContact O-N 3.28Å; I526-Y528 HydrophobicContact CB-CD2 4.3Å; I526-Y528 HydrophobicContact CB-CE2 3.65Å; I526-Y528 HydrophobicContact CD1-CE2 4.47Å; I526-Y528 HydrophobicContact CG2-CD2 3.91Å; I526-Y528 HydrophobicContact CG2-CE1 4.12Å; I526-Y528 HydrophobicContact CG2-CE2 3.32Å; I526-Y528 VanDerWaalsContact CG2-CZ 3.42Å; I526-V614 HydrophobicContact CG2-CB 4.42Å; I526-V614 HydrophobicContact CG2-CG2 3.63Å; I526-V617 HydrophobicContact CG2-CG2 4.33Å
527	I	98	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.1	175.2	-45.8	-173.6	0	0	0	108.3	M515 D615 L616 L643 Y656	M515-I527 HydrophobicContact CE-CG2 3.7Å; I527-D615 PolarHBondContact O-N 2.93Å; I527-L616 HydrophobicContact CB-CB 4.36Å; I527-L616 HydrophobicContact CD1-CB 4.14Å; I527-L616 HydrophobicContact CD1-CD2 4.04Å; I527-L616 HydrophobicContact CD1-CG 4.47Å; I527-L616 HydrophobicContact CG1-CB 4.32Å; I527-L616 PolarHBondContact N-O 3.36Å; I527-L643 HydrophobicContact CD1-CB 4.31Å; I527-L643 HydrophobicContact CD1-CD2 3.68Å; I527-L643 HydrophobicContact CG1-CD2 3.99Å; I527-Y656 VanDerWaalsContact CD1-CB 3.44Å; I527-Y656 HydrophobicContact CD1-CD1 4.15Å; I527-Y656 HydrophobicContact CD1-CG 4.01Å
528	Y	97.8	Very high	94.3	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.3	178.4	-67.9	-85.5	0	0	0	111.5	L476 T478 L516 V518 I526 Q613 V614	L476-Y528 HydrophobicContact CD1-CD1 4.45Å; L476-Y528 HydrophobicContact CD1-CE1 4.03Å; L476-Y528 HydrophobicContact CD2-CD1 4.31Å; L476-Y528 HydrophobicContact CD2-CD2 4.04Å; L476-Y528 HydrophobicContact CD2-CE1 4.19Å; L476-Y528 HydrophobicContact CD2-CE2 3.85Å; L476-Y528 HydrophobicContact CD2-CG 4.26Å; T478-Y528 HydrophobicContact CG2-CE2 4.46Å; L516-Y528 HydrophobicContact CD2-CD2 4.4Å; L516-Y528 PolarHBondContact N-O 3.49Å; L516-Y528 PolarHBondContact O-N 3.49Å; V518-Y528 HydrophobicContact CB-CE2 4.43Å; V518-Y528 HydrophobicContact CG2-CD2 4.14Å; V518-Y528 HydrophobicContact CG2-CE2 4.05Å; I526-Y528 HydrophobicContact CB-CD2 4.3Å; I526-Y528 HydrophobicContact CB-CE2 3.65Å; I526-Y528 HydrophobicContact CD1-CE2 4.47Å; I526-Y528 HydrophobicContact CG2-CD2 3.91Å; I526-Y528 HydrophobicContact CG2-CE1 4.12Å; I526-Y528 HydrophobicContact CG2-CE2 3.32Å; I526-Y528 VanDerWaalsContact CG2-CZ 3.42Å; Y528-Q613 CarbonylContact C-O 3.55Å; Y528-Q613 VanDerWaalsContact CA-O 3.26Å; Y528-Q613 WeakPolarHBondContact CA-O 3.19Å; Y528-V614 HydrophobicContact CD1-CB 4.32Å; Y528-V614 HydrophobicContact CE1-CB 4.04Å
529	R	95.9	Very high	94	Very high	46 Å²	46	33.5 Å²	33.5	17%	0.174	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.8	170.9	-171.2	176.8	-59.3	-95.1	-3.4	109.9	M515 Q613 D615 P879	M515-R529 HydrophobicContact SD-CB 3.9Å; M515-R529 HydrophobicContact SD-CG 3.83Å; R529-Q613 PolarHBondContact N-O 2.8Å; R529-Q613 PolarHBondContact O-N 3.26Å; R529-D615 IonicContact CZ-OD2 2.86Å; R529-D615 IonicContact NE-OD2 3.74Å; R529-D615 PolarHBondContact NE-OD2 3.18Å; R529-D615 IonicContact NH2-OD2 2.68Å; R529-D615 PolarHBondContact NH2-OD2 3.23Å; R529-D615 VanDerWaalsContact NH2-OD2 3.11Å; R529-P879 HydrophobicContact CG-CG 4.24Å
530	F	96.4	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.3	177.7	-173.1	-87.8	0	0	0	112	A415 F416 V419 R514 K532 G611 Y612 W876	A415-F530 HydrophobicContact CB-CE1 4.19Å; A415-F530 HydrophobicContact CB-CZ 4.19Å; F416-F530 HydrophobicContact CD1-CD2 4.36Å; F416-F530 AromaticContact CD1-CE2 3.67Å; F416-F530 HydrophobicContact CD1-CE2 3.67Å; F416-F530 HydrophobicContact CD1-CZ 4.43Å; F416-F530 AromaticContact CE1-CD2 3.85Å; F416-F530 HydrophobicContact CE1-CD2 3.85Å; F416-F530 AromaticContact CE1-CE2 3.63Å; F416-F530 HydrophobicContact CE1-CE2 3.63Å; V419-F530 HydrophobicContact CG1-CZ 4.08Å; V419-F530 HydrophobicContact CG2-CE2 3.86Å; V419-F530 HydrophobicContact CG2-CZ 3.84Å; R514-F530 HydrophobicContact CB-CB 3.6Å; R514-F530 HydrophobicContact CB-CG 4.28Å; R514-F530 PolarHBondContact O-N 3.2Å; F530-K532 HydrophobicContact CE1-CG 3.99Å; F530-G611 WeakPolarHBondContact CA-O 3.16Å; F530-Y612 HydrophobicContact CB-CD1 4.26Å; F530-Y612 HydrophobicContact CB-CE1 4.08Å; F530-Y612 HydrophobicContact CD2-CD2 4.39Å; F530-Y612 HydrophobicContact CD2-CE2 4.28Å; F530-W876 AromaticContact CD1-CE2 3.96Å; F530-W876 AromaticContact CD1-CZ2 3.99Å; F530-W876 HydrophobicContact CD1-CZ2 3.99Å; F530-W876 AromaticContact CD1-NE1 3.77Å; F530-W876 HydrophobicContact CE1-CZ2 4.39Å; F530-W876 PolarHBondContact O-NE1 3.12Å
531	S	95	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.6	178.2	164.9	0	0	0	0	110.5	L533 G611 E878 N880	S531-L533 VanDerWaalsContact C-N 3.3Å; S531-L533 PolarHBondContact OG-N 3.38Å; S531-L533 PolarHBondContact OG-O 3.1Å; S531-G611 PolarHBondContact N-O 2.92Å; S531-G611 PolarHBondContact O-N 3.12Å; S531-E878 WeakPolarHBondContact CA-OE1 3.37Å; S531-E878 PolarHBondContact OG-OE1 2.88Å; S531-N880 WeakPolarHBondContact CB-ND2 3.22Å; S531-N880 PolarHBondContact OG-ND2 2.89Å
532	K	92.4	Very high	94	Very high	86 Å²	86	40.3 Å²	40.3	37%	0.374	21%	0.206	S	C	.	.	S	Bend	trans	-85.4	-8.7	171.9	-59.8	179.1	178.7	178.4	0	112.5	F530 P610 W876 E878	F530-K532 HydrophobicContact CE1-CG 3.99Å; K532-P610 WeakPolarHBondContact O-CB 3.48Å; K532-W876 HydrophobicContact CD-CH2 4.23Å; K532-W876 HydrophobicContact CG-CH2 4.4Å; K532-E878 WeakPolarHBondContact CB-OE2 3.22Å; K532-E878 WeakPolarHBondContact CG-OE2 3.46Å; K532-E878 PolarHBondContact N-OE1 3.1Å; K532-E878 PolarHBondContact N-OE2 3.24Å
533	L	91.9	Very high	94.3	Very high	74 Å²	74	41.4 Å²	41.4	39%	0.387	21%	0.211	S	C	.	.	S	Bend	trans	-101.2	147.3	-179.5	-58.3	176.2	0	0	0	111.1	S531 Q613 E878 N880	S531-L533 VanDerWaalsContact C-N 3.3Å; S531-L533 PolarHBondContact OG-N 3.38Å; S531-L533 PolarHBondContact OG-O 3.1Å; L533-Q613 PolarHBondContact O-NE2 3.47Å; L533-E878 HydrophobicContact CD1-CG 4.18Å; L533-E878 HydrophobicContact CG-CG 4.49Å; L533-N880 HydrophobicContact CB-CB 4.13Å; L533-N880 HydrophobicContact CD1-CB 4.01Å; L533-N880 WeakPolarHBondContact CD1-O 3.27Å
534	E	92.3	Very high	94.4	Very high	101 Å²	101	45.9 Å²	45.9	47%	0.472	23%	0.232	S	C	.	.			trans	-76	141.8	171.5	-174.7	175.3	114.3	0	0	109.7	K607 Q608 P610	E534-K607 WeakPolarHBondContact OE1-CE 3.27Å; E534-K607 IonicContact OE1-NZ 3.74Å; E534-K607 PolarHBondContact OE1-NZ 3Å; E534-K607 IonicContact OE2-NZ 2.88Å; E534-Q608 WeakPolarHBondContact CG-O 3.34Å; E534-P610 HydrophobicContact CB-CG 4.4Å
535	V	93.8	Very high	94.4	Very high	39 Å²	39	45.8 Å²	45.8	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.6	176.7	73.8	0	0	0	0	110.8	Q608 Q613	V535-Q608 HydrophobicContact CG1-CB 4Å; V535-Q608 HydrophobicContact CG1-CG 4.45Å; V535-Q608 PolarHBondContact N-O 2.82Å; V535-Q608 VanDerWaalsContact N-O 3.07Å; V535-Q608 PolarHBondContact O-N 2.83Å; V535-Q613 HydrophobicContact CG1-CG 4.45Å
536	T	94.2	Very high	94	Very high	73 Å²	73	53 Å²	53	45%	0.448	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.7	166.5	-59.5	0	0	0	0	108.2	P605	T536-P605 HydrophobicContact CG2-CB 4.21Å
537	T	92	Very high	93.3	Very high	34 Å²	34	53.6 Å²	53.6	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.2	176	-57.5	0	0	0	0	108.5	V539 P605 L606 Q608	T537-V539 WeakPolarHBondContact CG2-O 3.47Å; T537-V539 PolarHBondContact O-N 3.26Å; T537-P605 CarbonylContact O-C 3.52Å; T537-P605 WeakPolarHBondContact O-CA 3.2Å; T537-L606 PolarHBondContact N-O 3.14Å; T537-L606 PolarHBondContact O-N 3.28Å; T537-Q608 PolarHBondContact OG1-NE2 2.94Å
538	E	91.4	Very high	92	Very high	126 Å²	126	59.6 Å²	59.6	59%	0.589	29%	0.289	S	S	*	.	S	Bend	trans	-59.5	-45.9	-177.4	-67	-58.7	142.3	0	0	112.5	P605	E538-P605 WeakPolarHBondContact O-CA 3.18Å; E538-P605 WeakPolarHBondContact OE2-CG 3.34Å
539	V	91.1	Very high	90.2	Very high	81 Å²	81	63.4 Å²	63.4	49%	0.491	30%	0.304	S	S	.	.	S	Bend	trans	-136.9	122	178.3	-177.9	0	0	0	0	109.3	T537 Q541	T537-V539 WeakPolarHBondContact CG2-O 3.47Å; T537-V539 PolarHBondContact O-N 3.26Å; V539-Q541 PolarHBondContact O-N 3.13Å; V539-Q541 PolarHBondContact O-NE2 2.97Å
540	V	92.8	Very high	88.3	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.042	33%	0.328	C	S	.	.			trans	-66.8	124.8	171.5	179.3	0	0	0	0	108.3	V481 L542 V601 L606 V614 V617	V481-V540 HydrophobicContact CG1-CG1 4.05Å; V540-L542 PolarHBondContact O-N 3.39Å; V540-V601 HydrophobicContact CB-CG1 4.04Å; V540-V601 HydrophobicContact CG1-CG1 3.83Å; V540-L606 HydrophobicContact CG2-CB 4.21Å; V540-L606 HydrophobicContact CG2-CD2 3.87Å; V540-V614 HydrophobicContact CG1-CG1 4.13Å; V540-V614 HydrophobicContact CG1-CG2 4.11Å; V540-V614 HydrophobicContact CG2-CG1 4.15Å; V540-V617 HydrophobicContact CG1-CG2 3.7Å
541	Q	94.3	Very high	86	Confident	83 Å²	83	73.7 Å²	73.7	39%	0.388	36%	0.357	S	S	.	.			trans	-72.1	130.4	-179.5	-60.3	-66.1	-56.1	0	0	110.1	V539 L616 V617 K659	V539-Q541 PolarHBondContact O-N 3.13Å; V539-Q541 PolarHBondContact O-NE2 2.97Å; Q541-L616 HydrophobicContact CB-CD1 3.82Å; Q541-V617 PolarHBondContact O-N 3.18Å; Q541-K659 HydrophobicContact CB-CD 4.34Å; Q541-K659 HydrophobicContact CG-CD 4.11Å
542	L	95.3	Very high	83.3	Confident	77 Å²	77	80.8 Å²	80.8	40%	0.403	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	178.9	171.1	59.8	0	0	0	109.4	V540 E544 V601 V617 Q619	V540-L542 PolarHBondContact O-N 3.39Å; L542-E544 HydrophobicContact CD2-CG 4.45Å; L542-E544 HydrophobicContact CG-CG 4.36Å; L542-V601 HydrophobicContact CD1-CG2 3.98Å; L542-V601 HydrophobicContact CD2-CB 4.34Å; L542-V601 HydrophobicContact CD2-CG2 4.32Å; L542-V617 CarbonylContact C-O 3.59Å; L542-V617 WeakPolarHBondContact CA-O 3.09Å; L542-V617 HydrophobicContact CD1-CB 4.39Å; L542-V617 HydrophobicContact CD1-CG1 4.25Å; L542-Q619 HydrophobicContact CD1-CB 3.67Å
543	L	95.9	Very high	80.6	Confident	29 Å²	29	84.6 Å²	84.6	15%	0.152	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.1	169.8	-176.7	65.4	0	0	0	109.2	L616 V617 V618 Q619 V654 V661	L543-L616 HydrophobicContact CB-CD1 4.14Å; L543-V617 PolarHBondContact N-O 3.42Å; L543-V618 CarbonylContact O-C 3.58Å; L543-V618 VanDerWaalsContact O-CA 3.3Å; L543-V618 WeakPolarHBondContact O-CA 3.41Å; L543-Q619 PolarHBondContact O-N 2.76Å; L543-V654 HydrophobicContact CD2-CG1 3.65Å; L543-V654 HydrophobicContact CD2-CG2 4.13Å; L543-V661 HydrophobicContact CD1-CG2 4.23Å; L543-V661 HydrophobicContact CD2-CG2 3.76Å; L543-V661 HydrophobicContact CG-CG2 4.02Å
544	E	94	Very high	77.9	Confident	97 Å²	97	87.3 Å²	87.3	45%	0.453	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.4	176	-65.5	-173.7	160.2	0	0	110.8	L542 Q619 V621	L542-E544 HydrophobicContact CD2-CG 4.45Å; L542-E544 HydrophobicContact CG-CG 4.36Å; E544-Q619 WeakPolarHBondContact CA-O 3.47Å; E544-V621 HydrophobicContact CB-CG1 3.87Å; E544-V621 HydrophobicContact CG-CG1 3.82Å
545	V	92.6	Very high	75	Confident	2 Å²	2	91 Å²	91	1%	0.012	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128	179.6	-174.5	0	0	0	0	110	M547 V618 Q619 S620 V621 F645 A652 V661	V545-M547 HydrophobicContact CG1-CG 4.32Å; V545-V618 HydrophobicContact CG2-CG1 3.41Å; V545-V618 VanDerWaalsContact CG2-CG1 3.41Å; V545-Q619 PolarHBondContact N-O 2.89Å; V545-S620 WeakPolarHBondContact O-CA 3.22Å; V545-V621 PolarHBondContact O-N 3.32Å; V545-V621 VanDerWaalsContact O-N 3.08Å; V545-F645 HydrophobicContact CB-CZ 4.13Å; V545-F645 HydrophobicContact CG1-CZ 4.09Å; V545-F645 HydrophobicContact CG2-CZ 4.02Å; V545-A652 HydrophobicContact CG1-CB 3.81Å; V545-V661 HydrophobicContact CG2-CG2 3.72Å
546	R	88.6	Confident	72	Confident	154 Å²	154	94.4 Å²	94.4	58%	0.581	48%	0.477	S	S	*	.			trans	-109.5	91.9	-179.7	-70	177.2	-174.8	-178.1	2.4	110.1	Q548 V621 V623 N664	R546-Q548 PolarHBondContact O-N 3.38Å; R546-Q548 VanDerWaalsContact O-N 3.16Å; R546-V621 HydrophobicContact CB-CG2 4.46Å; R546-V621 HydrophobicContact CG-CG2 3.35Å; R546-V623 HydrophobicContact CB-CG2 3.93Å; R546-V623 HydrophobicContact CG-CG2 4.26Å; R546-N664 PolarHBondContact O-ND2 3.26Å
547	M	84.3	Confident	69.6	Low	13 Å²	13	96.4 Å²	96.4	6%	0.064	49%	0.491	C	S	.	.			trans	-80.2	95.1	173.7	-70.2	-179	174.3	0	0	109.3	V545 F645 N647 N649 A652	V545-M547 HydrophobicContact CG1-CG 4.32Å; M547-F645 HydrophobicContact CE-CD2 3.76Å; M547-F645 HydrophobicContact CE-CE2 3.36Å; M547-F645 HydrophobicContact CE-CZ 3.94Å; M547-F645 HydrophobicContact SD-CE2 4.43Å; M547-N647 VanDerWaalsContact SD-CG 3.57Å; M547-N647 PolarHBondContact SD-ND2 2.84Å; M547-N647 PolarHBondContact SD-OD1 2.9Å; M547-N649 HydrophobicContact CB-CB 4.3Å; M547-A652 HydrophobicContact CE-CB 3.41Å; M547-A652 VanDerWaalsContact CE-CB 3.41Å; M547-A652 VanDerWaalsContact CE-N 3.34Å
548	Q	70.7	Confident	66.8	Low	125 Å²	125	102.8 Å²	102.8	58%	0.584	52%	0.524	S	S	*	.			trans	-68.8	142	177.1	-77.5	173.9	-18.1	0	0	111.1	R546 V623	R546-Q548 PolarHBondContact O-N 3.38Å; R546-Q548 VanDerWaalsContact O-N 3.16Å; Q548-V623 HydrophobicContact CB-CG1 4.46Å; Q548-V623 HydrophobicContact CG-CG1 3.71Å
549	Y	60.3	Low	63.9	Low	85 Å²	85	100.4 Å²	100.4	33%	0.333	53%	0.533	S	S	.	.			trans	-111.8	111.5	170.4	178.7	-107.4	0	0	0	107.5	L551 R789	Y549-L551 HydrophobicContact CD1-CD1 4.14Å; Y549-L551 HydrophobicContact CD1-CG 4.26Å; Y549-L551 HydrophobicContact CE1-CB 4.39Å; Y549-L551 HydrophobicContact CE1-CD1 3.49Å; Y549-L551 VanDerWaalsContact CE1-CD1 3.49Å; Y549-L551 HydrophobicContact CE1-CG 3.47Å; Y549-L551 VanDerWaalsContact CE1-CG 3.47Å; Y549-R789 PolarHBondContact OH-NE 3.16Å
550	E	56.2	Low	61	Low	145 Å²	145	100.7 Å²	100.7	68%	0.678	55%	0.553	S	S	*	*			trans	-89.1	110.5	172.5	-70	-169.6	165.6	0	0	109.4
551	L	47.9	Very low	58.1	Low	116 Å²	116	104.4 Å²	104.4	61%	0.607	59%	0.592	S	S	*	*			trans	-83.2	118.6	159.2	-100.9	148.6	0	0	0	106.7	Y549 E553	Y549-L551 HydrophobicContact CD1-CD1 4.14Å; Y549-L551 HydrophobicContact CD1-CG 4.26Å; Y549-L551 HydrophobicContact CE1-CB 4.39Å; Y549-L551 HydrophobicContact CE1-CD1 3.49Å; Y549-L551 VanDerWaalsContact CE1-CD1 3.49Å; Y549-L551 HydrophobicContact CE1-CG 3.47Å; Y549-L551 VanDerWaalsContact CE1-CG 3.47Å; L551-E553 PolarHBondContact O-N 2.93Å
552	N	38.5	Very low	55	Low	150 Å²	150	104 Å²	104	80%	0.802	61%	0.61	S	S	*	*			trans	-64.2	86.4	163.9	-85.5	-27.3	0	0	0	108.6	T554	N552-T554 PolarHBondContact O-N 2.74Å
553	E	34	Very low	52	Low	166 Å²	166	108.8 Å²	108.8	78%	0.776	63%	0.63	S	S	*	*			trans	-65.1	118.6	159.5	-75.2	-160.6	163.4	0	0	107.6	L551 E555	L551-E553 PolarHBondContact O-N 2.93Å; E553-E555 PolarHBondContact O-N 2.89Å
554	T	35.5	Very low	48.9	Very low	131 Å²	131	115.2 Å²	115.2	80%	0.804	66%	0.66	S	S	*	*			trans	-73.2	84.7	172.2	-40.7	0	0	0	0	106.8	N552 S556	N552-T554 PolarHBondContact O-N 2.74Å; T554-S556 PolarHBondContact O-N 2.87Å; T554-S556 VanDerWaalsContact O-N 3.11Å
555	E	31.6	Very low	45.7	Very low	179 Å²	179	116.6 Å²	116.6	84%	0.836	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59	116.4	170.4	-84.9	-170.1	153.2	0	0	108.9	E553	E553-E555 PolarHBondContact O-N 2.89Å
556	S	30.6	Very low	42.7	Very low	109 Å²	109	122 Å²	122	76%	0.762	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-85.2	123.9	169.8	-55.3	0	0	0	0	107.7	T554	T554-S556 PolarHBondContact O-N 2.87Å; T554-S556 VanDerWaalsContact O-N 3.11Å
557	P	44.1	Very low	39.8	Very low	115 Å²	115	119.6 Å²	119.6	75%	0.747	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-86.3	118.5	174.6	32.1	-27.4	0	0	0	109.4
558	D	32.8	Very low	37.2	Very low	169 Å²	169	128 Å²	128	90%	0.904	77%	0.765	S	S	*	*				157.7	139.6	128	-93	-22.9	0	0	0	112.6
559	G	30.5	Very low	36	Very low	76 Å²	76	127.3 Å²	127.3	78%	0.784	77%	0.771	S	S	*	*			trans	158.1	56.9	155.6	0	0	0	0	0	119.7
560	G	31.3	Very low	34.5	Very low	87 Å²	87	130.1 Å²	130.1	90%	0.897	80%	0.797	S	S	*	*			trans	73.4	146.8	154.8	0	0	0	0	0	116.6
561	G	31.4	Very low	33.6	Very low	84 Å²	84	129.3 Å²	129.3	87%	0.866	81%	0.805	S	S	*	*			cis	155.8	131	9.7	0	0	0	0	0	105.8
562	G	30.2	Very low	32.8	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	81%	0.813	S	S	*	*			trans	148	95.5	173.3	0	0	0	0	0	115
563	E	31.8	Very low	32.4	Very low	178 Å²	178	125.4 Å²	125.4	83%	0.832	82%	0.817	S	S	*	*			trans	26.1	127.8	139.1	-62.6	-176.9	164.6	0	0	118.4
564	Q	29.9	Very low	32.4	Very low	165 Å²	165	123 Å²	123	77%	0.771	82%	0.818	S	S	*	*				-172.6	129.7	63.9	-125.3	161.3	37.4	0	0	112.2
565	T	28	Very low	32.4	Very low	125 Å²	125	122.7 Å²	122.7	77%	0.767	82%	0.819	S	S	*	*			trans	45	123.2	139.1	55.6	0	0	0	0	124.3
566	S	28.1	Very low	32.4	Very low	117 Å²	117	122.9 Å²	122.9	82%	0.818	82%	0.82	S	S	*	*			trans	-36.2	149.3	159.8	56.7	0	0	0	0	121.3
567	A	27.4	Very low	32.8	Very low	103 Å²	103	124.6 Å²	124.6	85%	0.851	83%	0.826	S	S	*	*				-158.3	137.9	124.1	0	0	0	0	0	112.4
568	H	29.8	Very low	32.2	Very low	190 Å²	190	124.8 Å²	124.8	88%	0.88	83%	0.83	S	S	*	*			trans	-103.7	-178.5	-179.3	-119	-44.5	0	0	0	110.1
569	P	45.4	Very low	32.2	Very low	109 Å²	109	119.8 Å²	119.8	71%	0.708	82%	0.818	S	S	*	*				-107.2	168.6	-123.6	41.7	-33	0	0	0	115.7
570	T	29	Very low	32.5	Very low	144 Å²	144	122 Å²	122	88%	0.883	82%	0.818	S	S	*	*			trans	-140.8	143.4	154.9	14.8	0	0	0	0	112.5
571	P	38.8	Very low	32.6	Very low	129 Å²	129	123.6 Å²	123.6	84%	0.838	81%	0.813	S	S	*	*			trans	-99.3	143.2	-172.1	36.8	-29.3	0	0	0	112.4
572	G	31.2	Very low	32.5	Very low	76 Å²	76	125 Å²	125	78%	0.784	81%	0.81	S	S	*	*			trans	166	127.7	166.1	0	0	0	0	0	115.3
573	A	29.5	Very low	32.5	Very low	108 Å²	108	130.1 Å²	130.1	89%	0.893	81%	0.813	S	S	*	*			trans	90	124.7	163.5	0	0	0	0	0	118.8
574	S	33	Very low	32.3	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	81%	0.81	S	S	*	*			trans	-69.3	168.1	-174.5	43	0	0	0	0	115.4
575	P	36.1	Very low	32.1	Very low	125 Å²	125	124 Å²	124	81%	0.812	81%	0.806	S	S	*	*			trans	-89.8	138.8	-153.4	34.7	-31.3	0	0	0	113.1
576	Q	31.3	Very low	32.4	Very low	184 Å²	184	124.7 Å²	124.7	86%	0.86	81%	0.81	S	S	*	*			trans	-120.6	112.2	159.1	-79.7	-169.6	-18.9	0	0	109.7	S578	Q576-S578 PolarHBondContact O-N 3.49Å
577	T	39.2	Very low	32.6	Very low	145 Å²	145	123.6 Å²	123.6	89%	0.89	80%	0.802	S	S	*	*			trans	9.8	103.8	147.8	52.7	0	0	0	0	117.1
578	S	30.7	Very low	32.8	Very low	119 Å²	119	123.6 Å²	123.6	83%	0.832	80%	0.796	S	S	*	*			trans	-126.3	135.6	154.1	53.6	0	0	0	0	108.7	Q576	Q576-S578 PolarHBondContact O-N 3.49Å
579	G	33	Very low	33.1	Very low	63 Å²	63	122.2 Å²	122.2	65%	0.649	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.6	173.5	-171.4	0	0	0	0	0	114.6
580	P	37.1	Very low	32.6	Very low	123 Å²	123	124.3 Å²	124.3	80%	0.799	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.6	141.8	-179.7	26.3	-32.3	0	0	0	110.7	S582	P580-S582 PolarHBondContact O-N 3.04Å
581	P	33.1	Very low	33.2	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-63.4	133.9	176.7	25.5	-31	0	0	0	110	H583	P581-H583 PolarHBondContact O-N 3.02Å
582	S	29.2	Very low	33.1	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-56.2	127.2	177.4	48.4	0	0	0	0	112	P580	P580-S582 PolarHBondContact O-N 3.04Å
583	H	30.4	Very low	33.2	Very low	181 Å²	181	123.7 Å²	123.7	84%	0.838	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-52.2	134.3	171.3	-62.4	-85.9	0	0	0	111.9	P581 S585	P581-H583 PolarHBondContact O-N 3.02Å; H583-S585 PolarHBondContact O-N 3.19Å
584	P	27.8	Very low	33.8	Very low	119 Å²	119	122.8 Å²	122.8	77%	0.773	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.6	160	-7.8	23.3	0	0	0	108.1	T586	P584-T586 PolarHBondContact O-N 3.17Å
585	S	26.8	Very low	34.8	Very low	96 Å²	96	121.9 Å²	121.9	67%	0.671	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-55.6	120.3	171.6	44.6	0	0	0	0	110.8	H583 S587	H583-S585 PolarHBondContact O-N 3.19Å; S585-S587 PolarHBondContact O-N 3.16Å
586	T	33.7	Very low	35.9	Very low	140 Å²	140	119.2 Å²	119.2	86%	0.859	75%	0.754	S	S	*	*	S	Bend	trans	-70.3	56.6	167.3	34	0	0	0	0	111.3	P584	P584-T586 PolarHBondContact O-N 3.17Å
587	S	33.1	Very low	37.5	Very low	93 Å²	93	114.6 Å²	114.6	65%	0.65	74%	0.741	S	S	*	*			trans	-128.2	60.6	171.8	65.8	0	0	0	0	109.7	S585	S585-S587 PolarHBondContact O-N 3.16Å
588	S	31.8	Very low	39.2	Very low	103 Å²	103	109.9 Å²	109.9	72%	0.72	71%	0.713	S	S	*	*			trans	-90	98.7	158.7	53.9	0	0	0	0	107.8	N590	S588-N590 PolarHBondContact O-N 2.07Å
589	N	35.3	Very low	41.9	Very low	162 Å²	162	105.3 Å²	105.3	87%	0.866	68%	0.679	S	S	*	*			trans	-55.2	121.9	155.3	-85.1	-11.3	0	0	0	107.2
590	N	34.8	Very low	44.6	Very low	152 Å²	152	109.2 Å²	109.2	81%	0.813	68%	0.678	S	S	*	*			trans	-138.2	111.4	162.5	-104.3	-0.4	0	0	0	110.3	S588 D592	S588-N590 PolarHBondContact O-N 2.07Å; N590-D592 PolarHBondContact O-N 3.08Å
591	S	41.8	Very low	47.2	Very low	112 Å²	112	104.2 Å²	104.2	78%	0.783	65%	0.645	S	S	*	*			trans	-68.4	103.3	159.3	43.5	0	0	0	0	109.7
592	D	35.4	Very low	50	Low	167 Å²	167	101.4 Å²	101.4	89%	0.893	62%	0.619	S	S	*	*			trans	175.6	123.9	134.5	-109	-21	0	0	0	110.2	N590	N590-D592 PolarHBondContact O-N 3.08Å
593	G	34	Very low	52.8	Low	58 Å²	58	100.2 Å²	100.2	60%	0.598	61%	0.611	S	S	*	*	S	Bend	trans	88.9	100.7	165.4	0	0	0	0	0	117.8	N595	G593-N595 VanDerWaalsContact C-N 3.28Å; G593-N595 PolarHBondContact O-N 3.04Å
594	G	41.8	Very low	55.6	Low	88 Å²	88	94.2 Å²	94.2	91%	0.907	59%	0.589	S	S	*	*			trans	53.7	-6.8	141.9	0	0	0	0	0	123.2
595	N	53.8	Low	58.7	Low	96 Å²	96	92 Å²	92	51%	0.513	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-89.6	129.6	-170.4	-71.8	-34.7	0	0	0	112.7	G593	G593-N595 VanDerWaalsContact C-N 3.28Å; G593-N595 PolarHBondContact O-N 3.04Å
596	I	59.3	Low	61.9	Low	68 Å²	68	87.7 Å²	87.7	35%	0.349	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-64.4	122.5	174	-58.3	173.8	0	0	0	108.5	E499 P501 V521 S522	E499-I596 HydrophobicContact CB-CD1 4.44Å; P501-I596 HydrophobicContact CB-CG2 3.9Å; V521-I596 HydrophobicContact CB-CD1 4.34Å; V521-I596 HydrophobicContact CG2-CD1 4.22Å; S522-I596 WeakPolarHBondContact OG-CG2 3.18Å
597	P	65.4	Low	64.8	Low	88 Å²	88	87.3 Å²	87.3	57%	0.571	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-69.7	144.3	-176.2	26.9	-33.5	0	0	0	111.9	L599	P597-L599 PolarHBondContact O-N 3.04Å
598	C	74.4	Confident	67.6	Low	46 Å²	46	83.8 Å²	83.8	31%	0.311	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-58.5	127.2	170	-66.5	0	0	0	0	109.6	K600 W622	C598-K600 PolarHBondContact O-N 3.02Å; C598-W622 VanDerWaalsContact SG-CD1 3.58Å; C598-W622 PolarHBondContact SG-NE1 3.48Å
599	L	87.4	Confident	70.5	Confident	23 Å²	23	81.6 Å²	81.6	12%	0.12	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-70.7	130.8	179.2	-68.3	173.6	0	0	0	110.7	F482 P501 F502 P597 V601	F482-L599 HydrophobicContact CD1-CB 3.43Å; F482-L599 VanDerWaalsContact CD1-CB 3.43Å; F482-L599 HydrophobicContact CD1-CD1 4.24Å; F482-L599 HydrophobicContact CD1-CG 4.45Å; F482-L599 HydrophobicContact CD2-CD1 3.91Å; F482-L599 HydrophobicContact CE1-CB 3.6Å; F482-L599 HydrophobicContact CE1-CD1 4.11Å; F482-L599 HydrophobicContact CE2-CD1 3.77Å; F482-L599 HydrophobicContact CG-CB 3.92Å; F482-L599 HydrophobicContact CG-CD1 4.14Å; F482-L599 HydrophobicContact CZ-CB 4.23Å; F482-L599 HydrophobicContact CZ-CD1 3.88Å; P501-L599 HydrophobicContact CB-CD2 3.93Å; P501-L599 HydrophobicContact CG-CD2 4.22Å; F502-L599 HydrophobicContact CD1-CD1 3.51Å; F502-L599 HydrophobicContact CD1-CD2 4.18Å; F502-L599 HydrophobicContact CE1-CD1 3.61Å; F502-L599 HydrophobicContact CE1-CD2 3.58Å; F502-L599 HydrophobicContact CE1-CG 4.2Å; F502-L599 HydrophobicContact CZ-CD2 3.89Å; P597-L599 PolarHBondContact O-N 3.04Å; L599-V601 PolarHBondContact O-N 2.76Å
600	K	90.4	Very high	73.3	Confident	144 Å²	144	74.4 Å²	74.4	63%	0.626	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-77.7	117.2	176.2	-173.2	176.9	177.2	-174.3	0	110.4	F482 D483 C598	F482-K600 CarbonylContact C-O 3.58Å; F482-K600 VanDerWaalsContact CA-O 3.3Å; F482-K600 WeakPolarHBondContact CA-O 3.38Å; F482-K600 WeakPolarHBondContact CB-O 3.11Å; D483-K600 HydrophobicContact CB-CB 4.45Å; D483-K600 PolarHBondContact N-O 2.81Å; D483-K600 WeakPolarHBondContact OD2-CD 3.48Å; D483-K600 WeakPolarHBondContact OD2-CE 3.34Å; D483-K600 IonicContact OD2-NZ 3.84Å; C598-K600 PolarHBondContact O-N 3.02Å
601	V	92.1	Very high	76.2	Confident	18 Å²	18	67.1 Å²	67.1	11%	0.109	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-68.4	139	175.8	-179.9	0	0	0	0	110.3	F482 V540 L542 L599 S603 V617	F482-V601 HydrophobicContact CD1-CG2 4.08Å; F482-V601 HydrophobicContact CE1-CG2 3.91Å; V540-V601 HydrophobicContact CB-CG1 4.04Å; V540-V601 HydrophobicContact CG1-CG1 3.83Å; L542-V601 HydrophobicContact CD1-CG2 3.98Å; L542-V601 HydrophobicContact CD2-CB 4.34Å; L542-V601 HydrophobicContact CD2-CG2 4.32Å; L599-V601 PolarHBondContact O-N 2.76Å; V601-S603 PolarHBondContact O-N 3.29Å; V601-V617 HydrophobicContact CG1-CG2 4.36Å; V601-V617 HydrophobicContact CG2-CB 4.27Å; V601-V617 HydrophobicContact CG2-CG1 3.77Å
602	R	91.6	Very high	78.9	Confident	61 Å²	61	62.1 Å²	62.1	23%	0.23	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-62.5	131.9	-179.5	178.6	179.1	-63.5	-171.3	4.5	111.6	K480 V481 D483 S604	K480-R602 PolarHBondContact O-NE 2.75Å; K480-R602 PolarHBondContact O-NH2 2.89Å; V481-R602 WeakPolarHBondContact O-CB 3.3Å; V481-R602 PolarHBondContact O-N 3.21Å; D483-R602 WeakPolarHBondContact OD1-CA 3.36Å; R602-S604 WeakPolarHBondContact CD-O 3.36Å; R602-S604 WeakPolarHBondContact CD-OG 3.47Å; R602-S604 WeakPolarHBondContact CG-O 3.44Å; R602-S604 VanDerWaalsContact CG-OG 3.3Å; R602-S604 WeakPolarHBondContact CG-OG 3.31Å
603	S	87.3	Confident	81.8	Confident	90 Å²	90	54.7 Å²	54.7	63%	0.629	34%	0.336	S	S	*	.			trans	-100.3	-6.7	173	59.3	0	0	0	0	114.6	V601	V601-S603 PolarHBondContact O-N 3.29Å
604	S	89.6	Confident	84.7	Confident	55 Å²	55	52.4 Å²	52.4	39%	0.385	31%	0.31	S	S	.	.	S	Bend	trans	-91.5	155.4	177.1	53.7	0	0	0	0	112.6	R602 L606	R602-S604 WeakPolarHBondContact CD-O 3.36Å; R602-S604 WeakPolarHBondContact CD-OG 3.47Å; R602-S604 WeakPolarHBondContact CG-O 3.44Å; R602-S604 VanDerWaalsContact CG-OG 3.3Å; R602-S604 WeakPolarHBondContact CG-OG 3.31Å; S604-L606 PolarHBondContact O-N 3.38Å
605	P	92.8	Very high	87.3	Confident	71 Å²	71	50 Å²	50	46%	0.461	28%	0.277	S	S	.	.			trans	-52.4	128.8	178	-28.8	35.6	0	0	0	112.7	T536 T537 E538	T536-P605 HydrophobicContact CG2-CB 4.21Å; T537-P605 CarbonylContact O-C 3.52Å; T537-P605 WeakPolarHBondContact O-CA 3.2Å; E538-P605 WeakPolarHBondContact O-CA 3.18Å; E538-P605 WeakPolarHBondContact OE2-CG 3.34Å
606	L	93.5	Very high	89.3	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108	-178.6	178.8	65.2	0	0	0	109.8	K480 T537 V540 S604 Q608 V614	K480-L606 HydrophobicContact CB-CD1 4.48Å; T537-L606 PolarHBondContact N-O 3.14Å; T537-L606 PolarHBondContact O-N 3.28Å; V540-L606 HydrophobicContact CG2-CB 4.21Å; V540-L606 HydrophobicContact CG2-CD2 3.87Å; S604-L606 PolarHBondContact O-N 3.38Å; L606-Q608 HydrophobicContact CD2-CG 3.99Å; L606-Q608 HydrophobicContact CG-CG 3.83Å; L606-Q608 PolarHBondContact O-N 2.81Å; L606-V614 HydrophobicContact CD2-CG1 3.77Å
607	K	94.4	Very high	91.1	Very high	132 Å²	132	42.3 Å²	42.3	57%	0.574	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73	118.1	168.2	-178.1	172.9	173.8	148.8	0	110.2	E534	E534-K607 WeakPolarHBondContact OE1-CE 3.27Å; E534-K607 IonicContact OE1-NZ 3.74Å; E534-K607 PolarHBondContact OE1-NZ 3Å; E534-K607 IonicContact OE2-NZ 2.88Å
608	Q	93.3	Very high	92.6	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.084	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.5	-176.4	-52.8	-160.1	75.6	0	0	110.8	E534 V535 T537 L606 Q613 V614	E534-Q608 WeakPolarHBondContact CG-O 3.34Å; V535-Q608 HydrophobicContact CG1-CB 4Å; V535-Q608 HydrophobicContact CG1-CG 4.45Å; V535-Q608 PolarHBondContact N-O 2.82Å; V535-Q608 VanDerWaalsContact N-O 3.07Å; V535-Q608 PolarHBondContact O-N 2.83Å; T537-Q608 PolarHBondContact OG1-NE2 2.94Å; L606-Q608 HydrophobicContact CD2-CG 3.99Å; L606-Q608 HydrophobicContact CG-CG 3.83Å; L606-Q608 PolarHBondContact O-N 2.81Å; Q608-Q613 HydrophobicContact CB-CB 4.4Å; Q608-Q613 HydrophobicContact CB-CG 3.95Å; Q608-V614 PolarHBondContact NE2-O 3.48Å
609	S	92.8	Very high	93.5	Very high	57 Å²	57	36.3 Å²	36.3	40%	0.399	20%	0.196	S	C	.	.			trans	-63.9	162	174.3	52.5	0	0	0	0	111.6	Q613	S609-Q613 PolarHBondContact O-NE2 3.18Å
610	P	94.3	Very high	93.7	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.071	19%	0.192	C	C	.	.	S	Bend	trans	-50.1	146.6	166.2	-27.9	36.8	0	0	0	112.5	V419 K532 E534	V419-P610 HydrophobicContact CB-CB 4.03Å; V419-P610 HydrophobicContact CG1-CB 3.62Å; K532-P610 WeakPolarHBondContact O-CB 3.48Å; E534-P610 HydrophobicContact CB-CG 4.4Å
611	G	95.6	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.4	-143	-172.9	0	0	0	0	0	111.8	F530 S531	F530-G611 WeakPolarHBondContact CA-O 3.16Å; S531-G611 PolarHBondContact N-O 2.92Å; S531-G611 PolarHBondContact O-N 3.12Å
612	Y	97.1	Very high	93.3	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.7	177.6	-77.8	-71.4	0	0	0	111.7	F416 F462 Y474 W509 R514 L516 F530	F416-Y612 HydrophobicContact CE1-CD2 4.38Å; F416-Y612 AromaticContact CE1-CE2 3.51Å; F416-Y612 HydrophobicContact CE1-CE2 3.51Å; F416-Y612 AromaticContact CZ-CE2 3.96Å; F416-Y612 HydrophobicContact CZ-CE2 3.96Å; F416-Y612 WeakPolarHBondContact CZ-OH 3.45Å; F462-Y612 HydrophobicContact CD2-CE2 4.34Å; F462-Y612 AromaticContact CE1-CE2 3.84Å; F462-Y612 HydrophobicContact CE1-CE2 3.84Å; F462-Y612 AromaticContact CE2-CD2 3.98Å; F462-Y612 HydrophobicContact CE2-CD2 3.98Å; F462-Y612 AromaticContact CE2-CE2 3.52Å; F462-Y612 HydrophobicContact CE2-CE2 3.52Å; F462-Y612 HydrophobicContact CZ-CD2 4.1Å; F462-Y612 AromaticContact CZ-CE2 3.24Å; F462-Y612 HydrophobicContact CZ-CE2 3.24Å; F462-Y612 AromaticContact CZ-CZ 3.78Å; Y474-Y612 HydrophobicContact CD1-CD2 4.06Å; Y474-Y612 AromaticContact CE1-CD2 3.63Å; Y474-Y612 HydrophobicContact CE1-CD2 3.63Å; Y474-Y612 HydrophobicContact CE1-CG 4.46Å; Y474-Y612 PolarHBondContact OH-N 2.86Å; W509-Y612 AromaticContact NE1-CZ 3.92Å; W509-Y612 PolarHBondContact NE1-OH 3.04Å; R514-Y612 VanDerWaalsContact O-CE1 3.25Å; R514-Y612 WeakPolarHBondContact O-CE1 3.49Å; L516-Y612 HydrophobicContact CB-CD1 3.84Å; L516-Y612 HydrophobicContact CB-CE1 3.47Å; L516-Y612 VanDerWaalsContact CB-CE1 3.47Å; L516-Y612 HydrophobicContact CD2-CD1 4.25Å; L516-Y612 HydrophobicContact CD2-CD2 4.18Å; L516-Y612 HydrophobicContact CD2-CE1 4.31Å; L516-Y612 HydrophobicContact CD2-CE2 4.25Å; L516-Y612 HydrophobicContact CD2-CG 4.19Å; F530-Y612 HydrophobicContact CB-CD1 4.26Å; F530-Y612 HydrophobicContact CB-CE1 4.08Å; F530-Y612 HydrophobicContact CD2-CD2 4.39Å; F530-Y612 HydrophobicContact CD2-CE2 4.28Å
613	Q	96.4	Very high	92.8	Very high	11 Å²	11	32.6 Å²	32.6	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.9	-177.9	-60.6	178.2	-15.4	0	0	109.7	Y528 R529 L533 V535 Q608 S609 D615 N880	Y528-Q613 CarbonylContact C-O 3.55Å; Y528-Q613 VanDerWaalsContact CA-O 3.26Å; Y528-Q613 WeakPolarHBondContact CA-O 3.19Å; R529-Q613 PolarHBondContact N-O 2.8Å; R529-Q613 PolarHBondContact O-N 3.26Å; L533-Q613 PolarHBondContact O-NE2 3.47Å; V535-Q613 HydrophobicContact CG1-CG 4.45Å; Q608-Q613 HydrophobicContact CB-CB 4.4Å; Q608-Q613 HydrophobicContact CB-CG 3.95Å; S609-Q613 PolarHBondContact O-NE2 3.18Å; Q613-D615 PolarHBondContact O-N 2.51Å; Q613-N880 PolarHBondContact OE1-ND2 2.8Å; Q613-N880 VanDerWaalsContact OE1-ND2 3.11Å
614	V	96.5	Very high	92.5	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.6	-178.2	65.2	0	0	0	0	110	V481 I526 Y528 V540 L606 Q608 V617	V481-V614 HydrophobicContact CG1-CG2 4.38Å; V481-V614 HydrophobicContact CG2-CB 4.29Å; V481-V614 HydrophobicContact CG2-CG1 4.45Å; V481-V614 HydrophobicContact CG2-CG2 4.44Å; I526-V614 HydrophobicContact CG2-CB 4.42Å; I526-V614 HydrophobicContact CG2-CG2 3.63Å; Y528-V614 HydrophobicContact CD1-CB 4.32Å; Y528-V614 HydrophobicContact CE1-CB 4.04Å; V540-V614 HydrophobicContact CG1-CG1 4.13Å; V540-V614 HydrophobicContact CG1-CG2 4.11Å; V540-V614 HydrophobicContact CG2-CG1 4.15Å; L606-V614 HydrophobicContact CD2-CG1 3.77Å; Q608-V614 PolarHBondContact NE2-O 3.48Å; V614-V617 HydrophobicContact CG2-CG2 3.99Å
615	D	94.5	Very high	91.8	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.203	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-48.3	175.7	-163	1.2	0	0	0	110	I527 R529 Q613	I527-D615 PolarHBondContact O-N 2.93Å; R529-D615 IonicContact CZ-OD2 2.86Å; R529-D615 IonicContact NE-OD2 3.74Å; R529-D615 PolarHBondContact NE-OD2 3.18Å; R529-D615 IonicContact NH2-OD2 2.68Å; R529-D615 PolarHBondContact NH2-OD2 3.23Å; R529-D615 VanDerWaalsContact NH2-OD2 3.11Å; Q613-D615 PolarHBondContact O-N 2.51Å
616	L	96.9	Very high	91.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.4	-178.9	-178.9	63.6	0	0	0	111.3	I527 Q541 L543 V618 V654 K659	I527-L616 HydrophobicContact CB-CB 4.36Å; I527-L616 HydrophobicContact CD1-CB 4.14Å; I527-L616 HydrophobicContact CD1-CD2 4.04Å; I527-L616 HydrophobicContact CD1-CG 4.47Å; I527-L616 HydrophobicContact CG1-CB 4.32Å; I527-L616 PolarHBondContact N-O 3.36Å; Q541-L616 HydrophobicContact CB-CD1 3.82Å; L543-L616 HydrophobicContact CB-CD1 4.14Å; L616-V618 HydrophobicContact CD2-CG2 4.01Å; L616-V618 HydrophobicContact CG-CG2 4.15Å; L616-V654 HydrophobicContact CD2-CG1 4.04Å; L616-K659 HydrophobicContact CD1-CB 4.4Å; L616-K659 HydrophobicContact CD1-CG 4.37Å; L616-K659 HydrophobicContact CD2-CG 4.49Å
617	V	97.5	Very high	90.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.8	165.2	-176.5	0	0	0	0	108.6	V481 I526 V540 Q541 L542 L543 V601 V614	V481-V617 HydrophobicContact CG1-CG2 3.44Å; V481-V617 VanDerWaalsContact CG1-CG2 3.44Å; I526-V617 HydrophobicContact CG2-CG2 4.33Å; V540-V617 HydrophobicContact CG1-CG2 3.7Å; Q541-V617 PolarHBondContact O-N 3.18Å; L542-V617 CarbonylContact C-O 3.59Å; L542-V617 WeakPolarHBondContact CA-O 3.09Å; L542-V617 HydrophobicContact CD1-CB 4.39Å; L542-V617 HydrophobicContact CD1-CG1 4.25Å; L543-V617 PolarHBondContact N-O 3.42Å; V601-V617 HydrophobicContact CG1-CG2 4.36Å; V601-V617 HydrophobicContact CG2-CB 4.27Å; V601-V617 HydrophobicContact CG2-CG1 3.77Å; V614-V617 HydrophobicContact CG2-CG2 3.99Å
618	V	96.8	Very high	90.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.2	171.8	-172.6	0	0	0	0	107.8	N524 V525 L543 V545 L616 L643 F645 V654	N524-V618 CarbonylContact C-O 3.55Å; N524-V618 WeakPolarHBondContact CA-O 3.49Å; V525-V618 HydrophobicContact CB-CB 4.29Å; V525-V618 PolarHBondContact N-O 3.06Å; V525-V618 PolarHBondContact O-N 3.5Å; L543-V618 CarbonylContact O-C 3.58Å; L543-V618 VanDerWaalsContact O-CA 3.3Å; L543-V618 WeakPolarHBondContact O-CA 3.41Å; V545-V618 HydrophobicContact CG2-CG1 3.41Å; V545-V618 VanDerWaalsContact CG2-CG1 3.41Å; L616-V618 HydrophobicContact CD2-CG2 4.01Å; L616-V618 HydrophobicContact CG-CG2 4.15Å; V618-L643 HydrophobicContact CG2-CD2 4.24Å; V618-F645 HydrophobicContact CG1-CE1 3.75Å; V618-F645 HydrophobicContact CG1-CZ 3.83Å; V618-V654 HydrophobicContact CG1-CG2 4.24Å; V618-V654 HydrophobicContact CG2-CG1 4.25Å; V618-V654 HydrophobicContact CG2-CG2 4.37Å
619	Q	93.6	Very high	89.9	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.6	-177.7	-175.1	64.9	59.3	0	0	109.5	S522 N524 L542 L543 E544 V545 V621	S522-Q619 PolarHBondContact O-NE2 3Å; N524-Q619 VanDerWaalsContact CB-OE1 3.27Å; L542-Q619 HydrophobicContact CD1-CB 3.67Å; L543-Q619 PolarHBondContact O-N 2.76Å; E544-Q619 WeakPolarHBondContact CA-O 3.47Å; V545-Q619 PolarHBondContact N-O 2.89Å; Q619-V621 HydrophobicContact CG-CG1 4.44Å
620	S	90.7	Very high	89.6	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.7	166.2	-54.8	0	0	0	0	108.4	A523 V545	A523-S620 WeakPolarHBondContact O-CB 3.35Å; A523-S620 PolarHBondContact O-N 3.32Å; A523-S620 VanDerWaalsContact O-N 3.1Å; A523-S620 PolarHBondContact O-OG 2.81Å; V545-S620 WeakPolarHBondContact O-CA 3.22Å
621	V	88.8	Confident	89.6	Confident	23 Å²	23	35.6 Å²	35.6	14%	0.139	20%	0.203	C	C	.	.			trans	-110.9	165.1	-177.5	-59.7	0	0	0	0	111.5	E544 V545 R546 Q619	E544-V621 HydrophobicContact CB-CG1 3.87Å; E544-V621 HydrophobicContact CG-CG1 3.82Å; V545-V621 PolarHBondContact O-N 3.32Å; V545-V621 VanDerWaalsContact O-N 3.08Å; R546-V621 HydrophobicContact CB-CG2 4.46Å; R546-V621 HydrophobicContact CG-CG2 3.35Å; Q619-V621 HydrophobicContact CG-CG1 4.44Å
622	W	84.9	Confident	89.5	Confident	115 Å²	115	38.4 Å²	38.4	44%	0.436	22%	0.22	S	C	.	.			trans	-63	138.3	176.6	-70.2	59.1	0	0	0	110.5	C598 G625 E626 P627	C598-W622 VanDerWaalsContact SG-CD1 3.58Å; C598-W622 PolarHBondContact SG-NE1 3.48Å; W622-G625 VanDerWaalsContact CZ3-O 3.29Å; W622-G625 WeakPolarHBondContact CZ3-O 3.18Å; W622-E626 VanDerWaalsContact CA-O 3.29Å; W622-E626 WeakPolarHBondContact CA-O 3.13Å; W622-E626 VanDerWaalsContact CE3-C 3.47Å; W622-P627 HydrophobicContact CD2-CB 4.27Å; W622-P627 HydrophobicContact CE3-CB 4.41Å; W622-P627 HydrophobicContact CH2-CB 3.93Å; W622-P627 HydrophobicContact CH2-CG 4.43Å; W622-P627 HydrophobicContact CZ2-CB 3.75Å; W622-P627 HydrophobicContact CZ3-CB 4.25Å
623	V	81.7	Confident	89.5	Confident	25 Å²	25	38.5 Å²	38.5	15%	0.152	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-128.4	126.7	177.6	-177.2	0	0	0	0	107.9	R546 Q548 G625 E626	R546-V623 HydrophobicContact CB-CG2 3.93Å; R546-V623 HydrophobicContact CG-CG2 4.26Å; Q548-V623 HydrophobicContact CB-CG1 4.46Å; Q548-V623 HydrophobicContact CG-CG1 3.71Å; V623-G625 PolarHBondContact O-N 2.86Å; V623-G625 VanDerWaalsContact O-N 3.08Å; V623-E626 PolarHBondContact N-O 3.1Å; V623-E626 VanDerWaalsContact N-O 3.16Å; V623-E626 PolarHBondContact O-N 2.86Å
624	S	80.1	Confident	89.5	Confident	126 Å²	126	39 Å²	39	88%	0.881	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	30.7	178.6	-54	0	0	0	0	114.9	E626	S624-E626 VanDerWaalsContact C-N 3.3Å; S624-E626 PolarHBondContact O-N 2.98Å
625	G	75.6	Confident	89.6	Confident	61 Å²	61	39.3 Å²	39.3	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	0.5	-178.7	0	0	0	0	0	115	W622 V623	W622-G625 VanDerWaalsContact CZ3-O 3.29Å; W622-G625 WeakPolarHBondContact CZ3-O 3.18Å; V623-G625 PolarHBondContact O-N 2.86Å; V623-G625 VanDerWaalsContact O-N 3.08Å
626	E	78.9	Confident	89.6	Confident	88 Å²	88	38.5 Å²	38.5	41%	0.411	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-93.3	140.8	172	-64.8	-164.5	161.9	0	0	111.6	W622 V623 S624	W622-E626 VanDerWaalsContact CA-O 3.29Å; W622-E626 WeakPolarHBondContact CA-O 3.13Å; W622-E626 VanDerWaalsContact CE3-C 3.47Å; V623-E626 PolarHBondContact N-O 3.1Å; V623-E626 VanDerWaalsContact N-O 3.16Å; V623-E626 PolarHBondContact O-N 2.86Å; S624-E626 VanDerWaalsContact C-N 3.3Å; S624-E626 PolarHBondContact O-N 2.98Å
627	P	82.5	Confident	89.5	Confident	33 Å²	33	38.5 Å²	38.5	21%	0.214	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-67.2	154.1	174.3	29.5	-35.5	0	0	0	111.5	W622 Q629	W622-P627 HydrophobicContact CD2-CB 4.27Å; W622-P627 HydrophobicContact CE3-CB 4.41Å; W622-P627 HydrophobicContact CH2-CB 3.93Å; W622-P627 HydrophobicContact CH2-CG 4.43Å; W622-P627 HydrophobicContact CZ2-CB 3.75Å; W622-P627 HydrophobicContact CZ3-CB 4.25Å; P627-Q629 PolarHBondContact O-N 3.05Å
628	P	84.8	Confident	89.3	Confident	30 Å²	30	38.7 Å²	38.7	20%	0.195	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.5	135.6	175.4	27	-35	0	0	0	111	A523	A523-P628 HydrophobicContact CB-CB 3.76Å; A523-P628 HydrophobicContact CB-CG 3.89Å
629	Q	86.9	Confident	89	Confident	58 Å²	58	41 Å²	41	27%	0.271	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-73.2	149.5	177.2	-62.7	-60.8	-49.3	0	0	111.3	P627 N647 N649	P627-Q629 PolarHBondContact O-N 3.05Å; Q629-N647 HydrophobicContact CB-CB 4.08Å; Q629-N649 WeakPolarHBondContact CG-OD1 3.45Å
630	Q	88.2	Confident	89	Confident	108 Å²	108	41 Å²	41	51%	0.505	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-59.1	137.9	179.3	-169.9	174.1	24.8	0	0	111.4	Q505 T632 N647	Q505-Q630 VanDerWaalsContact NE2-CD 3.34Å; Q630-T632 PolarHBondContact O-N 2.76Å; Q630-N647 WeakPolarHBondContact O-CB 3.22Å
631	I	93.9	Very high	89.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-70.4	123.8	177.5	-61.1	173.9	0	0	0	108.2	Q505 I506 A519 V525 S633 F645	Q505-I631 PolarHBondContact NE2-O 2.74Å; I506-I631 HydrophobicContact CD1-CG2 4.32Å; I506-I631 WeakPolarHBondContact CD1-O 3.47Å; A519-I631 HydrophobicContact CB-CD1 4.01Å; A519-I631 HydrophobicContact CB-CG2 4.38Å; V525-I631 HydrophobicContact CG2-CD1 3.36Å; I631-S633 WeakPolarHBondContact CG2-O 3.33Å; I631-F645 HydrophobicContact CD1-CD2 4.19Å; I631-F645 HydrophobicContact CG1-CD2 4.27Å; I631-F645 HydrophobicContact CG2-CB 4.15Å
632	T	94.2	Very high	89.5	Confident	60 Å²	60	39.7 Å²	39.7	37%	0.368	23%	0.232	S	C	.	.			trans	-100.2	-23.2	-177.4	53.2	0	0	0	0	112.6	Q630 G646 N647 V792	Q630-T632 PolarHBondContact O-N 2.76Å; T632-G646 PolarHBondContact N-O 3.28Å; T632-G646 PolarHBondContact OG1-O 3.13Å; T632-G646 VanDerWaalsContact OG1-O 3.11Å; T632-N647 WeakPolarHBondContact OG1-CA 3.36Å; T632-V792 WeakPolarHBondContact CB-O 3.2Å; T632-V792 PolarHBondContact OG1-O 2.76Å
633	S	96.1	Very high	90	Very high	8 Å²	8	34.2 Å²	34.2	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	149.9	-178.3	50.6	0	0	0	0	111.5	I631 F645 G646 V792 F795	I631-S633 WeakPolarHBondContact CG2-O 3.33Å; S633-F645 VanDerWaalsContact O-CA 3.31Å; S633-F645 WeakPolarHBondContact O-CA 3.37Å; S633-G646 PolarHBondContact N-O 3.2Å; S633-G646 PolarHBondContact O-N 2.83Å; S633-G646 VanDerWaalsContact O-N 3.08Å; S633-V792 PolarHBondContact OG-O 3.04Å; S633-F795 WeakPolarHBondContact OG-CE2 3.12Å
634	L	97.3	Very high	90.8	Very high	22 Å²	22	33 Å²	33	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.5	-174.1	-175.7	70.1	0	0	0	109.5	I506 A508 C517 A519 V525 L643 V644 F645	I506-L634 HydrophobicContact CG2-CB 3.82Å; I506-L634 HydrophobicContact CG2-CD2 4.18Å; A508-L634 HydrophobicContact CB-CD2 3.93Å; A508-L634 HydrophobicContact CB-CG 4.05Å; C517-L634 HydrophobicContact CB-CD2 4.04Å; A519-L634 HydrophobicContact CB-CD2 4.17Å; V525-L634 HydrophobicContact CG1-CD1 3.95Å; V525-L634 HydrophobicContact CG2-CD1 4.31Å; L634-L643 HydrophobicContact CD1-CD1 3.6Å; L634-L643 HydrophobicContact CG-CD1 4.45Å; L634-V644 WeakPolarHBondContact CA-O 3.4Å; L634-F645 HydrophobicContact CD1-CB 3.86Å
635	A	96.8	Very high	91.6	Very high	16 Å²	16	27 Å²	27	13%	0.132	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.1	168.3	0	0	0	0	0	111.2	L643 V644 F795 F797	A635-L643 WeakPolarHBondContact O-CD1 3.29Å; A635-V644 HydrophobicContact CB-CG1 3.84Å; A635-V644 PolarHBondContact N-O 2.79Å; A635-V644 PolarHBondContact O-N 3.34Å; A635-F795 HydrophobicContact CB-CB 3.64Å; A635-F795 HydrophobicContact CB-CD2 4.47Å; A635-F795 HydrophobicContact CB-CG 4.48Å; A635-F797 HydrophobicContact CB-CD2 4.4Å; A635-F797 HydrophobicContact CB-CE2 4.3Å
636	M	95.5	Very high	92.6	Very high	21 Å²	21	24.1 Å²	24.1	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.6	173	60.9	156.7	54.2	0	0	110.6	A508 C510 M515 C517 L642 L643	A508-M636 HydrophobicContact CB-CG 4.26Å; C510-M636 HydrophobicContact CB-SD 4.16Å; M515-M636 HydrophobicContact CB-CE 3.97Å; M515-M636 HydrophobicContact CB-SD 3.67Å; C517-M636 HydrophobicContact CB-CE 3.58Å; C517-M636 WeakPolarHBondContact SG-CE 3.5Å; M636-L642 WeakPolarHBondContact CA-O 3.23Å; M636-L643 HydrophobicContact CB-CD1 4.48Å
637	N	95.2	Very high	93.2	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	113.7	166	-175.5	-62.8	0	0	0	109.1	S639 Y640 G641 L642 Y656 F797 S871 A872	N637-S639 VanDerWaalsContact C-N 3.34Å; N637-S639 PolarHBondContact O-N 2.92Å; N637-S639 WeakPolarHBondContact OD1-CB 3.33Å; N637-S639 PolarHBondContact OD1-N 2.89Å; N637-Y640 HydrophobicContact CB-CD2 3.88Å; N637-Y640 HydrophobicContact CB-CG 4.14Å; N637-Y640 VanDerWaalsContact CG-CD2 3.45Å; N637-Y640 PolarHBondContact O-N 3.33Å; N637-Y640 VanDerWaalsContact OD1-CG 3.25Å; N637-Y640 PolarHBondContact OD1-N 3.47Å; N637-G641 PolarHBondContact O-N 3.3Å; N637-G641 VanDerWaalsContact O-N 3.15Å; N637-L642 PolarHBondContact N-O 2.91Å; N637-L642 PolarHBondContact O-N 3.29Å; N637-Y656 PolarHBondContact O-OH 3.42Å; N637-F797 HydrophobicContact CB-CB 3.97Å; N637-F797 HydrophobicContact CB-CD1 4.25Å; N637-F797 HydrophobicContact CB-CD2 3.67Å; N637-F797 HydrophobicContact CB-CE2 4.15Å; N637-F797 HydrophobicContact CB-CG 3.72Å; N637-S871 PolarHBondContact ND2-OG 3Å; N637-A872 PolarHBondContact ND2-O 2.87Å; N637-A872 PolarHBondContact OD1-O 3.04Å
638	S	92.8	Very high	93.6	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.028	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.2	-174.1	56.1	0	0	0	0	113.1	S513 Y656 F873 E874	S513-S638 VanDerWaalsContact CB-CB 3.42Å; S513-S638 WeakPolarHBondContact CB-OG 3.34Å; S513-S638 WeakPolarHBondContact OG-CB 3.25Å; S513-S638 PolarHBondContact OG-OG 3.16Å; S638-Y656 VanDerWaalsContact CA-OH 3.25Å; S638-Y656 WeakPolarHBondContact CA-OH 3.18Å; S638-Y656 PolarHBondContact O-OH 3.08Å; S638-F873 VanDerWaalsContact OG-CA 3.24Å; S638-F873 WeakPolarHBondContact OG-CA 3.39Å; S638-F873 WeakPolarHBondContact OG-CB 3.33Å; S638-E874 PolarHBondContact OG-N 3.42Å; S638-E874 VanDerWaalsContact OG-N 3.1Å
639	S	91.4	Very high	93.8	Very high	50 Å²	50	19 Å²	19	35%	0.35	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-40.5	177.7	-177.8	0	0	0	0	112.4	N637 G641	N637-S639 VanDerWaalsContact C-N 3.34Å; N637-S639 PolarHBondContact O-N 2.92Å; N637-S639 WeakPolarHBondContact OD1-CB 3.33Å; N637-S639 PolarHBondContact OD1-N 2.89Å; S639-G641 VanDerWaalsContact C-N 3.34Å
640	Y	92.6	Very high	94	Very high	7 Å²	7	16.2 Å²	16.2	3%	0.027	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.9	-177.6	-58.1	-12.7	0	0	0	112.3	N637 L642 F797 P811 L827 L829 R836 A872	N637-Y640 HydrophobicContact CB-CD2 3.88Å; N637-Y640 HydrophobicContact CB-CG 4.14Å; N637-Y640 VanDerWaalsContact CG-CD2 3.45Å; N637-Y640 PolarHBondContact O-N 3.33Å; N637-Y640 VanDerWaalsContact OD1-CG 3.25Å; N637-Y640 PolarHBondContact OD1-N 3.47Å; Y640-L642 VanDerWaalsContact C-N 3.35Å; Y640-F797 AromaticContact CD2-CD1 3.92Å; Y640-F797 HydrophobicContact CD2-CD1 3.92Å; Y640-F797 HydrophobicContact CD2-CE1 4.48Å; Y640-F797 HydrophobicContact CD2-CG 4.48Å; Y640-F797 HydrophobicContact CE2-CB 4.28Å; Y640-F797 HydrophobicContact CE2-CD1 4.15Å; Y640-P811 HydrophobicContact CE1-CB 4.32Å; Y640-P811 HydrophobicContact CE2-CB 4.04Å; Y640-L827 HydrophobicContact CD2-CD1 4.02Å; Y640-L827 HydrophobicContact CE2-CD1 4.21Å; Y640-L829 HydrophobicContact CD1-CD1 3.41Å; Y640-L829 VanDerWaalsContact CD1-CD1 3.41Å; Y640-L829 HydrophobicContact CE1-CD1 3.76Å; Y640-L829 HydrophobicContact CG-CD1 3.94Å; Y640-L829 HydrophobicContact CG-CD2 4.4Å; Y640-R836 PolarHBondContact O-NH2 3.45Å; Y640-A872 HydrophobicContact CE1-CB 3.81Å
641	G	92.9	Very high	94.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	24.5	-173.8	0	0	0	0	0	112.9	N637 S639 D655 Y656	N637-G641 PolarHBondContact O-N 3.3Å; N637-G641 VanDerWaalsContact O-N 3.15Å; S639-G641 VanDerWaalsContact C-N 3.34Å; G641-D655 WeakPolarHBondContact O-CA 3.39Å; G641-Y656 VanDerWaalsContact C-CD1 3.48Å; G641-Y656 VanDerWaalsContact C-CZ 3.47Å; G641-Y656 WeakPolarHBondContact CA-OH 3.44Å; G641-Y656 VanDerWaalsContact O-CD1 3.3Å; G641-Y656 WeakPolarHBondContact O-CD1 3.24Å; G641-Y656 WeakPolarHBondContact O-CE1 3.41Å; G641-Y656 PolarHBondContact O-N 2.78Å
642	L	96.3	Very high	94.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.1	-169.8	-66.8	-177.9	0	0	0	112.9	M636 N637 Y640 V653 V654 D655 Y656 V662 F797 L827 I841	M636-L642 WeakPolarHBondContact CA-O 3.23Å; N637-L642 PolarHBondContact N-O 2.91Å; N637-L642 PolarHBondContact O-N 3.29Å; Y640-L642 VanDerWaalsContact C-N 3.35Å; L642-V653 HydrophobicContact CD1-CG1 4.32Å; L642-V653 HydrophobicContact CD2-CG1 4.06Å; L642-V654 WeakPolarHBondContact CA-O 3.04Å; L642-D655 HydrophobicContact CD2-CB 4.05Å; L642-Y656 VanDerWaalsContact N-CE1 3.27Å; L642-V662 HydrophobicContact CD2-CG2 4.26Å; L642-F797 HydrophobicContact CB-CE1 4.25Å; L642-F797 HydrophobicContact CB-CZ 3.97Å; L642-F797 HydrophobicContact CD1-CE1 4.06Å; L642-L827 HydrophobicContact CD1-CD1 4Å; L642-L827 HydrophobicContact CD1-CD2 4.5Å; L642-I841 HydrophobicContact CD1-CD1 4.1Å; L642-I841 HydrophobicContact CD2-CD1 3.49Å; L642-I841 VanDerWaalsContact CD2-CD1 3.49Å; L642-I841 HydrophobicContact CG-CD1 3.82Å
643	L	97.2	Very high	94.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.1	166.7	170.7	68.1	0	0	0	107.9	C517 V525 I527 V618 L634 A635 M636 V653 V654 Y656	C517-L643 HydrophobicContact CB-CD1 4.24Å; C517-L643 VanDerWaalsContact SG-CD1 3.57Å; V525-L643 HydrophobicContact CB-CD2 4.39Å; V525-L643 HydrophobicContact CG1-CD1 4.4Å; V525-L643 HydrophobicContact CG1-CD2 3.75Å; I527-L643 HydrophobicContact CD1-CB 4.31Å; I527-L643 HydrophobicContact CD1-CD2 3.68Å; I527-L643 HydrophobicContact CG1-CD2 3.99Å; V618-L643 HydrophobicContact CG2-CD2 4.24Å; L634-L643 HydrophobicContact CD1-CD1 3.6Å; L634-L643 HydrophobicContact CG-CD1 4.45Å; A635-L643 WeakPolarHBondContact O-CD1 3.29Å; M636-L643 HydrophobicContact CB-CD1 4.48Å; L643-V653 CarbonylContact O-C 3.58Å; L643-V653 WeakPolarHBondContact O-CA 3.28Å; L643-V654 HydrophobicContact CB-CB 4.31Å; L643-V654 PolarHBondContact N-O 2.85Å; L643-V654 PolarHBondContact O-N 2.83Å; L643-Y656 HydrophobicContact CB-CD1 4.25Å
644	V	97.8	Very high	94.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.2	169.1	62.2	0	0	0	0	109.7	L634 A635 L651 A652 V653 F795 F797 L813	L634-V644 WeakPolarHBondContact CA-O 3.4Å; A635-V644 HydrophobicContact CB-CG1 3.84Å; A635-V644 PolarHBondContact N-O 2.79Å; A635-V644 PolarHBondContact O-N 3.34Å; V644-L651 HydrophobicContact CG2-CD1 4.38Å; V644-A652 WeakPolarHBondContact CA-O 3.3Å; V644-A652 WeakPolarHBondContact CG2-O 3.36Å; V644-V653 HydrophobicContact CB-CG2 4.33Å; V644-V653 HydrophobicContact CG2-CG2 3.98Å; V644-F795 HydrophobicContact CG1-CB 3.88Å; V644-F795 HydrophobicContact CG1-CD1 4.03Å; V644-F795 HydrophobicContact CG1-CD2 3.76Å; V644-F795 HydrophobicContact CG1-CE1 4.5Å; V644-F795 HydrophobicContact CG1-CE2 4.26Å; V644-F795 HydrophobicContact CG1-CG 3.62Å; V644-F795 HydrophobicContact CG2-CD1 3.91Å; V644-F795 HydrophobicContact CG2-CD2 4.22Å; V644-F795 HydrophobicContact CG2-CE1 3.58Å; V644-F795 HydrophobicContact CG2-CE2 3.91Å; V644-F795 HydrophobicContact CG2-CG 4.21Å; V644-F795 HydrophobicContact CG2-CZ 3.58Å; V644-F797 HydrophobicContact CB-CE2 4.5Å; V644-F797 HydrophobicContact CB-CZ 4.25Å; V644-F797 HydrophobicContact CG1-CE2 3.68Å; V644-F797 HydrophobicContact CG1-CZ 3.85Å; V644-L813 HydrophobicContact CB-CD2 4.14Å; V644-L813 HydrophobicContact CG1-CD1 4.01Å; V644-L813 HydrophobicContact CG1-CD2 4.3Å; V644-L813 HydrophobicContact CG2-CD2 3.92Å
645	F	97.6	Very high	94.5	Very high	1 Å²	1	6.8 Å²	6.8	0%	0.004	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.1	171	65.9	-80.7	0	0	0	110.1	V525 V545 M547 V618 I631 S633 L634 L651 A652 V654	V525-F645 HydrophobicContact CG2-CB 4.46Å; V525-F645 HydrophobicContact CG2-CD1 4.41Å; V525-F645 HydrophobicContact CG2-CG 4.22Å; V545-F645 HydrophobicContact CB-CZ 4.13Å; V545-F645 HydrophobicContact CG1-CZ 4.09Å; V545-F645 HydrophobicContact CG2-CZ 4.02Å; M547-F645 HydrophobicContact CE-CD2 3.76Å; M547-F645 HydrophobicContact CE-CE2 3.36Å; M547-F645 HydrophobicContact CE-CZ 3.94Å; M547-F645 HydrophobicContact SD-CE2 4.43Å; V618-F645 HydrophobicContact CG1-CE1 3.75Å; V618-F645 HydrophobicContact CG1-CZ 3.83Å; I631-F645 HydrophobicContact CD1-CD2 4.19Å; I631-F645 HydrophobicContact CG1-CD2 4.27Å; I631-F645 HydrophobicContact CG2-CB 4.15Å; S633-F645 VanDerWaalsContact O-CA 3.31Å; S633-F645 WeakPolarHBondContact O-CA 3.37Å; L634-F645 HydrophobicContact CD1-CB 3.86Å; F645-L651 WeakPolarHBondContact O-CA 3.31Å; F645-A652 HydrophobicContact CD1-CB 4.49Å; F645-A652 HydrophobicContact CE1-CB 3.87Å; F645-A652 HydrophobicContact CE2-CB 4.43Å; F645-A652 HydrophobicContact CZ-CB 3.85Å; F645-A652 PolarHBondContact N-O 3.4Å; F645-A652 VanDerWaalsContact N-O 3.1Å; F645-A652 PolarHBondContact O-N 3.08Å; F645-V654 HydrophobicContact CE1-CG2 4.01Å
646	G	95.4	Very high	94.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.5	-177.9	0	0	0	0	0	112.6	T632 S633 G650	T632-G646 PolarHBondContact N-O 3.28Å; T632-G646 PolarHBondContact OG1-O 3.13Å; T632-G646 VanDerWaalsContact OG1-O 3.11Å; S633-G646 PolarHBondContact N-O 3.2Å; S633-G646 PolarHBondContact O-N 2.83Å; S633-G646 VanDerWaalsContact O-N 3.08Å; G646-G650 VanDerWaalsContact CA-O 3.25Å; G646-G650 WeakPolarHBondContact CA-O 3.05Å
647	N	92.8	Very high	94.2	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.011	5%	0.046	C	C	.	.			trans	-145	-159.3	174.8	61	23.8	0	0	0	110	M547 Q629 Q630 T632 N649 G650 V792	M547-N647 VanDerWaalsContact SD-CG 3.57Å; M547-N647 PolarHBondContact SD-ND2 2.84Å; M547-N647 PolarHBondContact SD-OD1 2.9Å; Q629-N647 HydrophobicContact CB-CB 4.08Å; Q630-N647 WeakPolarHBondContact O-CB 3.22Å; T632-N647 WeakPolarHBondContact OG1-CA 3.36Å; N647-N649 VanDerWaalsContact C-N 3.3Å; N647-N649 WeakPolarHBondContact OD1-CA 3.37Å; N647-N649 WeakPolarHBondContact OD1-CB 3.34Å; N647-N649 PolarHBondContact OD1-N 3.13Å; N647-G650 PolarHBondContact N-O 2.77Å; N647-G650 PolarHBondContact OD1-N 3.23Å; N647-G650 VanDerWaalsContact OD1-N 3.17Å; N647-V792 PolarHBondContact O-N 3.42Å
648	S	90	Very high	94	Very high	25 Å²	25	9.6 Å²	9.6	18%	0.175	6%	0.055	C	C	.	.	S	Bend	trans	-74.7	-14.2	175.8	57.4	0	0	0	0	114.8
649	N	88.2	Confident	94.1	Very high	15 Å²	15	13.3 Å²	13.3	8%	0.08	7%	0.071	C	C	.	.	S	Bend	trans	-91.6	-31.5	179.8	-65.2	2.5	0	0	0	111.3	M547 Q629 N647 G666 T667	M547-N649 HydrophobicContact CB-CB 4.3Å; Q629-N649 WeakPolarHBondContact CG-OD1 3.45Å; N647-N649 VanDerWaalsContact C-N 3.3Å; N647-N649 WeakPolarHBondContact OD1-CA 3.37Å; N647-N649 WeakPolarHBondContact OD1-CB 3.34Å; N647-N649 PolarHBondContact OD1-N 3.13Å; N649-G666 CarbonylContact O-C 3.58Å; N649-G666 VanDerWaalsContact O-CA 3.29Å; N649-G666 WeakPolarHBondContact O-CA 3.3Å; N649-T667 PolarHBondContact O-N 3Å; N649-T667 PolarHBondContact O-OG1 2.95Å
650	G	91.1	Very high	94.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164	-149.1	-179.6	0	0	0	0	0	113.2	G646 N647 L665 T667	G646-G650 VanDerWaalsContact CA-O 3.25Å; G646-G650 WeakPolarHBondContact CA-O 3.05Å; N647-G650 PolarHBondContact N-O 2.77Å; N647-G650 PolarHBondContact OD1-N 3.23Å; N647-G650 VanDerWaalsContact OD1-N 3.17Å; G650-L665 VanDerWaalsContact CA-O 3.22Å; G650-L665 WeakPolarHBondContact CA-O 3.4Å; G650-T667 PolarHBondContact N-OG1 2.98Å
651	L	95	Very high	94.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.7	176	70.8	87.6	0	0	0	112	V644 F645 V653 L663 N664 L665 L670 V792 F795 V815	V644-L651 HydrophobicContact CG2-CD1 4.38Å; F645-L651 WeakPolarHBondContact O-CA 3.31Å; L651-V653 HydrophobicContact CD1-CG2 3.86Å; L651-L663 HydrophobicContact CD1-CD2 3.99Å; L651-N664 WeakPolarHBondContact O-CA 3.35Å; L651-L665 PolarHBondContact N-O 3.11Å; L651-L665 PolarHBondContact O-N 2.69Å; L651-L670 HydrophobicContact CD2-CD1 3.93Å; L651-L670 HydrophobicContact CD2-CD2 3.54Å; L651-L670 HydrophobicContact CD2-CG 4.4Å; L651-L670 HydrophobicContact CG-CD2 4.05Å; L651-V792 HydrophobicContact CB-CG2 4.37Å; L651-F795 HydrophobicContact CB-CE1 4.26Å; L651-F795 HydrophobicContact CB-CZ 4.03Å; L651-F795 HydrophobicContact CD2-CE1 4.07Å; L651-V815 HydrophobicContact CD2-CB 4.45Å; L651-V815 HydrophobicContact CD2-CG1 3.84Å; L651-V815 HydrophobicContact CD2-CG2 3.79Å
652	A	96.2	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.8	169.8	0	0	0	0	0	110.3	V545 M547 V644 F645 L663	V545-A652 HydrophobicContact CG1-CB 3.81Å; M547-A652 HydrophobicContact CE-CB 3.41Å; M547-A652 VanDerWaalsContact CE-CB 3.41Å; M547-A652 VanDerWaalsContact CE-N 3.34Å; V644-A652 WeakPolarHBondContact CA-O 3.3Å; V644-A652 WeakPolarHBondContact CG2-O 3.36Å; F645-A652 HydrophobicContact CD1-CB 4.49Å; F645-A652 HydrophobicContact CE1-CB 3.87Å; F645-A652 HydrophobicContact CE2-CB 4.43Å; F645-A652 HydrophobicContact CZ-CB 3.85Å; F645-A652 PolarHBondContact N-O 3.4Å; F645-A652 VanDerWaalsContact N-O 3.1Å; F645-A652 PolarHBondContact O-N 3.08Å; A652-L663 CarbonylContact C-O 3.55Å; A652-L663 VanDerWaalsContact CA-O 3.23Å; A652-L663 WeakPolarHBondContact CA-O 3.49Å
653	V	97.1	Very high	94.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.9	170.9	-172.5	0	0	0	0	108	L642 L643 V644 L651 V662 L663 L813 I843	L642-V653 HydrophobicContact CD1-CG1 4.32Å; L642-V653 HydrophobicContact CD2-CG1 4.06Å; L643-V653 CarbonylContact O-C 3.58Å; L643-V653 WeakPolarHBondContact O-CA 3.28Å; V644-V653 HydrophobicContact CB-CG2 4.33Å; V644-V653 HydrophobicContact CG2-CG2 3.98Å; L651-V653 HydrophobicContact CD1-CG2 3.86Å; V653-V662 HydrophobicContact CG1-CG2 4.5Å; V653-V662 PolarHBondContact O-N 3.32Å; V653-L663 HydrophobicContact CB-CB 3.98Å; V653-L663 HydrophobicContact CG2-CB 4.04Å; V653-L663 HydrophobicContact CG2-CD2 4.08Å; V653-L663 PolarHBondContact N-O 3.18Å; V653-L663 PolarHBondContact O-N 2.89Å; V653-L813 HydrophobicContact CG2-CD2 3.85Å; V653-I843 HydrophobicContact CB-CD1 3.81Å; V653-I843 HydrophobicContact CG1-CD1 3.64Å; V653-I843 HydrophobicContact CG2-CD1 4.01Å
654	V	97.2	Very high	94	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.7	-179.1	175.1	0	0	0	0	108.8	L543 L616 V618 L642 L643 F645 Y656 M660 V661	L543-V654 HydrophobicContact CD2-CG1 3.65Å; L543-V654 HydrophobicContact CD2-CG2 4.13Å; L616-V654 HydrophobicContact CD2-CG1 4.04Å; V618-V654 HydrophobicContact CG1-CG2 4.24Å; V618-V654 HydrophobicContact CG2-CG1 4.25Å; V618-V654 HydrophobicContact CG2-CG2 4.37Å; L642-V654 WeakPolarHBondContact CA-O 3.04Å; L643-V654 HydrophobicContact CB-CB 4.31Å; L643-V654 PolarHBondContact N-O 2.85Å; L643-V654 PolarHBondContact O-N 2.83Å; F645-V654 HydrophobicContact CE1-CG2 4.01Å; V654-Y656 PolarHBondContact O-N 2.9Å; V654-M660 WeakPolarHBondContact CA-O 3.42Å; V654-V661 HydrophobicContact CG2-CG2 4.44Å
655	D	95.9	Very high	93.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	102.9	164.8	-178.4	-13	0	0	0	107.5	G641 L642 I657 Q658 K659 M660 V662 R836	G641-D655 WeakPolarHBondContact O-CA 3.39Å; L642-D655 HydrophobicContact CD2-CB 4.05Å; D655-I657 VanDerWaalsContact C-N 3.27Å; D655-I657 PolarHBondContact O-N 3.02Å; D655-I657 WeakPolarHBondContact OD1-CA 3.47Å; D655-I657 WeakPolarHBondContact OD1-CB 3.34Å; D655-I657 PolarHBondContact OD1-N 3.18Å; D655-Q658 HydrophobicContact CB-CB 4.48Å; D655-Q658 PolarHBondContact OD1-N 3.4Å; D655-Q658 VanDerWaalsContact OD1-N 3.11Å; D655-K659 VanDerWaalsContact O-CA 3.25Å; D655-K659 WeakPolarHBondContact O-CA 3.32Å; D655-K659 PolarHBondContact O-N 2.89Å; D655-M660 HydrophobicContact CB-CG 4.22Å; D655-M660 PolarHBondContact N-O 3.23Å; D655-M660 PolarHBondContact O-N 3.12Å; D655-V662 HydrophobicContact CB-CG2 3.48Å; D655-V662 VanDerWaalsContact CB-CG2 3.48Å; D655-V662 VanDerWaalsContact N-CG2 3.3Å; D655-R836 IonicContact OD1-CZ 3.88Å; D655-R836 IonicContact OD1-NH1 2.74Å; D655-R836 PolarHBondContact OD1-NH1 2.61Å; D655-R836 IonicContact OD1-NH2 3.04Å; D655-R836 PolarHBondContact OD1-NH2 2.72Å; D655-R836 IonicContact OD2-CZ 3.27Å; D655-R836 VanDerWaalsContact OD2-CZ 3.26Å; D655-R836 IonicContact OD2-NH1 3.89Å; D655-R836 PolarHBondContact OD2-NH1 2.96Å; D655-R836 IonicContact OD2-NH2 3.95Å; D655-R836 PolarHBondContact OD2-NH2 3.16Å
656	Y	94.3	Very high	93.2	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.024	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.1	-178	64.3	-108.4	0	0	0	112.8	M515 I527 N637 S638 G641 L642 L643 V654	M515-Y656 HydrophobicContact CE-CE2 4.14Å; I527-Y656 VanDerWaalsContact CD1-CB 3.44Å; I527-Y656 HydrophobicContact CD1-CD1 4.15Å; I527-Y656 HydrophobicContact CD1-CG 4.01Å; N637-Y656 PolarHBondContact O-OH 3.42Å; S638-Y656 VanDerWaalsContact CA-OH 3.25Å; S638-Y656 WeakPolarHBondContact CA-OH 3.18Å; S638-Y656 PolarHBondContact O-OH 3.08Å; G641-Y656 VanDerWaalsContact C-CD1 3.48Å; G641-Y656 VanDerWaalsContact C-CZ 3.47Å; G641-Y656 WeakPolarHBondContact CA-OH 3.44Å; G641-Y656 VanDerWaalsContact O-CD1 3.3Å; G641-Y656 WeakPolarHBondContact O-CD1 3.24Å; G641-Y656 WeakPolarHBondContact O-CE1 3.41Å; G641-Y656 PolarHBondContact O-N 2.78Å; L642-Y656 VanDerWaalsContact N-CE1 3.27Å; L643-Y656 HydrophobicContact CB-CD1 4.25Å; V654-Y656 PolarHBondContact O-N 2.9Å
657	I	91.1	Very high	92.6	Very high	50 Å²	50	24.5 Å²	24.5	26%	0.256	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-49.4	171.6	-62.7	-176.3	0	0	0	108.8	D655 R836 Q837	D655-I657 VanDerWaalsContact C-N 3.27Å; D655-I657 PolarHBondContact O-N 3.02Å; D655-I657 WeakPolarHBondContact OD1-CA 3.47Å; D655-I657 WeakPolarHBondContact OD1-CB 3.34Å; D655-I657 PolarHBondContact OD1-N 3.18Å; I657-R836 HydrophobicContact CD1-CG 4.42Å; I657-Q837 VanDerWaalsContact CG2-NE2 3.27Å
658	Q	92.1	Very high	92	Very high	41 Å²	41	29.2 Å²	29.2	19%	0.192	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.5	177.7	-67.6	-179	3.8	0	0	113.9	D655 M660 R836 Q839	D655-Q658 HydrophobicContact CB-CB 4.48Å; D655-Q658 PolarHBondContact OD1-N 3.4Å; D655-Q658 VanDerWaalsContact OD1-N 3.11Å; Q658-M660 HydrophobicContact CB-CG 3.93Å; Q658-M660 HydrophobicContact CB-SD 4.04Å; Q658-M660 PolarHBondContact O-N 3.18Å; Q658-M660 PolarHBondContact OE1-SD 3.12Å; Q658-R836 PolarHBondContact NE2-O 2.85Å; Q658-Q839 VanDerWaalsContact NE2-C 3.33Å; Q658-Q839 PolarHBondContact NE2-O 3.02Å
659	K	93.6	Very high	91.6	Very high	81 Å²	81	32.7 Å²	32.7	35%	0.352	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	45.4	-179	-58.8	173.3	177.4	167.5	0	112.4	Q541 L616 D655	Q541-K659 HydrophobicContact CB-CD 4.34Å; Q541-K659 HydrophobicContact CG-CD 4.11Å; L616-K659 HydrophobicContact CD1-CB 4.4Å; L616-K659 HydrophobicContact CD1-CG 4.37Å; L616-K659 HydrophobicContact CD2-CG 4.49Å; D655-K659 VanDerWaalsContact O-CA 3.25Å; D655-K659 WeakPolarHBondContact O-CA 3.32Å; D655-K659 PolarHBondContact O-N 2.89Å
660	M	94.2	Very high	91.2	Very high	70 Å²	70	32.4 Å²	32.4	35%	0.345	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.1	-178.1	67.4	-178.3	-66.9	0	0	112.7	V654 D655 Q658 P840	V654-M660 WeakPolarHBondContact CA-O 3.42Å; D655-M660 HydrophobicContact CB-CG 4.22Å; D655-M660 PolarHBondContact N-O 3.23Å; D655-M660 PolarHBondContact O-N 3.12Å; Q658-M660 HydrophobicContact CB-CG 3.93Å; Q658-M660 HydrophobicContact CB-SD 4.04Å; Q658-M660 PolarHBondContact O-N 3.18Å; Q658-M660 PolarHBondContact OE1-SD 3.12Å; M660-P840 HydrophobicContact SD-CB 4.45Å
661	V	94.9	Very high	90.8	Very high	44 Å²	44	33.1 Å²	33.1	27%	0.267	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.4	168.8	-174.6	0	0	0	0	107.9	L543 V545 V654 L663 N664	L543-V661 HydrophobicContact CD1-CG2 4.23Å; L543-V661 HydrophobicContact CD2-CG2 3.76Å; L543-V661 HydrophobicContact CG-CG2 4.02Å; V545-V661 HydrophobicContact CG2-CG2 3.72Å; V654-V661 HydrophobicContact CG2-CG2 4.44Å; V661-L663 WeakPolarHBondContact CG1-O 3.35Å; V661-N664 HydrophobicContact CG1-CB 4.09Å
662	V	94.3	Very high	89.8	Confident	33 Å²	33	35.3 Å²	35.3	20%	0.2	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-29.7	-179.1	-141.6	0	0	0	0	111.7	L642 V653 D655 I841 I843	L642-V662 HydrophobicContact CD2-CG2 4.26Å; V653-V662 HydrophobicContact CG1-CG2 4.5Å; V653-V662 PolarHBondContact O-N 3.32Å; D655-V662 HydrophobicContact CB-CG2 3.48Å; D655-V662 VanDerWaalsContact CB-CG2 3.48Å; D655-V662 VanDerWaalsContact N-CG2 3.3Å; V662-I841 HydrophobicContact CG1-CB 4.25Å; V662-I841 WeakPolarHBondContact CG1-O 3.49Å; V662-I843 HydrophobicContact CB-CD1 4.23Å
663	L	93.6	Very high	88.1	Confident	25 Å²	25	40.3 Å²	40.3	13%	0.131	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138.9	179	-172.4	73.6	0	0	0	109.2	L651 A652 V653 V661 L665 L825 I843	L651-L663 HydrophobicContact CD1-CD2 3.99Å; A652-L663 CarbonylContact C-O 3.55Å; A652-L663 VanDerWaalsContact CA-O 3.23Å; A652-L663 WeakPolarHBondContact CA-O 3.49Å; V653-L663 HydrophobicContact CB-CB 3.98Å; V653-L663 HydrophobicContact CG2-CB 4.04Å; V653-L663 HydrophobicContact CG2-CD2 4.08Å; V653-L663 PolarHBondContact N-O 3.18Å; V653-L663 PolarHBondContact O-N 2.89Å; V661-L663 WeakPolarHBondContact CG1-O 3.35Å; L663-L665 HydrophobicContact CD1-CD1 3.82Å; L663-L665 HydrophobicContact CD1-CD2 4.21Å; L663-L665 HydrophobicContact CD1-CG 3.73Å; L663-L665 HydrophobicContact CD2-CD1 3.89Å; L663-L665 HydrophobicContact CD2-CG 4.22Å; L663-L665 HydrophobicContact CG-CD1 4.03Å; L663-L665 HydrophobicContact CG-CG 3.85Å; L663-L825 HydrophobicContact CD2-CD1 3.81Å; L663-I843 HydrophobicContact CB-CD1 4.05Å; L663-I843 HydrophobicContact CD2-CB 4.46Å; L663-I843 HydrophobicContact CD2-CG2 3.89Å
664	N	92.6	Very high	86.3	Confident	62 Å²	62	45.9 Å²	45.9	33%	0.332	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	105.6	171.9	-179.7	28.2	0	0	0	106.5	R546 L651 V661	R546-N664 PolarHBondContact O-ND2 3.26Å; L651-N664 WeakPolarHBondContact O-CA 3.35Å; V661-N664 HydrophobicContact CG1-CB 4.09Å
665	L	90.1	Very high	84.7	Confident	30 Å²	30	47.3 Å²	47.3	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	-174	-70.2	-179.7	0	0	0	110.2	G650 L651 L663 E669 L670	G650-L665 VanDerWaalsContact CA-O 3.22Å; G650-L665 WeakPolarHBondContact CA-O 3.4Å; L651-L665 PolarHBondContact N-O 3.11Å; L651-L665 PolarHBondContact O-N 2.69Å; L663-L665 HydrophobicContact CD1-CD1 3.82Å; L663-L665 HydrophobicContact CD1-CD2 4.21Å; L663-L665 HydrophobicContact CD1-CG 3.73Å; L663-L665 HydrophobicContact CD2-CD1 3.89Å; L663-L665 HydrophobicContact CD2-CG 4.22Å; L663-L665 HydrophobicContact CG-CD1 4.03Å; L663-L665 HydrophobicContact CG-CG 3.85Å; L665-E669 WeakPolarHBondContact CA-OE2 3.49Å; L665-E669 HydrophobicContact CB-CB 4.46Å; L665-E669 HydrophobicContact CD2-CB 4.22Å; L665-E669 WeakPolarHBondContact CD2-OE2 3.46Å; L665-L670 HydrophobicContact CB-CD2 3.86Å; L665-L670 HydrophobicContact CB-CG 4.41Å; L665-L670 HydrophobicContact CD1-CD2 3.77Å; L665-L670 HydrophobicContact CG-CD2 4.49Å
666	G	87.8	Confident	82.9	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.4	168.3	0	0	0	0	0	111.4	N649 V668 E669 L670	N649-G666 CarbonylContact O-C 3.58Å; N649-G666 VanDerWaalsContact O-CA 3.29Å; N649-G666 WeakPolarHBondContact O-CA 3.3Å; G666-V668 PolarHBondContact O-N 3.29Å; G666-V668 VanDerWaalsContact O-N 3.13Å; G666-E669 PolarHBondContact N-OE2 2.89Å; G666-E669 WeakPolarHBondContact O-CB 3.35Å; G666-E669 PolarHBondContact O-N 2.9Å; G666-L670 PolarHBondContact O-N 3.16Å
667	T	82.3	Confident	81.3	Confident	12 Å²	12	56.4 Å²	56.4	7%	0.074	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.5	-177	-52.9	0	0	0	0	113.2	N649 G650 L670 Y671 E790	N649-T667 PolarHBondContact O-N 3Å; N649-T667 PolarHBondContact O-OG1 2.95Å; G650-T667 PolarHBondContact N-OG1 2.98Å; T667-L670 WeakPolarHBondContact O-CB 3.14Å; T667-Y671 WeakPolarHBondContact O-CD2 3.48Å; T667-E790 HydrophobicContact CG2-CB 3.82Å; T667-E790 HydrophobicContact CG2-CG 3.59Å; T667-E790 PolarHBondContact OG1-O 3.19Å
668	V	80.3	Confident	79.4	Confident	101 Å²	101	60.5 Å²	60.5	61%	0.612	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-41.1	177.6	-179.1	0	0	0	0	111.7	G666 L670 Y671	G666-V668 PolarHBondContact O-N 3.29Å; G666-V668 VanDerWaalsContact O-N 3.13Å; V668-L670 PolarHBondContact O-N 3.13Å; V668-Y671 PolarHBondContact O-N 2.94Å
669	E	82.7	Confident	77.1	Confident	98 Å²	98	70 Å²	70	46%	0.458	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-65	-26.5	-178.6	-59	-180	144	0	0	112.4	L665 G666 Y671 G672	L665-E669 WeakPolarHBondContact CA-OE2 3.49Å; L665-E669 HydrophobicContact CB-CB 4.46Å; L665-E669 HydrophobicContact CD2-CB 4.22Å; L665-E669 WeakPolarHBondContact CD2-OE2 3.46Å; G666-E669 PolarHBondContact N-OE2 2.89Å; G666-E669 WeakPolarHBondContact O-CB 3.35Å; G666-E669 PolarHBondContact O-N 2.9Å; E669-Y671 PolarHBondContact O-N 2.81Å; E669-Y671 VanDerWaalsContact O-N 3.15Å; E669-G672 PolarHBondContact O-N 2.9Å
670	L	80	Confident	74.3	Confident	9 Å²	9	74.7 Å²	74.7	5%	0.047	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-59	-26.6	177.8	-65	174	0	0	0	113	L651 L665 G666 T667 V668 V792 L823	L651-L670 HydrophobicContact CD2-CD1 3.93Å; L651-L670 HydrophobicContact CD2-CD2 3.54Å; L651-L670 HydrophobicContact CD2-CG 4.4Å; L651-L670 HydrophobicContact CG-CD2 4.05Å; L665-L670 HydrophobicContact CB-CD2 3.86Å; L665-L670 HydrophobicContact CB-CG 4.41Å; L665-L670 HydrophobicContact CD1-CD2 3.77Å; L665-L670 HydrophobicContact CG-CD2 4.49Å; G666-L670 PolarHBondContact O-N 3.16Å; T667-L670 WeakPolarHBondContact O-CB 3.14Å; V668-L670 PolarHBondContact O-N 3.13Å; L670-V792 HydrophobicContact CD1-CG2 4.43Å; L670-L823 HydrophobicContact CB-CD1 3.53Å; L670-L823 HydrophobicContact CD1-CD1 4.39Å
671	Y	80.9	Confident	71.5	Confident	17 Å²	17	77.5 Å²	77.5	7%	0.067	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-84	-17	179	-68.7	-88.1	0	0	0	113.5	T667 V668 E669 S673 N674 P676 E790 T821 L823	T667-Y671 WeakPolarHBondContact O-CD2 3.48Å; V668-Y671 PolarHBondContact O-N 2.94Å; E669-Y671 PolarHBondContact O-N 2.81Å; E669-Y671 VanDerWaalsContact O-N 3.15Å; Y671-S673 PolarHBondContact O-N 3.39Å; Y671-N674 PolarHBondContact O-N 2.8Å; Y671-P676 HydrophobicContact CD1-CG 4.37Å; Y671-P676 HydrophobicContact CE1-CG 4.28Å; Y671-E790 VanDerWaalsContact CE2-OE2 3.29Å; Y671-E790 WeakPolarHBondContact CE2-OE2 2.99Å; Y671-E790 VanDerWaalsContact OH-CD 3.26Å; Y671-E790 PolarHBondContact OH-OE1 2.86Å; Y671-E790 PolarHBondContact OH-OE2 2.85Å; Y671-T821 HydrophobicContact CE1-CG2 3.77Å; Y671-T821 WeakPolarHBondContact OH-CB 3.34Å; Y671-T821 PolarHBondContact OH-OG1 3.27Å; Y671-L823 HydrophobicContact CD1-CD2 4.25Å; Y671-L823 HydrophobicContact CE1-CD2 4.24Å
672	G	74.7	Confident	68.6	Low	46 Å²	46	87 Å²	87	47%	0.474	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	53.1	-133.9	-175.4	0	0	0	0	0	112.7	E669 N674	E669-G672 PolarHBondContact O-N 2.9Å; G672-N674 PolarHBondContact O-N 3.49Å
673	S	60.7	Low	65.8	Low	105 Å²	105	90.4 Å²	90.4	73%	0.734	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-74	-5.4	176.4	55.3	0	0	0	0	114.7	Y671	Y671-S673 PolarHBondContact O-N 3.39Å
674	N	59.6	Low	63.1	Low	116 Å²	116	95.4 Å²	95.4	62%	0.62	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-99	22.5	179.5	-66.5	-52.7	0	0	0	112.1	Y671 G672 P676	Y671-N674 PolarHBondContact O-N 2.8Å; G672-N674 PolarHBondContact O-N 3.49Å; N674-P676 WeakPolarHBondContact O-CD 3.33Å; N674-P676 VanDerWaalsContact O-N 3.09Å
675	D	63.8	Low	60.2	Low	30 Å²	30	103.8 Å²	103.8	16%	0.16	53%	0.531	C	S	.	.			trans	-55.6	112.6	175.8	179.1	9.9	0	0	0	110.5	Y677 Q678	D675-Y677 PolarHBondContact O-N 3.44Å; D675-Y677 VanDerWaalsContact O-N 3.12Å; D675-Y677 WeakPolarHBondContact OD1-CA 3.4Å; D675-Y677 WeakPolarHBondContact OD1-CB 3.13Å; D675-Y677 PolarHBondContact OD1-N 3.37Å; D675-Q678 HydrophobicContact CB-CB 4.42Å; D675-Q678 HydrophobicContact CB-CG 4.06Å; D675-Q678 PolarHBondContact O-N 2.71Å; D675-Q678 PolarHBondContact OD2-N 3.03Å
676	P	58.7	Low	57.6	Low	70 Å²	70	112.8 Å²	112.8	46%	0.455	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.2	-7.7	178.5	27.9	-31.4	0	0	0	112.9	Y671 N674	Y671-P676 HydrophobicContact CD1-CG 4.37Å; Y671-P676 HydrophobicContact CE1-CG 4.28Å; N674-P676 WeakPolarHBondContact O-CD 3.33Å; N674-P676 VanDerWaalsContact O-N 3.09Å
677	Y	59.1	Low	55	Low	128 Å²	128	118.5 Å²	118.5	50%	0.502	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.6	-0.8	-178.2	-57.7	-76.7	0	0	0	114.2	D675 R679 L819 R851	D675-Y677 PolarHBondContact O-N 3.44Å; D675-Y677 VanDerWaalsContact O-N 3.12Å; D675-Y677 WeakPolarHBondContact OD1-CA 3.4Å; D675-Y677 WeakPolarHBondContact OD1-CB 3.13Å; D675-Y677 PolarHBondContact OD1-N 3.37Å; Y677-R679 PolarHBondContact O-N 2.98Å; Y677-R679 VanDerWaalsContact O-N 3.07Å; Y677-L819 HydrophobicContact CE2-CD1 4.3Å; Y677-L819 WeakPolarHBondContact OH-CD1 3.34Å; Y677-R851 PolarHBondContact OH-NH2 3.18Å; Y677-R851 VanDerWaalsContact OH-NH2 3.1Å
678	Q	52.4	Low	52.5	Low	136 Å²	136	129.7 Å²	129.7	64%	0.636	64%	0.641	S	S	*	*			trans	-64.2	109.8	174.2	-97.2	-175.5	9.3	0	0	111.8	D675 Q680	D675-Q678 HydrophobicContact CB-CB 4.42Å; D675-Q678 HydrophobicContact CB-CG 4.06Å; D675-Q678 PolarHBondContact O-N 2.71Å; D675-Q678 PolarHBondContact OD2-N 3.03Å; Q678-Q680 PolarHBondContact O-N 3.11Å
679	R	43.7	Very low	50.1	Low	241 Å²	241	133.2 Å²	133.2	91%	0.909	65%	0.651	S	S	*	*			trans	-80.8	114	167.4	-67.5	-174.5	-175.2	179	4.5	109.3	Y677	Y677-R679 PolarHBondContact O-N 2.98Å; Y677-R679 VanDerWaalsContact O-N 3.07Å
680	Q	33.3	Very low	47.7	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-62.1	130.4	168.9	-76.9	-176.5	-5.8	0	0	110.5	Q678 R682	Q678-Q680 PolarHBondContact O-N 3.11Å; Q680-R682 PolarHBondContact O-N 2.69Å
681	P	35.8	Very low	45.4	Very low	129 Å²	129	139.5 Å²	139.5	84%	0.838	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-66.9	118.6	173.9	24.9	-30.2	0	0	0	109.7
682	R	33.9	Very low	42.9	Very low	244 Å²	244	142 Å²	142	92%	0.921	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-78.3	124.8	173	-72.2	-174.6	175.4	-179.1	0	109.5	Q680	Q680-R682 PolarHBondContact O-N 2.69Å
683	S	35.4	Very low	40.7	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.6	141.4	174.2	61.7	0	0	0	0	112.2	R685	S683-R685 PolarHBondContact O-N 3.37Å
684	P	36.8	Very low	39.2	Very low	130 Å²	130	145.1 Å²	145.1	84%	0.844	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69.7	125.6	179.4	-12.4	26.8	0	0	0	111.6
685	R	31.9	Very low	37.9	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-75	127.8	167.3	-89.1	-179	170.7	172.3	-2.7	109.6	S683 T687	S683-R685 PolarHBondContact O-N 3.37Å; R685-T687 PolarHBondContact O-N 3.43Å
686	K	36.7	Very low	36.1	Very low	219 Å²	219	151 Å²	151	95%	0.952	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60	125.8	165.6	-79.1	179	174.3	176.7	0	110.4
687	T	32.4	Very low	34.6	Very low	138 Å²	138	155.1 Å²	155.1	85%	0.847	81%	0.808	S	S	*	*			trans	-116	129.8	165.4	34.1	0	0	0	0	110.9	R685	R685-T687 PolarHBondContact O-N 3.43Å
688	R	30.9	Very low	33.4	Very low	246 Å²	246	155.5 Å²	155.5	93%	0.928	82%	0.818	S	S	*	*			trans	-62.8	150.4	177.9	-81	171.7	161.8	171.9	-6.7	112.1
689	Q	29.5	Very low	32.2	Very low	176 Å²	176	155.2 Å²	155.2	82%	0.822	82%	0.821	S	S	*	*			trans	-50.9	158.9	165.8	-70.3	-166.2	-16.2	0	0	113.2
690	P	32.8	Very low	31.4	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	81%	0.813	S	S	*	*				-129.3	154.1	121.4	34.7	-23.9	0	0	0	113.6
691	S	29.8	Very low	31	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	81%	0.811	S	S	*	*			trans	-74	159.6	-177.4	-33.5	0	0	0	0	113
692	G	29.2	Very low	30.6	Very low	69 Å²	69	148.1 Å²	148.1	71%	0.711	81%	0.812	S	S	*	*			trans	127.1	89.9	142.4	0	0	0	0	0	117.6
693	V	29.2	Very low	30.3	Very low	149 Å²	149	140.4 Å²	140.4	90%	0.903	80%	0.8	S	S	*	*				44.7	121.6	126	-172.8	0	0	0	0	119
694	G	28.9	Very low	29.9	Very low	68 Å²	68	142 Å²	142	70%	0.701	81%	0.806	S	S	*	*			trans	175.9	71.6	161.3	0	0	0	0	0	116
695	L	30.9	Very low	29.4	Very low	171 Å²	171	141.4 Å²	141.4	90%	0.895	81%	0.805	S	S	*	*			trans	51	137.1	142.9	-77.7	144.1	0	0	0	123.8
696	C	27.2	Very low	29.3	Very low	99 Å²	99	138.9 Å²	138.9	67%	0.669	80%	0.803	S	S	*	*			trans	-58.4	155.8	175.7	-51.9	0	0	0	0	117.3
697	D	27.6	Very low	28.7	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	79%	0.789	S	S	*	*				-164.2	103.6	127.6	-87.4	-26.3	0	0	0	106.5
698	I	32.7	Very low	28.5	Very low	137 Å²	137	137.7 Å²	137.7	70%	0.703	79%	0.786	S	S	*	*				71.3	110.1	79.1	-64.1	179.8	0	0	0	114.9
699	N	27.7	Very low	28.3	Very low	130 Å²	130	131.1 Å²	131.1	70%	0.695	78%	0.777	S	S	*	*			trans	57.1	149.4	143.3	-80	8.3	0	0	0	120.7
700	E	26.9	Very low	28	Very low	159 Å²	159	132.1 Å²	132.1	74%	0.743	78%	0.779	S	S	*	*			cis	-165.4	153.4	19.4	-132.1	156.8	-147.9	0	0	111.6
701	C	25.3	Very low	27.9	Very low	118 Å²	118	131.3 Å²	131.3	80%	0.797	78%	0.776	S	S	*	*			trans	12.6	136.9	149.4	-78.9	0	0	0	0	121.3
702	S	27.3	Very low	28.1	Very low	122 Å²	122	132.1 Å²	132.1	85%	0.853	78%	0.778	S	S	*	*				177.3	155.1	80.6	62.7	0	0	0	0	113.4
703	A	27.3	Very low	28.1	Very low	82 Å²	82	135.2 Å²	135.2	68%	0.678	78%	0.784	S	S	*	*			trans	-79.6	171.2	-167.9	0	0	0	0	0	116.4
704	T	26.7	Very low	28	Very low	138 Å²	138	133.4 Å²	133.4	85%	0.847	78%	0.778	S	S	*	*			trans	74.2	120.2	148	54.3	0	0	0	0	119.8
705	S	27.1	Very low	27.7	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	79%	0.786	S	S	*	*				-170.8	137.1	95.2	59.3	0	0	0	0	112.5
706	E	28.3	Very low	27.3	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	78%	0.779	S	S	*	*			trans	-52.8	152.4	166.5	-60.5	167.7	131.7	0	0	112.1
707	D	25.8	Very low	27	Very low	125 Å²	125	138.4 Å²	138.4	67%	0.668	79%	0.785	S	S	*	*				170.8	142.6	95	-138	-6.8	0	0	0	113.3
708	R	26.8	Very low	27	Very low	207 Å²	207	136.9 Å²	136.9	78%	0.781	78%	0.782	S	S	*	*			trans	51.8	113.6	145.6	-87.4	166	172.8	169.2	-1.7	124.2
709	C	26.6	Very low	26.5	Very low	109 Å²	109	139.4 Å²	139.4	74%	0.736	79%	0.791	S	S	*	*				61.8	127.2	111.2	-75.3	0	0	0	0	123
710	K	23.8	Very low	26.2	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	79%	0.794	S	S	*	*			trans	97.3	125.1	135.4	-74.1	175.6	-178.1	-174.2	0	119
711	S	31.2	Very low	26.1	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	80%	0.795	S	S	*	*			trans	-56.8	166	166.4	25.1	0	0	0	0	113.7
712	P	33.1	Very low	26	Very low	129 Å²	129	138.8 Å²	138.8	84%	0.838	79%	0.793	S	S	*	*				-141.5	153.8	107.2	34.2	-18.4	0	0	0	115.2
713	T	30.5	Very low	25.8	Very low	135 Å²	135	142 Å²	142	83%	0.828	79%	0.792	S	S	*	*			trans	-79.8	150.9	166.9	35.8	0	0	0	0	112.9
714	S	25.3	Very low	25.6	Very low	110 Å²	110	146.5 Å²	146.5	77%	0.769	80%	0.796	S	S	*	*			trans	-177.7	116.9	131.9	50.1	0	0	0	0	112.4
715	E	22.6	Very low	25.7	Very low	188 Å²	188	149.9 Å²	149.9	88%	0.879	80%	0.795	S	S	*	*			trans	23.5	140.5	135.4	-64.2	176.9	158.2	0	0	119.3
716	S	23.7	Very low	25.9	Very low	108 Å²	108	150.6 Å²	150.6	76%	0.755	78%	0.78	S	S	*	*			cis	-176	173.8	44.2	31.2	0	0	0	0	110.5
717	D	21.4	Very low	26.2	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	77%	0.767	S	S	*	*			trans	95.2	81.8	168.5	-68.6	-7.5	0	0	0	119	Q719	D717-Q719 PolarHBondContact O-N 3.48Å
718	T	25.9	Very low	27.1	Very low	124 Å²	124	144.6 Å²	144.6	76%	0.761	77%	0.768	S	S	*	*			trans	-14.9	110.7	145.9	44	0	0	0	0	117.4
719	Q	22.6	Very low	27.5	Very low	190 Å²	190	141 Å²	141	89%	0.888	76%	0.755	S	S	*	*			trans	-121.4	98	141.4	-76.6	-173.6	-6.7	0	0	107.6	D717 S721	D717-Q719 PolarHBondContact O-N 3.48Å; Q719-S721 PolarHBondContact O-N 3.16Å; Q719-S721 VanDerWaalsContact O-N 3.15Å
720	N	22.8	Very low	27.8	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	76%	0.758	S	S	*	*			trans	-77.1	93.7	175.6	-109.2	-8	0	0	0	109.1
721	S	23.6	Very low	28.2	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	74%	0.743	S	S	*	*			trans	-98.3	82.9	162.4	59	0	0	0	0	109.1	Q719	Q719-S721 PolarHBondContact O-N 3.16Å; Q719-S721 VanDerWaalsContact O-N 3.15Å
722	N	23.2	Very low	28.3	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	73%	0.732	S	S	*	*			trans	-97.9	100.9	168.8	-86.7	-18.6	0	0	0	109
723	F	24.1	Very low	28.1	Very low	190 Å²	190	139.3 Å²	139.3	83%	0.833	73%	0.729	S	S	*	*			trans	-118.4	91.1	165.7	-101	-84.3	0	0	0	108.8
724	F	23.1	Very low	28.1	Very low	175 Å²	175	139.4 Å²	139.4	77%	0.768	73%	0.729	S	S	*	*			trans	-144.6	152.3	154.3	-93.4	-76.4	0	0	0	108.3
725	Y	27.6	Very low	28.4	Very low	210 Å²	210	140.7 Å²	140.7	82%	0.824	73%	0.727	S	S	*	*			trans	84.7	86.9	-167.9	-60.4	-77.9	0	0	0	114.3
726	R	32	Very low	28.6	Very low	132 Å²	132	140 Å²	140	50%	0.498	73%	0.728	S	S	.	*			trans	-138.8	96.8	154.5	-143.7	173.7	-166.1	-176.1	7.1	115.1	S728 Y729 E732	R726-S728 CarbonylContact O-C 3.57Å; R726-S728 VanDerWaalsContact O-CA 3.26Å; R726-S728 WeakPolarHBondContact O-CA 3.1Å; R726-Y729 HydrophobicContact CB-CE1 3.95Å; R726-Y729 WeakPolarHBondContact O-CA 3.49Å; R726-Y729 WeakPolarHBondContact O-CD1 3.21Å; R726-Y729 WeakPolarHBondContact O-CD2 3.31Å; R726-Y729 VanDerWaalsContact O-CE1 3.3Å; R726-Y729 WeakPolarHBondContact O-CE1 3.03Å; R726-Y729 WeakPolarHBondContact O-CE2 3.44Å; R726-Y729 PolarHBondContact O-N 3.06Å; R726-E732 IonicContact NH1-OE1 2.83Å
727	S	34.1	Very low	28.8	Very low	85 Å²	85	141.1 Å²	141.1	59%	0.594	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.7	10.6	144.8	-67.8	0	0	0	0	123.1	Y729	S727-Y729 PolarHBondContact O-N 2.64Å
728	S	45	Very low	29.2	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn		-66.9	76.2	-56.2	-64.8	0	0	0	0	107.3	R726	R726-S728 CarbonylContact O-C 3.57Å; R726-S728 VanDerWaalsContact O-CA 3.26Å; R726-S728 WeakPolarHBondContact O-CA 3.1Å
729	Y	35.6	Very low	29.2	Very low	132 Å²	132	141.2 Å²	141.2	52%	0.518	74%	0.736	S	S	.	*	S	Bend	trans	86.2	82.5	165	-51.4	-81.1	0	0	0	119.2	R726 S727	R726-Y729 HydrophobicContact CB-CE1 3.95Å; R726-Y729 WeakPolarHBondContact O-CA 3.49Å; R726-Y729 WeakPolarHBondContact O-CD1 3.21Å; R726-Y729 WeakPolarHBondContact O-CD2 3.31Å; R726-Y729 VanDerWaalsContact O-CE1 3.3Å; R726-Y729 WeakPolarHBondContact O-CE1 3.03Å; R726-Y729 WeakPolarHBondContact O-CE2 3.44Å; R726-Y729 PolarHBondContact O-N 3.06Å; S727-Y729 PolarHBondContact O-N 2.64Å
730	F	31.9	Very low	29.2	Very low	179 Å²	179	141.1 Å²	141.1	79%	0.785	73%	0.733	S	S	*	*	S	Bend	trans	-148.7	20.9	141.3	-142.5	-100	0	0	0	115
731	V	33.4	Very low	29.3	Very low	92 Å²	92	142.4 Å²	142.4	56%	0.558	73%	0.732	S	S	*	*	S	Bend	trans	-100.1	15.2	176.7	-175.8	0	0	0	0	111.9
732	E	31.9	Very low	29.2	Very low	111 Å²	111	146.1 Å²	146.1	52%	0.519	74%	0.737	S	S	.	*			trans	-138.8	59.5	-172.7	-138.9	164.6	-134.6	0	0	113.8	R726	R726-E732 IonicContact NH1-OE1 2.83Å
733	T	30.7	Very low	29.2	Very low	125 Å²	125	144.5 Å²	144.5	77%	0.767	74%	0.736	S	S	*	*	S	Bend	trans	-132.4	26.6	156.7	-41.3	0	0	0	0	112.9
734	V	30.5	Very low	29	Very low	138 Å²	138	144 Å²	144	84%	0.836	74%	0.739	S	S	*	*	S	Bend	trans	-149.4	49	164.1	-159.7	0	0	0	0	111.4
735	N	29.8	Very low	29	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	74%	0.735	S	S	*	*			trans	-139	16.6	169.7	-98.7	-24.3	0	0	0	114.7
736	L	28.2	Very low	28.8	Very low	174 Å²	174	135.2 Å²	135.2	91%	0.911	73%	0.73	S	S	*	*	S	Bend	trans	-109.5	56	167.8	-145.5	85.4	0	0	0	111.8
737	C	27.4	Very low	28.3	Very low	132 Å²	132	134 Å²	134	89%	0.892	74%	0.742	S	S	*	*	S	Bend	trans	-167.6	65.6	153.4	-104.1	0	0	0	0	110.9
738	S	28.8	Very low	27.8	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	75%	0.753	S	S	*	*	S	Bend	trans	-166.6	144.5	146.5	-151	0	0	0	0	110.8
739	M	26.1	Very low	26.7	Very low	163 Å²	163	138.8 Å²	138.8	80%	0.803	76%	0.761	S	S	*	*			trans	87.1	84.5	171.5	-55.1	-69.7	-79.2	0	0	117.7
740	K	24.2	Very low	26.1	Very low	188 Å²	188	137 Å²	137	82%	0.817	77%	0.774	S	S	*	*			trans	-113.9	142.8	130.9	-89.1	-173.4	177.4	178.4	0	109
741	F	23.4	Very low	25.7	Very low	171 Å²	171	137.6 Å²	137.6	75%	0.75	78%	0.776	S	S	*	*			trans	93.2	104.9	170.8	-59.7	-75.3	0	0	0	117.5
742	H	22.6	Very low	25.2	Very low	185 Å²	185	142 Å²	142	86%	0.856	79%	0.793	S	S	*	*				-176.4	143.1	88.8	-99.6	-33.5	0	0	0	112.5
743	S	22.2	Very low	24.8	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	80%	0.797	S	S	*	*			trans	-156.1	156.8	131.8	86.5	0	0	0	0	111.8
744	M	21.5	Very low	24.6	Very low	181 Å²	181	145.5 Å²	145.5	89%	0.892	80%	0.801	S	S	*	*			trans	95	149.5	168.9	-66.4	-171.6	71.5	0	0	119.6
745	S	22.3	Very low	24.2	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	80%	0.797	S	S	*	*			trans	-120.9	161.7	-130.3	49.2	0	0	0	0	114.3
746	S	23	Very low	23.9	Very low	104 Å²	104	147.7 Å²	147.7	73%	0.727	80%	0.798	S	S	*	*			trans	71.7	126.7	150.1	59.8	0	0	0	0	122.6
747	S	22.4	Very low	23.7	Very low	106 Å²	106	144.1 Å²	144.1	74%	0.741	79%	0.788	S	S	*	*			trans	85	132.2	141.5	46.8	0	0	0	0	122.8
748	D	22.5	Very low	23.8	Very low	156 Å²	156	145.6 Å²	145.6	83%	0.834	79%	0.786	S	S	*	*			trans	92.8	99.1	156.4	-68.2	-12.6	0	0	0	122.7
749	C	21.7	Very low	24.3	Very low	127 Å²	127	145.5 Å²	145.5	86%	0.858	78%	0.783	S	S	*	*				49.9	111.4	122.5	-152.8	0	0	0	0	120.1
750	A	24.1	Very low	24.3	Very low	94 Å²	94	143.5 Å²	143.5	78%	0.777	78%	0.78	S	S	*	*				166.3	130.6	111.5	0	0	0	0	0	115
751	K	23.5	Very low	24.7	Very low	193 Å²	193	142.8 Å²	142.8	84%	0.839	78%	0.779	S	S	*	*			trans	-10.4	130	155.2	-61.5	165.8	179.1	170.6	0	120
752	M	23.1	Very low	24.8	Very low	184 Å²	184	143 Å²	143	91%	0.906	79%	0.787	S	S	*	*				168.6	115.5	117.6	-100.6	-173.5	-89	0	0	109.1
753	S	23.4	Very low	25	Very low	86 Å²	86	143.2 Å²	143.2	60%	0.601	79%	0.786	S	S	*	*				88.8	119.1	73.3	-168	0	0	0	0	113.8
754	R	25.4	Very low	25.9	Very low	224 Å²	224	142.8 Å²	142.8	85%	0.845	78%	0.78	S	S	*	*			trans	74.5	148.3	151.8	-70.8	167.7	-169.6	-160	3.4	117.1
755	K	22.9	Very low	26	Very low	175 Å²	175	140.6 Å²	140.6	76%	0.761	77%	0.773	S	S	*	*			cis	173.9	149.2	-13.2	-121.2	-175.7	165.1	-173.8	0	104.2
756	L	23.4	Very low	26.2	Very low	145 Å²	145	142.5 Å²	142.5	76%	0.759	78%	0.775	S	S	*	*			trans	65.7	149.6	154.8	-87.4	92	0	0	0	117
757	S	23.6	Very low	26.4	Very low	99 Å²	99	144 Å²	144	69%	0.692	77%	0.774	S	S	*	*			cis	-179.6	144.2	0.4	41.5	0	0	0	0	107.6
758	L	28.8	Very low	26.5	Very low	163 Å²	163	145.7 Å²	145.7	85%	0.853	77%	0.77	S	S	*	*			trans	-61.8	164.1	150.4	-89	135.9	0	0	0	109.2
759	P	41.1	Very low	26.7	Very low	108 Å²	108	150.2 Å²	150.2	70%	0.701	78%	0.775	S	S	*	*			cis	-158.9	-176.8	43	34.9	-8	0	0	0	118.9
760	T	25.5	Very low	26.8	Very low	121 Å²	121	149.9 Å²	149.9	74%	0.742	77%	0.765	S	S	*	*			trans	94.4	141.7	140.4	-1.9	0	0	0	0	123.3
761	E	32.3	Very low	26.8	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.804	77%	0.766	S	S	*	*			trans	-52.1	158.3	179.8	-54.4	174.3	144.2	0	0	117.1
762	L	25.3	Very low	26.9	Very low	175 Å²	175	148.3 Å²	148.3	92%	0.916	76%	0.761	S	S	*	*				174.1	127.5	128.2	-91	152.1	0	0	0	111.9
763	K	27.5	Very low	26.9	Very low	191 Å²	191	149.7 Å²	149.7	83%	0.83	76%	0.763	S	S	*	*			trans	-94.4	166.2	153	-115.4	-172.1	177.5	-177.6	0	107.3
764	P	41	Very low	27	Very low	98 Å²	98	151.1 Å²	151.1	64%	0.636	77%	0.773	S	S	*	*			cis	-152.1	-167.4	40.9	40.3	-15.7	0	0	0	116.2
765	D	24.1	Very low	27.1	Very low	136 Å²	136	152 Å²	152	73%	0.727	78%	0.776	S	S	*	*			trans	69.6	144.2	156.1	-63.4	-10.3	0	0	0	120.7
766	L	26.3	Very low	27.2	Very low	136 Å²	136	149.9 Å²	149.9	71%	0.712	78%	0.783	S	S	*	*			cis	-179.2	171.8	-23.2	-121.2	164.1	0	0	0	106.2
767	D	26.1	Very low	27.4	Very low	134 Å²	134	154.4 Å²	154.4	72%	0.717	79%	0.79	S	S	*	*			trans	84.6	135.8	168.8	-60.1	-5.6	0	0	0	119.1
768	H	25.8	Very low	27.5	Very low	143 Å²	143	154.9 Å²	154.9	66%	0.662	79%	0.794	S	S	*	*			cis	-173.1	129.4	-24.5	-123	-65.9	0	0	0	104.4
769	R	25.7	Very low	27.7	Very low	250 Å²	250	152.1 Å²	152.1	94%	0.943	79%	0.788	S	S	*	*			trans	-165	110.6	143.1	-111.1	-175.4	-171.9	-145.1	2	111.3
770	D	24.8	Very low	26.9	Very low	121 Å²	121	152.2 Å²	152.2	65%	0.647	79%	0.791	S	S	*	*			trans	-55	129.6	170	-84.4	-55.4	0	0	0	112.7
771	N	23.9	Very low	27	Very low	146 Å²	146	153.7 Å²	153.7	78%	0.781	80%	0.8	S	S	*	*				76.4	102.1	85.8	-83.9	-35.6	0	0	0	115.5
772	S	23.9	Very low	26.9	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	80%	0.796	S	S	*	*			trans	-156.4	89.5	136.1	68.5	0	0	0	0	111.2
773	F	24.9	Very low	27.1	Very low	213 Å²	213	147.5 Å²	147.5	93%	0.934	79%	0.785	S	S	*	*			trans	-137.8	97.2	154.9	-91.4	-76.9	0	0	0	109.7
774	S	23.8	Very low	27.2	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	79%	0.787	S	S	*	*			trans	-81.7	128.5	161.2	-82.4	0	0	0	0	109.5
775	R	29	Very low	26.8	Very low	243 Å²	243	148.9 Å²	148.9	92%	0.917	79%	0.794	S	S	*	*			trans	32.2	118.5	150.3	-69.8	177.8	169.6	167.7	-2.1	118.4
776	S	23.3	Very low	27.2	Very low	130 Å²	130	151.1 Å²	151.1	91%	0.909	80%	0.798	S	S	*	*			trans	-148.7	131.3	134.8	-78.5	0	0	0	0	111.2
777	R	29.3	Very low	27.9	Very low	241 Å²	241	153.1 Å²	153.1	91%	0.909	80%	0.803	S	S	*	*			trans	-77.7	166.7	166.3	-77.4	173.2	157.1	157.5	-7.1	109.5
778	S	25.3	Very low	29.2	Very low	109 Å²	109	151 Å²	151	76%	0.762	81%	0.805	S	S	*	*			trans	94	116.2	171.5	-67.4	0	0	0	0	114.8
779	S	32.1	Very low	31.5	Very low	105 Å²	105	149.9 Å²	149.9	73%	0.734	79%	0.794	S	S	*	*				72.1	93.6	56	77.8	0	0	0	0	113.7
780	S	26.1	Very low	34.5	Very low	109 Å²	109	139 Å²	139	76%	0.762	76%	0.755	S	S	*	*			trans	179.7	102.9	149.6	44.8	0	0	0	0	110.5
781	V	26.9	Very low	37.7	Very low	153 Å²	153	134.2 Å²	134.2	93%	0.927	73%	0.731	S	S	*	*			trans	-108.9	101.5	149.6	-175.2	0	0	0	0	104.8
782	T	29.1	Very low	41.1	Very low	120 Å²	120	127.2 Å²	127.2	74%	0.736	69%	0.694	S	S	*	*			trans	-140.6	148.7	168.2	45.5	0	0	0	0	108.2
783	S	30.8	Very low	44.5	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	67%	0.669	S	S	*	*			trans	92.4	72.5	168.6	85.1	0	0	0	0	117.9
784	I	28.6	Very low	47.9	Very low	170 Å²	170	114 Å²	114	87%	0.872	63%	0.628	S	S	*	*				-125.8	97.9	118.4	-91.7	169.1	0	0	0	105.2	K786	I784-K786 PolarHBondContact O-N 3.38Å
785	D	32.2	Very low	51.4	Low	147 Å²	147	109.7 Å²	109.7	79%	0.786	60%	0.595	S	S	*	*			trans	-81.6	101.8	175.4	-80.8	-41.5	0	0	0	108.8
786	K	34.2	Very low	54.7	Low	184 Å²	184	99.5 Å²	99.5	80%	0.8	56%	0.558	S	S	*	*			trans	-101.1	108.6	138.9	-84.8	-174.4	175.5	-177.9	0	104.7	I784 A788	I784-K786 PolarHBondContact O-N 3.38Å; K786-A788 PolarHBondContact O-N 3.09Å; K786-A788 VanDerWaalsContact O-N 3.13Å
787	E	39.6	Very low	58.1	Low	177 Å²	177	93.7 Å²	93.7	83%	0.827	52%	0.516	S	S	*	.			trans	-52.2	118.6	178.5	-72.4	168.9	157.7	0	0	109.7	R789	E787-R789 PolarHBondContact O-N 2.65Å; E787-R789 VanDerWaalsContact O-N 3.08Å
788	A	54.5	Low	61.2	Low	91 Å²	91	82.3 Å²	82.3	75%	0.752	47%	0.473	S	S	*	.			trans	-65.1	110.3	171.5	0	0	0	0	0	107.8	K786 E790	K786-A788 PolarHBondContact O-N 3.09Å; K786-A788 VanDerWaalsContact O-N 3.13Å; A788-E790 PolarHBondContact O-N 3.41Å
789	R	73.4	Confident	64.3	Low	118 Å²	118	80.8 Å²	80.8	45%	0.445	45%	0.454	S	S	.	.			trans	-59.5	123.8	178.3	-71.4	-173	177.6	-178.8	1	109.5	Y549 E787 A791	Y549-R789 PolarHBondContact OH-NE 3.16Å; E787-R789 PolarHBondContact O-N 2.65Å; E787-R789 VanDerWaalsContact O-N 3.08Å; R789-A791 PolarHBondContact O-N 2.93Å
790	E	88.2	Confident	67.2	Low	23 Å²	23	75.8 Å²	75.8	11%	0.107	42%	0.419	C	S	.	.			trans	-67.5	124.3	174.5	179.8	172.7	-156.3	0	0	110.3	T667 Y671 A788 T817 L819	T667-E790 HydrophobicContact CG2-CB 3.82Å; T667-E790 HydrophobicContact CG2-CG 3.59Å; T667-E790 PolarHBondContact OG1-O 3.19Å; Y671-E790 VanDerWaalsContact CE2-OE2 3.29Å; Y671-E790 WeakPolarHBondContact CE2-OE2 2.99Å; Y671-E790 VanDerWaalsContact OH-CD 3.26Å; Y671-E790 PolarHBondContact OH-OE1 2.86Å; Y671-E790 PolarHBondContact OH-OE2 2.85Å; A788-E790 PolarHBondContact O-N 3.41Å; E790-T817 WeakPolarHBondContact OE1-CB 3.3Å; E790-T817 VanDerWaalsContact OE1-CG2 3.3Å; E790-T817 WeakPolarHBondContact OE1-CG2 3.23Å; E790-T817 PolarHBondContact OE1-OG1 2.89Å; E790-L819 HydrophobicContact CB-CD1 3.84Å; E790-L819 HydrophobicContact CB-CG 4.01Å; E790-L819 HydrophobicContact CG-CB 4.46Å; E790-L819 HydrophobicContact CG-CD1 3.93Å; E790-L819 HydrophobicContact CG-CG 3.82Å
791	A	92.2	Very high	70.3	Confident	19 Å²	19	71.3 Å²	71.3	16%	0.157	39%	0.386	C	S	.	.			trans	-108.2	152.9	172	0	0	0	0	0	112.6	R789 S818	R789-A791 PolarHBondContact O-N 2.93Å; A791-S818 PolarHBondContact N-OG 3.37Å; A791-S818 WeakPolarHBondContact O-CB 3.47Å; A791-S818 PolarHBondContact O-N 2.97Å; A791-S818 PolarHBondContact O-OG 2.89Å; A791-S818 VanDerWaalsContact O-OG 3.04Å
792	V	95.8	Very high	73.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.8	171.6	-174	0	0	0	0	109.5	T632 S633 N647 L651 L670 F795 V815	T632-V792 WeakPolarHBondContact CB-O 3.2Å; T632-V792 PolarHBondContact OG1-O 2.76Å; S633-V792 PolarHBondContact OG-O 3.04Å; N647-V792 PolarHBondContact O-N 3.42Å; L651-V792 HydrophobicContact CB-CG2 4.37Å; L670-V792 HydrophobicContact CD1-CG2 4.43Å; V792-F795 HydrophobicContact CB-CZ 4.36Å; V792-F795 HydrophobicContact CG1-CD1 4.35Å; V792-F795 HydrophobicContact CG1-CE1 3.45Å; V792-F795 VanDerWaalsContact CG1-CE1 3.45Å; V792-F795 HydrophobicContact CG1-CE2 4.12Å; V792-F795 HydrophobicContact CG1-CZ 3.31Å; V792-V815 HydrophobicContact CG1-CG1 3.69Å
793	S	95.7	Very high	76.1	Confident	31 Å²	31	64.7 Å²	64.7	22%	0.217	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-25.6	-167.7	65.3	0	0	0	0	114.4	G816 T817 S855 I856	S793-G816 PolarHBondContact N-O 2.86Å; S793-G816 VanDerWaalsContact OG-C 3.32Å; S793-G816 PolarHBondContact OG-O 3.06Å; S793-T817 VanDerWaalsContact OG-C 3.25Å; S793-T817 PolarHBondContact OG-N 3.21Å; S793-T817 PolarHBondContact OG-O 2.82Å; S793-S855 VanDerWaalsContact CB-OG 3.31Å; S793-S855 WeakPolarHBondContact CB-OG 3.46Å; S793-S855 PolarHBondContact OG-OG 3.07Å; S793-I856 WeakPolarHBondContact CB-O 3.37Å; S793-I856 PolarHBondContact OG-O 3Å
794	S	96.8	Very high	78.9	Confident	12 Å²	12	67.6 Å²	67.6	8%	0.084	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	156.9	-179.7	53.6	0	0	0	0	112.4	G816 I856	S794-G816 PolarHBondContact N-O 2.95Å; S794-G816 PolarHBondContact O-N 3.38Å; S794-I856 WeakPolarHBondContact OG-CG2 3.39Å; S794-I856 PolarHBondContact OG-O 2.95Å
795	F	97.4	Very high	81.6	Confident	24 Å²	24	62.3 Å²	62.3	11%	0.105	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.5	176.9	-63.4	-63.4	0	0	0	110.8	S633 A635 V644 L651 V792 L813 Y814 V815	S633-F795 WeakPolarHBondContact OG-CE2 3.12Å; A635-F795 HydrophobicContact CB-CB 3.64Å; A635-F795 HydrophobicContact CB-CD2 4.47Å; A635-F795 HydrophobicContact CB-CG 4.48Å; V644-F795 HydrophobicContact CG1-CB 3.88Å; V644-F795 HydrophobicContact CG1-CD1 4.03Å; V644-F795 HydrophobicContact CG1-CD2 3.76Å; V644-F795 HydrophobicContact CG1-CE1 4.5Å; V644-F795 HydrophobicContact CG1-CE2 4.26Å; V644-F795 HydrophobicContact CG1-CG 3.62Å; V644-F795 HydrophobicContact CG2-CD1 3.91Å; V644-F795 HydrophobicContact CG2-CD2 4.22Å; V644-F795 HydrophobicContact CG2-CE1 3.58Å; V644-F795 HydrophobicContact CG2-CE2 3.91Å; V644-F795 HydrophobicContact CG2-CG 4.21Å; V644-F795 HydrophobicContact CG2-CZ 3.58Å; L651-F795 HydrophobicContact CB-CE1 4.26Å; L651-F795 HydrophobicContact CB-CZ 4.03Å; L651-F795 HydrophobicContact CD2-CE1 4.07Å; V792-F795 HydrophobicContact CB-CZ 4.36Å; V792-F795 HydrophobicContact CG1-CD1 4.35Å; V792-F795 HydrophobicContact CG1-CE1 3.45Å; V792-F795 VanDerWaalsContact CG1-CE1 3.45Å; V792-F795 HydrophobicContact CG1-CE2 4.12Å; V792-F795 HydrophobicContact CG1-CZ 3.31Å; F795-L813 HydrophobicContact CB-CD1 4.13Å; F795-L813 HydrophobicContact CD1-CD1 4.13Å; F795-L813 HydrophobicContact CG-CD1 4.49Å; F795-Y814 CarbonylContact C-O 3.57Å; F795-Y814 WeakPolarHBondContact CA-O 3.33Å; F795-V815 HydrophobicContact CD1-CB 4.45Å; F795-V815 HydrophobicContact CD1-CG1 4.29Å; F795-V815 HydrophobicContact CD1-CG2 4.06Å; F795-V815 HydrophobicContact CE1-CB 4.44Å; F795-V815 HydrophobicContact CE1-CG1 3.89Å; F795-V815 HydrophobicContact CE1-CG2 4.06Å
796	H	96.4	Very high	84.2	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	122.3	170.1	-165.7	94	0	0	0	111	Y814 M859 F861	H796-Y814 PolarHBondContact N-O 2.87Å; H796-Y814 PolarHBondContact O-N 2.87Å; H796-M859 HydrophobicContact CB-CB 4.04Å; H796-M859 HydrophobicContact CB-CE 4.02Å; H796-M859 PolarHBondContact ND1-O 2.97Å; H796-M859 VanDerWaalsContact ND1-O 3.13Å; H796-F861 AromaticContact CD2-CD2 3.45Å; H796-F861 VanDerWaalsContact CD2-CD2 3.45Å; H796-F861 WeakPolarHBondContact CD2-CD2 3.26Å; H796-F861 AromaticContact CD2-CE2 3.38Å; H796-F861 WeakPolarHBondContact CD2-CE2 3.44Å; H796-F861 AromaticContact NE2-CD2 3.5Å; H796-F861 AromaticContact NE2-CE2 3.94Å
797	F	95.8	Very high	86.5	Confident	7 Å²	7	53 Å²	53	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.1	170.4	-72.9	-76.7	0	0	0	109.7	A635 N637 Y640 L642 V644 C812 L813 L827	A635-F797 HydrophobicContact CB-CD2 4.4Å; A635-F797 HydrophobicContact CB-CE2 4.3Å; N637-F797 HydrophobicContact CB-CB 3.97Å; N637-F797 HydrophobicContact CB-CD1 4.25Å; N637-F797 HydrophobicContact CB-CD2 3.67Å; N637-F797 HydrophobicContact CB-CE2 4.15Å; N637-F797 HydrophobicContact CB-CG 3.72Å; Y640-F797 AromaticContact CD2-CD1 3.92Å; Y640-F797 HydrophobicContact CD2-CD1 3.92Å; Y640-F797 HydrophobicContact CD2-CE1 4.48Å; Y640-F797 HydrophobicContact CD2-CG 4.48Å; Y640-F797 HydrophobicContact CE2-CB 4.28Å; Y640-F797 HydrophobicContact CE2-CD1 4.15Å; L642-F797 HydrophobicContact CB-CE1 4.25Å; L642-F797 HydrophobicContact CB-CZ 3.97Å; L642-F797 HydrophobicContact CD1-CE1 4.06Å; V644-F797 HydrophobicContact CB-CE2 4.5Å; V644-F797 HydrophobicContact CB-CZ 4.25Å; V644-F797 HydrophobicContact CG1-CE2 3.68Å; V644-F797 HydrophobicContact CG1-CZ 3.85Å; F797-C812 WeakPolarHBondContact CA-O 3.45Å; F797-L813 HydrophobicContact CD1-CB 4.03Å; F797-L813 HydrophobicContact CD1-CD1 4.1Å; F797-L813 HydrophobicContact CD2-CD1 4.42Å; F797-L813 HydrophobicContact CE1-CB 3.85Å; F797-L813 HydrophobicContact CE1-CD1 3.91Å; F797-L813 HydrophobicContact CE1-CD2 4.18Å; F797-L813 HydrophobicContact CE1-CG 4.19Å; F797-L813 HydrophobicContact CE2-CD1 4.25Å; F797-L813 HydrophobicContact CG-CD1 4.36Å; F797-L813 HydrophobicContact CZ-CD1 3.99Å; F797-L813 HydrophobicContact CZ-CD2 4.27Å; F797-L827 HydrophobicContact CD1-CD1 4Å; F797-L827 HydrophobicContact CE1-CD1 3.97Å
798	C	93.4	Very high	88.7	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.6	176.5	-173.3	0	0	0	0	110.3	C812 F861	C798-C812 PolarHBondContact N-O 3.24Å; C798-C812 VanDerWaalsContact N-O 3.08Å; C798-C812 PolarHBondContact O-N 3.09Å; C798-F861 HydrophobicContact CB-CD2 3.96Å; C798-F861 HydrophobicContact CB-CE2 4.29Å; C798-F861 HydrophobicContact CB-CG 4.36Å
799	E	91.8	Very high	90.4	Very high	76 Å²	76	46.1 Å²	46.1	36%	0.355	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.8	169.5	-173.9	171.3	-167.5	0	0	109.2	L809	E799-L809 HydrophobicContact CG-CB 4.07Å
800	T	92.6	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	-177.4	-172.6	-170.8	0	0	0	0	111.2	A802 T810 C812 Y814 F861 Q911 L926	T800-A802 PolarHBondContact O-N 3.11Å; T800-T810 PolarHBondContact N-O 2.9Å; T800-T810 PolarHBondContact O-N 3.2Å; T800-T810 PolarHBondContact O-OG1 2.9Å; T800-T810 VanDerWaalsContact O-OG1 3.08Å; T800-C812 HydrophobicContact CG2-CB 4.33Å; T800-Y814 HydrophobicContact CG2-CE2 3.47Å; T800-Y814 VanDerWaalsContact CG2-CE2 3.47Å; T800-Y814 VanDerWaalsContact CG2-OH 3.25Å; T800-Y814 WeakPolarHBondContact CG2-OH 3.06Å; T800-F861 HydrophobicContact CG2-CD1 4.24Å; T800-F861 HydrophobicContact CG2-CE1 4.06Å; T800-Q911 VanDerWaalsContact CB-OE1 3.25Å; T800-Q911 PolarHBondContact OG1-OE1 3.4Å; T800-L926 HydrophobicContact CG2-CD1 4.49Å; T800-L926 WeakPolarHBondContact OG1-CD1 3.18Å
801	F	91.1	Very high	91.5	Very high	15 Å²	15	42.5 Å²	42.5	7%	0.066	24%	0.242	C	C	.	.			trans	-72.5	119.1	176.8	-55.8	-81.7	0	0	0	110.6	D806 L809 Y814 E909 Q911 L926 P927	F801-D806 HydrophobicContact CB-CB 4.3Å; F801-D806 HydrophobicContact CD1-CB 4Å; F801-D806 WeakPolarHBondContact CD1-O 3.34Å; F801-L809 HydrophobicContact CD1-CD2 4.15Å; F801-L809 HydrophobicContact CD2-CD2 3.9Å; F801-L809 HydrophobicContact CE1-CD2 3.86Å; F801-L809 HydrophobicContact CE2-CD2 3.6Å; F801-L809 HydrophobicContact CG-CD2 4.18Å; F801-L809 HydrophobicContact CZ-CD2 3.58Å; F801-Y814 PolarHBondContact O-OH 3.35Å; F801-E909 WeakPolarHBondContact CE2-O 3.47Å; F801-E909 WeakPolarHBondContact CZ-O 3.35Å; F801-Q911 HydrophobicContact CE2-CB 4.41Å; F801-Q911 HydrophobicContact CE2-CG 4.18Å; F801-L926 HydrophobicContact CB-CB 4.38Å; F801-L926 HydrophobicContact CD2-CB 3.79Å; F801-P927 HydrophobicContact CB-CB 3.76Å; F801-P927 HydrophobicContact CD1-CB 3.79Å; F801-P927 HydrophobicContact CD1-CG 4.19Å; F801-P927 HydrophobicContact CD2-CB 4.2Å; F801-P927 HydrophobicContact CE1-CB 4.41Å; F801-P927 HydrophobicContact CE1-CG 4.32Å; F801-P927 HydrophobicContact CG-CB 3.65Å; F801-P927 HydrophobicContact CG-CG 4.33Å
802	A	88.4	Confident	91.6	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	23%	0.234	C	C	.	.			trans	-77	-36.5	-178.4	0	0	0	0	0	112.5	T800 D806 T810 A826 T846	T800-A802 PolarHBondContact O-N 3.11Å; A802-D806 PolarHBondContact N-OD2 2.9Å; A802-T810 WeakPolarHBondContact CB-OG1 3.23Å; A802-A826 HydrophobicContact CB-CB 3.96Å; A802-T846 HydrophobicContact CB-CG2 4.1Å; A802-T846 PolarHBondContact O-OG1 3.38Å
803	R	89.7	Confident	91.6	Very high	131 Å²	131	41.6 Å²	41.6	49%	0.494	23%	0.234	S	C	.	.	S	Bend	trans	-125.5	160.5	-173.4	-58.5	171.6	-176.7	157.3	1.7	111.9	G805 D806 T846	R803-G805 PolarHBondContact O-N 3.32Å; R803-D806 WeakPolarHBondContact CA-OD2 3.4Å; R803-D806 WeakPolarHBondContact CB-OD2 3.38Å; R803-D806 PolarHBondContact N-OD2 3.34Å; R803-D806 PolarHBondContact O-N 3.11Å; R803-T846 HydrophobicContact CG-CG2 4.08Å
804	K	89.4	Confident	91.7	Very high	157 Å²	157	40.1 Å²	40.1	68%	0.683	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	122.5	176	-173.5	177.6	179.7	179.5	0	110.4	P927 S928 Q929	K804-P927 VanDerWaalsContact CA-O 3.27Å; K804-P927 WeakPolarHBondContact CA-O 3.48Å; K804-S928 WeakPolarHBondContact CE-O 3.47Å; K804-Q929 HydrophobicContact CB-CG 4.3Å
805	G	84.8	Confident	91.7	Very high	59 Å²	59	39.6 Å²	39.6	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	12.1	178.8	0	0	0	0	0	115.3	R803 P927	R803-G805 PolarHBondContact O-N 3.32Å; G805-P927 PolarHBondContact N-O 2.74Å
806	D	86.8	Confident	91.7	Very high	43 Å²	43	38.5 Å²	38.5	23%	0.23	22%	0.215	C	C	.	.			trans	-58	142.3	171.1	-80.7	-12.4	0	0	0	111.1	F801 A802 R803 P927	F801-D806 HydrophobicContact CB-CB 4.3Å; F801-D806 HydrophobicContact CD1-CB 4Å; F801-D806 WeakPolarHBondContact CD1-O 3.34Å; A802-D806 PolarHBondContact N-OD2 2.9Å; R803-D806 WeakPolarHBondContact CA-OD2 3.4Å; R803-D806 WeakPolarHBondContact CB-OD2 3.38Å; R803-D806 PolarHBondContact N-OD2 3.34Å; R803-D806 PolarHBondContact O-N 3.11Å; D806-P927 WeakPolarHBondContact O-CB 3.32Å; D806-P927 WeakPolarHBondContact O-CG 3.45Å
807	C	83.2	Confident	91.7	Very high	94 Å²	94	37 Å²	37	64%	0.635	21%	0.209	S	C	*	.	S	Bend	trans	-102.4	1.5	176.8	63.6	0	0	0	0	113	L907	C807-L907 HydrophobicContact CB-CD2 4.49Å; C807-L907 WeakPolarHBondContact O-CD2 3.38Å
808	A	86.1	Confident	91.6	Very high	56 Å²	56	38.5 Å²	38.5	46%	0.463	22%	0.22	S	C	.	.	S	Bend	trans	-136.8	146.8	-178.3	0	0	0	0	0	110.4
809	L	89.8	Confident	91.6	Very high	66 Å²	66	40.9 Å²	40.9	35%	0.346	23%	0.232	S	C	.	.			trans	-74.7	144.9	171.2	-54	178.3	0	0	0	109.5	E799 F801	E799-L809 HydrophobicContact CG-CB 4.07Å; F801-L809 HydrophobicContact CD1-CD2 4.15Å; F801-L809 HydrophobicContact CD2-CD2 3.9Å; F801-L809 HydrophobicContact CE1-CD2 3.86Å; F801-L809 HydrophobicContact CE2-CD2 3.6Å; F801-L809 HydrophobicContact CG-CD2 4.18Å; F801-L809 HydrophobicContact CZ-CD2 3.58Å
810	T	90.5	Very high	91.7	Very high	41 Å²	41	37.3 Å²	37.3	25%	0.252	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.5	179.2	55.1	0	0	0	0	109.4	T800 A802 C812	T800-T810 PolarHBondContact N-O 2.9Å; T800-T810 PolarHBondContact O-N 3.2Å; T800-T810 PolarHBondContact O-OG1 2.9Å; T800-T810 VanDerWaalsContact O-OG1 3.08Å; A802-T810 WeakPolarHBondContact CB-OG1 3.23Å; T810-C812 PolarHBondContact O-N 2.82Å; T810-C812 PolarHBondContact O-SG 3.39Å; T810-C812 PolarHBondContact OG1-SG 3.28Å; T810-C812 VanDerWaalsContact OG1-SG 3.42Å
811	P	93.6	Very high	91.9	Very high	25 Å²	25	37.3 Å²	37.3	16%	0.162	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	126.7	168	-27.1	37.7	0	0	0	110.3	Y640 L827 L829	Y640-P811 HydrophobicContact CE1-CB 4.32Å; Y640-P811 HydrophobicContact CE2-CB 4.04Å; P811-L827 HydrophobicContact CB-CB 4.1Å; P811-L827 HydrophobicContact CB-CD1 4.45Å; P811-L827 WeakPolarHBondContact O-CA 3.22Å; P811-L827 WeakPolarHBondContact O-CB 3.37Å; P811-L827 PolarHBondContact O-N 3.02Å; P811-L829 HydrophobicContact CB-CD1 4.08Å; P811-L829 HydrophobicContact CB-CG 4.36Å; P811-L829 HydrophobicContact CG-CD1 3.9Å; P811-L829 HydrophobicContact CG-CG 4.3Å
812	C	94.4	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.2	-174.6	-67.9	0	0	0	0	111.1	F797 C798 T800 T810 Y814 V824 L825	F797-C812 WeakPolarHBondContact CA-O 3.45Å; C798-C812 PolarHBondContact N-O 3.24Å; C798-C812 VanDerWaalsContact N-O 3.08Å; C798-C812 PolarHBondContact O-N 3.09Å; T800-C812 HydrophobicContact CG2-CB 4.33Å; T810-C812 PolarHBondContact O-N 2.82Å; T810-C812 PolarHBondContact O-SG 3.39Å; T810-C812 PolarHBondContact OG1-SG 3.28Å; T810-C812 VanDerWaalsContact OG1-SG 3.42Å; C812-Y814 HydrophobicContact CB-CD2 4.05Å; C812-Y814 HydrophobicContact CB-CE2 3.61Å; C812-V824 HydrophobicContact CB-CG1 4.37Å; C812-L825 CarbonylContact C-O 3.58Å; C812-L825 WeakPolarHBondContact CA-O 3.31Å
813	L	96.3	Very high	92.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.7	163.5	169.6	60.5	0	0	0	108.8	V644 V653 F795 F797 V815 L825 L827	V644-L813 HydrophobicContact CB-CD2 4.14Å; V644-L813 HydrophobicContact CG1-CD1 4.01Å; V644-L813 HydrophobicContact CG1-CD2 4.3Å; V644-L813 HydrophobicContact CG2-CD2 3.92Å; V653-L813 HydrophobicContact CG2-CD2 3.85Å; F795-L813 HydrophobicContact CB-CD1 4.13Å; F795-L813 HydrophobicContact CD1-CD1 4.13Å; F795-L813 HydrophobicContact CG-CD1 4.49Å; F797-L813 HydrophobicContact CD1-CB 4.03Å; F797-L813 HydrophobicContact CD1-CD1 4.1Å; F797-L813 HydrophobicContact CD2-CD1 4.42Å; F797-L813 HydrophobicContact CE1-CB 3.85Å; F797-L813 HydrophobicContact CE1-CD1 3.91Å; F797-L813 HydrophobicContact CE1-CD2 4.18Å; F797-L813 HydrophobicContact CE1-CG 4.19Å; F797-L813 HydrophobicContact CE2-CD1 4.25Å; F797-L813 HydrophobicContact CG-CD1 4.36Å; F797-L813 HydrophobicContact CZ-CD1 3.99Å; F797-L813 HydrophobicContact CZ-CD2 4.27Å; L813-V815 HydrophobicContact CG-CG2 4.21Å; L813-L825 HydrophobicContact CB-CB 4.26Å; L813-L825 HydrophobicContact CD2-CD1 4.03Å; L813-L825 HydrophobicContact CG-CD1 4.42Å; L813-L825 PolarHBondContact N-O 2.94Å; L813-L825 PolarHBondContact O-N 3.46Å; L813-L827 HydrophobicContact CB-CD1 4.41Å; L813-L827 HydrophobicContact CB-CD2 4.4Å
814	Y	96.5	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.3	172.7	-73.5	-101.6	0	0	0	110.2	F795 H796 T800 F801 C812 V822 L823 V824 L849 F861	F795-Y814 CarbonylContact C-O 3.57Å; F795-Y814 WeakPolarHBondContact CA-O 3.33Å; H796-Y814 PolarHBondContact N-O 2.87Å; H796-Y814 PolarHBondContact O-N 2.87Å; T800-Y814 HydrophobicContact CG2-CE2 3.47Å; T800-Y814 VanDerWaalsContact CG2-CE2 3.47Å; T800-Y814 VanDerWaalsContact CG2-OH 3.25Å; T800-Y814 WeakPolarHBondContact CG2-OH 3.06Å; F801-Y814 PolarHBondContact O-OH 3.35Å; C812-Y814 HydrophobicContact CB-CD2 4.05Å; C812-Y814 HydrophobicContact CB-CE2 3.61Å; Y814-V822 HydrophobicContact CD1-CG1 3.84Å; Y814-L823 WeakPolarHBondContact CA-O 3.35Å; Y814-V824 HydrophobicContact CD1-CB 4.48Å; Y814-V824 HydrophobicContact CD1-CG1 4.46Å; Y814-V824 HydrophobicContact CD1-CG2 3.61Å; Y814-V824 HydrophobicContact CE1-CB 4.24Å; Y814-V824 HydrophobicContact CE1-CG1 4.01Å; Y814-V824 HydrophobicContact CE1-CG2 3.28Å; Y814-V824 HydrophobicContact CE2-CG1 4.17Å; Y814-L849 HydrophobicContact CD1-CD2 4.39Å; Y814-L849 HydrophobicContact CE1-CD2 3.94Å; Y814-F861 AromaticContact CD1-CZ 3.75Å; Y814-F861 HydrophobicContact CD1-CZ 3.75Å; Y814-F861 HydrophobicContact CD2-CE1 4.32Å; Y814-F861 HydrophobicContact CD2-CE2 4.01Å; Y814-F861 AromaticContact CD2-CZ 3.49Å; Y814-F861 HydrophobicContact CD2-CZ 3.49Å; Y814-F861 VanDerWaalsContact CD2-CZ 3.49Å; Y814-F861 AromaticContact CE1-CE1 3.97Å; Y814-F861 HydrophobicContact CE1-CE1 3.97Å; Y814-F861 AromaticContact CE1-CZ 3.67Å; Y814-F861 HydrophobicContact CE1-CZ 3.67Å; Y814-F861 AromaticContact CE2-CE1 3.77Å; Y814-F861 HydrophobicContact CE2-CE1 3.77Å; Y814-F861 HydrophobicContact CE2-CE2 4.24Å; Y814-F861 AromaticContact CE2-CZ 3.41Å; Y814-F861 HydrophobicContact CE2-CZ 3.41Å; Y814-F861 VanDerWaalsContact CE2-CZ 3.41Å; Y814-F861 HydrophobicContact CG-CE2 4.27Å; Y814-F861 AromaticContact CG-CZ 3.66Å; Y814-F861 HydrophobicContact CG-CZ 3.66Å; Y814-F861 AromaticContact CZ-CE1 3.57Å; Y814-F861 AromaticContact CZ-CZ 3.5Å; Y814-F861 VanDerWaalsContact CZ-CZ 3.5Å
815	V	97.6	Very high	92.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116	-176.3	-177.2	0	0	0	0	108.9	L651 V792 F795 L813 V822 L823 L825	L651-V815 HydrophobicContact CD2-CB 4.45Å; L651-V815 HydrophobicContact CD2-CG1 3.84Å; L651-V815 HydrophobicContact CD2-CG2 3.79Å; V792-V815 HydrophobicContact CG1-CG1 3.69Å; F795-V815 HydrophobicContact CD1-CB 4.45Å; F795-V815 HydrophobicContact CD1-CG1 4.29Å; F795-V815 HydrophobicContact CD1-CG2 4.06Å; F795-V815 HydrophobicContact CE1-CB 4.44Å; F795-V815 HydrophobicContact CE1-CG1 3.89Å; F795-V815 HydrophobicContact CE1-CG2 4.06Å; L813-V815 HydrophobicContact CG-CG2 4.21Å; V815-V822 CarbonylContact O-C 3.57Å; V815-V822 WeakPolarHBondContact O-CA 3.35Å; V815-L823 HydrophobicContact CB-CB 4.34Å; V815-L823 PolarHBondContact N-O 3.03Å; V815-L823 PolarHBondContact O-N 3.25Å; V815-L825 HydrophobicContact CG2-CD1 4.1Å; V815-L825 HydrophobicContact CG2-CG 4.36Å
816	G	97.3	Very high	93.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143	172.9	0	0	0	0	0	111.5	S793 S794 T821	S793-G816 PolarHBondContact N-O 2.86Å; S793-G816 VanDerWaalsContact OG-C 3.32Å; S793-G816 PolarHBondContact OG-O 3.06Å; S794-G816 PolarHBondContact N-O 2.95Å; S794-G816 PolarHBondContact O-N 3.38Å; G816-T821 CarbonylContact C-O 3.47Å; G816-T821 WeakPolarHBondContact CA-O 3.43Å
817	T	96.3	Very high	93.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	159.6	178.6	81.1	0	0	0	0	113.1	E790 S793 L819 G820 T821 I856	E790-T817 WeakPolarHBondContact OE1-CB 3.3Å; E790-T817 VanDerWaalsContact OE1-CG2 3.3Å; E790-T817 WeakPolarHBondContact OE1-CG2 3.23Å; E790-T817 PolarHBondContact OE1-OG1 2.89Å; S793-T817 VanDerWaalsContact OG-C 3.25Å; S793-T817 PolarHBondContact OG-N 3.21Å; S793-T817 PolarHBondContact OG-O 2.82Å; T817-L819 PolarHBondContact O-N 2.98Å; T817-L819 PolarHBondContact OG1-N 2.91Å; T817-G820 PolarHBondContact O-N 2.85Å; T817-T821 PolarHBondContact N-O 2.93Å; T817-T821 WeakPolarHBondContact OG1-CB 3.11Å; T817-T821 PolarHBondContact OG1-N 3.22Å; T817-I856 PolarHBondContact O-N 3.21Å
818	S	94.8	Very high	94.3	Very high	38 Å²	38	18.9 Å²	18.9	27%	0.266	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.9	173.8	54.3	0	0	0	0	114.3	A791 G820 S855	A791-S818 PolarHBondContact N-OG 3.37Å; A791-S818 WeakPolarHBondContact O-CB 3.47Å; A791-S818 PolarHBondContact O-N 2.97Å; A791-S818 PolarHBondContact O-OG 2.89Å; A791-S818 VanDerWaalsContact O-OG 3.04Å; S818-G820 VanDerWaalsContact C-N 3.28Å; S818-S855 WeakPolarHBondContact CA-OG 3.25Å; S818-S855 WeakPolarHBondContact O-CA 3.39Å; S818-S855 PolarHBondContact O-N 2.78Å
819	L	93	Very high	94.5	Very high	53 Å²	53	18.9 Å²	18.9	28%	0.277	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.4	174.5	-61.7	-173.6	0	0	0	113.7	Y677 E790 T817 R851	Y677-L819 HydrophobicContact CE2-CD1 4.3Å; Y677-L819 WeakPolarHBondContact OH-CD1 3.34Å; E790-L819 HydrophobicContact CB-CD1 3.84Å; E790-L819 HydrophobicContact CB-CG 4.01Å; E790-L819 HydrophobicContact CG-CB 4.46Å; E790-L819 HydrophobicContact CG-CD1 3.93Å; E790-L819 HydrophobicContact CG-CG 3.82Å; T817-L819 PolarHBondContact O-N 2.98Å; T817-L819 PolarHBondContact OG1-N 2.91Å; L819-R851 PolarHBondContact O-NE 2.74Å
820	G	94.4	Very high	94.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	82	17.1	176.8	0	0	0	0	0	113.9	T817 S818 R851 L852 G854 I856	T817-G820 PolarHBondContact O-N 2.85Å; S818-G820 VanDerWaalsContact C-N 3.28Å; G820-R851 CarbonylContact O-C 3.55Å; G820-R851 VanDerWaalsContact O-CA 3.3Å; G820-R851 WeakPolarHBondContact O-CA 3.3Å; G820-L852 PolarHBondContact O-N 2.77Å; G820-G854 WeakPolarHBondContact CA-O 3.22Å; G820-G854 PolarHBondContact N-O 2.98Å; G820-I856 WeakPolarHBondContact O-CD1 3.35Å
821	T	95.2	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.5	177.7	-54	0	0	0	0	110.2	Y671 G816 T817 L823 M848 I856	Y671-T821 HydrophobicContact CE1-CG2 3.77Å; Y671-T821 WeakPolarHBondContact OH-CB 3.34Å; Y671-T821 PolarHBondContact OH-OG1 3.27Å; G816-T821 CarbonylContact C-O 3.47Å; G816-T821 WeakPolarHBondContact CA-O 3.43Å; T817-T821 PolarHBondContact N-O 2.93Å; T817-T821 WeakPolarHBondContact OG1-CB 3.11Å; T817-T821 PolarHBondContact OG1-N 3.22Å; T821-L823 HydrophobicContact CG2-CD2 3.62Å; T821-L823 HydrophobicContact CG2-CG 3.87Å; T821-M848 HydrophobicContact CG2-CG 3.84Å; T821-M848 HydrophobicContact CG2-SD 3.91Å; T821-I856 WeakPolarHBondContact O-CG1 3.04Å
822	V	96.8	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.6	165.1	-179.7	0	0	0	0	109.3	Y814 V815 M848 L849 V850 I856 M859 V915	Y814-V822 HydrophobicContact CD1-CG1 3.84Å; V815-V822 CarbonylContact O-C 3.57Å; V815-V822 WeakPolarHBondContact O-CA 3.35Å; V822-M848 WeakPolarHBondContact O-CA 3.34Å; V822-L849 HydrophobicContact CB-CB 4.35Å; V822-L849 HydrophobicContact CG1-CB 4.14Å; V822-L849 HydrophobicContact CG1-CD2 4.15Å; V822-L849 PolarHBondContact O-N 3.2Å; V822-V850 HydrophobicContact CB-CG1 4.01Å; V822-V850 HydrophobicContact CG2-CG1 3.94Å; V822-V850 PolarHBondContact N-O 3.31Å; V822-I856 HydrophobicContact CG2-CD1 3.94Å; V822-I856 HydrophobicContact CG2-CG1 3.88Å; V822-I856 HydrophobicContact CG2-CG2 4.25Å; V822-M859 HydrophobicContact CG1-SD 3.78Å; V822-M859 HydrophobicContact CG2-SD 4.2Å; V822-V915 HydrophobicContact CG2-CG1 3.68Å; V822-V915 HydrophobicContact CG2-CG2 4.44Å
823	L	94.8	Very high	92.5	Very high	5 Å²	5	24 Å²	24	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	153.2	177.4	-57.3	174.5	0	0	0	110.3	L670 Y671 Y814 V815 T821 G847 M848	L670-L823 HydrophobicContact CB-CD1 3.53Å; L670-L823 HydrophobicContact CD1-CD1 4.39Å; Y671-L823 HydrophobicContact CD1-CD2 4.25Å; Y671-L823 HydrophobicContact CE1-CD2 4.24Å; Y814-L823 WeakPolarHBondContact CA-O 3.35Å; V815-L823 HydrophobicContact CB-CB 4.34Å; V815-L823 PolarHBondContact N-O 3.03Å; V815-L823 PolarHBondContact O-N 3.25Å; T821-L823 HydrophobicContact CG2-CD2 3.62Å; T821-L823 HydrophobicContact CG2-CG 3.87Å; L823-G847 WeakPolarHBondContact CA-O 3.42Å; L823-M848 HydrophobicContact CD2-CB 3.93Å; L823-M848 HydrophobicContact CD2-CG 4.47Å
824	V	94.8	Very high	91.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.2	-175.9	-170.8	0	0	0	0	110.6	C812 Y814 T846 G847 L849	C812-V824 HydrophobicContact CB-CG1 4.37Å; Y814-V824 HydrophobicContact CD1-CB 4.48Å; Y814-V824 HydrophobicContact CD1-CG1 4.46Å; Y814-V824 HydrophobicContact CD1-CG2 3.61Å; Y814-V824 HydrophobicContact CE1-CB 4.24Å; Y814-V824 HydrophobicContact CE1-CG1 4.01Å; Y814-V824 HydrophobicContact CE1-CG2 3.28Å; Y814-V824 HydrophobicContact CE2-CG1 4.17Å; V824-T846 VanDerWaalsContact CB-OG1 3.25Å; V824-T846 WeakPolarHBondContact CB-OG1 3.5Å; V824-T846 WeakPolarHBondContact CG1-OG1 3.31Å; V824-T846 PolarHBondContact O-N 3.32Å; V824-T846 PolarHBondContact O-OG1 3.03Å; V824-G847 PolarHBondContact N-O 3.43Å; V824-L849 HydrophobicContact CG2-CB 3.93Å
825	L	94.6	Very high	90.7	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.8	173.6	-54.4	179.8	0	0	0	108.8	L663 C812 L813 V815 I843 P845	L663-L825 HydrophobicContact CD2-CD1 3.81Å; C812-L825 CarbonylContact C-O 3.58Å; C812-L825 WeakPolarHBondContact CA-O 3.31Å; L813-L825 HydrophobicContact CB-CB 4.26Å; L813-L825 HydrophobicContact CD2-CD1 4.03Å; L813-L825 HydrophobicContact CG-CD1 4.42Å; L813-L825 PolarHBondContact N-O 2.94Å; L813-L825 PolarHBondContact O-N 3.46Å; V815-L825 HydrophobicContact CG2-CD1 4.1Å; V815-L825 HydrophobicContact CG2-CG 4.36Å; L825-I843 HydrophobicContact CB-CG2 3.87Å; L825-I843 HydrophobicContact CD1-CG2 4.24Å; L825-P845 HydrophobicContact CD2-CB 3.92Å; L825-P845 HydrophobicContact CD2-CG 4.04Å
826	A	94.5	Very high	90.2	Very high	15 Å²	15	37.5 Å²	37.5	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.9	174.3	0	0	0	0	0	110.1	A802 I843 S844 T846	A802-A826 HydrophobicContact CB-CB 3.96Å; A826-I843 WeakPolarHBondContact O-CA 3.32Å; A826-S844 PolarHBondContact N-O 3.13Å; A826-S844 PolarHBondContact O-N 3.3Å; A826-T846 HydrophobicContact CB-CG2 3.57Å
827	L	95	Very high	89.6	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.1	-177.5	-46.2	171.8	0	0	0	109.4	Y640 L642 F797 P811 L813 L829 I843	Y640-L827 HydrophobicContact CD2-CD1 4.02Å; Y640-L827 HydrophobicContact CE2-CD1 4.21Å; L642-L827 HydrophobicContact CD1-CD1 4Å; L642-L827 HydrophobicContact CD1-CD2 4.5Å; F797-L827 HydrophobicContact CD1-CD1 4Å; F797-L827 HydrophobicContact CE1-CD1 3.97Å; P811-L827 HydrophobicContact CB-CB 4.1Å; P811-L827 HydrophobicContact CB-CD1 4.45Å; P811-L827 WeakPolarHBondContact O-CA 3.22Å; P811-L827 WeakPolarHBondContact O-CB 3.37Å; P811-L827 PolarHBondContact O-N 3.02Å; L813-L827 HydrophobicContact CB-CD1 4.41Å; L813-L827 HydrophobicContact CB-CD2 4.4Å; L827-L829 HydrophobicContact CB-CD2 4.49Å; L827-I843 HydrophobicContact CD2-CB 4.26Å; L827-I843 HydrophobicContact CD2-CD1 3.91Å; L827-I843 HydrophobicContact CD2-CG1 3.7Å; L827-I843 HydrophobicContact CD2-CG2 3.87Å
828	T	93.8	Very high	89.1	Confident	85 Å²	85	49.6 Å²	49.6	52%	0.521	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	105	170.4	-53.6	0	0	0	0	108.3	I842	T828-I842 PolarHBondContact N-O 3.42Å; T828-I842 PolarHBondContact O-N 3.45Å
829	L	90.1	Very high	88.8	Confident	56 Å²	56	52.3 Å²	52.3	29%	0.293	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-85.7	131.8	-178.7	-57.3	177.4	0	0	0	110.5	Y640 P811 L827 I841	Y640-L829 HydrophobicContact CD1-CD1 3.41Å; Y640-L829 VanDerWaalsContact CD1-CD1 3.41Å; Y640-L829 HydrophobicContact CE1-CD1 3.76Å; Y640-L829 HydrophobicContact CG-CD1 3.94Å; Y640-L829 HydrophobicContact CG-CD2 4.4Å; P811-L829 HydrophobicContact CB-CD1 4.08Å; P811-L829 HydrophobicContact CB-CG 4.36Å; P811-L829 HydrophobicContact CG-CD1 3.9Å; P811-L829 HydrophobicContact CG-CG 4.3Å; L827-L829 HydrophobicContact CB-CD2 4.49Å; L829-I841 HydrophobicContact CD2-CD1 3.74Å; L829-I841 HydrophobicContact CD2-CG1 3.96Å; L829-I841 HydrophobicContact CD2-CG2 4.1Å
830	P	88.6	Confident	88.5	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.104	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62.3	156.4	169.4	-16.2	25.9	0	0	0	111.9	Q839 I841	P830-Q839 HydrophobicContact CB-CB 3.91Å; P830-Q839 HydrophobicContact CG-CB 3.9Å; P830-Q839 WeakPolarHBondContact CG-O 3.24Å; P830-I841 HydrophobicContact CG-CG1 4.46Å
831	P	83.6	Confident	88.5	Confident	72 Å²	72	53.5 Å²	53.5	47%	0.468	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-58.1	145.3	174.7	-24.7	36.2	0	0	0	112.6	Q835 R836	P831-Q835 HydrophobicContact CB-CB 4.48Å; P831-Q835 VanDerWaalsContact CG-OE1 3.23Å; P831-R836 PolarHBondContact O-N 2.81Å; P831-R836 VanDerWaalsContact O-N 3.08Å
832	A	77.7	Confident	88.4	Confident	94 Å²	94	58.3 Å²	58.3	78%	0.777	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	160.7	179.7	0	0	0	0	0	112.8
833	G	76.1	Confident	88.2	Confident	56 Å²	56	59.4 Å²	59.4	58%	0.577	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-146	-178.3	0	0	0	0	0	112.4	Q835 R836	G833-Q835 PolarHBondContact O-N 3.49Å; G833-R836 PolarHBondContact O-N 2.82Å
834	E	76.8	Confident	88	Confident	166 Å²	166	61.3 Å²	61.3	78%	0.776	35%	0.353	S	S	*	.	H	α-helix	trans	-61.5	-31.6	-176.6	-67.8	-179	177.2	0	0	112.7	R836 Q837 L838	E834-R836 VanDerWaalsContact C-N 3.32Å; E834-R836 PolarHBondContact O-N 2.88Å; E834-Q837 WeakPolarHBondContact O-CB 3.46Å; E834-Q837 PolarHBondContact O-N 3.33Å; E834-L838 WeakPolarHBondContact O-CG 3.28Å; E834-L838 PolarHBondContact O-N 3.04Å
835	Q	80.1	Confident	87.8	Confident	97 Å²	97	64.6 Å²	64.6	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-35.2	178.8	-68.3	-172.2	-8.9	0	0	112.7	P831 G833 Q837 L838 Q839	P831-Q835 HydrophobicContact CB-CB 4.48Å; P831-Q835 VanDerWaalsContact CG-OE1 3.23Å; G833-Q835 PolarHBondContact O-N 3.49Å; Q835-Q837 PolarHBondContact O-N 3.18Å; Q835-L838 PolarHBondContact O-N 3.45Å; Q835-L838 VanDerWaalsContact O-N 3.09Å; Q835-Q839 PolarHBondContact O-N 3.48Å
836	R	86.3	Confident	87.5	Confident	23 Å²	23	66.1 Å²	66.1	9%	0.087	38%	0.384	C	S	.	.	H	α-helix	trans	-63.3	-24	174.5	-179.9	59.7	-172.9	82.9	-0.4	112.9	Y640 D655 I657 Q658 P831 G833 E834 I841	Y640-R836 PolarHBondContact O-NH2 3.45Å; D655-R836 IonicContact OD1-CZ 3.88Å; D655-R836 IonicContact OD1-NH1 2.74Å; D655-R836 PolarHBondContact OD1-NH1 2.61Å; D655-R836 IonicContact OD1-NH2 3.04Å; D655-R836 PolarHBondContact OD1-NH2 2.72Å; D655-R836 IonicContact OD2-CZ 3.27Å; D655-R836 VanDerWaalsContact OD2-CZ 3.26Å; D655-R836 IonicContact OD2-NH1 3.89Å; D655-R836 PolarHBondContact OD2-NH1 2.96Å; D655-R836 IonicContact OD2-NH2 3.95Å; D655-R836 PolarHBondContact OD2-NH2 3.16Å; I657-R836 HydrophobicContact CD1-CG 4.42Å; Q658-R836 PolarHBondContact NE2-O 2.85Å; P831-R836 PolarHBondContact O-N 2.81Å; P831-R836 VanDerWaalsContact O-N 3.08Å; G833-R836 PolarHBondContact O-N 2.82Å; E834-R836 VanDerWaalsContact C-N 3.32Å; E834-R836 PolarHBondContact O-N 2.88Å; R836-I841 VanDerWaalsContact NH2-CD1 3.29Å
837	Q	84.4	Confident	87.1	Confident	112 Å²	112	66.5 Å²	66.5	52%	0.523	39%	0.388	S	S	.	.	H	α-helix	trans	-84.4	-21.8	175.8	-62.6	-69.6	-8.8	0	0	112.9	I657 E834 Q835	I657-Q837 VanDerWaalsContact CG2-NE2 3.27Å; E834-Q837 WeakPolarHBondContact O-CB 3.46Å; E834-Q837 PolarHBondContact O-N 3.33Å; Q835-Q837 PolarHBondContact O-N 3.18Å
838	L	85.8	Confident	86.9	Confident	142 Å²	142	71 Å²	71	74%	0.743	41%	0.41	S	S	*	.	H	α-helix	trans	-104.3	-28.7	-171.9	-65.2	173.6	0	0	0	113.9	E834 Q835	E834-L838 WeakPolarHBondContact O-CG 3.28Å; E834-L838 PolarHBondContact O-N 3.04Å; Q835-L838 PolarHBondContact O-N 3.45Å; Q835-L838 VanDerWaalsContact O-N 3.09Å
839	Q	88	Confident	86.9	Confident	95 Å²	95	67.7 Å²	67.7	44%	0.444	39%	0.39	S	S	.	.	S	Bend	trans	-108.4	130.3	-176.6	-67.4	-176.7	-3.1	0	0	111	Q658 P830 Q835	Q658-Q839 VanDerWaalsContact NE2-C 3.33Å; Q658-Q839 PolarHBondContact NE2-O 3.02Å; P830-Q839 HydrophobicContact CB-CB 3.91Å; P830-Q839 HydrophobicContact CG-CB 3.9Å; P830-Q839 WeakPolarHBondContact CG-O 3.24Å; Q835-Q839 PolarHBondContact O-N 3.48Å
840	P	88.3	Confident	87.1	Confident	71 Å²	71	65.8 Å²	65.8	46%	0.461	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-71.6	153.1	178	30.7	-35	0	0	0	111.2	M660	M660-P840 HydrophobicContact SD-CB 4.45Å
841	I	92.3	Very high	87.4	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.031	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-69.8	137.8	169.9	-68.3	167.5	0	0	0	109.1	L642 V662 L829 P830 R836 I843	L642-I841 HydrophobicContact CD1-CD1 4.1Å; L642-I841 HydrophobicContact CD2-CD1 3.49Å; L642-I841 VanDerWaalsContact CD2-CD1 3.49Å; L642-I841 HydrophobicContact CG-CD1 3.82Å; V662-I841 HydrophobicContact CG1-CB 4.25Å; V662-I841 WeakPolarHBondContact CG1-O 3.49Å; L829-I841 HydrophobicContact CD2-CD1 3.74Å; L829-I841 HydrophobicContact CD2-CG1 3.96Å; L829-I841 HydrophobicContact CD2-CG2 4.1Å; P830-I841 HydrophobicContact CG-CG1 4.46Å; R836-I841 VanDerWaalsContact NH2-CD1 3.29Å; I841-I843 HydrophobicContact CG2-CG1 4.1Å
842	I	93.2	Very high	87.9	Confident	102 Å²	102	66.7 Å²	66.7	52%	0.523	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.7	174.7	-57.5	171.3	0	0	0	108.3	T828	T828-I842 PolarHBondContact N-O 3.42Å; T828-I842 PolarHBondContact O-N 3.45Å
843	I	94.1	Very high	88.7	Confident	22 Å²	22	68.6 Å²	68.6	11%	0.113	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.6	178.1	-52.2	-174.4	0	0	0	108.8	V653 V662 L663 L825 A826 L827 I841	V653-I843 HydrophobicContact CB-CD1 3.81Å; V653-I843 HydrophobicContact CG1-CD1 3.64Å; V653-I843 HydrophobicContact CG2-CD1 4.01Å; V662-I843 HydrophobicContact CB-CD1 4.23Å; L663-I843 HydrophobicContact CB-CD1 4.05Å; L663-I843 HydrophobicContact CD2-CB 4.46Å; L663-I843 HydrophobicContact CD2-CG2 3.89Å; L825-I843 HydrophobicContact CB-CG2 3.87Å; L825-I843 HydrophobicContact CD1-CG2 4.24Å; A826-I843 WeakPolarHBondContact O-CA 3.32Å; L827-I843 HydrophobicContact CD2-CB 4.26Å; L827-I843 HydrophobicContact CD2-CD1 3.91Å; L827-I843 HydrophobicContact CD2-CG1 3.7Å; L827-I843 HydrophobicContact CD2-CG2 3.87Å; I841-I843 HydrophobicContact CG2-CG1 4.1Å
844	S	91	Very high	89.5	Confident	46 Å²	46	67.1 Å²	67.1	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.9	-177.9	-66.5	0	0	0	0	110.8	A826 T846	A826-S844 PolarHBondContact N-O 3.13Å; A826-S844 PolarHBondContact O-N 3.3Å; S844-T846 PolarHBondContact O-N 3.28Å
845	P	89.8	Confident	90.4	Very high	72 Å²	72	60.1 Å²	60.1	47%	0.468	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	131.1	171	-20.7	32.1	0	0	0	110.7	L825	L825-P845 HydrophobicContact CD2-CB 3.92Å; L825-P845 HydrophobicContact CD2-CG 4.04Å
846	T	87.9	Confident	91.2	Very high	35 Å²	35	55.5 Å²	55.5	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-18.9	-178.6	60.5	0	0	0	0	113.6	A802 R803 V824 A826 S844	A802-T846 HydrophobicContact CB-CG2 4.1Å; A802-T846 PolarHBondContact O-OG1 3.38Å; R803-T846 HydrophobicContact CG-CG2 4.08Å; V824-T846 VanDerWaalsContact CB-OG1 3.25Å; V824-T846 WeakPolarHBondContact CB-OG1 3.5Å; V824-T846 WeakPolarHBondContact CG1-OG1 3.31Å; V824-T846 PolarHBondContact O-N 3.32Å; V824-T846 PolarHBondContact O-OG1 3.03Å; A826-T846 HydrophobicContact CB-CG2 3.57Å; S844-T846 PolarHBondContact O-N 3.28Å
847	G	85.6	Confident	91.6	Very high	22 Å²	22	56.8 Å²	56.8	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-165.7	174	0	0	0	0	0	113.3	L823 V824	L823-G847 WeakPolarHBondContact CA-O 3.42Å; V824-G847 PolarHBondContact N-O 3.43Å
848	M	91.4	Very high	92.1	Very high	100 Å²	100	55.5 Å²	55.5	49%	0.493	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.7	-179.8	177.8	-178.4	62.2	0	0	111.1	T821 V822 L823 R851	T821-M848 HydrophobicContact CG2-CG 3.84Å; T821-M848 HydrophobicContact CG2-SD 3.91Å; V822-M848 WeakPolarHBondContact O-CA 3.34Å; L823-M848 HydrophobicContact CD2-CB 3.93Å; L823-M848 HydrophobicContact CD2-CG 4.47Å; M848-R851 HydrophobicContact SD-CB 4.25Å
849	L	93.1	Very high	92.7	Very high	16 Å²	16	49 Å²	49	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-55.2	170.6	177.4	71.6	0	0	0	111	Y814 V822 V824 A913 I924 L926 Q929	Y814-L849 HydrophobicContact CD1-CD2 4.39Å; Y814-L849 HydrophobicContact CE1-CD2 3.94Å; V822-L849 HydrophobicContact CB-CB 4.35Å; V822-L849 HydrophobicContact CG1-CB 4.14Å; V822-L849 HydrophobicContact CG1-CD2 4.15Å; V822-L849 PolarHBondContact O-N 3.2Å; V824-L849 HydrophobicContact CG2-CB 3.93Å; L849-A913 HydrophobicContact CD2-CB 4.29Å; L849-I924 HydrophobicContact CD1-CG2 4.24Å; L849-I924 HydrophobicContact CD2-CD1 4.45Å; L849-L926 HydrophobicContact CD1-CD2 3.88Å; L849-Q929 HydrophobicContact CD1-CB 4.21Å; L849-Q929 HydrophobicContact CD1-CG 3.71Å
850	V	94.8	Very high	93.1	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	152.5	-171.6	67.2	0	0	0	0	111.3	V822 L852 V915 K922 I924	V822-V850 HydrophobicContact CB-CG1 4.01Å; V822-V850 HydrophobicContact CG2-CG1 3.94Å; V822-V850 PolarHBondContact N-O 3.31Å; V850-L852 HydrophobicContact CB-CD1 4.26Å; V850-L852 HydrophobicContact CG1-CD1 3.53Å; V850-L852 HydrophobicContact CG2-CD1 3.82Å; V850-V915 HydrophobicContact CG1-CG2 4.25Å; V850-K922 HydrophobicContact CG2-CD 3.93Å; V850-I924 HydrophobicContact CB-CD1 4.3Å; V850-I924 HydrophobicContact CG1-CD1 3.88Å; V850-I924 HydrophobicContact CG2-CD1 4.43Å; V850-I924 HydrophobicContact CG2-CG1 4.5Å
851	R	94.4	Very high	93.4	Very high	99 Å²	99	41.3 Å²	41.3	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.6	167.7	-164.4	169.4	-176.4	164.3	2.9	111.9	Y677 L819 G820 M848 K922	Y677-R851 PolarHBondContact OH-NH2 3.18Å; Y677-R851 VanDerWaalsContact OH-NH2 3.1Å; L819-R851 PolarHBondContact O-NE 2.74Å; G820-R851 CarbonylContact O-C 3.55Å; G820-R851 VanDerWaalsContact O-CA 3.3Å; G820-R851 WeakPolarHBondContact O-CA 3.3Å; M848-R851 HydrophobicContact SD-CB 4.25Å; R851-K922 PolarHBondContact O-NZ 3.27Å
852	L	95.2	Very high	93.5	Very high	9 Å²	9	41 Å²	41	5%	0.047	22%	0.217	C	C	.	.			trans	-119.1	166.2	179.1	-75.2	78.6	0	0	0	111.1	G820 V850 I856 V915 Q920 K922	G820-L852 PolarHBondContact O-N 2.77Å; V850-L852 HydrophobicContact CB-CD1 4.26Å; V850-L852 HydrophobicContact CG1-CD1 3.53Å; V850-L852 HydrophobicContact CG2-CD1 3.82Å; L852-I856 HydrophobicContact CB-CD1 3.96Å; L852-I856 HydrophobicContact CD1-CD1 4.06Å; L852-I856 HydrophobicContact CD2-CD1 4.38Å; L852-I856 HydrophobicContact CG-CD1 4.35Å; L852-V915 HydrophobicContact CD1-CB 4.33Å; L852-V915 HydrophobicContact CD1-CG1 3.78Å; L852-V915 HydrophobicContact CD2-CB 4.29Å; L852-V915 HydrophobicContact CD2-CG1 3.88Å; L852-V915 WeakPolarHBondContact CD2-O 3.11Å; L852-Q920 HydrophobicContact CB-CG 4.29Å; L852-Q920 VanDerWaalsContact CB-NE2 3.25Å; L852-Q920 HydrophobicContact CD2-CG 4.14Å; L852-Q920 HydrophobicContact CG-CG 4.38Å; L852-K922 HydrophobicContact CD1-CD 4.03Å; L852-K922 HydrophobicContact CD2-CB 4.41Å; L852-K922 HydrophobicContact CD2-CD 4.37Å; L852-K922 HydrophobicContact CD2-CG 4.21Å; L852-K922 HydrophobicContact CG-CD 3.89Å; L852-K922 HydrophobicContact CG-CG 4.27Å
853	K	93.8	Very high	93.3	Very high	134 Å²	134	38.3 Å²	38.3	58%	0.583	20%	0.203	S	C	*	.	S	Bend	trans	-82.4	126.6	171.5	-68.5	-175.6	176.5	-176.5	0	109.3	S917 K919	K853-S917 WeakPolarHBondContact O-CB 3.27Å; K853-S917 PolarHBondContact O-OG 2.94Å; K853-K919 HydrophobicContact CB-CB 4.16Å; K853-K919 HydrophobicContact CB-CG 4.43Å; K853-K919 WeakPolarHBondContact O-CB 3.48Å
854	G	92.3	Very high	93	Very high	25 Å²	25	40.1 Å²	40.1	26%	0.258	22%	0.218	S	C	.	.	S	Bend	trans	79.7	170.9	-178.6	0	0	0	0	0	113.3	G820	G820-G854 WeakPolarHBondContact CA-O 3.22Å; G820-G854 PolarHBondContact N-O 2.98Å
855	S	95.7	Very high	92.8	Very high	18 Å²	18	41.1 Å²	41.1	13%	0.126	23%	0.229	C	C	.	.			trans	-58.9	139.9	-176.1	-176.9	0	0	0	0	112.2	S793 S818 M857 S917 E918	S793-S855 VanDerWaalsContact CB-OG 3.31Å; S793-S855 WeakPolarHBondContact CB-OG 3.46Å; S793-S855 PolarHBondContact OG-OG 3.07Å; S818-S855 WeakPolarHBondContact CA-OG 3.25Å; S818-S855 WeakPolarHBondContact O-CA 3.39Å; S818-S855 PolarHBondContact O-N 2.78Å; S855-M857 PolarHBondContact O-N 3.04Å; S855-S917 CarbonylContact O-C 3.59Å; S855-S917 WeakPolarHBondContact O-CA 3.22Å; S855-S917 VanDerWaalsContact O-CB 3.3Å; S855-S917 WeakPolarHBondContact O-CB 3.46Å; S855-E918 WeakPolarHBondContact CB-OE1 3.49Å; S855-E918 PolarHBondContact N-OE2 3.08Å; S855-E918 PolarHBondContact O-N 2.91Å
856	I	97.9	Very high	92.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.4	171.5	-57.4	-54.5	0	0	0	109	S793 S794 T817 G820 T821 V822 L852 M859 V915	S793-I856 WeakPolarHBondContact CB-O 3.37Å; S793-I856 PolarHBondContact OG-O 3Å; S794-I856 WeakPolarHBondContact OG-CG2 3.39Å; S794-I856 PolarHBondContact OG-O 2.95Å; T817-I856 PolarHBondContact O-N 3.21Å; G820-I856 WeakPolarHBondContact O-CD1 3.35Å; T821-I856 WeakPolarHBondContact O-CG1 3.04Å; V822-I856 HydrophobicContact CG2-CD1 3.94Å; V822-I856 HydrophobicContact CG2-CG1 3.88Å; V822-I856 HydrophobicContact CG2-CG2 4.25Å; L852-I856 HydrophobicContact CB-CD1 3.96Å; L852-I856 HydrophobicContact CD1-CD1 4.06Å; L852-I856 HydrophobicContact CD2-CD1 4.38Å; L852-I856 HydrophobicContact CG-CD1 4.35Å; I856-M859 HydrophobicContact CG2-CG 4.14Å; I856-M859 HydrophobicContact CG2-SD 4.37Å; I856-V915 HydrophobicContact CD1-CG1 3.94Å; I856-V915 HydrophobicContact CG2-CG1 4.23Å
857	M	94.5	Very high	92.7	Very high	50 Å²	50	39.4 Å²	39.4	25%	0.246	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-43	-177	-53.9	-165.3	77.9	0	0	112.3	S855 C916 E918 I943 L944 A946	S855-M857 PolarHBondContact O-N 3.04Å; M857-C916 PolarHBondContact N-O 2.9Å; M857-E918 HydrophobicContact CG-CG 4.11Å; M857-E918 HydrophobicContact SD-CG 3.9Å; M857-I943 WeakPolarHBondContact CE-O 3.38Å; M857-I943 HydrophobicContact SD-CB 3.83Å; M857-I943 HydrophobicContact SD-CG2 3.88Å; M857-L944 WeakPolarHBondContact CE-O 3.3Å; M857-A946 HydrophobicContact CB-CB 4.46Å
858	R	96.1	Very high	93	Very high	84 Å²	84	41.1 Å²	41.1	32%	0.317	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142	-173.6	-163.2	64.7	140.1	106.5	-5.5	111.9	C916 A946 D947	R858-C916 HydrophobicContact CB-CB 4.3Å; R858-C916 PolarHBondContact N-O 2.54Å; R858-C916 PolarHBondContact O-N 3.13Å; R858-A946 HydrophobicContact CB-CB 4.36Å; R858-A946 WeakPolarHBondContact CB-O 3.45Å; R858-D947 IonicContact CZ-OD1 3.77Å; R858-D947 VanDerWaalsContact CZ-OD1 3.22Å; R858-D947 IonicContact NE-OD1 3.8Å; R858-D947 PolarHBondContact NE-OD1 2.62Å; R858-D947 IonicContact NH2-OD1 3.05Å; R858-D947 PolarHBondContact NH2-OD1 3.03Å
859	M	96.9	Very high	92.9	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.4	172.2	-62.8	171.3	-73.7	0	0	108.8	H796 V822 I856 V914 V915	H796-M859 HydrophobicContact CB-CB 4.04Å; H796-M859 HydrophobicContact CB-CE 4.02Å; H796-M859 PolarHBondContact ND1-O 2.97Å; H796-M859 VanDerWaalsContact ND1-O 3.13Å; V822-M859 HydrophobicContact CG1-SD 3.78Å; V822-M859 HydrophobicContact CG2-SD 4.2Å; I856-M859 HydrophobicContact CG2-CG 4.14Å; I856-M859 HydrophobicContact CG2-SD 4.37Å; M859-V914 WeakPolarHBondContact CA-O 3.49Å; M859-V915 HydrophobicContact CG-CG1 4.4Å
860	A	96.3	Very high	92.3	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.2	173.2	0	0	0	0	0	109.6	L868 V914 V948	A860-L868 HydrophobicContact CB-CD1 3.86Å; A860-V914 PolarHBondContact N-O 3.46Å; A860-V914 PolarHBondContact O-N 3.19Å; A860-V948 HydrophobicContact CB-CB 3.59Å; A860-V948 HydrophobicContact CB-CG1 3.76Å; A860-V948 HydrophobicContact CB-CG2 3.66Å
861	F	95.6	Very high	91.7	Very high	3 Å²	3	42 Å²	42	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.6	-177.6	-64.6	-99.9	0	0	0	109.6	H796 C798 T800 Y814 L869 F912 A913 L926	H796-F861 AromaticContact CD2-CD2 3.45Å; H796-F861 VanDerWaalsContact CD2-CD2 3.45Å; H796-F861 WeakPolarHBondContact CD2-CD2 3.26Å; H796-F861 AromaticContact CD2-CE2 3.38Å; H796-F861 WeakPolarHBondContact CD2-CE2 3.44Å; H796-F861 AromaticContact NE2-CD2 3.5Å; H796-F861 AromaticContact NE2-CE2 3.94Å; C798-F861 HydrophobicContact CB-CD2 3.96Å; C798-F861 HydrophobicContact CB-CE2 4.29Å; C798-F861 HydrophobicContact CB-CG 4.36Å; T800-F861 HydrophobicContact CG2-CD1 4.24Å; T800-F861 HydrophobicContact CG2-CE1 4.06Å; Y814-F861 AromaticContact CD1-CZ 3.75Å; Y814-F861 HydrophobicContact CD1-CZ 3.75Å; Y814-F861 HydrophobicContact CD2-CE1 4.32Å; Y814-F861 HydrophobicContact CD2-CE2 4.01Å; Y814-F861 AromaticContact CD2-CZ 3.49Å; Y814-F861 HydrophobicContact CD2-CZ 3.49Å; Y814-F861 VanDerWaalsContact CD2-CZ 3.49Å; Y814-F861 AromaticContact CE1-CE1 3.97Å; Y814-F861 HydrophobicContact CE1-CE1 3.97Å; Y814-F861 AromaticContact CE1-CZ 3.67Å; Y814-F861 HydrophobicContact CE1-CZ 3.67Å; Y814-F861 AromaticContact CE2-CE1 3.77Å; Y814-F861 HydrophobicContact CE2-CE1 3.77Å; Y814-F861 HydrophobicContact CE2-CE2 4.24Å; Y814-F861 AromaticContact CE2-CZ 3.41Å; Y814-F861 HydrophobicContact CE2-CZ 3.41Å; Y814-F861 VanDerWaalsContact CE2-CZ 3.41Å; Y814-F861 HydrophobicContact CG-CE2 4.27Å; Y814-F861 AromaticContact CG-CZ 3.66Å; Y814-F861 HydrophobicContact CG-CZ 3.66Å; Y814-F861 AromaticContact CZ-CE1 3.57Å; Y814-F861 AromaticContact CZ-CZ 3.5Å; Y814-F861 VanDerWaalsContact CZ-CZ 3.5Å; F861-L869 HydrophobicContact CB-CB 4.26Å; F861-L869 HydrophobicContact CB-CD1 3.97Å; F861-L869 WeakPolarHBondContact O-CB 3.37Å; F861-L869 PolarHBondContact O-N 2.62Å; F861-F912 CarbonylContact C-O 3.57Å; F861-F912 VanDerWaalsContact CA-O 3.31Å; F861-F912 WeakPolarHBondContact CA-O 3.1Å; F861-A913 HydrophobicContact CD1-CB 3.86Å; F861-A913 HydrophobicContact CE1-CB 3.58Å; F861-A913 HydrophobicContact CZ-CB 4.25Å; F861-L926 HydrophobicContact CD1-CD1 3.94Å; F861-L926 HydrophobicContact CE1-CD1 3.88Å
862	L	93.6	Very high	91.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.1	177.2	-51.5	-176.4	0	0	0	110.8	S867 L868 Q911 F912 V914 V955 V971	L862-S867 CarbonylContact C-O 3.51Å; L862-S867 WeakPolarHBondContact CA-O 3.48Å; L862-L868 HydrophobicContact CD2-CB 4.39Å; L862-L868 HydrophobicContact CD2-CD1 4.06Å; L862-Q911 WeakPolarHBondContact O-CA 3.42Å; L862-Q911 WeakPolarHBondContact O-CB 3.31Å; L862-F912 HydrophobicContact CB-CB 4.29Å; L862-F912 PolarHBondContact N-O 3.48Å; L862-F912 PolarHBondContact O-N 3.49Å; L862-V914 HydrophobicContact CD1-CG2 4.3Å; L862-V914 HydrophobicContact CG-CG2 4.25Å; L862-V955 HydrophobicContact CD2-CB 4.46Å; L862-V955 HydrophobicContact CD2-CG1 4.22Å; L862-V955 HydrophobicContact CD2-CG2 4.38Å; L862-V971 HydrophobicContact CD1-CB 4.33Å; L862-V971 HydrophobicContact CD1-CG1 3.29Å; L862-V971 HydrophobicContact CG-CG1 4.41Å
863	D	89.9	Confident	91	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.241	24%	0.24	C	C	.	.			trans	-73.3	-179.8	167.5	68.9	14.6	0	0	0	111.8	A865 G866 S867 L869	D863-A865 PolarHBondContact O-N 3.11Å; D863-A865 VanDerWaalsContact OD1-C 3.3Å; D863-A865 VanDerWaalsContact OD1-CA 3.3Å; D863-A865 WeakPolarHBondContact OD1-CA 3.47Å; D863-A865 WeakPolarHBondContact OD1-CB 3.49Å; D863-A865 PolarHBondContact OD1-N 2.51Å; D863-G866 PolarHBondContact O-N 3.15Å; D863-G866 VanDerWaalsContact O-N 3.14Å; D863-G866 PolarHBondContact OD1-N 2.92Å; D863-S867 PolarHBondContact N-O 2.87Å; D863-S867 PolarHBondContact OD1-N 3.26Å; D863-S867 WeakPolarHBondContact OD2-CB 3.46Å; D863-L869 HydrophobicContact CB-CD2 3.97Å; D863-L869 HydrophobicContact CB-CG 4.36Å
864	S	87	Confident	90.7	Very high	61 Å²	61	37.7 Å²	37.7	43%	0.427	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.7	177.6	56.3	0	0	0	0	113.6	I37 S910	I37-S864 WeakPolarHBondContact CG1-O 3.11Å; S864-S910 VanDerWaalsContact CA-O 3.28Å; S864-S910 WeakPolarHBondContact CA-O 3.4Å; S864-S910 VanDerWaalsContact CB-O 3.3Å; S864-S910 WeakPolarHBondContact CB-O 3.48Å; S864-S910 PolarHBondContact N-O 2.87Å
865	A	87.1	Confident	90.4	Very high	67 Å²	67	40.3 Å²	40.3	55%	0.554	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.8	176	0	0	0	0	0	112.9	I37 D863	I37-A865 WeakPolarHBondContact CG2-O 3.46Å; D863-A865 PolarHBondContact O-N 3.11Å; D863-A865 VanDerWaalsContact OD1-C 3.3Å; D863-A865 VanDerWaalsContact OD1-CA 3.3Å; D863-A865 WeakPolarHBondContact OD1-CA 3.47Å; D863-A865 WeakPolarHBondContact OD1-CB 3.49Å; D863-A865 PolarHBondContact OD1-N 2.51Å
866	G	87.1	Confident	90.3	Very high	12 Å²	12	41.9 Å²	41.9	12%	0.124	24%	0.244	C	C	.	.	S	Bend	trans	85.4	10.9	-177.4	0	0	0	0	0	114.7	D863	D863-G866 PolarHBondContact O-N 3.15Å; D863-G866 VanDerWaalsContact O-N 3.14Å; D863-G866 PolarHBondContact OD1-N 2.92Å
867	S	89.2	Confident	89.8	Confident	59 Å²	59	44.7 Å²	44.7	41%	0.413	26%	0.255	S	S	.	.			trans	-79	146	173.9	-47.6	0	0	0	0	110.2	L862 D863 L869	L862-S867 CarbonylContact C-O 3.51Å; L862-S867 WeakPolarHBondContact CA-O 3.48Å; D863-S867 PolarHBondContact N-O 2.87Å; D863-S867 PolarHBondContact OD1-N 3.26Å; D863-S867 WeakPolarHBondContact OD2-CB 3.46Å; S867-L869 PolarHBondContact O-N 2.88Å
868	L	90.6	Very high	89.6	Confident	57 Å²	57	43.2 Å²	43.2	30%	0.298	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-65.9	125.8	175.9	-172	69.6	0	0	0	110	A860 L862 P870 V948 V955	A860-L868 HydrophobicContact CB-CD1 3.86Å; L862-L868 HydrophobicContact CD2-CB 4.39Å; L862-L868 HydrophobicContact CD2-CD1 4.06Å; L868-P870 VanDerWaalsContact O-CD 3.25Å; L868-P870 WeakPolarHBondContact O-CD 3.47Å; L868-V948 HydrophobicContact CD1-CG1 4.21Å; L868-V955 HydrophobicContact CB-CG2 4.03Å
869	L	89.7	Confident	89.1	Confident	37 Å²	37	40.9 Å²	40.9	19%	0.194	24%	0.243	C	C	.	.			trans	-76.1	112.2	171.1	-70.6	171.7	0	0	0	108.6	F861 D863 S867 Q911	F861-L869 HydrophobicContact CB-CB 4.26Å; F861-L869 HydrophobicContact CB-CD1 3.97Å; F861-L869 WeakPolarHBondContact O-CB 3.37Å; F861-L869 PolarHBondContact O-N 2.62Å; D863-L869 HydrophobicContact CB-CD2 3.97Å; D863-L869 HydrophobicContact CB-CG 4.36Å; S867-L869 PolarHBondContact O-N 2.88Å; L869-Q911 HydrophobicContact CD1-CG 4.18Å
870	P	80.7	Confident	88.5	Confident	70 Å²	70	43.5 Å²	43.5	46%	0.455	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-68.9	148.7	177.3	29.9	-33.8	0	0	0	110.1	L868 A872 V899	L868-P870 VanDerWaalsContact O-CD 3.25Å; L868-P870 WeakPolarHBondContact O-CD 3.47Å; P870-A872 PolarHBondContact O-N 2.82Å; P870-V899 HydrophobicContact CG-CG2 4Å
871	S	82.3	Confident	87.8	Confident	45 Å²	45	45.1 Å²	45.1	32%	0.315	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-61.7	137.6	167	175.8	0	0	0	0	109	N637 F873	N637-S871 PolarHBondContact ND2-OG 3Å; S871-F873 WeakPolarHBondContact O-CD1 3.5Å; S871-F873 PolarHBondContact O-N 2.85Å
872	A	86.6	Confident	86.6	Confident	29 Å²	29	50 Å²	50	24%	0.24	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56	137.6	172.4	0	0	0	0	0	110.4	N637 Y640 P870	N637-A872 PolarHBondContact ND2-O 2.87Å; N637-A872 PolarHBondContact OD1-O 3.04Å; Y640-A872 HydrophobicContact CE1-CB 3.81Å; P870-A872 PolarHBondContact O-N 2.82Å
873	F	88.4	Confident	85	Confident	44 Å²	44	53.7 Å²	53.7	19%	0.193	33%	0.327	C	S	.	.			trans	-139.1	157.6	179	59.9	-100.3	0	0	0	111.7	E512 S638 S871	E512-F873 HydrophobicContact CB-CB 4.3Å; E512-F873 HydrophobicContact CB-CD1 4.31Å; E512-F873 HydrophobicContact CB-CD2 3.37Å; E512-F873 HydrophobicContact CB-CE2 3.67Å; E512-F873 HydrophobicContact CB-CG 3.74Å; E512-F873 HydrophobicContact CB-CZ 4.26Å; E512-F873 HydrophobicContact CG-CD1 4.01Å; E512-F873 HydrophobicContact CG-CD2 3.83Å; E512-F873 HydrophobicContact CG-CE1 3.95Å; E512-F873 HydrophobicContact CG-CE2 3.77Å; E512-F873 HydrophobicContact CG-CG 3.97Å; E512-F873 HydrophobicContact CG-CZ 3.83Å; S638-F873 VanDerWaalsContact OG-CA 3.24Å; S638-F873 WeakPolarHBondContact OG-CA 3.39Å; S638-F873 WeakPolarHBondContact OG-CB 3.33Å; S871-F873 WeakPolarHBondContact O-CD1 3.5Å; S871-F873 PolarHBondContact O-N 2.85Å
874	E	86.4	Confident	83.4	Confident	77 Å²	77	58.8 Å²	58.8	36%	0.36	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-92.6	138.5	165.9	-169.7	179.4	-168.8	0	0	109.6	S513 S638 Y877	S513-E874 WeakPolarHBondContact CA-O 3.37Å; S513-E874 WeakPolarHBondContact CB-O 3.49Å; S513-E874 PolarHBondContact N-O 3.32Å; S638-E874 PolarHBondContact OG-N 3.42Å; S638-E874 VanDerWaalsContact OG-N 3.1Å; E874-Y877 WeakPolarHBondContact OE1-CE1 3.18Å
875	T	87.9	Confident	82.1	Confident	81 Å²	81	56.8 Å²	56.8	50%	0.497	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-71.9	135	172.2	-49.9	0	0	0	0	109.9	Y877	T875-Y877 PolarHBondContact O-N 3.02Å
876	W	91.7	Very high	80.8	Confident	51 Å²	51	57.2 Å²	57.2	19%	0.193	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-55.8	137.8	178.7	179.2	80.3	0	0	0	112.6	E512 R514 F530 K532 E878	E512-W876 WeakPolarHBondContact O-CB 3.41Å; E512-W876 PolarHBondContact O-N 2.96Å; R514-W876 HydrophobicContact CB-CG 4.26Å; R514-W876 HydrophobicContact CG-CB 4.02Å; R514-W876 HydrophobicContact CG-CG 3.9Å; F530-W876 AromaticContact CD1-CE2 3.96Å; F530-W876 AromaticContact CD1-CZ2 3.99Å; F530-W876 HydrophobicContact CD1-CZ2 3.99Å; F530-W876 AromaticContact CD1-NE1 3.77Å; F530-W876 HydrophobicContact CE1-CZ2 4.39Å; F530-W876 PolarHBondContact O-NE1 3.12Å; K532-W876 HydrophobicContact CD-CH2 4.23Å; K532-W876 HydrophobicContact CG-CH2 4.4Å; W876-E878 HydrophobicContact CH2-CB 4.09Å; W876-E878 HydrophobicContact CZ2-CB 4.29Å
877	Y	87.8	Confident	79.3	Confident	59 Å²	59	63.7 Å²	63.7	23%	0.231	36%	0.361	C	S	.	.			trans	-133.2	161.8	170.6	66.8	-87.3	0	0	0	109	E874 T875 P879	E874-Y877 WeakPolarHBondContact OE1-CE1 3.18Å; T875-Y877 PolarHBondContact O-N 3.02Å; Y877-P879 HydrophobicContact CE2-CB 4.41Å; Y877-P879 VanDerWaalsContact O-CD 3.26Å; Y877-P879 WeakPolarHBondContact O-CD 3.43Å
878	E	91.1	Very high	77.7	Confident	19 Å²	19	71.1 Å²	71.1	9%	0.089	38%	0.38	C	S	.	.			trans	-79	115.3	178.3	-179.7	66.5	-117.5	0	0	109	S531 K532 L533 W876 N880 V881 E889	S531-E878 WeakPolarHBondContact CA-OE1 3.37Å; S531-E878 PolarHBondContact OG-OE1 2.88Å; K532-E878 WeakPolarHBondContact CB-OE2 3.22Å; K532-E878 WeakPolarHBondContact CG-OE2 3.46Å; K532-E878 PolarHBondContact N-OE1 3.1Å; K532-E878 PolarHBondContact N-OE2 3.24Å; L533-E878 HydrophobicContact CD1-CG 4.18Å; L533-E878 HydrophobicContact CG-CG 4.49Å; W876-E878 HydrophobicContact CH2-CB 4.09Å; W876-E878 HydrophobicContact CZ2-CB 4.29Å; E878-N880 VanDerWaalsContact C-N 3.31Å; E878-N880 PolarHBondContact O-N 2.76Å; E878-V881 HydrophobicContact CB-CG2 3.48Å; E878-V881 VanDerWaalsContact CB-CG2 3.48Å; E878-V881 HydrophobicContact CG-CG2 3.51Å; E878-V881 VanDerWaalsContact O-CG2 3.29Å; E878-V881 WeakPolarHBondContact O-CG2 3.11Å; E878-E889 PolarHBondContact N-OE1 2.65Å
879	P	85.4	Confident	76.2	Confident	36 Å²	36	69.9 Å²	69.9	23%	0.234	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-25	-173	27	-35.5	0	0	0	113.9	R529 Y877	R529-P879 HydrophobicContact CG-CG 4.24Å; Y877-P879 HydrophobicContact CE2-CB 4.41Å; Y877-P879 VanDerWaalsContact O-CD 3.26Å; Y877-P879 WeakPolarHBondContact O-CD 3.43Å
880	N	83.2	Confident	74.6	Confident	59 Å²	59	72.9 Å²	72.9	32%	0.316	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	27.4	-167.4	-63.8	-46.8	0	0	0	113.6	S531 L533 Q613 E878	S531-N880 WeakPolarHBondContact CB-ND2 3.22Å; S531-N880 PolarHBondContact OG-ND2 2.89Å; L533-N880 HydrophobicContact CB-CB 4.13Å; L533-N880 HydrophobicContact CD1-CB 4.01Å; L533-N880 WeakPolarHBondContact CD1-O 3.27Å; Q613-N880 PolarHBondContact OE1-ND2 2.8Å; Q613-N880 VanDerWaalsContact OE1-ND2 3.11Å; E878-N880 VanDerWaalsContact C-N 3.31Å; E878-N880 PolarHBondContact O-N 2.76Å
881	V	81.5	Confident	73.2	Confident	36 Å²	36	75.9 Å²	75.9	22%	0.218	40%	0.395	C	S	.	.			trans	-64.9	145.7	-176.7	-177.5	0	0	0	0	111.8	E878 G885	E878-V881 HydrophobicContact CB-CG2 3.48Å; E878-V881 VanDerWaalsContact CB-CG2 3.48Å; E878-V881 HydrophobicContact CG-CG2 3.51Å; E878-V881 VanDerWaalsContact O-CG2 3.29Å; E878-V881 WeakPolarHBondContact O-CG2 3.11Å; V881-G885 VanDerWaalsContact CG1-CA 3.45Å
882	T	70.8	Confident	71.8	Confident	106 Å²	106	84.1 Å²	84.1	65%	0.65	42%	0.42	S	S	*	.			trans	-69.5	158.1	174.9	54.6	0	0	0	0	112	D884 G885 E886	T882-D884 PolarHBondContact O-N 2.83Å; T882-G885 WeakPolarHBondContact O-CA 3.39Å; T882-G885 PolarHBondContact O-N 3.39Å; T882-E886 PolarHBondContact O-N 2.93Å
883	A	59.8	Low	70.3	Confident	77 Å²	77	88 Å²	88	64%	0.636	43%	0.428	S	S	*	.	H	α-helix	trans	-49.6	-37.2	-175.5	0	0	0	0	0	114.8	G885 E886	A883-G885 VanDerWaalsContact C-N 3.34Å; A883-G885 PolarHBondContact O-N 2.89Å; A883-E886 PolarHBondContact O-N 2.93Å
884	D	57.2	Low	68.3	Low	152 Å²	152	96.1 Å²	96.1	81%	0.813	46%	0.457	S	S	*	.	H	α-helix	trans	-70.9	-25.4	177.3	-70.4	-21.7	0	0	0	113.9	T882	T882-D884 PolarHBondContact O-N 2.83Å
885	G	60.4	Low	66.5	Low	19 Å²	19	102.7 Å²	102.7	20%	0.196	48%	0.479	C	S	.	.	H	α-helix	trans	-86	-19	176	0	0	0	0	0	113.5	V881 T882 A883 E887 R888 E889	V881-G885 VanDerWaalsContact CG1-CA 3.45Å; T882-G885 WeakPolarHBondContact O-CA 3.39Å; T882-G885 PolarHBondContact O-N 3.39Å; A883-G885 VanDerWaalsContact C-N 3.34Å; A883-G885 PolarHBondContact O-N 2.89Å; G885-E887 VanDerWaalsContact C-N 3.32Å; G885-E887 PolarHBondContact O-N 2.8Å; G885-R888 PolarHBondContact O-N 3.15Å; G885-E889 PolarHBondContact O-N 3.47Å
886	E	58.3	Low	64.6	Low	76 Å²	76	103.4 Å²	103.4	36%	0.355	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-36.8	178.3	-72.8	-164	168.7	0	0	112.8	T882 A883 E889 K890	T882-E886 PolarHBondContact O-N 2.93Å; A883-E886 PolarHBondContact O-N 2.93Å; E886-E889 PolarHBondContact O-N 2.75Å; E886-K890 VanDerWaalsContact O-CB 3.31Å; E886-K890 WeakPolarHBondContact O-CB 3.27Å; E886-K890 WeakPolarHBondContact O-CG 3.34Å; E886-K890 PolarHBondContact O-N 3.04Å; E886-K890 IonicContact OE2-NZ 2.85Å; E886-K890 PolarHBondContact OE2-NZ 3.34Å
887	E	55.8	Low	62.3	Low	149 Å²	149	104.6 Å²	104.6	70%	0.696	50%	0.498	S	S	*	.	H	α-helix	trans	-66.7	-37.4	-180	-72.8	-143.1	147.7	0	0	112.5	G885	G885-E887 VanDerWaalsContact C-N 3.32Å; G885-E887 PolarHBondContact O-N 2.8Å
888	R	57.2	Low	60.2	Low	215 Å²	215	105.4 Å²	105.4	81%	0.811	51%	0.512	S	S	*	.	H	α-helix	trans	-69.5	-37	175.6	-84.2	-177	172.2	-177.4	-1.1	112.2	G885	G885-R888 PolarHBondContact O-N 3.15Å
889	E	58.7	Low	57.8	Low	30 Å²	30	109.9 Å²	109.9	14%	0.14	54%	0.54	C	S	.	.	H	α-helix	trans	-75.2	-35.9	175.6	-83	-155.4	160	0	0	113.3	E878 G885 E886 I891 R892 R893	E878-E889 PolarHBondContact N-OE1 2.65Å; G885-E889 PolarHBondContact O-N 3.47Å; E886-E889 PolarHBondContact O-N 2.75Å; E889-I891 PolarHBondContact O-N 2.91Å; E889-I891 VanDerWaalsContact O-N 3.15Å; E889-R892 CarbonylContact O-C 3.57Å; E889-R892 WeakPolarHBondContact O-CA 3.3Å; E889-R892 WeakPolarHBondContact O-CB 3.43Å; E889-R892 PolarHBondContact O-N 3.35Å; E889-R893 WeakPolarHBondContact O-CG 3.36Å; E889-R893 PolarHBondContact O-N 2.65Å; E889-R893 IonicContact OE2-CZ 2.83Å; E889-R893 IonicContact OE2-NE 3.13Å; E889-R893 IonicContact OE2-NH2 3.96Å; E889-R893 PolarHBondContact OE2-NH2 2.94Å
890	K	55.3	Low	55.5	Low	101 Å²	101	110.7 Å²	110.7	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-56.3	-30.8	176.5	-81.7	167.3	-173	161.2	0	112.5	E886	E886-K890 VanDerWaalsContact O-CB 3.31Å; E886-K890 WeakPolarHBondContact O-CB 3.27Å; E886-K890 WeakPolarHBondContact O-CG 3.34Å; E886-K890 PolarHBondContact O-N 3.04Å; E886-K890 IonicContact OE2-NZ 2.85Å; E886-K890 PolarHBondContact OE2-NZ 3.34Å
891	I	52	Low	53.3	Low	132 Å²	132	113.9 Å²	113.9	68%	0.677	57%	0.571	S	S	*	*	H	α-helix	trans	-70.3	-33.4	174.1	-64.6	167.3	0	0	0	111.7	E889	E889-I891 PolarHBondContact O-N 2.91Å; E889-I891 VanDerWaalsContact O-N 3.15Å
892	R	52.7	Low	50.9	Low	219 Å²	219	117.5 Å²	117.5	83%	0.826	60%	0.597	S	S	*	*	H	α-helix	trans	-78.6	-33	175	-76.6	-179.2	171.2	175.6	-4.1	113.2	E889 R894	E889-R892 CarbonylContact O-C 3.57Å; E889-R892 WeakPolarHBondContact O-CA 3.3Å; E889-R892 WeakPolarHBondContact O-CB 3.43Å; E889-R892 PolarHBondContact O-N 3.35Å; R892-R894 PolarHBondContact O-N 2.93Å
893	R	54.7	Low	49.3	Very low	109 Å²	109	117.2 Å²	117.2	41%	0.411	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-11	178.9	-69.8	-179.4	-168.8	-177.2	5.7	114.8	E889 R895	E889-R893 WeakPolarHBondContact O-CG 3.36Å; E889-R893 PolarHBondContact O-N 2.65Å; E889-R893 IonicContact OE2-CZ 2.83Å; E889-R893 IonicContact OE2-NE 3.13Å; E889-R893 IonicContact OE2-NH2 3.96Å; E889-R893 PolarHBondContact OE2-NH2 2.94Å; R893-R895 VanDerWaalsContact C-N 3.32Å; R893-R895 PolarHBondContact O-N 3.2Å
894	R	46.9	Very low	48.4	Very low	216 Å²	216	118.9 Å²	118.9	82%	0.815	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	0.9	-172.3	-80.7	-176.8	-178.9	-173.4	1	116	R892	R892-R894 PolarHBondContact O-N 2.93Å
895	R	48.3	Very low	47.4	Very low	214 Å²	214	120.9 Å²	120.9	81%	0.808	61%	0.611	S	S	*	*			trans	-139.3	104.4	175.7	-66.4	-174.9	-172.9	177.6	1.5	110.2	R893 V897	R893-R895 VanDerWaalsContact C-N 3.32Å; R893-R895 PolarHBondContact O-N 3.2Å; R895-V897 PolarHBondContact O-N 3.42Å
896	P	47.2	Very low	46.3	Very low	96 Å²	96	129 Å²	129	62%	0.623	64%	0.644	S	S	*	*			trans	-56	128.4	155.5	23.2	-29.6	0	0	0	107.4	S898	P896-S898 PolarHBondContact O-N 3.33Å
897	V	43.9	Very low	45.8	Very low	77 Å²	77	132.1 Å²	132.1	47%	0.467	66%	0.663	S	S	.	*			trans	-78.3	81	170	-176.9	0	0	0	0	106.3	R895 V899	R895-V897 PolarHBondContact O-N 3.42Å; V897-V899 PolarHBondContact O-N 3.49Å
898	S	44.5	Very low	45.6	Very low	75 Å²	75	132.7 Å²	132.7	52%	0.524	67%	0.67	S	S	.	*			trans	-72.1	115.2	153	61.6	0	0	0	0	105.9	P896 S900	P896-S898 PolarHBondContact O-N 3.33Å; S898-S900 PolarHBondContact O-N 3.03Å
899	V	39.7	Very low	46.1	Very low	113 Å²	113	128.1 Å²	128.1	69%	0.685	66%	0.658	S	S	*	*			trans	-72.1	70	154.3	-101.7	0	0	0	0	107.1	P870 V897	P870-V899 HydrophobicContact CG-CG2 4Å; V897-V899 PolarHBondContact O-N 3.49Å
900	S	37.7	Very low	47.3	Very low	54 Å²	54	128.9 Å²	128.9	38%	0.378	67%	0.667	S	S	.	*	S	Bend	trans	-129.5	122.1	166.4	-52.1	0	0	0	0	105	S898 S902	S898-S900 PolarHBondContact O-N 3.03Å; S900-S902 PolarHBondContact O-N 3.22Å
901	P	36.2	Very low	49.1	Very low	125 Å²	125	124.5 Å²	124.5	81%	0.812	65%	0.648	S	S	*	*			trans	-54.3	132.4	174.9	-16.9	28	0	0	0	108.7	S903	P901-S903 PolarHBondContact O-N 2.99Å
902	S	31.7	Very low	51.1	Low	112 Å²	112	119 Å²	119	78%	0.783	62%	0.619	S	S	*	*			trans	-61	124.6	-179.3	-42.7	0	0	0	0	110.5	S900	S900-S902 PolarHBondContact O-N 3.22Å
903	S	37.5	Very low	53.2	Low	101 Å²	101	108.7 Å²	108.7	71%	0.706	58%	0.58	S	S	*	*	S	Bend	trans	43.9	124	147.7	59.4	0	0	0	0	119.5	P901	P901-S903 PolarHBondContact O-N 2.99Å
904	S	41.5	Very low	55.3	Low	111 Å²	111	103.5 Å²	103.5	78%	0.776	56%	0.561	S	S	*	*			trans	63.5	79	153.4	59.7	0	0	0	0	116.3
905	Q	34.7	Very low	57.7	Low	195 Å²	195	93.3 Å²	93.3	91%	0.911	52%	0.523	S	S	*	.			trans	-153.1	121.7	145.6	-105.7	164	29.9	0	0	109.8
906	E	38.7	Very low	60.1	Low	190 Å²	190	83.1 Å²	83.1	89%	0.888	48%	0.484	S	S	*	.			trans	28.7	111.1	163.8	-63.7	-179.7	172.3	0	0	120.4	N908	E906-N908 PolarHBondContact O-N 3.38Å; E906-N908 VanDerWaalsContact O-N 3.12Å
907	L	47	Very low	62.5	Low	141 Å²	141	78.5 Å²	78.5	74%	0.738	45%	0.454	S	S	*	.	S	Bend	trans	-56.6	100.5	172.5	-71.3	154.2	0	0	0	113.1	C807	C807-L907 HydrophobicContact CB-CD2 4.49Å; C807-L907 WeakPolarHBondContact O-CD2 3.38Å
908	N	51.9	Low	65	Low	160 Å²	160	77.9 Å²	77.9	86%	0.856	45%	0.446	S	S	*	.			trans	-159	40	148.5	-127.3	4.9	0	0	0	113.6	E906 S910	E906-N908 PolarHBondContact O-N 3.38Å; E906-N908 VanDerWaalsContact O-N 3.12Å; N908-S910 PolarHBondContact O-N 3.22Å
909	E	67.9	Low	67.4	Low	119 Å²	119	77.2 Å²	77.2	56%	0.556	43%	0.434	S	S	*	.			trans	-86.1	102.8	176.3	-68.8	-173.2	175.4	0	0	110.8	F801	F801-E909 WeakPolarHBondContact CE2-O 3.47Å; F801-E909 WeakPolarHBondContact CZ-O 3.35Å
910	S	83.6	Confident	70.1	Confident	46 Å²	46	72.1 Å²	72.1	32%	0.322	40%	0.403	S	S	.	.			trans	-80	131.8	167.1	59.2	0	0	0	0	110.4	S864 N908 L926	S864-S910 VanDerWaalsContact CA-O 3.28Å; S864-S910 WeakPolarHBondContact CA-O 3.4Å; S864-S910 VanDerWaalsContact CB-O 3.3Å; S864-S910 WeakPolarHBondContact CB-O 3.48Å; S864-S910 PolarHBondContact N-O 2.87Å; N908-S910 PolarHBondContact O-N 3.22Å; S910-L926 WeakPolarHBondContact CA-O 3.33Å
911	Q	92.8	Very high	73	Confident	9 Å²	9	69.5 Å²	69.5	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	165.5	171.5	-69.1	-178.1	-10.4	0	0	110.6	T800 F801 L862 L869 S925 L926	T800-Q911 VanDerWaalsContact CB-OE1 3.25Å; T800-Q911 PolarHBondContact OG1-OE1 3.4Å; F801-Q911 HydrophobicContact CE2-CB 4.41Å; F801-Q911 HydrophobicContact CE2-CG 4.18Å; L862-Q911 WeakPolarHBondContact O-CA 3.42Å; L862-Q911 WeakPolarHBondContact O-CB 3.31Å; L869-Q911 HydrophobicContact CD1-CG 4.18Å; Q911-S925 CarbonylContact O-C 3.23Å; Q911-S925 WeakPolarHBondContact O-CA 3.4Å; Q911-L926 HydrophobicContact CB-CB 4.34Å; Q911-L926 PolarHBondContact N-O 3.37Å; Q911-L926 VanDerWaalsContact N-O 3.12Å; Q911-L926 PolarHBondContact O-N 2.61Å
912	F	94.6	Very high	76	Confident	18 Å²	18	65 Å²	65	8%	0.079	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.1	178.4	-55.8	-88.4	0	0	0	111.7	I37 F861 L862 V923 I924 I932	I37-F912 HydrophobicContact CD1-CD2 3.69Å; I37-F912 HydrophobicContact CD1-CE2 3.35Å; I37-F912 HydrophobicContact CD1-CZ 4.1Å; I37-F912 HydrophobicContact CG1-CE2 4.3Å; F861-F912 CarbonylContact C-O 3.57Å; F861-F912 VanDerWaalsContact CA-O 3.31Å; F861-F912 WeakPolarHBondContact CA-O 3.1Å; L862-F912 HydrophobicContact CB-CB 4.29Å; L862-F912 PolarHBondContact N-O 3.48Å; L862-F912 PolarHBondContact O-N 3.49Å; F912-V923 HydrophobicContact CB-CG1 3.9Å; F912-V923 HydrophobicContact CD1-CG1 4.1Å; F912-V923 HydrophobicContact CG-CG1 4.38Å; F912-I924 CarbonylContact C-O 3.38Å; F912-I924 WeakPolarHBondContact CA-O 3.41Å; F912-I932 HydrophobicContact CD1-CD1 4.15Å; F912-I932 HydrophobicContact CE1-CD1 3.69Å
913	A	96.7	Very high	79.1	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.6	169.8	0	0	0	0	0	110.1	L849 F861 V923 I924 L926	L849-A913 HydrophobicContact CD2-CB 4.29Å; F861-A913 HydrophobicContact CD1-CB 3.86Å; F861-A913 HydrophobicContact CE1-CB 3.58Å; F861-A913 HydrophobicContact CZ-CB 4.25Å; A913-V923 CarbonylContact O-C 3.56Å; A913-V923 WeakPolarHBondContact O-CA 3.41Å; A913-I924 HydrophobicContact CB-CB 4.36Å; A913-I924 PolarHBondContact N-O 3.07Å; A913-I924 PolarHBondContact O-N 3.08Å; A913-L926 HydrophobicContact CB-CD1 4.22Å
914	V	97.7	Very high	81.9	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.2	172.7	-173.1	0	0	0	0	108	M859 A860 L862 K922 V923 V948 V957 V971	M859-V914 WeakPolarHBondContact CA-O 3.49Å; A860-V914 PolarHBondContact N-O 3.46Å; A860-V914 PolarHBondContact O-N 3.19Å; L862-V914 HydrophobicContact CD1-CG2 4.3Å; L862-V914 HydrophobicContact CG-CG2 4.25Å; V914-K922 WeakPolarHBondContact CA-O 3.3Å; V914-V923 HydrophobicContact CG1-CG2 4.45Å; V914-V923 HydrophobicContact CG2-CG2 4.2Å; V914-V948 HydrophobicContact CG1-CG2 4.13Å; V914-V957 HydrophobicContact CG1-CG2 3.85Å; V914-V971 HydrophobicContact CG2-CG1 3.61Å
915	V	98.3	Very high	84.4	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.6	-177.8	-174.6	0	0	0	0	109.5	V822 V850 L852 I856 M859 A921 K922 I924	V822-V915 HydrophobicContact CG2-CG1 3.68Å; V822-V915 HydrophobicContact CG2-CG2 4.44Å; V850-V915 HydrophobicContact CG1-CG2 4.25Å; L852-V915 HydrophobicContact CD1-CB 4.33Å; L852-V915 HydrophobicContact CD1-CG1 3.78Å; L852-V915 HydrophobicContact CD2-CB 4.29Å; L852-V915 HydrophobicContact CD2-CG1 3.88Å; L852-V915 WeakPolarHBondContact CD2-O 3.11Å; I856-V915 HydrophobicContact CD1-CG1 3.94Å; I856-V915 HydrophobicContact CG2-CG1 4.23Å; M859-V915 HydrophobicContact CG-CG1 4.4Å; V915-A921 CarbonylContact O-C 3.55Å; V915-A921 WeakPolarHBondContact O-CA 3.48Å; V915-K922 PolarHBondContact N-O 2.65Å; V915-K922 PolarHBondContact O-N 2.97Å; V915-I924 HydrophobicContact CB-CD1 4.25Å; V915-I924 HydrophobicContact CG2-CD1 3.63Å
916	C	98.1	Very high	87.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.6	177.6	-58.9	0	0	0	0	110.1	M857 R858 A946 V957	M857-C916 PolarHBondContact N-O 2.9Å; R858-C916 HydrophobicContact CB-CB 4.3Å; R858-C916 PolarHBondContact N-O 2.54Å; R858-C916 PolarHBondContact O-N 3.13Å; C916-A946 HydrophobicContact CB-CB 3.94Å; C916-V957 VanDerWaalsContact SG-CG1 3.54Å
917	S	97.5	Very high	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	173.7	169.5	74.2	0	0	0	0	111	K853 S855 K919 Q920 I943	K853-S917 WeakPolarHBondContact O-CB 3.27Å; K853-S917 PolarHBondContact O-OG 2.94Å; S855-S917 CarbonylContact O-C 3.59Å; S855-S917 WeakPolarHBondContact O-CA 3.22Å; S855-S917 VanDerWaalsContact O-CB 3.3Å; S855-S917 WeakPolarHBondContact O-CB 3.46Å; S917-K919 PolarHBondContact O-N 3.1Å; S917-Q920 PolarHBondContact N-O 3.4Å; S917-Q920 PolarHBondContact O-N 3.04Å; S917-Q920 WeakPolarHBondContact OG-CG 3.37Å; S917-Q920 PolarHBondContact OG-N 2.85Å; S917-Q920 PolarHBondContact OG-O 3.46Å; S917-I943 WeakPolarHBondContact O-CD1 3.43Å
918	E	95.9	Very high	91.8	Very high	64 Å²	64	28.9 Å²	28.9	30%	0.299	15%	0.153	S	C	.	.	S	Bend	trans	-55	-14.1	177.4	-71.7	173.2	159	0	0	115.6	S855 M857 F942 I943	S855-E918 WeakPolarHBondContact CB-OE1 3.49Å; S855-E918 PolarHBondContact N-OE2 3.08Å; S855-E918 PolarHBondContact O-N 2.91Å; M857-E918 HydrophobicContact CG-CG 4.11Å; M857-E918 HydrophobicContact SD-CG 3.9Å; E918-F942 HydrophobicContact CB-CB 4.35Å; E918-F942 CarbonylContact O-C 3.58Å; E918-F942 WeakPolarHBondContact O-CA 3.36Å; E918-I943 WeakPolarHBondContact O-CG1 3.37Å; E918-I943 PolarHBondContact O-N 2.64Å
919	K	96.4	Very high	93.7	Very high	61 Å²	61	23.5 Å²	23.5	27%	0.265	12%	0.123	S	C	.	.	S	Bend	trans	-126.8	-24.8	-174.3	-58.4	-68.6	-174.8	164.3	0	114.2	K853 S917 I937 T938 S941	K853-K919 HydrophobicContact CB-CB 4.16Å; K853-K919 HydrophobicContact CB-CG 4.43Å; K853-K919 WeakPolarHBondContact O-CB 3.48Å; S917-K919 PolarHBondContact O-N 3.1Å; K919-I937 PolarHBondContact O-N 3.1Å; K919-T938 WeakPolarHBondContact CD-O 3.39Å; K919-T938 PolarHBondContact O-N 2.88Å; K919-S941 WeakPolarHBondContact CD-O 3.29Å; K919-S941 WeakPolarHBondContact CE-O 3.32Å; K919-S941 PolarHBondContact NZ-O 3.49Å
920	Q	96.5	Very high	94.9	Very high	5 Å²	5	21.3 Å²	21.3	2%	0.023	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157.6	-169.5	58.3	176.3	20.9	0	0	112.2	L852 S917 H935	L852-Q920 HydrophobicContact CB-CG 4.29Å; L852-Q920 VanDerWaalsContact CB-NE2 3.25Å; L852-Q920 HydrophobicContact CD2-CG 4.14Å; L852-Q920 HydrophobicContact CG-CG 4.38Å; S917-Q920 PolarHBondContact N-O 3.4Å; S917-Q920 PolarHBondContact O-N 3.04Å; S917-Q920 WeakPolarHBondContact OG-CG 3.37Å; S917-Q920 PolarHBondContact OG-N 2.85Å; S917-Q920 PolarHBondContact OG-O 3.46Å; Q920-H935 CarbonylContact C-O 3.57Å; Q920-H935 WeakPolarHBondContact CA-O 3.14Å; Q920-H935 WeakPolarHBondContact CB-O 3.31Å
921	A	98.1	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	147.7	167.4	0	0	0	0	0	110.3	V915 K934 H935 I937 L969 L974	V915-A921 CarbonylContact O-C 3.55Å; V915-A921 WeakPolarHBondContact O-CA 3.48Å; A921-K934 WeakPolarHBondContact O-CA 3.39Å; A921-H935 PolarHBondContact N-O 2.96Å; A921-H935 PolarHBondContact O-N 3.38Å; A921-I937 HydrophobicContact CB-CD1 4Å; A921-L969 HydrophobicContact CB-CD1 4.34Å; A921-L974 HydrophobicContact CB-CD1 3.94Å; A921-L974 HydrophobicContact CB-CD2 4.01Å; A921-L974 WeakPolarHBondContact O-CD1 3.47Å
922	K	98.1	Very high	95.5	Very high	30 Å²	30	25.1 Å²	25.1	13%	0.13	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.4	173	-72	-174.2	178.3	178.7	0	110.6	V850 R851 L852 V914 V915 I924 Y933 K934	V850-K922 HydrophobicContact CG2-CD 3.93Å; R851-K922 PolarHBondContact O-NZ 3.27Å; L852-K922 HydrophobicContact CD1-CD 4.03Å; L852-K922 HydrophobicContact CD2-CB 4.41Å; L852-K922 HydrophobicContact CD2-CD 4.37Å; L852-K922 HydrophobicContact CD2-CG 4.21Å; L852-K922 HydrophobicContact CG-CD 3.89Å; L852-K922 HydrophobicContact CG-CG 4.27Å; V914-K922 WeakPolarHBondContact CA-O 3.3Å; V915-K922 PolarHBondContact N-O 2.65Å; V915-K922 PolarHBondContact O-N 2.97Å; K922-I924 HydrophobicContact CB-CD1 4.22Å; K922-Y933 CarbonylContact C-O 3.58Å; K922-Y933 WeakPolarHBondContact CA-O 3.21Å; K922-K934 HydrophobicContact CG-CB 4.25Å; K922-K934 HydrophobicContact CG-CG 4.04Å
923	V	97.5	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.5	167.2	-177.6	0	0	0	0	109.1	F912 A913 V914 C931 I932 Y933 P972 L974	F912-V923 HydrophobicContact CB-CG1 3.9Å; F912-V923 HydrophobicContact CD1-CG1 4.1Å; F912-V923 HydrophobicContact CG-CG1 4.38Å; A913-V923 CarbonylContact O-C 3.56Å; A913-V923 WeakPolarHBondContact O-CA 3.41Å; V914-V923 HydrophobicContact CG1-CG2 4.45Å; V914-V923 HydrophobicContact CG2-CG2 4.2Å; V923-C931 CarbonylContact O-C 3.58Å; V923-C931 WeakPolarHBondContact O-CA 3.25Å; V923-I932 PolarHBondContact O-N 3.17Å; V923-Y933 HydrophobicContact CB-CD2 4.34Å; V923-Y933 PolarHBondContact N-O 2.78Å; V923-Y933 PolarHBondContact O-N 2.79Å; V923-P972 HydrophobicContact CG1-CB 4.01Å; V923-P972 WeakPolarHBondContact CG2-O 2.97Å; V923-L974 HydrophobicContact CG2-CD1 4.03Å; V923-L974 HydrophobicContact CG2-CD2 3.97Å; V923-L974 HydrophobicContact CG2-CG 3.86Å
924	I	96.4	Very high	95.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.9	-177.9	-56.2	104.4	0	0	0	108.6	L849 V850 F912 A913 V915 K922 Q929 T930	L849-I924 HydrophobicContact CD1-CG2 4.24Å; L849-I924 HydrophobicContact CD2-CD1 4.45Å; V850-I924 HydrophobicContact CB-CD1 4.3Å; V850-I924 HydrophobicContact CG1-CD1 3.88Å; V850-I924 HydrophobicContact CG2-CD1 4.43Å; V850-I924 HydrophobicContact CG2-CG1 4.5Å; F912-I924 CarbonylContact C-O 3.38Å; F912-I924 WeakPolarHBondContact CA-O 3.41Å; A913-I924 HydrophobicContact CB-CB 4.36Å; A913-I924 PolarHBondContact N-O 3.07Å; A913-I924 PolarHBondContact O-N 3.08Å; V915-I924 HydrophobicContact CB-CD1 4.25Å; V915-I924 HydrophobicContact CG2-CD1 3.63Å; K922-I924 HydrophobicContact CB-CD1 4.22Å; I924-Q929 HydrophobicContact CG2-CB 4.46Å; I924-T930 CarbonylContact C-O 3.49Å; I924-T930 WeakPolarHBondContact CA-O 3.45Å
925	S	94.3	Very high	95.6	Very high	15 Å²	15	35 Å²	35	11%	0.105	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.7	171.4	162.2	0	0	0	0	110.9	Q911 S928 Q929 T930	Q911-S925 CarbonylContact O-C 3.23Å; Q911-S925 WeakPolarHBondContact O-CA 3.4Å; S925-S928 PolarHBondContact O-OG 2.95Å; S925-S928 PolarHBondContact OG-OG 3.45Å; S925-Q929 WeakPolarHBondContact O-CA 3.29Å; S925-Q929 PolarHBondContact O-N 3.14Å; S925-T930 PolarHBondContact N-O 3.01Å; S925-T930 PolarHBondContact O-N 3.27Å
926	L	92.8	Very high	95.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.7	175.9	-58.9	177.5	0	0	0	109.3	T800 F801 L849 F861 S910 Q911 A913 Q929	T800-L926 HydrophobicContact CG2-CD1 4.49Å; T800-L926 WeakPolarHBondContact OG1-CD1 3.18Å; F801-L926 HydrophobicContact CB-CB 4.38Å; F801-L926 HydrophobicContact CD2-CB 3.79Å; L849-L926 HydrophobicContact CD1-CD2 3.88Å; F861-L926 HydrophobicContact CD1-CD1 3.94Å; F861-L926 HydrophobicContact CE1-CD1 3.88Å; S910-L926 WeakPolarHBondContact CA-O 3.33Å; Q911-L926 HydrophobicContact CB-CB 4.34Å; Q911-L926 PolarHBondContact N-O 3.37Å; Q911-L926 VanDerWaalsContact N-O 3.12Å; Q911-L926 PolarHBondContact O-N 2.61Å; A913-L926 HydrophobicContact CB-CD1 4.22Å; L926-Q929 HydrophobicContact CD2-CG 4.01Å
927	P	91.4	Very high	95.3	Very high	32 Å²	32	38.4 Å²	38.4	21%	0.208	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	3.6	4.4	34.5	-37.6	0	0	0	114.4	F801 K804 G805 D806 Q929	F801-P927 HydrophobicContact CB-CB 3.76Å; F801-P927 HydrophobicContact CD1-CB 3.79Å; F801-P927 HydrophobicContact CD1-CG 4.19Å; F801-P927 HydrophobicContact CD2-CB 4.2Å; F801-P927 HydrophobicContact CE1-CB 4.41Å; F801-P927 HydrophobicContact CE1-CG 4.32Å; F801-P927 HydrophobicContact CG-CB 3.65Å; F801-P927 HydrophobicContact CG-CG 4.33Å; K804-P927 VanDerWaalsContact CA-O 3.27Å; K804-P927 WeakPolarHBondContact CA-O 3.48Å; G805-P927 PolarHBondContact N-O 2.74Å; D806-P927 WeakPolarHBondContact O-CB 3.32Å; D806-P927 WeakPolarHBondContact O-CG 3.45Å; P927-Q929 PolarHBondContact O-N 2.85Å
928	S	91.1	Very high	95	Very high	41 Å²	41	39.3 Å²	39.3	29%	0.287	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.3	-174.6	67	0	0	0	0	113.9	K804 S925 T930	K804-S928 WeakPolarHBondContact CE-O 3.47Å; S925-S928 PolarHBondContact O-OG 2.95Å; S925-S928 PolarHBondContact OG-OG 3.45Å; S928-T930 PolarHBondContact O-N 3.46Å; S928-T930 PolarHBondContact OG-N 3.36Å; S928-T930 PolarHBondContact OG-OG1 2.83Å
929	Q	92.5	Very high	94.6	Very high	48 Å²	48	43.8 Å²	43.8	22%	0.224	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	26.7	-172	-59.3	-174	-7.2	0	0	113.1	K804 L849 I924 S925 L926 P927	K804-Q929 HydrophobicContact CB-CG 4.3Å; L849-Q929 HydrophobicContact CD1-CB 4.21Å; L849-Q929 HydrophobicContact CD1-CG 3.71Å; I924-Q929 HydrophobicContact CG2-CB 4.46Å; S925-Q929 WeakPolarHBondContact O-CA 3.29Å; S925-Q929 PolarHBondContact O-N 3.14Å; L926-Q929 HydrophobicContact CD2-CG 4.01Å; P927-Q929 PolarHBondContact O-N 2.85Å
930	T	93	Very high	94.3	Very high	72 Å²	72	46.1 Å²	46.1	44%	0.442	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.7	176.8	57.7	0	0	0	0	110.4	I924 S925 S928 I932	I924-T930 CarbonylContact C-O 3.49Å; I924-T930 WeakPolarHBondContact CA-O 3.45Å; S925-T930 PolarHBondContact N-O 3.01Å; S925-T930 PolarHBondContact O-N 3.27Å; S928-T930 PolarHBondContact O-N 3.46Å; S928-T930 PolarHBondContact OG-N 3.36Å; S928-T930 PolarHBondContact OG-OG1 2.83Å; T930-I932 PolarHBondContact O-N 2.93Å
931	C	95.1	Very high	94.1	Very high	62 Å²	62	46.7 Å²	46.7	42%	0.419	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	113.9	169.7	-177.4	0	0	0	0	109.1	V923 Y933	V923-C931 CarbonylContact O-C 3.58Å; V923-C931 WeakPolarHBondContact O-CA 3.25Å; C931-Y933 PolarHBondContact SG-O 2.83Å; C931-Y933 VanDerWaalsContact SG-O 3.35Å
932	I	94.4	Very high	93.8	Very high	73 Å²	73	50.5 Å²	50.5	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-45.7	-178.6	-58	177.4	0	0	0	109.9	F912 V923 T930	F912-I932 HydrophobicContact CD1-CD1 4.15Å; F912-I932 HydrophobicContact CE1-CD1 3.69Å; V923-I932 PolarHBondContact O-N 3.17Å; T930-I932 PolarHBondContact O-N 2.93Å
933	Y	96.4	Very high	93.7	Very high	64 Å²	64	49.1 Å²	49.1	25%	0.251	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.7	179.9	-60	-76.1	0	0	0	111.2	L36 K922 V923 C931 P972	L36-Y933 HydrophobicContact CD2-CE2 4.48Å; L36-Y933 WeakPolarHBondContact CD2-OH 3.48Å; K922-Y933 CarbonylContact C-O 3.58Å; K922-Y933 WeakPolarHBondContact CA-O 3.21Å; V923-Y933 HydrophobicContact CB-CD2 4.34Å; V923-Y933 PolarHBondContact N-O 2.78Å; V923-Y933 PolarHBondContact O-N 2.79Å; C931-Y933 PolarHBondContact SG-O 2.83Å; C931-Y933 VanDerWaalsContact SG-O 3.35Å; Y933-P972 WeakPolarHBondContact CB-O 3.3Å; Y933-P972 HydrophobicContact CD2-CB 4.11Å; Y933-P972 WeakPolarHBondContact CD2-O 3.43Å; Y933-P972 HydrophobicContact CE2-CB 4.06Å; Y933-P972 HydrophobicContact CE2-CG 4.22Å; Y933-P972 VanDerWaalsContact CG-O 3.31Å
934	K	96.4	Very high	93.4	Very high	120 Å²	120	50.5 Å²	50.5	52%	0.522	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	131.8	175.7	177.9	-173.1	175.9	-167.5	0	109	A921 K922	A921-K934 WeakPolarHBondContact O-CA 3.39Å; K922-K934 HydrophobicContact CG-CB 4.25Å; K922-K934 HydrophobicContact CG-CG 4.04Å
935	H	97.1	Very high	93.3	Very high	43 Å²	43	53.8 Å²	53.8	20%	0.199	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.5	176.4	-170.8	91.1	0	0	0	110.4	Q920 A921 I937 L969 L974	Q920-H935 CarbonylContact C-O 3.57Å; Q920-H935 WeakPolarHBondContact CA-O 3.14Å; Q920-H935 WeakPolarHBondContact CB-O 3.31Å; A921-H935 PolarHBondContact N-O 2.96Å; A921-H935 PolarHBondContact O-N 3.38Å; H935-I937 PolarHBondContact O-N 3.05Å; H935-L969 HydrophobicContact CB-CD1 4.28Å; H935-L974 HydrophobicContact CB-CB 3.77Å; H935-L974 HydrophobicContact CB-CD1 4.02Å; H935-L974 PolarHBondContact ND1-O 3.14Å
936	S	96.1	Very high	93.5	Very high	58 Å²	58	53.2 Å²	53.2	41%	0.406	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	105.4	170.8	-65.3	0	0	0	0	108.5
937	I	94.6	Very high	93.6	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.077	29%	0.291	C	S	.	.			trans	-73.9	-45.4	-175.3	-64.8	171.3	0	0	0	110.1	K919 A921 H935 I943 M967 L969	K919-I937 PolarHBondContact O-N 3.1Å; A921-I937 HydrophobicContact CB-CD1 4Å; H935-I937 PolarHBondContact O-N 3.05Å; I937-I943 HydrophobicContact CB-CD1 3.9Å; I937-I943 HydrophobicContact CD1-CD1 3.37Å; I937-I943 HydrophobicContact CG1-CD1 4.19Å; I937-I943 HydrophobicContact CG2-CD1 3.73Å; I937-I943 HydrophobicContact CG2-CG1 4.04Å; I937-M967 HydrophobicContact CG2-SD 3.82Å; I937-L969 HydrophobicContact CD1-CD1 4.1Å; I937-L969 HydrophobicContact CG1-CD1 4.04Å
938	T	91.5	Very high	93.9	Very high	19 Å²	19	52 Å²	52	12%	0.117	28%	0.283	C	S	.	.			trans	-151.6	135.8	179.1	-175.1	0	0	0	0	111.5	K919 S941 I943	K919-T938 WeakPolarHBondContact CD-O 3.39Å; K919-T938 PolarHBondContact O-N 2.88Å; T938-S941 WeakPolarHBondContact CG2-O 3.48Å; T938-S941 WeakPolarHBondContact OG1-CB 3.15Å; T938-S941 PolarHBondContact OG1-N 2.92Å; T938-S941 VanDerWaalsContact OG1-N 3.11Å; T938-I943 HydrophobicContact CG2-CG1 4.37Å
939	E	87.8	Confident	94	Very high	159 Å²	159	50.2 Å²	50.2	74%	0.743	27%	0.27	S	S	*	.	S	Bend	trans	-98.5	-42.4	174.5	-60.9	-164.1	154.2	0	0	111.5
940	A	88.4	Confident	94.1	Very high	109 Å²	109	51.3 Å²	51.3	90%	0.901	28%	0.275	S	S	*	.	S	Bend	trans	-89.7	-14.5	-174.7	0	0	0	0	0	114.7
941	S	92.2	Very high	94	Very high	18 Å²	18	48.1 Å²	48.1	13%	0.126	26%	0.255	C	S	.	.	S	Bend	trans	-127.5	-165.6	178.5	-164.8	0	0	0	0	110.3	K919 T938 N963	K919-S941 WeakPolarHBondContact CD-O 3.29Å; K919-S941 WeakPolarHBondContact CE-O 3.32Å; K919-S941 PolarHBondContact NZ-O 3.49Å; T938-S941 WeakPolarHBondContact CG2-O 3.48Å; T938-S941 WeakPolarHBondContact OG1-CB 3.15Å; T938-S941 PolarHBondContact OG1-N 2.92Å; T938-S941 VanDerWaalsContact OG1-N 3.11Å; S941-N963 PolarHBondContact OG-N 2.95Å
942	F	92.8	Very high	93.3	Very high	79 Å²	79	49.3 Å²	49.3	35%	0.346	26%	0.257	S	S	.	.			trans	-142.3	156.7	176.1	57.4	-84.9	0	0	0	110.5	E918 L944 C961 A962	E918-F942 HydrophobicContact CB-CB 4.35Å; E918-F942 CarbonylContact O-C 3.58Å; E918-F942 WeakPolarHBondContact O-CA 3.36Å; F942-L944 HydrophobicContact CD2-CD2 4.21Å; F942-L944 HydrophobicContact CE2-CD2 3.55Å; F942-L944 HydrophobicContact CE2-CG 4.44Å; F942-L944 HydrophobicContact CZ-CD2 4.38Å; F942-C961 WeakPolarHBondContact O-CA 3.47Å; F942-A962 HydrophobicContact CD1-CB 4.12Å; F942-A962 HydrophobicContact CD2-CB 4.07Å; F942-A962 HydrophobicContact CE1-CB 3.8Å; F942-A962 HydrophobicContact CE2-CB 3.76Å; F942-A962 HydrophobicContact CG-CB 4.24Å; F942-A962 HydrophobicContact CZ-CB 3.61Å; F942-A962 PolarHBondContact O-N 3.39Å
943	I	94.9	Very high	92.7	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132	176.7	-55.5	173.7	0	0	0	108.9	M857 S917 E918 I937 T938 R945 A946 C959	M857-I943 WeakPolarHBondContact CE-O 3.38Å; M857-I943 HydrophobicContact SD-CB 3.83Å; M857-I943 HydrophobicContact SD-CG2 3.88Å; S917-I943 WeakPolarHBondContact O-CD1 3.43Å; E918-I943 WeakPolarHBondContact O-CG1 3.37Å; E918-I943 PolarHBondContact O-N 2.64Å; I937-I943 HydrophobicContact CB-CD1 3.9Å; I937-I943 HydrophobicContact CD1-CD1 3.37Å; I937-I943 HydrophobicContact CG1-CD1 4.19Å; I937-I943 HydrophobicContact CG2-CD1 3.73Å; I937-I943 HydrophobicContact CG2-CG1 4.04Å; T938-I943 HydrophobicContact CG2-CG1 4.37Å; I943-R945 WeakPolarHBondContact CG2-O 3.32Å; I943-A946 HydrophobicContact CG2-CB 4.12Å; I943-C959 HydrophobicContact CD1-CB 4.48Å; I943-C959 HydrophobicContact CG2-CB 4.22Å
944	L	92.8	Very high	92.4	Very high	29 Å²	29	53 Å²	53	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-36.4	175.5	-67.8	170.8	0	0	0	112	M857 F942 F960 A962 L985 A991	M857-L944 WeakPolarHBondContact CE-O 3.3Å; F942-L944 HydrophobicContact CD2-CD2 4.21Å; F942-L944 HydrophobicContact CE2-CD2 3.55Å; F942-L944 HydrophobicContact CE2-CG 4.44Å; F942-L944 HydrophobicContact CZ-CD2 4.38Å; L944-F960 HydrophobicContact CB-CD1 4.11Å; L944-F960 HydrophobicContact CD1-CD1 3.83Å; L944-F960 HydrophobicContact CD1-CE1 3.53Å; L944-F960 HydrophobicContact CD1-CZ 4.29Å; L944-F960 PolarHBondContact N-O 2.82Å; L944-A962 HydrophobicContact CD1-CB 4.14Å; L944-A962 HydrophobicContact CD2-CB 4.11Å; L944-A962 HydrophobicContact CG-CB 3.93Å; L944-L985 HydrophobicContact CD1-CB 4.3Å; L944-L985 HydrophobicContact CD1-CD1 3.89Å; L944-L985 HydrophobicContact CD1-CD2 3.95Å; L944-L985 HydrophobicContact CD1-CG 4.25Å; L944-L985 HydrophobicContact CD2-CD2 4.14Å; L944-A991 HydrophobicContact CD1-CB 4.24Å; L944-A991 HydrophobicContact CD2-CB 4.04Å
945	R	94.6	Very high	92.3	Very high	71 Å²	71	47.9 Å²	47.9	27%	0.268	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134.4	177.5	-172.1	70.5	-174.9	-160.2	-5	109.6	I943 D947 C959 F960 F994 F996	I943-R945 WeakPolarHBondContact CG2-O 3.32Å; R945-D947 IonicContact CZ-OD2 2.82Å; R945-D947 IonicContact NE-OD1 3.26Å; R945-D947 IonicContact NE-OD2 3.37Å; R945-D947 PolarHBondContact NE-OD2 3.26Å; R945-D947 IonicContact NH2-OD1 3.56Å; R945-D947 IonicContact NH2-OD2 3.04Å; R945-C959 CarbonylContact O-C 3.56Å; R945-C959 WeakPolarHBondContact O-CA 3.32Å; R945-F960 HydrophobicContact CB-CB 4.46Å; R945-F960 PolarHBondContact N-O 3.13Å; R945-F960 PolarHBondContact O-N 3.39Å; R945-F994 HydrophobicContact CB-CD1 4.4Å; R945-F996 HydrophobicContact CB-CE2 4.49Å; R945-F996 HydrophobicContact CG-CD2 4.07Å; R945-F996 HydrophobicContact CG-CE2 4.43Å
946	A	96.6	Very high	92.3	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.2	170.6	0	0	0	0	0	109	M857 R858 C916 I943 A958	M857-A946 HydrophobicContact CB-CB 4.46Å; R858-A946 HydrophobicContact CB-CB 4.36Å; R858-A946 WeakPolarHBondContact CB-O 3.45Å; C916-A946 HydrophobicContact CB-CB 3.94Å; I943-A946 HydrophobicContact CG2-CB 4.12Å; A946-A958 VanDerWaalsContact CA-O 3.3Å; A946-A958 WeakPolarHBondContact CA-O 3.33Å
947	D	96.8	Very high	92.3	Very high	2 Å²	2	43 Å²	43	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.7	175.4	-76.7	-66.1	0	0	0	109.5	R858 R945 V949 A958 F996	R858-D947 IonicContact CZ-OD1 3.77Å; R858-D947 VanDerWaalsContact CZ-OD1 3.22Å; R858-D947 IonicContact NE-OD1 3.8Å; R858-D947 PolarHBondContact NE-OD1 2.62Å; R858-D947 IonicContact NH2-OD1 3.05Å; R858-D947 PolarHBondContact NH2-OD1 3.03Å; R945-D947 IonicContact CZ-OD2 2.82Å; R945-D947 IonicContact NE-OD1 3.26Å; R945-D947 IonicContact NE-OD2 3.37Å; R945-D947 PolarHBondContact NE-OD2 3.26Å; R945-D947 IonicContact NH2-OD1 3.56Å; R945-D947 IonicContact NH2-OD2 3.04Å; D947-V949 HydrophobicContact CB-CG1 3.88Å; D947-A958 PolarHBondContact N-O 2.82Å; D947-A958 PolarHBondContact O-N 3.05Å; D947-F996 HydrophobicContact CB-CB 3.82Å; D947-F996 HydrophobicContact CB-CD2 4.38Å
948	V	95.9	Very high	92.5	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.1	170.5	-178.2	0	0	0	0	106.1	A860 L868 V914 V955 C956 V957	A860-V948 HydrophobicContact CB-CB 3.59Å; A860-V948 HydrophobicContact CB-CG1 3.76Å; A860-V948 HydrophobicContact CB-CG2 3.66Å; L868-V948 HydrophobicContact CD1-CG1 4.21Å; V914-V948 HydrophobicContact CG1-CG2 4.13Å; V948-V955 HydrophobicContact CG1-CG1 3.34Å; V948-C956 WeakPolarHBondContact CA-O 3.32Å; V948-V957 HydrophobicContact CG2-CG2 4.3Å
949	V	95.1	Very high	92.8	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.7	-164.3	-65.6	0	0	0	0	110.3	D947 V955 C956 A958 F996 Y1016	D947-V949 HydrophobicContact CB-CG1 3.88Å; V949-V955 WeakPolarHBondContact O-CA 3.39Å; V949-C956 VanDerWaalsContact CG2-SG 3.57Å; V949-C956 PolarHBondContact N-O 2.9Å; V949-C956 PolarHBondContact O-N 2.76Å; V949-A958 HydrophobicContact CG2-CB 4.18Å; V949-F996 HydrophobicContact CG1-CB 4.21Å; V949-Y1016 WeakPolarHBondContact CG2-OH 3.38Å
950	Q	93.4	Very high	93.2	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.2	171.8	-174.3	176.8	-25.4	0	0	109.8	N952 S954 N998 L999	Q950-N952 WeakPolarHBondContact CG-O 3.42Å; Q950-N952 PolarHBondContact NE2-O 2.77Å; Q950-S954 CarbonylContact C-O 3.52Å; Q950-S954 WeakPolarHBondContact CA-O 3.05Å; Q950-N998 HydrophobicContact CB-CB 4.49Å; Q950-N998 PolarHBondContact N-OD1 2.97Å; Q950-L999 PolarHBondContact O-N 3.35Å
951	M	90.1	Very high	93.5	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.7	172.4	-69.2	-69.5	-68.4	0	0	107.5	L41 F46 Q953 S954 C956 G1000 Y1016	L41-M951 HydrophobicContact CD1-CB 4.12Å; L41-M951 HydrophobicContact CD2-CB 3.98Å; F46-M951 HydrophobicContact CD1-CE 4.23Å; F46-M951 HydrophobicContact CE1-CE 3.78Å; F46-M951 HydrophobicContact CE1-CG 4.38Å; F46-M951 HydrophobicContact CE1-SD 4.48Å; F46-M951 HydrophobicContact CZ-CE 4.28Å; F46-M951 HydrophobicContact CZ-CG 4.46Å; M951-Q953 PolarHBondContact O-N 3.19Å; M951-S954 CarbonylContact C-O 3.55Å; M951-S954 PolarHBondContact N-O 2.77Å; M951-S954 PolarHBondContact O-N 3.16Å; M951-S954 VanDerWaalsContact O-O 3.06Å; M951-C956 VanDerWaalsContact CG-SG 3.55Å; M951-G1000 WeakPolarHBondContact SD-CA 2.97Å; M951-G1000 PolarHBondContact SD-N 3.45Å; M951-Y1016 HydrophobicContact CE-CD2 4.39Å; M951-Y1016 HydrophobicContact CE-CE2 4.33Å; M951-Y1016 HydrophobicContact SD-CD2 4.35Å; M951-Y1016 HydrophobicContact SD-CE2 3.72Å
952	N	80.7	Confident	93.5	Very high	88 Å²	88	28.7 Å²	28.7	47%	0.471	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-118.2	-173.9	-62.6	-10.5	0	0	0	111.4	Q950	Q950-N952 WeakPolarHBondContact CG-O 3.42Å; Q950-N952 PolarHBondContact NE2-O 2.77Å
953	Q	81.9	Confident	93.4	Very high	192 Å²	192	28.2 Å²	28.2	90%	0.897	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	20	178.3	-62.7	-178	3.7	0	0	113.1	M951	M951-Q953 PolarHBondContact O-N 3.19Å
954	S	90.9	Very high	93.2	Very high	23 Å²	23	28.2 Å²	28.2	16%	0.161	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	170.3	-176.5	-72.4	0	0	0	0	112.1	T40 Q950 M951	T40-S954 PolarHBondContact OG1-OG 2.78Å; Q950-S954 CarbonylContact C-O 3.52Å; Q950-S954 WeakPolarHBondContact CA-O 3.05Å; M951-S954 CarbonylContact C-O 3.55Å; M951-S954 PolarHBondContact N-O 2.77Å; M951-S954 PolarHBondContact O-N 3.16Å; M951-S954 VanDerWaalsContact O-O 3.06Å
955	V	93.9	Very high	93.3	Very high	11 Å²	11	29 Å²	29	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.2	-172.7	-176.8	0	0	0	0	109.9	L862 L868 V948 V949	L862-V955 HydrophobicContact CD2-CB 4.46Å; L862-V955 HydrophobicContact CD2-CG1 4.22Å; L862-V955 HydrophobicContact CD2-CG2 4.38Å; L868-V955 HydrophobicContact CB-CG2 4.03Å; V948-V955 HydrophobicContact CG1-CG1 3.34Å; V949-V955 WeakPolarHBondContact O-CA 3.39Å
956	C	96.6	Very high	93.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.6	172.4	67.2	0	0	0	0	111.6	L41 V948 V949 M951 L969 L977	L41-C956 HydrophobicContact CD1-CB 3.85Å; V948-C956 WeakPolarHBondContact CA-O 3.32Å; V949-C956 VanDerWaalsContact CG2-SG 3.57Å; V949-C956 PolarHBondContact N-O 2.9Å; V949-C956 PolarHBondContact O-N 2.76Å; M951-C956 VanDerWaalsContact CG-SG 3.55Å; C956-L969 CarbonylContact C-O 3.52Å; C956-L969 WeakPolarHBondContact CA-O 3.23Å; C956-L969 VanDerWaalsContact CB-O 3.23Å; C956-L969 WeakPolarHBondContact CB-O 3.36Å; C956-L977 HydrophobicContact CB-CD1 4.33Å
957	V	97.8	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.5	166	-176.5	0	0	0	0	108.1	V914 C916 V948 T968 L969 V971 L974	V914-V957 HydrophobicContact CG1-CG2 3.85Å; C916-V957 VanDerWaalsContact SG-CG1 3.54Å; V948-V957 HydrophobicContact CG2-CG2 4.3Å; V957-T968 CarbonylContact O-C 3.55Å; V957-T968 WeakPolarHBondContact O-CA 3.27Å; V957-L969 HydrophobicContact CB-CB 4.25Å; V957-L969 PolarHBondContact N-O 3.35Å; V957-L969 PolarHBondContact O-N 3.47Å; V957-V971 HydrophobicContact CG2-CG2 3.69Å; V957-L974 HydrophobicContact CG2-CD2 4.18Å
958	A	97.9	Very high	93.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.3	169.4	0	0	0	0	0	109.8	A946 D947 V949 M967 T968 F996	A946-A958 VanDerWaalsContact CA-O 3.3Å; A946-A958 WeakPolarHBondContact CA-O 3.33Å; D947-A958 PolarHBondContact N-O 2.82Å; D947-A958 PolarHBondContact O-N 3.05Å; V949-A958 HydrophobicContact CG2-CB 4.18Å; A958-M967 CarbonylContact C-O 3.19Å; A958-M967 WeakPolarHBondContact CA-O 3.1Å; A958-T968 HydrophobicContact CB-CG2 4.24Å; A958-F996 HydrophobicContact CB-CB 4.45Å; A958-F996 HydrophobicContact CB-CD1 3.75Å; A958-F996 HydrophobicContact CB-CD2 4.08Å; A958-F996 HydrophobicContact CB-CE1 3.9Å; A958-F996 HydrophobicContact CB-CE2 4.21Å; A958-F996 HydrophobicContact CB-CG 3.85Å; A958-F996 HydrophobicContact CB-CZ 4.13Å
959	C	97.3	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.7	-176.8	-69.4	0	0	0	0	110.7	I943 R945 I966 M967	I943-C959 HydrophobicContact CD1-CB 4.48Å; I943-C959 HydrophobicContact CG2-CB 4.22Å; R945-C959 CarbonylContact O-C 3.56Å; R945-C959 WeakPolarHBondContact O-CA 3.32Å; C959-I966 CarbonylContact O-C 3.6Å; C959-I966 WeakPolarHBondContact O-CA 3.34Å; C959-M967 HydrophobicContact CB-CB 4.43Å; C959-M967 PolarHBondContact N-O 3.42Å; C959-M967 PolarHBondContact O-N 2.91Å
960	F	96.3	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119	167.4	177.5	-127.2	0	0	0	109.1	L944 R945 H965 I966 I990 F994 F996	L944-F960 HydrophobicContact CB-CD1 4.11Å; L944-F960 HydrophobicContact CD1-CD1 3.83Å; L944-F960 HydrophobicContact CD1-CE1 3.53Å; L944-F960 HydrophobicContact CD1-CZ 4.29Å; L944-F960 PolarHBondContact N-O 2.82Å; R945-F960 HydrophobicContact CB-CB 4.46Å; R945-F960 PolarHBondContact N-O 3.13Å; R945-F960 PolarHBondContact O-N 3.39Å; F960-H965 WeakPolarHBondContact CA-O 3.39Å; F960-I966 HydrophobicContact CD2-CG1 3.71Å; F960-I966 HydrophobicContact CE2-CG1 4.39Å; F960-I990 HydrophobicContact CE1-CG2 3.95Å; F960-I990 HydrophobicContact CZ-CG2 4.26Å; F960-F994 HydrophobicContact CB-CD1 4.15Å; F960-F994 HydrophobicContact CB-CE1 4.02Å; F960-F994 HydrophobicContact CB-CZ 4.23Å; F960-F994 HydrophobicContact CD1-CB 4.24Å; F960-F994 HydrophobicContact CD1-CD1 4.27Å; F960-F994 AromaticContact CD1-CD2 3.72Å; F960-F994 HydrophobicContact CD1-CD2 3.72Å; F960-F994 HydrophobicContact CD1-CE2 4.13Å; F960-F994 AromaticContact CD1-CG 3.8Å; F960-F994 HydrophobicContact CD1-CG 3.8Å; F960-F994 HydrophobicContact CD2-CE2 4.3Å; F960-F994 AromaticContact CE1-CD2 3.92Å; F960-F994 HydrophobicContact CE1-CD2 3.92Å; F960-F994 HydrophobicContact CE1-CE2 4.41Å; F960-F994 HydrophobicContact CE1-CG 4.34Å; F960-F994 HydrophobicContact CG-CD1 4.39Å; F960-F994 HydrophobicContact CG-CD2 4.14Å; F960-F994 HydrophobicContact CG-CE1 4.37Å; F960-F994 HydrophobicContact CG-CE2 4.08Å; F960-F994 HydrophobicContact CG-CG 4.3Å; F960-F994 HydrophobicContact CG-CZ 4.21Å; F960-F994 HydrophobicContact CZ-CD2 4.48Å; F960-F996 HydrophobicContact CB-CE2 3.9Å; F960-F996 HydrophobicContact CB-CZ 3.96Å
961	C	94.4	Very high	93.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	150.5	-175.8	-63	0	0	0	0	111.9	F942 N963 G964 H965	F942-C961 WeakPolarHBondContact O-CA 3.47Å; C961-N963 WeakPolarHBondContact CB-OD1 3.29Å; C961-N963 PolarHBondContact O-N 2.84Å; C961-G964 WeakPolarHBondContact O-CA 3.3Å; C961-G964 PolarHBondContact O-N 2.87Å; C961-H965 HydrophobicContact CB-CB 4.3Å; C961-H965 PolarHBondContact N-O 2.83Å
962	A	92.2	Very high	93.7	Very high	17 Å²	17	23.1 Å²	23.1	14%	0.14	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.1	-178.8	0	0	0	0	0	114	F942 L944 G964 L985	F942-A962 HydrophobicContact CD1-CB 4.12Å; F942-A962 HydrophobicContact CD2-CB 4.07Å; F942-A962 HydrophobicContact CE1-CB 3.8Å; F942-A962 HydrophobicContact CE2-CB 3.76Å; F942-A962 HydrophobicContact CG-CB 4.24Å; F942-A962 HydrophobicContact CZ-CB 3.61Å; F942-A962 PolarHBondContact O-N 3.39Å; L944-A962 HydrophobicContact CD1-CB 4.14Å; L944-A962 HydrophobicContact CD2-CB 4.11Å; L944-A962 HydrophobicContact CG-CB 3.93Å; A962-G964 PolarHBondContact O-N 2.94Å; A962-L985 WeakPolarHBondContact O-CB 3.2Å
963	N	91.1	Very high	94.4	Very high	70 Å²	70	19.6 Å²	19.6	37%	0.374	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-1	170.7	67.1	-8.9	0	0	0	113.8	S941 C961 H965	S941-N963 PolarHBondContact OG-N 2.95Å; C961-N963 WeakPolarHBondContact CB-OD1 3.29Å; C961-N963 PolarHBondContact O-N 2.84Å; N963-H965 PolarHBondContact OD1-N 2.83Å
964	G	91.3	Very high	95	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	95.7	3.8	174.7	0	0	0	0	0	116.3	C961 A962 Y982 L983	C961-G964 WeakPolarHBondContact O-CA 3.3Å; C961-G964 PolarHBondContact O-N 2.87Å; A962-G964 PolarHBondContact O-N 2.94Å; G964-Y982 PolarHBondContact O-N 2.6Å; G964-L983 VanDerWaalsContact CA-C 3.49Å; G964-L983 WeakPolarHBondContact CA-O 3.27Å; G964-L983 PolarHBondContact O-N 3.17Å; G964-L983 VanDerWaalsContact O-N 3.14Å
965	H	94.8	Very high	95.3	Very high	47 Å²	47	15.6 Å²	15.6	22%	0.218	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.5	177.5	-77.9	-111.3	0	0	0	111.8	F960 C961 N963 M967 D979 V980	F960-H965 WeakPolarHBondContact CA-O 3.39Å; C961-H965 HydrophobicContact CB-CB 4.3Å; C961-H965 PolarHBondContact N-O 2.83Å; N963-H965 PolarHBondContact OD1-N 2.83Å; H965-M967 HydrophobicContact CB-CG 4.36Å; H965-D979 IonicContact CE1-OD1 3.02Å; H965-D979 IonicContact CG-OD1 3.88Å; H965-D979 IonicContact ND1-OD1 2.66Å; H965-D979 PolarHBondContact ND1-OD1 2.85Å; H965-D979 IonicContact ND1-OD2 2.95Å; H965-V980 CarbonylContact C-O 3.54Å; H965-V980 VanDerWaalsContact CA-O 3.31Å; H965-V980 WeakPolarHBondContact CA-O 3.36Å
966	I	96.8	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.9	163.5	-64	176	0	0	0	107.4	L48 C959 F960 M978 V980 Y982 F994 F996 I1014	L48-I966 HydrophobicContact CD1-CD1 4.1Å; L48-I966 HydrophobicContact CD2-CD1 4.05Å; C959-I966 CarbonylContact O-C 3.6Å; C959-I966 WeakPolarHBondContact O-CA 3.34Å; F960-I966 HydrophobicContact CD2-CG1 3.71Å; F960-I966 HydrophobicContact CE2-CG1 4.39Å; I966-M978 HydrophobicContact CG2-CE 3.74Å; I966-V980 PolarHBondContact N-O 3.48Å; I966-V980 PolarHBondContact O-N 3.07Å; I966-Y982 HydrophobicContact CD1-CD1 3.62Å; I966-Y982 HydrophobicContact CD1-CE1 4.36Å; I966-Y982 HydrophobicContact CD1-CG 3.99Å; I966-Y982 HydrophobicContact CG1-CD1 4.46Å; I966-F994 HydrophobicContact CD1-CE2 4.33Å; I966-F994 HydrophobicContact CD1-CZ 3.93Å; I966-F994 HydrophobicContact CG1-CZ 4.47Å; I966-F996 HydrophobicContact CG2-CE1 4.04Å; I966-F996 HydrophobicContact CG2-CZ 4.06Å; I966-I1014 HydrophobicContact CD1-CD1 3.89Å
967	M	96.5	Very high	95.4	Very high	18 Å²	18	19.2 Å²	19.2	9%	0.089	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.7	-177.5	-59.7	179.5	75	0	0	110.9	I937 A958 C959 H965 M978 D979	I937-M967 HydrophobicContact CG2-SD 3.82Å; A958-M967 CarbonylContact C-O 3.19Å; A958-M967 WeakPolarHBondContact CA-O 3.1Å; C959-M967 HydrophobicContact CB-CB 4.43Å; C959-M967 PolarHBondContact N-O 3.42Å; C959-M967 PolarHBondContact O-N 2.91Å; H965-M967 HydrophobicContact CB-CG 4.36Å; M967-M978 CarbonylContact C-O 3.53Å; M967-M978 WeakPolarHBondContact CA-O 3.39Å; M967-D979 HydrophobicContact CE-CB 4.38Å; M967-D979 HydrophobicContact CG-CB 4.23Å
968	T	97.9	Very high	95.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.4	167.4	61	0	0	0	0	110.9	F46 V957 A958 L977 M978 Y1016	F46-T968 HydrophobicContact CD1-CG2 4.07Å; F46-T968 HydrophobicContact CE1-CG2 3.87Å; V957-T968 CarbonylContact O-C 3.55Å; V957-T968 WeakPolarHBondContact O-CA 3.27Å; A958-T968 HydrophobicContact CB-CG2 4.24Å; T968-L977 PolarHBondContact O-N 3.19Å; T968-L977 WeakPolarHBondContact OG1-CB 3.3Å; T968-M978 HydrophobicContact CG2-CE 3.87Å; T968-M978 PolarHBondContact N-O 2.65Å; T968-M978 PolarHBondContact O-N 2.94Å; T968-M978 WeakPolarHBondContact OG1-CB 3.45Å; T968-M978 PolarHBondContact OG1-N 3.01Å; T968-M978 VanDerWaalsContact OG1-N 3.14Å; T968-Y1016 HydrophobicContact CG2-CD2 4.06Å; T968-Y1016 HydrophobicContact CG2-CE2 4.19Å
969	L	97.6	Very high	95.2	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	178.3	-52.1	177	0	0	0	110.1	A921 H935 I937 C956 V957 L974 R975 P976	A921-L969 HydrophobicContact CB-CD1 4.34Å; H935-L969 HydrophobicContact CB-CD1 4.28Å; I937-L969 HydrophobicContact CD1-CD1 4.1Å; I937-L969 HydrophobicContact CG1-CD1 4.04Å; C956-L969 CarbonylContact C-O 3.52Å; C956-L969 WeakPolarHBondContact CA-O 3.23Å; C956-L969 VanDerWaalsContact CB-O 3.23Å; C956-L969 WeakPolarHBondContact CB-O 3.36Å; V957-L969 HydrophobicContact CB-CB 4.25Å; V957-L969 PolarHBondContact N-O 3.35Å; V957-L969 PolarHBondContact O-N 3.47Å; L969-L974 HydrophobicContact CD1-CD2 4.42Å; L969-R975 CarbonylContact C-O 3.58Å; L969-R975 VanDerWaalsContact CA-O 3.31Å; L969-R975 WeakPolarHBondContact CA-O 3.37Å; L969-P976 HydrophobicContact CD2-CB 4.17Å; L969-P976 HydrophobicContact CD2-CG 4.04Å
970	S	95.9	Very high	95.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	157.5	172.2	77.9	0	0	0	0	111.4	E39 L974 R975	E39-S970 VanDerWaalsContact CD-OG 3.31Å; E39-S970 PolarHBondContact OE1-OG 3.27Å; E39-S970 WeakPolarHBondContact OE2-CB 3.13Å; E39-S970 PolarHBondContact OE2-OG 2.89Å; S970-L974 WeakPolarHBondContact O-CA 3.14Å; S970-L974 PolarHBondContact O-N 2.6Å; S970-R975 PolarHBondContact N-O 3.3Å; S970-R975 WeakPolarHBondContact OG-CB 3.5Å; S970-R975 PolarHBondContact OG-N 3.34Å; S970-R975 VanDerWaalsContact OG-N 3.09Å
971	V	93.9	Very high	95.1	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.073	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	138.6	175.1	-173.3	0	0	0	0	107.9	L862 V914 V957	L862-V971 HydrophobicContact CD1-CB 4.33Å; L862-V971 HydrophobicContact CD1-CG1 3.29Å; L862-V971 HydrophobicContact CG-CG1 4.41Å; V914-V971 HydrophobicContact CG2-CG1 3.61Å; V957-V971 HydrophobicContact CG2-CG2 3.69Å
972	P	92.2	Very high	95	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.026	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	cis	-79.3	-14.7	5.2	32.8	-36.8	0	0	0	116.5	I37 E39 V923 Y933 L974	I37-P972 HydrophobicContact CB-CG 4.16Å; I37-P972 HydrophobicContact CD1-CG 4.1Å; E39-P972 WeakPolarHBondContact OE1-CD 2.69Å; V923-P972 HydrophobicContact CG1-CB 4.01Å; V923-P972 WeakPolarHBondContact CG2-O 2.97Å; Y933-P972 WeakPolarHBondContact CB-O 3.3Å; Y933-P972 HydrophobicContact CD2-CB 4.11Å; Y933-P972 WeakPolarHBondContact CD2-O 3.43Å; Y933-P972 HydrophobicContact CE2-CB 4.06Å; Y933-P972 HydrophobicContact CE2-CG 4.22Å; Y933-P972 VanDerWaalsContact CG-O 3.31Å; P972-L974 VanDerWaalsContact C-N 3.3Å; P972-L974 PolarHBondContact O-N 2.86Å
973	G	94	Very high	94.6	Very high	14 Å²	14	34.8 Å²	34.8	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.9	-167.1	0	0	0	0	0	116.7	E39 R975	E39-G973 WeakPolarHBondContact OE1-CA 3.2Å; E39-G973 PolarHBondContact OE1-N 3.13Å; G973-R975 PolarHBondContact O-N 3.46Å
974	L	96.4	Very high	93.8	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.184	C	C	.	.			trans	52.2	36.8	-178.4	-57.9	179	0	0	0	113.4	A921 V923 H935 V957 L969 S970 P972	A921-L974 HydrophobicContact CB-CD1 3.94Å; A921-L974 HydrophobicContact CB-CD2 4.01Å; A921-L974 WeakPolarHBondContact O-CD1 3.47Å; V923-L974 HydrophobicContact CG2-CD1 4.03Å; V923-L974 HydrophobicContact CG2-CD2 3.97Å; V923-L974 HydrophobicContact CG2-CG 3.86Å; H935-L974 HydrophobicContact CB-CB 3.77Å; H935-L974 HydrophobicContact CB-CD1 4.02Å; H935-L974 PolarHBondContact ND1-O 3.14Å; V957-L974 HydrophobicContact CG2-CD2 4.18Å; L969-L974 HydrophobicContact CD1-CD2 4.42Å; S970-L974 WeakPolarHBondContact O-CA 3.14Å; S970-L974 PolarHBondContact O-N 2.6Å; P972-L974 VanDerWaalsContact C-N 3.3Å; P972-L974 PolarHBondContact O-N 2.86Å
975	R	95.5	Very high	93.2	Very high	126 Å²	126	36.7 Å²	36.7	48%	0.475	19%	0.194	S	C	.	.			trans	-82.5	132.2	177.5	-59	-176.4	-70.5	176.1	0.9	109.4	E39 L969 S970 G973 L977	E39-R975 IonicContact OE2-CZ 3.69Å; E39-R975 VanDerWaalsContact OE2-CZ 3.27Å; E39-R975 IonicContact OE2-NE 2.7Å; E39-R975 PolarHBondContact OE2-NE 2.85Å; E39-R975 IonicContact OE2-NH2 3.74Å; E39-R975 PolarHBondContact OE2-NH2 3.05Å; L969-R975 CarbonylContact C-O 3.58Å; L969-R975 VanDerWaalsContact CA-O 3.31Å; L969-R975 WeakPolarHBondContact CA-O 3.37Å; S970-R975 PolarHBondContact N-O 3.3Å; S970-R975 WeakPolarHBondContact OG-CB 3.5Å; S970-R975 PolarHBondContact OG-N 3.34Å; S970-R975 VanDerWaalsContact OG-N 3.09Å; G973-R975 PolarHBondContact O-N 3.46Å; R975-L977 PolarHBondContact O-N 2.83Å
976	P	96.3	Very high	92.3	Very high	75 Å²	75	40.2 Å²	40.2	49%	0.487	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	126.3	175.4	-24.5	34.6	0	0	0	112.2	L969	L969-P976 HydrophobicContact CD2-CB 4.17Å; L969-P976 HydrophobicContact CD2-CG 4.04Å
977	L	96.6	Very high	91.6	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.063	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-41.8	177.8	-65	172.6	0	0	0	111	L41 S43 F46 C956 T968 R975	L41-L977 HydrophobicContact CB-CD1 3.87Å; L41-L977 HydrophobicContact CD1-CD1 4.4Å; L41-L977 WeakPolarHBondContact O-CD2 3.18Å; S43-L977 WeakPolarHBondContact CA-O 3.28Å; S43-L977 VanDerWaalsContact CB-O 3.24Å; S43-L977 WeakPolarHBondContact CB-O 3.37Å; S43-L977 PolarHBondContact OG-O 3.31Å; F46-L977 HydrophobicContact CD2-CB 3.97Å; F46-L977 HydrophobicContact CE2-CB 3.74Å; F46-L977 HydrophobicContact CE2-CD1 3.66Å; F46-L977 HydrophobicContact CE2-CG 4.21Å; F46-L977 HydrophobicContact CZ-CB 4.28Å; F46-L977 HydrophobicContact CZ-CD1 3.8Å; C956-L977 HydrophobicContact CB-CD1 4.33Å; T968-L977 PolarHBondContact O-N 3.19Å; T968-L977 WeakPolarHBondContact OG1-CB 3.3Å; R975-L977 PolarHBondContact O-N 2.83Å
978	M	96.8	Very high	91.1	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.3	175.6	-173.2	-179.3	62.5	0	0	110.1	F46 L48 I966 M967 T968 V980 Y1016	F46-M978 HydrophobicContact CB-CB 3.93Å; F46-M978 HydrophobicContact CB-CG 4.27Å; F46-M978 HydrophobicContact CB-SD 3.99Å; F46-M978 HydrophobicContact CD1-CB 4.48Å; F46-M978 HydrophobicContact CG-CB 4.23Å; L48-M978 HydrophobicContact CB-SD 4.27Å; I966-M978 HydrophobicContact CG2-CE 3.74Å; M967-M978 CarbonylContact C-O 3.53Å; M967-M978 WeakPolarHBondContact CA-O 3.39Å; T968-M978 HydrophobicContact CG2-CE 3.87Å; T968-M978 PolarHBondContact N-O 2.65Å; T968-M978 PolarHBondContact O-N 2.94Å; T968-M978 WeakPolarHBondContact OG1-CB 3.45Å; T968-M978 PolarHBondContact OG1-N 3.01Å; T968-M978 VanDerWaalsContact OG1-N 3.14Å; M978-V980 HydrophobicContact CG-CG2 3.78Å; M978-V980 HydrophobicContact SD-CG2 4.1Å; M978-Y1016 HydrophobicContact CE-CD2 4.48Å; M978-Y1016 HydrophobicContact CE-CG 4.28Å
979	D	96.1	Very high	90.6	Very high	88 Å²	88	49.9 Å²	49.9	47%	0.471	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	109.8	167.7	-178.3	4.5	0	0	0	108.9	H965 M967	H965-D979 IonicContact CE1-OD1 3.02Å; H965-D979 IonicContact CG-OD1 3.88Å; H965-D979 IonicContact ND1-OD1 2.66Å; H965-D979 PolarHBondContact ND1-OD1 2.85Å; H965-D979 IonicContact ND1-OD2 2.95Å; M967-D979 HydrophobicContact CE-CB 4.38Å; M967-D979 HydrophobicContact CG-CB 4.23Å
980	V	96.1	Very high	90.3	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.297	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.5	-175.3	178.7	0	0	0	0	110	L48 H965 I966 M978 Y982	L48-V980 HydrophobicContact CD2-CB 4.2Å; L48-V980 HydrophobicContact CD2-CG1 3.84Å; H965-V980 CarbonylContact C-O 3.54Å; H965-V980 VanDerWaalsContact CA-O 3.31Å; H965-V980 WeakPolarHBondContact CA-O 3.36Å; I966-V980 PolarHBondContact N-O 3.48Å; I966-V980 PolarHBondContact O-N 3.07Å; M978-V980 HydrophobicContact CG-CG2 3.78Å; M978-V980 HydrophobicContact SD-CG2 4.1Å; V980-Y982 PolarHBondContact O-N 3.38Å; V980-Y982 VanDerWaalsContact O-N 3.13Å
981	N	94.5	Very high	89.9	Confident	108 Å²	108	51.1 Å²	51.1	58%	0.578	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	103.5	165.5	-177	5.8	0	0	0	109.1
982	Y	91.5	Very high	89.5	Confident	48 Å²	48	58.7 Å²	58.7	19%	0.188	30%	0.299	C	S	.	.			trans	-107.7	-58.9	-169.9	174.3	-114.1	0	0	0	112.6	L48 K50 G964 I966 V980 Y1004 I1014	L48-Y982 HydrophobicContact CD2-CD1 4.44Å; L48-Y982 HydrophobicContact CD2-CD2 3.39Å; L48-Y982 HydrophobicContact CD2-CE2 4.14Å; L48-Y982 HydrophobicContact CD2-CG 3.58Å; L48-Y982 HydrophobicContact CG-CD2 4.31Å; K50-Y982 WeakPolarHBondContact CE-OH 3.39Å; K50-Y982 HydrophobicContact CG-CE2 4.49Å; K50-Y982 WeakPolarHBondContact CG-OH 3.25Å; G964-Y982 PolarHBondContact O-N 2.6Å; I966-Y982 HydrophobicContact CD1-CD1 3.62Å; I966-Y982 HydrophobicContact CD1-CE1 4.36Å; I966-Y982 HydrophobicContact CD1-CG 3.99Å; I966-Y982 HydrophobicContact CG1-CD1 4.46Å; V980-Y982 PolarHBondContact O-N 3.38Å; V980-Y982 VanDerWaalsContact O-N 3.13Å; Y982-Y1004 AromaticContact CE1-CE1 3.91Å; Y982-Y1004 HydrophobicContact CE1-CE1 3.91Å; Y982-Y1004 PolarHBondContact OH-OH 3.12Å; Y982-I1014 HydrophobicContact CE1-CD1 4.27Å; Y982-I1014 WeakPolarHBondContact OH-CG2 3.25Å
983	L	84.5	Confident	89.5	Confident	37 Å²	37	58.6 Å²	58.6	19%	0.194	30%	0.299	C	S	.	.			trans	-150	99.3	-168.9	-178.3	64.3	0	0	0	109.4	G964 L985 I990 Y1004	G964-L983 VanDerWaalsContact CA-C 3.49Å; G964-L983 WeakPolarHBondContact CA-O 3.27Å; G964-L983 PolarHBondContact O-N 3.17Å; G964-L983 VanDerWaalsContact O-N 3.14Å; L983-L985 PolarHBondContact O-N 2.59Å; L983-I990 HydrophobicContact CD2-CD1 3.71Å; L983-I990 HydrophobicContact CD2-CG2 4.34Å; L983-I990 HydrophobicContact CG-CD1 4.26Å; L983-Y1004 HydrophobicContact CD2-CD2 4.25Å; L983-Y1004 HydrophobicContact CD2-CE1 4.37Å; L983-Y1004 HydrophobicContact CD2-CE2 3.51Å
984	P	74.8	Confident	89.6	Confident	68 Å²	68	58.1 Å²	58.1	44%	0.442	29%	0.293	S	S	.	.			trans	-57.1	144	175	25.6	-33.4	0	0	0	109.6	T986	P984-T986 VanDerWaalsContact C-N 3.27Å; P984-T986 HydrophobicContact CG-CG2 4.3Å; P984-T986 PolarHBondContact O-N 3.17Å
985	L	77.6	Confident	89.6	Confident	43 Å²	43	58.1 Å²	58.1	23%	0.225	29%	0.293	C	S	.	.			trans	-70.1	87.2	177	-174.4	73.8	0	0	0	109.8	L944 A962 L983 D987 M988 I990 A991	L944-L985 HydrophobicContact CD1-CB 4.3Å; L944-L985 HydrophobicContact CD1-CD1 3.89Å; L944-L985 HydrophobicContact CD1-CD2 3.95Å; L944-L985 HydrophobicContact CD1-CG 4.25Å; L944-L985 HydrophobicContact CD2-CD2 4.14Å; A962-L985 WeakPolarHBondContact O-CB 3.2Å; L983-L985 PolarHBondContact O-N 2.59Å; L985-D987 VanDerWaalsContact CD1-O 3.24Å; L985-D987 WeakPolarHBondContact CD1-O 3.32Å; L985-M988 HydrophobicContact CD2-SD 3.88Å; L985-I990 HydrophobicContact CD1-CB 4.24Å; L985-A991 HydrophobicContact CD1-CB 3.79Å; L985-A991 HydrophobicContact CD2-CB 4.35Å
986	T	77.1	Confident	89.6	Confident	120 Å²	120	52.5 Å²	52.5	74%	0.736	27%	0.272	S	S	*	.			trans	-88.8	-13.6	171.7	56.4	0	0	0	0	112.1	P984	P984-T986 VanDerWaalsContact C-N 3.27Å; P984-T986 HydrophobicContact CG-CG2 4.3Å; P984-T986 PolarHBondContact O-N 3.17Å
987	D	82.7	Confident	89.6	Confident	33 Å²	33	49.5 Å²	49.5	18%	0.176	25%	0.252	C	S	.	.			trans	-146.8	119.4	-168.5	-176.1	-9.3	0	0	0	111.4	L985 R989 I990	L985-D987 VanDerWaalsContact CD1-O 3.24Å; L985-D987 WeakPolarHBondContact CD1-O 3.32Å; D987-R989 VanDerWaalsContact CG-NE 3.3Å; D987-R989 PolarHBondContact O-N 2.84Å; D987-R989 VanDerWaalsContact O-N 3.16Å; D987-R989 VanDerWaalsContact OD1-CB 3.28Å; D987-R989 WeakPolarHBondContact OD1-CB 3.45Å; D987-R989 VanDerWaalsContact OD1-CG 3.3Å; D987-R989 WeakPolarHBondContact OD1-CG 3.49Å; D987-R989 IonicContact OD1-CZ 2.62Å; D987-R989 PolarHBondContact OD1-N 3.35Å; D987-R989 IonicContact OD1-NE 3.83Å; D987-R989 PolarHBondContact OD1-NE 2.95Å; D987-R989 VanDerWaalsContact OD1-NE 3.13Å; D987-R989 IonicContact OD2-CZ 3.61Å; D987-R989 IonicContact OD2-NE 3.51Å; D987-R989 PolarHBondContact OD2-NE 3.11Å; D987-R989 IonicContact OD2-NH2 2.99Å; D987-R989 PolarHBondContact OD2-NH2 2.78Å; D987-I990 HydrophobicContact CB-CD1 4.06Å; D987-I990 HydrophobicContact CB-CG1 4.32Å; D987-I990 WeakPolarHBondContact O-CB 3.2Å; D987-I990 PolarHBondContact O-N 2.97Å; D987-I990 VanDerWaalsContact O-N 3.08Å
988	M	84.4	Confident	89.5	Confident	93 Å²	93	51 Å²	51	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-19.3	-179.7	-67.6	-59.6	-68.7	0	0	113.5	L985 I990 A991 R992	L985-M988 HydrophobicContact CD2-SD 3.88Å; M988-I990 PolarHBondContact O-N 3.16Å; M988-A991 PolarHBondContact O-N 3.28Å; M988-R992 WeakPolarHBondContact O-CG 3.49Å; M988-R992 PolarHBondContact O-N 3.46Å
989	R	88.9	Confident	89.4	Confident	95 Å²	95	51.6 Å²	51.6	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-38.2	172.9	-66.4	178	-67.3	-161.7	4.7	111.4	D987 R992 T993	D987-R989 VanDerWaalsContact CG-NE 3.3Å; D987-R989 PolarHBondContact O-N 2.84Å; D987-R989 VanDerWaalsContact O-N 3.16Å; D987-R989 VanDerWaalsContact OD1-CB 3.28Å; D987-R989 WeakPolarHBondContact OD1-CB 3.45Å; D987-R989 VanDerWaalsContact OD1-CG 3.3Å; D987-R989 WeakPolarHBondContact OD1-CG 3.49Å; D987-R989 IonicContact OD1-CZ 2.62Å; D987-R989 PolarHBondContact OD1-N 3.35Å; D987-R989 IonicContact OD1-NE 3.83Å; D987-R989 PolarHBondContact OD1-NE 2.95Å; D987-R989 VanDerWaalsContact OD1-NE 3.13Å; D987-R989 IonicContact OD2-CZ 3.61Å; D987-R989 IonicContact OD2-NE 3.51Å; D987-R989 PolarHBondContact OD2-NE 3.11Å; D987-R989 IonicContact OD2-NH2 2.99Å; D987-R989 PolarHBondContact OD2-NH2 2.78Å; R989-R992 PolarHBondContact O-N 3.25Å; R989-T993 WeakPolarHBondContact O-CB 3.38Å; R989-T993 WeakPolarHBondContact O-CG2 3.44Å; R989-T993 PolarHBondContact O-N 3.07Å; R989-T993 VanDerWaalsContact O-N 3.16Å; R989-T993 PolarHBondContact O-OG1 3.45Å
990	I	91.2	Very high	89.3	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-49.3	176.7	-58.9	166.9	0	0	0	108.9	F960 L983 L985 D987 M988 R992 T993 F994 Y1004	F960-I990 HydrophobicContact CE1-CG2 3.95Å; F960-I990 HydrophobicContact CZ-CG2 4.26Å; L983-I990 HydrophobicContact CD2-CD1 3.71Å; L983-I990 HydrophobicContact CD2-CG2 4.34Å; L983-I990 HydrophobicContact CG-CD1 4.26Å; L985-I990 HydrophobicContact CD1-CB 4.24Å; D987-I990 HydrophobicContact CB-CD1 4.06Å; D987-I990 HydrophobicContact CB-CG1 4.32Å; D987-I990 WeakPolarHBondContact O-CB 3.2Å; D987-I990 PolarHBondContact O-N 2.97Å; D987-I990 VanDerWaalsContact O-N 3.08Å; M988-I990 PolarHBondContact O-N 3.16Å; I990-R992 PolarHBondContact O-N 3.18Å; I990-T993 PolarHBondContact O-N 3.33Å; I990-T993 VanDerWaalsContact O-N 3.12Å; I990-F994 HydrophobicContact CG2-CD2 4.14Å; I990-F994 VanDerWaalsContact O-CB 3.31Å; I990-F994 WeakPolarHBondContact O-CB 3.44Å; I990-F994 PolarHBondContact O-N 2.92Å; I990-Y1004 HydrophobicContact CG1-CD2 4.02Å; I990-Y1004 HydrophobicContact CG2-CD2 4.04Å; I990-Y1004 HydrophobicContact CG2-CG 4.24Å
991	A	86.1	Confident	89.3	Confident	23 Å²	23	45.1 Å²	45.1	19%	0.19	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-35.5	179.3	0	0	0	0	0	113.5	L944 L985 M988	L944-A991 HydrophobicContact CD1-CB 4.24Å; L944-A991 HydrophobicContact CD2-CB 4.04Å; L985-A991 HydrophobicContact CD1-CB 3.79Å; L985-A991 HydrophobicContact CD2-CB 4.35Å; M988-A991 PolarHBondContact O-N 3.28Å
992	R	85.8	Confident	89.4	Confident	170 Å²	170	40 Å²	40	64%	0.642	20%	0.2	S	C	*	.	H	α-helix	trans	-81.5	-21.1	-179.6	-64.6	178.9	-162.3	155.9	1.6	114.6	M988 R989 I990	M988-R992 WeakPolarHBondContact O-CG 3.49Å; M988-R992 PolarHBondContact O-N 3.46Å; R989-R992 PolarHBondContact O-N 3.25Å; I990-R992 PolarHBondContact O-N 3.18Å
993	T	93.2	Very high	89.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-117.5	-7.9	-170.1	60.4	0	0	0	0	113.4	R989 I990 C995 L1005	R989-T993 WeakPolarHBondContact O-CB 3.38Å; R989-T993 WeakPolarHBondContact O-CG2 3.44Å; R989-T993 PolarHBondContact O-N 3.07Å; R989-T993 VanDerWaalsContact O-N 3.16Å; R989-T993 PolarHBondContact O-OG1 3.45Å; I990-T993 PolarHBondContact O-N 3.33Å; I990-T993 VanDerWaalsContact O-N 3.12Å; T993-C995 PolarHBondContact O-N 2.83Å; T993-C995 PolarHBondContact O-SG 3.5Å; T993-L1005 HydrophobicContact CG2-CB 4.26Å; T993-L1005 HydrophobicContact CG2-CD1 3.98Å; T993-L1005 HydrophobicContact CG2-CG 4.49Å; T993-L1005 PolarHBondContact OG1-N 3.22Å
994	F	95.3	Very high	90.1	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	18%	0.183	C	C	.	.			trans	-65.9	120.9	178.9	-160.6	-73.1	0	0	0	110.7	R945 F960 I966 I990 F996 A1002 M1003 Y1004 I1014	R945-F994 HydrophobicContact CB-CD1 4.4Å; F960-F994 HydrophobicContact CB-CD1 4.15Å; F960-F994 HydrophobicContact CB-CE1 4.02Å; F960-F994 HydrophobicContact CB-CZ 4.23Å; F960-F994 HydrophobicContact CD1-CB 4.24Å; F960-F994 HydrophobicContact CD1-CD1 4.27Å; F960-F994 AromaticContact CD1-CD2 3.72Å; F960-F994 HydrophobicContact CD1-CD2 3.72Å; F960-F994 HydrophobicContact CD1-CE2 4.13Å; F960-F994 AromaticContact CD1-CG 3.8Å; F960-F994 HydrophobicContact CD1-CG 3.8Å; F960-F994 HydrophobicContact CD2-CE2 4.3Å; F960-F994 AromaticContact CE1-CD2 3.92Å; F960-F994 HydrophobicContact CE1-CD2 3.92Å; F960-F994 HydrophobicContact CE1-CE2 4.41Å; F960-F994 HydrophobicContact CE1-CG 4.34Å; F960-F994 HydrophobicContact CG-CD1 4.39Å; F960-F994 HydrophobicContact CG-CD2 4.14Å; F960-F994 HydrophobicContact CG-CE1 4.37Å; F960-F994 HydrophobicContact CG-CE2 4.08Å; F960-F994 HydrophobicContact CG-CG 4.3Å; F960-F994 HydrophobicContact CG-CZ 4.21Å; F960-F994 HydrophobicContact CZ-CD2 4.48Å; I966-F994 HydrophobicContact CD1-CE2 4.33Å; I966-F994 HydrophobicContact CD1-CZ 3.93Å; I966-F994 HydrophobicContact CG1-CZ 4.47Å; I990-F994 HydrophobicContact CG2-CD2 4.14Å; I990-F994 VanDerWaalsContact O-CB 3.31Å; I990-F994 WeakPolarHBondContact O-CB 3.44Å; I990-F994 PolarHBondContact O-N 2.92Å; F994-F996 HydrophobicContact CD1-CD2 4.32Å; F994-F996 HydrophobicContact CD1-CE2 4.11Å; F994-F996 HydrophobicContact CD1-CZ 4.39Å; F994-F996 HydrophobicContact CE1-CD1 4.02Å; F994-F996 AromaticContact CE1-CD2 3.93Å; F994-F996 HydrophobicContact CE1-CD2 3.93Å; F994-F996 AromaticContact CE1-CE1 3.67Å; F994-F996 HydrophobicContact CE1-CE1 3.67Å; F994-F996 AromaticContact CE1-CE2 3.56Å; F994-F996 HydrophobicContact CE1-CE2 3.56Å; F994-F996 HydrophobicContact CE1-CG 4.14Å; F994-F996 AromaticContact CE1-CZ 3.42Å; F994-F996 HydrophobicContact CE1-CZ 3.42Å; F994-F996 VanDerWaalsContact CE1-CZ 3.42Å; F994-F996 HydrophobicContact CZ-CE1 4.11Å; F994-F996 AromaticContact CZ-CZ 3.99Å; F994-F996 HydrophobicContact CZ-CZ 3.99Å; F994-A1002 HydrophobicContact CE1-CB 4.23Å; F994-A1002 HydrophobicContact CZ-CB 4.32Å; F994-M1003 WeakPolarHBondContact CA-O 3.31Å; F994-Y1004 HydrophobicContact CD2-CD1 4.11Å; F994-Y1004 HydrophobicContact CD2-CG 4.19Å; F994-Y1004 HydrophobicContact CE2-CD1 4.02Å; F994-I1014 HydrophobicContact CE2-CD1 4.26Å; F994-I1014 HydrophobicContact CZ-CD1 3.99Å
995	C	95.8	Very high	91	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.4	179.6	-56.8	0	0	0	0	109.6	C402 T993 A1002 M1003	C402-C995 PolarHBondContact O-SG 3.48Å; C402-C995 VanDerWaalsContact O-SG 3.39Å; T993-C995 PolarHBondContact O-N 2.83Å; T993-C995 PolarHBondContact O-SG 3.5Å; C995-A1002 CarbonylContact O-C 3.58Å; C995-A1002 WeakPolarHBondContact O-CA 3.4Å; C995-A1002 VanDerWaalsContact O-CB 3.23Å; C995-A1002 WeakPolarHBondContact O-CB 3.32Å; C995-M1003 HydrophobicContact CB-CG 4.19Å; C995-M1003 PolarHBondContact N-O 2.7Å; C995-M1003 PolarHBondContact O-N 2.94Å
996	F	97.3	Very high	91.7	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.035	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	150.8	159.8	-67.5	-75.3	0	0	0	109.2	R945 D947 V949 A958 F960 I966 F994 A1002 Y1016	R945-F996 HydrophobicContact CB-CE2 4.49Å; R945-F996 HydrophobicContact CG-CD2 4.07Å; R945-F996 HydrophobicContact CG-CE2 4.43Å; D947-F996 HydrophobicContact CB-CB 3.82Å; D947-F996 HydrophobicContact CB-CD2 4.38Å; V949-F996 HydrophobicContact CG1-CB 4.21Å; A958-F996 HydrophobicContact CB-CB 4.45Å; A958-F996 HydrophobicContact CB-CD1 3.75Å; A958-F996 HydrophobicContact CB-CD2 4.08Å; A958-F996 HydrophobicContact CB-CE1 3.9Å; A958-F996 HydrophobicContact CB-CE2 4.21Å; A958-F996 HydrophobicContact CB-CG 3.85Å; A958-F996 HydrophobicContact CB-CZ 4.13Å; F960-F996 HydrophobicContact CB-CE2 3.9Å; F960-F996 HydrophobicContact CB-CZ 3.96Å; I966-F996 HydrophobicContact CG2-CE1 4.04Å; I966-F996 HydrophobicContact CG2-CZ 4.06Å; F994-F996 HydrophobicContact CD1-CD2 4.32Å; F994-F996 HydrophobicContact CD1-CE2 4.11Å; F994-F996 HydrophobicContact CD1-CZ 4.39Å; F994-F996 HydrophobicContact CE1-CD1 4.02Å; F994-F996 AromaticContact CE1-CD2 3.93Å; F994-F996 HydrophobicContact CE1-CD2 3.93Å; F994-F996 AromaticContact CE1-CE1 3.67Å; F994-F996 HydrophobicContact CE1-CE1 3.67Å; F994-F996 AromaticContact CE1-CE2 3.56Å; F994-F996 HydrophobicContact CE1-CE2 3.56Å; F994-F996 HydrophobicContact CE1-CG 4.14Å; F994-F996 AromaticContact CE1-CZ 3.42Å; F994-F996 HydrophobicContact CE1-CZ 3.42Å; F994-F996 VanDerWaalsContact CE1-CZ 3.42Å; F994-F996 HydrophobicContact CZ-CE1 4.11Å; F994-F996 AromaticContact CZ-CZ 3.99Å; F994-F996 HydrophobicContact CZ-CZ 3.99Å; F996-A1002 HydrophobicContact CD1-CB 3.82Å; F996-A1002 HydrophobicContact CE1-CB 4.28Å; F996-Y1016 HydrophobicContact CD1-CD1 4.39Å; F996-Y1016 AromaticContact CD1-CE1 3.68Å; F996-Y1016 HydrophobicContact CD1-CE1 3.68Å; F996-Y1016 HydrophobicContact CE1-CD1 4.47Å; F996-Y1016 HydrophobicContact CE1-CE1 4.17Å
997	T	95.7	Very high	92.3	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.074	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	178.4	171.5	-160.6	0	0	0	0	110.2	Y404 F405 A406 Q1001 Y1016	Y404-T997 HydrophobicContact CD1-CG2 3.46Å; Y404-T997 VanDerWaalsContact CD1-CG2 3.46Å; Y404-T997 HydrophobicContact CD2-CG2 4.34Å; Y404-T997 HydrophobicContact CE1-CG2 3.51Å; Y404-T997 HydrophobicContact CE2-CG2 4.36Å; Y404-T997 HydrophobicContact CG-CG2 3.91Å; Y404-T997 WeakPolarHBondContact O-CB 3.48Å; Y404-T997 PolarHBondContact O-OG1 3.49Å; F405-T997 WeakPolarHBondContact CA-OG1 3.47Å; A406-T997 HydrophobicContact CB-CG2 3.62Å; A406-T997 PolarHBondContact N-OG1 2.98Å; T997-Q1001 HydrophobicContact CG2-CB 3.62Å; T997-Q1001 PolarHBondContact N-O 3.13Å; T997-Y1016 PolarHBondContact O-OH 2.94Å; T997-Y1016 VanDerWaalsContact O-OH 3.11Å
998	N	94.9	Very high	92.6	Very high	43 Å²	43	27.8 Å²	27.8	23%	0.23	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	165.5	-178.5	-70.1	-21.2	0	0	0	112.4	A406 Q950 G1000 Q1001	A406-N998 HydrophobicContact CB-CB 4.43Å; A406-N998 WeakPolarHBondContact CB-O 3.25Å; Q950-N998 HydrophobicContact CB-CB 4.49Å; Q950-N998 PolarHBondContact N-OD1 2.97Å; N998-G1000 PolarHBondContact O-N 2.83Å; N998-Q1001 PolarHBondContact O-N 3.42Å
999	L	93.9	Very high	92.9	Very high	29 Å²	29	23.7 Å²	23.7	15%	0.152	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	31.6	175.3	-52.9	178.1	0	0	0	113.3	D407 Y447 Q950 Q1001	D407-L999 HydrophobicContact CB-CD1 4.16Å; Y447-L999 HydrophobicContact CD1-CD1 3.49Å; Y447-L999 VanDerWaalsContact CD1-CD1 3.49Å; Y447-L999 HydrophobicContact CD2-CD1 4Å; Y447-L999 HydrophobicContact CE1-CB 4.44Å; Y447-L999 HydrophobicContact CE1-CD1 3.38Å; Y447-L999 HydrophobicContact CE2-CD1 3.86Å; Y447-L999 HydrophobicContact CG-CD1 3.82Å; Q950-L999 PolarHBondContact O-N 3.35Å; L999-Q1001 VanDerWaalsContact C-N 3.33Å; L999-Q1001 PolarHBondContact O-N 3.31Å; L999-Q1001 PolarHBondContact O-NE2 2.99Å
1000	G	94.3	Very high	93	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	21.6	172.1	0	0	0	0	0	114	M951 N998 T1015 Y1016	M951-G1000 WeakPolarHBondContact SD-CA 2.97Å; M951-G1000 PolarHBondContact SD-N 3.45Å; N998-G1000 PolarHBondContact O-N 2.83Å; G1000-T1015 CarbonylContact O-C 3.5Å; G1000-T1015 WeakPolarHBondContact O-CA 3.29Å; G1000-T1015 WeakPolarHBondContact O-CB 3.37Å; G1000-T1015 PolarHBondContact O-OG1 2.85Å; G1000-Y1016 VanDerWaalsContact CA-CZ 3.42Å; G1000-Y1016 VanDerWaalsContact O-CD1 3.22Å; G1000-Y1016 WeakPolarHBondContact O-CD1 3.29Å; G1000-Y1016 WeakPolarHBondContact O-CE1 3.29Å; G1000-Y1016 PolarHBondContact O-N 2.99Å
1001	Q	95.8	Very high	93.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.1	-178.3	-51.6	-54.5	-46.8	0	0	111.8	Y404 T997 N998 L999 T1015 T1020	Y404-Q1001 HydrophobicContact CE1-CB 3.71Å; T997-Q1001 HydrophobicContact CG2-CB 3.62Å; T997-Q1001 PolarHBondContact N-O 3.13Å; N998-Q1001 PolarHBondContact O-N 3.42Å; L999-Q1001 VanDerWaalsContact C-N 3.33Å; L999-Q1001 PolarHBondContact O-N 3.31Å; L999-Q1001 PolarHBondContact O-NE2 2.99Å; Q1001-T1015 PolarHBondContact NE2-OG1 2.86Å; Q1001-T1020 PolarHBondContact NE2-OG1 3.03Å
1002	A	96.8	Very high	93.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.7	171.4	0	0	0	0	0	111.4	F994 C995 F996 I1014 Y1016	F994-A1002 HydrophobicContact CE1-CB 4.23Å; F994-A1002 HydrophobicContact CZ-CB 4.32Å; C995-A1002 CarbonylContact O-C 3.58Å; C995-A1002 WeakPolarHBondContact O-CA 3.4Å; C995-A1002 VanDerWaalsContact O-CB 3.23Å; C995-A1002 WeakPolarHBondContact O-CB 3.32Å; F996-A1002 HydrophobicContact CD1-CB 3.82Å; F996-A1002 HydrophobicContact CE1-CB 4.28Å; A1002-I1014 HydrophobicContact CB-CD1 3.97Å; A1002-I1014 HydrophobicContact CB-CG1 3.63Å; A1002-I1014 PolarHBondContact N-O 2.99Å; A1002-I1014 PolarHBondContact O-N 3.03Å; A1002-Y1016 HydrophobicContact CB-CD1 4.49Å; A1002-Y1016 HydrophobicContact CB-CE1 4.24Å
1003	M	95.9	Very high	94	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.5	175.9	71	168	-155.7	0	0	112.1	C402 Y404 I451 F994 C995 I1011 Q1012 R1013	C402-M1003 HydrophobicContact CB-CE 3.43Å; C402-M1003 VanDerWaalsContact CB-CE 3.43Å; Y404-M1003 HydrophobicContact CD1-CB 4.15Å; Y404-M1003 HydrophobicContact CD1-CG 3.76Å; Y404-M1003 HydrophobicContact CD1-SD 4.25Å; Y404-M1003 HydrophobicContact CD2-SD 4.48Å; Y404-M1003 HydrophobicContact CE1-CB 4.37Å; Y404-M1003 HydrophobicContact CE1-CG 4.43Å; Y404-M1003 HydrophobicContact CG-CG 4.06Å; Y404-M1003 HydrophobicContact CG-SD 4Å; I451-M1003 HydrophobicContact CB-SD 4.46Å; I451-M1003 HydrophobicContact CD1-SD 3.56Å; I451-M1003 VanDerWaalsContact CD1-SD 3.56Å; I451-M1003 HydrophobicContact CG1-CE 4.49Å; I451-M1003 HydrophobicContact CG1-SD 3.69Å; I451-M1003 HydrophobicContact CG2-CE 3.85Å; I451-M1003 HydrophobicContact CG2-SD 3.96Å; F994-M1003 WeakPolarHBondContact CA-O 3.31Å; C995-M1003 HydrophobicContact CB-CG 4.19Å; C995-M1003 PolarHBondContact N-O 2.7Å; C995-M1003 PolarHBondContact O-N 2.94Å; M1003-I1011 HydrophobicContact CB-CG2 4.25Å; M1003-I1011 HydrophobicContact SD-CG2 4.18Å; M1003-Q1012 VanDerWaalsContact CA-O 3.3Å; M1003-Q1012 WeakPolarHBondContact CA-O 3.44Å; M1003-R1013 HydrophobicContact CB-CG 4.17Å
1004	Y	95.2	Very high	94.1	Very high	7 Å²	7	10.4 Å²	10.4	3%	0.027	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	159.4	169.1	61.3	-81.8	0	0	0	110.4	Y982 L983 I990 F994 C1006 Q1012 I1014	Y982-Y1004 AromaticContact CE1-CE1 3.91Å; Y982-Y1004 HydrophobicContact CE1-CE1 3.91Å; Y982-Y1004 PolarHBondContact OH-OH 3.12Å; L983-Y1004 HydrophobicContact CD2-CD2 4.25Å; L983-Y1004 HydrophobicContact CD2-CE1 4.37Å; L983-Y1004 HydrophobicContact CD2-CE2 3.51Å; I990-Y1004 HydrophobicContact CG1-CD2 4.02Å; I990-Y1004 HydrophobicContact CG2-CD2 4.04Å; I990-Y1004 HydrophobicContact CG2-CG 4.24Å; F994-Y1004 HydrophobicContact CD2-CD1 4.11Å; F994-Y1004 HydrophobicContact CD2-CG 4.19Å; F994-Y1004 HydrophobicContact CE2-CD1 4.02Å; Y1004-C1006 HydrophobicContact CD2-CB 4.15Å; Y1004-C1006 HydrophobicContact CE2-CB 3.62Å; Y1004-C1006 PolarHBondContact O-N 2.8Å; Y1004-Q1012 HydrophobicContact CD1-CB 4.35Å; Y1004-Q1012 HydrophobicContact CD2-CB 4.49Å; Y1004-Q1012 HydrophobicContact CE1-CB 3.85Å; Y1004-Q1012 HydrophobicContact CE1-CG 3.74Å; Y1004-Q1012 HydrophobicContact CE2-CB 4.05Å; Y1004-Q1012 HydrophobicContact CE2-CG 4.49Å; Y1004-Q1012 PolarHBondContact N-O 3.08Å; Y1004-Q1012 PolarHBondContact O-N 2.59Å; Y1004-I1014 HydrophobicContact CE1-CD1 4.49Å; Y1004-I1014 HydrophobicContact CE1-CG2 4.03Å
1005	L	93.4	Very high	94.1	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.026	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.3	167.5	-91.7	73.6	0	0	0	109.6	V399 T993 E1010 I1011	V399-L1005 HydrophobicContact CB-CD2 3.67Å; V399-L1005 HydrophobicContact CG1-CD1 4.29Å; V399-L1005 HydrophobicContact CG1-CD2 4.05Å; V399-L1005 HydrophobicContact CG2-CD2 3.98Å; T993-L1005 HydrophobicContact CG2-CB 4.26Å; T993-L1005 HydrophobicContact CG2-CD1 3.98Å; T993-L1005 HydrophobicContact CG2-CG 4.49Å; T993-L1005 PolarHBondContact OG1-N 3.22Å; L1005-E1010 WeakPolarHBondContact CA-O 3.39Å; L1005-I1011 HydrophobicContact CD1-CD1 4.4Å; L1005-I1011 HydrophobicContact CD1-CG1 3.75Å; L1005-I1011 HydrophobicContact CG-CG1 4.13Å
1006	C	91.8	Very high	94.1	Very high	33 Å²	33	10.1 Å²	10.1	22%	0.223	6%	0.058	C	C	.	.	S	Bend	trans	-86	-13.9	177.6	61.6	0	0	0	0	113	Y1004 E1010 Q1012	Y1004-C1006 HydrophobicContact CD2-CB 4.15Å; Y1004-C1006 HydrophobicContact CE2-CB 3.62Å; Y1004-C1006 PolarHBondContact O-N 2.8Å; C1006-E1010 PolarHBondContact N-O 3.26Å; C1006-E1010 VanDerWaalsContact N-O 3.08Å; C1006-Q1012 HydrophobicContact CB-CB 3.99Å
1007	S	91.1	Very high	94	Very high	7 Å²	7	10 Å²	10	5%	0.049	6%	0.058	C	C	.	.	S	Bend	trans	-150.5	172.8	172.9	82.7	0	0	0	0	107.7	T1009 E1010	S1007-T1009 PolarHBondContact O-N 3.47Å; S1007-T1009 VanDerWaalsContact O-N 3.12Å; S1007-T1009 PolarHBondContact OG-N 3.35Å; S1007-T1009 PolarHBondContact OG-OG1 3.11Å; S1007-E1010 WeakPolarHBondContact OG-CB 3.22Å; S1007-E1010 PolarHBondContact OG-N 2.88Å
1008	P	88.3	Confident	93.9	Very high	40 Å²	40	12.2 Å²	12.2	26%	0.26	7%	0.068	S	C	.	.	S	Bend	trans	-68.6	-8.6	176.4	23.5	-19	0	0	0	112.8
1009	T	89.5	Confident	93.8	Very high	7 Å²	7	15 Å²	15	4%	0.043	8%	0.079	C	C	.	.	S	Bend	trans	-122.3	-6.5	-172.2	68.1	0	0	0	0	113.5	G55 F56 H395 S1007	G55-T1009 WeakPolarHBondContact CA-O 3.36Å; F56-T1009 PolarHBondContact N-O 3.01Å; F56-T1009 WeakPolarHBondContact O-CB 3.47Å; F56-T1009 PolarHBondContact O-OG1 3.38Å; H395-T1009 WeakPolarHBondContact CE1-CB 3.4Å; H395-T1009 WeakPolarHBondContact CE1-CG2 3.25Å; H395-T1009 WeakPolarHBondContact NE2-CG2 3.37Å; S1007-T1009 PolarHBondContact O-N 3.47Å; S1007-T1009 VanDerWaalsContact O-N 3.12Å; S1007-T1009 PolarHBondContact OG-N 3.35Å; S1007-T1009 PolarHBondContact OG-OG1 3.11Å
1010	E	92.1	Very high	93.6	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.047	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.3	-173.4	-61.1	178.5	100.2	0	0	113.1	R53 H54 F56 H58 R82 L1005 C1006 S1007	R53-E1010 WeakPolarHBondContact CD-OE1 3.49Å; R53-E1010 HydrophobicContact CG-CB 4.16Å; H54-E1010 CarbonylContact O-C 3.5Å; H54-E1010 WeakPolarHBondContact O-CA 3.44Å; H54-E1010 WeakPolarHBondContact O-CB 3.46Å; F56-E1010 WeakPolarHBondContact O-CG 3.25Å; H58-E1010 PolarHBondContact N-OE2 3.29Å; R82-E1010 IonicContact CZ-OE1 3.95Å; R82-E1010 IonicContact NH1-OE1 3.63Å; R82-E1010 PolarHBondContact NH1-OE1 3.34Å; L1005-E1010 WeakPolarHBondContact CA-O 3.39Å; C1006-E1010 PolarHBondContact N-O 3.26Å; C1006-E1010 VanDerWaalsContact N-O 3.08Å; S1007-E1010 WeakPolarHBondContact OG-CB 3.22Å; S1007-E1010 PolarHBondContact OG-N 2.88Å
1011	I	94	Very high	93.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.1	171	-62.4	173.9	0	0	0	108.4	R53 H54 I394 M1003 L1005	R53-I1011 CarbonylContact C-O 3.59Å; R53-I1011 VanDerWaalsContact CA-O 3.31Å; R53-I1011 WeakPolarHBondContact CA-O 3.37Å; R53-I1011 WeakPolarHBondContact CG-O 3.34Å; H54-I1011 PolarHBondContact N-O 3.43Å; H54-I1011 PolarHBondContact O-N 3.12Å; I394-I1011 HydrophobicContact CD1-CB 4.36Å; I394-I1011 HydrophobicContact CD1-CD1 3.9Å; I394-I1011 HydrophobicContact CD1-CG1 3.85Å; I394-I1011 HydrophobicContact CG2-CD1 4.08Å; I394-I1011 HydrophobicContact CG2-CG1 4.4Å; M1003-I1011 HydrophobicContact CB-CG2 4.25Å; M1003-I1011 HydrophobicContact SD-CG2 4.18Å; L1005-I1011 HydrophobicContact CD1-CD1 4.4Å; L1005-I1011 HydrophobicContact CD1-CG1 3.75Å; L1005-I1011 HydrophobicContact CG-CG1 4.13Å
1012	Q	94.6	Very high	93.2	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.019	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.3	168.2	-178.7	66.1	69.8	0	0	109.1	V52 M1003 Y1004 C1006 I1014	V52-Q1012 PolarHBondContact O-NE2 3.01Å; V52-Q1012 VanDerWaalsContact O-NE2 3.1Å; M1003-Q1012 VanDerWaalsContact CA-O 3.3Å; M1003-Q1012 WeakPolarHBondContact CA-O 3.44Å; Y1004-Q1012 HydrophobicContact CD1-CB 4.35Å; Y1004-Q1012 HydrophobicContact CD2-CB 4.49Å; Y1004-Q1012 HydrophobicContact CE1-CB 3.85Å; Y1004-Q1012 HydrophobicContact CE1-CG 3.74Å; Y1004-Q1012 HydrophobicContact CE2-CB 4.05Å; Y1004-Q1012 HydrophobicContact CE2-CG 4.49Å; Y1004-Q1012 PolarHBondContact N-O 3.08Å; Y1004-Q1012 PolarHBondContact O-N 2.59Å; C1006-Q1012 HydrophobicContact CB-CB 3.99Å; Q1012-I1014 HydrophobicContact CG-CG2 4.08Å
1013	R	94.7	Very high	92.8	Very high	6 Å²	6	24.4 Å²	24.4	2%	0.023	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.1	165.8	-73.2	172.6	67.5	-164.2	0.6	110.2	T51 V52 H54 Y404 E449 A465 A467 M1003	T51-R1013 PolarHBondContact N-O 3.3Å; T51-R1013 VanDerWaalsContact N-O 3.12Å; T51-R1013 VanDerWaalsContact OG1-C 3.28Å; T51-R1013 VanDerWaalsContact OG1-CB 3.22Å; T51-R1013 WeakPolarHBondContact OG1-CB 3.43Å; T51-R1013 PolarHBondContact OG1-O 3.08Å; V52-R1013 HydrophobicContact CG1-CB 4.03Å; V52-R1013 HydrophobicContact CG1-CG 4.41Å; V52-R1013 PolarHBondContact O-N 3.28Å; H54-R1013 VanDerWaalsContact NE2-CD 3.25Å; H54-R1013 WeakPolarHBondContact NE2-CD 3.45Å; Y404-R1013 PolarHBondContact OH-NE 3.24Å; Y404-R1013 PolarHBondContact OH-NH2 3.25Å; E449-R1013 IonicContact OE1-NH2 2.62Å; E449-R1013 IonicContact OE2-CZ 2.65Å; E449-R1013 IonicContact OE2-NE 3.58Å; E449-R1013 IonicContact OE2-NH2 3.62Å; E449-R1013 PolarHBondContact OE2-NH2 2.86Å; A465-R1013 VanDerWaalsContact O-CZ 3.27Å; A465-R1013 PolarHBondContact O-NH1 2.95Å; A465-R1013 PolarHBondContact O-NH2 2.74Å; A465-R1013 VanDerWaalsContact O-NH2 3.11Å; A467-R1013 PolarHBondContact O-NH1 3.05Å; A467-R1013 VanDerWaalsContact O-NH1 3.11Å; M1003-R1013 HydrophobicContact CB-CG 4.17Å
1014	I	95.6	Very high	92.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.4	175.7	68.8	-174.7	0	0	0	108.6	L48 C49 K50 I966 Y982 F994 A1002 Y1004 Q1012	L48-I1014 HydrophobicContact CD1-CD1 4.15Å; C49-I1014 WeakPolarHBondContact O-CA 3.48Å; K50-I1014 HydrophobicContact CG-CG2 4.17Å; I966-I1014 HydrophobicContact CD1-CD1 3.89Å; Y982-I1014 HydrophobicContact CE1-CD1 4.27Å; Y982-I1014 WeakPolarHBondContact OH-CG2 3.25Å; F994-I1014 HydrophobicContact CE2-CD1 4.26Å; F994-I1014 HydrophobicContact CZ-CD1 3.99Å; A1002-I1014 HydrophobicContact CB-CD1 3.97Å; A1002-I1014 HydrophobicContact CB-CG1 3.63Å; A1002-I1014 PolarHBondContact N-O 2.99Å; A1002-I1014 PolarHBondContact O-N 3.03Å; Y1004-I1014 HydrophobicContact CE1-CD1 4.49Å; Y1004-I1014 HydrophobicContact CE1-CG2 4.03Å; Q1012-I1014 HydrophobicContact CG-CG2 4.08Å
1015	T	95.4	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.9	166.9	-175	0	0	0	0	109.1	L48 C49 T51 G1000 Q1001 S1017 T1020 C1021	L48-T1015 CarbonylContact C-O 3.55Å; L48-T1015 WeakPolarHBondContact CA-O 3.19Å; C49-T1015 PolarHBondContact N-O 3.02Å; C49-T1015 PolarHBondContact O-N 2.95Å; C49-T1015 WeakPolarHBondContact SG-CG2 3.38Å; T51-T1015 HydrophobicContact CG2-CG2 3.63Å; G1000-T1015 CarbonylContact O-C 3.5Å; G1000-T1015 WeakPolarHBondContact O-CA 3.29Å; G1000-T1015 WeakPolarHBondContact O-CB 3.37Å; G1000-T1015 PolarHBondContact O-OG1 2.85Å; Q1001-T1015 PolarHBondContact NE2-OG1 2.86Å; T1015-S1017 PolarHBondContact OG1-N 2.79Å; T1015-T1020 HydrophobicContact CG2-CG2 3.89Å; T1015-C1021 VanDerWaalsContact CG2-SG 3.52Å
1016	Y	96.1	Very high	91.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	13.1	170.2	55.4	-84.1	0	0	0	111.8	F46 Q47 V949 M951 T968 M978 F996 T997 G1000 A1002	F46-Y1016 VanDerWaalsContact CA-O 3.28Å; F46-Y1016 WeakPolarHBondContact CA-O 3.34Å; F46-Y1016 AromaticContact CD1-CD2 3.93Å; F46-Y1016 HydrophobicContact CD1-CD2 3.93Å; F46-Y1016 HydrophobicContact CE1-CD2 4.07Å; F46-Y1016 HydrophobicContact CE1-CE2 4.36Å; Q47-Y1016 PolarHBondContact N-O 2.93Å; Q47-Y1016 CarbonylContact O-C 3.59Å; Q47-Y1016 VanDerWaalsContact O-C 3.23Å; Q47-Y1016 WeakPolarHBondContact O-CA 3.39Å; V949-Y1016 WeakPolarHBondContact CG2-OH 3.38Å; M951-Y1016 HydrophobicContact CE-CD2 4.39Å; M951-Y1016 HydrophobicContact CE-CE2 4.33Å; M951-Y1016 HydrophobicContact SD-CD2 4.35Å; M951-Y1016 HydrophobicContact SD-CE2 3.72Å; T968-Y1016 HydrophobicContact CG2-CD2 4.06Å; T968-Y1016 HydrophobicContact CG2-CE2 4.19Å; M978-Y1016 HydrophobicContact CE-CD2 4.48Å; M978-Y1016 HydrophobicContact CE-CG 4.28Å; F996-Y1016 HydrophobicContact CD1-CD1 4.39Å; F996-Y1016 AromaticContact CD1-CE1 3.68Å; F996-Y1016 HydrophobicContact CD1-CE1 3.68Å; F996-Y1016 HydrophobicContact CE1-CD1 4.47Å; F996-Y1016 HydrophobicContact CE1-CE1 4.17Å; T997-Y1016 PolarHBondContact O-OH 2.94Å; T997-Y1016 VanDerWaalsContact O-OH 3.11Å; G1000-Y1016 VanDerWaalsContact CA-CZ 3.42Å; G1000-Y1016 VanDerWaalsContact O-CD1 3.22Å; G1000-Y1016 WeakPolarHBondContact O-CD1 3.29Å; G1000-Y1016 WeakPolarHBondContact O-CE1 3.29Å; G1000-Y1016 PolarHBondContact O-N 2.99Å; A1002-Y1016 HydrophobicContact CB-CD1 4.49Å; A1002-Y1016 HydrophobicContact CB-CE1 4.24Å
1017	S	95	Very high	91.3	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.7	171.8	174.2	0	0	0	0	110.6	T1015 E1019 T1020 C1021	T1015-S1017 PolarHBondContact OG1-N 2.79Å; S1017-E1019 VanDerWaalsContact C-N 3.35Å; S1017-E1019 PolarHBondContact O-N 2.93Å; S1017-E1019 PolarHBondContact OG-N 2.98Å; S1017-T1020 PolarHBondContact O-N 3.05Å; S1017-T1020 PolarHBondContact OG-N 3.47Å; S1017-C1021 PolarHBondContact O-N 3.15Å; S1017-C1021 VanDerWaalsContact O-N 3.08Å
1018	Q	94.6	Very high	91	Very high	59 Å²	59	34.5 Å²	34.5	28%	0.276	17%	0.172	S	C	.	.	H	α-helix	trans	-61	-44	175.1	178.1	166.6	-36	0	0	111.7	E44 H45 Q47 T1020 C1021 E1022	E44-Q1018 PolarHBondContact O-OE1 2.83Å; H45-Q1018 PolarHBondContact O-N 2.8Å; Q47-Q1018 HydrophobicContact CB-CB 4.15Å; Q47-Q1018 HydrophobicContact CB-CG 4.5Å; Q1018-T1020 VanDerWaalsContact C-N 3.34Å; Q1018-T1020 PolarHBondContact O-N 3.1Å; Q1018-C1021 PolarHBondContact O-N 3.08Å; Q1018-C1021 VanDerWaalsContact O-N 3.1Å; Q1018-E1022 HydrophobicContact CG-CG 4.36Å; Q1018-E1022 WeakPolarHBondContact CG-OE1 3.28Å; Q1018-E1022 PolarHBondContact NE2-OE1 2.92Å; Q1018-E1022 WeakPolarHBondContact O-CG 3.42Å; Q1018-E1022 PolarHBondContact O-N 3.25Å
1019	E	91.6	Very high	90.9	Very high	101 Å²	101	33.1 Å²	33.1	47%	0.472	17%	0.165	S	C	.	.	H	α-helix	trans	-58.2	-44.8	179.4	-177.8	-177.5	171.5	0	0	111.8	S1017 E1022 N1023	S1017-E1019 VanDerWaalsContact C-N 3.35Å; S1017-E1019 PolarHBondContact O-N 2.93Å; S1017-E1019 PolarHBondContact OG-N 2.98Å; E1019-E1022 PolarHBondContact O-N 3.32Å; E1019-N1023 PolarHBondContact O-N 2.87Å; E1019-N1023 VanDerWaalsContact O-N 3.1Å; E1019-N1023 PolarHBondContact O-ND2 3.32Å
1020	T	90.4	Very high	90.9	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-38.1	176.7	-50.1	0	0	0	0	111.6	Q1001 T1015 S1017 Q1018 E1022 N1023 L1024	Q1001-T1020 PolarHBondContact NE2-OG1 3.03Å; T1015-T1020 HydrophobicContact CG2-CG2 3.89Å; S1017-T1020 PolarHBondContact O-N 3.05Å; S1017-T1020 PolarHBondContact OG-N 3.47Å; Q1018-T1020 VanDerWaalsContact C-N 3.34Å; Q1018-T1020 PolarHBondContact O-N 3.1Å; T1020-E1022 VanDerWaalsContact C-N 3.34Å; T1020-E1022 PolarHBondContact O-N 3Å; T1020-N1023 PolarHBondContact O-N 2.89Å; T1020-L1024 WeakPolarHBondContact O-CB 3.47Å; T1020-L1024 PolarHBondContact O-N 2.92Å
1021	C	91.3	Very high	90.7	Very high	19 Å²	19	36.5 Å²	36.5	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-36.5	176.3	-74.2	0	0	0	0	112.5	Q47 C49 T1015 S1017 Q1018	Q47-C1021 HydrophobicContact CB-CB 4.42Å; Q47-C1021 HydrophobicContact CG-CB 4.39Å; Q47-C1021 PolarHBondContact O-SG 2.62Å; C49-C1021 HydrophobicContact CB-CB 4.32Å; C49-C1021 WeakPolarHBondContact CB-SG 2.84Å; C49-C1021 VanDerWaalsContact SG-CA 3.57Å; C49-C1021 WeakPolarHBondContact SG-CB 3.47Å; C49-C1021 CovalentContact SG-SG 2.07Å; C49-C1021 PolarHBondContact SG-SG 3.22Å; T1015-C1021 VanDerWaalsContact CG2-SG 3.52Å; S1017-C1021 PolarHBondContact O-N 3.15Å; S1017-C1021 VanDerWaalsContact O-N 3.08Å; Q1018-C1021 PolarHBondContact O-N 3.08Å; Q1018-C1021 VanDerWaalsContact O-N 3.1Å
1022	E	90.7	Very high	90.4	Very high	120 Å²	120	37.8 Å²	37.8	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-65.9	-42.6	175.6	-72.1	175.3	-178.6	0	0	111.4	Q1018 E1019 T1020 L1024	Q1018-E1022 HydrophobicContact CG-CG 4.36Å; Q1018-E1022 WeakPolarHBondContact CG-OE1 3.28Å; Q1018-E1022 PolarHBondContact NE2-OE1 2.92Å; Q1018-E1022 WeakPolarHBondContact O-CG 3.42Å; Q1018-E1022 PolarHBondContact O-N 3.25Å; E1019-E1022 PolarHBondContact O-N 3.32Å; T1020-E1022 VanDerWaalsContact C-N 3.34Å; T1020-E1022 PolarHBondContact O-N 3Å; E1022-L1024 PolarHBondContact O-N 3.17Å
1023	N	88.4	Confident	90	Very high	70 Å²	70	38.6 Å²	38.6	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-78.4	-14.9	-179.4	-67.6	-28.4	0	0	0	114.4	E1019 T1020 Q1025 E1026 M1027	E1019-N1023 PolarHBondContact O-N 2.87Å; E1019-N1023 VanDerWaalsContact O-N 3.1Å; E1019-N1023 PolarHBondContact O-ND2 3.32Å; T1020-N1023 PolarHBondContact O-N 2.89Å; N1023-Q1025 PolarHBondContact O-N 3.03Å; N1023-Q1025 VanDerWaalsContact O-N 3.13Å; N1023-E1026 PolarHBondContact O-N 3.13Å; N1023-M1027 PolarHBondContact O-N 2.96Å
1024	L	87.4	Confident	89.2	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-33.9	-175.1	-179.4	56.3	0	0	0	112.8	T51 T1020 E1022 E1026 M1027 L1028	T51-L1024 HydrophobicContact CG2-CD1 4.28Å; T51-L1024 HydrophobicContact CG2-CD2 4.24Å; T1020-L1024 WeakPolarHBondContact O-CB 3.47Å; T1020-L1024 PolarHBondContact O-N 2.92Å; E1022-L1024 PolarHBondContact O-N 3.17Å; L1024-E1026 VanDerWaalsContact C-N 3.27Å; L1024-E1026 PolarHBondContact O-N 3.18Å; L1024-M1027 PolarHBondContact O-N 3.15Å; L1024-L1028 HydrophobicContact CD1-CG 4.24Å; L1024-L1028 HydrophobicContact CG-CD1 4.32Å; L1024-L1028 HydrophobicContact CG-CG 4.43Å; L1024-L1028 VanDerWaalsContact O-CG 3.29Å; L1024-L1028 WeakPolarHBondContact O-CG 3.37Å; L1024-L1028 PolarHBondContact O-N 2.98Å
1025	Q	84.8	Confident	88.7	Confident	92 Å²	92	47.1 Å²	47.1	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-31	178.9	-168.1	67.8	1.8	0	0	112.2	K130 N1023	K130-Q1025 HydrophobicContact CD-CG 4.37Å; K130-Q1025 WeakPolarHBondContact CD-O 3.22Å; K130-Q1025 WeakPolarHBondContact CE-O 3.37Å; K130-Q1025 PolarHBondContact NZ-O 3.48Å; N1023-Q1025 PolarHBondContact O-N 3.03Å; N1023-Q1025 VanDerWaalsContact O-N 3.13Å
1026	E	85.7	Confident	88	Confident	123 Å²	123	54 Å²	54	58%	0.575	28%	0.278	S	S	*	.	H	α-helix	trans	-78.7	-33.5	177.1	-62.6	-172.6	171.2	0	0	112.2	G441 Q442 G443 N1023 L1024	G441-E1026 CarbonylContact C-O 3.58Å; G441-E1026 WeakPolarHBondContact CA-O 3.5Å; Q442-E1026 PolarHBondContact N-O 3.22Å; G443-E1026 PolarHBondContact N-O 3.1Å; G443-E1026 VanDerWaalsContact N-O 3.16Å; N1023-E1026 PolarHBondContact O-N 3.13Å; L1024-E1026 VanDerWaalsContact C-N 3.27Å; L1024-E1026 PolarHBondContact O-N 3.18Å
1027	M	85.4	Confident	87.4	Confident	25 Å²	25	55 Å²	55	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-37.2	175.5	-65.3	176.1	53.3	0	0	112.3	G441 Q445 I468 N1023 L1024 G1029	G441-M1027 WeakPolarHBondContact CA-O 3.47Å; Q445-M1027 HydrophobicContact CG-CE 4.14Å; Q445-M1027 HydrophobicContact CG-SD 4.48Å; I468-M1027 VanDerWaalsContact CD1-C 3.42Å; I468-M1027 HydrophobicContact CD1-CB 3.99Å; I468-M1027 WeakPolarHBondContact CD1-O 3.48Å; I468-M1027 HydrophobicContact CG1-CE 4.3Å; N1023-M1027 PolarHBondContact O-N 2.96Å; L1024-M1027 PolarHBondContact O-N 3.15Å; M1027-G1029 PolarHBondContact O-N 3.27Å
1028	L	85.3	Confident	86.8	Confident	20 Å²	20	57.2 Å²	57.2	11%	0.105	30%	0.299	C	S	.	.	S	Bend	trans	-63.3	134.8	-179.3	-72.1	171	0	0	0	111.6	K130 R131 G441 I468 L1024	K130-L1028 HydrophobicContact CB-CB 4.28Å; K130-L1028 HydrophobicContact CD-CB 4.23Å; K130-L1028 WeakPolarHBondContact CD-O 3.28Å; K130-L1028 WeakPolarHBondContact CE-O 3.42Å; K130-L1028 PolarHBondContact NZ-O 3.5Å; R131-L1028 HydrophobicContact CG-CD1 3.94Å; G441-L1028 WeakPolarHBondContact CA-O 3.25Å; I468-L1028 HydrophobicContact CD1-CD2 4.06Å; L1024-L1028 HydrophobicContact CD1-CG 4.24Å; L1024-L1028 HydrophobicContact CG-CD1 4.32Å; L1024-L1028 HydrophobicContact CG-CG 4.43Å; L1024-L1028 VanDerWaalsContact O-CG 3.29Å; L1024-L1028 WeakPolarHBondContact O-CG 3.37Å; L1024-L1028 PolarHBondContact O-N 2.98Å
1029	G	86.1	Confident	85.8	Confident	11 Å²	11	60.3 Å²	60.3	11%	0.113	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-70.5	163	172.8	0	0	0	0	0	113	N439 M1027	N439-G1029 CarbonylContact O-C 3.52Å; N439-G1029 WeakPolarHBondContact O-CA 2.98Å; M1027-G1029 PolarHBondContact O-N 3.27Å
1030	E	89.1	Confident	84.9	Confident	86 Å²	86	58.7 Å²	58.7	40%	0.402	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-100.5	123.2	175	-68.3	176.2	175.3	0	0	109.1	K130 G438 N439	K130-E1030 HydrophobicContact CG-CG 4.01Å; G438-E1030 CarbonylContact C-O 3.54Å; G438-E1030 WeakPolarHBondContact CA-O 3.28Å; N439-E1030 HydrophobicContact CB-CB 4.46Å; N439-E1030 PolarHBondContact N-O 2.9Å; N439-E1030 PolarHBondContact O-N 3.17Å
1031	L	88.6	Confident	83.9	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	32%	0.321	C	S	.	.	S	Bend	trans	-71.6	-56.8	177	-72.1	166.6	0	0	0	110.2	I71 L83 V89 C91 P132 G438	I71-L1031 HydrophobicContact CD1-CB 4.24Å; I71-L1031 WeakPolarHBondContact CD1-O 3.42Å; I71-L1031 HydrophobicContact CG2-CD2 4.43Å; L83-L1031 HydrophobicContact CB-CD1 4.2Å; L83-L1031 HydrophobicContact CB-CD2 3.88Å; L83-L1031 HydrophobicContact CD1-CD1 4.4Å; L83-L1031 HydrophobicContact CD2-CD1 4.19Å; V89-L1031 HydrophobicContact CG1-CD2 4.01Å; C91-L1031 HydrophobicContact CB-CD1 3.82Å; C91-L1031 HydrophobicContact CB-CD2 4.36Å; C91-L1031 HydrophobicContact CB-CG 4.38Å; P132-L1031 HydrophobicContact CG-CD1 3.81Å; G438-L1031 VanDerWaalsContact CA-O 3.3Å; G438-L1031 WeakPolarHBondContact CA-O 3.11Å
1032	F	87.9	Confident	82.4	Confident	26 Å²	26	63.7 Å²	63.7	11%	0.114	34%	0.344	C	S	.	.			trans	-90.9	133.4	-174.7	-177.9	-94	0	0	0	112	Q69 N109 G111 R128	Q69-F1032 HydrophobicContact CG-CD2 3.98Å; Q69-F1032 HydrophobicContact CG-CE2 4.08Å; N109-F1032 WeakPolarHBondContact O-CE2 3.28Å; N109-F1032 WeakPolarHBondContact O-CZ 3.45Å; G111-F1032 VanDerWaalsContact N-CE2 3.29Å; R128-F1032 HydrophobicContact CG-CD1 3.9Å; R128-F1032 HydrophobicContact CG-CE1 4.42Å; R128-F1032 HydrophobicContact CG-CG 4.21Å
1033	T	85.7	Confident	80.8	Confident	21 Å²	21	64.5 Å²	64.5	13%	0.129	34%	0.342	C	S	.	.			trans	-131.9	146.7	174.6	57	0	0	0	0	109.4	Q69 N439 V1035	Q69-T1033 PolarHBondContact NE2-O 3.16Å; Q69-T1033 PolarHBondContact OE1-O 2.95Å; N439-T1033 HydrophobicContact CB-CG2 4.39Å; N439-T1033 WeakPolarHBondContact ND2-CG2 3.5Å; T1033-V1035 PolarHBondContact O-N 3.49Å
1034	P	77.9	Confident	78.9	Confident	130 Å²	130	63.4 Å²	63.4	84%	0.844	35%	0.347	S	S	*	.			trans	-62.2	109.3	173.9	-21.9	33.8	0	0	0	110.4
1035	V	85.2	Confident	76.9	Confident	56 Å²	56	69.8 Å²	69.8	34%	0.339	38%	0.375	S	S	.	.			trans	-119.3	137.2	176	-179.7	0	0	0	0	107.9	V68 N109 T1033 T1037	V68-V1035 HydrophobicContact CG1-CB 4.18Å; V68-V1035 HydrophobicContact CG1-CG1 3.83Å; N109-V1035 PolarHBondContact ND2-O 3.39Å; N109-V1035 PolarHBondContact OD1-O 3.08Å; T1033-V1035 PolarHBondContact O-N 3.49Å; V1035-T1037 PolarHBondContact O-N 2.99Å
1036	E	81.5	Confident	74.9	Confident	144 Å²	144	73 Å²	73	67%	0.673	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-66.8	128.8	174.2	-71.3	-161.3	-151.2	0	0	110.4	R1109	E1036-R1109 IonicContact OE2-CZ 3.15Å; E1036-R1109 IonicContact OE2-NH1 3.7Å; E1036-R1109 PolarHBondContact OE2-NH1 2.82Å; E1036-R1109 IonicContact OE2-NH2 3.56Å
1037	T	83.7	Confident	73	Confident	21 Å²	21	73.4 Å²	73.4	13%	0.129	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-71	135.3	172	-53.3	0	0	0	0	109	V68 N109 F152 V1035	V68-T1037 HydrophobicContact CG2-CG2 4.49Å; N109-T1037 PolarHBondContact ND2-OG1 2.52Å; F152-T1037 HydrophobicContact CZ-CG2 3.89Å; V1035-T1037 PolarHBondContact O-N 2.99Å
1038	P	81.2	Confident	70.7	Confident	53 Å²	53	75.3 Å²	75.3	34%	0.344	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-51.7	147.5	172.5	-26.7	34.8	0	0	0	111.8	Y355	Y355-P1038 HydrophobicContact CE2-CB 4.38Å; Y355-P1038 WeakPolarHBondContact CE2-O 3.38Å; Y355-P1038 PolarHBondContact OH-O 2.92Å
1039	E	73.2	Confident	68.5	Low	124 Å²	124	79.5 Å²	79.5	58%	0.579	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-66.6	146.2	179	-63.6	-169.8	160.2	0	0	111.2	Y355 R1109	Y355-E1039 VanDerWaalsContact CE2-O 3.27Å; Y355-E1039 WeakPolarHBondContact CE2-O 3.17Å; E1039-R1109 IonicContact OE1-NH2 3.78Å; E1039-R1109 PolarHBondContact OE1-NH2 2.87Å
1040	A	74.1	Confident	66.3	Low	67 Å²	67	87.5 Å²	87.5	55%	0.554	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-66.3	145.6	179.3	0	0	0	0	0	110.8	Y355 N1042	Y355-A1040 HydrophobicContact CE1-CB 3.8Å; Y355-A1040 VanDerWaalsContact CZ-CA 3.49Å; Y355-A1040 PolarHBondContact OH-N 3.31Å; A1040-N1042 PolarHBondContact O-N 3.12Å
1041	P	68.3	Low	63.7	Low	30 Å²	30	85.6 Å²	85.6	20%	0.195	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-62.3	136.8	-180	-18.1	29.9	0	0	0	110.8	Y355 D358 R1043	Y355-P1041 HydrophobicContact CD2-CG 4.41Å; Y355-P1041 HydrophobicContact CG-CG 4.1Å; D358-P1041 HydrophobicContact CB-CB 4.11Å; D358-P1041 HydrophobicContact CB-CG 3.54Å; P1041-R1043 PolarHBondContact O-N 3.05Å; P1041-R1043 VanDerWaalsContact O-N 3.16Å
1042	N	60.2	Low	61.1	Low	112 Å²	112	89.8 Å²	89.8	60%	0.599	52%	0.515	S	S	*	.			trans	-67.2	114.6	-176	-160.8	-18.6	0	0	0	111	A1040 G1044 E1117	A1040-N1042 PolarHBondContact O-N 3.12Å; N1042-G1044 VanDerWaalsContact C-N 3.3Å; N1042-G1044 PolarHBondContact O-N 3.04Å; N1042-E1117 PolarHBondContact ND2-OE1 3.06Å; N1042-E1117 PolarHBondContact OD1-OE1 2.87Å
1043	R	56.5	Low	58.7	Low	138 Å²	138	90.9 Å²	90.9	52%	0.521	53%	0.533	S	S	.	.			trans	-77.9	82.1	175.4	-69.6	-172.6	-178.5	-173.4	4.5	108	E208 P1041 F1045	E208-R1043 IonicContact OE1-NH2 3.94Å; E208-R1043 PolarHBondContact OE1-NH2 2.62Å; P1041-R1043 PolarHBondContact O-N 3.05Å; P1041-R1043 VanDerWaalsContact O-N 3.16Å; R1043-F1045 PolarHBondContact O-N 3.13Å
1044	G	50.2	Low	56.8	Low	47 Å²	47	92 Å²	92	49%	0.485	55%	0.545	S	S	.	.			trans	-38.5	129.4	-173.1	0	0	0	0	0	115.4	N1042 F1046 K1047	N1042-G1044 VanDerWaalsContact C-N 3.3Å; N1042-G1044 PolarHBondContact O-N 3.04Å; G1044-F1046 PolarHBondContact O-N 3.25Å; G1044-K1047 PolarHBondContact O-N 2.83Å
1045	F	44.6	Very low	55.5	Low	137 Å²	137	93.2 Å²	93.2	60%	0.601	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.3	-37.1	-176	-177.6	-99.9	0	0	0	116.1	R1043 K1047 G1048 L1049	R1043-F1045 PolarHBondContact O-N 3.13Å; F1045-K1047 VanDerWaalsContact C-N 3.28Å; F1045-K1047 PolarHBondContact O-N 3.06Å; F1045-G1048 PolarHBondContact O-N 3.26Å; F1045-L1049 HydrophobicContact CE1-CD1 4.46Å; F1045-L1049 HydrophobicContact CZ-CD1 4.44Å
1046	F	43.1	Very low	54.3	Low	158 Å²	158	95.5 Å²	95.5	69%	0.693	56%	0.558	S	S	*	*	H	α-helix	trans	-71.8	-14.4	-176.2	-72.3	-78.9	0	0	0	115.2	G1044 G1048 L1049	G1044-F1046 PolarHBondContact O-N 3.25Å; F1046-G1048 VanDerWaalsContact C-N 3.27Å; F1046-G1048 PolarHBondContact O-N 3.08Å; F1046-L1049 PolarHBondContact O-N 3.41Å
1047	K	44.3	Very low	54.1	Low	132 Å²	132	89.4 Å²	89.4	57%	0.574	53%	0.53	S	S	*	.	H	α-helix	trans	-74.7	-17.4	178.8	-141.3	179	-175.9	-175.7	0	112.8	G1044 F1045 G1051	G1044-K1047 PolarHBondContact O-N 2.83Å; F1045-K1047 VanDerWaalsContact C-N 3.28Å; F1045-K1047 PolarHBondContact O-N 3.06Å; K1047-G1051 VanDerWaalsContact O-O 3.05Å
1048	G	38.3	Very low	54.1	Low	66 Å²	66	92.8 Å²	92.8	68%	0.68	55%	0.547	S	S	*	.	H	α-helix	trans	-85.7	-24.1	174.6	0	0	0	0	0	114.5	F1045 F1046	F1045-G1048 PolarHBondContact O-N 3.26Å; F1046-G1048 VanDerWaalsContact C-N 3.27Å; F1046-G1048 PolarHBondContact O-N 3.08Å
1049	L	39.2	Very low	54.4	Low	107 Å²	107	91.9 Å²	91.9	56%	0.56	54%	0.537	S	S	*	.	H	α-helix	trans	-92.3	-21.2	-170.1	-118.7	92.4	0	0	0	115.1	F1045 F1046	F1045-L1049 HydrophobicContact CE1-CD1 4.46Å; F1045-L1049 HydrophobicContact CZ-CD1 4.44Å; F1046-L1049 PolarHBondContact O-N 3.41Å
1050	F	39.9	Very low	55.1	Low	179 Å²	179	89.6 Å²	89.6	79%	0.785	53%	0.526	S	S	*	.	S	Bend	trans	-136.2	7.7	-172.2	-71.8	-74.6	0	0	0	116.7
1051	G	33.6	Very low	55.8	Low	46 Å²	46	93 Å²	93	47%	0.474	53%	0.531	S	S	.	.	S	Bend	trans	-158.8	135.7	171.8	0	0	0	0	0	109.8	K1047 G1053	K1047-G1051 VanDerWaalsContact O-O 3.05Å; G1051-G1053 VanDerWaalsContact C-N 3.32Å; G1051-G1053 PolarHBondContact O-N 2.98Å
1052	G	35.3	Very low	56.9	Low	92 Å²	92	93 Å²	93	95%	0.948	53%	0.529	S	S	*	.			trans	-52.9	91	-178.8	0	0	0	0	0	112.4
1053	G	37.4	Very low	58.5	Low	48 Å²	48	87.7 Å²	87.7	50%	0.495	50%	0.501	S	S	.	.			trans	-64.5	138.2	175.5	0	0	0	0	0	109.4	G1051 Q1055	G1051-G1053 VanDerWaalsContact C-N 3.32Å; G1051-G1053 PolarHBondContact O-N 2.98Å; G1053-Q1055 PolarHBondContact O-N 3.47Å
1054	A	45.8	Very low	60.1	Low	46 Å²	46	81.3 Å²	81.3	38%	0.38	48%	0.477	S	S	.	.			trans	-55.1	115.7	174.3	0	0	0	0	0	109.2
1055	Q	50.3	Low	62	Low	155 Å²	155	84.7 Å²	84.7	72%	0.724	48%	0.48	S	S	*	.			trans	-55.5	138.2	167.8	-73.1	174.4	-17.6	0	0	108.7	G1053 L1057	G1053-Q1055 PolarHBondContact O-N 3.47Å; Q1055-L1057 PolarHBondContact O-N 3.17Å
1056	S	60.8	Low	64	Low	103 Å²	103	87 Å²	87	72%	0.72	50%	0.498	S	S	*	.			trans	-48.7	127.5	170.8	50.9	0	0	0	0	109.7	D1058	S1056-D1058 PolarHBondContact O-N 3.02Å
1057	L	76.5	Confident	66.2	Low	16 Å²	16	82.5 Å²	82.5	8%	0.084	49%	0.49	C	S	.	.			trans	-82.6	114.4	-178.6	-177.1	76.6	0	0	0	109.2	E208 L225 K226 Q1055 R1059 L1062	E208-L1057 HydrophobicContact CB-CB 4.1Å; E208-L1057 VanDerWaalsContact O-CD2 3.22Å; E208-L1057 WeakPolarHBondContact O-CD2 3.41Å; L225-L1057 HydrophobicContact CD1-CD2 3.96Å; K226-L1057 HydrophobicContact CD-CD1 4.04Å; K226-L1057 HydrophobicContact CG-CD1 3.67Å; Q1055-L1057 PolarHBondContact O-N 3.17Å; L1057-R1059 HydrophobicContact CD2-CG 3.69Å; L1057-R1059 HydrophobicContact CG-CG 4.21Å; L1057-R1059 PolarHBondContact O-N 3.23Å; L1057-R1059 VanDerWaalsContact O-N 3.09Å; L1057-L1062 HydrophobicContact CD1-CD1 3.47Å; L1057-L1062 VanDerWaalsContact CD1-CD1 3.47Å; L1057-L1062 HydrophobicContact CD2-CD1 4.07Å; L1057-L1062 HydrophobicContact CG-CD1 4.02Å
1058	D	83.5	Confident	68.4	Low	93 Å²	93	77.2 Å²	77.2	50%	0.497	47%	0.471	S	S	.	.			trans	-76.3	98.3	165.2	-168.5	-12.8	0	0	0	109.7	S1056 E1060 E1061 L1062	S1056-D1058 PolarHBondContact O-N 3.02Å; D1058-E1060 PolarHBondContact O-N 3.49Å; D1058-E1060 WeakPolarHBondContact OD1-CA 3.35Å; D1058-E1060 VanDerWaalsContact OD1-CB 3.26Å; D1058-E1060 WeakPolarHBondContact OD1-CB 3.36Å; D1058-E1060 PolarHBondContact OD1-N 2.91Å; D1058-E1061 HydrophobicContact CB-CB 4.07Å; D1058-E1061 PolarHBondContact O-N 3.3Å; D1058-E1061 PolarHBondContact OD1-N 3.42Å; D1058-L1062 PolarHBondContact O-N 2.89Å
1059	R	88.4	Confident	70.8	Confident	34 Å²	34	75.6 Å²	75.6	13%	0.128	45%	0.454	C	S	.	.	H	α-helix	trans	-67.4	-24.3	177.1	-69	-174	180	99.5	-5.2	112.2	W156 D203 L1057 L1062 F1063	W156-R1059 VanDerWaalsContact CD1-CB 3.48Å; W156-R1059 HydrophobicContact CG-CB 4.43Å; D203-R1059 IonicContact OD2-CZ 2.69Å; D203-R1059 IonicContact OD2-NH2 3.24Å; D203-R1059 PolarHBondContact OD2-NH2 2.84Å; L1057-R1059 HydrophobicContact CD2-CG 3.69Å; L1057-R1059 HydrophobicContact CG-CG 4.21Å; L1057-R1059 PolarHBondContact O-N 3.23Å; L1057-R1059 VanDerWaalsContact O-N 3.09Å; R1059-L1062 PolarHBondContact O-N 2.68Å; R1059-F1063 HydrophobicContact CB-CD2 3.92Å; R1059-F1063 HydrophobicContact CB-CE2 4.02Å; R1059-F1063 HydrophobicContact CG-CD2 4.41Å; R1059-F1063 HydrophobicContact CG-CE2 4Å; R1059-F1063 WeakPolarHBondContact O-CB 3.27Å; R1059-F1063 WeakPolarHBondContact O-CD2 3.44Å; R1059-F1063 PolarHBondContact O-N 3.04Å
1060	E	87.8	Confident	72.9	Confident	76 Å²	76	77.1 Å²	77.1	36%	0.355	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-40.1	175.1	-170.1	64	-141	0	0	110.7	K155 W156 D1058 L1062 G1064	K155-E1060 WeakPolarHBondContact CE-OE2 3.25Å; K155-E1060 IonicContact NZ-OE2 3.42Å; K155-E1060 PolarHBondContact NZ-OE2 3.37Å; W156-E1060 WeakPolarHBondContact CZ2-OE2 3.4Å; D1058-E1060 PolarHBondContact O-N 3.49Å; D1058-E1060 WeakPolarHBondContact OD1-CA 3.35Å; D1058-E1060 VanDerWaalsContact OD1-CB 3.26Å; D1058-E1060 WeakPolarHBondContact OD1-CB 3.36Å; D1058-E1060 PolarHBondContact OD1-N 2.91Å; E1060-L1062 PolarHBondContact O-N 3.32Å; E1060-G1064 WeakPolarHBondContact O-CA 3.07Å; E1060-G1064 PolarHBondContact O-N 3.16Å; E1060-G1064 WeakPolarHBondContact OE1-CA 3.22Å
1061	E	88.4	Confident	75.1	Confident	139 Å²	139	69.7 Å²	69.7	65%	0.65	43%	0.428	S	S	*	.	H	α-helix	trans	-62.8	-28.5	174.5	-165.4	-173.2	175.2	0	0	112.2	D1058 A1067	D1058-E1061 HydrophobicContact CB-CB 4.07Å; D1058-E1061 PolarHBondContact O-N 3.3Å; D1058-E1061 PolarHBondContact OD1-N 3.42Å; E1061-A1067 WeakPolarHBondContact O-CB 3.48Å
1062	L	91.2	Very high	77.5	Confident	29 Å²	29	70.9 Å²	70.9	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-89.7	-42.6	-179.6	-71	179.4	0	0	0	114.3	L225 K226 L1057 D1058 R1059 E1060	L225-L1062 HydrophobicContact CB-CD1 4.19Å; K226-L1062 HydrophobicContact CG-CD1 4.22Å; L1057-L1062 HydrophobicContact CD1-CD1 3.47Å; L1057-L1062 VanDerWaalsContact CD1-CD1 3.47Å; L1057-L1062 HydrophobicContact CD2-CD1 4.07Å; L1057-L1062 HydrophobicContact CG-CD1 4.02Å; D1058-L1062 PolarHBondContact O-N 2.89Å; R1059-L1062 PolarHBondContact O-N 2.68Å; E1060-L1062 PolarHBondContact O-N 3.32Å
1063	F	93.9	Very high	79.5	Confident	1 Å²	1	77.2 Å²	77.2	0%	0.004	42%	0.424	C	S	.	.	H	α-helix	trans	-107.5	-16	-169.8	-52.6	-34.9	0	0	0	113	W156 Y158 I168 S177 Y179 L225 R1059	W156-F1063 HydrophobicContact CB-CD2 4.1Å; W156-F1063 HydrophobicContact CB-CE2 4.43Å; W156-F1063 HydrophobicContact CD2-CB 3.85Å; W156-F1063 AromaticContact CD2-CD2 3.77Å; W156-F1063 HydrophobicContact CD2-CD2 3.77Å; W156-F1063 HydrophobicContact CD2-CG 4.3Å; W156-F1063 HydrophobicContact CE3-CB 3.77Å; W156-F1063 HydrophobicContact CE3-CD2 4.24Å; W156-F1063 HydrophobicContact CE3-CG 4.43Å; W156-F1063 AromaticContact CG-CD2 3.7Å; W156-F1063 HydrophobicContact CG-CD2 3.7Å; W156-F1063 HydrophobicContact CG-CE2 4.42Å; W156-F1063 VanDerWaalsContact CH2-C 3.46Å; W156-F1063 HydrophobicContact CH2-CB 3.6Å; W156-F1063 WeakPolarHBondContact CH2-O 3.23Å; W156-F1063 HydrophobicContact CZ2-CB 3.72Å; W156-F1063 HydrophobicContact CZ3-CB 3.61Å; Y158-F1063 HydrophobicContact CE1-CE2 4.3Å; Y158-F1063 HydrophobicContact CE1-CZ 4.15Å; I168-F1063 HydrophobicContact CD1-CD1 3.54Å; I168-F1063 HydrophobicContact CD1-CD2 4.36Å; I168-F1063 HydrophobicContact CD1-CE1 3.35Å; I168-F1063 HydrophobicContact CD1-CE2 4.19Å; I168-F1063 HydrophobicContact CD1-CG 4.06Å; I168-F1063 HydrophobicContact CD1-CZ 3.7Å; I168-F1063 HydrophobicContact CG2-CB 4.41Å; I168-F1063 HydrophobicContact CG2-CD2 4.06Å; I168-F1063 HydrophobicContact CG2-CE2 4.49Å; I168-F1063 HydrophobicContact CG2-CG 4.14Å; S177-F1063 WeakPolarHBondContact CB-O 3.45Å; S177-F1063 WeakPolarHBondContact OG-CA 3.4Å; S177-F1063 PolarHBondContact OG-O 3.24Å; Y179-F1063 HydrophobicContact CD1-CD1 4.11Å; Y179-F1063 AromaticContact CD1-CE1 3.92Å; Y179-F1063 HydrophobicContact CD1-CE1 3.92Å; Y179-F1063 AromaticContact CD2-CD1 3.83Å; Y179-F1063 HydrophobicContact CD2-CD1 3.83Å; Y179-F1063 AromaticContact CD2-CE1 3.95Å; Y179-F1063 HydrophobicContact CD2-CE1 3.95Å; Y179-F1063 HydrophobicContact CE1-CE1 4.1Å; Y179-F1063 HydrophobicContact CE2-CD1 4.44Å; Y179-F1063 HydrophobicContact CE2-CE1 4.11Å; Y179-F1063 AromaticContact CG-CD1 3.67Å; Y179-F1063 HydrophobicContact CG-CD1 3.67Å; Y179-F1063 AromaticContact CG-CE1 3.88Å; Y179-F1063 HydrophobicContact CG-CE1 3.88Å; L225-F1063 HydrophobicContact CD1-CZ 4.2Å; L225-F1063 HydrophobicContact CD2-CE1 4.42Å; L225-F1063 HydrophobicContact CD2-CZ 4.04Å; R1059-F1063 HydrophobicContact CB-CD2 3.92Å; R1059-F1063 HydrophobicContact CB-CE2 4.02Å; R1059-F1063 HydrophobicContact CG-CD2 4.41Å; R1059-F1063 HydrophobicContact CG-CE2 4Å; R1059-F1063 WeakPolarHBondContact O-CB 3.27Å; R1059-F1063 WeakPolarHBondContact O-CD2 3.44Å; R1059-F1063 PolarHBondContact O-N 3.04Å
1064	G	89.9	Confident	81.8	Confident	3 Å²	3	79 Å²	79	3%	0.031	43%	0.429	C	S	.	.	S	Bend	trans	-60.8	154.7	176.7	0	0	0	0	0	112.3	E1060 L1066 A1067 A1068	E1060-G1064 WeakPolarHBondContact O-CA 3.07Å; E1060-G1064 PolarHBondContact O-N 3.16Å; E1060-G1064 WeakPolarHBondContact OE1-CA 3.22Å; G1064-L1066 PolarHBondContact O-N 2.97Å; G1064-L1066 VanDerWaalsContact O-N 3.14Å; G1064-A1067 PolarHBondContact O-N 2.83Å; G1064-A1068 WeakPolarHBondContact O-CB 3.31Å; G1064-A1068 PolarHBondContact O-N 3.28Å
1065	E	89.1	Confident	83.9	Confident	118 Å²	118	78.1 Å²	78.1	55%	0.551	42%	0.418	S	S	*	.	H	α-helix	trans	-56.4	-34	-175.3	-175.7	179.4	139.4	0	0	112.7	A1067 G1069 K1070	E1065-A1067 VanDerWaalsContact C-N 3.34Å; E1065-A1067 PolarHBondContact O-N 3.46Å; E1065-G1069 WeakPolarHBondContact O-CA 3.43Å; E1065-G1069 PolarHBondContact O-N 2.75Å; E1065-K1070 HydrophobicContact CG-CG 3.94Å; E1065-K1070 WeakPolarHBondContact OE1-CE 3.37Å; E1065-K1070 IonicContact OE1-NZ 3.18Å; E1065-K1070 PolarHBondContact OE1-NZ 3.27Å; E1065-K1070 WeakPolarHBondContact OE2-CE 3.43Å; E1065-K1070 IonicContact OE2-NZ 3.84Å
1066	L	87.8	Confident	85.8	Confident	186 Å²	186	71.3 Å²	71.3	97%	0.974	39%	0.388	S	S	*	.	H	α-helix	trans	-61.8	-39.4	-178.4	-70	171.5	0	0	0	112.9	G1064	G1064-L1066 PolarHBondContact O-N 2.97Å; G1064-L1066 VanDerWaalsContact O-N 3.14Å
1067	A	88.8	Confident	87.3	Confident	64 Å²	64	72 Å²	72	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-100.5	-39.9	-175.8	0	0	0	0	0	113	E1061 G1064 E1065	E1061-A1067 WeakPolarHBondContact O-CB 3.48Å; G1064-A1067 PolarHBondContact O-N 2.83Å; E1065-A1067 VanDerWaalsContact C-N 3.34Å; E1065-A1067 PolarHBondContact O-N 3.46Å
1068	A	89.9	Confident	87.9	Confident	20 Å²	20	74.1 Å²	74.1	17%	0.165	39%	0.389	C	S	.	.	H	α-helix	trans	-87.5	-18.5	-176.9	0	0	0	0	0	113.4	S177 G178 G1064	S177-A1068 WeakPolarHBondContact OG-CB 3.46Å; G178-A1068 CarbonylContact C-O 3.54Å; G178-A1068 WeakPolarHBondContact CA-O 3.37Å; G1064-A1068 WeakPolarHBondContact O-CB 3.31Å; G1064-A1068 PolarHBondContact O-N 3.28Å
1069	G	88.8	Confident	88.1	Confident	32 Å²	32	73.1 Å²	73.1	33%	0.33	38%	0.384	S	S	.	.			trans	72.8	-178.4	-169.6	0	0	0	0	0	113	G178 E1065	G178-G1069 WeakPolarHBondContact CA-O 3.42Å; G178-G1069 PolarHBondContact N-O 2.76Å; G178-G1069 VanDerWaalsContact N-O 3.09Å; E1065-G1069 WeakPolarHBondContact O-CA 3.43Å; E1065-G1069 PolarHBondContact O-N 2.75Å
1070	K	84.8	Confident	87.6	Confident	140 Å²	140	74.6 Å²	74.6	61%	0.609	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-82.3	136.8	175.6	-68.6	-172.5	-179.4	180	0	111.1	E1065	E1065-K1070 HydrophobicContact CG-CG 3.94Å; E1065-K1070 WeakPolarHBondContact OE1-CE 3.37Å; E1065-K1070 IonicContact OE1-NZ 3.18Å; E1065-K1070 PolarHBondContact OE1-NZ 3.27Å; E1065-K1070 WeakPolarHBondContact OE2-CE 3.43Å; E1065-K1070 IonicContact OE2-NZ 3.84Å
1071	A	86	Confident	86.7	Confident	23 Å²	23	71.7 Å²	71.7	19%	0.19	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-62.3	157.9	166.2	0	0	0	0	0	111.8	L176 R1073	L176-A1071 HydrophobicContact CB-CB 3.35Å; L176-A1071 HydrophobicContact CD1-CB 4.33Å; L176-A1071 HydrophobicContact CG-CB 4.46Å; A1071-R1073 PolarHBondContact O-N 3.46Å
1072	S	82.8	Confident	85.3	Confident	71 Å²	71	70.4 Å²	70.4	50%	0.497	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-61.7	126.1	173	-178.4	0	0	0	0	110.6	S1074 L1075	S1072-S1074 PolarHBondContact O-N 3.42Å; S1072-S1074 VanDerWaalsContact O-N 3.13Å; S1072-S1074 PolarHBondContact OG-N 3.08Å; S1072-S1074 PolarHBondContact OG-OG 3.2Å; S1072-L1075 WeakPolarHBondContact O-CB 3.23Å; S1072-L1075 PolarHBondContact O-N 3.27Å; S1072-L1075 VanDerWaalsContact O-N 3.08Å
1073	R	77.9	Confident	83.5	Confident	224 Å²	224	71.5 Å²	71.5	85%	0.845	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	175.3	-66.1	-175.1	-179.2	-179.1	0.2	113.4	A1071 L1075	A1071-R1073 PolarHBondContact O-N 3.46Å; R1073-L1075 VanDerWaalsContact C-N 3.35Å
1074	S	85.4	Confident	81.2	Confident	85 Å²	85	73.5 Å²	73.5	59%	0.594	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.7	177.2	68.5	0	0	0	0	113.3	N141 S1072	N141-S1074 WeakPolarHBondContact CB-O 3.44Å; N141-S1074 PolarHBondContact ND2-O 3.06Å; S1072-S1074 PolarHBondContact O-N 3.42Å; S1072-S1074 VanDerWaalsContact O-N 3.13Å; S1072-S1074 PolarHBondContact OG-N 3.08Å; S1072-S1074 PolarHBondContact OG-OG 3.2Å
1075	L	89.4	Confident	78.7	Confident	29 Å²	29	79.6 Å²	79.6	15%	0.152	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-44.3	-172.2	178.1	61.5	0	0	0	112.2	N141 E143 L176 S1072 R1073	N141-L1075 PolarHBondContact N-O 2.8Å; E143-L1075 HydrophobicContact CG-CD1 3.74Å; L176-L1075 HydrophobicContact CD1-CB 4.32Å; L176-L1075 HydrophobicContact CD1-CD2 3.9Å; L176-L1075 HydrophobicContact CD1-CG 4.08Å; S1072-L1075 WeakPolarHBondContact O-CB 3.23Å; S1072-L1075 PolarHBondContact O-N 3.27Å; S1072-L1075 VanDerWaalsContact O-N 3.08Å; R1073-L1075 VanDerWaalsContact C-N 3.35Å
1076	A	90.8	Very high	76.2	Confident	12 Å²	12	82.5 Å²	82.5	10%	0.099	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148.4	174.4	0	0	0	0	0	111.4	L138 K139 F140 L176	L138-A1076 HydrophobicContact CD2-CB 4.32Å; K139-A1076 CarbonylContact O-C 3.47Å; K139-A1076 WeakPolarHBondContact O-CA 3.31Å; K139-A1076 WeakPolarHBondContact O-CB 3.42Å; F140-A1076 HydrophobicContact CD1-CB 4.35Å; F140-A1076 HydrophobicContact CD2-CB 4.27Å; F140-A1076 HydrophobicContact CE2-CB 4.46Å; F140-A1076 HydrophobicContact CG-CB 4.21Å; L176-A1076 HydrophobicContact CD1-CB 3.58Å
1077	Q	91	Very high	74	Confident	117 Å²	117	75.2 Å²	75.2	55%	0.547	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.8	174.9	-178.1	178.2	-3	0	0	109.9	L138 K139 I1079	L138-Q1077 WeakPolarHBondContact CA-O 3.3Å; K139-Q1077 PolarHBondContact N-O 3.03Å; K139-Q1077 PolarHBondContact O-N 2.91Å; Q1077-I1079 HydrophobicContact CG-CG1 4.22Å
1078	H	89.8	Confident	71.5	Confident	60 Å²	60	74.8 Å²	74.8	28%	0.278	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.1	168.7	-178.4	-115.8	0	0	0	110.1	H136 S137 L138 F174	H136-H1078 AromaticContact CG-NE2 3.72Å; H136-H1078 AromaticContact ND1-CE1 3.69Å; H136-H1078 AromaticContact ND1-NE2 3.3Å; H136-H1078 PolarHBondContact ND1-NE2 3.19Å; S137-H1078 WeakPolarHBondContact O-CA 3.37Å; L138-H1078 HydrophobicContact CD2-CB 4.08Å; F174-H1078 PolarHBondContact O-CD2 3.37Å
1079	I	87.6	Confident	68.8	Low	73 Å²	73	81 Å²	81	37%	0.374	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.3	178.2	-54.7	169.9	0	0	0	106.8	S137 K139 Q1077	S137-I1079 PolarHBondContact N-O 3.39Å; S137-I1079 PolarHBondContact O-N 3.31Å; K139-I1079 HydrophobicContact CB-CD1 4.31Å; Q1077-I1079 HydrophobicContact CG-CG1 4.22Å
1080	P	77.4	Confident	66.3	Low	65 Å²	65	82 Å²	82	42%	0.422	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	149.1	176.3	29.2	-33.8	0	0	0	111.6	M1088	P1080-M1088 HydrophobicContact CB-CE 3.51Å; P1080-M1088 HydrophobicContact CB-SD 3.32Å; P1080-M1088 WeakPolarHBondContact CB-SD 3.33Å; P1080-M1088 HydrophobicContact CG-SD 4.29Å
1081	G	69.6	Low	64.1	Low	15 Å²	15	77.6 Å²	77.6	16%	0.155	46%	0.455	C	S	.	.			trans	-63.9	170	178.2	0	0	0	0	0	114.7	L135 G1083	L135-G1081 PolarHBondContact O-N 3.42Å; G1081-G1083 PolarHBondContact O-N 3.09Å
1082	P	59.3	Low	61.8	Low	111 Å²	111	77.1 Å²	77.1	72%	0.721	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	0.5	-166.9	-20.9	31.8	0	0	0	117.6	G1084	P1082-G1084 VanDerWaalsContact C-N 3.35Å; P1082-G1084 PolarHBondContact O-N 2.75Å
1083	G	53.8	Low	59.8	Low	52 Å²	52	77.6 Å²	77.6	54%	0.536	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.6	-176.7	0	0	0	0	0	116.3	G1081 G1087	G1081-G1083 PolarHBondContact O-N 3.09Å; G1083-G1087 WeakPolarHBondContact O-CA 3.4Å; G1083-G1087 PolarHBondContact O-N 3.04Å
1084	G	44.2	Very low	58.4	Low	43 Å²	43	68 Å²	68	44%	0.443	43%	0.425	S	S	.	.	H	α-helix	trans	62.7	174.7	-173.4	0	0	0	0	0	113.2	P1082 E1086 G1087 M1088	P1082-G1084 VanDerWaalsContact C-N 3.35Å; P1082-G1084 PolarHBondContact O-N 2.75Å; G1084-E1086 VanDerWaalsContact C-N 3.28Å; G1084-E1086 PolarHBondContact O-N 2.89Å; G1084-G1087 PolarHBondContact O-N 3.39Å; G1084-M1088 WeakPolarHBondContact O-CA 3.45Å; G1084-M1088 WeakPolarHBondContact O-CB 3.3Å; G1084-M1088 PolarHBondContact O-N 2.87Å
1085	I	37.8	Very low	56.8	Low	132 Å²	132	65.2 Å²	65.2	68%	0.677	41%	0.405	S	S	*	.	H	α-helix	trans	-62.1	-29.9	-172.5	-63.8	169.2	0	0	0	113.2	K1089	I1085-K1089 PolarHBondContact O-N 2.82Å; I1085-K1089 VanDerWaalsContact O-N 3.13Å
1086	E	36.7	Very low	55.2	Low	178 Å²	178	65.2 Å²	65.2	83%	0.832	41%	0.406	S	S	*	.	H	α-helix	trans	-82.4	-41.5	179.2	-74	-179.5	159.5	0	0	113.3	G1084 M1088 K1089 G1090	G1084-E1086 VanDerWaalsContact C-N 3.28Å; G1084-E1086 PolarHBondContact O-N 2.89Å; E1086-M1088 VanDerWaalsContact C-N 3.27Å; E1086-M1088 PolarHBondContact O-N 2.84Å; E1086-K1089 PolarHBondContact O-N 2.86Å; E1086-G1090 PolarHBondContact O-N 2.77Å
1087	G	41.8	Very low	53.6	Low	33 Å²	33	65.5 Å²	65.5	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-68.7	-28	169.7	0	0	0	0	0	112.5	G1083 G1084 G1090 A1091	G1083-G1087 WeakPolarHBondContact O-CA 3.4Å; G1083-G1087 PolarHBondContact O-N 3.04Å; G1084-G1087 PolarHBondContact O-N 3.39Å; G1087-G1090 PolarHBondContact O-N 2.85Å; G1087-A1091 VanDerWaalsContact O-CB 3.27Å; G1087-A1091 WeakPolarHBondContact O-CB 3.43Å; G1087-A1091 PolarHBondContact O-N 2.79Å
1088	M	35.7	Very low	52.2	Low	55 Å²	55	63.2 Å²	63.2	27%	0.271	40%	0.402	S	S	.	.	H	α-helix	trans	-70.6	-35.3	173.9	-177.3	170.5	176.6	0	0	112.5	P1080 G1084 E1086 A1092	P1080-M1088 HydrophobicContact CB-CE 3.51Å; P1080-M1088 HydrophobicContact CB-SD 3.32Å; P1080-M1088 WeakPolarHBondContact CB-SD 3.33Å; P1080-M1088 HydrophobicContact CG-SD 4.29Å; G1084-M1088 WeakPolarHBondContact O-CA 3.45Å; G1084-M1088 WeakPolarHBondContact O-CB 3.3Å; G1084-M1088 PolarHBondContact O-N 2.87Å; E1086-M1088 VanDerWaalsContact C-N 3.27Å; E1086-M1088 PolarHBondContact O-N 2.84Å; M1088-A1092 WeakPolarHBondContact O-CA 3Å; M1088-A1092 WeakPolarHBondContact O-CB 3.42Å; M1088-A1092 PolarHBondContact O-N 3.07Å
1089	K	33.6	Very low	50.9	Low	152 Å²	152	61 Å²	61	66%	0.661	39%	0.391	S	S	*	.	H	α-helix	trans	-70	-42.7	170.1	-77.7	-176.2	179	-177.5	0	111.3	I1085 E1086 S1093	I1085-K1089 PolarHBondContact O-N 2.82Å; I1085-K1089 VanDerWaalsContact O-N 3.13Å; E1086-K1089 PolarHBondContact O-N 2.86Å; K1089-S1093 WeakPolarHBondContact O-CB 3.39Å; K1089-S1093 PolarHBondContact O-N 2.77Å; K1089-S1093 VanDerWaalsContact O-N 3.08Å; K1089-S1093 PolarHBondContact O-OG 3.28Å
1090	G	37.3	Very low	49.6	Very low	52 Å²	52	58.9 Å²	58.9	54%	0.536	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-48.9	179.3	0	0	0	0	0	114.4	E1086 G1087 G1094	E1086-G1090 PolarHBondContact O-N 2.77Å; G1087-G1090 PolarHBondContact O-N 2.85Å; G1090-G1094 PolarHBondContact O-N 3.01Å
1091	A	38.9	Very low	48.9	Very low	47 Å²	47	62.3 Å²	62.3	39%	0.388	39%	0.39	S	S	.	.	H	α-helix	trans	-83.3	-39.3	-175.7	0	0	0	0	0	113.3	G1087 V1095	G1087-A1091 VanDerWaalsContact O-CB 3.27Å; G1087-A1091 WeakPolarHBondContact O-CB 3.43Å; G1087-A1091 PolarHBondContact O-N 2.79Å; A1091-V1095 VanDerWaalsContact O-CB 3.26Å; A1091-V1095 WeakPolarHBondContact O-CB 3.11Å; A1091-V1095 VanDerWaalsContact O-CG2 3.29Å; A1091-V1095 WeakPolarHBondContact O-CG2 3.17Å; A1091-V1095 PolarHBondContact O-N 3.31Å
1092	A	36.6	Very low	48.6	Very low	14 Å²	14	63.9 Å²	63.9	12%	0.116	40%	0.402	C	S	.	.	H	α-helix	trans	-80.4	-39.5	178	0	0	0	0	0	112	M1088 G1094 V1096	M1088-A1092 WeakPolarHBondContact O-CA 3Å; M1088-A1092 WeakPolarHBondContact O-CB 3.42Å; M1088-A1092 PolarHBondContact O-N 3.07Å; A1092-G1094 VanDerWaalsContact C-N 3.32Å; A1092-G1094 PolarHBondContact O-N 2.93Å; A1092-V1096 HydrophobicContact CB-CG2 4.3Å; A1092-V1096 WeakPolarHBondContact O-CA 3.24Å; A1092-V1096 WeakPolarHBondContact O-CB 3.19Å; A1092-V1096 VanDerWaalsContact O-CG2 3.23Å; A1092-V1096 WeakPolarHBondContact O-CG2 3.48Å; A1092-V1096 PolarHBondContact O-N 2.76Å
1093	S	41.9	Very low	48.8	Very low	81 Å²	81	60.5 Å²	60.5	57%	0.566	37%	0.374	S	S	*	.	H	α-helix	trans	-71.7	-28.7	175	83.2	0	0	0	0	113	K1089 G1097	K1089-S1093 WeakPolarHBondContact O-CB 3.39Å; K1089-S1093 PolarHBondContact O-N 2.77Å; K1089-S1093 VanDerWaalsContact O-N 3.08Å; K1089-S1093 PolarHBondContact O-OG 3.28Å; S1093-G1097 VanDerWaalsContact O-CA 3.29Å; S1093-G1097 WeakPolarHBondContact O-CA 3.44Å; S1093-G1097 PolarHBondContact O-N 2.78Å
1094	G	48.3	Very low	49.3	Very low	22 Å²	22	62.5 Å²	62.5	23%	0.227	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-61.5	170.4	0	0	0	0	0	111.1	G1090 A1092 G1097 D1098 R1101	G1090-G1094 PolarHBondContact O-N 3.01Å; A1092-G1094 VanDerWaalsContact C-N 3.32Å; A1092-G1094 PolarHBondContact O-N 2.93Å; G1094-G1097 CarbonylContact O-C 3.59Å; G1094-D1098 VanDerWaalsContact O-CB 3.23Å; G1094-D1098 WeakPolarHBondContact O-CB 3.4Å; G1094-D1098 PolarHBondContact O-N 2.91Å; G1094-R1101 PolarHBondContact O-NH2 2.98Å
1095	V	51.3	Low	50.1	Low	27 Å²	27	63.1 Å²	63.1	16%	0.164	37%	0.373	C	S	.	.	H	α-helix	trans	-79.8	-40.2	-171.6	-179.9	0	0	0	0	113.6	A1091 G1097 D1098 L1099	A1091-V1095 VanDerWaalsContact O-CB 3.26Å; A1091-V1095 WeakPolarHBondContact O-CB 3.11Å; A1091-V1095 VanDerWaalsContact O-CG2 3.29Å; A1091-V1095 WeakPolarHBondContact O-CG2 3.17Å; A1091-V1095 PolarHBondContact O-N 3.31Å; V1095-G1097 VanDerWaalsContact C-N 3.29Å; V1095-D1098 PolarHBondContact O-N 3.08Å; V1095-L1099 WeakPolarHBondContact O-CB 3.42Å; V1095-L1099 PolarHBondContact O-N 2.89Å
1096	V	56.6	Low	51.2	Low	28 Å²	28	59.4 Å²	59.4	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-68.8	-35.1	172.2	-176.6	0	0	0	0	109.7	E172 A1092 L1099 A1100	E172-V1096 HydrophobicContact CB-CG1 3.86Å; E172-V1096 HydrophobicContact CG-CG1 4.44Å; E172-V1096 WeakPolarHBondContact O-CG1 3.37Å; A1092-V1096 HydrophobicContact CB-CG2 4.3Å; A1092-V1096 WeakPolarHBondContact O-CA 3.24Å; A1092-V1096 WeakPolarHBondContact O-CB 3.19Å; A1092-V1096 VanDerWaalsContact O-CG2 3.23Å; A1092-V1096 WeakPolarHBondContact O-CG2 3.48Å; A1092-V1096 PolarHBondContact O-N 2.76Å; V1096-L1099 PolarHBondContact O-N 2.88Å; V1096-A1100 VanDerWaalsContact O-CB 3.3Å; V1096-A1100 WeakPolarHBondContact O-CB 3.43Å; V1096-A1100 PolarHBondContact O-N 3.37Å
1097	G	56.5	Low	52.3	Low	18 Å²	18	54.8 Å²	54.8	19%	0.186	34%	0.335	C	S	.	.	H	α-helix	trans	-66.3	-39.8	170.5	0	0	0	0	0	113	S1093 G1094 V1095 R1101	S1093-G1097 VanDerWaalsContact O-CA 3.29Å; S1093-G1097 WeakPolarHBondContact O-CA 3.44Å; S1093-G1097 PolarHBondContact O-N 2.78Å; G1094-G1097 CarbonylContact O-C 3.59Å; V1095-G1097 VanDerWaalsContact C-N 3.29Å; G1097-R1101 VanDerWaalsContact C-CZ 3.48Å; G1097-R1101 VanDerWaalsContact O-CB 3.3Å; G1097-R1101 WeakPolarHBondContact O-CB 3.25Å; G1097-R1101 WeakPolarHBondContact O-CG 3.49Å; G1097-R1101 PolarHBondContact O-N 3.16Å; G1097-R1101 PolarHBondContact O-NH1 3.43Å
1098	D	61.6	Low	53.2	Low	70 Å²	70	57.9 Å²	57.9	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-38.4	174.7	-79.9	-37.5	0	0	0	111.4	G1094 V1095 R1101 A1102	G1094-D1098 VanDerWaalsContact O-CB 3.23Å; G1094-D1098 WeakPolarHBondContact O-CB 3.4Å; G1094-D1098 PolarHBondContact O-N 2.91Å; V1095-D1098 PolarHBondContact O-N 3.08Å; D1098-R1101 PolarHBondContact O-N 2.92Å; D1098-R1101 IonicContact OD1-CZ 3.68Å; D1098-R1101 VanDerWaalsContact OD1-CZ 3.24Å; D1098-R1101 IonicContact OD1-NE 3.89Å; D1098-R1101 PolarHBondContact OD1-NE 2.87Å; D1098-R1101 VanDerWaalsContact OD1-NE 3.15Å; D1098-R1101 IonicContact OD1-NH2 2.75Å; D1098-R1101 PolarHBondContact OD1-NH2 3.1Å; D1098-R1101 IonicContact OD2-NH2 3.79Å; D1098-A1102 WeakPolarHBondContact O-CB 3.39Å; D1098-A1102 PolarHBondContact O-N 2.9Å
1099	L	61.6	Low	54.4	Low	12 Å²	12	60 Å²	60	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-60.7	-51.9	173.6	-176.4	64.5	0	0	0	109.9	L107 E110 E172 V1095 V1096 R1101 A1102 R1103	L107-L1099 HydrophobicContact CD2-CD2 4.01Å; E110-L1099 HydrophobicContact CB-CD1 3.47Å; E110-L1099 VanDerWaalsContact CB-CD1 3.47Å; E110-L1099 HydrophobicContact CG-CD1 3.61Å; E110-L1099 VanDerWaalsContact OE2-CD1 3.32Å; E110-L1099 WeakPolarHBondContact OE2-CD1 3.34Å; E172-L1099 HydrophobicContact CG-CD2 4.4Å; V1095-L1099 WeakPolarHBondContact O-CB 3.42Å; V1095-L1099 PolarHBondContact O-N 2.89Å; V1096-L1099 PolarHBondContact O-N 2.88Å; L1099-R1101 VanDerWaalsContact C-N 3.35Å; L1099-R1101 PolarHBondContact O-N 3.25Å; L1099-A1102 PolarHBondContact O-N 2.89Å; L1099-R1103 VanDerWaalsContact O-CB 3.3Å; L1099-R1103 WeakPolarHBondContact O-CB 3.48Å; L1099-R1103 PolarHBondContact O-N 3.29Å
1100	A	60.7	Low	55.5	Low	30 Å²	30	55 Å²	55	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-40.1	175.4	0	0	0	0	0	112.1	V1096 R1103 I1104	V1096-A1100 VanDerWaalsContact O-CB 3.3Å; V1096-A1100 WeakPolarHBondContact O-CB 3.43Å; V1096-A1100 PolarHBondContact O-N 3.37Å; A1100-R1103 WeakPolarHBondContact O-CB 3.47Å; A1100-R1103 PolarHBondContact O-N 3.48Å; A1100-I1104 WeakPolarHBondContact O-CD1 3.26Å; A1100-I1104 WeakPolarHBondContact O-CG1 3.42Å; A1100-I1104 PolarHBondContact O-N 3.14Å
1101	R	63.3	Low	56.6	Low	136 Å²	136	59 Å²	59	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-45.9	175.5	-80.7	-174.8	-68.5	-87.1	11.1	112.3	G1094 G1097 D1098 L1099 R1103 I1104 A1105	G1094-R1101 PolarHBondContact O-NH2 2.98Å; G1097-R1101 VanDerWaalsContact C-CZ 3.48Å; G1097-R1101 VanDerWaalsContact O-CB 3.3Å; G1097-R1101 WeakPolarHBondContact O-CB 3.25Å; G1097-R1101 WeakPolarHBondContact O-CG 3.49Å; G1097-R1101 PolarHBondContact O-N 3.16Å; G1097-R1101 PolarHBondContact O-NH1 3.43Å; D1098-R1101 PolarHBondContact O-N 2.92Å; D1098-R1101 IonicContact OD1-CZ 3.68Å; D1098-R1101 VanDerWaalsContact OD1-CZ 3.24Å; D1098-R1101 IonicContact OD1-NE 3.89Å; D1098-R1101 PolarHBondContact OD1-NE 2.87Å; D1098-R1101 VanDerWaalsContact OD1-NE 3.15Å; D1098-R1101 IonicContact OD1-NH2 2.75Å; D1098-R1101 PolarHBondContact OD1-NH2 3.1Å; D1098-R1101 IonicContact OD2-NH2 3.79Å; L1099-R1101 VanDerWaalsContact C-N 3.35Å; L1099-R1101 PolarHBondContact O-N 3.25Å; R1101-R1103 VanDerWaalsContact C-N 3.26Å; R1101-R1103 PolarHBondContact O-N 2.97Å; R1101-I1104 PolarHBondContact O-N 3.36Å; R1101-A1105 WeakPolarHBondContact O-CB 3.45Å; R1101-A1105 PolarHBondContact O-N 3.28Å
1102	A	62.1	Low	57.8	Low	49 Å²	49	63.1 Å²	63.1	41%	0.405	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-39.1	177.7	0	0	0	0	0	110.7	D1098 L1099 A1105 L1106	D1098-A1102 WeakPolarHBondContact O-CB 3.39Å; D1098-A1102 PolarHBondContact O-N 2.9Å; L1099-A1102 PolarHBondContact O-N 2.89Å; A1102-A1105 PolarHBondContact O-N 3.03Å; A1102-L1106 WeakPolarHBondContact O-CB 3.36Å; A1102-L1106 PolarHBondContact O-N 2.9Å
1103	R	64.6	Low	58.8	Low	39 Å²	39	65.9 Å²	65.9	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-52.2	173.2	-163.6	81.4	-151.5	142.8	27.1	112	E110 Q153 L1099 A1100 R1101 A1105 L1106 D1107	E110-R1103 IonicContact OE1-NH1 2.6Å; E110-R1103 PolarHBondContact OE1-NH1 3.04Å; Q153-R1103 VanDerWaalsContact CB-CZ 3.45Å; Q153-R1103 PolarHBondContact O-NE 3.46Å; Q153-R1103 PolarHBondContact O-NH1 3.48Å; Q153-R1103 PolarHBondContact O-NH2 3.27Å; L1099-R1103 VanDerWaalsContact O-CB 3.3Å; L1099-R1103 WeakPolarHBondContact O-CB 3.48Å; L1099-R1103 PolarHBondContact O-N 3.29Å; A1100-R1103 WeakPolarHBondContact O-CB 3.47Å; A1100-R1103 PolarHBondContact O-N 3.48Å; R1101-R1103 VanDerWaalsContact C-N 3.26Å; R1101-R1103 PolarHBondContact O-N 2.97Å; R1103-A1105 VanDerWaalsContact C-N 3.33Å; R1103-A1105 PolarHBondContact O-N 2.79Å; R1103-L1106 WeakPolarHBondContact O-CB 3.3Å; R1103-L1106 PolarHBondContact O-N 3.15Å; R1103-L1106 VanDerWaalsContact O-N 3.17Å; R1103-D1107 IonicContact NH2-OD1 2.88Å; R1103-D1107 PolarHBondContact O-N 2.84Å
1104	I	63.6	Low	59.6	Low	94 Å²	94	63.8 Å²	63.8	48%	0.482	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-44.5	178	-68.7	161.9	0	0	0	110.9	A1100 R1101 L1106 D1107 E1108	A1100-I1104 WeakPolarHBondContact O-CD1 3.26Å; A1100-I1104 WeakPolarHBondContact O-CG1 3.42Å; A1100-I1104 PolarHBondContact O-N 3.14Å; R1101-I1104 PolarHBondContact O-N 3.36Å; I1104-L1106 VanDerWaalsContact C-N 3.3Å; I1104-L1106 PolarHBondContact O-N 3.22Å; I1104-D1107 PolarHBondContact O-N 2.89Å; I1104-E1108 HydrophobicContact CG2-CG 4.35Å; I1104-E1108 WeakPolarHBondContact O-CB 3.36Å; I1104-E1108 WeakPolarHBondContact O-CG 3.39Å; I1104-E1108 PolarHBondContact O-N 2.77Å
1105	A	61.6	Low	60.4	Low	57 Å²	57	67.4 Å²	67.4	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-36.6	178.7	0	0	0	0	0	112.6	R1101 A1102 R1103 R1109	R1101-A1105 WeakPolarHBondContact O-CB 3.45Å; R1101-A1105 PolarHBondContact O-N 3.28Å; A1102-A1105 PolarHBondContact O-N 3.03Å; R1103-A1105 VanDerWaalsContact C-N 3.33Å; R1103-A1105 PolarHBondContact O-N 2.79Å; A1105-R1109 WeakPolarHBondContact O-CB 3.39Å; A1105-R1109 PolarHBondContact O-N 2.89Å
1106	L	60.4	Low	60.9	Low	53 Å²	53	71 Å²	71	28%	0.277	38%	0.383	S	S	.	.	H	α-helix	trans	-66.8	-44.9	174.6	-167.8	78.2	0	0	0	111.2	A1102 R1103 I1104 R1109 G1110	A1102-L1106 WeakPolarHBondContact O-CB 3.36Å; A1102-L1106 PolarHBondContact O-N 2.9Å; R1103-L1106 WeakPolarHBondContact O-CB 3.3Å; R1103-L1106 PolarHBondContact O-N 3.15Å; R1103-L1106 VanDerWaalsContact O-N 3.17Å; I1104-L1106 VanDerWaalsContact C-N 3.3Å; I1104-L1106 PolarHBondContact O-N 3.22Å; L1106-R1109 PolarHBondContact O-N 3.19Å; L1106-G1110 PolarHBondContact O-N 3.43Å
1107	D	60.2	Low	61.1	Low	82 Å²	82	74 Å²	74	44%	0.439	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-43.3	178.1	-68.5	-15.8	0	0	0	111.3	R1103 I1104 R1109 G1110 Q1111	R1103-D1107 IonicContact NH2-OD1 2.88Å; R1103-D1107 PolarHBondContact O-N 2.84Å; I1104-D1107 PolarHBondContact O-N 2.89Å; D1107-R1109 PolarHBondContact O-N 3.29Å; D1107-G1110 PolarHBondContact O-N 2.86Å; D1107-Q1111 PolarHBondContact O-N 3.03Å
1108	E	60.6	Low	61.6	Low	97 Å²	97	80.1 Å²	80.1	45%	0.453	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.5	-77.3	-174.7	-169.8	0	0	112.5	I1104 G1110 Q1111 K1112	I1104-E1108 HydrophobicContact CG2-CG 4.35Å; I1104-E1108 WeakPolarHBondContact O-CB 3.36Å; I1104-E1108 WeakPolarHBondContact O-CG 3.39Å; I1104-E1108 PolarHBondContact O-N 2.77Å; E1108-G1110 VanDerWaalsContact C-N 3.35Å; E1108-Q1111 PolarHBondContact O-N 2.9Å; E1108-K1112 WeakPolarHBondContact O-CG 3.44Å; E1108-K1112 PolarHBondContact O-N 3.41Å
1109	R	61.1	Low	62.2	Low	101 Å²	101	85 Å²	85	38%	0.381	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-45.5	174.5	178	178.3	171.8	174.9	-2.2	110.1	E1036 E1039 A1105 L1106 D1107 Q1111 K1112 L1113	E1036-R1109 IonicContact OE2-CZ 3.15Å; E1036-R1109 IonicContact OE2-NH1 3.7Å; E1036-R1109 PolarHBondContact OE2-NH1 2.82Å; E1036-R1109 IonicContact OE2-NH2 3.56Å; E1039-R1109 IonicContact OE1-NH2 3.78Å; E1039-R1109 PolarHBondContact OE1-NH2 2.87Å; A1105-R1109 WeakPolarHBondContact O-CB 3.39Å; A1105-R1109 PolarHBondContact O-N 2.89Å; L1106-R1109 PolarHBondContact O-N 3.19Å; D1107-R1109 PolarHBondContact O-N 3.29Å; R1109-Q1111 PolarHBondContact O-N 2.86Å; R1109-K1112 PolarHBondContact O-N 2.87Å; R1109-L1113 HydrophobicContact CG-CD1 3.73Å; R1109-L1113 WeakPolarHBondContact O-CD1 3.3Å; R1109-L1113 PolarHBondContact O-N 2.97Å
1110	G	57.4	Low	62.6	Low	45 Å²	45	87.1 Å²	87.1	46%	0.464	45%	0.446	S	S	.	.	H	α-helix	trans	-58.1	-44.7	176.9	0	0	0	0	0	112.9	L1106 D1107 E1108 L1113 G1114	L1106-G1110 PolarHBondContact O-N 3.43Å; D1107-G1110 PolarHBondContact O-N 2.86Å; E1108-G1110 VanDerWaalsContact C-N 3.35Å; G1110-L1113 PolarHBondContact O-N 2.93Å; G1110-G1114 PolarHBondContact O-N 3.29Å
1111	Q	59.4	Low	63	Low	137 Å²	137	87.6 Å²	87.6	64%	0.64	45%	0.45	S	S	*	.	H	α-helix	trans	-62.9	-48.5	176.5	-73.7	-179.2	0.2	0	0	112.5	D1107 E1108 R1109 L1113 G1114 E1115	D1107-Q1111 PolarHBondContact O-N 3.03Å; E1108-Q1111 PolarHBondContact O-N 2.9Å; R1109-Q1111 PolarHBondContact O-N 2.86Å; Q1111-L1113 VanDerWaalsContact C-N 3.27Å; Q1111-L1113 PolarHBondContact O-N 3.47Å; Q1111-G1114 PolarHBondContact O-N 3.48Å; Q1111-G1114 VanDerWaalsContact O-N 3.11Å; Q1111-E1115 PolarHBondContact O-N 2.82Å
1112	K	64.6	Low	63.6	Low	134 Å²	134	83.7 Å²	83.7	58%	0.583	45%	0.446	S	S	*	.	H	α-helix	trans	-61.2	-35.7	178.9	-74.4	174	-179.1	163	0	112.7	E1108 R1109 L1116	E1108-K1112 WeakPolarHBondContact O-CG 3.44Å; E1108-K1112 PolarHBondContact O-N 3.41Å; R1109-K1112 PolarHBondContact O-N 2.87Å; K1112-L1116 WeakPolarHBondContact O-CB 3.19Å; K1112-L1116 PolarHBondContact O-N 3.35Å
1113	L	56.7	Low	64.4	Low	71 Å²	71	87.7 Å²	87.7	37%	0.372	46%	0.458	S	S	.	.	H	α-helix	trans	-66.8	-42.7	173.9	-101.7	125.8	0	0	0	111.8	R1109 G1110 Q1111 E1115 L1116 E1117	R1109-L1113 HydrophobicContact CG-CD1 3.73Å; R1109-L1113 WeakPolarHBondContact O-CD1 3.3Å; R1109-L1113 PolarHBondContact O-N 2.97Å; G1110-L1113 PolarHBondContact O-N 2.93Å; Q1111-L1113 VanDerWaalsContact C-N 3.27Å; Q1111-L1113 PolarHBondContact O-N 3.47Å; L1113-E1115 VanDerWaalsContact C-N 3.33Å; L1113-E1115 PolarHBondContact O-N 2.83Å; L1113-L1116 PolarHBondContact O-N 3.03Å; L1113-E1117 PolarHBondContact O-N 3.11Å
1114	G	59.3	Low	64.8	Low	37 Å²	37	92 Å²	92	38%	0.381	48%	0.482	S	S	.	.	H	α-helix	trans	-58.5	-43.2	173.7	0	0	0	0	0	112.8	G1110 Q1111 E1117 E1118	G1110-G1114 PolarHBondContact O-N 3.29Å; Q1111-G1114 PolarHBondContact O-N 3.48Å; Q1111-G1114 VanDerWaalsContact O-N 3.11Å; G1114-E1117 PolarHBondContact O-N 3Å; G1114-E1118 PolarHBondContact O-N 3.22Å
1115	E	65.5	Low	65.8	Low	98 Å²	98	90.5 Å²	90.5	46%	0.458	48%	0.483	S	S	.	.	H	α-helix	trans	-63.8	-40.1	174.9	-69.5	-178.2	-169.4	0	0	112.7	Q1111 L1113 E1117 E1118 R1119	Q1111-E1115 PolarHBondContact O-N 2.82Å; L1113-E1115 VanDerWaalsContact C-N 3.33Å; L1113-E1115 PolarHBondContact O-N 2.83Å; E1115-E1117 VanDerWaalsContact C-N 3.32Å; E1115-E1118 PolarHBondContact O-N 3.3Å; E1115-R1119 WeakPolarHBondContact O-CG 3.34Å; E1115-R1119 PolarHBondContact O-N 3.44Å; E1115-R1119 IonicContact OE2-NH2 3.66Å
1116	L	61.9	Low	66.9	Low	103 Å²	103	91.4 Å²	91.4	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-39.5	177	-179.4	63.7	0	0	0	111.2	K1112 L1113 R1119 T1120	K1112-L1116 WeakPolarHBondContact O-CB 3.19Å; K1112-L1116 PolarHBondContact O-N 3.35Å; L1113-L1116 PolarHBondContact O-N 3.03Å; L1116-R1119 PolarHBondContact O-N 3.37Å; L1116-T1120 WeakPolarHBondContact O-CB 3.48Å; L1116-T1120 PolarHBondContact O-N 3.01Å; L1116-T1120 PolarHBondContact O-OG1 2.91Å
1117	E	59.7	Low	67.9	Low	90 Å²	90	91.6 Å²	91.6	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-44.6	176.2	-173.4	172.4	-166	0	0	111.5	N1042 L1113 G1114 E1115 R1119 T1120 A1121	N1042-E1117 PolarHBondContact ND2-OE1 3.06Å; N1042-E1117 PolarHBondContact OD1-OE1 2.87Å; L1113-E1117 PolarHBondContact O-N 3.11Å; G1114-E1117 PolarHBondContact O-N 3Å; E1115-E1117 VanDerWaalsContact C-N 3.32Å; E1117-R1119 VanDerWaalsContact C-N 3.32Å; E1117-R1119 PolarHBondContact O-N 2.71Å; E1117-T1120 PolarHBondContact O-N 2.86Å; E1117-T1120 VanDerWaalsContact O-N 3.11Å; E1117-A1121 WeakPolarHBondContact O-CB 3.42Å; E1117-A1121 PolarHBondContact O-N 2.74Å
1118	E	68.7	Low	68.9	Low	148 Å²	148	92.6 Å²	92.6	69%	0.692	50%	0.501	S	S	*	.	H	α-helix	trans	-58.8	-43.9	175.4	-171.7	178.8	-174.3	0	0	111.4	G1114 E1115 T1120 A1121 A1122	G1114-E1118 PolarHBondContact O-N 3.22Å; E1115-E1118 PolarHBondContact O-N 3.3Å; E1118-T1120 VanDerWaalsContact C-N 3.35Å; E1118-T1120 PolarHBondContact O-N 2.82Å; E1118-A1121 PolarHBondContact O-N 2.9Å; E1118-A1122 WeakPolarHBondContact O-CB 3.44Å; E1118-A1122 PolarHBondContact O-N 3.04Å
1119	R	73	Confident	70.2	Confident	172 Å²	172	90.7 Å²	90.7	65%	0.649	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-40.1	174.4	-72.6	179.5	-170.4	165.6	10.6	112.3	E1115 L1116 E1117 A1122 M1123	E1115-R1119 WeakPolarHBondContact O-CG 3.34Å; E1115-R1119 PolarHBondContact O-N 3.44Å; E1115-R1119 IonicContact OE2-NH2 3.66Å; L1116-R1119 PolarHBondContact O-N 3.37Å; E1117-R1119 VanDerWaalsContact C-N 3.32Å; E1117-R1119 PolarHBondContact O-N 2.71Å; R1119-A1122 PolarHBondContact O-N 3.49Å; R1119-M1123 WeakPolarHBondContact O-CB 3.26Å; R1119-M1123 PolarHBondContact O-N 3.11Å
1120	T	71	Confident	71.4	Confident	56 Å²	56	93.1 Å²	93.1	34%	0.344	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-41.2	179.4	-57.2	0	0	0	0	111.1	L1116 E1117 E1118 M1123 M1124	L1116-T1120 WeakPolarHBondContact O-CB 3.48Å; L1116-T1120 PolarHBondContact O-N 3.01Å; L1116-T1120 PolarHBondContact O-OG1 2.91Å; E1117-T1120 PolarHBondContact O-N 2.86Å; E1117-T1120 VanDerWaalsContact O-N 3.11Å; E1118-T1120 VanDerWaalsContact C-N 3.35Å; E1118-T1120 PolarHBondContact O-N 2.82Å; T1120-M1123 WeakPolarHBondContact O-CB 3.47Å; T1120-M1123 PolarHBondContact O-N 3.47Å; T1120-M1124 HydrophobicContact CG2-CE 4.29Å; T1120-M1124 PolarHBondContact O-N 3.04Å
1121	A	67.7	Low	72.6	Confident	40 Å²	40	94.5 Å²	94.5	33%	0.331	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-43.2	174.6	0	0	0	0	0	111.6	E1117 E1118 M1123 M1124 A1125	E1117-A1121 WeakPolarHBondContact O-CB 3.42Å; E1117-A1121 PolarHBondContact O-N 2.74Å; E1118-A1121 PolarHBondContact O-N 2.9Å; A1121-M1123 VanDerWaalsContact C-N 3.28Å; A1121-M1123 PolarHBondContact O-N 3.07Å; A1121-M1124 PolarHBondContact O-N 2.8Å; A1121-A1125 WeakPolarHBondContact O-CB 3.47Å; A1121-A1125 PolarHBondContact O-N 2.94Å
1122	A	77.1	Confident	73.9	Confident	54 Å²	54	94.6 Å²	94.6	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-38.1	173.4	0	0	0	0	0	111.9	E1118 R1119 S1126	E1118-A1122 WeakPolarHBondContact O-CB 3.44Å; E1118-A1122 PolarHBondContact O-N 3.04Å; R1119-A1122 PolarHBondContact O-N 3.49Å; A1122-S1126 WeakPolarHBondContact O-CB 3.37Å; A1122-S1126 PolarHBondContact O-N 3.11Å; A1122-S1126 PolarHBondContact O-OG 3.49Å
1123	M	77.3	Confident	75	Confident	133 Å²	133	93.9 Å²	93.9	66%	0.655	51%	0.511	S	S	*	.	H	α-helix	trans	-66.8	-43.5	175.3	-166.1	178.9	81.1	0	0	111.8	R1119 T1120 A1121 S1126 A1127	R1119-M1123 WeakPolarHBondContact O-CB 3.26Å; R1119-M1123 PolarHBondContact O-N 3.11Å; T1120-M1123 WeakPolarHBondContact O-CB 3.47Å; T1120-M1123 PolarHBondContact O-N 3.47Å; A1121-M1123 VanDerWaalsContact C-N 3.28Å; A1121-M1123 PolarHBondContact O-N 3.07Å; M1123-S1126 PolarHBondContact O-N 2.68Å; M1123-A1127 WeakPolarHBondContact O-CB 3.32Å; M1123-A1127 PolarHBondContact O-N 3.29Å
1124	M	75	Confident	76.2	Confident	130 Å²	130	92.5 Å²	92.5	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-61.1	-46.7	174.1	-77.9	-169.2	-161.8	0	0	111.9	T1120 A1121 S1126 A1127 D1128	T1120-M1124 HydrophobicContact CG2-CE 4.29Å; T1120-M1124 PolarHBondContact O-N 3.04Å; A1121-M1124 PolarHBondContact O-N 2.8Å; M1124-S1126 VanDerWaalsContact C-N 3.27Å; M1124-S1126 PolarHBondContact O-N 2.91Å; M1124-A1127 WeakPolarHBondContact O-CB 3.05Å; M1124-A1127 PolarHBondContact O-N 3.37Å; M1124-A1127 VanDerWaalsContact O-N 3.15Å; M1124-D1128 PolarHBondContact O-N 3.47Å
1125	A	83.1	Confident	77.3	Confident	62 Å²	62	95.8 Å²	95.8	51%	0.512	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-38.3	177.4	0	0	0	0	0	111.9	A1121 S1129	A1121-A1125 WeakPolarHBondContact O-CB 3.47Å; A1121-A1125 PolarHBondContact O-N 2.94Å; A1125-S1129 WeakPolarHBondContact O-CB 3.41Å; A1125-S1129 PolarHBondContact O-N 2.83Å
1126	S	84.5	Confident	78.2	Confident	77 Å²	77	95.4 Å²	95.4	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-66.8	-40.4	174.9	-59.9	0	0	0	0	111.9	A1122 M1123 M1124 S1129 F1130	A1122-S1126 WeakPolarHBondContact O-CB 3.37Å; A1122-S1126 PolarHBondContact O-N 3.11Å; A1122-S1126 PolarHBondContact O-OG 3.49Å; M1123-S1126 PolarHBondContact O-N 2.68Å; M1124-S1126 VanDerWaalsContact C-N 3.27Å; M1124-S1126 PolarHBondContact O-N 2.91Å; S1126-S1129 PolarHBondContact O-N 3.41Å; S1126-F1130 WeakPolarHBondContact O-CB 2.81Å; S1126-F1130 PolarHBondContact O-N 2.78Å
1127	A	81.3	Confident	79.1	Confident	57 Å²	57	96.4 Å²	96.4	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-65.2	-41.6	176	0	0	0	0	0	112.1	M1123 M1124 F1130 S1131	M1123-A1127 WeakPolarHBondContact O-CB 3.32Å; M1123-A1127 PolarHBondContact O-N 3.29Å; M1124-A1127 WeakPolarHBondContact O-CB 3.05Å; M1124-A1127 PolarHBondContact O-N 3.37Å; M1124-A1127 VanDerWaalsContact O-N 3.15Å; A1127-F1130 PolarHBondContact O-N 3.17Å; A1127-S1131 VanDerWaalsContact O-CB 3.31Å; A1127-S1131 WeakPolarHBondContact O-CB 3.25Å; A1127-S1131 PolarHBondContact O-N 3.15Å
1128	D	82.7	Confident	80.2	Confident	103 Å²	103	96.4 Å²	96.4	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-63.7	-42.7	174.2	-96.2	-1.4	0	0	0	111.9	M1124 S1131 K1132	M1124-D1128 PolarHBondContact O-N 3.47Å; D1128-S1131 PolarHBondContact O-N 3.18Å; D1128-K1132 WeakPolarHBondContact O-CG 3.47Å; D1128-K1132 PolarHBondContact O-N 2.81Å
1129	S	86.6	Confident	80.8	Confident	56 Å²	56	93 Å²	93	39%	0.392	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-46.3	174.3	-176.7	0	0	0	0	111.2	A1125 S1126 S1131 K1132 H1133	A1125-S1129 WeakPolarHBondContact O-CB 3.41Å; A1125-S1129 PolarHBondContact O-N 2.83Å; S1126-S1129 PolarHBondContact O-N 3.41Å; S1129-S1131 PolarHBondContact O-N 3.28Å; S1129-K1132 PolarHBondContact O-N 3.47Å; S1129-H1133 PolarHBondContact O-N 3.33Å; S1129-H1133 PolarHBondContact O-ND1 3.32Å
1130	F	86.6	Confident	81	Confident	153 Å²	153	92.2 Å²	92.2	67%	0.671	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-43.9	177.2	-178	-95.7	0	0	0	111.9	S1126 A1127 K1132 H1133 A1134	S1126-F1130 WeakPolarHBondContact O-CB 2.81Å; S1126-F1130 PolarHBondContact O-N 2.78Å; A1127-F1130 PolarHBondContact O-N 3.17Å; F1130-K1132 PolarHBondContact O-N 2.9Å; F1130-H1133 PolarHBondContact O-N 3.08Å; F1130-A1134 WeakPolarHBondContact O-CB 3.38Å; F1130-A1134 PolarHBondContact O-N 2.87Å
1131	S	82.5	Confident	80.9	Confident	74 Å²	74	92.2 Å²	92.2	52%	0.517	51%	0.51	S	S	.	.	H	α-helix	trans	-57.5	-46.1	176.2	-179.5	0	0	0	0	111.7	A1127 D1128 S1129 A1134 H1135	A1127-S1131 VanDerWaalsContact O-CB 3.31Å; A1127-S1131 WeakPolarHBondContact O-CB 3.25Å; A1127-S1131 PolarHBondContact O-N 3.15Å; D1128-S1131 PolarHBondContact O-N 3.18Å; S1129-S1131 PolarHBondContact O-N 3.28Å; S1131-A1134 PolarHBondContact O-N 2.73Å; S1131-H1135 WeakPolarHBondContact O-CB 3.45Å; S1131-H1135 PolarHBondContact O-N 3.25Å
1132	K	88	Confident	80.9	Confident	139 Å²	139	97.7 Å²	97.7	60%	0.604	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-46.7	174.9	-72.7	172.5	-177.3	171.4	0	112.1	D1128 S1129 F1130 A1134 H1135 D1136	D1128-K1132 WeakPolarHBondContact O-CG 3.47Å; D1128-K1132 PolarHBondContact O-N 2.81Å; S1129-K1132 PolarHBondContact O-N 3.47Å; F1130-K1132 PolarHBondContact O-N 2.9Å; K1132-A1134 PolarHBondContact O-N 3.38Å; K1132-H1135 WeakPolarHBondContact O-CB 3.4Å; K1132-H1135 PolarHBondContact O-N 2.88Å; K1132-D1136 PolarHBondContact O-N 3.36Å
1133	H	86.1	Confident	80.3	Confident	118 Å²	118	102.1 Å²	102.1	55%	0.546	54%	0.543	S	S	.	.	H	α-helix	trans	-63.1	-40.7	177.8	-77.2	86.5	0	0	0	112.6	S1129 F1130 H1135 D1136 M1137	S1129-H1133 PolarHBondContact O-N 3.33Å; S1129-H1133 PolarHBondContact O-ND1 3.32Å; F1130-H1133 PolarHBondContact O-N 3.08Å; H1133-H1135 VanDerWaalsContact C-N 3.35Å; H1133-D1136 PolarHBondContact O-N 3.21Å; H1133-M1137 VanDerWaalsContact O-CB 3.31Å; H1133-M1137 WeakPolarHBondContact O-CB 3.09Å; H1133-M1137 PolarHBondContact O-N 3.38Å
1134	A	81.8	Confident	79.5	Confident	43 Å²	43	101 Å²	101	36%	0.355	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.1	0	0	0	0	0	111.4	F1130 S1131 K1132 M1137 M1138	F1130-A1134 WeakPolarHBondContact O-CB 3.38Å; F1130-A1134 PolarHBondContact O-N 2.87Å; S1131-A1134 PolarHBondContact O-N 2.73Å; K1132-A1134 PolarHBondContact O-N 3.38Å; A1134-M1137 PolarHBondContact O-N 3.07Å; A1134-M1138 VanDerWaalsContact O-CB 3.25Å; A1134-M1138 WeakPolarHBondContact O-CB 3.43Å; A1134-M1138 PolarHBondContact O-N 3.33Å
1135	H	83.1	Confident	78.6	Confident	106 Å²	106	101.1 Å²	101.1	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-63.8	-46.3	174.5	-169.2	77.4	0	0	0	111.9	S1131 K1132 H1133 M1137 M1138 L1139	S1131-H1135 WeakPolarHBondContact O-CB 3.45Å; S1131-H1135 PolarHBondContact O-N 3.25Å; K1132-H1135 WeakPolarHBondContact O-CB 3.4Å; K1132-H1135 PolarHBondContact O-N 2.88Å; H1133-H1135 VanDerWaalsContact C-N 3.35Å; H1135-M1137 VanDerWaalsContact C-N 3.32Å; H1135-M1137 PolarHBondContact O-N 3.49Å; H1135-M1138 WeakPolarHBondContact ND1-CE 3.31Å; H1135-M1138 WeakPolarHBondContact O-CE 3.29Å; H1135-M1138 PolarHBondContact O-N 3.39Å; H1135-L1139 WeakPolarHBondContact O-CG 3.18Å; H1135-L1139 PolarHBondContact O-N 2.85Å
1136	D	84.1	Confident	77.3	Confident	89 Å²	89	108.8 Å²	108.8	48%	0.476	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-37.7	176.9	-72.9	-14.7	0	0	0	112.1	K1132 H1133 L1139 K1140	K1132-D1136 PolarHBondContact O-N 3.36Å; H1133-D1136 PolarHBondContact O-N 3.21Å; D1136-L1139 PolarHBondContact O-N 3.39Å; D1136-K1140 WeakPolarHBondContact O-CG 3.46Å; D1136-K1140 PolarHBondContact O-N 2.79Å
1137	M	81.1	Confident	76.2	Confident	125 Å²	125	111.7 Å²	111.7	62%	0.616	55%	0.547	S	S	*	.	H	α-helix	trans	-66.5	-43.2	174.8	-169.4	-176.5	-55.2	0	0	111.4	H1133 A1134 H1135 L1139 K1140 C1141	H1133-M1137 VanDerWaalsContact O-CB 3.31Å; H1133-M1137 WeakPolarHBondContact O-CB 3.09Å; H1133-M1137 PolarHBondContact O-N 3.38Å; A1134-M1137 PolarHBondContact O-N 3.07Å; H1135-M1137 VanDerWaalsContact C-N 3.32Å; H1135-M1137 PolarHBondContact O-N 3.49Å; M1137-L1139 VanDerWaalsContact C-N 3.34Å; M1137-L1139 PolarHBondContact O-N 3.41Å; M1137-K1140 PolarHBondContact O-N 3.43Å; M1137-C1141 WeakPolarHBondContact O-CB 3.16Å; M1137-C1141 PolarHBondContact O-N 2.84Å; M1137-C1141 PolarHBondContact O-SG 3.27Å; M1137-C1141 VanDerWaalsContact O-SG 3.33Å
1138	M	83.1	Confident	74.9	Confident	89 Å²	89	115.4 Å²	115.4	44%	0.438	56%	0.555	S	S	.	*	H	α-helix	trans	-61	-42.3	175.5	176.6	-83.2	-42.3	0	0	111.2	A1134 H1135 C1141 K1142	A1134-M1138 VanDerWaalsContact O-CB 3.25Å; A1134-M1138 WeakPolarHBondContact O-CB 3.43Å; A1134-M1138 PolarHBondContact O-N 3.33Å; H1135-M1138 WeakPolarHBondContact ND1-CE 3.31Å; H1135-M1138 WeakPolarHBondContact O-CE 3.29Å; H1135-M1138 PolarHBondContact O-N 3.39Å; M1138-C1141 PolarHBondContact O-N 3.24Å; M1138-K1142 WeakPolarHBondContact O-CB 3.47Å; M1138-K1142 PolarHBondContact O-N 2.96Å
1139	L	80.1	Confident	73.5	Confident	77 Å²	77	120.1 Å²	120.1	40%	0.403	57%	0.571	S	S	.	*	H	α-helix	trans	-61.5	-43.2	172.7	-74.9	168.6	0	0	0	112.1	H1135 D1136 M1137 C1141 K1142	H1135-L1139 WeakPolarHBondContact O-CG 3.18Å; H1135-L1139 PolarHBondContact O-N 2.85Å; D1136-L1139 PolarHBondContact O-N 3.39Å; M1137-L1139 VanDerWaalsContact C-N 3.34Å; M1137-L1139 PolarHBondContact O-N 3.41Å; L1139-C1141 VanDerWaalsContact C-N 3.29Å; L1139-C1141 PolarHBondContact O-N 2.83Å; L1139-K1142 WeakPolarHBondContact O-CB 3.48Å; L1139-K1142 PolarHBondContact O-N 3.09Å
1140	K	77.1	Confident	72.9	Confident	156 Å²	156	123.4 Å²	123.4	68%	0.678	58%	0.58	S	S	*	*	H	α-helix	trans	-65.1	-29.7	176	-75.6	173.9	-178.4	173.6	0	113.5	D1136 M1137	D1136-K1140 WeakPolarHBondContact O-CG 3.46Å; D1136-K1140 PolarHBondContact O-N 2.79Å; M1137-K1140 PolarHBondContact O-N 3.43Å
1141	C	70.5	Confident	72.2	Confident	56 Å²	56	121.8 Å²	121.8	38%	0.378	58%	0.575	S	S	.	*	H	α-helix	trans	-86.1	-20.4	177.5	-68.7	0	0	0	0	113	M1137 M1138 L1139 D1143 K1144	M1137-C1141 WeakPolarHBondContact O-CB 3.16Å; M1137-C1141 PolarHBondContact O-N 2.84Å; M1137-C1141 PolarHBondContact O-SG 3.27Å; M1137-C1141 VanDerWaalsContact O-SG 3.33Å; M1138-C1141 PolarHBondContact O-N 3.24Å; L1139-C1141 VanDerWaalsContact C-N 3.29Å; L1139-C1141 PolarHBondContact O-N 2.83Å; C1141-D1143 VanDerWaalsContact C-N 3.25Å; C1141-D1143 PolarHBondContact O-N 3.47Å; C1141-K1144 PolarHBondContact O-N 3.05Å
1142	K	67.3	Low	71.6	Confident	155 Å²	155	124.4 Å²	124.4	67%	0.674	58%	0.578	S	S	*	*	H	α-helix	trans	-61.2	-31.4	-178.3	-170.3	178.4	176.6	-176.4	0	113.3	M1138 L1139	M1138-K1142 WeakPolarHBondContact O-CB 3.47Å; M1138-K1142 PolarHBondContact O-N 2.96Å; L1139-K1142 WeakPolarHBondContact O-CB 3.48Å; L1139-K1142 PolarHBondContact O-N 3.09Å
1143	D	64.2	Low	70.6	Confident	147 Å²	147	123.6 Å²	123.6	79%	0.786	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	0.1	-179	-62.8	-30.5	0	0	0	113.7	C1141	C1141-D1143 VanDerWaalsContact C-N 3.25Å; C1141-D1143 PolarHBondContact O-N 3.47Å
1144	K	61.2	Low	69.7	Low	110 Å²	110	123.9 Å²	123.9	48%	0.478	58%	0.578	S	S	.	*	S	Bend	trans	-97.1	124.2	178	-70.1	-170.6	176.8	-170	0	110.6	C1141 F1149	C1141-K1144 PolarHBondContact O-N 3.05Å; K1144-F1149 HydrophobicContact CB-CE2 4.48Å; K1144-F1149 HydrophobicContact CD-CZ 4.19Å
1145	K	55.9	Low	68.9	Low	131 Å²	131	129.3 Å²	129.3	57%	0.57	59%	0.593	S	S	*	*			trans	-68.9	139	170.8	-62	-168.8	-175.7	177.7	0	109.1	Y1147 Q1148	K1145-Y1147 HydrophobicContact CB-CD1 4.32Å; K1145-Y1147 HydrophobicContact CB-CD2 4.35Å; K1145-Y1147 HydrophobicContact CB-CE1 3.86Å; K1145-Y1147 HydrophobicContact CB-CE2 3.88Å; K1145-Y1147 HydrophobicContact CD-CE1 4.21Å; K1145-Y1147 HydrophobicContact CD-CE2 4.12Å; K1145-Y1147 WeakPolarHBondContact CD-OH 3.42Å; K1145-Y1147 PolarHBondContact O-N 3.34Å; K1145-Q1148 PolarHBondContact O-N 3.49Å
1146	W	55.5	Low	67.8	Low	223 Å²	223	131 Å²	131	85%	0.845	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-3.7	-171.7	63.8	-85.7	0	0	0	116.9
1147	Y	60.5	Low	66.6	Low	138 Å²	138	134.2 Å²	134.2	54%	0.541	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.5	11.4	178.4	45.6	-100.2	0	0	0	114.1	K1145	K1145-Y1147 HydrophobicContact CB-CD1 4.32Å; K1145-Y1147 HydrophobicContact CB-CD2 4.35Å; K1145-Y1147 HydrophobicContact CB-CE1 3.86Å; K1145-Y1147 HydrophobicContact CB-CE2 3.88Å; K1145-Y1147 HydrophobicContact CD-CE1 4.21Å; K1145-Y1147 HydrophobicContact CD-CE2 4.12Å; K1145-Y1147 WeakPolarHBondContact CD-OH 3.42Å; K1145-Y1147 PolarHBondContact O-N 3.34Å
1148	Q	55	Low	65.4	Low	136 Å²	136	135 Å²	135	64%	0.636	61%	0.609	S	S	*	*			trans	-108.3	26.1	175.3	-73.8	-170.3	-19.3	0	0	113.7	K1145	K1145-Q1148 PolarHBondContact O-N 3.49Å
1149	F	54.1	Low	63.8	Low	202 Å²	202	139.2 Å²	139.2	89%	0.886	63%	0.625	S	S	*	*			trans	-98.6	0	169.2	-80.2	-79.3	0	0	0	111.2	K1144	K1144-F1149 HydrophobicContact CB-CE2 4.48Å; K1144-F1149 HydrophobicContact CD-CZ 4.19Å

Retrieved 1,149 of 1,149 residues in 223.8 ms (Link to these results)

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